USER MOD reduce.3.24.130724 H: found=0, std=0, add=1696, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1692 hydrogens (26 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 89 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.441) USER MOD Set 2.1: A 12 SER OG : rot 64:sc= 1.22 USER MOD Set 2.2: B 15 THR OG1 : rot 117:sc= 0.354 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.057 (180deg=-0.0605) USER MOD Single : A 7 THR OG1 : rot 94:sc= 0.826 USER MOD Single : A 15 THR OG1 : rot 77:sc= 1.29 USER MOD Single : A 18 THR OG1 : rot -137:sc= 0.175 USER MOD Single : A 19 THR OG1 : rot 71:sc= 1.29 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 130:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 0.0149 (180deg=0.0141) USER MOD Single : A 43 THR OG1 : rot 74:sc= 0.719 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 45 GLN : amide:sc= -0.0119 K(o=-0.012,f=-0.59) USER MOD Single : A 48 HIS : no HD1:sc=-0.00789 X(o=-0.0079,f=-0.34) USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0167) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 173:sc= 0 (180deg=-0.0622) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 67 GLN : amide:sc= -0.0358 K(o=-0.036,f=-0.92) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= 0.979 F(o=-0.1,f=0.98) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.552) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 152:sc= 0.533 (180deg=0.192) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ANW OAV : rot 178:sc= 0.419! USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 151:sc= 0.0245 (180deg=-0.106) USER MOD Single : B 7 THR OG1 : rot 93:sc= 0.206 USER MOD Single : B 12 SER OG : rot 58:sc= 0.48 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 83:sc= 1.21 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 160:sc= -0.0476 USER MOD Single : B 34 SER OG : rot -160:sc= 0 USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0177) USER MOD Single : B 43 THR OG1 : rot 87:sc= 0.933 USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 48 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot 9:sc= 1.23 USER MOD Single : B 59 LYS NZ :NH3+ 176:sc= 0.0366 (180deg=0.0342) USER MOD Single : B 60 MET CE :methyl -155:sc= 0 (180deg=-0.104) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : B 69 SER OG : rot -48:sc= 0.339 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 ASN :FLIP amide:sc= 0.839 F(o=0,f=0.84) USER MOD Single : B 76 TYR OH : rot 180:sc= -0.0456 USER MOD Single : B 85 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.4) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc=-0.000407 (180deg=-0.000407) USER MOD Single : B 91 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0126) USER MOD Single : B 94 LYS NZ :NH3+ 161:sc= -0.0413 (180deg=-0.302) USER MOD Single : B 97 LYS NZ :NH3+ 168:sc= -0.335 (180deg=-0.527) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 99 ANW OAV : rot 179:sc= -0.0205! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.636 17.704 7.931 1.00 1.04 N ATOM 2 CA MET A 1 6.349 16.567 7.264 1.00 0.91 C ATOM 3 C MET A 1 6.604 15.363 8.213 1.00 0.73 C ATOM 4 O MET A 1 7.430 14.495 7.899 1.00 0.96 O ATOM 5 CB MET A 1 7.685 17.053 6.646 1.00 1.31 C ATOM 6 CG MET A 1 8.663 17.677 7.647 1.00 1.57 C ATOM 7 SD MET A 1 10.201 18.236 6.888 1.00 2.18 S ATOM 8 CE MET A 1 11.062 18.868 8.325 1.00 2.71 C ATOM 0 H1 MET A 1 5.511 18.482 7.252 1.00 1.04 H new ATOM 0 H2 MET A 1 4.705 17.382 8.264 1.00 1.04 H new ATOM 0 H3 MET A 1 6.197 18.038 8.740 1.00 1.04 H new ATOM 0 HA MET A 1 5.688 16.210 6.475 1.00 0.91 H new ATOM 0 HB2 MET A 1 8.173 16.208 6.160 1.00 1.31 H new ATOM 0 HB3 MET A 1 7.465 17.785 5.869 1.00 1.31 H new ATOM 0 HG2 MET A 1 8.180 18.522 8.138 1.00 1.57 H new ATOM 0 HG3 MET A 1 8.893 16.947 8.423 1.00 1.57 H new ATOM 0 HE1 MET A 1 12.037 19.253 8.025 1.00 2.71 H new ATOM 0 HE2 MET A 1 10.478 19.670 8.776 1.00 2.71 H new ATOM 0 HE3 MET A 1 11.197 18.066 9.050 1.00 2.71 H new ATOM 20 N ALA A 2 5.886 15.295 9.360 1.00 0.77 N ATOM 21 CA ALA A 2 6.048 14.199 10.331 1.00 0.71 C ATOM 22 C ALA A 2 4.874 13.212 10.262 1.00 0.59 C ATOM 23 O ALA A 2 3.778 13.571 9.821 1.00 0.68 O ATOM 24 CB ALA A 2 6.193 14.757 11.745 1.00 1.02 C ATOM 0 H ALA A 2 5.190 15.990 9.631 1.00 0.77 H new ATOM 0 HA ALA A 2 6.957 13.655 10.072 1.00 0.71 H new ATOM 0 HB1 ALA A 2 6.312 13.934 12.450 1.00 1.02 H new ATOM 0 HB2 ALA A 2 7.068 15.405 11.792 1.00 1.02 H new ATOM 0 HB3 ALA A 2 5.303 15.330 12.003 1.00 1.02 H new ATOM 30 N ALA A 3 5.120 11.963 10.708 1.00 0.56 N ATOM 31 CA ALA A 3 4.103 10.905 10.711 1.00 0.54 C ATOM 32 C ALA A 3 3.501 10.737 12.116 1.00 0.55 C ATOM 33 O ALA A 3 4.048 10.006 12.953 1.00 0.70 O ATOM 34 CB ALA A 3 4.706 9.595 10.195 1.00 0.66 C ATOM 0 H ALA A 3 6.025 11.666 11.073 1.00 0.56 H new ATOM 0 HA ALA A 3 3.292 11.189 10.041 1.00 0.54 H new ATOM 0 HB1 ALA A 3 3.943 8.816 10.201 1.00 0.66 H new ATOM 0 HB2 ALA A 3 5.070 9.738 9.178 1.00 0.66 H new ATOM 0 HB3 ALA A 3 5.534 9.297 10.838 1.00 0.66 H new ATOM 40 N GLU A 4 2.374 11.435 12.372 1.00 0.52 N ATOM 41 CA GLU A 4 1.691 11.393 13.678 1.00 0.55 C ATOM 42 C GLU A 4 0.443 10.474 13.621 1.00 0.52 C ATOM 43 O GLU A 4 -0.326 10.552 12.660 1.00 0.50 O ATOM 44 CB GLU A 4 1.290 12.828 14.103 1.00 0.61 C ATOM 45 CG GLU A 4 1.072 13.008 15.605 1.00 0.74 C ATOM 46 CD GLU A 4 0.596 14.404 15.977 1.00 0.86 C ATOM 47 OE1 GLU A 4 1.407 15.352 15.891 1.00 1.02 O ATOM 48 OE2 GLU A 4 -0.585 14.548 16.356 1.00 0.94 O ATOM 0 H GLU A 4 1.918 12.037 11.686 1.00 0.52 H new ATOM 0 HA GLU A 4 2.376 10.980 14.418 1.00 0.55 H new ATOM 0 HB2 GLU A 4 2.066 13.520 13.776 1.00 0.61 H new ATOM 0 HB3 GLU A 4 0.375 13.105 13.580 1.00 0.61 H new ATOM 0 HG2 GLU A 4 0.340 12.277 15.950 1.00 0.74 H new ATOM 0 HG3 GLU A 4 2.004 12.797 16.129 1.00 0.74 H new ATOM 55 N PRO A 5 0.221 9.585 14.646 1.00 0.57 N ATOM 56 CA PRO A 5 -0.947 8.674 14.673 1.00 0.59 C ATOM 57 C PRO A 5 -2.251 9.375 15.112 1.00 0.53 C ATOM 58 O PRO A 5 -2.245 10.154 16.072 1.00 0.59 O ATOM 59 CB PRO A 5 -0.523 7.608 15.695 1.00 0.74 C ATOM 60 CG PRO A 5 0.375 8.327 16.642 1.00 0.73 C ATOM 61 CD PRO A 5 1.088 9.383 15.837 1.00 0.67 C ATOM 0 HA PRO A 5 -1.180 8.276 13.685 1.00 0.59 H new ATOM 0 HB2 PRO A 5 -1.387 7.188 16.210 1.00 0.74 H new ATOM 0 HB3 PRO A 5 -0.006 6.779 15.211 1.00 0.74 H new ATOM 0 HG2 PRO A 5 -0.197 8.778 17.453 1.00 0.73 H new ATOM 0 HG3 PRO A 5 1.088 7.640 17.098 1.00 0.73 H new ATOM 0 HD2 PRO A 5 1.204 10.306 16.406 1.00 0.67 H new ATOM 0 HD3 PRO A 5 2.088 9.057 15.550 1.00 0.67 H new ATOM 69 N LEU A 6 -3.367 9.086 14.404 1.00 0.58 N ATOM 70 CA LEU A 6 -4.681 9.689 14.713 1.00 0.67 C ATOM 71 C LEU A 6 -5.789 8.613 14.766 1.00 0.71 C ATOM 72 O LEU A 6 -6.423 8.435 15.810 1.00 1.19 O ATOM 73 CB LEU A 6 -5.017 10.786 13.676 1.00 0.84 C ATOM 74 CG LEU A 6 -4.027 11.975 13.600 1.00 0.91 C ATOM 75 CD1 LEU A 6 -4.309 12.831 12.367 1.00 1.14 C ATOM 76 CD2 LEU A 6 -4.085 12.831 14.874 1.00 1.03 C ATOM 0 H LEU A 6 -3.382 8.439 13.616 1.00 0.58 H new ATOM 0 HA LEU A 6 -4.628 10.150 15.699 1.00 0.67 H new ATOM 0 HB2 LEU A 6 -5.073 10.322 12.691 1.00 0.84 H new ATOM 0 HB3 LEU A 6 -6.009 11.179 13.900 1.00 0.84 H new ATOM 0 HG LEU A 6 -3.020 11.566 13.517 1.00 0.91 H new ATOM 0 HD11 LEU A 6 -3.603 13.661 12.331 1.00 1.14 H new ATOM 0 HD12 LEU A 6 -4.200 12.223 11.469 1.00 1.14 H new ATOM 0 HD13 LEU A 6 -5.325 13.221 12.420 1.00 1.14 H new ATOM 0 HD21 LEU A 6 -3.379 13.657 14.790 1.00 1.03 H new ATOM 0 HD22 LEU A 6 -5.093 13.227 15.001 1.00 1.03 H new ATOM 0 HD23 LEU A 6 -3.825 12.218 15.737 1.00 1.03 H new ATOM 88 N THR A 7 -6.017 7.908 13.637 1.00 0.52 N ATOM 89 CA THR A 7 -7.034 6.836 13.550 1.00 0.52 C ATOM 90 C THR A 7 -6.333 5.472 13.352 1.00 0.49 C ATOM 91 O THR A 7 -5.131 5.440 13.074 1.00 0.56 O ATOM 92 CB THR A 7 -8.054 7.108 12.388 1.00 0.58 C ATOM 93 OG1 THR A 7 -8.114 8.512 12.092 1.00 0.98 O ATOM 94 CG2 THR A 7 -9.463 6.627 12.744 1.00 0.94 C ATOM 0 H THR A 7 -5.507 8.063 12.767 1.00 0.52 H new ATOM 0 HA THR A 7 -7.599 6.818 14.482 1.00 0.52 H new ATOM 0 HB THR A 7 -7.700 6.553 11.519 1.00 0.58 H new ATOM 0 HG1 THR A 7 -7.493 8.720 11.363 1.00 0.98 H new ATOM 0 HG21 THR A 7 -10.139 6.834 11.914 1.00 0.94 H new ATOM 0 HG22 THR A 7 -9.443 5.554 12.938 1.00 0.94 H new ATOM 0 HG23 THR A 7 -9.812 7.150 13.634 1.00 0.94 H new ATOM 102 N GLU A 8 -7.077 4.350 13.501 1.00 0.51 N ATOM 103 CA GLU A 8 -6.497 2.989 13.345 1.00 0.50 C ATOM 104 C GLU A 8 -5.880 2.772 11.944 1.00 0.46 C ATOM 105 O GLU A 8 -4.769 2.244 11.841 1.00 0.48 O ATOM 106 CB GLU A 8 -7.556 1.897 13.637 1.00 0.55 C ATOM 107 CG GLU A 8 -6.975 0.497 13.876 1.00 0.91 C ATOM 108 CD GLU A 8 -8.027 -0.540 14.249 1.00 0.95 C ATOM 109 OE1 GLU A 8 -8.594 -0.441 15.359 1.00 1.42 O ATOM 110 OE2 GLU A 8 -8.274 -1.454 13.433 1.00 1.14 O ATOM 0 H GLU A 8 -8.072 4.357 13.727 1.00 0.51 H new ATOM 0 HA GLU A 8 -5.693 2.906 14.076 1.00 0.50 H new ATOM 0 HB2 GLU A 8 -8.132 2.192 14.514 1.00 0.55 H new ATOM 0 HB3 GLU A 8 -8.252 1.850 12.799 1.00 0.55 H new ATOM 0 HG2 GLU A 8 -6.456 0.169 12.976 1.00 0.91 H new ATOM 0 HG3 GLU A 8 -6.231 0.551 14.671 1.00 0.91 H new ATOM 117 N LEU A 9 -6.595 3.188 10.873 1.00 0.45 N ATOM 118 CA LEU A 9 -6.103 3.022 9.483 1.00 0.44 C ATOM 119 C LEU A 9 -4.942 3.984 9.156 1.00 0.42 C ATOM 120 O LEU A 9 -4.049 3.620 8.382 1.00 0.43 O ATOM 121 CB LEU A 9 -7.254 3.185 8.464 1.00 0.48 C ATOM 122 CG LEU A 9 -8.386 2.126 8.543 1.00 0.56 C ATOM 123 CD1 LEU A 9 -9.556 2.509 7.637 1.00 0.65 C ATOM 124 CD2 LEU A 9 -7.868 0.724 8.185 1.00 0.65 C ATOM 0 H LEU A 9 -7.508 3.638 10.942 1.00 0.45 H new ATOM 0 HA LEU A 9 -5.713 2.007 9.404 1.00 0.44 H new ATOM 0 HB2 LEU A 9 -7.696 4.172 8.600 1.00 0.48 H new ATOM 0 HB3 LEU A 9 -6.830 3.161 7.460 1.00 0.48 H new ATOM 0 HG LEU A 9 -8.740 2.102 9.574 1.00 0.56 H new ATOM 0 HD11 LEU A 9 -10.336 1.751 7.710 1.00 0.65 H new ATOM 0 HD12 LEU A 9 -9.957 3.474 7.948 1.00 0.65 H new ATOM 0 HD13 LEU A 9 -9.211 2.576 6.605 1.00 0.65 H new ATOM 0 HD21 LEU A 9 -8.686 0.006 8.250 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -7.471 0.731 7.170 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -7.079 0.439 8.881 1.00 0.65 H new ATOM 136 N GLU A 10 -4.958 5.208 9.733 1.00 0.42 N ATOM 137 CA GLU A 10 -3.866 6.187 9.522 1.00 0.44 C ATOM 138 C GLU A 10 -2.596 5.736 10.273 1.00 0.44 C ATOM 139 O GLU A 10 -1.479 5.918 9.779 1.00 0.48 O ATOM 140 CB GLU A 10 -4.267 7.598 9.998 1.00 0.49 C ATOM 141 CG GLU A 10 -5.479 8.194 9.285 1.00 0.54 C ATOM 142 CD GLU A 10 -5.688 9.669 9.603 1.00 0.63 C ATOM 143 OE1 GLU A 10 -4.804 10.483 9.259 1.00 1.03 O ATOM 144 OE2 GLU A 10 -6.732 10.008 10.199 1.00 0.96 O ATOM 0 H GLU A 10 -5.706 5.539 10.342 1.00 0.42 H new ATOM 0 HA GLU A 10 -3.667 6.231 8.451 1.00 0.44 H new ATOM 0 HB2 GLU A 10 -4.475 7.560 11.067 1.00 0.49 H new ATOM 0 HB3 GLU A 10 -3.417 8.267 9.862 1.00 0.49 H new ATOM 0 HG2 GLU A 10 -5.357 8.073 8.209 1.00 0.54 H new ATOM 0 HG3 GLU A 10 -6.372 7.636 9.569 1.00 0.54 H new ATOM 151 N GLU A 11 -2.793 5.149 11.477 1.00 0.44 N ATOM 152 CA GLU A 11 -1.692 4.640 12.319 1.00 0.46 C ATOM 153 C GLU A 11 -1.036 3.382 11.700 1.00 0.45 C ATOM 154 O GLU A 11 0.150 3.140 11.926 1.00 0.47 O ATOM 155 CB GLU A 11 -2.214 4.335 13.742 1.00 0.52 C ATOM 156 CG GLU A 11 -1.139 3.931 14.755 1.00 0.61 C ATOM 157 CD GLU A 11 -1.695 3.751 16.157 1.00 0.69 C ATOM 158 OE1 GLU A 11 -2.264 2.671 16.436 1.00 0.81 O ATOM 159 OE2 GLU A 11 -1.568 4.687 16.972 1.00 0.79 O ATOM 0 H GLU A 11 -3.717 5.017 11.888 1.00 0.44 H new ATOM 0 HA GLU A 11 -0.926 5.413 12.377 1.00 0.46 H new ATOM 0 HB2 GLU A 11 -2.733 5.216 14.118 1.00 0.52 H new ATOM 0 HB3 GLU A 11 -2.951 3.534 13.678 1.00 0.52 H new ATOM 0 HG2 GLU A 11 -0.671 3.001 14.431 1.00 0.61 H new ATOM 0 HG3 GLU A 11 -0.358 4.691 14.773 1.00 0.61 H new ATOM 166 N SER A 12 -1.818 2.594 10.918 1.00 0.45 N ATOM 167 CA SER A 12 -1.318 1.361 10.263 1.00 0.47 C ATOM 168 C SER A 12 -0.164 1.666 9.286 1.00 0.44 C ATOM 169 O SER A 12 0.910 1.070 9.391 1.00 0.49 O ATOM 170 CB SER A 12 -2.463 0.640 9.527 1.00 0.52 C ATOM 171 OG SER A 12 -3.429 0.142 10.440 1.00 0.63 O ATOM 0 H SER A 12 -2.800 2.793 10.726 1.00 0.45 H new ATOM 0 HA SER A 12 -0.930 0.707 11.044 1.00 0.47 H new ATOM 0 HB2 SER A 12 -2.940 1.328 8.829 1.00 0.52 H new ATOM 0 HB3 SER A 12 -2.058 -0.183 8.937 1.00 0.52 H new ATOM 0 HG SER A 12 -3.851 0.891 10.910 1.00 0.63 H new ATOM 177 N ILE A 13 -0.393 2.604 8.347 1.00 0.42 N ATOM 178 CA ILE A 13 0.637 3.005 7.358 1.00 0.43 C ATOM 179 C ILE A 13 1.685 3.971 7.968 1.00 0.41 C ATOM 180 O ILE A 13 2.764 4.148 7.399 1.00 0.46 O ATOM 181 CB ILE A 13 0.030 3.604 6.036 1.00 0.47 C ATOM 182 CG1 ILE A 13 -1.044 4.709 6.289 1.00 0.46 C ATOM 183 CG2 ILE A 13 -0.553 2.482 5.166 1.00 0.56 C ATOM 184 CD1 ILE A 13 -0.485 6.057 6.703 1.00 0.44 C ATOM 0 H ILE A 13 -1.279 3.100 8.249 1.00 0.42 H new ATOM 0 HA ILE A 13 1.146 2.082 7.081 1.00 0.43 H new ATOM 0 HB ILE A 13 0.852 4.091 5.511 1.00 0.47 H new ATOM 0 HG12 ILE A 13 -1.632 4.839 5.381 1.00 0.46 H new ATOM 0 HG13 ILE A 13 -1.727 4.361 7.064 1.00 0.46 H new ATOM 0 HG21 ILE A 13 -0.970 2.908 4.254 1.00 0.56 H new ATOM 0 HG22 ILE A 13 0.235 1.775 4.908 1.00 0.56 H new ATOM 0 HG23 ILE A 13 -1.339 1.965 5.717 1.00 0.56 H new ATOM 0 HD11 ILE A 13 -1.304 6.759 6.856 1.00 0.44 H new ATOM 0 HD12 ILE A 13 0.078 5.948 7.630 1.00 0.44 H new ATOM 0 HD13 ILE A 13 0.174 6.433 5.921 1.00 0.44 H new ATOM 196 N GLU A 14 1.354 4.594 9.125 1.00 0.39 N ATOM 197 CA GLU A 14 2.269 5.507 9.845 1.00 0.40 C ATOM 198 C GLU A 14 3.366 4.704 10.577 1.00 0.41 C ATOM 199 O GLU A 14 4.509 5.166 10.685 1.00 0.44 O ATOM 200 CB GLU A 14 1.462 6.374 10.842 1.00 0.43 C ATOM 201 CG GLU A 14 2.288 7.224 11.825 1.00 0.52 C ATOM 202 CD GLU A 14 2.546 6.534 13.165 1.00 0.61 C ATOM 203 OE1 GLU A 14 1.645 5.822 13.659 1.00 0.93 O ATOM 204 OE2 GLU A 14 3.650 6.710 13.718 1.00 1.00 O ATOM 0 H GLU A 14 0.449 4.477 9.582 1.00 0.39 H new ATOM 0 HA GLU A 14 2.758 6.164 9.126 1.00 0.40 H new ATOM 0 HB2 GLU A 14 0.816 7.041 10.271 1.00 0.43 H new ATOM 0 HB3 GLU A 14 0.812 5.717 11.419 1.00 0.43 H new ATOM 0 HG2 GLU A 14 3.244 7.472 11.364 1.00 0.52 H new ATOM 0 HG3 GLU A 14 1.768 8.165 12.005 1.00 0.52 H new ATOM 211 N THR A 15 3.002 3.502 11.080 1.00 0.42 N ATOM 212 CA THR A 15 3.935 2.607 11.794 1.00 0.45 C ATOM 213 C THR A 15 5.094 2.143 10.881 1.00 0.43 C ATOM 214 O THR A 15 6.224 2.000 11.347 1.00 0.45 O ATOM 215 CB THR A 15 3.179 1.369 12.369 1.00 0.50 C ATOM 216 OG1 THR A 15 2.112 1.812 13.219 1.00 0.65 O ATOM 217 CG2 THR A 15 4.085 0.436 13.171 1.00 0.77 C ATOM 0 H THR A 15 2.056 3.128 11.002 1.00 0.42 H new ATOM 0 HA THR A 15 4.364 3.177 12.618 1.00 0.45 H new ATOM 0 HB THR A 15 2.799 0.808 11.515 1.00 0.50 H new ATOM 0 HG1 THR A 15 1.364 2.126 12.669 1.00 0.65 H new ATOM 0 HG21 THR A 15 3.501 -0.405 13.544 1.00 0.77 H new ATOM 0 HG22 THR A 15 4.885 0.066 12.530 1.00 0.77 H new ATOM 0 HG23 THR A 15 4.515 0.981 14.011 1.00 0.77 H new ATOM 225 N VAL A 16 4.808 1.934 9.577 1.00 0.41 N ATOM 226 CA VAL A 16 5.831 1.493 8.602 1.00 0.42 C ATOM 227 C VAL A 16 6.888 2.603 8.369 1.00 0.42 C ATOM 228 O VAL A 16 8.045 2.301 8.060 1.00 0.46 O ATOM 229 CB VAL A 16 5.193 1.060 7.231 1.00 0.44 C ATOM 230 CG1 VAL A 16 6.232 0.429 6.291 1.00 0.50 C ATOM 231 CG2 VAL A 16 4.016 0.095 7.442 1.00 0.49 C ATOM 0 H VAL A 16 3.879 2.063 9.176 1.00 0.41 H new ATOM 0 HA VAL A 16 6.322 0.620 9.032 1.00 0.42 H new ATOM 0 HB VAL A 16 4.818 1.968 6.759 1.00 0.44 H new ATOM 0 HG11 VAL A 16 5.751 0.144 5.356 1.00 0.50 H new ATOM 0 HG12 VAL A 16 7.023 1.150 6.087 1.00 0.50 H new ATOM 0 HG13 VAL A 16 6.660 -0.455 6.763 1.00 0.50 H new ATOM 0 HG21 VAL A 16 3.597 -0.185 6.475 1.00 0.49 H new ATOM 0 HG22 VAL A 16 4.366 -0.799 7.958 1.00 0.49 H new ATOM 0 HG23 VAL A 16 3.248 0.583 8.042 1.00 0.49 H new ATOM 241 N VAL A 17 6.479 3.884 8.526 1.00 0.42 N ATOM 242 CA VAL A 17 7.380 5.041 8.345 1.00 0.47 C ATOM 243 C VAL A 17 8.233 5.281 9.613 1.00 0.55 C ATOM 244 O VAL A 17 9.459 5.297 9.531 1.00 0.95 O ATOM 245 CB VAL A 17 6.585 6.349 7.992 1.00 0.51 C ATOM 246 CG1 VAL A 17 7.525 7.534 7.716 1.00 0.60 C ATOM 247 CG2 VAL A 17 5.648 6.121 6.798 1.00 0.52 C ATOM 0 H VAL A 17 5.525 4.140 8.779 1.00 0.42 H new ATOM 0 HA VAL A 17 8.038 4.802 7.509 1.00 0.47 H new ATOM 0 HB VAL A 17 5.981 6.600 8.864 1.00 0.51 H new ATOM 0 HG11 VAL A 17 6.935 8.418 7.476 1.00 0.60 H new ATOM 0 HG12 VAL A 17 8.131 7.731 8.600 1.00 0.60 H new ATOM 0 HG13 VAL A 17 8.177 7.294 6.876 1.00 0.60 H new ATOM 0 HG21 VAL A 17 5.111 7.043 6.576 1.00 0.52 H new ATOM 0 HG22 VAL A 17 6.233 5.824 5.928 1.00 0.52 H new ATOM 0 HG23 VAL A 17 4.934 5.334 7.041 1.00 0.52 H new ATOM 257 N THR A 18 7.567 5.446 10.780 1.00 0.47 N ATOM 258 CA THR A 18 8.250 5.723 12.072 1.00 0.51 C ATOM 259 C THR A 18 9.179 4.583 12.547 1.00 0.51 C ATOM 260 O THR A 18 10.225 4.859 13.145 1.00 0.60 O ATOM 261 CB THR A 18 7.237 6.045 13.211 1.00 0.56 C ATOM 262 OG1 THR A 18 6.252 5.006 13.308 1.00 0.57 O ATOM 263 CG2 THR A 18 6.538 7.382 12.977 1.00 0.62 C ATOM 0 H THR A 18 6.551 5.392 10.856 1.00 0.47 H new ATOM 0 HA THR A 18 8.869 6.596 11.865 1.00 0.51 H new ATOM 0 HB THR A 18 7.800 6.108 14.142 1.00 0.56 H new ATOM 0 HG1 THR A 18 5.365 5.406 13.426 1.00 0.57 H new ATOM 0 HG21 THR A 18 5.839 7.574 13.791 1.00 0.62 H new ATOM 0 HG22 THR A 18 7.280 8.179 12.941 1.00 0.62 H new ATOM 0 HG23 THR A 18 5.995 7.348 12.032 1.00 0.62 H new ATOM 271 N THR A 19 8.800 3.311 12.288 1.00 0.49 N ATOM 272 CA THR A 19 9.610 2.148 12.715 1.00 0.53 C ATOM 273 C THR A 19 10.941 2.040 11.937 1.00 0.53 C ATOM 274 O THR A 19 11.977 1.751 12.545 1.00 0.62 O ATOM 275 CB THR A 19 8.812 0.813 12.594 1.00 0.55 C ATOM 276 OG1 THR A 19 7.574 0.928 13.307 1.00 0.56 O ATOM 277 CG2 THR A 19 9.583 -0.386 13.158 1.00 0.66 C ATOM 0 H THR A 19 7.945 3.065 11.789 1.00 0.49 H new ATOM 0 HA THR A 19 9.849 2.317 13.765 1.00 0.53 H new ATOM 0 HB THR A 19 8.642 0.640 11.531 1.00 0.55 H new ATOM 0 HG1 THR A 19 6.974 1.534 12.825 1.00 0.56 H new ATOM 0 HG21 THR A 19 8.982 -1.289 13.049 1.00 0.66 H new ATOM 0 HG22 THR A 19 10.520 -0.505 12.613 1.00 0.66 H new ATOM 0 HG23 THR A 19 9.796 -0.218 14.214 1.00 0.66 H new ATOM 285 N PHE A 20 10.915 2.275 10.603 1.00 0.53 N ATOM 286 CA PHE A 20 12.133 2.170 9.767 1.00 0.57 C ATOM 287 C PHE A 20 12.750 3.542 9.380 1.00 0.57 C ATOM 288 O PHE A 20 13.708 3.580 8.599 1.00 0.89 O ATOM 289 CB PHE A 20 11.840 1.324 8.504 1.00 0.64 C ATOM 290 CG PHE A 20 13.086 0.809 7.805 1.00 0.71 C ATOM 291 CD1 PHE A 20 13.918 -0.117 8.426 1.00 0.83 C ATOM 292 CD2 PHE A 20 13.431 1.263 6.538 1.00 0.76 C ATOM 293 CE1 PHE A 20 15.058 -0.576 7.799 1.00 0.95 C ATOM 294 CE2 PHE A 20 14.575 0.805 5.912 1.00 0.86 C ATOM 295 CZ PHE A 20 15.388 -0.117 6.543 1.00 0.93 C ATOM 0 H PHE A 20 10.074 2.536 10.088 1.00 0.53 H new ATOM 0 HA PHE A 20 12.885 1.671 10.379 1.00 0.57 H new ATOM 0 HB2 PHE A 20 11.216 0.476 8.784 1.00 0.64 H new ATOM 0 HB3 PHE A 20 11.264 1.926 7.801 1.00 0.64 H new ATOM 0 HD1 PHE A 20 13.668 -0.481 9.412 1.00 0.83 H new ATOM 0 HD2 PHE A 20 12.799 1.981 6.037 1.00 0.76 H new ATOM 0 HE1 PHE A 20 15.693 -1.296 8.294 1.00 0.95 H new ATOM 0 HE2 PHE A 20 14.834 1.168 4.928 1.00 0.86 H new ATOM 0 HZ PHE A 20 16.280 -0.477 6.052 1.00 0.93 H new ATOM 305 N PHE A 21 12.232 4.664 9.927 1.00 0.71 N ATOM 306 CA PHE A 21 12.787 6.005 9.621 1.00 0.73 C ATOM 307 C PHE A 21 14.201 6.168 10.223 1.00 0.66 C ATOM 308 O PHE A 21 15.031 6.879 9.656 1.00 0.67 O ATOM 309 CB PHE A 21 11.847 7.123 10.128 1.00 1.04 C ATOM 310 CG PHE A 21 12.387 8.532 9.956 1.00 1.67 C ATOM 311 CD1 PHE A 21 12.362 9.160 8.716 1.00 1.97 C ATOM 312 CD2 PHE A 21 12.925 9.223 11.038 1.00 2.34 C ATOM 313 CE1 PHE A 21 12.858 10.441 8.562 1.00 2.74 C ATOM 314 CE2 PHE A 21 13.422 10.503 10.883 1.00 3.02 C ATOM 315 CZ PHE A 21 13.387 11.112 9.645 1.00 3.17 C ATOM 0 H PHE A 21 11.443 4.671 10.573 1.00 0.71 H new ATOM 0 HA PHE A 21 12.866 6.094 8.537 1.00 0.73 H new ATOM 0 HB2 PHE A 21 10.896 7.046 9.601 1.00 1.04 H new ATOM 0 HB3 PHE A 21 11.641 6.954 11.185 1.00 1.04 H new ATOM 0 HD1 PHE A 21 11.950 8.641 7.863 1.00 1.97 H new ATOM 0 HD2 PHE A 21 12.954 8.753 12.010 1.00 2.34 H new ATOM 0 HE1 PHE A 21 12.831 10.917 7.593 1.00 2.74 H new ATOM 0 HE2 PHE A 21 13.838 11.027 11.731 1.00 3.02 H new ATOM 0 HZ PHE A 21 13.774 12.113 9.524 1.00 3.17 H new ATOM 325 N THR A 22 14.461 5.504 11.371 1.00 0.75 N ATOM 326 CA THR A 22 15.770 5.556 12.055 1.00 0.89 C ATOM 327 C THR A 22 16.931 5.078 11.144 1.00 0.82 C ATOM 328 O THR A 22 18.028 5.638 11.199 1.00 0.97 O ATOM 329 CB THR A 22 15.741 4.697 13.360 1.00 1.11 C ATOM 330 OG1 THR A 22 14.544 4.976 14.111 1.00 1.25 O ATOM 331 CG2 THR A 22 16.963 4.944 14.247 1.00 1.37 C ATOM 0 H THR A 22 13.773 4.920 11.846 1.00 0.75 H new ATOM 0 HA THR A 22 15.952 6.601 12.306 1.00 0.89 H new ATOM 0 HB THR A 22 15.757 3.651 13.053 1.00 1.11 H new ATOM 0 HG1 THR A 22 14.535 4.432 14.926 1.00 1.25 H new ATOM 0 HG21 THR A 22 16.895 4.324 15.141 1.00 1.37 H new ATOM 0 HG22 THR A 22 17.869 4.690 13.697 1.00 1.37 H new ATOM 0 HG23 THR A 22 16.996 5.994 14.536 1.00 1.37 H new ATOM 339 N PHE A 23 16.671 4.046 10.312 1.00 0.69 N ATOM 340 CA PHE A 23 17.685 3.482 9.394 1.00 0.76 C ATOM 341 C PHE A 23 17.602 4.086 7.974 1.00 0.69 C ATOM 342 O PHE A 23 18.599 4.074 7.244 1.00 0.82 O ATOM 343 CB PHE A 23 17.549 1.945 9.332 1.00 0.87 C ATOM 344 CG PHE A 23 17.983 1.249 10.611 1.00 1.04 C ATOM 345 CD1 PHE A 23 17.081 1.024 11.645 1.00 1.01 C ATOM 346 CD2 PHE A 23 19.299 0.826 10.778 1.00 1.34 C ATOM 347 CE1 PHE A 23 17.481 0.397 12.810 1.00 1.24 C ATOM 348 CE2 PHE A 23 19.701 0.201 11.942 1.00 1.55 C ATOM 349 CZ PHE A 23 18.792 -0.014 12.957 1.00 1.49 C ATOM 0 H PHE A 23 15.763 3.585 10.257 1.00 0.69 H new ATOM 0 HA PHE A 23 18.664 3.746 9.795 1.00 0.76 H new ATOM 0 HB2 PHE A 23 16.511 1.688 9.121 1.00 0.87 H new ATOM 0 HB3 PHE A 23 18.146 1.568 8.501 1.00 0.87 H new ATOM 0 HD1 PHE A 23 16.055 1.343 11.536 1.00 1.01 H new ATOM 0 HD2 PHE A 23 20.015 0.989 9.986 1.00 1.34 H new ATOM 0 HE1 PHE A 23 16.769 0.228 13.605 1.00 1.24 H new ATOM 0 HE2 PHE A 23 20.726 -0.119 12.057 1.00 1.55 H new ATOM 0 HZ PHE A 23 19.105 -0.504 13.867 1.00 1.49 H new ATOM 359 N ALA A 24 16.421 4.609 7.584 1.00 0.59 N ATOM 360 CA ALA A 24 16.221 5.213 6.251 1.00 0.67 C ATOM 361 C ALA A 24 16.642 6.698 6.199 1.00 0.62 C ATOM 362 O ALA A 24 16.872 7.228 5.106 1.00 0.83 O ATOM 363 CB ALA A 24 14.758 5.079 5.830 1.00 0.82 C ATOM 0 H ALA A 24 15.590 4.625 8.175 1.00 0.59 H new ATOM 0 HA ALA A 24 16.863 4.670 5.558 1.00 0.67 H new ATOM 0 HB1 ALA A 24 14.620 5.527 4.846 1.00 0.82 H new ATOM 0 HB2 ALA A 24 14.486 4.024 5.790 1.00 0.82 H new ATOM 0 HB3 ALA A 24 14.123 5.590 6.554 1.00 0.82 H new ATOM 369 N ARG A 25 16.743 7.367 7.369 1.00 0.61 N ATOM 370 CA ARG A 25 17.112 8.799 7.434 1.00 0.65 C ATOM 371 C ARG A 25 18.630 9.047 7.286 1.00 0.69 C ATOM 372 O ARG A 25 19.035 10.035 6.667 1.00 0.88 O ATOM 373 CB ARG A 25 16.599 9.436 8.753 1.00 0.75 C ATOM 374 CG ARG A 25 17.321 8.964 10.026 1.00 0.78 C ATOM 375 CD ARG A 25 16.686 9.517 11.296 1.00 0.97 C ATOM 376 NE ARG A 25 17.507 9.254 12.491 1.00 1.09 N ATOM 377 CZ ARG A 25 17.334 9.833 13.698 1.00 1.32 C ATOM 378 NH1 ARG A 25 16.318 10.680 13.926 1.00 1.55 N ATOM 379 NH2 ARG A 25 18.169 9.533 14.693 1.00 1.47 N ATOM 0 H ARG A 25 16.575 6.939 8.280 1.00 0.61 H new ATOM 0 HA ARG A 25 16.629 9.275 6.581 1.00 0.65 H new ATOM 0 HB2 ARG A 25 16.697 10.519 8.678 1.00 0.75 H new ATOM 0 HB3 ARG A 25 15.536 9.218 8.854 1.00 0.75 H new ATOM 0 HG2 ARG A 25 17.311 7.875 10.063 1.00 0.78 H new ATOM 0 HG3 ARG A 25 18.366 9.271 