USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 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 25 TYR OH : rot 20:sc= 0.157 USER MOD Set 1.2: A 47 HIS : no HE2:sc= -2.12! C(o=-1.5!,f=-9!) USER MOD Set 1.3: A 77 GLN : amide:sc= -0.253 K(o=-1.5,f=-4.6!) USER MOD Set 1.4: A 79 THR OG1 : rot 81:sc= 0.702 USER MOD Set 2.1: A 44 THR OG1 : rot 176:sc= 0.276 USER MOD Set 2.2: A 117 GLN : amide:sc= -0.473 K(o=-0.2,f=-2.5!) USER MOD Set 3.1: A 30 MET CE :methyl 165:sc= -1.25 (180deg=-2.19) USER MOD Set 3.2: A 43 ASN : amide:sc= 0 K(o=-1.3,f=-4.6) USER MOD Set 4.1: A 6 TYR OH : rot 30:sc= 0.129 USER MOD Set 4.2: A 54 LYS NZ :NH3+ 151:sc= 0.137 (180deg=-0.0905) USER MOD Set 5.1: A 1 GLN : amide:sc= 0 X(o=-0.33,f=-0.0088) USER MOD Set 5.2: A 4 SER OG : rot 180:sc= 0 USER MOD Set 5.3: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 5.4: A 8 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.0088) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc=-0.00649 K(o=-0.0065,f=0.63) USER MOD Single : A 11 THR OG1 : rot 52:sc= 0.941 USER MOD Single : A 12 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.46) USER MOD Single : A 13 HIS : no HE2:sc= -0.0675 K(o=-0.067,f=-1.2) USER MOD Single : A 14 TYR OH : rot -74:sc= 0.0319 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0849 X(o=-0.085,f=-0.29) USER MOD Single : A 28 SER OG : rot 86:sc= 0.476 USER MOD Single : A 36 THR OG1 : rot -37:sc= 0.354 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 0.193 (180deg=0.0583) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.8) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.14) USER MOD Single : A 68 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.073) USER MOD Single : A 72 SER OG : rot -10:sc= -0.228 USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.0107 (180deg=-0.193) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 105:sc= 1.18 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= 0.187 (180deg=0.0114) USER MOD Single : A 84 HIS : no HE2:sc= -0.0329 X(o=-0.033,f=-0.08) USER MOD Single : A 87 SER OG : rot 94:sc= 0.478 USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 94 TYR OH : rot -1:sc= 0.153 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 109 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.044) USER MOD Single : A 114 HIS : no HE2:sc= -2.27! C(o=-2.3!,f=-3.6!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.190 -2.593 -3.312 1.00 0.00 N ATOM 2 CA GLN A 1 3.410 -2.485 -1.854 1.00 0.00 C ATOM 3 C GLN A 1 3.381 -3.841 -1.235 1.00 0.00 C ATOM 4 O GLN A 1 2.389 -4.560 -1.342 1.00 0.00 O ATOM 5 CB GLN A 1 2.292 -1.653 -1.205 1.00 0.00 C ATOM 6 CG GLN A 1 2.281 -0.184 -1.636 1.00 0.00 C ATOM 7 CD GLN A 1 1.179 0.526 -0.850 1.00 0.00 C ATOM 8 OE1 GLN A 1 0.113 0.841 -1.394 1.00 0.00 O ATOM 9 NE2 GLN A 1 1.456 0.779 0.465 1.00 0.00 N ATOM 0 H1 GLN A 1 3.211 -1.644 -3.738 1.00 0.00 H new ATOM 0 H2 GLN A 1 3.939 -3.179 -3.734 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.265 -3.032 -3.492 1.00 0.00 H new ATOM 0 HA GLN A 1 4.377 -2.008 -1.693 1.00 0.00 H new ATOM 0 HB2 GLN A 1 1.329 -2.101 -1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 1 2.398 -1.703 -0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 1 3.248 0.279 -1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.099 -0.102 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 1 2.353 0.496 0.861 1.00 0.00 H new ATOM 0 HE22 GLN A 1 0.766 1.250 1.050 1.00 0.00 H new ATOM 20 N ASP A 2 4.494 -4.215 -0.574 1.00 0.00 N ATOM 21 CA