9.982 1.00 0.78 H new ATOM 0 HD2 ARG A 25 16.539 10.592 11.188 1.00 0.97 H new ATOM 0 HD3 ARG A 25 15.700 9.072 11.430 1.00 0.97 H new ATOM 0 HE ARG A 25 18.267 8.580 12.399 1.00 1.09 H new ATOM 0 HH11 ARG A 25 15.658 10.897 13.179 1.00 1.55 H new ATOM 0 HH12 ARG A 25 16.206 11.106 14.846 1.00 1.55 H new ATOM 0 HH21 ARG A 25 18.930 8.872 14.538 1.00 1.47 H new ATOM 0 HH22 ARG A 25 18.047 9.965 15.609 1.00 1.47 H new ATOM 393 N GLN A 26 19.463 8.148 7.853 1.00 0.73 N ATOM 394 CA GLN A 26 20.932 8.306 7.823 1.00 0.84 C ATOM 395 C GLN A 26 21.561 8.005 6.441 1.00 0.78 C ATOM 396 O GLN A 26 22.690 8.435 6.189 1.00 0.89 O ATOM 397 CB GLN A 26 21.583 7.431 8.922 1.00 1.01 C ATOM 398 CG GLN A 26 22.993 7.868 9.325 1.00 1.22 C ATOM 399 CD GLN A 26 23.562 7.069 10.495 1.00 1.49 C ATOM 400 OE1 GLN A 26 24.221 6.048 10.298 1.00 1.63 O ATOM 401 NE2 GLN A 26 23.311 7.525 11.725 1.00 1.80 N ATOM 0 H GLN A 26 19.144 7.308 8.336 1.00 0.73 H new ATOM 0 HA GLN A 26 21.135 9.359 8.021 1.00 0.84 H new ATOM 0 HB2 GLN A 26 20.945 7.445 9.806 1.00 1.01 H new ATOM 0 HB3 GLN A 26 21.621 6.399 8.573 1.00 1.01 H new ATOM 0 HG2 GLN A 26 23.657 7.765 8.467 1.00 1.22 H new ATOM 0 HG3 GLN A 26 22.976 8.925 9.590 1.00 1.22 H new ATOM 0 HE21 GLN A 26 22.761 8.375 11.852 1.00 1.80 H new ATOM 0 HE22 GLN A 26 23.669 7.024 12.538 1.00 1.80 H new ATOM 410 N GLU A 27 20.845 7.277 5.551 1.00 0.70 N ATOM 411 CA GLU A 27 21.372 6.948 4.210 1.00 0.76 C ATOM 412 C GLU A 27 20.325 7.196 3.106 1.00 0.93 C ATOM 413 O GLU A 27 19.255 6.574 3.110 1.00 1.59 O ATOM 414 CB GLU A 27 21.848 5.478 4.157 1.00 0.92 C ATOM 415 CG GLU A 27 23.010 5.133 5.097 1.00 1.09 C ATOM 416 CD GLU A 27 24.317 5.848 4.757 1.00 1.27 C ATOM 417 OE1 GLU A 27 24.736 5.803 3.577 1.00 1.52 O ATOM 418 OE2 GLU A 27 24.924 6.444 5.673 1.00 1.46 O ATOM 0 H GLU A 27 19.911 6.911 5.737 1.00 0.70 H new ATOM 0 HA GLU A 27 22.220 7.609 4.027 1.00 0.76 H new ATOM 0 HB2 GLU A 27 21.004 4.831 4.396 1.00 0.92 H new ATOM 0 HB3 GLU A 27 22.148 5.247 3.135 1.00 0.92 H new ATOM 0 HG2 GLU A 27 22.725 5.385 6.118 1.00 1.09 H new ATOM 0 HG3 GLU A 27 23.179 4.056 5.070 1.00 1.09 H new ATOM 425 N GLY A 28 20.644 8.120 2.171 1.00 0.79 N ATOM 426 CA GLY A 28 19.761 8.434 1.042 1.00 0.92 C ATOM 427 C GLY A 28 18.491 9.190 1.425 1.00 0.73 C ATOM 428 O GLY A 28 17.433 8.571 1.562 1.00 0.72 O ATOM 0 H GLY A 28 21.510 8.658 2.183 1.00 0.79 H new ATOM 0 HA2 GLY A 28 20.317 9.027 0.316 1.00 0.92 H new ATOM 0 HA3 GLY A 28 19.480 7.504 0.547 1.00 0.92 H new ATOM 432 N ARG A 29 18.596 10.534 1.591 1.00 0.72 N ATOM 433 CA ARG A 29 17.447 11.413 1.948 1.00 0.71 C ATOM 434 C ARG A 29 16.769 11.002 3.278 1.00 0.68 C ATOM 435 O ARG A 29 17.092 9.958 3.855 1.00 0.76 O ATOM 436 CB ARG A 29 16.414 11.471 0.785 1.00 0.73 C ATOM 437 CG ARG A 29 16.507 12.736 -0.071 1.00 0.92 C ATOM 438 CD ARG A 29 15.528 12.708 -1.246 1.00 1.31 C ATOM 439 NE ARG A 29 15.550 13.960 -2.017 1.00 1.46 N ATOM 440 CZ ARG A 29 16.359 14.223 -3.071 1.00 1.91 C ATOM 441 NH1 ARG A 29 17.273 13.338 -3.502 1.00 2.60 N ATOM 442 NH2 ARG A 29 16.255 15.396 -3.689 1.00 2.05 N ATOM 0 H ARG A 29 19.475 11.039 1.482 1.00 0.72 H new ATOM 0 HA ARG A 29 17.851 12.413 2.104 1.00 0.71 H new ATOM 0 HB2 ARG A 29 16.555 10.601 0.144 1.00 0.73 H new ATOM 0 HB3 ARG A 29 15.409 11.400 1.202 1.00 0.73 H new ATOM 0 HG2 ARG A 29 16.303 13.609 0.549 1.00 0.92 H new ATOM 0 HG3 ARG A 29 17.524 12.844 -0.449 1.00 0.92 H new ATOM 0 HD2 ARG A 29 15.775 11.874 -1.903 1.00 1.31 H new ATOM 0 HD3 ARG A 29 14.519 12.531 -0.872 1.00 1.31 H new ATOM 0 HE ARG A 29 14.900 14.693 -1.734 1.00 1.46 H new ATOM 0 HH11 ARG A 29 17.373 12.438 -3.032 1.00 2.60 H new ATOM 0 HH12 ARG A 29 17.867 13.566 -4.299 1.00 2.60 H new ATOM 0 HH21 ARG A 29 15.573 16.083 -3.368 1.00 2.05 H new ATOM 0 HH22 ARG A 29 16.857 15.609 -4.484 1.00 2.05 H new ATOM 456 N LYS A 30 15.824 11.838 3.759 1.00 0.67 N ATOM 457 CA LYS A 30 15.101 11.568 5.020 1.00 0.67 C ATOM 458 C LYS A 30 13.868 10.685 4.776 1.00 0.66 C ATOM 459 O LYS A 30 13.660 9.705 5.500 1.00 0.72 O ATOM 460 CB LYS A 30 14.688 12.886 5.710 1.00 0.76 C ATOM 461 CG LYS A 30 15.863 13.747 6.187 1.00 0.82 C ATOM 462 CD LYS A 30 16.508 13.203 7.466 1.00 0.89 C ATOM 463 CE LYS A 30 17.704 14.046 7.923 1.00 1.00 C ATOM 464 NZ LYS A 30 18.903 13.869 7.047 1.00 1.22 N ATOM 0 H LYS A 30 15.545 12.702 3.295 1.00 0.67 H new ATOM 0 HA LYS A 30 15.780 11.029 5.680 1.00 0.67 H new ATOM 0 HB2 LYS A 30 14.083 13.471 5.017 1.00 0.76 H new ATOM 0 HB3 LYS A 30 14.055 12.651 6.566 1.00 0.76 H new ATOM 0 HG2 LYS A 30 16.614 13.799 5.399 1.00 0.82 H new ATOM 0 HG3 LYS A 30 15.515 14.765 6.364 1.00 0.82 H new ATOM 0 HD2 LYS A 30 15.763 13.174 8.261 1.00 0.89 H new ATOM 0 HD3 LYS A 30 16.834 12.177 7.297 1.00 0.89 H new ATOM 0 HE2 LYS A 30 17.419 15.098 7.934 1.00 1.00 H new ATOM 0 HE3 LYS A 30 17.964 13.776 8.947 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 19.682 14.461 7.401 1.00 1.22 H new ATOM 0 HZ2 LYS A 30 19.195 12.871 7.056 1.00 1.22 H new ATOM 0 HZ3 LYS A 30 18.667 14.152 6.074 1.00 1.22 H new ATOM 478 N ASP A 31 13.059 11.033 3.754 1.00 0.66 N ATOM 479 CA ASP A 31 11.845 10.266 3.406 1.00 0.71 C ATOM 480 C ASP A 31 12.122 9.298 2.233 1.00 0.64 C ATOM 481 O ASP A 31 11.333 9.206 1.285 1.00 0.89 O ATOM 482 CB ASP A 31 10.687 11.231 3.063 1.00 0.87 C ATOM 483 CG ASP A 31 10.256 12.087 4.245 1.00 1.03 C ATOM 484 OD1 ASP A 31 9.738 11.521 5.232 1.00 1.38 O ATOM 485 OD2 ASP A 31 10.441 13.320 4.184 1.00 1.43 O ATOM 0 H ASP A 31 13.225 11.841 3.155 1.00 0.66 H new ATOM 0 HA ASP A 31 11.553 9.667 4.269 1.00 0.71 H new ATOM 0 HB2 ASP A 31 10.994 11.881 2.244 1.00 0.87 H new ATOM 0 HB3 ASP A 31 9.833 10.654 2.709 1.00 0.87 H new ATOM 490 N SER A 32 13.254 8.565 2.318 1.00 0.65 N ATOM 491 CA SER A 32 13.658 7.593 1.287 1.00 0.58 C ATOM 492 C SER A 32 14.527 6.481 1.901 1.00 0.56 C ATOM 493 O SER A 32 15.419 6.761 2.707 1.00 0.63 O ATOM 494 CB SER A 32 14.417 8.289 0.143 1.00 0.58 C ATOM 495 OG SER A 32 14.892 7.349 -0.813 1.00 1.09 O ATOM 0 H SER A 32 13.907 8.632 3.099 1.00 0.65 H new ATOM 0 HA SER A 32 12.754 7.144 0.877 1.00 0.58 H new ATOM 0 HB2 SER A 32 13.760 9.008 -0.347 1.00 0.58 H new ATOM 0 HB3 SER A 32 15.257 8.851 0.551 1.00 0.58 H new ATOM 0 HG SER A 32 14.632 7.638 -1.713 1.00 1.09 H new ATOM 501 N LEU A 33 14.264 5.226 1.499 1.00 0.54 N ATOM 502 CA LEU A 33 15.008 4.057 2.005 1.00 0.54 C ATOM 503 C LEU A 33 16.262 3.780 1.148 1.00 0.52 C ATOM 504 O LEU A 33 16.353 4.239 0.006 1.00 0.66 O ATOM 505 CB LEU A 33 14.089 2.811 2.028 1.00 0.55 C ATOM 506 CG LEU A 33 13.003 2.774 3.142 1.00 0.67 C ATOM 507 CD1 LEU A 33 11.904 3.822 2.916 1.00 0.76 C ATOM 508 CD2 LEU A 33 12.391 1.373 3.244 1.00 0.75 C ATOM 0 H LEU A 33 13.538 4.993 0.821 1.00 0.54 H new ATOM 0 HA LEU A 33 15.336 4.277 3.021 1.00 0.54 H new ATOM 0 HB2 LEU A 33 13.590 2.736 1.062 1.00 0.55 H new ATOM 0 HB3 LEU A 33 14.716 1.926 2.132 1.00 0.55 H new ATOM 0 HG LEU A 33 13.496 3.020 4.083 1.00 0.67 H new ATOM 0 HD11 LEU A 33 11.169 3.758 3.719 1.00 0.76 H new ATOM 0 HD12 LEU A 33 12.347 4.818 2.908 1.00 0.76 H new ATOM 0 HD13 LEU A 33 11.414 3.635 1.960 1.00 0.76 H new ATOM 0 HD21 LEU A 33 11.633 1.363 4.027 1.00 0.75 H new ATOM 0 HD22 LEU A 33 11.932 1.106 2.292 1.00 0.75 H new ATOM 0 HD23 LEU A 33 13.172 0.652 3.485 1.00 0.75 H new ATOM 520 N SER A 34 17.231 3.030 1.719 1.00 0.50 N ATOM 521 CA SER A 34 18.484 2.673 1.017 1.00 0.52 C ATOM 522 C SER A 34 18.304 1.373 0.214 1.00 0.47 C ATOM 523 O SER A 34 17.429 0.561 0.530 1.00 0.47 O ATOM 524 CB SER A 34 19.641 2.525 2.023 1.00 0.62 C ATOM 525 OG SER A 34 20.898 2.449 1.364 1.00 0.68 O ATOM 0 H SER A 34 17.169 2.659 2.667 1.00 0.50 H new ATOM 0 HA SER A 34 18.728 3.476 0.322 1.00 0.52 H new ATOM 0 HB2 SER A 34 19.639 3.372 2.708 1.00 0.62 H new ATOM 0 HB3 SER A 34 19.489 1.628 2.624 1.00 0.62 H new ATOM 0 HG SER A 34 21.611 2.357 2.030 1.00 0.68 H new ATOM 531 N VAL A 35 19.151 1.174 -0.818 1.00 0.50 N ATOM 532 CA VAL A 35 19.081 -0.028 -1.677 1.00 0.49 C ATOM 533 C VAL A 35 19.609 -1.304 -0.965 1.00 0.45 C ATOM 534 O VAL A 35 19.207 -2.415 -1.319 1.00 0.46 O ATOM 535 CB VAL A 35 19.830 0.195 -3.043 1.00 0.59 C ATOM 536 CG1 VAL A 35 21.358 0.183 -2.887 1.00 0.63 C ATOM 537 CG2 VAL A 35 19.378 -0.822 -4.097 1.00 0.64 C ATOM 0 H VAL A 35 19.890 1.828 -1.076 1.00 0.50 H new ATOM 0 HA VAL A 35 18.024 -0.191 -1.887 1.00 0.49 H new ATOM 0 HB VAL A 35 19.555 1.192 -3.389 1.00 0.59 H new ATOM 0 HG11 VAL A 35 21.824 0.341 -3.859 1.00 0.63 H new ATOM 0 HG12 VAL A 35 21.660 0.978 -2.206 1.00 0.63 H new ATOM 0 HG13 VAL A 35 21.675 -0.779 -2.485 1.00 0.63 H new ATOM 0 HG21 VAL A 35 19.913 -0.642 -5.029 1.00 0.64 H new ATOM 0 HG22 VAL A 35 19.592 -1.831 -3.745 1.00 0.64 H new ATOM 0 HG23 VAL A 35 18.307 -0.717 -4.268 1.00 0.64 H new ATOM 547 N ASN A 36 20.507 -1.135 0.030 1.00 0.45 N ATOM 548 CA ASN A 36 21.090 -2.267 0.778 1.00 0.46 C ATOM 549 C ASN A 36 20.381 -2.502 2.134 1.00 0.44 C ATOM 550 O ASN A 36 20.370 -3.636 2.628 1.00 0.55 O ATOM 551 CB ASN A 36 22.598 -2.022 0.996 1.00 0.55 C ATOM 552 CG ASN A 36 23.351 -3.258 1.488 1.00 0.64 C ATOM 553 OD1 ASN A 36 23.809 -4.073 0.686 1.00 0.82 O ATOM 554 ND2 ASN A 36 23.487 -3.401 2.809 1.00 0.77 N ATOM 0 H ASN A 36 20.844 -0.221 0.333 1.00 0.45 H new ATOM 0 HA ASN A 36 20.945 -3.169 0.183 1.00 0.46 H new ATOM 0 HB2 ASN A 36 23.042 -1.684 0.060 1.00 0.55 H new ATOM 0 HB3 ASN A 36 22.726 -1.216 1.719 1.00 0.55 H new ATOM 0 HD21 ASN A 36 23.985 -4.207 3.186 1.00 0.77 H new ATOM 0 HD22 ASN A 36 23.093 -2.704 3.441 1.00 0.77 H new ATOM 561 N GLU A 37 19.787 -1.442 2.728 1.00 0.44 N ATOM 562 CA GLU A 37 19.102 -1.554 4.037 1.00 0.46 C ATOM 563 C GLU A 37 17.684 -2.147 3.920 1.00 0.41 C ATOM 564 O GLU A 37 17.233 -2.816 4.856 1.00 0.43 O ATOM 565 CB GLU A 37 19.048 -0.193 4.756 1.00 0.55 C ATOM 566 CG GLU A 37 20.423 0.375 5.105 1.00 0.70 C ATOM 567 CD GLU A 37 20.347 1.632 5.952 1.00 0.83 C ATOM 568 OE1 GLU A 37 20.289 2.732 5.372 1.00 1.54 O ATOM 569 OE2 GLU A 37 20.346 1.511 7.195 1.00 1.25 O ATOM 0 H GLU A 37 19.768 -0.505 2.325 1.00 0.44 H new ATOM 0 HA GLU A 37 19.697 -2.248 4.632 1.00 0.46 H new ATOM 0 HB2 GLU A 37 18.520 0.521 4.124 1.00 0.55 H new ATOM 0 HB3 GLU A 37 18.466 -0.299 5.671 1.00 0.55 H new ATOM 0 HG2 GLU A 37 20.998 -0.382 5.638 1.00 0.70 H new ATOM 0 HG3 GLU A 37 20.963 0.596 4.184 1.00 0.70 H new ATOM 576 N PHE A 38 16.973 -1.904 2.790 1.00 0.40 N ATOM 577 CA PHE A 38 15.607 -2.453 2.602 1.00 0.39 C ATOM 578 C PHE A 38 15.634 -3.998 2.497 1.00 0.37 C ATOM 579 O PHE A 38 14.698 -4.664 2.942 1.00 0.40 O ATOM 580 CB PHE A 38 14.886 -1.802 1.382 1.00 0.43 C ATOM 581 CG PHE A 38 15.004 -2.548 0.059 1.00 0.41 C ATOM 582 CD1 PHE A 38 16.101 -2.364 -0.772 1.00 0.49 C ATOM 583 CD2 PHE A 38 14.014 -3.441 -0.341 1.00 0.50 C ATOM 584 CE1 PHE A 38 16.208 -3.052 -1.967 1.00 0.61 C ATOM 585 CE2 PHE A 38 14.119 -4.127 -1.534 1.00 0.61 C ATOM 586 CZ PHE A 38 15.216 -3.932 -2.345 1.00 0.65 C ATOM 0 H PHE A 38 17.315 -1.343 2.010 1.00 0.40 H new ATOM 0 HA PHE A 38 15.025 -2.196 3.487 1.00 0.39 H new ATOM 0 HB2 PHE A 38 13.828 -1.697 1.624 1.00 0.43 H new ATOM 0 HB3 PHE A 38 15.283 -0.796 1.245 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.880 -1.675 -0.482 1.00 0.49 H new ATOM 0 HD2 PHE A 38 13.152 -3.599 0.291 1.00 0.50 H new ATOM 0 HE1 PHE A 38 17.067 -2.900 -2.603 1.00 0.61 H new ATOM 0 HE2 PHE A 38 13.342 -4.816 -1.832 1.00 0.61 H new ATOM 0 HZ PHE A 38 15.299 -4.469 -3.278 1.00 0.65 H new ATOM 596 N LYS A 39 16.722 -4.553 1.904 1.00 0.37 N ATOM 597 CA LYS A 39 16.906 -6.013 1.758 1.00 0.40 C ATOM 598 C LYS A 39 17.071 -6.685 3.141 1.00 0.38 C ATOM 599 O LYS A 39 16.587 -7.804 3.351 1.00 0.42 O ATOM 600 CB LYS A 39 18.127 -6.306 0.855 1.00 0.46 C ATOM 601 CG LYS A 39 18.319 -7.784 0.497 1.00 0.55 C ATOM 602 CD LYS A 39 19.468 -7.993 -0.494 1.00 0.64 C ATOM 603 CE LYS A 39 19.729 -9.475 -0.768 1.00 0.76 C ATOM 604 NZ LYS A 39 18.626 -10.124 -1.543 1.00 0.87 N ATOM 0 H LYS A 39 17.489 -4.002 1.518 1.00 0.37 H new ATOM 0 HA LYS A 39 16.017 -6.432 1.287 1.00 0.40 H new ATOM 0 HB2 LYS A 39 18.026 -5.733 -0.067 1.00 0.46 H new ATOM 0 HB3 LYS A 39 19.026 -5.948 1.356 1.00 0.46 H new ATOM 0 HG2 LYS A 39 18.516 -8.354 1.405 1.00 0.55 H new ATOM 0 HG3 LYS A 39 17.396 -8.176 0.069 1.00 0.55 H new ATOM 0 HD2 LYS A 39 19.235 -7.487 -1.431 1.00 0.64 H new ATOM 0 HD3 LYS A 39 20.374 -7.532 -0.100 1.00 0.64 H new ATOM 0 HE2 LYS A 39 20.664 -9.579 -1.319 1.00 0.76 H new ATOM 0 HE3 LYS A 39 19.858 -9.998 0.180 1.00 0.76 H new ATOM 0 HZ1 LYS A 39 18.839 -11.134 -1.671 1.00 0.87 H new ATOM 0 HZ2 LYS A 39 17.730 -10.022 -1.024 1.00 0.87 H new ATOM 0 HZ3 LYS A 39 18.541 -9.668 -2.474 1.00 0.87 H new ATOM 618 N GLU A 40 17.757 -5.991 4.081 1.00 0.38 N ATOM 619 CA GLU A 40 17.965 -6.495 5.458 1.00 0.40 C ATOM 620 C GLU A 40 16.640 -6.499 6.249 1.00 0.40 C ATOM 621 O GLU A 40 16.444 -7.345 7.123 1.00 0.44 O ATOM 622 CB GLU A 40 19.014 -5.641 6.202 1.00 0.45 C ATOM 623 CG GLU A 40 20.408 -5.672 5.577 1.00 0.49 C ATOM 624 CD GLU A 40 21.407 -4.808 6.330 1.00 0.59 C ATOM 625 OE1 GLU A 40 21.488 -3.598 6.032 1.00 0.64 O ATOM 626 OE2 GLU A 40 22.108 -5.344 7.217 1.00 0.73 O ATOM 0 H GLU A 40 18.177 -5.077 3.908 1.00 0.38 H new ATOM 0 HA GLU A 40 18.332 -7.519 5.384 1.00 0.40 H new ATOM 0 HB2 GLU A 40 18.667 -4.608 6.236 1.00 0.45 H new ATOM 0 HB3 GLU A 40 19.083 -5.988 7.233 1.00 0.45 H new ATOM 0 HG2 GLU A 40 20.768 -6.700 5.553 1.00 0.49 H new ATOM 0 HG3 GLU A 40 20.346 -5.332 4.543 1.00 0.49 H new ATOM 633 N LEU A 41 15.735 -5.546 5.929 1.00 0.39 N ATOM 634 CA LEU A 41 14.414 -5.445 6.584 1.00 0.41 C ATOM 635 C LEU A 41 13.521 -6.658 6.231 1.00 0.40 C ATOM 636 O LEU A 41 12.705 -7.083 7.052 1.00 0.44 O ATOM 637 CB LEU A 41 13.717 -4.123 6.175 1.00 0.44 C ATOM 638 CG LEU A 41 12.480 -3.706 7.008 1.00 0.55 C ATOM 639 CD1 LEU A 41 12.862 -3.425 8.465 1.00 0.65 C ATOM 640 CD2 LEU A 41 11.793 -2.490 6.380 1.00 0.58 C ATOM 0 H LEU A 41 15.898 -4.834 5.217 1.00 0.39 H new ATOM 0 HA LEU A 41 14.568 -5.446 7.663 1.00 0.41 H new ATOM 0 HB2 LEU A 41 14.451 -3.319 6.230 1.00 0.44 H new ATOM 0 HB3 LEU A 41 13.413 -4.207 5.132 1.00 0.44 H new ATOM 0 HG LEU A 41 11.776 -4.538 7.005 1.00 0.55 H new ATOM 0 HD11 LEU A 41 11.973 -3.135 9.025 1.00 0.65 H new ATOM 0 HD12 LEU A 41 13.292 -4.323 8.908 1.00 0.65 H new ATOM 0 HD13 LEU A 41 13.593 -2.617 8.500 1.00 0.65 H new ATOM 0 HD21 LEU A 41 10.926 -2.212 6.979 1.00 0.58 H new ATOM 0 HD22 LEU A 41 12.493 -1.655 6.345 1.00 0.58 H new ATOM 0 HD23 LEU A 41 11.471 -2.736 5.368 1.00 0.58 H new ATOM 652 N VAL A 42 13.685 -7.199 5.001 1.00 0.36 N ATOM 653 CA VAL A 42 12.912 -8.366 4.528 1.00 0.37 C ATOM 654 C VAL A 42 13.537 -9.700 5.016 1.00 0.38 C ATOM 655 O VAL A 42 12.831 -10.707 5.109 1.00 0.41 O ATOM 656 CB VAL A 42 12.787 -8.376 2.959 1.00 0.40 C ATOM 657 CG1 VAL A 42 11.910 -9.537 2.457 1.00 0.45 C ATOM 658 CG2 VAL A 42 12.243 -7.037 2.443 1.00 0.41 C ATOM 0 H VAL A 42 14.351 -6.841 4.316 1.00 0.36 H new ATOM 0 HA VAL A 42 11.913 -8.276 4.955 1.00 0.37 H new ATOM 0 HB VAL A 42 13.791 -8.524 2.562 1.00 0.40 H new ATOM 0 HG11 VAL A 42 11.852 -9.505 1.369 1.00 0.45 H new ATOM 0 HG12 VAL A 42 12.348 -10.485 2.769 1.00 0.45 H new ATOM 0 HG13 VAL A 42 10.908 -9.444 2.877 1.00 0.45 H new ATOM 0 HG21 VAL A 42 12.166 -7.070 1.356 1.00 0.41 H new ATOM 0 HG22 VAL A 42 11.257 -6.856 2.871 1.00 0.41 H new ATOM 0 HG23 VAL A 42 12.919 -6.233 2.735 1.00 0.41 H new ATOM 668 N THR A 43 14.851 -9.706 5.331 1.00 0.39 N ATOM 669 CA THR A 43 15.548 -10.927 5.785 1.00 0.42 C ATOM 670 C THR A 43 15.752 -10.981 7.327 1.00 0.49 C ATOM 671 O THR A 43 16.321 -11.959 7.826 1.00 0.80 O ATOM 672 CB THR A 43 16.930 -11.062 5.063 1.00 0.45 C ATOM 673 OG1 THR A 43 16.806 -10.691 3.676 1.00 0.46 O ATOM 674 CG2 THR A 43 17.498 -12.484 5.147 1.00 0.50 C ATOM 0 H THR A 43 15.448 -8.881 5.279 1.00 0.39 H new ATOM 0 HA THR A 43 14.903 -11.765 5.521 1.00 0.42 H new ATOM 0 HB THR A 43 17.619 -10.391 5.576 1.00 0.45 H new ATOM 0 HG1 THR A 43 16.717 -9.718 3.604 1.00 0.46 H new ATOM 0 HG21 THR A 43 18.457 -12.524 4.631 1.00 0.50 H new ATOM 0 HG22 THR A 43 17.637 -12.759 6.193 1.00 0.50 H new ATOM 0 HG23 THR A 43 16.804 -13.181 4.677 1.00 0.50 H new ATOM 682 N GLN A 44 15.272 -9.964 8.090 1.00 0.41 N ATOM 683 CA GLN A 44 15.456 -9.944 9.558 1.00 0.44 C ATOM 684 C GLN A 44 14.135 -9.689 10.318 1.00 0.44 C ATOM 685 O GLN A 44 13.705 -10.544 11.100 1.00 0.50 O ATOM 686 CB GLN A 44 16.528 -8.896 9.940 1.00 0.48 C ATOM 687 CG GLN A 44 17.127 -9.082 11.338 1.00 0.65 C ATOM 688 CD GLN A 44 18.306 -8.151 11.626 1.00 0.77 C ATOM 689 OE1 GLN A 44 18.348 -7.012 11.152 1.00 1.02 O ATOM 690 NE2 GLN A 44 19.277 -8.626 12.411 1.00 1.10 N ATOM 0 H GLN A 44 14.764 -9.162 7.717 1.00 0.41 H new ATOM 0 HA GLN A 44 15.798 -10.934 9.861 1.00 0.44 H new ATOM 0 HB2 GLN A 44 17.333 -8.933 9.206 1.00 0.48 H new ATOM 0 HB3 GLN A 44 16.085 -7.902 9.877 1.00 0.48 H new ATOM 0 HG2 GLN A 44 16.350 -8.912 12.083 1.00 0.65 H new ATOM 0 HG3 GLN A 44 17.455 -10.116 11.449 1.00 0.65 H new ATOM 0 HE21 GLN A 44 19.212 -9.572 12.787 1.00 1.10 H new ATOM 0 HE22 GLN A 44 20.083 -8.043 12.635 1.00 1.10 H new ATOM 699 N GLN A 45 13.497 -8.522 10.087 1.00 0.41 N ATOM 700 CA GLN A 45 12.237 -8.159 10.776 1.00 0.43 C ATOM 701 C GLN A 45 10.972 -8.471 9.934 1.00 0.41 C ATOM 702 O GLN A 45 9.852 -8.283 10.423 1.00 0.45 O ATOM 703 CB GLN A 45 12.273 -6.665 11.166 1.00 0.47 C ATOM 704 CG GLN A 45 11.276 -6.274 12.264 1.00 0.59 C ATOM 705 CD GLN A 45 11.476 -4.855 12.798 1.00 0.64 C ATOM 706 OE1 GLN A 45 11.935 -3.965 12.080 1.00 0.65 O ATOM 707 NE2 GLN A 45 11.127 -4.633 14.066 1.00 0.84 N ATOM 0 H GLN A 45 13.831 -7.816 9.431 1.00 0.41 H new ATOM 0 HA GLN A 45 12.168 -8.777 11.671 1.00 0.43 H new ATOM 0 HB2 GLN A 45 13.280 -6.413 11.499 1.00 0.47 H new ATOM 0 HB3 GLN A 45 12.072 -6.065 10.278 1.00 0.47 H new ATOM 0 HG2 GLN A 45 10.263 -6.366 11.872 1.00 0.59 H new ATOM 0 HG3 GLN A 45 11.364 -6.980 13.090 1.00 0.59 H new ATOM 0 HE21 GLN A 45 10.750 -5.393 14.632 1.00 0.84 H new ATOM 0 HE22 GLN A 45 11.237 -3.703 14.470 1.00 0.84 H new ATOM 716 N LEU A 46 11.141 -8.954 8.681 1.00 0.40 N ATOM 717 CA LEU A 46 9.995 -9.270 7.807 1.00 0.40 C ATOM 718 C LEU A 46 10.285 -10.497 6.892 1.00 0.40 C ATOM 719 O LEU A 46 10.190 -10.388 5.665 1.00 0.42 O ATOM 720 CB LEU A 46 9.648 -8.011 6.970 1.00 0.41 C ATOM 721 CG LEU A 46 8.261 -8.004 6.278 1.00 0.40 C ATOM 722 CD1 LEU A 46 7.412 -6.826 6.769 1.00 0.59 C ATOM 723 CD2 LEU A 46 8.408 -7.963 4.752 1.00 0.67 C ATOM 0 H LEU A 46 12.052 -9.131 8.259 1.00 0.40 H new ATOM 0 HA LEU A 46 9.140 -9.545 8.425 1.00 0.40 H new ATOM 0 HB2 LEU A 46 9.709 -7.140 7.622 1.00 0.41 H new ATOM 0 HB3 LEU A 46 10.413 -7.889 6.203 1.00 0.41 H new ATOM 0 HG LEU A 46 7.750 -8.929 6.545 1.00 0.40 H new ATOM 0 HD11 LEU A 46 6.443 -6.842 6.269 1.00 0.59 H new ATOM 0 HD12 LEU A 46 7.266 -6.907 7.846 1.00 0.59 H new ATOM 0 HD13 LEU A 46 7.922 -5.890 6.541 1.00 0.59 H new ATOM 0 HD21 LEU A 46 7.420 -7.959 4.291 1.00 0.67 H new ATOM 0 HD22 LEU A 46 8.947 -7.061 4.463 1.00 0.67 H new ATOM 0 HD23 LEU A 46 8.961 -8.840 4.416 1.00 0.67 H new ATOM 735 N PRO A 47 10.643 -11.690 7.467 1.00 0.42 N ATOM 736 CA PRO A 47 10.939 -12.897 6.663 1.00 0.45 C ATOM 737 C PRO A 47 9.716 -13.796 6.325 1.00 0.47 C ATOM 738 O PRO A 47 9.700 -14.425 5.261 1.00 0.52 O ATOM 739 CB PRO A 47 11.932 -13.641 7.563 1.00 0.49 C ATOM 740 CG PRO A 47 11.517 -13.312 8.961 1.00 0.49 C ATOM 741 CD PRO A 47 10.844 -11.957 8.916 1.00 0.46 C ATOM 0 HA PRO A 47 11.306 -12.628 5.673 1.00 0.45 H new ATOM 0 HB2 PRO A 47 11.896 -14.716 7.384 1.00 0.49 H new ATOM 0 HB3 PRO A 47 12.955 -13.319 7.370 1.00 0.49 H new ATOM 0 HG2 PRO A 47 10.835 -14.069 9.349 1.00 0.49 H new ATOM 0 HG3 PRO A 47 12.381 -13.291 9.625 1.00 0.49 H new ATOM 0 HD2 PRO A 47 9.896 -11.967 9.453 1.00 0.46 H new ATOM 0 HD3 PRO A 47 11.465 -11.190 9.379 1.00 0.46 H new ATOM 749 N HIS A 48 8.708 -13.860 7.221 1.00 0.47 N ATOM 750 CA HIS A 48 7.511 -14.718 7.015 1.00 0.52 C ATOM 751 C HIS A 48 6.463 -14.100 6.066 1.00 0.50 C ATOM 752 O HIS A 48 5.583 -14.821 5.583 1.00 0.57 O ATOM 753 CB HIS A 48 6.854 -15.050 8.369 1.00 0.57 C ATOM 754 CG HIS A 48 7.686 -15.960 9.225 1.00 0.65 C ATOM 755 ND1 HIS A 48 8.675 -15.501 10.071 1.00 0.69 N ATOM 756 CD2 HIS A 48 7.688 -17.310 9.345 1.00 0.79 C ATOM 757 CE1 HIS A 48 9.252 -16.526 10.670 1.00 0.80 C ATOM 758 NE2 HIS A 48 8.671 -17.636 10.246 1.00 0.85 N ATOM 0 H HIS A 48 8.695 -13.331 8.093 1.00 0.47 H new ATOM 0 HA HIS A 48 7.870 -15.628 6.535 1.00 0.52 H new ATOM 0 HB2 HIS A 48 6.667 -14.123 8.911 1.00 0.57 H new ATOM 0 HB3 HIS A 48 5.885 -15.516 8.190 1.00 0.57 H new ATOM 0 HD2 HIS A 48 7.038 -18.000 8.828 1.00 0.79 H new ATOM 0 HE1 HIS A 48 10.060 -16.468 11.384 1.00 0.80 H new ATOM 0 HE2 HIS A 48 8.914 -18.582 10.541 1.00 0.85 H new ATOM 767 N LEU A 49 6.547 -12.780 5.793 1.00 0.46 N ATOM 768 CA LEU A 49 5.581 -12.107 4.903 1.00 0.46 C ATOM 769 C LEU A 49 5.888 -12.397 3.425 1.00 0.45 C ATOM 770 O LEU A 49 5.019 -12.901 2.705 1.00 0.53 O ATOM 771 CB LEU A 49 5.544 -10.585 5.184 1.00 0.47 C ATOM 772 CG LEU A 49 4.474 -9.754 4.429 1.00 0.50 C ATOM 773 CD1 LEU A 49 3.100 -10.422 4.477 1.00 0.87 C ATOM 774 CD2 LEU A 49 4.397 -8.336 5.001 1.00 0.53 C ATOM 0 H LEU A 49 7.267 -12.166 6.173 1.00 0.46 H new ATOM 0 HA LEU A 49 4.591 -12.511 5.114 1.00 0.46 H new ATOM 0 HB2 LEU A 49 5.391 -10.442 6.254 1.00 0.47 H new ATOM 0 HB3 LEU A 49 6.524 -10.173 4.944 1.00 0.47 H new ATOM 0 HG LEU A 49 4.778 -9.699 3.384 1.00 0.50 H new ATOM 0 HD11 LEU A 49 2.378 -9.809 3.937 1.00 0.87 H new ATOM 0 HD12 LEU A 49 3.158 -11.407 4.014 1.00 0.87 H new ATOM 0 HD13 LEU A 49 2.783 -10.527 5.514 1.00 0.87 H new ATOM 0 HD21 LEU A 49 3.642 -7.766 4.460 1.00 0.53 H new ATOM 0 HD22 LEU A 49 4.129 -8.383 6.057 1.00 0.53 H new ATOM 0 HD23 LEU A 49 5.366 -7.847 4.894 1.00 0.53 H new ATOM 786 N LEU A 50 7.121 -12.078 2.978 1.00 0.43 N ATOM 787 CA LEU A 50 7.540 -12.333 1.589 1.00 0.45 C ATOM 788 C LEU A 50 8.309 -13.661 1.526 1.00 0.48 C ATOM 789 O LEU A 50 9.395 -13.781 2.104 1.00 0.54 O ATOM 790 CB LEU A 50 8.400 -11.164 1.042 1.00 0.48 C ATOM 791 CG LEU A 50 7.712 -9.773 1.021 1.00 0.57 C ATOM 792 CD1 LEU A 50 8.709 -8.672 0.652 1.00 0.66 C ATOM 793 CD2 LEU A 50 6.516 -9.753 0.057 1.00 0.73 C ATOM 0 H LEU A 50 7.839 -11.645 3.559 1.00 0.43 H new ATOM 0 HA LEU A 50 6.654 -12.404 0.958 1.00 0.45 H new ATOM 0 HB2 LEU A 50 9.306 -11.091 1.644 1.00 0.48 H new ATOM 0 HB3 LEU A 50 8.711 -11.410 0.027 1.00 0.48 H new ATOM 0 HG LEU A 50 7.340 -9.580 2.027 1.00 0.57 H new ATOM 0 HD11 LEU A 50 8.200 -7.708 0.645 1.00 0.66 H new ATOM 0 HD12 LEU A 50 9.516 -8.651 1.385 1.00 0.66 H new ATOM 0 HD13 LEU A 50 9.122 -8.872 -0.337 1.00 0.66 H new ATOM 0 HD21 LEU A 50 6.057 -8.764 0.067 1.00 0.73 H new ATOM 0 HD22 LEU A 50 6.858 -9.984 -0.952 1.00 0.73 H new ATOM 0 HD23 LEU A 50 5.783 -10.496 0.371 1.00 0.73 H new ATOM 805 N LYS A 51 7.723 -14.668 0.834 1.00 0.55 N ATOM 806 CA LYS A 51 8.330 -16.018 0.693 1.00 0.66 C ATOM 807 C LYS A 51 9.794 -15.978 0.199 1.00 0.63 C ATOM 808 O LYS A 51 10.604 -16.820 0.602 1.00 0.76 O ATOM 809 CB LYS A 51 7.479 -16.919 -0.239 1.00 0.78 C ATOM 810 CG LYS A 51 7.215 -16.351 -1.652 1.00 0.78 C ATOM 811 CD LYS A 51 5.738 -16.004 -1.886 1.00 1.18 C ATOM 812 CE LYS A 51 5.492 -15.394 -3.269 1.00 1.16 C ATOM 813 NZ LYS A 51 5.823 -16.329 -4.389 1.00 1.32 N ATOM 0 H LYS A 51 6.824 -14.571 0.361 1.00 0.55 H new ATOM 0 HA LYS A 51 8.342 -16.446 1.695 1.00 0.66 H new ATOM 0 HB2 LYS A 51 7.979 -17.882 -0.341 1.00 0.78 H new ATOM 0 HB3 LYS A 51 6.520 -17.108 0.243 1.00 0.78 H new ATOM 0 HG2 LYS A 51 7.821 -15.457 -1.799 1.00 0.78 H new ATOM 0 HG3 LYS A 51 7.535 -17.079 -2.397 1.00 0.78 H new ATOM 0 HD2 LYS A 51 5.135 -16.905 -1.777 1.00 1.18 H new ATOM 0 HD3 LYS A 51 5.406 -15.304 -1.119 1.00 1.18 H new ATOM 0 HE2 LYS A 51 4.446 -15.097 -3.348 1.00 1.16 H new ATOM 0 HE3 LYS A 51 6.089 -14.488 -3.371 1.00 1.16 H new ATOM 0 HZ1 LYS A 51 5.573 -15.886 -5.296 1.00 1.32 H new ATOM 0 HZ2 LYS A 51 6.841 -16.540 -4.376 1.00 1.32 H new ATOM 0 HZ3 LYS A 51 5.285 -17.212 -4.275 1.00 1.32 H new ATOM 827 N ASP A 52 10.124 -14.995 -0.664 1.00 0.64 N ATOM 828 CA ASP A 52 11.482 -14.838 -1.204 1.00 0.71 C ATOM 829 C ASP A 52 12.303 -13.877 -0.323 1.00 0.59 C ATOM 830 O ASP A 52 12.233 -12.656 -0.497 1.00 0.73 O ATOM 831 CB ASP A 52 11.426 -14.331 -2.662 1.00 0.99 C ATOM 832 CG ASP A 52 10.862 -15.364 -3.633 1.00 1.46 C ATOM 833 OD1 ASP A 52 11.590 -16.322 -3.970 1.00 2.02 O ATOM 834 OD2 ASP A 52 9.697 -15.210 -4.056 1.00 2.08 O ATOM 0 H ASP A 52 9.461 -14.297 -1.001 1.00 0.64 H new ATOM 0 HA ASP A 52 11.974 -15.811 -1.199 1.00 0.71 H new ATOM 0 HB2 ASP A 52 10.814 -13.430 -2.704 1.00 0.99 H new ATOM 0 HB3 ASP A 52 12.430 -14.050 -2.982 1.00 0.99 H new ATOM 839 N VAL A 53 13.059 -14.443 0.642 1.00 0.51 N ATOM 840 CA VAL A 53 13.910 -13.645 1.559 1.00 0.52 C ATOM 841 C VAL A 53 15.281 -13.326 0.929 1.00 0.56 C ATOM 842 O VAL A 53 15.864 -12.274 1.217 1.00 0.71 O ATOM 843 CB VAL A 53 14.118 -14.330 2.960 1.00 0.59 C ATOM 844 CG1 VAL A 53 12.824 -14.305 3.781 1.00 0.65 C ATOM 845 CG2 VAL A 53 14.654 -15.767 2.837 1.00 0.64 C ATOM 0 H VAL A 53 13.099 -15.449 0.808 1.00 0.51 H new ATOM 0 HA VAL A 53 13.366 -12.715 1.724 1.00 0.52 H new ATOM 0 HB VAL A 53 14.876 -13.748 3.485 1.00 0.59 H new ATOM 0 HG11 VAL A 53 12.995 -14.785 4.745 1.00 0.65 H new ATOM 0 HG12 VAL A 53 12.514 -13.272 3.940 1.00 0.65 H new ATOM 0 HG13 VAL A 53 12.041 -14.840 3.243 1.00 0.65 H new ATOM 0 HG21 VAL A 53 14.780 -16.195 3.832 1.00 0.64 H new ATOM 0 HG22 VAL A 53 13.947 -16.372 2.269 1.00 0.64 H new ATOM 0 HG23 VAL A 53 15.615 -15.754 2.323 1.00 0.64 H new ATOM 855 N GLY A 54 15.796 -14.246 0.088 1.00 0.53 N ATOM 856 CA GLY A 54 17.078 -14.050 -0.589 1.00 0.64 C ATOM 857 C GLY A 54 16.926 -13.616 -2.050 1.00 0.61 C ATOM 858 O GLY A 54 17.856 -13.031 -2.612 1.00 0.83 O ATOM 0 H GLY A 54 15.337 -15.130 -0.133 1.00 0.53 H new ATOM 0 HA2 GLY A 54 17.655 -13.298 -0.051 1.00 0.64 H new ATOM 0 HA3 GLY A 54 17.649 -14.978 -0.549 1.00 0.64 H new ATOM 862 N SER A 55 15.756 -13.906 -2.672 1.00 0.57 N ATOM 863 CA SER A 55 15.491 -13.547 -4.076 1.00 0.58 C ATOM 864 C SER A 55 14.700 -12.223 -4.182 1.00 0.51 C ATOM 865 O SER A 55 13.496 -12.226 -4.464 1.00 0.62 O ATOM 866 CB SER A 55 14.744 -14.699 -4.780 1.00 0.74 C ATOM 867 OG SER A 55 14.516 -14.413 -6.151 1.00 0.85 O ATOM 0 H SER A 55 14.982 -14.389 -2.216 1.00 0.57 H new ATOM 0 HA SER A 55 16.446 -13.390 -4.577 1.00 0.58 H new ATOM 0 HB2 SER A 55 15.324 -15.618 -4.691 1.00 0.74 H new ATOM 0 HB3 SER A 55 13.791 -14.874 -4.281 1.00 0.74 H new ATOM 0 HG SER A 55 14.043 -15.163 -6.567 1.00 0.85 H new ATOM 873 N LEU A 56 15.395 -11.091 -3.933 1.00 0.49 N ATOM 874 CA LEU A 56 14.793 -9.739 -4.019 1.00 0.53 C ATOM 875 C LEU A 56 15.207 -9.017 -5.330 1.00 0.58 C ATOM 876 O LEU A 56 14.995 -7.808 -5.458 1.00 1.03 O ATOM 877 CB LEU A 56 15.205 -8.880 -2.790 1.00 0.67 C ATOM 878 CG LEU A 56 14.382 -9.057 -1.484 1.00 0.83 C ATOM 879 CD1 LEU A 56 12.946 -8.533 -1.642 1.00 1.22 C ATOM 880 CD2 LEU A 56 14.380 -10.517 -1.014 1.00 1.21 C ATOM 0 H LEU A 56 16.380 -11.086 -3.669 1.00 0.49 H new ATOM 0 HA LEU A 56 13.710 -9.861 -4.024 1.00 0.53 H new ATOM 0 HB2 LEU A 56 16.249 -9.097 -2.562 1.00 0.67 H new ATOM 0 HB3 LEU A 56 15.154 -7.831 -3.080 1.00 0.67 H new ATOM 0 HG LEU A 56 14.872 -8.458 -0.716 1.00 0.83 H new ATOM 0 HD11 LEU A 56 12.402 -8.674 -0.708 1.00 1.22 H new ATOM 0 HD12 LEU A 56 12.971 -7.472 -1.890 1.00 1.22 H new ATOM 0 HD13 LEU A 56 12.445 -9.081 -2.440 1.00 1.22 H new ATOM 0 HD21 LEU A 56 13.795 -10.604 -0.098 1.00 1.21 H new ATOM 0 HD22 LEU A 56 13.940 -11.147 -1.787 1.00 1.21 H new ATOM 0 HD23 LEU A 56 15.404 -10.839 -0.823 1.00 1.21 H new ATOM 892 N ASP A 57 15.784 -9.759 -6.311 1.00 0.49 N ATOM 893 CA ASP A 57 16.219 -9.169 -7.600 1.00 0.53 C ATOM 894 C ASP A 57 15.014 -8.757 -8.472 1.00 0.47 C ATOM 895 O ASP A 57 15.073 -7.736 -9.165 1.00 0.50 O ATOM 896 CB ASP A 57 17.156 -10.125 -8.383 1.00 0.67 C ATOM 897 CG ASP A 57 16.538 -11.484 -8.697 1.00 0.70 C ATOM 898 OD1 ASP A 57 15.860 -11.601 -9.740 1.00 0.77 O ATOM 899 OD2 ASP A 57 16.739 -12.425 -7.900 1.00 0.77 O ATOM 0 H ASP A 57 15.957 -10.761 -6.233 1.00 0.49 H new ATOM 0 HA ASP A 57 16.785 -8.269 -7.358 1.00 0.53 H new ATOM 0 HB2 ASP A 57 17.448 -9.646 -9.318 1.00 0.67 H new ATOM 0 HB3 ASP A 57 18.067 -10.277 -7.805 1.00 0.67 H new ATOM 904 N GLU A 58 13.926 -9.560 -8.430 1.00 0.46 N ATOM 905 CA GLU A 58 12.698 -9.272 -9.200 1.00 0.51 C ATOM 906 C GLU A 58 11.946 -8.040 -8.638 1.00 0.47 C ATOM 907 O GLU A 58 11.255 -7.348 -9.394 1.00 0.56 O ATOM 908 CB GLU A 58 11.763 -10.508 -9.212 1.00 0.60 C ATOM 909 CG GLU A 58 10.615 -10.424 -10.225 1.00 0.79 C ATOM 910 CD GLU A 58 9.687 -11.626 -10.171 1.00 0.92 C ATOM 911 OE1 GLU A 58 8.794 -11.650 -9.295 1.00 1.02 O ATOM 912 OE2 GLU A 58 9.847 -12.541 -11.008 1.00 1.09 O ATOM 0 H GLU A 58 13.875 -10.412 -7.871 1.00 0.46 H new ATOM 0 HA GLU A 58 12.999 -9.042 -10.222 1.00 0.51 H new ATOM 0 HB2 GLU A 58 12.357 -11.396 -9.428 1.00 0.60 H new ATOM 0 HB3 GLU A 58 11.343 -10.640 -8.215 1.00 0.60 H new ATOM 0 HG2 GLU A 58 10.038 -9.518 -10.038 1.00 0.79 H new ATOM 0 HG3 GLU A 58 11.030 -10.337 -11.229 1.00 0.79 H new ATOM 919 N LYS A 59 12.088 -7.766 -7.318 1.00 0.42 N ATOM 920 CA LYS A 59 11.419 -6.617 -6.672 1.00 0.47 C ATOM 921 C LYS A 59 12.300 -5.362 -6.753 1.00 0.53 C ATOM 922 O LYS A 59 11.808 -4.293 -7.114 1.00 0.91 O ATOM 923 CB LYS A 59 11.065 -6.924 -5.193 1.00 0.52 C ATOM 924 CG LYS A 59 9.926 -7.937 -4.999 1.00 0.60 C ATOM 925 CD LYS A 59 10.381 -9.378 -5.242 1.00 0.81 C ATOM 926 CE LYS A 59 9.255 -10.390 -5.056 1.00 1.17 C ATOM 927 NZ LYS A 59 9.728 -11.790 -5.275 1.00 1.55 N ATOM 0 H LYS A 59 12.659 -8.325 -6.684 1.00 0.42 H new ATOM 0 HA LYS A 59 10.490 -6.433 -7.212 1.00 0.47 H new ATOM 0 HB2 LYS A 59 11.956 -7.301 -4.692 1.00 0.52 H new ATOM 0 HB3 LYS A 59 10.791 -5.992 -4.699 1.00 0.52 H new ATOM 0 HG2 LYS A 59 9.533 -7.849 -3.986 1.00 0.60 H new ATOM 0 HG3 LYS A 59 9.109 -7.697 -5.680 1.00 0.60 H new ATOM 0 HD2 LYS A 59 10.778 -9.464 -6.254 1.00 0.81 H new ATOM 0 HD3 LYS A 59 11.196 -9.618 -4.559 1.00 0.81 H new ATOM 0 HE2 LYS A 59 8.845 -10.298 -4.050 1.00 1.17 H new ATOM 0 HE3 LYS A 59 8.446 -10.166 -5.752 1.00 1.17 H new ATOM 0 HZ1 LYS A 59 8.935 -12.449 -5.140 1.00 1.55 H new ATOM 0 HZ2 LYS A 59 10.096 -11.885 -6.243 1.00 1.55 H new ATOM 0 HZ3 LYS A 59 10.483 -12.012 -4.595 1.00 1.55 H new ATOM 941 N MET A 60 13.610 -5.513 -6.446 1.00 0.39 N ATOM 942 CA MET A 60 14.580 -4.391 -6.471 1.00 0.41 C ATOM 943 C MET A 60 14.623 -3.671 -7.840 1.00 0.42 C ATOM 944 O MET A 60 14.846 -2.456 -7.884 1.00 0.46 O ATOM 945 CB MET A 60 15.987 -4.896 -6.083 1.00 0.45 C ATOM 946 CG MET A 60 16.998 -3.783 -5.797 1.00 0.53 C ATOM 947 SD MET A 60 18.632 -4.401 -5.323 1.00 0.66 S ATOM 948 CE MET A 60 19.245 -5.039 -6.885 1.00 0.84 C ATOM 0 H MET A 60 14.022 -6.406 -6.176 1.00 0.39 H new ATOM 0 HA MET A 60 14.242 -3.657 -5.739 1.00 0.41 H new ATOM 0 HB2 MET A 60 15.902 -5.530 -5.200 1.00 0.45 H new ATOM 0 HB3 MET A 60 16.371 -5.522 -6.889 1.00 0.45 H new ATOM 0 HG2 MET A 60 17.098 -3.156 -6.683 1.00 0.53 H new ATOM 0 HG3 MET A 60 16.612 -3.148 -4.999 1.00 0.53 H new ATOM 0 HE1 MET A 60 20.287 -5.337 -6.772 1.00 0.84 H new ATOM 0 HE2 MET A 60 18.651 -5.903 -7.184 1.00 0.84 H new ATOM 0 HE3 MET A 60 19.170 -4.265 -7.649 1.00 0.84 H new ATOM 958 N LYS A 61 14.418 -4.419 -8.947 1.00 0.44 N ATOM 959 CA LYS A 61 14.413 -3.833 -10.306 1.00 0.49 C ATOM 960 C LYS A 61 13.203 -2.901 -10.507 1.00 0.46 C ATOM 961 O LYS A 61 13.346 -1.817 -11.086 1.00 0.49 O ATOM 962 CB LYS A 61 14.415 -4.939 -11.383 1.00 0.59 C ATOM 963 CG LYS A 61 15.778 -5.615 -11.595 1.00 0.70 C ATOM 964 CD LYS A 61 16.788 -4.717 -12.325 1.00 1.11 C ATOM 965 CE LYS A 61 16.424 -4.483 -13.793 1.00 1.90 C ATOM 966 NZ LYS A 61 17.230 -3.388 -14.402 1.00 2.56 N ATOM 0 H LYS A 61 14.254 -5.426 -8.926 1.00 0.44 H new ATOM 0 HA LYS A 61 15.323 -3.242 -10.411 1.00 0.49 H new ATOM 0 HB2 LYS A 61 13.685 -5.700 -11.107 1.00 0.59 H new ATOM 0 HB3 LYS A 61 14.085 -4.509 -12.329 1.00 0.59 H new ATOM 0 HG2 LYS A 61 16.189 -5.902 -10.627 1.00 0.70 H new ATOM 0 HG3 LYS A 61 15.637 -6.533 -12.166 1.00 0.70 H new ATOM 0 HD2 LYS A 61 16.849 -3.756 -11.813 1.00 1.11 H new ATOM 0 HD3 LYS A 61 17.777 -5.171 -12.269 1.00 1.11 H new ATOM 0 HE2 LYS A 61 16.580 -5.403 -14.356 1.00 1.90 H new ATOM 0 HE3 LYS A 61 15.365 -4.238 -13.869 1.00 1.90 H new ATOM 0 HZ1 LYS A 61 16.951 -3.263 -15.396 1.00 2.56 H new ATOM 0 HZ2 LYS A 61 17.063 -2.503 -13.882 1.00 2.56 H new ATOM 0 HZ3 LYS A 61 18.240 -3.632 -14.354 1.00 2.56 H new ATOM 980 N SER A 62 12.015 -3.331 -10.030 1.00 0.44 N ATOM 981 CA SER A 62 10.787 -2.519 -10.132 1.00 0.46 C ATOM 982 C SER A 62 10.851 -1.289 -9.204 1.00 0.43 C ATOM 983 O SER A 62 10.302 -0.235 -9.540 1.00 0.47 O ATOM 984 CB SER A 62 9.546 -3.358 -9.798 1.00 0.53 C ATOM 985 OG SER A 62 9.358 -4.395 -10.746 1.00 0.61 O ATOM 0 H SER A 62 11.882 -4.233 -9.572 1.00 0.44 H new ATOM 0 HA SER A 62 10.712 -2.172 -11.162 1.00 0.46 H new ATOM 0 HB2 SER A 62 9.651 -3.787 -8.802 1.00 0.53 H new ATOM 0 HB3 SER A 62 8.665 -2.717 -9.777 1.00 0.53 H new ATOM 0 HG SER A 62 8.562 -4.915 -10.509 1.00 0.61 H new ATOM 991 N LEU A 63 11.531 -1.433 -8.038 1.00 0.40 N ATOM 992 CA LEU A 63 11.676 -0.329 -7.068 1.00 0.43 C ATOM 993 C LEU A 63 12.652 0.734 -7.593 1.00 0.45 C ATOM 994 O LEU A 63 12.303 1.912 -7.655 1.00 0.53 O ATOM 995 CB LEU A 63 12.171 -0.837 -5.690 1.00 0.45 C ATOM 996 CG LEU A 63 11.323 -1.938 -5.012 1.00 0.42 C ATOM 997 CD1 LEU A 63 12.061 -2.532 -3.814 1.00 0.48 C ATOM 998 CD2 LEU A 63 9.948 -1.411 -4.589 1.00 0.68 C ATOM 0 H LEU A 63 11.984 -2.301 -7.752 1.00 0.40 H new ATOM 0 HA LEU A 63 10.688 0.113 -6.942 1.00 0.43 H new ATOM 0 HB2 LEU A 63 13.186 -1.215 -5.811 1.00 0.45 H new ATOM 0 HB3 LEU A 63 12.227 0.015 -5.013 1.00 0.45 H new ATOM 0 HG LEU A 63 11.164 -2.727 -5.747 1.00 0.42 H new ATOM 0 HD11 LEU A 63 11.445 -3.304 -3.353 1.00 0.48 H new ATOM 0 HD12 LEU A 63 13.002 -2.969 -4.147 1.00 0.48 H new ATOM 0 HD13 LEU A 63 12.263 -1.747 -3.086 1.00 0.48 H new ATOM 0 HD21 LEU A 63 9.381 -2.213 -4.116 1.00 0.68 H new ATOM 0 HD22 LEU A 63 10.074 -0.591 -3.883 1.00 0.68 H new ATOM 0 HD23 LEU A 63 9.409 -1.054 -5.467 1.00 0.68 H new ATOM 1010 N ASP A 64 13.870 0.310 -7.989 1.00 0.45 N ATOM 1011 CA ASP A 64 14.892 1.238 -8.500 1.00 0.51 C ATOM 1012 C ASP A 64 14.710 1.501 -10.011 1.00 0.50 C ATOM 1013 O ASP A 64 15.576 1.156 -10.826 1.00 0.54 O ATOM 1014 CB ASP A 64 16.309 0.703 -8.186 1.00 0.60 C ATOM 1015 CG ASP A 64 17.384 1.779 -8.284 1.00 0.83 C ATOM 1016 OD1 ASP A 64 17.291 2.780 -7.540 1.00 1.39 O ATOM 1017 OD2 ASP A 64 18.313 1.620 -9.103 1.00 1.28 O ATOM 0 H ASP A 64 14.166 -0.666 -7.964 1.00 0.45 H new ATOM 0 HA ASP A 64 14.769 2.194 -7.992 1.00 0.51 H new ATOM 0 HB2 ASP A 64 16.317 0.278 -7.182 1.00 0.60 H new ATOM 0 HB3 ASP A 64 16.548 -0.106 -8.876 1.00 0.60 H new ATOM 1022 N VAL A 65 13.562 2.109 -10.378 1.00 0.51 N ATOM 1023 CA VAL A 65 13.262 2.454 -11.779 1.00 0.55 C ATOM 1024 C VAL A 65 13.840 3.853 -12.124 1.00 0.55 C ATOM 1025 O VAL A 65 14.236 4.096 -13.267 1.00 0.60 O ATOM 1026 CB VAL A 65 11.721 2.372 -12.079 1.00 0.64 C ATOM 1027 CG1 VAL A 65 10.928 3.502 -11.406 1.00 0.67 C ATOM 1028 CG2 VAL A 65 11.436 2.318 -13.587 1.00 0.73 C ATOM 0 H VAL A 65 12.828 2.370 -9.720 1.00 0.51 H new ATOM 0 HA VAL A 65 13.746 1.719 -12.422 1.00 0.55 H new ATOM 0 HB VAL A 65 11.375 1.436 -11.640 1.00 0.64 H new ATOM 0 HG11 VAL A 65 9.870 3.397 -11.646 1.00 0.67 H new ATOM 0 HG12 VAL A 65 11.062 3.447 -10.326 1.00 0.67 H new ATOM 0 HG13 VAL A 65 11.288 4.465 -11.768 1.00 0.67 H new ATOM 0 HG21 VAL A 65 10.360 2.262 -13.752 1.00 0.73 H new ATOM 0 HG22 VAL A 65 11.830 3.215 -14.064 1.00 0.73 H new ATOM 0 HG23 VAL A 65 11.915 1.438 -14.017 1.00 0.73 H new ATOM 1038 N ASN A 66 13.890 4.757 -11.112 1.00 0.56 N ATOM 1039 CA ASN A 66 14.448 6.121 -11.267 1.00 0.60 C ATOM 1040 C ASN A 66 15.989 6.069 -11.431 1.00 0.59 C ATOM 1041 O ASN A 66 16.571 6.936 -12.085 1.00 0.66 O ATOM 1042 CB ASN A 66 14.068 6.992 -10.039 1.00 0.67 C ATOM 1043 CG ASN A 66 14.075 8.499 -10.315 1.00 0.94 C ATOM 1044 OD1 ASN A 66 14.865 8.993 -11.121 1.00 1.29 O ATOM 1045 ND2 ASN A 66 13.193 9.244 -9.641 1.00 1.44 N ATOM 0 H ASN A 66 13.546 4.560 -10.172 1.00 0.56 H new ATOM 0 HA ASN A 66 14.024 6.568 -12.166 1.00 0.60 H new ATOM 0 HB2 ASN A 66 13.076 6.701 -9.694 1.00 0.67 H new ATOM 0 HB3 ASN A 66 14.763 6.779 -9.227 1.00 0.67 H new ATOM 0 HD21 ASN A 66 13.161 10.253 -9.787 1.00 1.44 H new ATOM 0 HD22 ASN A 66 12.553 8.803 -8.981 1.00 1.44 H new ATOM 1052 N GLN A 67 16.634 5.044 -10.812 1.00 0.55 N ATOM 1053 CA GLN A 67 18.097 4.824 -10.869 1.00 0.60 C ATOM 1054 C GLN A 67 18.900 5.966 -10.203 1.00 0.63 C ATOM 1055 O GLN A 67 19.418 6.856 -10.887 1.00 0.78 O ATOM 1056 CB GLN A 67 18.591 4.578 -12.320 1.00 0.70 C ATOM 1057 CG GLN A 67 17.997 3.331 -12.989 1.00 0.88 C ATOM 1058 CD GLN A 67 18.841 2.792 -14.152 1.00 1.20 C ATOM 1059 OE1 GLN A 67 20.074 2.844 -14.121 1.00 1.96 O ATOM 1060 NE2 GLN A 67 18.182 2.268 -15.191 1.00 1.86 N ATOM 0 H GLN A 67 16.145 4.343 -10.255 1.00 0.55 H new ATOM 0 HA GLN A 67 18.284 3.919 -10.291 1.00 0.60 H new ATOM 0 HB2 GLN A 67 18.349 5.451 -12.926 1.00 0.70 H new ATOM 0 HB3 GLN A 67 19.677 4.488 -12.311 1.00 0.70 H new ATOM 0 HG2 GLN A 67 17.884 2.547 -12.240 1.00 0.88 H new ATOM 0 HG3 GLN A 67 16.998 3.568 -13.356 1.00 0.88 H new ATOM 0 HE21 GLN A 67 17.162 2.240 -15.186 1.00 1.86 H new ATOM 0 HE22 GLN A 67 18.699 1.897 -15.988 1.00 1.86 H new ATOM 1069 N ASP A 68 18.962 5.946 -8.851 1.00 0.62 N ATOM 1070 CA ASP A 68 19.729 6.950 -8.071 1.00 0.71 C ATOM 1071 C ASP A 68 20.093 6.449 -6.636 1.00 0.77 C ATOM 1072 O ASP A 68 20.454 7.261 -5.774 1.00 1.32 O ATOM 1073 CB ASP A 68 18.935 8.277 -7.990 1.00 0.78 C ATOM 1074 CG ASP A 68 19.828 9.494 -7.785 1.00 1.08 C ATOM 1075 OD1 ASP A 68 20.468 9.933 -8.765 1.00 1.41 O ATOM 1076 OD2 ASP A 68 19.887 10.005 -6.647 1.00 1.37 O ATOM 0 H ASP A 68 18.491 5.247 -8.277 1.00 0.62 H new ATOM 0 HA ASP A 68 20.669 7.115 -8.597 1.00 0.71 H new ATOM 0 HB2 ASP A 68 18.359 8.406 -8.907 1.00 0.78 H new ATOM 0 HB3 ASP A 68 18.219 8.216 -7.170 1.00 0.78 H new ATOM 1081 N SER A 69 20.021 5.112 -6.388 1.00 0.62 N ATOM 1082 CA SER A 69 20.326 4.501 -5.068 1.00 0.67 C ATOM 1083 C SER A 69 19.473 5.091 -3.908 1.00 0.68 C ATOM 1084 O SER A 69 19.894 5.055 -2.745 1.00 1.24 O ATOM 1085 CB SER A 69 21.830 4.617 -4.752 1.00 0.82 C ATOM 1086 OG SER A 69 22.612 4.013 -5.771 1.00 1.31 O ATOM 0 H SER A 69 19.750 4.431 -7.097 1.00 0.62 H new ATOM 0 HA SER A 69 20.055 3.448 -5.144 1.00 0.67 H new ATOM 0 HB2 SER A 69 22.104 5.667 -4.652 1.00 0.82 H new ATOM 0 HB3 SER A 69 22.042 4.140 -3.795 1.00 0.82 H new ATOM 0 HG SER A 69 23.563 4.101 -5.549 1.00 1.31 H new ATOM 1092 N GLU A 70 18.267 5.611 -4.230 1.00 0.66 N ATOM 1093 CA GLU A 70 17.361 6.200 -3.228 1.00 0.77 C ATOM 1094 C GLU A 70 15.926 5.722 -3.473 1.00 0.64 C ATOM 1095 O GLU A 70 15.224 6.254 -4.342 1.00 0.75 O ATOM 1096 CB GLU A 70 17.434 7.740 -3.258 1.00 1.13 C ATOM 1097 CG GLU A 70 18.759 8.298 -2.739 1.00 1.41 C ATOM 1098 CD GLU A 70 18.824 9.818 -2.756 1.00 1.90 C ATOM 1099 OE1 GLU A 70 18.009 10.457 -2.057 1.00 2.41 O ATOM 1100 OE2 GLU A 70 19.696 10.365 -3.466 1.00 2.42 O ATOM 0 H GLU A 70 17.901 5.633 -5.182 1.00 0.66 H new ATOM 0 HA GLU A 70 17.677 5.869 -2.239 1.00 0.77 H new ATOM 0 HB2 GLU A 70 17.280 8.083 -4.281 1.00 1.13 H new ATOM 0 HB3 GLU A 70 16.619 8.146 -2.660 1.00 1.13 H new ATOM 0 HG2 GLU A 70 18.918 7.947 -1.720 1.00 1.41 H new ATOM 0 HG3 GLU A 70 19.574 7.900 -3.344 1.00 1.41 H new ATOM 1107 N LEU A 71 15.501 4.703 -2.707 1.00 0.57 N ATOM 1108 CA LEU A 71 14.158 4.133 -2.837 1.00 0.51 C ATOM 1109 C LEU A 71 13.119 4.975 -2.071 1.00 0.51 C ATOM 1110 O LEU A 71 12.737 4.642 -0.942 1.00 0.53 O ATOM 1111 CB LEU A 71 14.146 2.659 -2.362 1.00 0.53 C ATOM 1112 CG LEU A 71 14.680 1.608 -3.371 1.00 0.66 C ATOM 1113 CD1 LEU A 71 16.191 1.747 -3.599 1.00 0.95 C ATOM 1114 CD2 LEU A 71 14.336 0.188 -2.906 1.00 0.74 C ATOM 0 H LEU A 71 16.074 4.259 -1.990 1.00 0.57 H new ATOM 0 HA LEU A 71 13.881 4.152 -3.891 1.00 0.51 H new ATOM 0 HB2 LEU A 71 14.738 2.589 -1.449 1.00 0.53 H new ATOM 0 HB3 LEU A 71 13.122 2.392 -2.100 1.00 0.53 H new ATOM 0 HG LEU A 71 14.187 1.795 -4.325 1.00 0.66 H new ATOM 0 HD11 LEU A 71 16.522 0.992 -4.312 1.00 0.95 H new ATOM 0 HD12 LEU A 71 16.410 2.739 -3.993 1.00 0.95 H new ATOM 0 HD13 LEU A 71 16.716 1.609 -2.654 1.00 0.95 H new ATOM 0 HD21 LEU A 71 14.719 -0.534 -3.627 1.00 0.74 H new ATOM 0 HD22 LEU A 71 14.790 0.004 -1.932 1.00 0.74 H new ATOM 0 HD23 LEU A 71 13.254 0.083 -2.827 1.00 0.74 H new ATOM 1126 N LYS A 72 12.683 6.087 -2.702 1.00 0.53 N ATOM 1127 CA LYS A 72 11.658 6.987 -2.129 1.00 0.56 C ATOM 1128 C LYS A 72 10.306 6.246 -2.115 1.00 0.50 C ATOM 1129 O LYS A 72 10.143 5.306 -2.881 1.00 0.48 O ATOM 1130 CB LYS A 72 11.564 8.280 -2.977 1.00 0.63 C ATOM 1131 CG LYS A 72 10.674 9.375 -2.385 1.00 0.86 C ATOM 1132 CD LYS A 72 10.567 10.595 -3.306 1.00 1.00 C ATOM 1133 CE LYS A 72 9.601 11.645 -2.754 1.00 1.43 C ATOM 1134 NZ LYS A 72 8.164 11.247 -2.896 1.00 1.89 N ATOM 0 H LYS A 72 13.028 6.384 -3.615 1.00 0.53 H new ATOM 0 HA LYS A 72 11.927 7.267 -1.111 1.00 0.56 H new ATOM 0 HB2 LYS A 72 12.568 8.682 -3.113 1.00 0.63 H new ATOM 0 HB3 LYS A 72 11.188 8.022 -3.967 1.00 0.63 H new ATOM 0 HG2 LYS A 72 9.678 8.972 -2.202 1.00 0.86 H new ATOM 0 HG3 LYS A 72 11.075 9.685 -1.420 1.00 0.86 H new ATOM 0 HD2 LYS A 72 11.553 11.041 -3.434 1.00 1.00 H new ATOM 0 HD3 LYS A 72 10.231 10.276 -4.293 1.00 1.00 H new ATOM 0 HE2 LYS A 72 9.823 11.817 -1.701 1.00 1.43 H new ATOM 0 HE3 LYS A 72 9.764 12.590 -3.273 1.00 1.43 H new ATOM 0 HZ1 LYS A 72 7.556 11.995 -2.506 1.00 1.89 H new ATOM 0 HZ2 LYS A 72 7.940 11.109 -3.902 1.00 1.89 H new ATOM 0 HZ3 LYS A 72 7.997 10.360 -2.379 1.00 1.89 H new ATOM 1148 N PHE A 73 9.333 6.665 -1.271 1.00 0.53 N ATOM 1149 CA PHE A 73 8.014 5.972 -1.205 1.00 0.50 C ATOM 1150 C PHE A 73 7.285 5.927 -2.570 1.00 0.47 C ATOM 1151 O PHE A 73 6.434 5.059 -2.778 1.00 0.47 O ATOM 1152 CB PHE A 73 7.092 6.562 -0.112 1.00 0.56 C ATOM 1153 CG PHE A 73 6.471 5.491 0.768 1.00 0.69 C ATOM 1154 CD1 PHE A 73 5.383 4.746 0.321 1.00 0.89 C ATOM 1155 CD2 PHE A 73 6.995 5.205 2.024 1.00 0.87 C ATOM 1156 CE1 PHE A 73 4.840 3.749 1.107 1.00 1.12 C ATOM 1157 CE2 PHE A 73 6.449 4.213 2.813 1.00 1.11 C ATOM 1158 CZ PHE A 73 5.373 3.483 2.356 1.00 1.20 C ATOM 0 H PHE A 73 9.427 7.460 -0.638 1.00 0.53 H new ATOM 0 HA PHE A 73 8.244 4.943 -0.929 1.00 0.50 H new ATOM 0 HB2 PHE A 73 7.665 7.250 0.509 1.00 0.56 H new ATOM 0 HB3 PHE A 73 6.300 7.143 -0.585 1.00 0.56 H new ATOM 0 HD1 PHE A 73 4.959 4.950 -0.651 1.00 0.89 H new ATOM 0 HD2 PHE A 73 7.842 5.768 2.388 1.00 0.87 H new ATOM 0 HE1 PHE A 73 3.998 3.176 0.747 1.00 1.12 H new ATOM 0 HE2 PHE A 73 6.865 4.009 3.789 1.00 1.11 H new ATOM 0 HZ PHE A 73 4.947 2.705 2.972 1.00 1.20 H new ATOM 1168 N ASN A 74 7.610 6.868 -3.484 1.00 0.49 N ATOM 1169 CA ASN A 74 7.032 6.885 -4.843 1.00 0.51 C ATOM 1170 C ASN A 74 7.564 5.678 -5.662 1.00 0.49 C ATOM 1171 O ASN A 74 6.859 5.155 -6.526 1.00 0.53 O ATOM 1172 CB ASN A 74 7.375 8.217 -5.554 1.00 0.57 C ATOM 1173 CG ASN A 74 6.677 8.383 -6.905 1.00 0.65 C ATOM 1174 OD1 ASN A 74 5.537 9.077 -6.928 1.00 0.98 O flip ATOM 1175 ND2 ASN A 74 7.167 7.896 -7.925 1.00 0.91 N flip ATOM 0 H ASN A 74 8.270 7.625 -3.304 1.00 0.49 H new ATOM 0 HA ASN A 74 5.948 6.804 -4.768 1.00 0.51 H new ATOM 0 HB2 ASN A 74 7.097 9.048 -4.906 1.00 0.57 H new ATOM 0 HB3 ASN A 74 8.453 8.274 -5.701 1.00 0.57 H new ATOM 0 HD21 ASN A 74 8.040 7.371 -7.871 1.00 0.91 H new ATOM 0 HD22 ASN A 74 6.700 8.018 -8.823 1.00 0.91 H new ATOM 1182 N GLU A 75 8.824 5.271 -5.382 1.00 0.46 N ATOM 1183 CA GLU A 75 9.477 4.120 -6.040 1.00 0.47 C ATOM 1184 C GLU A 75 9.328 2.842 -5.186 1.00 0.43 C ATOM 1185 O GLU A 75 9.082 1.759 -5.724 1.00 0.44 O ATOM 1186 CB GLU A 75 10.973 4.429 -6.281 1.00 0.53 C ATOM 1187 CG GLU A 75 11.259 5.233 -7.555 1.00 0.61 C ATOM 1188 CD GLU A 75 11.006 6.725 -7.398 1.00 0.78 C ATOM 1189 OE1 GLU A 75 9.867 7.167 -7.651 1.00 1.03 O ATOM 1190 OE2 GLU A 75 11.953 7.451 -7.021 1.00 0.98 O ATOM 0 H GLU A 75 9.416 5.734 -4.692 1.00 0.46 H new ATOM 0 HA GLU A 75 8.989 3.948 -6.999 1.00 0.47 H new ATOM 0 HB2 GLU A 75 11.360 4.980 -5.424 1.00 0.53 H new ATOM 0 HB3 GLU A 75 11.522 3.489 -6.329 1.00 0.53 H new ATOM 0 HG2 GLU A 75 12.297 5.077 -7.849 1.00 0.61 H new ATOM 0 HG3 GLU A 75 10.638 4.850 -8.365 1.00 0.61 H new ATOM 1197 N TYR A 76 9.466 2.994 -3.849 1.00 0.42 N ATOM 1198 CA TYR A 76 9.346 1.888 -2.873 1.00 0.41 C ATOM 1199 C TYR A 76 7.889 1.363 -2.753 1.00 0.39 C ATOM 1200 O TYR A 76 7.663 0.317 -2.136 1.00 0.52 O ATOM 1201 CB TYR A 76 9.872 2.364 -1.491 1.00 0.44 C ATOM 1202 CG TYR A 76 9.928 1.297 -0.397 1.00 0.45 C ATOM 1203 CD1 TYR A 76 10.723 0.160 -0.535 1.00 0.52 C ATOM 1204 CD2 TYR A 76 9.194 1.436 0.782 1.00 0.51 C ATOM 1205 CE1 TYR A 76 10.780 -0.798 0.458 1.00 0.59 C ATOM 1206 CE2 TYR A 76 9.254 0.480 1.779 1.00 0.57 C ATOM 1207 CZ TYR A 76 10.045 -0.636 1.612 1.00 0.59 C ATOM 1208 OH TYR A 76 10.112 -1.591 2.607 1.00 0.69 O ATOM 0 H TYR A 76 9.665 3.895 -3.414 1.00 0.42 H new ATOM 0 HA TYR A 76 9.950 1.054 -3.231 1.00 0.41 H new ATOM 0 HB2 TYR A 76 10.874 2.772 -1.626 1.00 0.44 H new ATOM 0 HB3 TYR A 76 9.239 3.181 -1.144 1.00 0.44 H new ATOM 0 HD1 TYR A 76 11.305 0.026 -1.435 1.00 0.52 H new ATOM 0 HD2 TYR A 76 8.568 2.306 0.918 1.00 0.51 H new ATOM 0 HE1 TYR A 76 11.400 -1.673 0.330 1.00 0.59 H new ATOM 0 HE2 TYR A 76 8.682 0.608 2.686 1.00 0.57 H new ATOM 0 HH TYR A 76 9.535 -1.326 3.354 1.00 0.69 H new ATOM 1218 N TRP A 77 6.907 2.091 -3.345 1.00 0.40 N ATOM 1219 CA TRP A 77 5.478 1.695 -3.317 1.00 0.42 C ATOM 1220 C TRP A 77 5.222 0.327 -4.001 1.00 0.37 C ATOM 1221 O TRP A 77 4.192 -0.301 -3.736 1.00 0.39 O ATOM 1222 CB TRP A 77 4.601 2.851 -3.907 1.00 0.58 C ATOM 1223 CG TRP A 77 3.627 2.516 -5.022 1.00 0.49 C ATOM 1224 CD1 TRP A 77 2.296 2.223 -4.898 1.00 0.53 C ATOM 1225 CD2 TRP A 77 3.908 2.482 -6.432 1.00 0.78 C ATOM 1226 NE1 TRP A 77 1.738 2.019 -6.136 1.00 0.77 N ATOM 1227 CE2 TRP A 77 2.707 2.167 -7.090 1.00 0.97 C ATOM 1228 CE3 TRP A 77 5.058 2.688 -7.196 1.00 1.04 C ATOM 1229 CZ2 TRP A 77 2.621 2.054 -8.476 1.00 1.40 C ATOM 1230 CZ3 TRP A 77 4.975 2.573 -8.571 1.00 1.45 C ATOM 1231 CH2 TRP A 77 3.764 2.259 -9.198 1.00 1.62 C ATOM 0 H TRP A 77 7.082 2.960 -3.850 1.00 0.40 H new ATOM 0 HA TRP A 77 5.182 1.543 -2.279 1.00 0.42 H new ATOM 0 HB2 TRP A 77 4.031 3.288 -3.087 1.00 0.58 H new ATOM 0 HB3 TRP A 77 5.274 3.625 -4.275 1.00 0.58 H new ATOM 0 HD1 TRP A 77 1.762 2.161 -3.962 1.00 0.53 H new ATOM 0 HE1 TRP A 77 0.759 1.794 -6.315 1.00 0.77 H new ATOM 0 HE3 TRP A 77 5.996 2.933 -6.721 1.00 1.04 H new ATOM 0 HZ2 TRP A 77 1.687 1.814 -8.962 1.00 1.40 H new ATOM 0 HZ3 TRP A 77 5.859 2.728 -9.171 1.00 1.45 H new ATOM 0 HH2 TRP A 77 3.731 2.177 -10.274 1.00 1.62 H new ATOM 1242 N ARG A 78 6.160 -0.140 -4.863 1.00 0.39 N ATOM 1243 CA ARG A 78 6.018 -1.442 -5.548 1.00 0.42 C ATOM 1244 C ARG A 78 6.187 -2.626 -4.564 1.00 0.40 C ATOM 1245 O ARG A 78 5.597 -3.689 -4.780 1.00 0.45 O ATOM 1246 CB ARG A 78 7.016 -1.597 -6.728 1.00 0.49 C ATOM 1247 CG ARG A 78 7.153 -0.375 -7.667 1.00 0.64 C ATOM 1248 CD ARG A 78 6.704 -0.667 -9.107 1.00 0.82 C ATOM 1249 NE ARG A 78 7.439 0.133 -10.106 1.00 1.11 N ATOM 1250 CZ ARG A 78 7.040 0.352 -11.379 1.00 1.57 C ATOM 1251 NH1 ARG A 78 5.881 -0.135 -11.850 1.00 1.96 N ATOM 1252 NH2 ARG A 78 7.811 1.082 -12.188 1.00 1.93 N ATOM 0 H ARG A 78 7.015 0.364 -5.097 1.00 0.39 H new ATOM 0 HA ARG A 78 5.006 -1.462 -5.953 1.00 0.42 H new ATOM 0 HB2 ARG A 78 7.999 -1.827 -6.318 1.00 0.49 H new ATOM 0 HB3 ARG A 78 6.711 -2.456 -7.325 1.00 0.49 H new ATOM 0 HG2 ARG A 78 6.562 0.450 -7.269 1.00 0.64 H new ATOM 0 HG3 ARG A 78 8.192 -0.047 -7.677 1.00 0.64 H new ATOM 0 HD2 ARG A 78 6.846 -1.726 -9.320 1.00 0.82 H new ATOM 0 HD3 ARG A 78 5.637 -0.464 -9.199 1.00 0.82 H new ATOM 0 HE ARG A 78 8.320 0.555 -9.812 1.00 1.11 H new ATOM 0 HH11 ARG A 78 5.275 -0.687 -11.242 1.00 1.96 H new ATOM 0 HH12 ARG A 78 5.606 0.047 -12.815 1.00 1.96 H new ATOM 0 HH21 ARG A 78 8.690 1.468 -11.844 1.00 1.93 H new ATOM 0 HH22 ARG A 78 7.521 1.254 -13.151 1.00 1.93 H new ATOM 1266 N LEU A 79 6.992 -2.444 -3.485 1.00 0.37 N ATOM 1267 CA LEU A 79 7.209 -3.507 -2.479 1.00 0.37 C ATOM 1268 C LEU A 79 6.084 -3.490 -1.432 1.00 0.36 C ATOM 1269 O LEU A 79 5.725 -4.546 -0.912 1.00 0.39 O ATOM 1270 CB LEU A 79 8.588 -3.372 -1.795 1.00 0.40 C ATOM 1271 CG LEU A 79 9.053 -4.581 -0.936 1.00 0.44 C ATOM 1272 CD1 LEU A 79 9.378 -5.802 -1.807 1.00 0.49 C ATOM 1273 CD2 LEU A 79 10.258 -4.195 -0.074 1.00 0.53 C ATOM 0 H LEU A 79 7.496 -1.578 -3.294 1.00 0.37 H new ATOM 0 HA LEU A 79 7.193 -4.465 -2.999 1.00 0.37 H new ATOM 0 HB2 LEU A 79 9.336 -3.193 -2.567 1.00 0.40 H new ATOM 0 HB3 LEU A 79 8.569 -2.487 -1.158 1.00 0.40 H new ATOM 0 HG LEU A 79 8.228 -4.857 -0.279 1.00 0.44 H new ATOM 0 HD11 LEU A 79 9.699 -6.627 -1.171 1.00 0.49 H new ATOM 0 HD12 LEU A 79 8.489 -6.098 -2.364 1.00 0.49 H new ATOM 0 HD13 LEU A 79 10.176 -5.549 -2.505 1.00 0.49 H new ATOM 0 HD21 LEU A 79 10.570 -5.054 0.521 1.00 0.53 H new ATOM 0 HD22 LEU A 79 11.080 -3.881 -0.717 1.00 0.53 H new ATOM 0 HD23 LEU A 79 9.983 -3.375 0.589 1.00 0.53 H new ATOM 1285 N ILE A 80 5.541 -2.287 -1.116 1.00 0.38 N ATOM 1286 CA ILE A 80 4.426 -2.155 -0.157 1.00 0.41 C ATOM 1287 C ILE A 80 3.147 -2.778 -0.764 1.00 0.40 C ATOM 1288 O ILE A 80 2.310 -3.316 -0.028 1.00 0.43 O ATOM 1289 CB ILE A 80 4.177 -0.666 0.279 1.00 0.49 C ATOM 1290 CG1 ILE A 80 5.479 -0.024 0.836 1.00 0.53 C ATOM 1291 CG2 ILE A 80 3.045 -0.561 1.318 1.00 0.59 C ATOM 1292 CD1 ILE A 80 6.103 -0.741 2.032 1.00 0.61 C ATOM 0 H ILE A 80 5.858 -1.402 -1.511 1.00 0.38 H new ATOM 0 HA ILE A 80 4.699 -2.695 0.750 1.00 0.41 H new ATOM 0 HB ILE A 80 3.870 -0.116 -0.611 1.00 0.49 H new ATOM 0 HG12 ILE A 80 6.216 0.017 0.034 1.00 0.53 H new ATOM 0 HG13 ILE A 80 5.263 1.005 1.123 1.00 0.53 H new ATOM 0 HG21 ILE A 80 2.902 0.483 1.596 1.00 0.59 H new ATOM 0 HG22 ILE A 80 2.122 -0.953 0.891 1.00 0.59 H new ATOM 0 HG23 ILE A 80 3.309 -1.139 2.204 1.00 0.59 H new ATOM 0 HD11 ILE A 80 7.005 -0.213 2.343 1.00 0.61 H new ATOM 0 HD12 ILE A 80 5.391 -0.759 2.857 1.00 0.61 H new ATOM 0 HD13 ILE A 80 6.359 -1.763 1.751 1.00 0.61 H new ATOM 1304 N GLY A 81 3.010 -2.701 -2.113 1.00 0.40 N ATOM 1305 CA GLY A 81 1.878 -3.313 -2.811 1.00 0.44 C ATOM 1306 C GLY A 81 1.896 -4.837 -2.673 1.00 0.41 C ATOM 1307 O GLY A 81 0.845 -5.457 -2.517 1.00 0.47 O ATOM 0 H GLY A 81 3.671 -2.222 -2.725 1.00 0.40 H new ATOM 0 HA2 GLY A 81 0.944 -2.920 -2.408 1.00 0.44 H new ATOM 0 HA3 GLY A 81 1.909 -3.041 -3.866 1.00 0.44 H new ATOM 1311 N GLU A 82 3.112 -5.429 -2.733 1.00 0.38 N ATOM 1312 CA GLU A 82 3.312 -6.883 -2.561 1.00 0.38 C ATOM 1313 C GLU A 82 3.304 -7.246 -1.059 1.00 0.36 C ATOM 1314 O GLU A 82 2.974 -8.373 -0.695 1.00 0.42 O ATOM 1315 CB GLU A 82 4.653 -7.337 -3.192 1.00 0.43 C ATOM 1316 CG GLU A 82 4.776 -7.118 -4.704 1.00 0.51 C ATOM 1317 CD GLU A 82 3.909 -8.061 -5.528 1.00 0.62 C ATOM 1318 OE1 GLU A 82 4.331 -9.216 -5.747 1.00 0.83 O ATOM 1319 OE2 GLU A 82 2.815 -7.641 -5.959 1.00 0.86 O ATOM 0 H GLU A 82 3.976 -4.914 -2.901 1.00 0.38 H new ATOM 0 HA GLU A 82 2.495 -7.397 -3.067 1.00 0.38 H new ATOM 0 HB2 GLU A 82 5.466 -6.805 -2.698 1.00 0.43 H new ATOM 0 HB3 GLU A 82 4.793 -8.398 -2.983 1.00 0.43 H new ATOM 0 HG2 GLU A 82 4.503 -6.089 -4.937 1.00 0.51 H new ATOM 0 HG3 GLU A 82 5.818 -7.245 -4.998 1.00 0.51 H new ATOM 1326 N LEU A 83 3.672 -6.269 -0.196 1.00 0.36 N ATOM 1327 CA LEU A 83 3.710 -6.443 1.272 1.00 0.39 C ATOM 1328 C LEU A 83 2.322 -6.824 1.831 1.00 0.40 C ATOM 1329 O LEU A 83 2.210 -7.744 2.641 1.00 0.49 O ATOM 1330 CB LEU A 83 4.216 -5.133 1.933 1.00 0.44 C ATOM 1331 CG LEU A 83 4.901 -5.259 3.310 1.00 0.49 C ATOM 1332 CD1 LEU A 83 6.274 -5.922 3.175 1.00 0.67 C ATOM 1333 CD2 LEU A 83 5.040 -3.887 3.980 1.00 0.61 C ATOM 0 H LEU A 83 3.951 -5.337 -0.501 1.00 0.36 H new ATOM 0 HA LEU A 83 4.393 -7.259 1.506 1.00 0.39 H new ATOM 0 HB2 LEU A 83 4.918 -4.658 1.248 1.00 0.44 H new ATOM 0 HB3 LEU A 83 3.367 -4.457 2.038 1.00 0.44 H new ATOM 0 HG LEU A 83 4.271 -5.888 3.939 1.00 0.49 H new ATOM 0 HD11 LEU A 83 6.738 -6.000 4.158 1.00 0.67 H new ATOM 0 HD12 LEU A 83 6.157 -6.918 2.749 1.00 0.67 H new ATOM 0 HD13 LEU A 83 6.906 -5.320 2.522 1.00 0.67 H new ATOM 0 HD21 LEU A 83 5.526 -4.003 4.949 1.00 0.61 H new ATOM 0 HD22 LEU A 83 5.641 -3.233 3.349 1.00 0.61 H new ATOM 0 HD23 LEU A 83 4.052 -3.448 4.120 1.00 0.61 H new ATOM 1345 N ALA A 84 1.270 -6.115 1.370 1.00 0.39 N ATOM 1346 CA ALA A 84 -0.116 -6.370 1.808 1.00 0.45 C ATOM 1347 C ALA A 84 -0.822 -7.415 0.919 1.00 0.45 C ATOM 1348 O ALA A 84 -1.720 -8.116 1.393 1.00 0.55 O ATOM 1349 CB ALA A 84 -0.906 -5.066 1.827 1.00 0.54 C ATOM 0 H ALA A 84 1.357 -5.358 0.691 1.00 0.39 H new ATOM 0 HA ALA A 84 -0.073 -6.781 2.817 1.00 0.45 H new ATOM 0 HB1 ALA A 84 -1.928 -5.264 2.151 1.00 0.54 H new ATOM 0 HB2 ALA A 84 -0.436 -4.366 2.517 1.00 0.54 H new ATOM 0 HB3 ALA A 84 -0.920 -4.635 0.826 1.00 0.54 H new ATOM 1355 N LYS A 85 -0.419 -7.511 -0.368 1.00 0.42 N ATOM 1356 CA LYS A 85 -1.013 -8.483 -1.311 1.00 0.46 C ATOM 1357 C LYS A 85 -0.508 -9.921 -1.038 1.00 0.47 C ATOM 1358 O LYS A 85 -1.252 -10.882 -1.261 1.00 0.55 O ATOM 1359 CB LYS A 85 -0.704 -8.076 -2.773 1.00 0.49 C ATOM 1360 CG LYS A 85 -1.483 -8.855 -3.844 1.00 0.59 C ATOM 1361 CD LYS A 85 -0.823 -8.775 -5.230 1.00 0.64 C ATOM 1362 CE LYS A 85 -1.141 -7.474 -5.982 1.00 0.69 C ATOM 1363 NZ LYS A 85 -0.298 -6.321 -5.534 1.00 0.96 N ATOM 0 H LYS A 85 0.313 -6.929 -0.776 1.00 0.42 H new ATOM 0 HA LYS A 85 -2.092 -8.473 -1.160 1.00 0.46 H new ATOM 0 HB2 LYS A 85 -0.918 -7.014 -2.891 1.00 0.49 H new ATOM 0 HB3 LYS A 85 0.363 -8.209 -2.953 1.00 0.49 H new ATOM 0 HG2 LYS A 85 -1.562 -9.900 -3.543 1.00 0.59 H new ATOM 0 HG3 LYS A 85 -2.498 -8.464 -3.906 1.00 0.59 H new ATOM 0 HD2 LYS A 85 0.257 -8.865 -5.116 1.00 0.64 H new ATOM 0 HD3 LYS A 85 -1.152 -9.623 -5.831 1.00 0.64 H new ATOM 0 HE2 LYS A 85 -0.993 -7.632 -7.050 1.00 0.69 H new ATOM 0 HE3 LYS A 85 -2.193 -7.226 -5.839 1.00 0.69 H new ATOM 0 HZ1 LYS A 85 -0.202 -5.638 -6.312 1.00 0.96 H new ATOM 0 HZ2 LYS A 85 -0.749 -5.857 -4.720 1.00 0.96 H new ATOM 0 HZ3 LYS A 85 0.644 -6.666 -5.258 1.00 0.96 H new ATOM 1377 N GLU A 86 0.750 -10.066 -0.547 1.00 0.42 N ATOM 1378 CA GLU A 86 1.345 -11.394 -0.268 1.00 0.46 C ATOM 1379 C GLU A 86 1.231 -11.810 1.222 1.00 0.52 C ATOM 1380 O GLU A 86 2.112 -12.502 1.744 1.00 0.92 O ATOM 1381 CB GLU A 86 2.824 -11.439 -0.735 1.00 0.49 C ATOM 1382 CG GLU A 86 3.046 -11.118 -2.221 1.00 0.55 C ATOM 1383 CD GLU A 86 2.390 -12.115 -3.164 1.00 1.03 C ATOM 1384 OE1 GLU A 86 3.041 -13.122 -3.511 1.00 1.52 O ATOM 1385 OE2 GLU A 86 1.228 -11.881 -3.562 1.00 1.65 O ATOM 0 H GLU A 86 1.367 -9.282 -0.338 1.00 0.42 H new ATOM 0 HA GLU A 86 0.766 -12.120 -0.839 1.00 0.46 H new ATOM 0 HB2 GLU A 86 3.400 -10.733 -0.136 1.00 0.49 H new ATOM 0 HB3 GLU A 86 3.224 -12.432 -0.530 1.00 0.49 H new ATOM 0 HG2 GLU A 86 2.657 -10.122 -2.431 1.00 0.55 H new ATOM 0 HG3 GLU A 86 4.117 -11.091 -2.422 1.00 0.55 H new ATOM 1392 N ILE A 87 0.146 -11.381 1.904 1.00 0.44 N ATOM 1393 CA ILE A 87 -0.121 -11.764 3.308 1.00 0.47 C ATOM 1394 C ILE A 87 -1.217 -12.858 3.317 1.00 0.51 C ATOM 1395 O ILE A 87 -1.131 -13.834 4.069 1.00 0.61 O ATOM 1396 CB ILE A 87 -0.528 -10.515 4.195 1.00 0.51 C ATOM 1397 CG1 ILE A 87 -0.188 -10.718 5.705 1.00 0.59 C ATOM 1398 CG2 ILE A 87 -2.004 -10.109 4.025 1.00 0.55 C ATOM 1399 CD1 ILE A 87 -0.766 -11.962 6.362 1.00 0.66 C ATOM 0 H ILE A 87 -0.562 -10.766 1.502 1.00 0.44 H new ATOM 0 HA ILE A 87 0.791 -12.160 3.754 1.00 0.47 H new ATOM 0 HB ILE A 87 0.081 -9.692 3.821 1.00 0.51 H new ATOM 0 HG12 ILE A 87 0.896 -10.747 5.811 1.00 0.59 H new ATOM 0 HG13 ILE A 87 -0.539 -9.845 6.256 1.00 0.59 H new ATOM 0 HG21 ILE A 87 -2.220 -9.248 4.658 1.00 0.55 H new ATOM 0 HG22 ILE A 87 -2.192 -9.849 2.983 1.00 0.55 H new ATOM 0 HG23 ILE A 87 -2.646 -10.942 4.313 1.00 0.55 H new ATOM 0 HD11 ILE A 87 -0.463 -11.995 7.408 1.00 0.66 H new ATOM 0 HD12 ILE A 87 -1.854 -11.934 6.300 1.00 0.66 H new ATOM 0 HD13 ILE A 87 -0.396 -12.850 5.849 1.00 0.66 H new ATOM 1411 N ARG A 88 -2.233 -12.683 2.439 1.00 0.54 N ATOM 1412 CA ARG A 88 -3.360 -13.617 2.307 1.00 0.68 C ATOM 1413 C ARG A 88 -3.130 -14.637 1.171 1.00 0.68 C ATOM 1414 O ARG A 88 -3.587 -15.780 1.280 1.00 0.87 O ATOM 1415 CB ARG A 88 -4.683 -12.840 2.076 1.00 0.83 C ATOM 1416 CG ARG A 88 -4.702 -11.916 0.838 1.00 0.91 C ATOM 1417 CD ARG A 88 -4.894 -10.435 1.195 1.00 1.05 C ATOM 1418 NE ARG A 88 -6.311 -10.019 1.170 1.00 1.18 N ATOM 1419 CZ ARG A 88 -6.741 -8.738 1.117 1.00 1.39 C ATOM 1420 NH1 ARG A 88 -5.881 -7.710 1.169 1.00 1.74 N ATOM 1421 NH2 ARG A 88 -8.047 -8.483 1.023 1.00 1.73 N ATOM 0 H ARG A 88 -2.288 -11.886 1.804 1.00 0.54 H new ATOM 0 HA ARG A 88 -3.434 -14.175 3.240 1.00 0.68 H new ATOM 0 HB2 ARG A 88 -5.496 -13.560 1.983 1.00 0.83 H new ATOM 0 HB3 ARG A 88 -4.890 -12.238 2.961 1.00 0.83 H new ATOM 0 HG2 ARG A 88 -3.767 -12.033 0.290 1.00 0.91 H new ATOM 0 HG3 ARG A 88 -5.504 -12.230 0.170 1.00 0.91 H new ATOM 0 HD2 ARG A 88 -4.483 -10.249 2.187 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -4.327 -9.821 0.495 1.00 1.05 H new ATOM 0 HE ARG A 88 -7.019 -10.753 1.195 1.00 1.18 H new ATOM 0 HH11 ARG A 88 -4.880 -7.886 1.250 1.00 1.74 H new ATOM 0 HH12 ARG A 88 -6.228 -6.752 1.127 1.00 1.74 H new ATOM 0 HH21 ARG A 88 -8.716 -9.252 0.991 1.00 1.73 H new ATOM 0 HH22 ARG A 88 -8.377 -7.519 0.983 1.00 1.73 H new ATOM 1435 N LYS A 89 -2.428 -14.226 0.081 1.00 0.58 N ATOM 1436 CA LYS A 89 -2.162 -15.122 -1.059 1.00 0.64 C ATOM 1437 C LYS A 89 -0.670 -15.134 -1.467 1.00 0.58 C ATOM 1438 O LYS A 89 -0.315 -14.773 -2.598 1.00 0.69 O ATOM 1439 CB LYS A 89 -3.079 -14.790 -2.271 1.00 0.76 C ATOM 1440 CG LYS A 89 -3.029 -13.343 -2.782 1.00 0.77 C ATOM 1441 CD LYS A 89 -3.638 -13.225 -4.187 1.00 1.00 C ATOM 1442 CE LYS A 89 -3.382 -11.861 -4.825 1.00 1.22 C ATOM 1443 NZ LYS A 89 -3.992 -11.755 -6.185 1.00 1.52 N ATOM 0 H LYS A 89 -2.043 -13.288 -0.025 1.00 0.58 H new ATOM 0 HA LYS A 89 -2.403 -16.131 -0.725 1.00 0.64 H new ATOM 0 HB2 LYS A 89 -2.813 -15.453 -3.094 1.00 0.76 H new ATOM 0 HB3 LYS A 89 -4.108 -15.021 -1.996 1.00 0.76 H new ATOM 0 HG2 LYS A 89 -3.569 -12.693 -2.094 1.00 0.77 H new ATOM 0 HG3 LYS A 89 -1.995 -12.998 -2.801 1.00 0.77 H new ATOM 0 HD2 LYS A 89 -3.223 -14.005 -4.826 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -4.712 -13.399 -4.129 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -3.788 -11.079 -4.184 1.00 1.22 H new ATOM 0 HE3 LYS A 89 -2.308 -11.690 -4.895 1.00 1.22 H new ATOM 0 HZ1 LYS A 89 -3.795 -10.814 -6.582 1.00 1.52 H new ATOM 0 HZ2 LYS A 89 -3.586 -12.484 -6.805 1.00 1.52 H new ATOM 0 HZ3 LYS A 89 -5.021 -11.893 -6.116 1.00 1.52 H new ATOM 1457 N LYS A 90 0.211 -15.558 -0.533 1.00 0.56 N ATOM 1458 CA LYS A 90 1.664 -15.668 -0.816 1.00 0.55 C ATOM 1459 C LYS A 90 1.934 -16.936 -1.654 1.00 0.55 C ATOM 1460 O LYS A 90 2.801 -16.936 -2.531 1.00 0.60 O ATOM 1461 CB LYS A 90 2.536 -15.662 0.475 1.00 0.61 C ATOM 1462 CG LYS A 90 2.078 -16.602 1.606 1.00 0.71 C ATOM 1463 CD LYS A 90 1.280 -15.880 2.705 1.00 0.97 C ATOM 1464 CE LYS A 90 2.162 -15.039 3.635 1.00 1.39 C ATOM 1465 NZ LYS A 90 2.914 -15.869 4.622 1.00 1.87 N ATOM 0 H LYS A 90 -0.053 -15.828 0.415 1.00 0.56 H new ATOM 0 HA LYS A 90 1.955 -14.783 -1.383 1.00 0.55 H new ATOM 0 HB2 LYS A 90 3.557 -15.927 0.201 1.00 0.61 H new ATOM 0 HB3 LYS A 90 2.565 -14.645 0.865 1.00 0.61 H new ATOM 0 HG2 LYS A 90 1.464 -17.397 1.183 1.00 0.71 H new ATOM 0 HG3 LYS A 90 2.952 -17.077 2.052 1.00 0.71 H new ATOM 0 HD2 LYS A 90 0.534 -15.235 2.240 1.00 0.97 H new ATOM 0 HD3 LYS A 90 0.739 -16.618 3.297 1.00 0.97 H new ATOM 0 HE2 LYS A 90 2.869 -14.464 3.037 1.00 1.39 H new ATOM 0 HE3 LYS A 90 1.539 -14.322 4.169 1.00 1.39 H new ATOM 0 HZ1 LYS A 90 3.796 -15.383 4.884 1.00 1.87 H new ATOM 0 HZ2 LYS A 90 2.331 -16.011 5.472 1.00 1.87 H new ATOM 0 HZ3 LYS A 90 3.140 -16.792 4.199 1.00 1.87 H new ATOM 1479 N LYS A 91 1.170 -18.011 -1.364 1.00 0.57 N ATOM 1480 CA LYS A 91 1.259 -19.291 -2.087 1.00 0.64 C ATOM 1481 C LYS A 91 -0.173 -19.840 -2.300 1.00 0.69 C ATOM 1482 O LYS A 91 -0.456 -20.996 -1.980 1.00 0.71 O ATOM 1483 CB LYS A 91 2.131 -20.304 -1.303 1.00 0.72 C ATOM 1484 CG LYS A 91 3.608 -19.918 -1.162 1.00 0.85 C ATOM 1485 CD LYS A 91 4.337 -20.820 -0.162 1.00 0.97 C ATOM 1486 CE LYS A 91 5.820 -20.466 -0.025 1.00 1.29 C ATOM 1487 NZ LYS A 91 6.628 -20.921 -1.198 1.00 1.53 N ATOM 0 H LYS A 91 0.473 -18.012 -0.619 1.00 0.57 H new ATOM 0 HA LYS A 91 1.735 -19.134 -3.055 1.00 0.64 H new ATOM 0 HB2 LYS A 91 1.708 -20.429 -0.306 1.00 0.72 H new ATOM 0 HB3 LYS A 91 2.070 -21.273 -1.799 1.00 0.72 H new ATOM 0 HG2 LYS A 91 4.096 -19.984 -2.135 1.00 0.85 H new ATOM 0 HG3 LYS A 91 3.683 -18.880 -0.838 1.00 0.85 H new ATOM 0 HD2 LYS A 91 3.856 -20.739 0.813 1.00 0.97 H new ATOM 0 HD3 LYS A 91 4.243 -21.859 -0.479 1.00 0.97 H new ATOM 0 HE2 LYS A 91 5.924 -19.387 0.087 1.00 1.29 H new ATOM 0 HE3 LYS A 91 6.216 -20.920 0.883 1.00 1.29 H new ATOM 0 HZ1 LYS A 91 7.624 -20.658 -1.057 1.00 1.53 H new ATOM 0 HZ2 LYS A 91 6.553 -21.954 -1.291 1.00 1.53 H new ATOM 0 HZ3 LYS A 91 6.270 -20.468 -2.063 1.00 1.53 H new ATOM 1501 N ASP A 92 -1.071 -18.985 -2.850 1.00 0.78 N ATOM 1502 CA ASP A 92 -2.499 -19.340 -3.103 1.00 0.87 C ATOM 1503 C ASP A 92 -2.694 -20.665 -3.873 1.00 1.03 C ATOM 1504 O ASP A 92 -3.672 -21.378 -3.627 1.00 1.81 O ATOM 1505 CB ASP A 92 -3.238 -18.198 -3.841 1.00 0.89 C ATOM 1506 CG ASP A 92 -2.531 -17.718 -5.106 1.00 0.98 C ATOM 1507 OD1 ASP A 92 -1.573 -16.925 -4.986 1.00 1.01 O ATOM 1508 OD2 ASP A 92 -2.941 -18.133 -6.212 1.00 1.18 O ATOM 0 H ASP A 92 -0.832 -18.034 -3.131 1.00 0.78 H new ATOM 0 HA ASP A 92 -2.932 -19.485 -2.113 1.00 0.87 H new ATOM 0 HB2 ASP A 92 -4.240 -18.537 -4.103 1.00 0.89 H new ATOM 0 HB3 ASP A 92 -3.355 -17.355 -3.160 1.00 0.89 H new ATOM 1513 N LEU A 93 -1.770 -20.982 -4.798 1.00 0.67 N ATOM 1514 CA LEU A 93 -1.844 -22.228 -5.589 1.00 0.70 C ATOM 1515 C LEU A 93 -1.701 -23.481 -4.690 1.00 0.70 C ATOM 1516 O LEU A 93 -2.341 -24.506 -4.952 1.00 0.79 O ATOM 1517 CB LEU A 93 -0.760 -22.221 -6.693 1.00 0.77 C ATOM 1518 CG LEU A 93 -0.941 -23.247 -7.842 1.00 0.97 C ATOM 1519 CD1 LEU A 93 -2.025 -22.795 -8.828 1.00 1.24 C ATOM 1520 CD2 LEU A 93 0.388 -23.487 -8.567 1.00 1.15 C ATOM 0 H LEU A 93 -0.965 -20.396 -5.017 1.00 0.67 H new ATOM 0 HA LEU A 93 -2.827 -22.273 -6.058 1.00 0.70 H new ATOM 0 HB2 LEU A 93 -0.722 -21.223 -7.129 1.00 0.77 H new ATOM 0 HB3 LEU A 93 0.207 -22.400 -6.224 1.00 0.77 H new ATOM 0 HG LEU A 93 -1.267 -24.189 -7.400 1.00 0.97 H new ATOM 0 HD11 LEU A 93 -2.127 -23.536 -9.621 1.00 1.24 H new ATOM 0 HD12 LEU A 93 -2.975 -22.692 -8.303 1.00 1.24 H new ATOM 0 HD13 LEU A 93 -1.745 -21.835 -9.262 1.00 1.24 H new ATOM 0 HD21 LEU A 93 0.239 -24.210 -9.369 1.00 1.15 H new ATOM 0 HD22 LEU A 93 0.748 -22.548 -8.987 1.00 1.15 H new ATOM 0 HD23 LEU A 93 1.123 -23.874 -7.861 1.00 1.15 H new ATOM 1532 N LYS A 94 -0.866 -23.381 -3.629 1.00 0.70 N ATOM 1533 CA LYS A 94 -0.631 -24.490 -2.682 1.00 0.77 C ATOM 1534 C LYS A 94 -1.498 -24.342 -1.407 1.00 0.71 C ATOM 1535 O LYS A 94 -2.246 -25.262 -1.059 1.00 0.77 O ATOM 1536 CB LYS A 94 0.871 -24.550 -2.310 1.00 0.92 C ATOM 1537 CG LYS A 94 1.318 -25.867 -1.661 1.00 1.09 C ATOM 1538 CD LYS A 94 1.616 -26.950 -2.702 1.00 1.23 C ATOM 1539 CE LYS A 94 1.892 -28.314 -2.066 1.00 1.57 C ATOM 1540 NZ LYS A 94 0.643 -28.999 -1.609 1.00 1.73 N ATOM 0 H LYS A 94 -0.341 -22.535 -3.409 1.00 0.70 H new ATOM 0 HA LYS A 94 -0.921 -25.421 -3.169 1.00 0.77 H new ATOM 0 HB2 LYS A 94 1.462 -24.386 -3.211 1.00 0.92 H new ATOM 0 HB3 LYS A 94 1.096 -23.730 -1.628 1.00 0.92 H new ATOM 0 HG2 LYS A 94 2.208 -25.690 -1.058 1.00 1.09 H new ATOM 0 HG3 LYS A 94 0.540 -26.220 -0.984 1.00 1.09 H new ATOM 0 HD2 LYS A 94 0.771 -27.035 -3.385 1.00 1.23 H new ATOM 0 HD3 LYS A 94 2.478 -26.649 -3.298 1.00 1.23 H new ATOM 0 HE2 LYS A 94 2.407 -28.949 -2.786 1.00 1.57 H new ATOM 0 HE3 LYS A 94 2.563 -28.186 -1.217 1.00 1.57 H new ATOM 0 HZ1 LYS A 94 0.886 -29.918 -1.186 1.00 1.73 H new ATOM 0 HZ2 LYS A 94 0.162 -28.408 -0.901 1.00 1.73 H new ATOM 0 HZ3 LYS A 94 0.011 -29.148 -2.422 1.00 1.73 H new ATOM 1554 N ILE A 95 -1.389 -23.179 -0.724 1.00 0.68 N ATOM 1555 CA ILE A 95 -2.136 -22.897 0.526 1.00 0.67 C ATOM 1556 C ILE A 95 -3.062 -21.672 0.379 1.00 0.67 C ATOM 1557 O ILE A 95 -2.626 -20.617 -0.087 1.00 0.77 O ATOM 1558 CB ILE A 95 -1.170 -22.678 1.747 1.00 0.75 C ATOM 1559 CG1 ILE A 95 -0.016 -21.691 1.399 1.00 0.87 C ATOM 1560 CG2 ILE A 95 -0.616 -24.025 2.228 1.00 0.85 C ATOM 1561 CD1 ILE A 95 0.828 -21.251 2.584 1.00 1.06 C ATOM 0 H ILE A 95 -0.785 -22.413 -1.021 1.00 0.68 H new ATOM 0 HA ILE A 95 -2.749 -23.778 0.717 1.00 0.67 H new ATOM 0 HB ILE A 95 -1.744 -22.226 2.556 1.00 0.75 H new ATOM 0 HG12 ILE A 95 0.635 -22.161 0.662 1.00 0.87 H new ATOM 0 HG13 ILE A 95 -0.444 -20.806 0.928 1.00 0.87 H new ATOM 0 HG21 ILE A 95 0.052 -23.863 3.074 1.00 0.85 H new ATOM 0 HG22 ILE A 95 -1.440 -24.669 2.535 1.00 0.85 H new ATOM 0 HG23 ILE A 95 -0.065 -24.502 1.417 1.00 0.85 H new ATOM 0 HD11 ILE A 95 1.604 -20.566 2.243 1.00 1.06 H new ATOM 0 HD12 ILE A 95 0.195 -20.747 3.315 1.00 1.06 H new ATOM 0 HD13 ILE A 95 1.291 -22.124 3.045 1.00 1.06 H new ATOM 1573 N ARG A 96 -4.343 -21.822 0.793 1.00 0.71 N ATOM 1574 CA ARG A 96 -5.342 -20.728 0.718 1.00 0.77 C ATOM 1575 C ARG A 96 -6.215 -20.635 2.002 1.00 0.77 C ATOM 1576 O ARG A 96 -7.385 -20.236 1.936 1.00 0.93 O ATOM 1577 CB ARG A 96 -6.227 -20.890 -0.545 1.00 0.93 C ATOM 1578 CG ARG A 96 -6.912 -22.255 -0.683 1.00 1.05 C ATOM 1579 CD ARG A 96 -7.775 -22.349 -1.944 1.00 1.26 C ATOM 1580 NE ARG A 96 -9.045 -21.603 -1.823 1.00 1.40 N ATOM 1581 CZ ARG A 96 -10.238 -22.125 -1.451 1.00 1.83 C ATOM 1582 NH1 ARG A 96 -10.377 -23.419 -1.118 1.00 2.26 N ATOM 1583 NH2 ARG A 96 -11.313 -21.333 -1.410 1.00 2.18 N ATOM 0 H ARG A 96 -4.709 -22.691 1.183 1.00 0.71 H new ATOM 0 HA ARG A 96 -4.792 -19.790 0.644 1.00 0.77 H new ATOM 0 HB2 ARG A 96 -6.993 -20.115 -0.536 1.00 0.93 H new ATOM 0 HB3 ARG A 96 -5.610 -20.718 -1.427 1.00 0.93 H new ATOM 0 HG2 ARG A 96 -6.154 -23.038 -0.705 1.00 1.05 H new ATOM 0 HG3 ARG A 96 -7.533 -22.437 0.194 1.00 1.05 H new ATOM 0 HD2 ARG A 96 -7.212 -21.964 -2.794 1.00 1.26 H new ATOM 0 HD3 ARG A 96 -7.992 -23.396 -2.153 1.00 1.26 H new ATOM 0 HE ARG A 96 -9.021 -20.606 -2.039 1.00 1.40 H new ATOM 0 HH11 ARG A 96 -9.569 -24.041 -1.141 1.00 2.26 H new ATOM 0 HH12 ARG A 96 -11.291 -23.779 -0.842 1.00 2.26 H new ATOM 0 HH21 ARG A 96 -11.230 -20.347 -1.657 1.00 2.18 H new ATOM 0 HH22 ARG A 96 -12.217 -21.714 -1.131 1.00 2.18 H new ATOM 1597 N LYS A 97 -5.641 -20.997 3.173 1.00 0.72 N ATOM 1598 CA LYS A 97 -6.367 -20.937 4.464 1.00 0.75 C ATOM 1599 C LYS A 97 -5.382 -20.908 5.653 1.00 0.74 C ATOM 1600 O LYS A 97 -4.943 -21.959 6.132 1.00 0.95 O ATOM 1601 CB LYS A 97 -7.370 -22.114 4.612 1.00 0.87 C ATOM 1602 CG LYS A 97 -6.836 -23.487 4.173 1.00 0.94 C ATOM 1603 CD LYS A 97 -7.579 -24.647 4.846 1.00 1.10 C ATOM 1604 CE LYS A 97 -7.177 -26.012 4.277 1.00 1.36 C ATOM 1605 NZ LYS A 97 -5.732 -26.333 4.499 1.00 1.74 N ATOM 0 H LYS A 97 -4.681 -21.333 3.251 1.00 0.72 H new ATOM 0 HA LYS A 97 -6.940 -20.010 4.471 1.00 0.75 H new ATOM 0 HB2 LYS A 97 -7.679 -22.179 5.655 1.00 0.87 H new ATOM 0 HB3 LYS A 97 -8.262 -21.886 4.029 1.00 0.87 H new ATOM 0 HG2 LYS A 97 -6.927 -23.580 3.091 1.00 0.94 H new ATOM 0 HG3 LYS A 97 -5.774 -23.553 4.410 1.00 0.94 H new ATOM 0 HD2 LYS A 97 -7.378 -24.630 5.917 1.00 1.10 H new ATOM 0 HD3 LYS A 97 -8.653 -24.507 4.721 1.00 1.10 H new ATOM 0 HE2 LYS A 97 -7.791 -26.787 4.737 1.00 1.36 H new ATOM 0 HE3 LYS A 97 -7.388 -26.031 3.208 1.00 1.36 H new ATOM 0 HZ1 LYS A 97 -5.518 -27.267 4.094 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 -5.141 -25.612 4.038 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 -5.532 -26.344 5.519 1.00 1.74 H new ATOM 1619 N LYS A 98 -5.045 -19.690 6.126 1.00 0.69 N ATOM 1620 CA LYS A 98 -4.107 -19.510 7.250 1.00 0.72 C ATOM 1621 C LYS A 98 -4.495 -18.291 8.087 1.00 0.76 C ATOM 1622 O LYS A 98 -5.256 -18.401 9.046 1.00 0.98 O ATOM 1623 CB LYS A 98 -2.664 -19.352 6.724 1.00 0.88 C ATOM 1624 CG LYS A 98 -1.575 -19.520 7.792 1.00 1.04 C ATOM 1625 CD LYS A 98 -0.198 -19.090 7.278 1.00 1.35 C ATOM 1626 CE LYS A 98 0.887 -19.208 8.349 1.00 1.61 C ATOM 1627 NZ LYS A 98 1.242 -20.630 8.656 1.00 1.71 N ATOM 0 H LYS A 98 -5.410 -18.817 5.745 1.00 0.69 H new ATOM 0 HA LYS A 98 -4.158 -20.396 7.883 1.00 0.72 H new ATOM 0 HB2 LYS A 98 -2.497 -20.084 5.934 1.00 0.88 H new ATOM 0 HB3 LYS A 98 -2.562 -18.366 6.271 1.00 0.88 H new ATOM 0 HG2 LYS A 98 -1.835 -18.930 8.671 1.00 1.04 H new ATOM 0 HG3 LYS A 98 -1.535 -20.562 8.108 1.00 1.04 H new ATOM 0 HD2 LYS A 98 0.074 -19.704 6.420 1.00 1.35 H new ATOM 0 HD3 LYS A 98 -0.249 -18.059 6.929 1.00 1.35 H new ATOM 0 HE2 LYS A 98 1.780 -18.678 8.016 1.00 1.61 H new ATOM 0 HE3 LYS A 98 0.547 -18.717 9.261 1.00 1.61 H new ATOM 0 HZ1 LYS A 98 1.981 -20.653 9.387 1.00 1.71 H new ATOM 0 HZ2 LYS A 98 0.399 -21.132 9.000 1.00 1.71 H new ATOM 0 HZ3 LYS A 98 1.593 -21.094 7.794 1.00 1.71 H new TER 1641 LYS A 98 ATOM 1642 N MET B 1 -6.413 -17.189 1.902 1.00 0.85 N ATOM 1643 CA MET B 1 -7.073 -15.921 1.584 1.00 0.86 C ATOM 1644 C MET B 1 -7.448 -15.143 2.870 1.00 0.76 C ATOM 1645 O MET B 1 -8.435 -14.396 2.885 1.00 0.93 O ATOM 1646 CB MET B 1 -8.309 -16.151 0.679 1.00 1.04 C ATOM 1647 CG MET B 1 -9.357 -17.121 1.236 1.00 1.09 C ATOM 1648 SD MET B 1 -10.878 -17.149 0.255 1.00 1.44 S ATOM 1649 CE MET B 1 -11.845 -18.377 1.129 1.00 1.75 C ATOM 0 H1 MET B 1 -6.607 -17.880 1.149 1.00 0.85 H new ATOM 0 H2 MET B 1 -5.387 -17.037 1.977 1.00 0.85 H new ATOM 0 H3 MET B 1 -6.776 -17.552 2.807 1.00 0.85 H new ATOM 0 HA MET B 1 -6.365 -15.306 1.028 1.00 0.86 H new ATOM 0 HB2 MET B 1 -8.789 -15.190 0.496 1.00 1.04 H new ATOM 0 HB3 MET B 1 -7.968 -16.526 -0.286 1.00 1.04 H new ATOM 0 HG2 MET B 1 -8.934 -18.125 1.271 1.00 1.09 H new ATOM 0 HG3 MET B 1 -9.597 -16.840 2.262 1.00 1.09 H new ATOM 0 HE1 MET B 1 -12.809 -18.499 0.636 1.00 1.75 H new ATOM 0 HE2 MET B 1 -11.313 -19.328 1.126 1.00 1.75 H new ATOM 0 HE3 MET B 1 -12.002 -18.052 2.158 1.00 1.75 H new ATOM 1659 N ALA B 2 -6.635 -15.302 3.942 1.00 0.73 N ATOM 1660 CA ALA B 2 -6.867 -14.621 5.228 1.00 0.67 C ATOM 1661 C ALA B 2 -5.564 -14.015 5.776 1.00 0.60 C ATOM 1662 O ALA B 2 -4.492 -14.616 5.641 1.00 0.68 O ATOM 1663 CB ALA B 2 -7.472 -15.594 6.241 1.00 0.78 C ATOM 0 H ALA B 2 -5.809 -15.901 3.935 1.00 0.73 H new ATOM 0 HA ALA B 2 -7.571 -13.806 5.059 1.00 0.67 H new ATOM 0 HB1 ALA B 2 -7.638 -15.078 7.187 1.00 0.78 H new ATOM 0 HB2 ALA B 2 -8.422 -15.971 5.861 1.00 0.78 H new ATOM 0 HB3 ALA B 2 -6.788 -16.428 6.398 1.00 0.78 H new ATOM 1669 N ALA B 3 -5.663 -12.828 6.409 1.00 0.57 N ATOM 1670 CA ALA B 3 -4.493 -12.135 6.974 1.00 0.57 C ATOM 1671 C ALA B 3 -4.285 -12.501 8.454 1.00 0.58 C ATOM 1672 O ALA B 3 -5.107 -12.144 9.303 1.00 0.69 O ATOM 1673 CB ALA B 3 -4.637 -10.624 6.799 1.00 0.64 C ATOM 0 H ALA B 3 -6.544 -12.331 6.540 1.00 0.57 H new ATOM 0 HA ALA B 3 -3.608 -12.464 6.430 1.00 0.57 H new ATOM 0 HB1 ALA B 3 -3.765 -10.124 7.221 1.00 0.64 H new ATOM 0 HB2 ALA B 3 -4.713 -10.386 5.738 1.00 0.64 H new ATOM 0 HB3 ALA B 3 -5.535 -10.282 7.313 1.00 0.64 H new ATOM 1679 N GLU B 4 -3.177 -13.222 8.752 1.00 0.56 N ATOM 1680 CA GLU B 4 -2.848 -13.651 10.127 1.00 0.59 C ATOM 1681 C GLU B 4 -1.861 -12.650 10.784 1.00 0.56 C ATOM 1682 O GLU B 4 -0.873 -12.271 10.147 1.00 0.54 O ATOM 1683 CB GLU B 4 -2.245 -15.077 10.110 1.00 0.66 C ATOM 1684 CG GLU B 4 -2.122 -15.740 11.486 1.00 0.79 C ATOM 1685 CD GLU B 4 -1.707 -17.203 11.399 1.00 0.91 C ATOM 1686 OE1 GLU B 4 -2.589 -18.055 11.165 1.00 1.10 O ATOM 1687 OE2 GLU B 4 -0.501 -17.491 11.561 1.00 1.00 O ATOM 0 H GLU B 4 -2.496 -13.518 8.053 1.00 0.56 H new ATOM 0 HA GLU B 4 -3.764 -13.668 10.718 1.00 0.59 H new ATOM 0 HB2 GLU B 4 -2.862 -15.709 9.472 1.00 0.66 H new ATOM 0 HB3 GLU B 4 -1.256 -15.032 9.654 1.00 0.66 H new ATOM 0 HG2 GLU B 4 -1.392 -15.194 12.084 1.00 0.79 H new ATOM 0 HG3 GLU B 4 -3.077 -15.668 12.006 1.00 0.79 H new ATOM 1694 N PRO B 5 -2.112 -12.190 12.058 1.00 0.62 N ATOM 1695 CA PRO B 5 -1.217 -11.232 12.759 1.00 0.65 C ATOM 1696 C PRO B 5 0.202 -11.792 13.013 1.00 0.59 C ATOM 1697 O PRO B 5 0.347 -12.903 13.533 1.00 0.68 O ATOM 1698 CB PRO B 5 -1.940 -10.956 14.093 1.00 0.83 C ATOM 1699 CG PRO B 5 -3.345 -11.405 13.883 1.00 0.80 C ATOM 1700 CD PRO B 5 -3.278 -12.540 12.902 1.00 0.73 C ATOM 0 HA PRO B 5 -1.052 -10.339 12.157 1.00 0.65 H new ATOM 0 HB2 PRO B 5 -1.472 -11.501 14.913 1.00 0.83 H new ATOM 0 HB3 PRO B 5 -1.900 -9.897 14.350 1.00 0.83 H new ATOM 0 HG2 PRO B 5 -3.795 -11.728 14.822 1.00 0.80 H new ATOM 0 HG3 PRO B 5 -3.960 -10.592 13.497 1.00 0.80 H new ATOM 0 HD2 PRO B 5 -3.139 -13.498 13.403 1.00 0.73 H new ATOM 0 HD3 PRO B 5 -4.192 -12.618 12.313 1.00 0.73 H new ATOM 1708 N LEU B 6 1.239 -11.002 12.644 1.00 0.61 N ATOM 1709 CA LEU B 6 2.662 -11.391 12.810 1.00 0.70 C ATOM 1710 C LEU B 6 3.478 -10.223 13.461 1.00 0.73 C ATOM 1711 O LEU B 6 2.921 -9.491 14.285 1.00 1.24 O ATOM 1712 CB LEU B 6 3.229 -11.838 11.435 1.00 0.87 C ATOM 1713 CG LEU B 6 2.512 -13.035 10.755 1.00 0.95 C ATOM 1714 CD1 LEU B 6 3.009 -13.216 9.318 1.00 1.18 C ATOM 1715 CD2 LEU B 6 2.702 -14.329 11.560 1.00 1.08 C ATOM 0 H LEU B 6 1.114 -10.081 12.224 1.00 0.61 H new ATOM 0 HA LEU B 6 2.747 -12.236 13.493 1.00 0.70 H new ATOM 0 HB2 LEU B 6 3.193 -10.986 10.756 1.00 0.87 H new ATOM 0 HB3 LEU B 6 4.280 -12.097 11.565 1.00 0.87 H new ATOM 0 HG LEU B 6 1.445 -12.813 10.727 1.00 0.95 H new ATOM 0 HD11 LEU B 6 2.494 -14.060 8.859 1.00 1.18 H new ATOM 0 HD12 LEU B 6 2.805 -12.311 8.746 1.00 1.18 H new ATOM 0 HD13 LEU B 6 4.082 -13.406 9.325 1.00 1.18 H new ATOM 0 HD21 LEU B 6 2.188 -15.149 11.058 1.00 1.08 H new ATOM 0 HD22 LEU B 6 3.765 -14.558 11.634 1.00 1.08 H new ATOM 0 HD23 LEU B 6 2.288 -14.200 12.560 1.00 1.08 H new ATOM 1727 N THR B 7 4.792 -10.052 13.118 1.00 0.52 N ATOM 1728 CA THR B 7 5.648 -8.973 13.695 1.00 0.50 C ATOM 1729 C THR B 7 5.054 -7.560 13.441 1.00 0.48 C ATOM 1730 O THR B 7 4.204 -7.402 12.570 1.00 0.53 O ATOM 1731 CB THR B 7 7.108 -9.053 13.132 1.00 0.53 C ATOM 1732 OG1 THR B 7 7.539 -10.421 13.078 1.00 0.92 O ATOM 1733 CG2 THR B 7 8.109 -8.261 13.978 1.00 1.06 C ATOM 0 H THR B 7 5.277 -10.647 12.447 1.00 0.52 H new ATOM 0 HA THR B 7 5.676 -9.134 14.773 1.00 0.50 H new ATOM 0 HB THR B 7 7.083 -8.614 12.135 1.00 0.53 H new ATOM 0 HG1 THR B 7 7.350 -10.789 12.190 1.00 0.92 H new ATOM 0 HG21 THR B 7 9.104 -8.351 13.543 1.00 1.06 H new ATOM 0 HG22 THR B 7 7.816 -7.211 14.000 1.00 1.06 H new ATOM 0 HG23 THR B 7 8.120 -8.656 14.994 1.00 1.06 H new ATOM 1741 N GLU B 8 5.513 -6.542 14.218 1.00 0.49 N ATOM 1742 CA GLU B 8 5.029 -5.135 14.114 1.00 0.49 C ATOM 1743 C GLU B 8 4.880 -4.627 12.658 1.00 0.44 C ATOM 1744 O GLU B 8 3.837 -4.061 12.316 1.00 0.47 O ATOM 1745 CB GLU B 8 5.953 -4.185 14.911 1.00 0.54 C ATOM 1746 CG GLU B 8 5.300 -2.855 15.302 1.00 0.95 C ATOM 1747 CD GLU B 8 6.192 -1.997 16.183 1.00 1.01 C ATOM 1748 OE1 GLU B 8 7.122 -1.357 15.646 1.00 1.51 O ATOM 1749 OE2 GLU B 8 5.958 -1.958 17.412 1.00 1.29 O ATOM 0 H GLU B 8 6.228 -6.672 14.934 1.00 0.49 H new ATOM 0 HA GLU B 8 4.027 -5.134 14.544 1.00 0.49 H new ATOM 0 HB2 GLU B 8 6.285 -4.694 15.816 1.00 0.54 H new ATOM 0 HB3 GLU B 8 6.843 -3.979 14.317 1.00 0.54 H new ATOM 0 HG2 GLU B 8 5.048 -2.300 14.398 1.00 0.95 H new ATOM 0 HG3 GLU B 8 4.365 -3.055 15.825 1.00 0.95 H new ATOM 1756 N LEU B 9 5.914 -4.830 11.807 1.00 0.42 N ATOM 1757 CA LEU B 9 5.867 -4.387 10.390 1.00 0.39 C ATOM 1758 C LEU B 9 4.836 -5.195 9.587 1.00 0.38 C ATOM 1759 O LEU B 9 4.089 -4.627 8.786 1.00 0.39 O ATOM 1760 CB LEU B 9 7.252 -4.502 9.719 1.00 0.41 C ATOM 1761 CG LEU B 9 8.366 -3.600 10.291 1.00 0.50 C ATOM 1762 CD1 LEU B 9 9.718 -3.967 9.681 1.00 0.63 C ATOM 1763 CD2 LEU B 9 8.052 -2.115 10.058 1.00 0.65 C ATOM 0 H LEU B 9 6.783 -5.293 12.072 1.00 0.42 H new ATOM 0 HA LEU B 9 5.566 -3.339 10.394 1.00 0.39 H new ATOM 0 HB2 LEU B 9 7.581 -5.539 9.789 1.00 0.41 H new ATOM 0 HB3 LEU B 9 7.139 -4.275 8.659 1.00 0.41 H new ATOM 0 HG LEU B 9 8.414 -3.766 11.367 1.00 0.50 H new ATOM 0 HD11 LEU B 9 10.492 -3.321 10.096 1.00 0.63 H new ATOM 0 HD12 LEU B 9 9.951 -5.006 9.912 1.00 0.63 H new ATOM 0 HD13 LEU B 9 9.677 -3.836 8.600 1.00 0.63 H new ATOM 0 HD21 LEU B 9 8.854 -1.504 10.472 1.00 0.65 H new ATOM 0 HD22 LEU B 9 7.966 -1.925 8.988 1.00 0.65 H new ATOM 0 HD23 LEU B 9 7.113 -1.860 10.549 1.00 0.65 H new ATOM 1775 N GLU B 10 4.805 -6.524 9.807 1.00 0.39 N ATOM 1776 CA GLU B 10 3.851 -7.419 9.121 1.00 0.41 C ATOM 1777 C GLU B 10 2.408 -7.180 9.618 1.00 0.42 C ATOM 1778 O GLU B 10 1.449 -7.399 8.874 1.00 0.47 O ATOM 1779 CB GLU B 10 4.239 -8.894 9.330 1.00 0.46 C ATOM 1780 CG GLU B 10 5.643 -9.258 8.841 1.00 0.50 C ATOM 1781 CD GLU B 10 6.000 -10.708 9.123 1.00 0.56 C ATOM 1782 OE1 GLU B 10 5.625 -11.581 8.316 1.00 0.95 O ATOM 1783 OE2 GLU B 10 6.646 -10.968 10.159 1.00 0.95 O ATOM 0 H GLU B 10 5.430 -7.002 10.455 1.00 0.39 H new ATOM 0 HA GLU B 10 3.893 -7.191 8.056 1.00 0.41 H new ATOM 0 HB2 GLU B 10 4.166 -9.128 10.392 1.00 0.46 H new ATOM 0 HB3 GLU B 10 3.514 -9.524 8.814 1.00 0.46 H new ATOM 0 HG2 GLU B 10 5.710 -9.073 7.769 1.00 0.50 H new ATOM 0 HG3 GLU B 10 6.372 -8.607 9.323 1.00 0.50 H new ATOM 1790 N GLU B 11 2.269 -6.726 10.887 1.00 0.42 N ATOM 1791 CA GLU B 11 0.963 -6.429 11.499 1.00 0.45 C ATOM 1792 C GLU B 11 0.383 -5.107 10.940 1.00 0.43 C ATOM 1793 O GLU B 11 -0.838 -4.939 10.913 1.00 0.45 O ATOM 1794 CB GLU B 11 1.103 -6.354 13.037 1.00 0.51 C ATOM 1795 CG GLU B 11 -0.220 -6.433 13.803 1.00 0.62 C ATOM 1796 CD GLU B 11 -0.056 -6.146 15.289 1.00 0.70 C ATOM 1797 OE1 GLU B 11 0.232 -7.092 16.053 1.00 0.82 O ATOM 1798 OE2 GLU B 11 -0.217 -4.971 15.686 1.00 0.85 O ATOM 0 H GLU B 11 3.060 -6.558 11.509 1.00 0.42 H new ATOM 0 HA GLU B 11 0.271 -7.233 11.249 1.00 0.45 H new ATOM 0 HB2 GLU B 11 1.749 -7.166 13.370 1.00 0.51 H new ATOM 0 HB3 GLU B 11 1.603 -5.421 13.298 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -0.926 -5.721 13.375 1.00 0.62 H new ATOM 0 HG3 GLU B 11 -0.651 -7.426 13.674 1.00 0.62 H new ATOM 1805 N SER B 12 1.268 -4.176 10.499 1.00 0.43 N ATOM 1806 CA SER B 12 0.852 -2.875 9.926 1.00 0.44 C ATOM 1807 C SER B 12 -0.035 -3.062 8.676 1.00 0.42 C ATOM 1808 O SER B 12 -1.096 -2.441 8.570 1.00 0.47 O ATOM 1809 CB SER B 12 2.089 -2.032 9.571 1.00 0.48 C ATOM 1810 OG SER B 12 2.850 -1.729 10.730 1.00 0.56 O ATOM 0 H SER B 12 2.279 -4.306 10.531 1.00 0.43 H new ATOM 0 HA SER B 12 0.263 -2.354 10.680 1.00 0.44 H new ATOM 0 HB2 SER B 12 2.709 -2.573 8.856 1.00 0.48 H new ATOM 0 HB3 SER B 12 1.776 -1.108 9.086 1.00 0.48 H new ATOM 0 HG SER B 12 3.119 -2.561 11.172 1.00 0.56 H new ATOM 1816 N ILE B 13 0.414 -3.917 7.734 1.00 0.40 N ATOM 1817 CA ILE B 13 -0.353 -4.214 6.499 1.00 0.41 C ATOM 1818 C ILE B 13 -1.493 -5.219 6.768 1.00 0.41 C ATOM 1819 O ILE B 13 -2.503 -5.213 6.060 1.00 0.48 O ATOM 1820 CB ILE B 13 0.551 -4.733 5.321 1.00 0.46 C ATOM 1821 CG1 ILE B 13 1.407 -5.982 5.704 1.00 0.45 C ATOM 1822 CG2 ILE B 13 1.460 -3.607 4.812 1.00 0.53 C ATOM 1823 CD1 ILE B 13 0.680 -7.316 5.613 1.00 0.45 C ATOM 0 H ILE B 13 1.302 -4.415 7.802 1.00 0.40 H new ATOM 0 HA ILE B 13 -0.783 -3.263 6.185 1.00 0.41 H new ATOM 0 HB ILE B 13 -0.127 -5.049 4.528 1.00 0.46 H new ATOM 0 HG12 ILE B 13 2.281 -6.017 5.054 1.00 0.45 H new ATOM 0 HG13 ILE B 13 1.773 -5.854 6.723 1.00 0.45 H new ATOM 0 HG21 ILE B 13 2.080 -3.980 3.997 1.00 0.53 H new ATOM 0 HG22 ILE B 13 0.848 -2.780 4.453 1.00 0.53 H new ATOM 0 HG23 ILE B 13 2.099 -3.260 5.624 1.00 0.53 H new ATOM 0 HD11 ILE B 13 1.358 -8.120 5.898 1.00 0.45 H new ATOM 0 HD12 ILE B 13 -0.178 -7.309 6.285 1.00 0.45 H new ATOM 0 HD13 ILE B 13 0.338 -7.475 4.590 1.00 0.45 H new ATOM 1835 N GLU B 14 -1.314 -6.082 7.793 1.00 0.40 N ATOM 1836 CA GLU B 14 -2.317 -7.092 8.189 1.00 0.43 C ATOM 1837 C GLU B 14 -3.564 -6.418 8.799 1.00 0.45 C ATOM 1838 O GLU B 14 -4.693 -6.827 8.509 1.00 0.48 O ATOM 1839 CB GLU B 14 -1.669 -8.087 9.184 1.00 0.46 C ATOM 1840 CG GLU B 14 -2.570 -9.212 9.703 1.00 0.57 C ATOM 1841 CD GLU B 14 -3.353 -8.836 10.954 1.00 0.64 C ATOM 1842 OE1 GLU B 14 -2.721 -8.416 11.951 1.00 0.92 O ATOM 1843 OE2 GLU B 14 -4.596 -8.957 10.938 1.00 1.00 O ATOM 0 H GLU B 14 -0.471 -6.097 8.367 1.00 0.40 H new ATOM 0 HA GLU B 14 -2.648 -7.640 7.307 1.00 0.43 H new ATOM 0 HB2 GLU B 14 -0.802 -8.538 8.701 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.299 -7.523 10.040 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -3.270 -9.497 8.918 1.00 0.57 H new ATOM 0 HG3 GLU B 14 -1.957 -10.088 9.917 1.00 0.57 H new ATOM 1850 N THR B 15 -3.344 -5.383 9.640 1.00 0.45 N ATOM 1851 CA THR B 15 -4.440 -4.629 10.286 1.00 0.49 C ATOM 1852 C THR B 15 -5.352 -3.935 9.253 1.00 0.47 C ATOM 1853 O THR B 15 -6.550 -3.791 9.494 1.00 0.50 O ATOM 1854 CB THR B 15 -3.900 -3.575 11.291 1.00 0.54 C ATOM 1855 OG1 THR B 15 -2.818 -2.834 10.703 1.00 0.75 O ATOM 1856 CG2 THR B 15 -3.428 -4.241 12.584 1.00 0.88 C ATOM 0 H THR B 15 -2.412 -5.050 9.888 1.00 0.45 H new ATOM 0 HA THR B 15 -5.031 -5.364 10.832 1.00 0.49 H new ATOM 0 HB THR B 15 -4.715 -2.892 11.531 1.00 0.54 H new ATOM 0 HG1 THR B 15 -3.072 -1.891 10.626 1.00 0.75 H new ATOM 0 HG21 THR B 15 -3.055 -3.480 13.270 1.00 0.88 H new ATOM 0 HG22 THR B 15 -4.262 -4.769 13.047 1.00 0.88 H new ATOM 0 HG23 THR B 15 -2.630 -4.949 12.359 1.00 0.88 H new ATOM 1864 N VAL B 16 -4.781 -3.512 8.103 1.00 0.45 N ATOM 1865 CA VAL B 16 -5.562 -2.862 7.027 1.00 0.47 C ATOM 1866 C VAL B 16 -6.511 -3.882 6.349 1.00 0.47 C ATOM 1867 O VAL B 16 -7.584 -3.502 5.872 1.00 0.52 O ATOM 1868 CB VAL B 16 -4.633 -2.182 5.958 1.00 0.49 C ATOM 1869 CG1 VAL B 16 -5.438 -1.501 4.837 1.00 0.56 C ATOM 1870 CG2 VAL B 16 -3.692 -1.168 6.619 1.00 0.53 C ATOM 0 H VAL B 16 -3.787 -3.609 7.897 1.00 0.45 H new ATOM 0 HA VAL B 16 -6.160 -2.077 7.489 1.00 0.47 H new ATOM 0 HB VAL B 16 -4.040 -2.976 5.504 1.00 0.49 H new ATOM 0 HG11 VAL B 16 -4.753 -1.045 4.122 1.00 0.56 H new ATOM 0 HG12 VAL B 16 -6.053 -2.243 4.328 1.00 0.56 H new ATOM 0 HG13 VAL B 16 -6.080 -0.731 5.266 1.00 0.56 H new ATOM 0 HG21 VAL B 16 -3.059 -0.710 5.859 1.00 0.53 H new ATOM 0 HG22 VAL B 16 -4.280 -0.396 7.115 1.00 0.53 H new ATOM 0 HG23 VAL B 16 -3.068 -1.676 7.354 1.00 0.53 H new ATOM 1880 N VAL B 17 -6.114 -5.177 6.325 1.00 0.46 N ATOM 1881 CA VAL B 17 -6.937 -6.243 5.719 1.00 0.50 C ATOM 1882 C VAL B 17 -8.155 -6.574 6.612 1.00 0.57 C ATOM 1883 O VAL B 17 -9.289 -6.412 6.174 1.00 0.97 O ATOM 1884 CB VAL B 17 -6.118 -7.558 5.435 1.00 0.53 C ATOM 1885 CG1 VAL B 17 -6.977 -8.609 4.706 1.00 0.63 C ATOM 1886 CG2 VAL B 17 -4.841 -7.266 4.637 1.00 0.55 C ATOM 0 H VAL B 17 -5.231 -5.504 6.718 1.00 0.46 H new ATOM 0 HA VAL B 17 -7.281 -5.855 4.760 1.00 0.50 H new ATOM 0 HB VAL B 17 -5.826 -7.966 6.403 1.00 0.53 H new ATOM 0 HG11 VAL B 17 -6.381 -9.504 4.525 1.00 0.63 H new ATOM 0 HG12 VAL B 17 -7.839 -8.865 5.322 1.00 0.63 H new ATOM 0 HG13 VAL B 17 -7.319 -8.203 3.754 1.00 0.63 H new ATOM 0 HG21 VAL B 17 -4.302 -8.197 4.460 1.00 0.55 H new ATOM 0 HG22 VAL B 17 -5.105 -6.812 3.682 1.00 0.55 H new ATOM 0 HG23 VAL B 17 -4.208 -6.582 5.201 1.00 0.55 H new ATOM 1896 N THR B 18 -7.906 -7.001 7.873 1.00 0.50 N ATOM 1897 CA THR B 18 -8.989 -7.391 8.816 1.00 0.52 C ATOM 1898 C THR B 18 -10.018 -6.269 9.081 1.00 0.54 C ATOM 1899 O THR B 18 -11.216 -6.549 9.163 1.00 0.67 O ATOM 1900 CB THR B 18 -8.431 -7.887 10.181 1.00 0.56 C ATOM 1901 OG1 THR B 18 -7.596 -6.881 10.774 1.00 0.58 O ATOM 1902 CG2 THR B 18 -7.634 -9.178 10.023 1.00 0.62 C ATOM 0 H THR B 18 -6.967 -7.085 8.263 1.00 0.50 H new ATOM 0 HA THR B 18 -9.502 -8.208 8.309 1.00 0.52 H new ATOM 0 HB THR B 18 -9.284 -8.085 10.830 1.00 0.56 H new ATOM 0 HG1 THR B 18 -7.253 -7.205 11.633 1.00 0.58 H new ATOM 0 HG21 THR B 18 -7.259 -9.496 10.996 1.00 0.62 H new ATOM 0 HG22 THR B 18 -8.278 -9.955 9.611 1.00 0.62 H new ATOM 0 HG23 THR B 18 -6.795 -9.007 9.349 1.00 0.62 H new ATOM 1910 N THR B 19 -9.552 -5.008 9.209 1.00 0.53 N ATOM 1911 CA THR B 19 -10.455 -3.867 9.478 1.00 0.57 C ATOM 1912 C THR B 19 -11.405 -3.565 8.289 1.00 0.57 C ATOM 1913 O THR B 19 -12.500 -3.037 8.511 1.00 0.66 O ATOM 1914 CB THR B 19 -9.664 -2.578 9.876 1.00 0.60 C ATOM 1915 OG1 THR B 19 -8.648 -2.907 10.833 1.00 0.61 O ATOM 1916 CG2 THR B 19 -10.579 -1.507 10.488 1.00 0.69 C ATOM 0 H THR B 19 -8.567 -4.755 9.132 1.00 0.53 H new ATOM 0 HA THR B 19 -11.070 -4.170 10.325 1.00 0.57 H new ATOM 0 HB THR B 19 -9.222 -2.177 8.964 1.00 0.60 H new ATOM 0 HG1 THR B 19 -7.854 -3.241 10.365 1.00 0.61 H new ATOM 0 HG21 THR B 19 -9.988 -0.629 10.750 1.00 0.69 H new ATOM 0 HG22 THR B 19 -11.345 -1.226 9.765 1.00 0.69 H new ATOM 0 HG23 THR B 19 -11.055 -1.904 11.385 1.00 0.69 H new ATOM 1924 N PHE B 20 -11.001 -3.901 7.034 1.00 0.56 N ATOM 1925 CA PHE B 20 -11.855 -3.644 5.851 1.00 0.60 C ATOM 1926 C PHE B 20 -12.033 -4.892 4.943 1.00 0.60 C ATOM 1927 O PHE B 20 -12.181 -4.754 3.722 1.00 0.94 O ATOM 1928 CB PHE B 20 -11.303 -2.443 5.043 1.00 0.68 C ATOM 1929 CG PHE B 20 -12.369 -1.668 4.285 1.00 0.75 C ATOM 1930 CD1 PHE B 20 -13.301 -0.892 4.964 1.00 0.91 C ATOM 1931 CD2 PHE B 20 -12.441 -1.718 2.897 1.00 0.80 C ATOM 1932 CE1 PHE B 20 -14.273 -0.190 4.283 1.00 1.02 C ATOM 1933 CE2 PHE B 20 -13.416 -1.012 2.213 1.00 0.90 C ATOM 1934 CZ PHE B 20 -14.330 -0.248 2.908 1.00 0.97 C ATOM 0 H PHE B 20 -10.106 -4.342 6.821 1.00 0.56 H new ATOM 0 HA PHE B 20 -12.849 -3.399 6.225 1.00 0.60 H new ATOM 0 HB2 PHE B 20 -10.790 -1.764 5.724 1.00 0.68 H new ATOM 0 HB3 PHE B 20 -10.559 -2.806 4.334 1.00 0.68 H new ATOM 0 HD1 PHE B 20 -13.263 -0.838 6.042 1.00 0.91 H new ATOM 0 HD2 PHE B 20 -11.728 -2.314 2.347 1.00 0.80 H new ATOM 0 HE1 PHE B 20 -14.990 0.406 4.828 1.00 1.02 H new ATOM 0 HE2 PHE B 20 -13.461 -1.060 1.135 1.00 0.90 H new ATOM 0 HZ PHE B 20 -15.090 0.304 2.375 1.00 0.97 H new ATOM 1944 N PHE B 21 -12.043 -6.107 5.536 1.00 0.71 N ATOM 1945 CA PHE B 21 -12.262 -7.353 4.765 1.00 0.72 C ATOM 1946 C PHE B 21 -13.767 -7.687 4.743 1.00 0.68 C ATOM 1947 O PHE B 21 -14.266 -8.216 3.747 1.00 0.71 O ATOM 1948 CB PHE B 21 -11.458 -8.539 5.347 1.00 1.01 C ATOM 1949 CG PHE B 21 -11.382 -9.757 4.433 1.00 1.63 C ATOM 1950 CD1 PHE B 21 -12.374 -10.729 4.455 1.00 2.26 C ATOM 1951 CD2 PHE B 21 -10.315 -9.927 3.557 1.00 1.93 C ATOM 1952 CE1 PHE B 21 -12.300 -11.839 3.631 1.00 2.92 C ATOM 1953 CE2 PHE B 21 -10.243 -11.034 2.731 1.00 2.67 C ATOM 1954 CZ PHE B 21 -11.234 -11.990 2.770 1.00 3.08 C ATOM 0 H PHE B 21 -11.904 -6.252 6.536 1.00 0.71 H new ATOM 0 HA PHE B 21 -11.906 -7.189 3.748 1.00 0.72 H new ATOM 0 HB2 PHE B 21 -10.445 -8.202 5.568 1.00 1.01 H new ATOM 0 HB3 PHE B 21 -11.908 -8.838 6.294 1.00 1.01 H new ATOM 0 HD1 PHE B 21 -13.214 -10.617 5.124 1.00 2.26 H new ATOM 0 HD2 PHE B 21 -9.532 -9.184 3.521 1.00 1.93 H new ATOM 0 HE1 PHE B 21 -13.078 -12.587 3.663 1.00 2.92 H new ATOM 0 HE2 PHE B 21 -9.409 -11.149 2.055 1.00 2.67 H new ATOM 0 HZ PHE B 21 -11.176 -12.856 2.127 1.00 3.08 H new ATOM 1964 N THR B 22 -14.475 -7.368 5.858 1.00 0.76 N ATOM 1965 CA THR B 22 -15.931 -7.600 5.990 1.00 0.91 C ATOM 1966 C THR B 22 -16.725 -6.828 4.915 1.00 0.84 C ATOM 1967 O THR B 22 -17.708 -7.349 4.378 1.00 1.01 O ATOM 1968 CB THR B 22 -16.442 -7.196 7.413 1.00 1.10 C ATOM 1969 OG1 THR B 22 -15.542 -7.685 8.424 1.00 1.23 O ATOM 1970 CG2 THR B 22 -17.851 -7.730 7.694 1.00 1.37 C ATOM 0 H THR B 22 -14.052 -6.945 6.684 1.00 0.76 H new ATOM 0 HA THR B 22 -16.097 -8.668 5.846 1.00 0.91 H new ATOM 0 HB THR B 22 -16.480 -6.107 7.440 1.00 1.10 H new ATOM 0 HG1 THR B 22 -15.872 -7.424 9.309 1.00 1.23 H new ATOM 0 HG21 THR B 22 -18.163 -7.425 8.693 1.00 1.37 H new ATOM 0 HG22 THR B 22 -18.546 -7.327 6.957 1.00 1.37 H new ATOM 0 HG23 THR B 22 -17.847 -8.818 7.632 1.00 1.37 H new ATOM 1978 N PHE B 23 -16.291 -5.588 4.613 1.00 0.69 N ATOM 1979 CA PHE B 23 -16.933 -4.747 3.586 1.00 0.75 C ATOM 1980 C PHE B 23 -16.495 -5.188 2.175 1.00 0.70 C ATOM 1981 O PHE B 23 -17.311 -5.189 1.250 1.00 0.83 O ATOM 1982 CB PHE B 23 -16.595 -3.255 3.808 1.00 0.84 C ATOM 1983 CG PHE B 23 -17.323 -2.612 4.975 1.00 1.00 C ATOM 1984 CD1 PHE B 23 -16.776 -2.622 6.254 1.00 1.03 C ATOM 1985 CD2 PHE B 23 -18.555 -1.992 4.790 1.00 1.32 C ATOM 1986 CE1 PHE B 23 -17.441 -2.033 7.314 1.00 1.27 C ATOM 1987 CE2 PHE B 23 -19.219 -1.402 5.847 1.00 1.54 C ATOM 1988 CZ PHE B 23 -18.663 -1.423 7.109 1.00 1.48 C ATOM 0 H PHE B 23 -15.493 -5.146 5.070 1.00 0.69 H new ATOM 0 HA PHE B 23 -18.012 -4.872 3.672 1.00 0.75 H new ATOM 0 HB2 PHE B 23 -15.521 -3.159 3.968 1.00 0.84 H new ATOM 0 HB3 PHE B 23 -16.832 -2.702 2.899 1.00 0.84 H new ATOM 0 HD1 PHE B 23 -15.820 -3.096 6.421 1.00 1.03 H new ATOM 0 HD2 PHE B 23 -18.998 -1.972 3.805 1.00 1.32 H new ATOM 0 HE1 PHE B 23 -17.005 -2.050 8.302 1.00 1.27 H new ATOM 0 HE2 PHE B 23 -20.174 -0.924 5.686 1.00 1.54 H new ATOM 0 HZ PHE B 23 -19.183 -0.963 7.936 1.00 1.48 H new ATOM 1998 N ALA B 24 -15.202 -5.573 2.025 1.00 0.61 N ATOM 1999 CA ALA B 24 -14.644 -6.028 0.728 1.00 0.67 C ATOM 2000 C ALA B 24 -15.290 -7.340 0.226 1.00 0.65 C ATOM 2001 O ALA B 24 -15.270 -7.607 -0.980 1.00 0.85 O ATOM 2002 CB ALA B 24 -13.127 -6.194 0.822 1.00 0.77 C ATOM 0 H ALA B 24 -14.526 -5.577 2.789 1.00 0.61 H new ATOM 0 HA ALA B 24 -14.880 -5.253 -0.001 1.00 0.67 H new ATOM 0 HB1 ALA B 24 -12.737 -6.528 -0.140 1.00 0.77 H new ATOM 0 HB2 ALA B 24 -12.672 -5.239 1.086 1.00 0.77 H new ATOM 0 HB3 ALA B 24 -12.889 -6.933 1.587 1.00 0.77 H new ATOM 2008 N ARG B 25 -15.863 -8.154 1.148 1.00 0.62 N ATOM 2009 CA ARG B 25 -16.523 -9.428 0.779 1.00 0.68 C ATOM 2010 C ARG B 25 -18.041 -9.247 0.506 1.00 0.70 C ATOM 2011 O ARG B 25 -18.787 -10.236 0.497 1.00 0.87 O ATOM 2012 CB ARG B 25 -16.286 -10.500 1.877 1.00 0.77 C ATOM 2013 CG ARG B 25 -16.925 -10.197 3.241 1.00 0.80 C ATOM 2014 CD ARG B 25 -16.919 -11.415 4.170 1.00 1.01 C ATOM 2015 NE ARG B 25 -17.902 -11.290 5.261 1.00 1.10 N ATOM 2016 CZ ARG B 25 -17.783 -11.828 6.497 1.00 1.38 C ATOM 2017 NH1 ARG B 25 -16.711 -12.550 6.861 1.00 1.73 N ATOM 2018 NH2 ARG B 25 -18.765 -11.639 7.381 1.00 1.48 N ATOM 0 H ARG B 25 -15.880 -7.950 2.147 1.00 0.62 H new ATOM 0 HA ARG B 25 -16.070 -9.769 -0.152 1.00 0.68 H new ATOM 0 HB2 ARG B 25 -16.671 -11.455 1.518 1.00 0.77 H new ATOM 0 HB3 ARG B 25 -15.212 -10.622 2.017 1.00 0.77 H new ATOM 0 HG2 ARG B 25 -16.387 -9.377 3.717 1.00 0.80 H new ATOM 0 HG3 ARG B 25 -17.951 -9.861 3.092 1.00 0.80 H new ATOM 0 HD2 ARG B 25 -17.135 -12.313 3.590 1.00 1.01 H new ATOM 0 HD3 ARG B 25 -15.923 -11.541 4.594 1.00 1.01 H new ATOM 0 HE ARG B 25 -18.746 -10.751 5.067 1.00 1.10 H new ATOM 0 HH11 ARG B 25 -15.953 -12.708 6.197 1.00 1.73 H new ATOM 0 HH12 ARG B 25 -16.655 -12.941 7.802 1.00 1.73 H new ATOM 0 HH21 ARG B 25 -19.588 -11.096 7.120 1.00 1.48 H new ATOM 0 HH22 ARG B 25 -18.692 -12.037 8.317 1.00 1.48 H new ATOM 2032 N GLN B 26 -18.494 -7.993 0.267 1.00 0.71 N ATOM 2033 CA GLN B 26 -19.914 -7.696 0.003 1.00 0.79 C ATOM 2034 C GLN B 26 -20.220 -7.727 -1.511 1.00 0.73 C ATOM 2035 O GLN B 26 -21.245 -8.281 -1.924 1.00 0.84 O ATOM 2036 CB GLN B 26 -20.288 -6.320 0.608 1.00 0.90 C ATOM 2037 CG GLN B 26 -21.758 -6.180 1.000 1.00 1.09 C ATOM 2038 CD GLN B 26 -22.119 -4.774 1.477 1.00 1.31 C ATOM 2039 OE1 GLN B 26 -22.565 -3.941 0.688 1.00 1.46 O ATOM 2040 NE2 GLN B 26 -21.919 -4.492 2.768 1.00 1.68 N ATOM 0 H GLN B 26 -17.890 -7.171 0.253 1.00 0.71 H new ATOM 0 HA GLN B 26 -20.520 -8.468 0.478 1.00 0.79 H new ATOM 0 HB2 GLN B 26 -19.671 -6.145 1.490 1.00 0.90 H new ATOM 0 HB3 GLN B 26 -20.041 -5.541 -0.113 1.00 0.90 H new ATOM 0 HG2 GLN B 26 -22.382 -6.439 0.145 1.00 1.09 H new ATOM 0 HG3 GLN B 26 -21.987 -6.895 1.790 1.00 1.09 H new ATOM 0 HE21 GLN B 26 -21.548 -5.206 3.394 1.00 1.68 H new ATOM 0 HE22 GLN B 26 -22.138 -3.563 3.127 1.00 1.68 H new ATOM 2049 N GLU B 27 -19.319 -7.132 -2.326 1.00 0.66 N ATOM 2050 CA GLU B 27 -19.471 -7.078 -3.795 1.00 0.71 C ATOM 2051 C GLU B 27 -18.531 -8.101 -4.481 1.00 0.88 C ATOM 2052 O GLU B 27 -17.921 -8.928 -3.792 1.00 1.45 O ATOM 2053 CB GLU B 27 -19.209 -5.627 -4.278 1.00 0.83 C ATOM 2054 CG GLU B 27 -20.286 -4.616 -3.860 1.00 0.93 C ATOM 2055 CD GLU B 27 -21.619 -4.822 -4.569 1.00 1.04 C ATOM 2056 OE1 GLU B 27 -21.805 -4.248 -5.663 1.00 1.23 O ATOM 2057 OE2 GLU B 27 -22.476 -5.556 -4.027 1.00 1.16 O ATOM 0 H GLU B 27 -18.471 -6.679 -1.985 1.00 0.66 H new ATOM 0 HA GLU B 27 -20.488 -7.354 -4.073 1.00 0.71 H new ATOM 0 HB2 GLU B 27 -18.246 -5.296 -3.889 1.00 0.83 H new ATOM 0 HB3 GLU B 27 -19.130 -5.627 -5.365 1.00 0.83 H new ATOM 0 HG2 GLU B 27 -20.441 -4.686 -2.783 1.00 0.93 H new ATOM 0 HG3 GLU B 27 -19.926 -3.608 -4.065 1.00 0.93 H new ATOM 2064 N GLY B 28 -18.425 -8.049 -5.839 1.00 0.73 N ATOM 2065 CA GLY B 28 -17.583 -8.983 -6.609 1.00 0.86 C ATOM 2066 C GLY B 28 -16.192 -9.241 -6.026 1.00 0.69 C ATOM 2067 O GLY B 28 -15.516 -8.303 -5.593 1.00 0.66 O ATOM 0 H GLY B 28 -18.917 -7.366 -6.415 1.00 0.73 H new ATOM 0 HA2 GLY B 28 -18.107 -9.935 -6.691 1.00 0.86 H new ATOM 0 HA3 GLY B 28 -17.469 -8.594 -7.621 1.00 0.86 H new ATOM 2071 N ARG B 29 -15.772 -10.532 -6.028 1.00 0.68 N ATOM 2072 CA ARG B 29 -14.463 -10.986 -5.504 1.00 0.65 C ATOM 2073 C ARG B 29 -14.343 -10.761 -3.982 1.00 0.62 C ATOM 2074 O ARG B 29 -14.907 -9.807 -3.436 1.00 0.69 O ATOM 2075 CB ARG B 29 -13.273 -10.325 -6.261 1.00 0.66 C ATOM 2076 CG ARG B 29 -12.547 -11.249 -7.250 1.00 0.84 C ATOM 2077 CD ARG B 29 -13.428 -11.681 -8.427 1.00 1.28 C ATOM 2078 NE ARG B 29 -12.706 -12.536 -9.393 1.00 1.44 N ATOM 2079 CZ ARG B 29 -13.210 -12.985 -10.562 1.00 1.93 C ATOM 2080 NH1 ARG B 29 -14.490 -12.773 -10.901 1.00 2.62 N ATOM 2081 NH2 ARG B 29 -12.428 -13.676 -11.394 1.00 2.09 N ATOM 0 H ARG B 29 -16.341 -11.293 -6.398 1.00 0.68 H new ATOM 0 HA ARG B 29 -14.412 -12.060 -5.683 1.00 0.65 H new ATOM 0 HB2 ARG B 29 -13.644 -9.455 -6.803 1.00 0.66 H new ATOM 0 HB3 ARG B 29 -12.552 -9.961 -5.529 1.00 0.66 H new ATOM 0 HG2 ARG B 29 -11.664 -10.738 -7.633 1.00 0.84 H new ATOM 0 HG3 ARG B 29 -12.198 -12.136 -6.721 1.00 0.84 H new ATOM 0 HD2 ARG B 29 -14.296 -12.220 -8.048 1.00 1.28 H new ATOM 0 HD3 ARG B 29 -13.802 -10.795 -8.940 1.00 1.28 H new ATOM 0 HE ARG B 29 -11.752 -12.808 -9.158 1.00 1.44 H new ATOM 0 HH11 ARG B 29 -15.107 -12.262 -10.270 1.00 2.62 H new ATOM 0 HH12 ARG B 29 -14.847 -13.123 -11.790 1.00 2.62 H new ATOM 0 HH21 ARG B 29 -11.456 -13.862 -11.145 1.00 2.09 H new ATOM 0 HH22 ARG B 29 -12.802 -14.018 -12.279 1.00 2.09 H new ATOM 2095 N LYS B 30 -13.599 -11.653 -3.304 1.00 0.64 N ATOM 2096 CA LYS B 30 -13.407 -11.578 -1.843 1.00 0.65 C ATOM 2097 C LYS B 30 -12.206 -10.691 -1.457 1.00 0.63 C ATOM 2098 O LYS B 30 -12.252 -10.016 -0.423 1.00 0.67 O ATOM 2099 CB LYS B 30 -13.234 -12.993 -1.248 1.00 0.73 C ATOM 2100 CG LYS B 30 -14.454 -13.915 -1.409 1.00 0.79 C ATOM 2101 CD LYS B 30 -15.650 -13.457 -0.563 1.00 0.87 C ATOM 2102 CE LYS B 30 -16.833 -14.428 -0.631 1.00 1.01 C ATOM 2103 NZ LYS B 30 -17.537 -14.390 -1.948 1.00 1.11 N ATOM 0 H LYS B 30 -13.119 -12.437 -3.746 1.00 0.64 H new ATOM 0 HA LYS B 30 -14.302 -11.117 -1.426 1.00 0.65 H new ATOM 0 HB2 LYS B 30 -12.373 -13.467 -1.720 1.00 0.73 H new ATOM 0 HB3 LYS B 30 -13.005 -12.900 -0.187 1.00 0.73 H new ATOM 0 HG2 LYS B 30 -14.746 -13.947 -2.459 1.00 0.79 H new ATOM 0 HG3 LYS B 30 -14.179 -14.930 -1.124 1.00 0.79 H new ATOM 0 HD2 LYS B 30 -15.335 -13.348 0.475 1.00 0.87 H new ATOM 0 HD3 LYS B 30 -15.974 -12.473 -0.903 1.00 0.87 H new ATOM 0 HE2 LYS B 30 -16.477 -15.441 -0.443 1.00 1.01 H new ATOM 0 HE3 LYS B 30 -17.541 -14.187 0.162 1.00 1.01 H new ATOM 0 HZ1 LYS B 30 -18.328 -15.065 -1.939 1.00 1.11 H new ATOM 0 HZ2 LYS B 30 -17.903 -13.431 -2.119 1.00 1.11 H new ATOM 0 HZ3 LYS B 30 -16.872 -14.647 -2.705 1.00 1.11 H new ATOM 2117 N ASP B 31 -11.141 -10.682 -2.290 1.00 0.65 N ATOM 2118 CA ASP B 31 -9.929 -9.876 -2.017 1.00 0.69 C ATOM 2119 C ASP B 31 -9.910 -8.561 -2.836 1.00 0.64 C ATOM 2120 O ASP B 31 -8.843 -8.116 -3.279 1.00 0.88 O ATOM 2121 CB ASP B 31 -8.657 -10.709 -2.306 1.00 0.83 C ATOM 2122 CG ASP B 31 -8.548 -11.954 -1.435 1.00 0.94 C ATOM 2123 OD1 ASP B 31 -8.341 -11.809 -0.210 1.00 1.36 O ATOM 2124 OD2 ASP B 31 -8.669 -13.073 -1.979 1.00 1.24 O ATOM 0 H ASP B 31 -11.096 -11.222 -3.154 1.00 0.65 H new ATOM 0 HA ASP B 31 -9.947 -9.602 -0.962 1.00 0.69 H new ATOM 0 HB2 ASP B 31 -8.654 -11.005 -3.355 1.00 0.83 H new ATOM 0 HB3 ASP B 31 -7.777 -10.085 -2.149 1.00 0.83 H new ATOM 2129 N SER B 32 -11.091 -7.931 -3.025 1.00 0.65 N ATOM 2130 CA SER B 32 -11.197 -6.668 -3.778 1.00 0.59 C ATOM 2131 C SER B 32 -12.261 -5.741 -3.176 1.00 0.57 C ATOM 2132 O SER B 32 -13.309 -6.206 -2.722 1.00 0.64 O ATOM 2133 CB SER B 32 -11.523 -6.941 -5.255 1.00 0.59 C ATOM 2134 OG SER B 32 -12.843 -7.437 -5.414 1.00 1.13 O ATOM 0 H SER B 32 -11.980 -8.278 -2.666 1.00 0.65 H new ATOM 0 HA SER B 32 -10.230 -6.169 -3.711 1.00 0.59 H new ATOM 0 HB2 SER B 32 -11.407 -6.022 -5.830 1.00 0.59 H new ATOM 0 HB3 SER B 32 -10.812 -7.662 -5.658 1.00 0.59 H new ATOM 0 HG SER B 32 -13.135 -7.300 -6.340 1.00 1.13 H new ATOM 2140 N LEU B 33 -11.976 -4.427 -3.184 1.00 0.55 N ATOM 2141 CA LEU B 33 -12.902 -3.404 -2.661 1.00 0.56 C ATOM 2142 C LEU B 33 -13.834 -2.904 -3.783 1.00 0.55 C ATOM 2143 O LEU B 33 -13.580 -3.165 -4.962 1.00 0.72 O ATOM 2144 CB LEU B 33 -12.111 -2.217 -2.056 1.00 0.59 C ATOM 2145 CG LEU B 33 -11.391 -2.478 -0.708 1.00 0.69 C ATOM 2146 CD1 LEU B 33 -10.272 -3.520 -0.840 1.00 0.79 C ATOM 2147 CD2 LEU B 33 -10.832 -1.172 -0.144 1.00 0.75 C ATOM 0 H LEU B 33 -11.104 -4.045 -3.550 1.00 0.55 H new ATOM 0 HA LEU B 33 -13.508 -3.855 -1.875 1.00 0.56 H new ATOM 0 HB2 LEU B 33 -11.365 -1.898 -2.784 1.00 0.59 H new ATOM 0 HB3 LEU B 33 -12.800 -1.383 -1.919 1.00 0.59 H new ATOM 0 HG LEU B 33 -12.132 -2.882 -0.019 1.00 0.69 H new ATOM 0 HD11 LEU B 33 -9.797 -3.669 0.130 1.00 0.79 H new ATOM 0 HD12 LEU B 33 -10.693 -4.464 -1.187 1.00 0.79 H new ATOM 0 HD13 LEU B 33 -9.530 -3.168 -1.557 1.00 0.79 H new ATOM 0 HD21 LEU B 33 -10.329 -1.370 0.803 1.00 0.75 H new ATOM 0 HD22 LEU B 33 -10.120 -0.746 -0.851 1.00 0.75 H new ATOM 0 HD23 LEU B 33 -11.648 -0.467 0.019 1.00 0.75 H new ATOM 2159 N SER B 34 -14.925 -2.207 -3.407 1.00 0.52 N ATOM 2160 CA SER B 34 -15.891 -1.651 -4.377 1.00 0.53 C ATOM 2161 C SER B 34 -15.713 -0.130 -4.492 1.00 0.50 C ATOM 2162 O SER B 34 -15.149 0.498 -3.588 1.00 0.52 O ATOM 2163 CB SER B 34 -17.328 -1.979 -3.940 1.00 0.62 C ATOM 2164 OG SER B 34 -18.269 -1.653 -4.954 1.00 0.69 O ATOM 0 H SER B 34 -15.160 -2.015 -2.433 1.00 0.52 H new ATOM 0 HA SER B 34 -15.705 -2.102 -5.352 1.00 0.53 H new ATOM 0 HB2 SER B 34 -17.403 -3.040 -3.700 1.00 0.62 H new ATOM 0 HB3 SER B 34 -17.567 -1.429 -3.030 1.00 0.62 H new ATOM 0 HG SER B 34 -19.161 -1.567 -4.557 1.00 0.69 H new ATOM 2170 N VAL B 35 -16.203 0.466 -5.603 1.00 0.52 N ATOM 2171 CA VAL B 35 -16.085 1.924 -5.827 1.00 0.53 C ATOM 2172 C VAL B 35 -16.874 2.732 -4.767 1.00 0.48 C ATOM 2173 O VAL B 35 -16.450 3.823 -4.378 1.00 0.52 O ATOM 2174 CB VAL B 35 -16.506 2.345 -7.282 1.00 0.64 C ATOM 2175 CG1 VAL B 35 -18.011 2.164 -7.538 1.00 0.67 C ATOM 2176 CG2 VAL B 35 -16.061 3.781 -7.589 1.00 0.71 C ATOM 0 H VAL B 35 -16.680 -0.036 -6.352 1.00 0.52 H new ATOM 0 HA VAL B 35 -15.028 2.166 -5.716 1.00 0.53 H new ATOM 0 HB VAL B 35 -15.990 1.671 -7.966 1.00 0.64 H new ATOM 0 HG11 VAL B 35 -18.246 2.470 -8.558 1.00 0.67 H new ATOM 0 HG12 VAL B 35 -18.280 1.116 -7.402 1.00 0.67 H new ATOM 0 HG13 VAL B 35 -18.576 2.777 -6.836 1.00 0.67 H new ATOM 0 HG21 VAL B 35 -16.364 4.047 -8.601 1.00 0.71 H new ATOM 0 HG22 VAL B 35 -16.525 4.465 -6.879 1.00 0.71 H new ATOM 0 HG23 VAL B 35 -14.977 3.852 -7.505 1.00 0.71 H new ATOM 2186 N ASN B 36 -18.018 2.186 -4.304 1.00 0.47 N ATOM 2187 CA ASN B 36 -18.844 2.846 -3.277 1.00 0.48 C ATOM 2188 C ASN B 36 -18.257 2.641 -1.856 1.00 0.46 C ATOM 2189 O ASN B 36 -18.424 3.504 -0.989 1.00 0.66 O ATOM 2190 CB ASN B 36 -20.295 2.319 -3.345 1.00 0.55 C ATOM 2191 CG ASN B 36 -21.278 3.155 -2.528 1.00 0.64 C ATOM 2192 OD1 ASN B 36 -21.851 4.118 -3.035 1.00 0.83 O ATOM 2193 ND2 ASN B 36 -21.476 2.796 -1.257 1.00 0.79 N ATOM 0 H ASN B 36 -18.388 1.292 -4.626 1.00 0.47 H new ATOM 0 HA ASN B 36 -18.844 3.917 -3.481 1.00 0.48 H new ATOM 0 HB2 ASN B 36 -20.620 2.302 -4.385 1.00 0.55 H new ATOM 0 HB3 ASN B 36 -20.318 1.290 -2.987 1.00 0.55 H new ATOM 0 HD21 ASN B 36 -22.121 3.327 -0.672 1.00 0.79 H new ATOM 0 HD22 ASN B 36 -20.982 1.991 -0.872 1.00 0.79 H new ATOM 2200 N GLU B 37 -17.563 1.501 -1.631 1.00 0.46 N ATOM 2201 CA GLU B 37 -16.958 1.180 -0.317 1.00 0.50 C ATOM 2202 C GLU B 37 -15.730 2.066 -0.015 1.00 0.45 C ATOM 2203 O GLU B 37 -15.583 2.547 1.112 1.00 0.46 O ATOM 2204 CB GLU B 37 -16.569 -0.314 -0.252 1.00 0.62 C ATOM 2205 CG GLU B 37 -17.764 -1.275 -0.242 1.00 0.69 C ATOM 2206 CD GLU B 37 -17.377 -2.720 -0.530 1.00 0.88 C ATOM 2207 OE1 GLU B 37 -16.267 -3.135 -0.130 1.00 1.61 O ATOM 2208 OE2 GLU B 37 -18.186 -3.435 -1.157 1.00 1.28 O ATOM 0 H GLU B 37 -17.408 0.788 -2.343 1.00 0.46 H new ATOM 0 HA GLU B 37 -17.709 1.387 0.446 1.00 0.50 H new ATOM 0 HB2 GLU B 37 -15.934 -0.550 -1.106 1.00 0.62 H new ATOM 0 HB3 GLU B 37 -15.973 -0.484 0.645 1.00 0.62 H new ATOM 0 HG2 GLU B 37 -18.254 -1.224 0.730 1.00 0.69 H new ATOM 0 HG3 GLU B 37 -18.492 -0.946 -0.984 1.00 0.69 H new ATOM 2215 N PHE B 38 -14.849 2.277 -1.021 1.00 0.43 N ATOM 2216 CA PHE B 38 -13.638 3.115 -0.850 1.00 0.43 C ATOM 2217 C PHE B 38 -14.004 4.618 -0.720 1.00 0.39 C ATOM 2218 O PHE B 38 -13.354 5.350 0.030 1.00 0.42 O ATOM 2219 CB PHE B 38 -12.610 2.854 -1.999 1.00 0.48 C ATOM 2220 CG PHE B 38 -12.438 3.979 -3.014 1.00 0.46 C ATOM 2221 CD1 PHE B 38 -13.285 4.081 -4.110 1.00 0.52 C ATOM 2222 CD2 PHE B 38 -11.433 4.932 -2.862 1.00 0.55 C ATOM 2223 CE1 PHE B 38 -13.135 5.102 -5.029 1.00 0.61 C ATOM 2224 CE2 PHE B 38 -11.282 5.954 -3.780 1.00 0.65 C ATOM 2225 CZ PHE B 38 -12.133 6.039 -4.864 1.00 0.66 C ATOM 0 H PHE B 38 -14.953 1.881 -1.955 1.00 0.43 H new ATOM 0 HA PHE B 38 -13.156 2.827 0.084 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -11.639 2.646 -1.550 1.00 0.48 H new ATOM 0 HB3 PHE B 38 -12.914 1.954 -2.533 1.00 0.48 H new ATOM 0 HD1 PHE B 38 -14.071 3.353 -4.246 1.00 0.52 H new ATOM 0 HD2 PHE B 38 -10.764 4.871 -2.016 1.00 0.55 H new ATOM 0 HE1 PHE B 38 -13.801 5.168 -5.877 1.00 0.61 H new ATOM 0 HE2 PHE B 38 -10.499 6.686 -3.650 1.00 0.65 H new ATOM 0 HZ PHE B 38 -12.016 6.837 -5.582 1.00 0.66 H new ATOM 2235 N LYS B 39 -15.041 5.062 -1.471 1.00 0.37 N ATOM 2236 CA LYS B 39 -15.513 6.468 -1.442 1.00 0.38 C ATOM 2237 C LYS B 39 -15.990 6.869 -0.024 1.00 0.36 C ATOM 2238 O LYS B 39 -15.711 7.983 0.430 1.00 0.39 O ATOM 2239 CB LYS B 39 -16.646 6.675 -2.479 1.00 0.43 C ATOM 2240 CG LYS B 39 -16.988 8.138 -2.792 1.00 0.50 C ATOM 2241 CD LYS B 39 -18.231 8.249 -3.682 1.00 0.60 C ATOM 2242 CE LYS B 39 -18.609 9.700 -4.000 1.00 0.70 C ATOM 2243 NZ LYS B 39 -17.775 10.287 -5.090 1.00 0.81 N ATOM 0 H LYS B 39 -15.568 4.464 -2.107 1.00 0.37 H new ATOM 0 HA LYS B 39 -14.675 7.113 -1.706 1.00 0.38 H new ATOM 0 HB2 LYS B 39 -16.362 6.179 -3.407 1.00 0.43 H new ATOM 0 HB3 LYS B 39 -17.545 6.179 -2.114 1.00 0.43 H new ATOM 0 HG2 LYS B 39 -17.157 8.680 -1.861 1.00 0.50 H new ATOM 0 HG3 LYS B 39 -16.141 8.612 -3.288 1.00 0.50 H new ATOM 0 HD2 LYS B 39 -18.053 7.712 -4.614 1.00 0.60 H new ATOM 0 HD3 LYS B 39 -19.070 7.760 -3.188 1.00 0.60 H new ATOM 0 HE2 LYS B 39 -19.659 9.743 -4.289 1.00 0.70 H new ATOM 0 HE3 LYS B 39 -18.501 10.305 -3.100 1.00 0.70 H new ATOM 0 HZ1 LYS B 39 -17.977 11.304 -5.173 1.00 0.81 H new ATOM 0 HZ2 LYS B 39 -16.768 10.151 -4.868 1.00 0.81 H new ATOM 0 HZ3 LYS B 39 -17.998 9.816 -5.990 1.00 0.81 H new ATOM 2257 N GLU B 40 -16.700 5.948 0.669 1.00 0.35 N ATOM 2258 CA GLU B 40 -17.197 6.194 2.040 1.00 0.38 C ATOM 2259 C GLU B 40 -16.085 5.971 3.088 1.00 0.38 C ATOM 2260 O GLU B 40 -16.149 6.546 4.181 1.00 0.41 O ATOM 2261 CB GLU B 40 -18.414 5.298 2.359 1.00 0.43 C ATOM 2262 CG GLU B 40 -19.641 5.585 1.491 1.00 0.47 C ATOM 2263 CD GLU B 40 -20.858 4.769 1.892 1.00 0.56 C ATOM 2264 OE1 GLU B 40 -20.863 3.544 1.639 1.00 0.63 O ATOM 2265 OE2 GLU B 40 -21.805 5.355 2.457 1.00 0.69 O ATOM 0 H GLU B 40 -16.941 5.028 0.300 1.00 0.35 H new ATOM 0 HA GLU B 40 -17.511 7.237 2.089 1.00 0.38 H new ATOM 0 HB2 GLU B 40 -18.127 4.254 2.232 1.00 0.43 H new ATOM 0 HB3 GLU B 40 -18.684 5.429 3.407 1.00 0.43 H new ATOM 0 HG2 GLU B 40 -19.885 6.645 1.556 1.00 0.47 H new ATOM 0 HG3 GLU B 40 -19.398 5.377 0.449 1.00 0.47 H new ATOM 2272 N LEU B 41 -15.070 5.140 2.755 1.00 0.37 N ATOM 2273 CA LEU B 41 -13.940 4.861 3.667 1.00 0.40 C ATOM 2274 C LEU B 41 -13.060 6.115 3.847 1.00 0.38 C ATOM 2275 O LEU B 41 -12.699 6.459 4.974 1.00 0.40 O ATOM 2276 CB LEU B 41 -13.100 3.667 3.143 1.00 0.44 C ATOM 2277 CG LEU B 41 -11.922 3.196 4.042 1.00 0.55 C ATOM 2278 CD1 LEU B 41 -12.420 2.741 5.419 1.00 0.68 C ATOM 2279 CD2 LEU B 41 -11.121 2.082 3.354 1.00 0.64 C ATOM 0 H LEU B 41 -15.012 4.652 1.861 1.00 0.37 H new ATOM 0 HA LEU B 41 -14.345 4.591 4.642 1.00 0.40 H new ATOM 0 HB2 LEU B 41 -13.770 2.821 2.989 1.00 0.44 H new ATOM 0 HB3 LEU B 41 -12.697 3.937 2.167 1.00 0.44 H new ATOM 0 HG LEU B 41 -11.259 4.048 4.194 1.00 0.55 H new ATOM 0 HD11 LEU B 41 -11.573 2.418 6.024 1.00 0.68 H new ATOM 0 HD12 LEU B 41 -12.925 3.570 5.915 1.00 0.68 H new ATOM 0 HD13 LEU B 41 -13.117 1.912 5.298 1.00 0.68 H new ATOM 0 HD21 LEU B 41 -10.302 1.769 4.002 1.00 0.64 H new ATOM 0 HD22 LEU B 41 -11.774 1.232 3.158 1.00 0.64 H new ATOM 0 HD23 LEU B 41 -10.717 2.453 2.412 1.00 0.64 H new ATOM 2291 N VAL B 42 -12.727 6.796 2.727 1.00 0.37 N ATOM 2292 CA VAL B 42 -11.903 8.025 2.762 1.00 0.38 C ATOM 2293 C VAL B 42 -12.685 9.210 3.382 1.00 0.39 C ATOM 2294 O VAL B 42 -12.074 10.113 3.957 1.00 0.43 O ATOM 2295 CB VAL B 42 -11.368 8.415 1.337 1.00 0.43 C ATOM 2296 CG1 VAL B 42 -10.528 9.703 1.366 1.00 0.48 C ATOM 2297 CG2 VAL B 42 -10.544 7.272 0.731 1.00 0.47 C ATOM 0 H VAL B 42 -13.016 6.516 1.790 1.00 0.37 H new ATOM 0 HA VAL B 42 -11.043 7.807 3.395 1.00 0.38 H new ATOM 0 HB VAL B 42 -12.242 8.599 0.712 1.00 0.43 H new ATOM 0 HG11 VAL B 42 -10.180 9.933 0.359 1.00 0.48 H new ATOM 0 HG12 VAL B 42 -11.138 10.527 1.736 1.00 0.48 H new ATOM 0 HG13 VAL B 42 -9.670 9.563 2.023 1.00 0.48 H new ATOM 0 HG21 VAL B 42 -10.185 7.566 -0.255 1.00 0.47 H new ATOM 0 HG22 VAL B 42 -9.694 7.054 1.377 1.00 0.47 H new ATOM 0 HG23 VAL B 42 -11.167 6.383 0.640 1.00 0.47 H new ATOM 2307 N THR B 43 -14.033 9.193 3.273 1.00 0.38 N ATOM 2308 CA THR B 43 -14.884 10.268 3.813 1.00 0.42 C ATOM 2309 C THR B 43 -15.537 9.876 5.170 1.00 0.48 C ATOM 2310 O THR B 43 -16.656 10.310 5.470 1.00 0.83 O ATOM 2311 CB THR B 43 -15.987 10.666 2.774 1.00 0.44 C ATOM 2312 OG1 THR B 43 -15.454 10.635 1.434 1.00 0.46 O ATOM 2313 CG2 THR B 43 -16.561 12.062 3.058 1.00 0.49 C ATOM 0 H THR B 43 -14.552 8.444 2.815 1.00 0.38 H new ATOM 0 HA THR B 43 -14.239 11.127 3.999 1.00 0.42 H new ATOM 0 HB THR B 43 -16.792 9.937 2.867 1.00 0.44 H new ATOM 0 HG1 THR B 43 -15.532 9.728 1.072 1.00 0.46 H new ATOM 0 HG21 THR B 43 -17.322 12.300 2.315 1.00 0.49 H new ATOM 0 HG22 THR B 43 -17.007 12.077 4.053 1.00 0.49 H new ATOM 0 HG23 THR B 43 -15.762 12.801 3.008 1.00 0.49 H new ATOM 2321 N GLN B 44 -14.835 9.068 6.007 1.00 0.42 N ATOM 2322 CA GLN B 44 -15.380 8.657 7.320 1.00 0.44 C ATOM 2323 C GLN B 44 -14.276 8.182 8.295 1.00 0.44 C ATOM 2324 O GLN B 44 -14.104 8.785 9.360 1.00 0.50 O ATOM 2325 CB GLN B 44 -16.469 7.566 7.142 1.00 0.47 C ATOM 2326 CG GLN B 44 -17.399 7.393 8.348 1.00 0.58 C ATOM 2327 CD GLN B 44 -18.639 6.559 8.027 1.00 0.67 C ATOM 2328 OE1 GLN B 44 -19.661 7.100 7.603 1.00 0.91 O ATOM 2329 NE2 GLN B 44 -18.561 5.240 8.220 1.00 0.98 N ATOM 0 H GLN B 44 -13.908 8.696 5.798 1.00 0.42 H new ATOM 0 HA GLN B 44 -15.838 9.539 7.768 1.00 0.44 H new ATOM 0 HB2 GLN B 44 -17.071 7.811 6.267 1.00 0.47 H new ATOM 0 HB3 GLN B 44 -15.981 6.613 6.936 1.00 0.47 H new ATOM 0 HG2 GLN B 44 -16.848 6.918 9.160 1.00 0.58 H new ATOM 0 HG3 GLN B 44 -17.710 8.375 8.705 1.00 0.58 H new ATOM 0 HE21 GLN B 44 -17.698 4.826 8.573 1.00 0.98 H new ATOM 0 HE22 GLN B 44 -19.365 4.646 8.015 1.00 0.98 H new ATOM 2338 N GLN B 45 -13.532 7.109 7.928 1.00 0.42 N ATOM 2339 CA GLN B 45 -12.457 6.553 8.788 1.00 0.43 C ATOM 2340 C GLN B 45 -11.041 6.997 8.339 1.00 0.41 C ATOM 2341 O GLN B 45 -10.074 6.793 9.083 1.00 0.46 O ATOM 2342 CB GLN B 45 -12.558 5.007 8.835 1.00 0.47 C ATOM 2343 CG GLN B 45 -11.832 4.365 10.028 1.00 0.57 C ATOM 2344 CD GLN B 45 -12.258 2.919 10.302 1.00 0.62 C ATOM 2345 OE1 GLN B 45 -12.602 2.175 9.382 1.00 0.70 O ATOM 2346 NE2 GLN B 45 -12.233 2.505 11.574 1.00 0.73 N ATOM 0 H GLN B 45 -13.656 6.613 7.045 1.00 0.42 H new ATOM 0 HA GLN B 45 -12.605 6.955 9.790 1.00 0.43 H new ATOM 0 HB2 GLN B 45 -13.610 4.724 8.869 1.00 0.47 H new ATOM 0 HB3 GLN B 45 -12.147 4.599 7.911 1.00 0.47 H new ATOM 0 HG2 GLN B 45 -10.758 4.389 9.844 1.00 0.57 H new ATOM 0 HG3 GLN B 45 -12.017 4.964 10.920 1.00 0.57 H new ATOM 0 HE21 GLN B 45 -11.943 3.145 12.313 1.00 0.73 H new ATOM 0 HE22 GLN B 45 -12.504 1.549 11.805 1.00 0.73 H new ATOM 2355 N LEU B 46 -10.915 7.603 7.135 1.00 0.39 N ATOM 2356 CA LEU B 46 -9.613 8.076 6.620 1.00 0.38 C ATOM 2357 C LEU B 46 -9.723 9.510 6.006 1.00 0.38 C ATOM 2358 O LEU B 46 -9.213 9.746 4.905 1.00 0.41 O ATOM 2359 CB LEU B 46 -9.099 7.054 5.569 1.00 0.40 C ATOM 2360 CG LEU B 46 -7.565 6.965 5.375 1.00 0.41 C ATOM 2361 CD1 LEU B 46 -6.900 6.249 6.554 1.00 0.58 C ATOM 2362 CD2 LEU B 46 -7.231 6.254 4.057 1.00 0.62 C ATOM 0 H LEU B 46 -11.699 7.775 6.505 1.00 0.39 H new ATOM 0 HA LEU B 46 -8.903 8.146 7.444 1.00 0.38 H new ATOM 0 HB2 LEU B 46 -9.464 6.066 5.849 1.00 0.40 H new ATOM 0 HB3 LEU B 46 -9.550 7.300 4.607 1.00 0.40 H new ATOM 0 HG LEU B 46 -7.171 7.981 5.333 1.00 0.41 H new ATOM 0 HD11 LEU B 46 -5.823 6.201 6.390 1.00 0.58 H new ATOM 0 HD12 LEU B 46 -7.103 6.797 7.474 1.00 0.58 H new ATOM 0 HD13 LEU B 46 -7.299 5.238 6.638 1.00 0.58 H new ATOM 0 HD21 LEU B 46 -6.149 6.200 3.937 1.00 0.62 H new ATOM 0 HD22 LEU B 46 -7.645 5.246 4.072 1.00 0.62 H new ATOM 0 HD23 LEU B 46 -7.661 6.810 3.224 1.00 0.62 H new ATOM 2374 N PRO B 47 -10.374 10.509 6.710 1.00 0.40 N ATOM 2375 CA PRO B 47 -10.533 11.886 6.180 1.00 0.42 C ATOM 2376 C PRO B 47 -9.320 12.824 6.396 1.00 0.42 C ATOM 2377 O PRO B 47 -9.014 13.636 5.516 1.00 0.46 O ATOM 2378 CB PRO B 47 -11.759 12.391 6.953 1.00 0.48 C ATOM 2379 CG PRO B 47 -11.642 11.740 8.291 1.00 0.48 C ATOM 2380 CD PRO B 47 -11.035 10.382 8.044 1.00 0.44 C ATOM 0 HA PRO B 47 -10.632 11.879 5.095 1.00 0.42 H new ATOM 0 HB2 PRO B 47 -11.757 13.478 7.037 1.00 0.48 H new ATOM 0 HB3 PRO B 47 -12.687 12.112 6.454 1.00 0.48 H new ATOM 0 HG2 PRO B 47 -11.015 12.331 8.959 1.00 0.48 H new ATOM 0 HG3 PRO B 47 -12.618 11.650 8.767 1.00 0.48 H new ATOM 0 HD2 PRO B 47 -10.316 10.121 8.821 1.00 0.44 H new ATOM 0 HD3 PRO B 47 -11.796 9.602 8.038 1.00 0.44 H new ATOM 2388 N HIS B 48 -8.639 12.722 7.562 1.00 0.42 N ATOM 2389 CA HIS B 48 -7.481 13.590 7.879 1.00 0.44 C ATOM 2390 C HIS B 48 -6.240 13.238 7.039 1.00 0.43 C ATOM 2391 O HIS B 48 -5.465 14.134 6.691 1.00 0.49 O ATOM 2392 CB HIS B 48 -7.140 13.524 9.383 1.00 0.49 C ATOM 2393 CG HIS B 48 -8.217 14.079 10.278 1.00 0.56 C ATOM 2394 ND1 HIS B 48 -9.191 13.295 10.863 1.00 0.67 N ATOM 2395 CD2 HIS B 48 -8.472 15.349 10.681 1.00 0.70 C ATOM 2396 CE1 HIS B 48 -9.994 14.058 11.584 1.00 0.79 C ATOM 2397 NE2 HIS B 48 -9.580 15.308 11.491 1.00 0.81 N ATOM 0 H HIS B 48 -8.870 12.051 8.295 1.00 0.42 H new ATOM 0 HA HIS B 48 -7.773 14.609 7.624 1.00 0.44 H new ATOM 0 HB2 HIS B 48 -6.952 12.486 9.658 1.00 0.49 H new ATOM 0 HB3 HIS B 48 -6.215 14.073 9.560 1.00 0.49 H new ATOM 0 HD2 HIS B 48 -7.907 16.230 10.414 1.00 0.70 H new ATOM 0 HE1 HIS B 48 -10.846 13.716 12.153 1.00 0.79 H new ATOM 0 HE2 HIS B 48 -10.012 16.112 11.946 1.00 0.81 H new ATOM 2406 N LEU B 49 -6.049 11.937 6.721 1.00 0.41 N ATOM 2407 CA LEU B 49 -4.903 11.484 5.907 1.00 0.42 C ATOM 2408 C LEU B 49 -4.980 12.060 4.484 1.00 0.40 C ATOM 2409 O LEU B 49 -4.067 12.768 4.047 1.00 0.48 O ATOM 2410 CB LEU B 49 -4.846 9.939 5.850 1.00 0.43 C ATOM 2411 CG LEU B 49 -3.622 9.327 5.128 1.00 0.52 C ATOM 2412 CD1 LEU B 49 -2.337 9.599 5.905 1.00 0.88 C ATOM 2413 CD2 LEU B 49 -3.818 7.827 4.912 1.00 0.62 C ATOM 0 H LEU B 49 -6.673 11.186 7.016 1.00 0.41 H new ATOM 0 HA LEU B 49 -3.993 11.850 6.382 1.00 0.42 H new ATOM 0 HB2 LEU B 49 -4.868 9.557 6.871 1.00 0.43 H new ATOM 0 HB3 LEU B 49 -5.749 9.581 5.356 1.00 0.43 H new ATOM 0 HG LEU B 49 -3.532 9.804 4.152 1.00 0.52 H new ATOM 0 HD11 LEU B 49 -1.492 9.158 5.376 1.00 0.88 H new ATOM 0 HD12 LEU B 49 -2.187 10.675 5.996 1.00 0.88 H new ATOM 0 HD13 LEU B 49 -2.413 9.158 6.899 1.00 0.88 H new ATOM 0 HD21 LEU B 49 -2.946 7.416 4.403 1.00 0.62 H new ATOM 0 HD22 LEU B 49 -3.941 7.334 5.876 1.00 0.62 H new ATOM 0 HD23 LEU B 49 -4.706 7.660 4.303 1.00 0.62 H new ATOM 2425 N LEU B 50 -6.079 11.744 3.769 1.00 0.38 N ATOM 2426 CA LEU B 50 -6.295 12.222 2.400 1.00 0.41 C ATOM 2427 C LEU B 50 -6.999 13.587 2.422 1.00 0.45 C ATOM 2428 O LEU B 50 -8.217 13.660 2.607 1.00 0.52 O ATOM 2429 CB LEU B 50 -7.117 11.191 1.590 1.00 0.44 C ATOM 2430 CG LEU B 50 -6.358 9.910 1.164 1.00 0.51 C ATOM 2431 CD1 LEU B 50 -7.317 8.869 0.584 1.00 0.57 C ATOM 2432 CD2 LEU B 50 -5.248 10.238 0.160 1.00 0.70 C ATOM 0 H LEU B 50 -6.832 11.155 4.126 1.00 0.38 H new ATOM 0 HA LEU B 50 -5.328 12.341 1.912 1.00 0.41 H new ATOM 0 HB2 LEU B 50 -7.983 10.897 2.184 1.00 0.44 H new ATOM 0 HB3 LEU B 50 -7.497 11.681 0.693 1.00 0.44 H new ATOM 0 HG LEU B 50 -5.897 9.486 2.056 1.00 0.51 H new ATOM 0 HD11 LEU B 50 -6.757 7.980 0.293 1.00 0.57 H new ATOM 0 HD12 LEU B 50 -8.060 8.600 1.335 1.00 0.57 H new ATOM 0 HD13 LEU B 50 -7.819 9.284 -0.290 1.00 0.57 H new ATOM 0 HD21 LEU B 50 -4.731 9.321 -0.123 1.00 0.70 H new ATOM 0 HD22 LEU B 50 -5.684 10.697 -0.727 1.00 0.70 H new ATOM 0 HD23 LEU B 50 -4.539 10.929 0.615 1.00 0.70 H new ATOM 2444 N LYS B 51 -6.208 14.670 2.252 1.00 0.50 N ATOM 2445 CA LYS B 51 -6.727 16.061 2.235 1.00 0.58 C ATOM 2446 C LYS B 51 -7.873 16.249 1.213 1.00 0.53 C ATOM 2447 O LYS B 51 -8.803 17.023 1.460 1.00 0.61 O ATOM 2448 CB LYS B 51 -5.584 17.062 1.932 1.00 0.68 C ATOM 2449 CG LYS B 51 -4.882 16.850 0.578 1.00 0.72 C ATOM 2450 CD LYS B 51 -3.699 17.794 0.385 1.00 1.06 C ATOM 2451 CE LYS B 51 -3.027 17.604 -0.973 1.00 1.03 C ATOM 2452 NZ LYS B 51 -3.840 18.155 -2.099 1.00 1.23 N ATOM 0 H LYS B 51 -5.198 14.608 2.123 1.00 0.50 H new ATOM 0 HA LYS B 51 -7.134 16.260 3.227 1.00 0.58 H new ATOM 0 HB2 LYS B 51 -5.989 18.074 1.961 1.00 0.68 H new ATOM 0 HB3 LYS B 51 -4.840 16.993 2.726 1.00 0.68 H new ATOM 0 HG2 LYS B 51 -4.536 15.819 0.508 1.00 0.72 H new ATOM 0 HG3 LYS B 51 -5.600 17.001 -0.228 1.00 0.72 H new ATOM 0 HD2 LYS B 51 -4.040 18.825 0.479 1.00 1.06 H new ATOM 0 HD3 LYS B 51 -2.969 17.626 1.177 1.00 1.06 H new ATOM 0 HE2 LYS B 51 -2.051 18.090 -0.963 1.00 1.03 H new ATOM 0 HE3 LYS B 51 -2.852 16.542 -1.142 1.00 1.03 H new ATOM 0 HZ1 LYS B 51 -3.339 18.000 -2.997 1.00 1.23 H new ATOM 0 HZ2 LYS B 51 -4.762 17.674 -2.129 1.00 1.23 H new ATOM 0 HZ3 LYS B 51 -3.986 19.175 -1.955 1.00 1.23 H new ATOM 2466 N ASP B 52 -7.786 15.536 0.073 1.00 0.48 N ATOM 2467 CA ASP B 52 -8.788 15.606 -0.995 1.00 0.54 C ATOM 2468 C ASP B 52 -9.866 14.514 -0.796 1.00 0.48 C ATOM 2469 O ASP B 52 -9.795 13.439 -1.407 1.00 0.60 O ATOM 2470 CB ASP B 52 -8.077 15.451 -2.364 1.00 0.69 C ATOM 2471 CG ASP B 52 -8.857 15.995 -3.552 1.00 1.20 C ATOM 2472 OD1 ASP B 52 -10.003 16.462 -3.369 1.00 1.78 O ATOM 2473 OD2 ASP B 52 -8.306 15.955 -4.674 1.00 1.94 O ATOM 0 H ASP B 52 -7.017 14.897 -0.128 1.00 0.48 H new ATOM 0 HA ASP B 52 -9.292 16.572 -0.966 1.00 0.54 H new ATOM 0 HB2 ASP B 52 -7.113 15.958 -2.317 1.00 0.69 H new ATOM 0 HB3 ASP B 52 -7.873 14.394 -2.534 1.00 0.69 H new ATOM 2478 N VAL B 53 -10.859 14.792 0.078 1.00 0.44 N ATOM 2479 CA VAL B 53 -11.952 13.831 0.368 1.00 0.45 C ATOM 2480 C VAL B 53 -13.126 13.942 -0.634 1.00 0.46 C ATOM 2481 O VAL B 53 -13.882 12.981 -0.791 1.00 0.57 O ATOM 2482 CB VAL B 53 -12.500 13.964 1.833 1.00 0.53 C ATOM 2483 CG1 VAL B 53 -11.401 13.694 2.862 1.00 0.60 C ATOM 2484 CG2 VAL B 53 -13.161 15.332 2.090 1.00 0.58 C ATOM 0 H VAL B 53 -10.928 15.669 0.594 1.00 0.44 H new ATOM 0 HA VAL B 53 -11.497 12.847 0.257 1.00 0.45 H new ATOM 0 HB VAL B 53 -13.274 13.205 1.947 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -11.811 13.794 3.867 1.00 0.60 H new ATOM 0 HG12 VAL B 53 -11.015 12.684 2.726 1.00 0.60 H new ATOM 0 HG13 VAL B 53 -10.592 14.412 2.727 1.00 0.60 H new ATOM 0 HG21 VAL B 53 -13.524 15.374 3.117 1.00 0.58 H new ATOM 0 HG22 VAL B 53 -12.430 16.125 1.931 1.00 0.58 H new ATOM 0 HG23 VAL B 53 -13.998 15.466 1.404 1.00 0.58 H new ATOM 2494 N GLY B 54 -13.281 15.113 -1.295 1.00 0.44 N ATOM 2495 CA GLY B 54 -14.368 15.320 -2.255 1.00 0.51 C ATOM 2496 C GLY B 54 -14.006 14.926 -3.686 1.00 0.51 C ATOM 2497 O GLY B 54 -14.808 14.281 -4.369 1.00 0.67 O ATOM 0 H GLY B 54 -12.667 15.918 -1.176 1.00 0.44 H new ATOM 0 HA2 GLY B 54 -15.236 14.743 -1.937 1.00 0.51 H new ATOM 0 HA3 GLY B 54 -14.660 16.370 -2.239 1.00 0.51 H new ATOM 2501 N SER B 55 -12.796 15.315 -4.144 1.00 0.51 N ATOM 2502 CA SER B 55 -12.338 15.009 -5.512 1.00 0.57 C ATOM 2503 C SER B 55 -11.574 13.661 -5.572 1.00 0.52 C ATOM 2504 O SER B 55 -10.351 13.634 -5.767 1.00 0.63 O ATOM 2505 CB SER B 55 -11.472 16.168 -6.064 1.00 0.74 C ATOM 2506 OG SER B 55 -11.520 16.216 -7.483 1.00 0.92 O ATOM 0 H SER B 55 -12.122 15.840 -3.586 1.00 0.51 H new ATOM 0 HA SER B 55 -13.219 14.906 -6.145 1.00 0.57 H new ATOM 0 HB2 SER B 55 -11.823 17.115 -5.654 1.00 0.74 H new ATOM 0 HB3 SER B 55 -10.440 16.042 -5.737 1.00 0.74 H new ATOM 0 HG SER B 55 -12.199 15.589 -7.809 1.00 0.92 H new ATOM 2512 N LEU B 56 -12.310 12.534 -5.401 1.00 0.47 N ATOM 2513 CA LEU B 56 -11.704 11.181 -5.472 1.00 0.47 C ATOM 2514 C LEU B 56 -11.395 10.792 -6.931 1.00 0.48 C ATOM 2515 O LEU B 56 -10.616 9.863 -7.161 1.00 0.81 O ATOM 2516 CB LEU B 56 -12.597 10.085 -4.826 1.00 0.58 C ATOM 2517 CG LEU B 56 -12.958 10.238 -3.319 1.00 0.75 C ATOM 2518 CD1 LEU B 56 -11.779 10.765 -2.489 1.00 1.09 C ATOM 2519 CD2 LEU B 56 -14.197 11.114 -3.131 1.00 1.24 C ATOM 0 H LEU B 56 -13.313 12.535 -5.215 1.00 0.47 H new ATOM 0 HA LEU B 56 -10.778 11.235 -4.900 1.00 0.47 H new ATOM 0 HB2 LEU B 56 -13.528 10.036 -5.390 1.00 0.58 H new ATOM 0 HB3 LEU B 56 -12.096 9.126 -4.955 1.00 0.58 H new ATOM 0 HG LEU B 56 -13.189 9.240 -2.948 1.00 0.75 H new ATOM 0 HD11 LEU B 56 -12.080 10.855 -1.445 1.00 1.09 H new ATOM 0 HD12 LEU B 56 -10.941 10.072 -2.567 1.00 1.09 H new ATOM 0 HD13 LEU B 56 -11.478 11.743 -2.865 1.00 1.09 H new ATOM 0 HD21 LEU B 56 -14.423 11.201 -2.068 1.00 1.24 H new ATOM 0 HD22 LEU B 56 -14.008 12.105 -3.544 1.00 1.24 H new ATOM 0 HD23 LEU B 56 -15.044 10.661 -3.646 1.00 1.24 H new ATOM 2531 N ASP B 57 -12.008 11.511 -7.914 1.00 0.48 N ATOM 2532 CA ASP B 57 -11.787 11.266 -9.360 1.00 0.49 C ATOM 2533 C ASP B 57 -10.288 11.219 -9.737 1.00 0.44 C ATOM 2534 O ASP B 57 -9.912 10.476 -10.649 1.00 0.46 O ATOM 2535 CB ASP B 57 -12.530 12.316 -10.223 1.00 0.60 C ATOM 2536 CG ASP B 57 -12.140 13.757 -9.914 1.00 0.64 C ATOM 2537 OD1 ASP B 57 -12.703 14.329 -8.958 1.00 0.73 O ATOM 2538 OD2 ASP B 57 -11.278 14.307 -10.632 1.00 0.69 O ATOM 0 H ASP B 57 -12.663 12.269 -7.723 1.00 0.48 H new ATOM 0 HA ASP B 57 -12.200 10.280 -9.571 1.00 0.49 H new ATOM 0 HB2 ASP B 57 -12.331 12.114 -11.275 1.00 0.60 H new ATOM 0 HB3 ASP B 57 -13.604 12.200 -10.074 1.00 0.60 H new ATOM 2543 N GLU B 58 -9.437 12.017 -9.039 1.00 0.45 N ATOM 2544 CA GLU B 58 -7.980 12.025 -9.295 1.00 0.50 C ATOM 2545 C GLU B 58 -7.373 10.624 -9.048 1.00 0.47 C ATOM 2546 O GLU B 58 -6.538 10.163 -9.834 1.00 0.57 O ATOM 2547 CB GLU B 58 -7.263 13.083 -8.421 1.00 0.59 C ATOM 2548 CG GLU B 58 -5.819 13.356 -8.849 1.00 0.73 C ATOM 2549 CD GLU B 58 -5.155 14.464 -8.053 1.00 0.92 C ATOM 2550 OE1 GLU B 58 -5.379 15.648 -8.389 1.00 1.10 O ATOM 2551 OE2 GLU B 58 -4.410 14.150 -7.102 1.00 1.06 O ATOM 0 H GLU B 58 -9.736 12.656 -8.302 1.00 0.45 H new ATOM 0 HA GLU B 58 -7.829 12.291 -10.341 1.00 0.50 H new ATOM 0 HB2 GLU B 58 -7.827 14.015 -8.459 1.00 0.59 H new ATOM 0 HB3 GLU B 58 -7.268 12.749 -7.383 1.00 0.59 H new ATOM 0 HG2 GLU B 58 -5.236 12.441 -8.741 1.00 0.73 H new ATOM 0 HG3 GLU B 58 -5.805 13.619 -9.907 1.00 0.73 H new ATOM 2558 N LYS B 59 -7.813 9.956 -7.955 1.00 0.43 N ATOM 2559 CA LYS B 59 -7.342 8.602 -7.595 1.00 0.48 C ATOM 2560 C LYS B 59 -8.484 7.563 -7.775 1.00 0.54 C ATOM 2561 O LYS B 59 -8.627 6.633 -6.975 1.00 0.91 O ATOM 2562 CB LYS B 59 -6.787 8.594 -6.138 1.00 0.52 C ATOM 2563 CG LYS B 59 -5.274 8.349 -6.036 1.00 0.59 C ATOM 2564 CD LYS B 59 -4.445 9.596 -6.384 1.00 0.79 C ATOM 2565 CE LYS B 59 -3.343 9.309 -7.409 1.00 1.19 C ATOM 2566 NZ LYS B 59 -2.453 10.491 -7.627 1.00 1.47 N ATOM 0 H LYS B 59 -8.499 10.339 -7.304 1.00 0.43 H new ATOM 0 HA LYS B 59 -6.530 8.320 -8.265 1.00 0.48 H new ATOM 0 HB2 LYS B 59 -7.020 9.549 -5.668 1.00 0.52 H new ATOM 0 HB3 LYS B 59 -7.307 7.823 -5.569 1.00 0.52 H new ATOM 0 HG2 LYS B 59 -5.030 8.027 -5.024 1.00 0.59 H new ATOM 0 HG3 LYS B 59 -4.996 7.535 -6.705 1.00 0.59 H new ATOM 0 HD2 LYS B 59 -5.107 10.369 -6.775 1.00 0.79 H new ATOM 0 HD3 LYS B 59 -3.994 9.993 -5.474 1.00 0.79 H new ATOM 0 HE2 LYS B 59 -2.745 8.463 -7.070 1.00 1.19 H new ATOM 0 HE3 LYS B 59 -3.797 9.018 -8.356 1.00 1.19 H new ATOM 0 HZ1 LYS B 59 -1.683 10.231 -8.276 1.00 1.47 H new ATOM 0 HZ2 LYS B 59 -3.005 11.270 -8.040 1.00 1.47 H new ATOM 0 HZ3 LYS B 59 -2.051 10.795 -6.717 1.00 1.47 H new ATOM 2580 N MET B 60 -9.286 7.732 -8.846 1.00 0.40 N ATOM 2581 CA MET B 60 -10.412 6.831 -9.165 1.00 0.43 C ATOM 2582 C MET B 60 -10.116 6.066 -10.464 1.00 0.45 C ATOM 2583 O MET B 60 -10.196 4.833 -10.494 1.00 0.49 O ATOM 2584 CB MET B 60 -11.708 7.654 -9.291 1.00 0.47 C ATOM 2585 CG MET B 60 -12.966 6.840 -9.585 1.00 0.55 C ATOM 2586 SD MET B 60 -14.430 7.869 -9.803 1.00 0.67 S ATOM 2587 CE MET B 60 -15.591 6.669 -10.444 1.00 0.81 C ATOM 0 H MET B 60 -9.172 8.495 -9.513 1.00 0.40 H new ATOM 0 HA MET B 60 -10.540 6.103 -8.364 1.00 0.43 H new ATOM 0 HB2 MET B 60 -11.860 8.207 -8.364 1.00 0.47 H new ATOM 0 HB3 MET B 60 -11.577 8.390 -10.084 1.00 0.47 H new ATOM 0 HG2 MET B 60 -12.807 6.247 -10.486 1.00 0.55 H new ATOM 0 HG3 MET B 60 -13.139 6.139 -8.768 1.00 0.55 H new ATOM 0 HE1 MET B 60 -16.355 7.179 -11.030 1.00 0.81 H new ATOM 0 HE2 MET B 60 -15.064 5.955 -11.077 1.00 0.81 H new ATOM 0 HE3 MET B 60 -16.062 6.140 -9.616 1.00 0.81 H new ATOM 2597 N LYS B 61 -9.777 6.814 -11.537 1.00 0.47 N ATOM 2598 CA LYS B 61 -9.438 6.223 -12.846 1.00 0.53 C ATOM 2599 C LYS B 61 -8.080 5.497 -12.781 1.00 0.48 C ATOM 2600 O LYS B 61 -7.838 4.556 -13.545 1.00 0.52 O ATOM 2601 CB LYS B 61 -9.413 7.311 -13.937 1.00 0.63 C ATOM 2602 CG LYS B 61 -10.775 7.973 -14.188 1.00 0.78 C ATOM 2603 CD LYS B 61 -10.694 9.130 -15.190 1.00 1.13 C ATOM 2604 CE LYS B 61 -10.046 10.383 -14.590 1.00 1.87 C ATOM 2605 NZ LYS B 61 -10.105 11.549 -15.518 1.00 2.39 N ATOM 0 H LYS B 61 -9.731 7.833 -11.519 1.00 0.47 H new ATOM 0 HA LYS B 61 -10.206 5.492 -13.100 1.00 0.53 H new ATOM 0 HB2 LYS B 61 -8.694 8.079 -13.653 1.00 0.63 H new ATOM 0 HB3 LYS B 61 -9.058 6.870 -14.868 1.00 0.63 H new ATOM 0 HG2 LYS B 61 -11.475 7.225 -14.559 1.00 0.78 H new ATOM 0 HG3 LYS B 61 -11.174 8.343 -13.244 1.00 0.78 H new ATOM 0 HD2 LYS B 61 -10.123 8.812 -16.062 1.00 1.13 H new ATOM 0 HD3 LYS B 61 -11.697 9.375 -15.538 1.00 1.13 H new ATOM 0 HE2 LYS B 61 -10.548 10.638 -13.657 1.00 1.87 H new ATOM 0 HE3 LYS B 61 -9.006 10.169 -14.344 1.00 1.87 H new ATOM 0 HZ1 LYS B 61 -9.655 12.373 -15.070 1.00 2.39 H new ATOM 0 HZ2 LYS B 61 -9.603 11.317 -16.399 1.00 2.39 H new ATOM 0 HZ3 LYS B 61 -11.098 11.771 -15.733 1.00 2.39 H new ATOM 2619 N SER B 62 -7.201 5.951 -11.855 1.00 0.46 N ATOM 2620 CA SER B 62 -5.873 5.351 -11.644 1.00 0.47 C ATOM 2621 C SER B 62 -5.993 3.969 -10.969 1.00 0.44 C ATOM 2622 O SER B 62 -5.192 3.072 -11.255 1.00 0.50 O ATOM 2623 CB SER B 62 -5.000 6.285 -10.788 1.00 0.54 C ATOM 2624 OG SER B 62 -4.830 7.545 -11.417 1.00 0.63 O ATOM 0 H SER B 62 -7.397 6.740 -11.239 1.00 0.46 H new ATOM 0 HA SER B 62 -5.401 5.215 -12.617 1.00 0.47 H new ATOM 0 HB2 SER B 62 -5.461 6.423 -9.810 1.00 0.54 H new ATOM 0 HB3 SER B 62 -4.026 5.825 -10.620 1.00 0.54 H new ATOM 0 HG SER B 62 -4.273 8.120 -10.852 1.00 0.63 H new ATOM 2630 N LEU B 63 -6.991 3.804 -10.064 1.00 0.41 N ATOM 2631 CA LEU B 63 -7.225 2.517 -9.380 1.00 0.44 C ATOM 2632 C LEU B 63 -7.899 1.525 -10.343 1.00 0.47 C ATOM 2633 O LEU B 63 -7.280 0.535 -10.733 1.00 0.57 O ATOM 2634 CB LEU B 63 -8.078 2.689 -8.096 1.00 0.45 C ATOM 2635 CG LEU B 63 -7.531 3.654 -7.021 1.00 0.42 C ATOM 2636 CD1 LEU B 63 -8.571 3.868 -5.918 1.00 0.47 C ATOM 2637 CD2 LEU B 63 -6.214 3.152 -6.418 1.00 0.69 C ATOM 0 H LEU B 63 -7.640 4.544 -9.796 1.00 0.41 H new ATOM 0 HA LEU B 63 -6.256 2.122 -9.074 1.00 0.44 H new ATOM 0 HB2 LEU B 63 -9.069 3.035 -8.390 1.00 0.45 H new ATOM 0 HB3 LEU B 63 -8.205 1.708 -7.639 1.00 0.45 H new ATOM 0 HG LEU B 63 -7.327 4.606 -7.511 1.00 0.42 H new ATOM 0 HD11 LEU B 63 -8.171 4.550 -5.168 1.00 0.47 H new ATOM 0 HD12 LEU B 63 -9.477 4.294 -6.350 1.00 0.47 H new ATOM 0 HD13 LEU B 63 -8.807 2.912 -5.450 1.00 0.47 H new ATOM 0 HD21 LEU B 63 -5.864 3.860 -5.667 1.00 0.69 H new ATOM 0 HD22 LEU B 63 -6.374 2.179 -5.953 1.00 0.69 H new ATOM 0 HD23 LEU B 63 -5.466 3.059 -7.205 1.00 0.69 H new ATOM 2649 N ASP B 64 -9.155 1.815 -10.755 1.00 0.47 N ATOM 2650 CA ASP B 64 -9.896 0.947 -11.685 1.00 0.55 C ATOM 2651 C ASP B 64 -9.451 1.250 -13.132 1.00 0.53 C ATOM 2652 O ASP B 64 -10.092 2.031 -13.849 1.00 0.60 O ATOM 2653 CB ASP B 64 -11.422 1.130 -11.496 1.00 0.66 C ATOM 2654 CG ASP B 64 -12.247 0.079 -12.227 1.00 0.85 C ATOM 2655 OD1 ASP B 64 -12.444 -1.021 -11.666 1.00 1.27 O ATOM 2656 OD2 ASP B 64 -12.697 0.356 -13.359 1.00 1.32 O ATOM 0 H ASP B 64 -9.671 2.642 -10.456 1.00 0.47 H new ATOM 0 HA ASP B 64 -9.672 -0.098 -11.473 1.00 0.55 H new ATOM 0 HB2 ASP B 64 -11.657 1.092 -10.432 1.00 0.66 H new ATOM 0 HB3 ASP B 64 -11.709 2.120 -11.851 1.00 0.66 H new ATOM 2661 N VAL B 65 -8.320 0.631 -13.534 1.00 0.53 N ATOM 2662 CA VAL B 65 -7.726 0.822 -14.874 1.00 0.56 C ATOM 2663 C VAL B 65 -8.088 -0.331 -15.844 1.00 0.56 C ATOM 2664 O VAL B 65 -8.175 -0.113 -17.055 1.00 0.61 O ATOM 2665 CB VAL B 65 -6.172 1.011 -14.768 1.00 0.64 C ATOM 2666 CG1 VAL B 65 -5.456 -0.253 -14.262 1.00 0.68 C ATOM 2667 CG2 VAL B 65 -5.575 1.491 -16.095 1.00 0.72 C ATOM 0 H VAL B 65 -7.795 -0.012 -12.941 1.00 0.53 H new ATOM 0 HA VAL B 65 -8.155 1.732 -15.295 1.00 0.56 H new ATOM 0 HB VAL B 65 -6.005 1.787 -14.021 1.00 0.64 H new ATOM 0 HG11 VAL B 65 -4.383 -0.067 -14.208 1.00 0.68 H new ATOM 0 HG12 VAL B 65 -5.830 -0.511 -13.271 1.00 0.68 H new ATOM 0 HG13 VAL B 65 -5.647 -1.078 -14.948 1.00 0.68 H new ATOM 0 HG21 VAL B 65 -4.497 1.612 -15.987 1.00 0.72 H new ATOM 0 HG22 VAL B 65 -5.781 0.757 -16.874 1.00 0.72 H new ATOM 0 HG23 VAL B 65 -6.021 2.447 -16.370 1.00 0.72 H new ATOM 2677 N ASN B 66 -8.294 -1.553 -15.303 1.00 0.56 N ATOM 2678 CA ASN B 66 -8.667 -2.733 -16.114 1.00 0.60 C ATOM 2679 C ASN B 66 -10.143 -2.673 -16.599 1.00 0.61 C ATOM 2680 O ASN B 66 -10.525 -3.444 -17.482 1.00 0.68 O ATOM 2681 CB ASN B 66 -8.408 -4.023 -15.301 1.00 0.65 C ATOM 2682 CG ASN B 66 -8.423 -5.298 -16.144 1.00 0.90 C ATOM 2683 OD1 ASN B 66 -7.402 -5.682 -16.714 1.00 1.38 O ATOM 2684 ND2 ASN B 66 -9.575 -5.969 -16.222 1.00 1.32 N ATOM 0 H ASN B 66 -8.208 -1.747 -14.305 1.00 0.56 H new ATOM 0 HA ASN B 66 -8.045 -2.735 -17.009 1.00 0.60 H new ATOM 0 HB2 ASN B 66 -7.442 -3.939 -14.803 1.00 0.65 H new ATOM 0 HB3 ASN B 66 -9.163 -4.106 -14.520 1.00 0.65 H new ATOM 0 HD21 ASN B 66 -9.628 -6.829 -16.767 1.00 1.32 H new ATOM 0 HD22 ASN B 66 -10.402 -5.621 -15.736 1.00 1.32 H new ATOM 2691 N GLN B 67 -10.965 -1.751 -16.024 1.00 0.59 N ATOM 2692 CA GLN B 67 -12.393 -1.578 -16.391 1.00 0.64 C ATOM 2693 C GLN B 67 -13.248 -2.807 -16.008 1.00 0.64 C ATOM 2694 O GLN B 67 -13.603 -3.625 -16.867 1.00 0.77 O ATOM 2695 CB GLN B 67 -12.576 -1.216 -17.897 1.00 0.75 C ATOM 2696 CG GLN B 67 -12.516 0.283 -18.203 1.00 0.96 C ATOM 2697 CD GLN B 67 -11.147 0.901 -17.934 1.00 1.28 C ATOM 2698 OE1 GLN B 67 -10.274 0.891 -18.801 1.00 2.02 O ATOM 2699 NE2 GLN B 67 -10.951 1.452 -16.733 1.00 1.87 N ATOM 0 H GLN B 67 -10.653 -1.110 -15.295 1.00 0.59 H new ATOM 0 HA GLN B 67 -12.755 -0.733 -15.806 1.00 0.64 H new ATOM 0 HB2 GLN B 67 -11.804 -1.723 -18.476 1.00 0.75 H new ATOM 0 HB3 GLN B 67 -13.536 -1.605 -18.237 1.00 0.75 H new ATOM 0 HG2 GLN B 67 -12.780 0.444 -19.248 1.00 0.96 H new ATOM 0 HG3 GLN B 67 -13.264 0.799 -17.602 1.00 0.96 H new ATOM 0 HE21 GLN B 67 -11.698 1.441 -16.039 1.00 1.87 H new ATOM 0 HE22 GLN B 67 -10.054 1.883 -16.510 1.00 1.87 H new ATOM 2708 N ASP B 68 -13.544 -2.938 -14.699 1.00 0.65 N ATOM 2709 CA ASP B 68 -14.388 -4.037 -14.174 1.00 0.72 C ATOM 2710 C ASP B 68 -15.170 -3.625 -12.894 1.00 0.79 C ATOM 2711 O ASP B 68 -15.785 -4.482 -12.248 1.00 1.30 O ATOM 2712 CB ASP B 68 -13.515 -5.287 -13.901 1.00 0.76 C ATOM 2713 CG ASP B 68 -14.281 -6.600 -14.035 1.00 0.97 C ATOM 2714 OD1 ASP B 68 -14.953 -7.002 -13.062 1.00 1.25 O ATOM 2715 OD2 ASP B 68 -14.210 -7.219 -15.119 1.00 1.16 O ATOM 0 H ASP B 68 -13.211 -2.295 -13.981 1.00 0.65 H new ATOM 0 HA ASP B 68 -15.132 -4.272 -14.935 1.00 0.72 H new ATOM 0 HB2 ASP B 68 -12.674 -5.293 -14.595 1.00 0.76 H new ATOM 0 HB3 ASP B 68 -13.099 -5.218 -12.896 1.00 0.76 H new ATOM 2720 N SER B 69 -15.169 -2.311 -12.543 1.00 0.66 N ATOM 2721 CA SER B 69 -15.866 -1.786 -11.347 1.00 0.71 C ATOM 2722 C SER B 69 -15.403 -2.464 -10.028 1.00 0.71 C ATOM 2723 O SER B 69 -16.187 -2.581 -9.076 1.00 1.26 O ATOM 2724 CB SER B 69 -17.392 -1.923 -11.524 1.00 0.86 C ATOM 2725 OG SER B 69 -18.089 -1.142 -10.567 1.00 1.35 O ATOM 0 H SER B 69 -14.686 -1.592 -13.082 1.00 0.66 H new ATOM 0 HA SER B 69 -15.602 -0.732 -11.259 1.00 0.71 H new ATOM 0 HB2 SER B 69 -17.674 -1.609 -12.529 1.00 0.86 H new ATOM 0 HB3 SER B 69 -17.680 -2.969 -11.424 1.00 0.86 H new ATOM 0 HG SER B 69 -17.714 -1.305 -9.676 1.00 1.35 H new ATOM 2731 N GLU B 70 -14.120 -2.881 -9.968 1.00 0.69 N ATOM 2732 CA GLU B 70 -13.555 -3.547 -8.781 1.00 0.75 C ATOM 2733 C GLU B 70 -12.183 -2.966 -8.428 1.00 0.62 C ATOM 2734 O GLU B 70 -11.353 -2.736 -9.314 1.00 0.78 O ATOM 2735 CB GLU B 70 -13.422 -5.062 -9.022 1.00 1.11 C ATOM 2736 CG GLU B 70 -14.747 -5.811 -9.147 1.00 1.39 C ATOM 2737 CD GLU B 70 -14.556 -7.297 -9.400 1.00 1.87 C ATOM 2738 OE1 GLU B 70 -13.974 -7.655 -10.446 1.00 2.40 O ATOM 2739 OE2 GLU B 70 -14.987 -8.102 -8.551 1.00 2.37 O ATOM 0 H GLU B 70 -13.456 -2.766 -10.733 1.00 0.69 H new ATOM 0 HA GLU B 70 -14.237 -3.373 -7.948 1.00 0.75 H new ATOM 0 HB2 GLU B 70 -12.844 -5.221 -9.932 1.00 1.11 H new ATOM 0 HB3 GLU B 70 -12.851 -5.497 -8.202 1.00 1.11 H new ATOM 0 HG2 GLU B 70 -15.326 -5.673 -8.234 1.00 1.39 H new ATOM 0 HG3 GLU B 70 -15.329 -5.379 -9.961 1.00 1.39 H new ATOM 2746 N LEU B 71 -11.948 -2.750 -7.121 1.00 0.54 N ATOM 2747 CA LEU B 71 -10.684 -2.207 -6.621 1.00 0.51 C ATOM 2748 C LEU B 71 -9.848 -3.322 -5.965 1.00 0.50 C ATOM 2749 O LEU B 71 -9.638 -3.319 -4.745 1.00 0.52 O ATOM 2750 CB LEU B 71 -10.940 -1.034 -5.635 1.00 0.58 C ATOM 2751 CG LEU B 71 -11.319 0.321 -6.284 1.00 0.78 C ATOM 2752 CD1 LEU B 71 -12.722 0.285 -6.892 1.00 1.13 C ATOM 2753 CD2 LEU B 71 -11.200 1.471 -5.276 1.00 0.92 C ATOM 0 H LEU B 71 -12.630 -2.948 -6.389 1.00 0.54 H new ATOM 0 HA LEU B 71 -10.116 -1.809 -7.462 1.00 0.51 H new ATOM 0 HB2 LEU B 71 -11.739 -1.325 -4.953 1.00 0.58 H new ATOM 0 HB3 LEU B 71 -10.044 -0.889 -5.032 1.00 0.58 H new ATOM 0 HG LEU B 71 -10.610 0.498 -7.093 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -12.951 1.253 -7.337 1.00 1.13 H new ATOM 0 HD12 LEU B 71 -12.766 -0.487 -7.660 1.00 1.13 H new ATOM 0 HD13 LEU B 71 -13.451 0.063 -6.112 1.00 1.13 H new ATOM 0 HD21 LEU B 71 -11.472 2.409 -5.760 1.00 0.92 H new ATOM 0 HD22 LEU B 71 -11.870 1.289 -4.435 1.00 0.92 H new ATOM 0 HD23 LEU B 71 -10.173 1.534 -4.915 1.00 0.92 H new ATOM 2765 N LYS B 72 -9.387 -4.292 -6.791 1.00 0.52 N ATOM 2766 CA LYS B 72 -8.534 -5.407 -6.312 1.00 0.54 C ATOM 2767 C LYS B 72 -7.230 -4.822 -5.750 1.00 0.48 C ATOM 2768 O LYS B 72 -6.900 -3.689 -6.081 1.00 0.46 O ATOM 2769 CB LYS B 72 -8.243 -6.399 -7.465 1.00 0.60 C ATOM 2770 CG LYS B 72 -7.811 -7.797 -7.011 1.00 0.78 C ATOM 2771 CD LYS B 72 -7.673 -8.770 -8.190 1.00 0.91 C ATOM 2772 CE LYS B 72 -7.291 -10.184 -7.748 1.00 1.29 C ATOM 2773 NZ LYS B 72 -8.410 -10.892 -7.056 1.00 1.81 N ATOM 0 H LYS B 72 -9.591 -4.325 -7.790 1.00 0.52 H new ATOM 0 HA LYS B 72 -9.051 -5.958 -5.527 1.00 0.54 H new ATOM 0 HB2 LYS B 72 -9.137 -6.492 -8.081 1.00 0.60 H new ATOM 0 HB3 LYS B 72 -7.462 -5.980 -8.099 1.00 0.60 H new ATOM 0 HG2 LYS B 72 -6.859 -7.729 -6.485 1.00 0.78 H new ATOM 0 HG3 LYS B 72 -8.540 -8.189 -6.302 1.00 0.78 H new ATOM 0 HD2 LYS B 72 -8.615 -8.807 -8.737 1.00 0.91 H new ATOM 0 HD3 LYS B 72 -6.918 -8.393 -8.880 1.00 0.91 H new ATOM 0 HE2 LYS B 72 -6.984 -10.762 -8.619 1.00 1.29 H new ATOM 0 HE3 LYS B 72 -6.431 -10.132 -7.080 1.00 1.29 H new ATOM 0 HZ1 LYS B 72 -8.099 -11.844 -6.778 1.00 1.81 H new ATOM 0 HZ2 LYS B 72 -8.688 -10.357 -6.209 1.00 1.81 H new ATOM 0 HZ3 LYS B 72 -9.223 -10.968 -7.700 1.00 1.81 H new ATOM 2787 N PHE B 73 -6.475 -5.570 -4.921 1.00 0.51 N ATOM 2788 CA PHE B 73 -5.226 -5.019 -4.333 1.00 0.49 C ATOM 2789 C PHE B 73 -4.169 -4.620 -5.396 1.00 0.46 C ATOM 2790 O PHE B 73 -3.305 -3.789 -5.105 1.00 0.46 O ATOM 2791 CB PHE B 73 -4.617 -5.943 -3.250 1.00 0.55 C ATOM 2792 CG PHE B 73 -4.268 -5.189 -1.976 1.00 0.69 C ATOM 2793 CD1 PHE B 73 -3.071 -4.489 -1.869 1.00 0.89 C ATOM 2794 CD2 PHE B 73 -5.156 -5.147 -0.903 1.00 0.90 C ATOM 2795 CE1 PHE B 73 -2.768 -3.773 -0.729 1.00 1.14 C ATOM 2796 CE2 PHE B 73 -4.850 -4.436 0.242 1.00 1.15 C ATOM 2797 CZ PHE B 73 -3.658 -3.748 0.329 1.00 1.23 C ATOM 0 H PHE B 73 -6.693 -6.528 -4.647 1.00 0.51 H new ATOM 0 HA PHE B 73 -5.530 -4.097 -3.838 1.00 0.49 H new ATOM 0 HB2 PHE B 73 -5.324 -6.739 -3.016 1.00 0.55 H new ATOM 0 HB3 PHE B 73 -3.720 -6.419 -3.645 1.00 0.55 H new ATOM 0 HD1 PHE B 73 -2.369 -4.506 -2.689 1.00 0.89 H new ATOM 0 HD2 PHE B 73 -6.095 -5.677 -0.967 1.00 0.90 H new ATOM 0 HE1 PHE B 73 -1.836 -3.232 -0.663 1.00 1.14 H new ATOM 0 HE2 PHE B 73 -5.545 -4.419 1.069 1.00 1.15 H new ATOM 0 HZ PHE B 73 -3.420 -3.190 1.223 1.00 1.23 H new ATOM 2807 N ASN B 74 -4.233 -5.203 -6.617 1.00 0.47 N ATOM 2808 CA ASN B 74 -3.306 -4.834 -7.711 1.00 0.50 C ATOM 2809 C ASN B 74 -3.726 -3.468 -8.311 1.00 0.48 C ATOM 2810 O ASN B 74 -2.874 -2.692 -8.751 1.00 0.54 O ATOM 2811 CB ASN B 74 -3.289 -5.929 -8.799 1.00 0.55 C ATOM 2812 CG ASN B 74 -2.308 -5.646 -9.939 1.00 0.63 C ATOM 2813 OD1 ASN B 74 -1.033 -5.994 -9.750 1.00 0.99 O flip ATOM 2814 ND2 ASN B 74 -2.694 -5.109 -10.979 1.00 0.93 N flip ATOM 0 H ASN B 74 -4.910 -5.924 -6.867 1.00 0.47 H new ATOM 0 HA ASN B 74 -2.297 -4.746 -7.309 1.00 0.50 H new ATOM 0 HB2 ASN B 74 -3.032 -6.883 -8.338 1.00 0.55 H new ATOM 0 HB3 ASN B 74 -4.292 -6.034 -9.212 1.00 0.55 H new ATOM 0 HD21 ASN B 74 -3.676 -4.857 -11.089 1.00 0.93 H new ATOM 0 HD22 ASN B 74 -2.031 -4.917 -11.730 1.00 0.93 H new ATOM 2821 N GLU B 75 -5.053 -3.198 -8.325 1.00 0.44 N ATOM 2822 CA GLU B 75 -5.613 -1.928 -8.828 1.00 0.47 C ATOM 2823 C GLU B 75 -5.632 -0.866 -7.699 1.00 0.41 C ATOM 2824 O GLU B 75 -5.345 0.307 -7.941 1.00 0.42 O ATOM 2825 CB GLU B 75 -7.034 -2.165 -9.387 1.00 0.54 C ATOM 2826 CG GLU B 75 -7.074 -2.670 -10.837 1.00 0.64 C ATOM 2827 CD GLU B 75 -6.737 -4.149 -10.979 1.00 0.76 C ATOM 2828 OE1 GLU B 75 -5.534 -4.482 -11.044 1.00 0.93 O ATOM 2829 OE2 GLU B 75 -7.678 -4.968 -11.032 1.00 0.91 O ATOM 0 H GLU B 75 -5.759 -3.853 -7.989 1.00 0.44 H new ATOM 0 HA GLU B 75 -4.983 -1.553 -9.635 1.00 0.47 H new ATOM 0 HB2 GLU B 75 -7.545 -2.887 -8.750 1.00 0.54 H new ATOM 0 HB3 GLU B 75 -7.595 -1.232 -9.325 1.00 0.54 H new ATOM 0 HG2 GLU B 75 -8.068 -2.492 -11.247 1.00 0.64 H new ATOM 0 HG3 GLU B 75 -6.373 -2.088 -11.435 1.00 0.64 H new ATOM 2836 N TYR B 76 -5.963 -1.311 -6.464 1.00 0.41 N ATOM 2837 CA TYR B 76 -5.983 -0.464 -5.245 1.00 0.39 C ATOM 2838 C TYR B 76 -4.542 -0.034 -4.860 1.00 0.36 C ATOM 2839 O TYR B 76 -4.356 0.906 -4.082 1.00 0.43 O ATOM 2840 CB TYR B 76 -6.643 -1.256 -4.091 1.00 0.43 C ATOM 2841 CG TYR B 76 -6.989 -0.455 -2.836 1.00 0.44 C ATOM 2842 CD1 TYR B 76 -8.018 0.483 -2.844 1.00 0.50 C ATOM 2843 CD2 TYR B 76 -6.303 -0.660 -1.639 1.00 0.52 C ATOM 2844 CE1 TYR B 76 -8.347 1.194 -1.708 1.00 0.58 C ATOM 2845 CE2 TYR B 76 -6.632 0.045 -0.497 1.00 0.59 C ATOM 2846 CZ TYR B 76 -7.654 0.970 -0.536 1.00 0.59 C ATOM 2847 OH TYR B 76 -7.985 1.670 0.606 1.00 0.71 O ATOM 0 H TYR B 76 -6.227 -2.279 -6.283 1.00 0.41 H new ATOM 0 HA TYR B 76 -6.561 0.440 -5.439 1.00 0.39 H new ATOM 0 HB2 TYR B 76 -7.557 -1.714 -4.468 1.00 0.43 H new ATOM 0 HB3 TYR B 76 -5.974 -2.068 -3.806 1.00 0.43 H new ATOM 0 HD1 TYR B 76 -8.569 0.657 -3.756 1.00 0.50 H new ATOM 0 HD2 TYR B 76 -5.501 -1.382 -1.604 1.00 0.52 H new ATOM 0 HE1 TYR B 76 -9.144 1.923 -1.736 1.00 0.58 H new ATOM 0 HE2 TYR B 76 -6.091 -0.128 0.422 1.00 0.59 H new ATOM 0 HH TYR B 76 -7.400 1.391 1.342 1.00 0.71 H new ATOM 2857 N TRP B 77 -3.538 -0.774 -5.401 1.00 0.39 N ATOM 2858 CA TRP B 77 -2.087 -0.529 -5.222 1.00 0.40 C ATOM 2859 C TRP B 77 -1.695 0.974 -5.304 1.00 0.35 C ATOM 2860 O TRP B 77 -0.821 1.421 -4.554 1.00 0.37 O ATOM 2861 CB TRP B 77 -1.355 -1.358 -6.315 1.00 0.58 C ATOM 2862 CG TRP B 77 0.150 -1.269 -6.389 1.00 0.48 C ATOM 2863 CD1 TRP B 77 1.031 -0.958 -5.390 1.00 0.56 C ATOM 2864 CD2 TRP B 77 0.951 -1.529 -7.557 1.00 0.74 C ATOM 2865 NE1 TRP B 77 2.318 -0.990 -5.869 1.00 0.79 N ATOM 2866 CE2 TRP B 77 2.291 -1.343 -7.198 1.00 0.94 C ATOM 2867 CE3 TRP B 77 0.654 -1.899 -8.880 1.00 0.98 C ATOM 2868 CZ2 TRP B 77 3.337 -1.513 -8.104 1.00 1.34 C ATOM 2869 CZ3 TRP B 77 1.695 -2.067 -9.776 1.00 1.37 C ATOM 2870 CH2 TRP B 77 3.019 -1.874 -9.383 1.00 1.54 C ATOM 0 H TRP B 77 -3.726 -1.583 -5.993 1.00 0.39 H new ATOM 0 HA TRP B 77 -1.794 -0.836 -4.218 1.00 0.40 H new ATOM 0 HB2 TRP B 77 -1.620 -2.406 -6.172 1.00 0.58 H new ATOM 0 HB3 TRP B 77 -1.754 -1.058 -7.284 1.00 0.58 H new ATOM 0 HD1 TRP B 77 0.755 -0.722 -4.373 1.00 0.56 H new ATOM 0 HE1 TRP B 77 3.157 -0.785 -5.327 1.00 0.79 H new ATOM 0 HE3 TRP B 77 -0.369 -2.050 -9.192 1.00 0.98 H new ATOM 0 HZ2 TRP B 77 4.364 -1.364 -7.805 1.00 1.34 H new ATOM 0 HZ3 TRP B 77 1.479 -2.352 -10.795 1.00 1.37 H new ATOM 0 HH2 TRP B 77 3.810 -2.013 -10.105 1.00 1.54 H new ATOM 2881 N ARG B 78 -2.344 1.747 -6.208 1.00 0.37 N ATOM 2882 CA ARG B 78 -2.042 3.193 -6.382 1.00 0.41 C ATOM 2883 C ARG B 78 -2.448 4.035 -5.150 1.00 0.38 C ATOM 2884 O ARG B 78 -1.803 5.051 -4.873 1.00 0.45 O ATOM 2885 CB ARG B 78 -2.716 3.757 -7.656 1.00 0.49 C ATOM 2886 CG ARG B 78 -2.201 3.160 -8.973 1.00 0.68 C ATOM 2887 CD ARG B 78 -0.872 3.772 -9.430 1.00 0.88 C ATOM 2888 NE ARG B 78 -1.071 4.968 -10.270 1.00 1.17 N ATOM 2889 CZ ARG B 78 -1.190 4.974 -11.622 1.00 1.72 C ATOM 2890 NH1 ARG B 78 -1.142 3.838 -12.339 1.00 2.14 N ATOM 2891 NH2 ARG B 78 -1.363 6.134 -12.258 1.00 2.15 N ATOM 0 H ARG B 78 -3.077 1.398 -6.826 1.00 0.37 H new ATOM 0 HA ARG B 78 -0.960 3.269 -6.491 1.00 0.41 H new ATOM 0 HB2 ARG B 78 -3.790 3.583 -7.590 1.00 0.49 H new ATOM 0 HB3 ARG B 78 -2.569 4.837 -7.680 1.00 0.49 H new ATOM 0 HG2 ARG B 78 -2.077 2.084 -8.853 1.00 0.68 H new ATOM 0 HG3 ARG B 78 -2.950 3.310 -9.751 1.00 0.68 H new ATOM 0 HD2 ARG B 78 -0.277 4.038 -8.557 1.00 0.88 H new ATOM 0 HD3 ARG B 78 -0.304 3.028 -9.988 1.00 0.88 H new ATOM 0 HE ARG B 78 -1.124 5.868 -9.794 1.00 1.17 H new ATOM 0 HH11 ARG B 78 -1.013 2.943 -11.868 1.00 2.14 H new ATOM 0 HH12 ARG B 78 -1.234 3.871 -13.354 1.00 2.14 H new ATOM 0 HH21 ARG B 78 -1.405 7.005 -11.728 1.00 2.15 H new ATOM 0 HH22 ARG B 78 -1.454 6.150 -13.274 1.00 2.15 H new ATOM 2905 N LEU B 79 -3.511 3.623 -4.415 1.00 0.33 N ATOM 2906 CA LEU B 79 -3.959 4.351 -3.202 1.00 0.34 C ATOM 2907 C LEU B 79 -3.030 4.039 -2.009 1.00 0.32 C ATOM 2908 O LEU B 79 -2.863 4.883 -1.125 1.00 0.36 O ATOM 2909 CB LEU B 79 -5.429 4.014 -2.837 1.00 0.36 C ATOM 2910 CG LEU B 79 -6.165 5.069 -1.965 1.00 0.41 C ATOM 2911 CD1 LEU B 79 -6.516 6.315 -2.784 1.00 0.49 C ATOM 2912 CD2 LEU B 79 -7.423 4.473 -1.322 1.00 0.48 C ATOM 0 H LEU B 79 -4.069 2.799 -4.638 1.00 0.33 H new ATOM 0 HA LEU B 79 -3.908 5.417 -3.425 1.00 0.34 H new ATOM 0 HB2 LEU B 79 -5.991 3.877 -3.761 1.00 0.36 H new ATOM 0 HB3 LEU B 79 -5.444 3.060 -2.310 1.00 0.36 H new ATOM 0 HG LEU B 79 -5.486 5.369 -1.167 1.00 0.41 H new ATOM 0 HD11 LEU B 79 -7.030 7.036 -2.148 1.00 0.49 H new ATOM 0 HD12 LEU B 79 -5.602 6.763 -3.175 1.00 0.49 H new ATOM 0 HD13 LEU B 79 -7.166 6.034 -3.613 1.00 0.49 H new ATOM 0 HD21 LEU B 79 -7.918 5.233 -0.718 1.00 0.48 H new ATOM 0 HD22 LEU B 79 -8.103 4.130 -2.102 1.00 0.48 H new ATOM 0 HD23 LEU B 79 -7.144 3.631 -0.689 1.00 0.48 H new ATOM 2924 N ILE B 80 -2.434 2.818 -1.998 1.00 0.34 N ATOM 2925 CA ILE B 80 -1.489 2.386 -0.939 1.00 0.37 C ATOM 2926 C ILE B 80 -0.245 3.302 -0.927 1.00 0.36 C ATOM 2927 O ILE B 80 0.253 3.656 0.147 1.00 0.39 O ATOM 2928 CB ILE B 80 -1.058 0.884 -1.129 1.00 0.44 C ATOM 2929 CG1 ILE B 80 -2.289 -0.068 -1.109 1.00 0.47 C ATOM 2930 CG2 ILE B 80 -0.009 0.440 -0.094 1.00 0.54 C ATOM 2931 CD1 ILE B 80 -3.062 -0.120 0.206 1.00 0.56 C ATOM 0 H ILE B 80 -2.594 2.112 -2.717 1.00 0.34 H new ATOM 0 HA ILE B 80 -2.002 2.467 0.020 1.00 0.37 H new ATOM 0 HB ILE B 80 -0.591 0.818 -2.112 1.00 0.44 H new ATOM 0 HG12 ILE B 80 -2.974 0.236 -1.900 1.00 0.47 H new ATOM 0 HG13 ILE B 80 -1.950 -1.076 -1.351 1.00 0.47 H new ATOM 0 HG21 ILE B 80 0.255 -0.603 -0.268 1.00 0.54 H new ATOM 0 HG22 ILE B 80 0.882 1.061 -0.190 1.00 0.54 H new ATOM 0 HG23 ILE B 80 -0.420 0.548 0.910 1.00 0.54 H new ATOM 0 HD11 ILE B 80 -3.898 -0.813 0.109 1.00 0.56 H new ATOM 0 HD12 ILE B 80 -2.401 -0.458 1.004 1.00 0.56 H new ATOM 0 HD13 ILE B 80 -3.440 0.874 0.445 1.00 0.56 H new ATOM 2943 N GLY B 81 0.251 3.667 -2.133 1.00 0.36 N ATOM 2944 CA GLY B 81 1.393 4.574 -2.253 1.00 0.39 C ATOM 2945 C GLY B 81 1.034 5.999 -1.830 1.00 0.37 C ATOM 2946 O GLY B 81 1.883 6.725 -1.305 1.00 0.42 O ATOM 0 H GLY B 81 -0.126 3.344 -3.024 1.00 0.36 H new ATOM 0 HA2 GLY B 81 2.214 4.208 -1.637 1.00 0.39 H new ATOM 0 HA3 GLY B 81 1.746 4.579 -3.284 1.00 0.39 H new ATOM 2950 N GLU B 82 -0.236 6.397 -2.073 1.00 0.34 N ATOM 2951 CA GLU B 82 -0.749 7.724 -1.684 1.00 0.36 C ATOM 2952 C GLU B 82 -1.213 7.748 -0.205 1.00 0.33 C ATOM 2953 O GLU B 82 -1.544 8.812 0.319 1.00 0.40 O ATOM 2954 CB GLU B 82 -1.916 8.139 -2.609 1.00 0.41 C ATOM 2955 CG GLU B 82 -1.502 8.453 -4.050 1.00 0.49 C ATOM 2956 CD GLU B 82 -0.837 9.814 -4.196 1.00 0.61 C ATOM 2957 OE1 GLU B 82 0.399 9.895 -4.024 1.00 0.79 O ATOM 2958 OE2 GLU B 82 -1.557 10.797 -4.473 1.00 0.91 O ATOM 0 H GLU B 82 -0.927 5.810 -2.541 1.00 0.34 H new ATOM 0 HA GLU B 82 0.069 8.437 -1.790 1.00 0.36 H new ATOM 0 HB2 GLU B 82 -2.655 7.338 -2.623 1.00 0.41 H new ATOM 0 HB3 GLU B 82 -2.405 9.016 -2.185 1.00 0.41 H new ATOM 0 HG2 GLU B 82 -0.818 7.681 -4.402 1.00 0.49 H new ATOM 0 HG3 GLU B 82 -2.382 8.415 -4.691 1.00 0.49 H new ATOM 2965 N LEU B 83 -1.239 6.568 0.463 1.00 0.33 N ATOM 2966 CA LEU B 83 -1.645 6.455 1.877 1.00 0.35 C ATOM 2967 C LEU B 83 -0.492 6.873 2.815 1.00 0.37 C ATOM 2968 O LEU B 83 -0.681 7.718 3.692 1.00 0.45 O ATOM 2969 CB LEU B 83 -2.109 5.002 2.198 1.00 0.42 C ATOM 2970 CG LEU B 83 -3.576 4.841 2.670 1.00 0.51 C ATOM 2971 CD1 LEU B 83 -4.563 5.068 1.523 1.00 0.69 C ATOM 2972 CD2 LEU B 83 -3.794 3.462 3.303 1.00 0.63 C ATOM 0 H LEU B 83 -0.981 5.678 0.037 1.00 0.33 H new ATOM 0 HA LEU B 83 -2.483 7.132 2.045 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.967 4.392 1.306 1.00 0.42 H new ATOM 0 HB3 LEU B 83 -1.454 4.596 2.969 1.00 0.42 H new ATOM 0 HG LEU B 83 -3.764 5.604 3.426 1.00 0.51 H new ATOM 0 HD11 LEU B 83 -5.582 4.947 1.891 1.00 0.69 H new ATOM 0 HD12 LEU B 83 -4.437 6.076 1.129 1.00 0.69 H new ATOM 0 HD13 LEU B 83 -4.374 4.343 0.732 1.00 0.69 H new ATOM 0 HD21 LEU B 83 -4.831 3.370 3.627 1.00 0.63 H new ATOM 0 HD22 LEU B 83 -3.573 2.686 2.570 1.00 0.63 H new ATOM 0 HD23 LEU B 83 -3.133 3.348 4.162 1.00 0.63 H new ATOM 2984 N ALA B 84 0.702 6.280 2.610 1.00 0.38 N ATOM 2985 CA ALA B 84 1.892 6.578 3.434 1.00 0.44 C ATOM 2986 C ALA B 84 2.591 7.887 3.020 1.00 0.45 C ATOM 2987 O ALA B 84 3.248 8.515 3.853 1.00 0.55 O ATOM 2988 CB ALA B 84 2.870 5.414 3.391 1.00 0.55 C ATOM 0 H ALA B 84 0.868 5.589 1.878 1.00 0.38 H new ATOM 0 HA ALA B 84 1.543 6.718 4.457 1.00 0.44 H new ATOM 0 HB1 ALA B 84 3.741 5.648 4.003 1.00 0.55 H new ATOM 0 HB2 ALA B 84 2.386 4.517 3.778 1.00 0.55 H new ATOM 0 HB3 ALA B 84 3.185 5.241 2.362 1.00 0.55 H new ATOM 2994 N LYS B 85 2.470 8.292 1.736 1.00 0.41 N ATOM 2995 CA LYS B 85 3.087 9.546 1.252 1.00 0.45 C ATOM 2996 C LYS B 85 2.400 10.776 1.888 1.00 0.47 C ATOM 2997 O LYS B 85 3.076 11.735 2.263 1.00 0.57 O ATOM 2998 CB LYS B 85 3.034 9.635 -0.291 1.00 0.49 C ATOM 2999 CG LYS B 85 3.938 10.725 -0.890 1.00 0.57 C ATOM 3000 CD LYS B 85 3.799 10.863 -2.413 1.00 0.66 C ATOM 3001 CE LYS B 85 4.468 9.721 -3.197 1.00 0.79 C ATOM 3002 NZ LYS B 85 3.535 8.585 -3.478 1.00 1.10 N ATOM 0 H LYS B 85 1.956 7.774 1.023 1.00 0.41 H new ATOM 0 HA LYS B 85 4.134 9.540 1.555 1.00 0.45 H new ATOM 0 HB2 LYS B 85 3.321 8.670 -0.710 1.00 0.49 H new ATOM 0 HB3 LYS B 85 2.005 9.823 -0.598 1.00 0.49 H new ATOM 0 HG2 LYS B 85 3.701 11.681 -0.423 1.00 0.57 H new ATOM 0 HG3 LYS B 85 4.976 10.500 -0.646 1.00 0.57 H new ATOM 0 HD2 LYS B 85 2.741 10.899 -2.671 1.00 0.66 H new ATOM 0 HD3 LYS B 85 4.236 11.812 -2.725 1.00 0.66 H new ATOM 0 HE2 LYS B 85 4.853 10.110 -4.139 1.00 0.79 H new ATOM 0 HE3 LYS B 85 5.323 9.351 -2.632 1.00 0.79 H new ATOM 0 HZ1 LYS B 85 3.810 8.121 -4.367 1.00 1.10 H new ATOM 0 HZ2 LYS B 85 3.582 7.897 -2.700 1.00 1.10 H new ATOM 0 HZ3 LYS B 85 2.564 8.946 -3.563 1.00 1.10 H new ATOM 3016 N GLU B 86 1.057 10.731 2.017 1.00 0.42 N ATOM 3017 CA GLU B 86 0.289 11.846 2.612 1.00 0.46 C ATOM 3018 C GLU B 86 0.428 11.906 4.151 1.00 0.50 C ATOM 3019 O GLU B 86 0.192 12.966 4.740 1.00 0.81 O ATOM 3020 CB GLU B 86 -1.203 11.764 2.222 1.00 0.52 C ATOM 3021 CG GLU B 86 -1.479 11.851 0.717 1.00 0.59 C ATOM 3022 CD GLU B 86 -1.218 13.227 0.123 1.00 1.01 C ATOM 3023 OE1 GLU B 86 -2.098 14.104 0.242 1.00 1.48 O ATOM 3024 OE2 GLU B 86 -0.130 13.425 -0.460 1.00 1.68 O ATOM 0 H GLU B 86 0.485 9.941 1.719 1.00 0.42 H new ATOM 0 HA GLU B 86 0.715 12.763 2.206 1.00 0.46 H new ATOM 0 HB2 GLU B 86 -1.612 10.826 2.599 1.00 0.52 H new ATOM 0 HB3 GLU B 86 -1.740 12.570 2.723 1.00 0.52 H new ATOM 0 HG2 GLU B 86 -0.858 11.119 0.200 1.00 0.59 H new ATOM 0 HG3 GLU B 86 -2.517 11.576 0.531 1.00 0.59 H new ATOM 3031 N ILE B 87 0.816 10.785 4.811 1.00 0.48 N ATOM 3032 CA ILE B 87 0.970 10.766 6.287 1.00 0.51 C ATOM 3033 C ILE B 87 2.165 11.637 6.743 1.00 0.53 C ATOM 3034 O ILE B 87 2.064 12.330 7.759 1.00 0.58 O ATOM 3035 CB ILE B 87 1.067 9.290 6.863 1.00 0.56 C ATOM 3036 CG1 ILE B 87 0.275 9.134 8.196 1.00 0.61 C ATOM 3037 CG2 ILE B 87 2.512 8.787 7.033 1.00 0.62 C ATOM 3038 CD1 ILE B 87 0.751 9.984 9.365 1.00 0.63 C ATOM 0 H ILE B 87 1.025 9.898 4.354 1.00 0.48 H new ATOM 0 HA ILE B 87 0.064 11.206 6.705 1.00 0.51 H new ATOM 0 HB ILE B 87 0.603 8.658 6.106 1.00 0.56 H new ATOM 0 HG12 ILE B 87 -0.771 9.373 8.003 1.00 0.61 H new ATOM 0 HG13 ILE B 87 0.313 8.087 8.496 1.00 0.61 H new ATOM 0 HG21 ILE B 87 2.500 7.772 7.431 1.00 0.62 H new ATOM 0 HG22 ILE B 87 3.015 8.792 6.066 1.00 0.62 H new ATOM 0 HG23 ILE B 87 3.046 9.440 7.723 1.00 0.62 H new ATOM 0 HD11 ILE B 87 0.124 9.790 10.235 1.00 0.63 H new ATOM 0 HD12 ILE B 87 1.785 9.733 9.600 1.00 0.63 H new ATOM 0 HD13 ILE B 87 0.685 11.039 9.099 1.00 0.63 H new ATOM 3050 N ARG B 88 3.287 11.610 5.980 1.00 0.57 N ATOM 3051 CA ARG B 88 4.482 12.398 6.324 1.00 0.67 C ATOM 3052 C ARG B 88 4.801 13.511 5.286 1.00 0.67 C ATOM 3053 O ARG B 88 5.828 14.178 5.421 1.00 0.84 O ATOM 3054 CB ARG B 88 5.694 11.453 6.593 1.00 0.75 C ATOM 3055 CG ARG B 88 6.609 11.115 5.407 1.00 0.82 C ATOM 3056 CD ARG B 88 5.914 10.331 4.299 1.00 1.05 C ATOM 3057 NE ARG B 88 6.887 9.845 3.304 1.00 1.17 N ATOM 3058 CZ ARG B 88 7.573 8.678 3.373 1.00 1.26 C ATOM 3059 NH1 ARG B 88 7.336 7.784 4.345 1.00 1.64 N ATOM 3060 NH2 ARG B 88 8.499 8.404 2.452 1.00 1.55 N ATOM 0 H ARG B 88 3.382 11.053 5.130 1.00 0.57 H new ATOM 0 HA ARG B 88 4.266 12.936 7.247 1.00 0.67 H new ATOM 0 HB2 ARG B 88 6.307 11.906 7.372 1.00 0.75 H new ATOM 0 HB3 ARG B 88 5.307 10.517 6.996 1.00 0.75 H new ATOM 0 HG2 ARG B 88 7.006 12.041 4.991 1.00 0.82 H new ATOM 0 HG3 ARG B 88 7.460 10.538 5.769 1.00 0.82 H new ATOM 0 HD2 ARG B 88 5.376 9.486 4.729 1.00 1.05 H new ATOM 0 HD3 ARG B 88 5.174 10.964 3.810 1.00 1.05 H new ATOM 0 HE ARG B 88 7.059 10.439 2.493 1.00 1.17 H new ATOM 0 HH11 ARG B 88 6.627 7.976 5.053 1.00 1.64 H new ATOM 0 HH12 ARG B 88 7.865 6.912 4.376 1.00 1.64 H new ATOM 0 HH21 ARG B 88 8.686 9.071 1.703 1.00 1.55 H new ATOM 0 HH22 ARG B 88 9.020 7.528 2.497 1.00 1.55 H new ATOM 3074 N LYS B 89 3.940 13.707 4.249 1.00 0.60 N ATOM 3075 CA LYS B 89 4.145 14.789 3.251 1.00 0.67 C ATOM 3076 C LYS B 89 2.903 15.002 2.345 1.00 0.63 C ATOM 3077 O LYS B 89 2.938 14.729 1.140 1.00 0.76 O ATOM 3078 CB LYS B 89 5.440 14.597 2.401 1.00 0.76 C ATOM 3079 CG LYS B 89 5.537 13.284 1.611 1.00 0.78 C ATOM 3080 CD LYS B 89 6.764 13.246 0.684 1.00 1.06 C ATOM 3081 CE LYS B 89 6.548 14.025 -0.623 1.00 1.32 C ATOM 3082 NZ LYS B 89 7.830 14.294 -1.350 1.00 1.65 N ATOM 0 H LYS B 89 3.110 13.138 4.086 1.00 0.60 H new ATOM 0 HA LYS B 89 4.283 15.700 3.834 1.00 0.67 H new ATOM 0 HB2 LYS B 89 5.516 15.427 1.699 1.00 0.76 H new ATOM 0 HB3 LYS B 89 6.301 14.662 3.066 1.00 0.76 H new ATOM 0 HG2 LYS B 89 5.585 12.447 2.307 1.00 0.78 H new ATOM 0 HG3 LYS B 89 4.632 13.153 1.017 1.00 0.78 H new ATOM 0 HD2 LYS B 89 7.624 13.660 1.210 1.00 1.06 H new ATOM 0 HD3 LYS B 89 7.003 12.209 0.448 1.00 1.06 H new ATOM 0 HE2 LYS B 89 5.878 13.461 -1.272 1.00 1.32 H new ATOM 0 HE3 LYS B 89 6.055 14.971 -0.401 1.00 1.32 H new ATOM 0 HZ1 LYS B 89 7.644 14.353 -2.371 1.00 1.65 H new ATOM 0 HZ2 LYS B 89 8.235 15.193 -1.019 1.00 1.65 H new ATOM 0 HZ3 LYS B 89 8.503 13.523 -1.165 1.00 1.65 H new ATOM 3096 N LYS B 90 1.797 15.491 2.945 1.00 0.58 N ATOM 3097 CA LYS B 90 0.553 15.792 2.191 1.00 0.56 C ATOM 3098 C LYS B 90 0.632 17.201 1.570 1.00 0.54 C ATOM 3099 O LYS B 90 0.166 17.419 0.448 1.00 0.58 O ATOM 3100 CB LYS B 90 -0.708 15.645 3.082 1.00 0.59 C ATOM 3101 CG LYS B 90 -0.769 16.559 4.321 1.00 0.66 C ATOM 3102 CD LYS B 90 -1.664 15.985 5.429 1.00 0.96 C ATOM 3103 CE LYS B 90 -3.153 15.968 5.052 1.00 1.48 C ATOM 3104 NZ LYS B 90 -3.798 17.304 5.208 1.00 2.03 N ATOM 0 H LYS B 90 1.736 15.686 3.944 1.00 0.58 H new ATOM 0 HA LYS B 90 0.463 15.062 1.387 1.00 0.56 H new ATOM 0 HB2 LYS B 90 -1.587 15.839 2.468 1.00 0.59 H new ATOM 0 HB3 LYS B 90 -0.775 14.609 3.415 1.00 0.59 H new ATOM 0 HG2 LYS B 90 0.238 16.705 4.711 1.00 0.66 H new ATOM 0 HG3 LYS B 90 -1.143 17.540 4.027 1.00 0.66 H new ATOM 0 HD2 LYS B 90 -1.342 14.969 5.659 1.00 0.96 H new ATOM 0 HD3 LYS B 90 -1.532 16.574 6.336 1.00 0.96 H new ATOM 0 HE2 LYS B 90 -3.259 15.635 4.019 1.00 1.48 H new ATOM 0 HE3 LYS B 90 -3.674 15.242 5.676 1.00 1.48 H new ATOM 0 HZ1 LYS B 90 -4.801 17.239 4.941 1.00 2.03 H new ATOM 0 HZ2 LYS B 90 -3.723 17.612 6.198 1.00 2.03 H new ATOM 0 HZ3 LYS B 90 -3.321 17.994 4.593 1.00 2.03 H new ATOM 3118 N LYS B 91 1.227 18.144 2.325 1.00 0.55 N ATOM 3119 CA LYS B 91 1.438 19.529 1.888 1.00 0.59 C ATOM 3120 C LYS B 91 2.868 19.951 2.278 1.00 0.62 C ATOM 3121 O LYS B 91 3.073 20.613 3.302 1.00 0.69 O ATOM 3122 CB LYS B 91 0.383 20.472 2.521 1.00 0.64 C ATOM 3123 CG LYS B 91 -0.931 20.559 1.743 1.00 0.74 C ATOM 3124 CD LYS B 91 -1.938 21.491 2.431 1.00 0.84 C ATOM 3125 CE LYS B 91 -3.207 21.704 1.601 1.00 1.14 C ATOM 3126 NZ LYS B 91 -2.966 22.513 0.369 1.00 1.36 N ATOM 0 H LYS B 91 1.577 17.959 3.265 1.00 0.55 H new ATOM 0 HA LYS B 91 1.321 19.598 0.806 1.00 0.59 H new ATOM 0 HB2 LYS B 91 0.170 20.131 3.534 1.00 0.64 H new ATOM 0 HB3 LYS B 91 0.810 21.472 2.604 1.00 0.64 H new ATOM 0 HG2 LYS B 91 -0.733 20.919 0.733 1.00 0.74 H new ATOM 0 HG3 LYS B 91 -1.364 19.563 1.647 1.00 0.74 H new ATOM 0 HD2 LYS B 91 -2.209 21.074 3.401 1.00 0.84 H new ATOM 0 HD3 LYS B 91 -1.465 22.455 2.619 1.00 0.84 H new ATOM 0 HE2 LYS B 91 -3.617 20.735 1.319 1.00 1.14 H new ATOM 0 HE3 LYS B 91 -3.958 22.201 2.215 1.00 1.14 H new ATOM 0 HZ1 LYS B 91 -3.872 22.697 -0.108 1.00 1.36 H new ATOM 0 HZ2 LYS B 91 -2.522 23.417 0.629 1.00 1.36 H new ATOM 0 HZ3 LYS B 91 -2.337 21.989 -0.272 1.00 1.36 H new ATOM 3140 N ASP B 92 3.864 19.541 1.460 1.00 0.66 N ATOM 3141 CA ASP B 92 5.292 19.842 1.722 1.00 0.74 C ATOM 3142 C ASP B 92 5.705 21.227 1.170 1.00 0.92 C ATOM 3143 O ASP B 92 6.619 21.342 0.341 1.00 1.72 O ATOM 3144 CB ASP B 92 6.200 18.703 1.177 1.00 0.75 C ATOM 3145 CG ASP B 92 6.098 18.474 -0.334 1.00 0.88 C ATOM 3146 OD1 ASP B 92 4.962 18.347 -0.848 1.00 0.93 O ATOM 3147 OD2 ASP B 92 7.156 18.411 -0.998 1.00 1.15 O ATOM 0 H ASP B 92 3.705 18.999 0.610 1.00 0.66 H new ATOM 0 HA ASP B 92 5.429 19.891 2.802 1.00 0.74 H new ATOM 0 HB2 ASP B 92 7.236 18.931 1.428 1.00 0.75 H new ATOM 0 HB3 ASP B 92 5.945 17.776 1.690 1.00 0.75 H new ATOM 3152 N LEU B 93 5.025 22.278 1.663 1.00 0.63 N ATOM 3153 CA LEU B 93 5.279 23.674 1.252 1.00 0.66 C ATOM 3154 C LEU B 93 4.478 24.643 2.146 1.00 0.69 C ATOM 3155 O LEU B 93 5.038 25.608 2.673 1.00 0.82 O ATOM 3156 CB LEU B 93 4.922 23.893 -0.241 1.00 0.71 C ATOM 3157 CG LEU B 93 5.543 25.146 -0.902 1.00 0.97 C ATOM 3158 CD1 LEU B 93 7.028 24.934 -1.219 1.00 1.27 C ATOM 3159 CD2 LEU B 93 4.773 25.528 -2.166 1.00 1.18 C ATOM 0 H LEU B 93 4.284 22.185 2.357 1.00 0.63 H new ATOM 0 HA LEU B 93 6.343 23.877 1.373 1.00 0.66 H new ATOM 0 HB2 LEU B 93 5.237 23.014 -0.804 1.00 0.71 H new ATOM 0 HB3 LEU B 93 3.838 23.957 -0.331 1.00 0.71 H new ATOM 0 HG LEU B 93 5.469 25.967 -0.189 1.00 0.97 H new ATOM 0 HD11 LEU B 93 7.433 25.833 -1.683 1.00 1.27 H new ATOM 0 HD12 LEU B 93 7.571 24.725 -0.297 1.00 1.27 H new ATOM 0 HD13 LEU B 93 7.137 24.093 -1.903 1.00 1.27 H new ATOM 0 HD21 LEU B 93 5.226 26.412 -2.615 1.00 1.18 H new ATOM 0 HD22 LEU B 93 4.807 24.702 -2.876 1.00 1.18 H new ATOM 0 HD23 LEU B 93 3.736 25.743 -1.909 1.00 1.18 H new ATOM 3171 N LYS B 94 3.159 24.370 2.308 1.00 0.66 N ATOM 3172 CA LYS B 94 2.276 25.195 3.157 1.00 0.74 C ATOM 3173 C LYS B 94 2.509 24.876 4.651 1.00 0.70 C ATOM 3174 O LYS B 94 2.615 25.793 5.472 1.00 0.79 O ATOM 3175 CB LYS B 94 0.786 24.970 2.786 1.00 0.84 C ATOM 3176 CG LYS B 94 -0.170 26.060 3.296 1.00 1.00 C ATOM 3177 CD LYS B 94 -0.057 27.366 2.491 1.00 1.15 C ATOM 3178 CE LYS B 94 -0.406 28.607 3.314 1.00 1.45 C ATOM 3179 NZ LYS B 94 0.552 28.842 4.439 1.00 1.61 N ATOM 0 H LYS B 94 2.688 23.584 1.860 1.00 0.66 H new ATOM 0 HA LYS B 94 2.519 26.243 2.981 1.00 0.74 H new ATOM 0 HB2 LYS B 94 0.700 24.908 1.701 1.00 0.84 H new ATOM 0 HB3 LYS B 94 0.466 24.008 3.186 1.00 0.84 H new ATOM 0 HG2 LYS B 94 -1.195 25.693 3.245 1.00 1.00 H new ATOM 0 HG3 LYS B 94 0.043 26.264 4.345 1.00 1.00 H new ATOM 0 HD2 LYS B 94 0.959 27.464 2.109 1.00 1.15 H new ATOM 0 HD3 LYS B 94 -0.719 27.312 1.627 1.00 1.15 H new ATOM 0 HE2 LYS B 94 -0.415 29.480 2.661 1.00 1.45 H new ATOM 0 HE3 LYS B 94 -1.413 28.500 3.716 1.00 1.45 H new ATOM 0 HZ1 LYS B 94 0.479 29.829 4.757 1.00 1.61 H new ATOM 0 HZ2 LYS B 94 0.322 28.206 5.229 1.00 1.61 H new ATOM 0 HZ3 LYS B 94 1.522 28.654 4.114 1.00 1.61 H new ATOM 3193 N ILE B 95 2.577 23.567 4.987 1.00 0.65 N ATOM 3194 CA ILE B 95 2.814 23.105 6.369 1.00 0.66 C ATOM 3195 C ILE B 95 3.888 21.999 6.387 1.00 0.68 C ATOM 3196 O ILE B 95 3.638 20.873 5.944 1.00 0.78 O ATOM 3197 CB ILE B 95 1.499 22.603 7.073 1.00 0.74 C ATOM 3198 CG1 ILE B 95 0.716 21.556 6.216 1.00 0.83 C ATOM 3199 CG2 ILE B 95 0.598 23.788 7.439 1.00 0.84 C ATOM 3200 CD1 ILE B 95 0.782 20.132 6.747 1.00 1.04 C ATOM 0 H ILE B 95 2.470 22.810 4.312 1.00 0.65 H new ATOM 0 HA ILE B 95 3.170 23.965 6.936 1.00 0.66 H new ATOM 0 HB ILE B 95 1.805 22.093 7.987 1.00 0.74 H new ATOM 0 HG12 ILE B 95 -0.329 21.861 6.158 1.00 0.83 H new ATOM 0 HG13 ILE B 95 1.109 21.570 5.199 1.00 0.83 H new ATOM 0 HG21 ILE B 95 -0.306 23.421 7.925 1.00 0.84 H new ATOM 0 HG22 ILE B 95 1.130 24.454 8.118 1.00 0.84 H new ATOM 0 HG23 ILE B 95 0.328 24.333 6.534 1.00 0.84 H new ATOM 0 HD11 ILE B 95 0.212 19.473 6.092 1.00 1.04 H new ATOM 0 HD12 ILE B 95 1.821 19.803 6.778 1.00 1.04 H new ATOM 0 HD13 ILE B 95 0.360 20.098 7.752 1.00 1.04 H new ATOM 3212 N ARG B 96 5.093 22.334 6.892 1.00 0.70 N ATOM 3213 CA ARG B 96 6.213 21.374 6.962 1.00 0.79 C ATOM 3214 C ARG B 96 6.589 21.027 8.423 1.00 0.79 C ATOM 3215 O ARG B 96 7.770 20.843 8.739 1.00 1.02 O ATOM 3216 CB ARG B 96 7.436 21.908 6.173 1.00 0.99 C ATOM 3217 CG ARG B 96 7.963 23.279 6.618 1.00 1.12 C ATOM 3218 CD ARG B 96 9.245 23.671 5.879 1.00 1.41 C ATOM 3219 NE ARG B 96 10.411 22.855 6.274 1.00 1.59 N ATOM 3220 CZ ARG B 96 11.664 23.018 5.796 1.00 2.01 C ATOM 3221 NH1 ARG B 96 11.935 23.922 4.844 1.00 2.42 N ATOM 3222 NH2 ARG B 96 12.652 22.254 6.269 1.00 2.37 N ATOM 0 H ARG B 96 5.315 23.260 7.257 1.00 0.70 H new ATOM 0 HA ARG B 96 5.884 20.446 6.495 1.00 0.79 H new ATOM 0 HB2 ARG B 96 8.245 21.183 6.257 1.00 0.99 H new ATOM 0 HB3 ARG B 96 7.168 21.966 5.118 1.00 0.99 H new ATOM 0 HG2 ARG B 96 7.198 24.035 6.442 1.00 1.12 H new ATOM 0 HG3 ARG B 96 8.154 23.263 7.691 1.00 1.12 H new ATOM 0 HD2 ARG B 96 9.085 23.570 4.806 1.00 1.41 H new ATOM 0 HD3 ARG B 96 9.462 24.722 6.071 1.00 1.41 H new ATOM 0 HE ARG B 96 10.259 22.114 6.958 1.00 1.59 H new ATOM 0 HH11 ARG B 96 11.188 24.504 4.466 1.00 2.42 H new ATOM 0 HH12 ARG B 96 12.889 24.028 4.498 1.00 2.42 H new ATOM 0 HH21 ARG B 96 12.457 21.554 6.985 1.00 2.37 H new ATOM 0 HH22 ARG B 96 13.601 22.370 5.914 1.00 2.37 H new ATOM 3236 N LYS B 97 5.571 20.921 9.312 1.00 0.72 N ATOM 3237 CA LYS B 97 5.800 20.578 10.736 1.00 0.76 C ATOM 3238 C LYS B 97 4.484 20.235 11.480 1.00 0.76 C ATOM 3239 O LYS B 97 3.817 21.120 12.029 1.00 1.04 O ATOM 3240 CB LYS B 97 6.564 21.705 11.478 1.00 0.89 C ATOM 3241 CG LYS B 97 6.022 23.121 11.239 1.00 0.94 C ATOM 3242 CD LYS B 97 6.566 24.135 12.254 1.00 1.16 C ATOM 3243 CE LYS B 97 5.655 24.293 13.478 1.00 1.49 C ATOM 3244 NZ LYS B 97 5.520 23.037 14.278 1.00 1.86 N ATOM 0 H LYS B 97 4.591 21.067 9.070 1.00 0.72 H new ATOM 0 HA LYS B 97 6.421 19.682 10.739 1.00 0.76 H new ATOM 0 HB2 LYS B 97 6.538 21.498 12.548 1.00 0.89 H new ATOM 0 HB3 LYS B 97 7.610 21.676 11.173 1.00 0.89 H new ATOM 0 HG2 LYS B 97 6.286 23.443 10.231 1.00 0.94 H new ATOM 0 HG3 LYS B 97 4.934 23.104 11.294 1.00 0.94 H new ATOM 0 HD2 LYS B 97 7.557 23.820 12.582 1.00 1.16 H new ATOM 0 HD3 LYS B 97 6.685 25.103 11.767 1.00 1.16 H new ATOM 0 HE2 LYS B 97 6.050 25.083 14.117 1.00 1.49 H new ATOM 0 HE3 LYS B 97 4.667 24.614 13.148 1.00 1.49 H new ATOM 0 HZ1 LYS B 97 5.067 23.253 15.189 1.00 1.86 H new ATOM 0 HZ2 LYS B 97 4.937 22.353 13.755 1.00 1.86 H new ATOM 0 HZ3 LYS B 97 6.462 22.630 14.448 1.00 1.86 H new ATOM 3258 N LYS B 98 4.106 18.941 11.471 1.00 0.71 N ATOM 3259 CA LYS B 98 2.898 18.463 12.169 1.00 0.74 C ATOM 3260 C LYS B 98 3.065 16.986 12.563 1.00 0.90 C ATOM 3261 O LYS B 98 3.376 16.724 13.745 1.00 1.07 O ATOM 3262 CB LYS B 98 1.629 18.668 11.302 1.00 0.96 C ATOM 3263 CG LYS B 98 0.314 18.380 12.045 1.00 1.08 C ATOM 3264 CD LYS B 98 -0.878 18.206 11.097 1.00 1.52 C ATOM 3265 CE LYS B 98 -2.054 17.495 11.776 1.00 1.69 C ATOM 3266 NZ LYS B 98 -2.679 18.309 12.863 1.00 1.85 N ATOM 3267 OXT LYS B 98 2.892 16.108 11.686 1.00 1.15 O ATOM 0 H LYS B 98 4.622 18.207 10.986 1.00 0.71 H new ATOM 0 HA LYS B 98 2.770 19.053 13.077 1.00 0.74 H new ATOM 0 HB2 LYS B 98 1.612 19.695 10.938 1.00 0.96 H new ATOM 0 HB3 LYS B 98 1.690 18.021 10.427 1.00 0.96 H new ATOM 0 HG2 LYS B 98 0.431 17.477 12.644 1.00 1.08 H new ATOM 0 HG3 LYS B 98 0.106 19.197 12.736 1.00 1.08 H new ATOM 0 HD2 LYS B 98 -1.203 19.183 10.740 1.00 1.52 H new ATOM 0 HD3 LYS B 98 -0.565 17.635 10.223 1.00 1.52 H new ATOM 0 HE2 LYS B 98 -2.810 17.258 11.027 1.00 1.69 H new ATOM 0 HE3 LYS B 98 -1.708 16.548 12.191 1.00 1.69 H new ATOM 0 HZ1 LYS B 98 -3.467 17.778 13.285 1.00 1.85 H new ATOM 0 HZ2 LYS B 98 -1.969 18.515 13.595 1.00 1.85 H new ATOM 0 HZ3 LYS B 98 -3.036 19.202 12.467 1.00 1.85 H new TER 3281 LYS B 98 HETATM 3282 NAA ANW A 99 14.290 16.474 10.593 1.00 4.56 N HETATM 3283 NAB ANW A 99 15.408 18.250 9.601 1.00 6.22 N HETATM 3284 CAC ANW A 99 8.105 11.225 12.719 1.00 5.26 C HETATM 3285 CAD ANW A 99 8.898 11.128 11.413 1.00 4.51 C HETATM 3286 CAE ANW A 99 9.374 9.689 11.203 1.00 5.16 C HETATM 3287 CAF ANW A 99 9.995 11.984 11.443 1.00 3.64 C HETATM 3288 CAG ANW A 99 10.248 12.811 10.353 1.00 3.13 C HETATM 3289 CAH ANW A 99 11.317 13.698 10.380 1.00 2.76 C HETATM 3290 CAI ANW A 99 12.129 13.772 11.507 1.00 3.04 C HETATM 3291 CAJ ANW A 99 11.876 12.951 12.598 1.00 3.59 C HETATM 3292 CAK ANW A 99 10.818 12.049 12.562 1.00 3.84 C HETATM 3293 CAL ANW A 99 13.332 15.540 10.513 1.00 3.63 C HETATM 3294 CAM ANW A 99 14.743 17.103 9.498 1.00 5.17 C HETATM 3295 CAN ANW A 99 14.248 16.792 8.236 1.00 5.05 C HETATM 3296 CAO ANW A 99 13.255 15.827 8.127 1.00 4.25 C HETATM 3297 CAP ANW A 99 12.793 15.198 9.278 1.00 3.42 C HETATM 3298 CAQ ANW A 99 11.669 14.384 9.226 1.00 3.01 C HETATM 3299 CAR ANW A 99 14.845 17.307 7.092 1.00 6.05 C HETATM 3300 OAS ANW A 99 13.129 14.696 11.564 1.00 3.49 O HETATM 3301 OAT ANW A 99 11.008 14.275 8.194 1.00 3.52 O HETATM 3302 OAU ANW A 99 14.317 17.118 5.976 1.00 6.33 O HETATM 3303 OAV ANW A 99 15.924 17.933 7.174 1.00 6.88 O HETATM 0 HOAV ANW A 99 16.216 18.201 6.278 1.00 6.88 H new HETATM 0 HNAB ANW A 99 15.578 18.660 10.519 1.00 6.22 H new HETATM 0 HNAA ANW A 99 15.748 18.720 8.762 1.00 6.22 H new HETATM 0 HAEB ANW A 99 10.012 9.392 12.035 1.00 5.16 H new HETATM 0 HAEA ANW A 99 8.512 9.024 11.151 1.00 5.16 H new HETATM 0 HACB ANW A 99 7.241 10.563 12.670 1.00 5.26 H new HETATM 0 HACA ANW A 99 8.741 10.930 13.554 1.00 5.26 H new HETATM 0 HAO ANW A 99 12.843 15.566 7.152 1.00 4.25 H new HETATM 0 HAK ANW A 99 10.634 11.392 13.412 1.00 3.84 H new HETATM 0 HAJ ANW A 99 12.508 13.014 13.484 1.00 3.59 H new HETATM 0 HAG ANW A 99 9.605 12.763 9.474 1.00 3.13 H new HETATM 0 HAE ANW A 99 9.938 9.624 10.272 1.00 5.16 H new HETATM 0 HAD ANW A 99 8.248 11.421 10.589 1.00 4.51 H new HETATM 0 HAC ANW A 99 7.768 12.251 12.865 1.00 5.26 H new HETATM 3317 NAA ANW B 99 -13.654 -18.856 7.507 1.00 4.81 N HETATM 3318 NAB ANW B 99 -14.793 -20.751 6.787 1.00 6.57 N HETATM 3319 CAC ANW B 99 -9.431 -11.541 6.810 1.00 5.53 C HETATM 3320 CAD ANW B 99 -10.781 -11.809 7.478 1.00 4.77 C HETATM 3321 CAE ANW B 99 -10.765 -11.266 8.908 1.00 5.55 C HETATM 3322 CAF ANW B 99 -11.043 -13.174 7.488 1.00 3.85 C HETATM 3323 CAG ANW B 99 -12.176 -13.658 6.844 1.00 3.21 C HETATM 3324 CAH ANW B 99 -12.489 -15.010 6.899 1.00 2.83 C HETATM 3325 CAI ANW B 99 -11.671 -15.884 7.608 1.00 3.21 C HETATM 3326 CAJ ANW B 99 -10.530 -15.403 8.245 1.00 3.83 C HETATM 3327 CAK ANW B 99 -10.216 -14.051 8.181 1.00 4.12 C HETATM 3328 CAL ANW B 99 -13.253 -17.597 7.282 1.00 3.82 C HETATM 3329 CAM ANW B 99 -14.586 -19.439 6.740 1.00 5.45 C HETATM 3330 CAN ANW B 99 -15.177 -18.754 5.685 1.00 5.26 C HETATM 3331 CAO ANW B 99 -14.774 -17.449 5.424 1.00 4.33 C HETATM 3332 CAP ANW B 99 -13.806 -16.866 6.235 1.00 3.50 C HETATM 3333 CAQ ANW B 99 -13.552 -15.505 6.156 1.00 3.00 C HETATM 3334 CAR ANW B 99 -16.249 -19.302 4.988 1.00 6.31 C HETATM 3335 OAS ANW B 99 -12.063 -17.176 7.798 1.00 3.68 O HETATM 3336 OAT ANW B 99 -14.267 -14.761 5.486 1.00 3.40 O HETATM 3337 OAU ANW B 99 -16.711 -18.710 3.989 1.00 6.52 O HETATM 3338 OAV ANW B 99 -16.766 -20.375 5.368 1.00 7.25 O HETATM 0 HOAV ANW B 99 -17.514 -20.604 4.778 1.00 7.25 H new HETATM 0 HNAB ANW B 99 -14.238 -21.333 7.415 1.00 6.57 H new HETATM 0 HNAA ANW B 99 -15.507 -21.176 6.196 1.00 6.57 H new HETATM 0 HAEB ANW B 99 -9.977 -11.760 9.476 1.00 5.55 H new HETATM 0 HAEA ANW B 99 -10.579 -10.192 8.887 1.00 5.55 H new HETATM 0 HACB ANW B 99 -9.243 -10.468 6.787 1.00 5.53 H new HETATM 0 HACA ANW B 99 -8.641 -12.035 7.375 1.00 5.53 H new HETATM 0 HAO ANW B 99 -15.210 -16.891 4.596 1.00 4.33 H new HETATM 0 HAK ANW B 99 -9.319 -13.677 8.675 1.00 4.12 H new HETATM 0 HAJ ANW B 99 -9.883 -16.087 8.794 1.00 3.83 H new HETATM 0 HAG ANW B 99 -12.821 -12.973 6.294 1.00 3.21 H new HETATM 0 HAE ANW B 99 -11.728 -11.458 9.381 1.00 5.55 H new HETATM 0 HAD ANW B 99 -11.566 -11.305 6.915 1.00 4.77 H new HETATM 0 HAC ANW B 99 -9.446 -11.929 5.792 1.00 5.53 H new