ASP A 2 4.631 -5.492 0.056 1.00 0.00 C ATOM 22 C ASP A 2 5.401 -5.229 1.299 1.00 0.00 C ATOM 23 O ASP A 2 6.629 -5.152 1.271 1.00 0.00 O ATOM 24 CB ASP A 2 5.449 -6.520 -0.741 1.00 0.00 C ATOM 25 CG ASP A 2 4.622 -7.056 -1.901 1.00 0.00 C ATOM 26 OD1 ASP A 2 3.554 -7.670 -1.635 1.00 0.00 O ATOM 27 OD2 ASP A 2 5.046 -6.856 -3.071 1.00 0.00 O ATOM 0 H ASP A 2 5.315 -3.617 -0.476 1.00 0.00 H new ATOM 0 HA ASP A 2 3.633 -5.911 0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.362 -6.058 -1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.752 -7.340 -0.090 1.00 0.00 H new ATOM 32 N ASN A 3 4.643 -5.064 2.407 1.00 0.00 N ATOM 33 CA ASN A 3 5.099 -4.778 3.748 1.00 0.00 C ATOM 34 C ASN A 3 5.278 -3.290 3.868 1.00 0.00 C ATOM 35 O ASN A 3 5.840 -2.793 4.837 1.00 0.00 O ATOM 36 CB ASN A 3 6.369 -5.543 4.212 1.00 0.00 C ATOM 37 CG ASN A 3 6.367 -5.820 5.721 1.00 0.00 C ATOM 38 OD1 ASN A 3 6.405 -4.928 6.574 1.00 0.00 O ATOM 39 ND2 ASN A 3 6.358 -7.150 6.042 1.00 0.00 N ATOM 0 H ASN A 3 3.627 -5.136 2.363 1.00 0.00 H new ATOM 0 HA ASN A 3 4.331 -5.148 4.427 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.438 -6.487 3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.254 -4.962 3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.383 -7.439 7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.326 -7.853 5.303 1.00 0.00 H new ATOM 46 N SER A 4 4.782 -2.538 2.866 1.00 0.00 N ATOM 47 CA SER A 4 4.700 -1.108 2.935 1.00 0.00 C ATOM 48 C SER A 4 3.353 -0.765 3.488 1.00 0.00 C ATOM 49 O SER A 4 3.189 0.259 4.150 1.00 0.00 O ATOM 50 CB SER A 4 4.881 -0.448 1.558 1.00 0.00 C ATOM 51 OG SER A 4 4.797 0.963 1.658 1.00 0.00 O ATOM 0 H SER A 4 4.431 -2.930 1.992 1.00 0.00 H new ATOM 0 HA SER A 4 5.503 -0.733 3.570 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.847 -0.730 1.139 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.117 -0.814 0.872 1.00 0.00 H new ATOM 0 HG SER A 4 4.916 1.362 0.771 1.00 0.00 H new ATOM 57 N ARG A 5 2.360 -1.645 3.217 1.00 0.00 N ATOM 58 CA ARG A 5 0.999 -1.519 3.658 1.00 0.00 C ATOM 59 C ARG A 5 0.946 -1.643 5.144 1.00 0.00 C ATOM 60 O ARG A 5 0.282 -0.839 5.803 1.00 0.00 O ATOM 61 CB ARG A 5 0.107 -2.632 3.083 1.00 0.00 C ATOM 62 CG ARG A 5 -0.033 -2.565 1.558 1.00 0.00 C ATOM 63 CD ARG A 5 -0.662 -3.815 0.936 1.00 0.00 C ATOM 64 NE ARG A 5 -2.069 -3.948 1.409 1.00 0.00 N ATOM 65 CZ ARG A 5 -2.824 -5.011 1.003 1.00 0.00 C ATOM 66 NH1 ARG A 5 -2.298 -5.942 0.155 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.105 -5.151 1.451 1.00 0.00 N ATOM 0 H ARG A 5 2.518 -2.486 2.662 1.00 0.00 H new ATOM 0 HA ARG A 5 0.639 -0.549 3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.521 -3.601 3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.882 -2.566 3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.639 -1.697 1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.953 -2.410 1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.637 -3.745 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.089 -4.700 1.212 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.467 -3.247 2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.339 -5.845 -0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.864 -6.735 -0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.500 -4.461 2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.668 -5.946 1.147 1.00 0.00 H new ATOM 81 N TYR A 6 1.665 -2.659 5.684 1.00 0.00 N ATOM 82 CA TYR A 6 1.930 -2.867 7.046 1.00 0.00 C ATOM 83 C TYR A 6 2.463 -1.682 7.737 1.00 0.00 C ATOM 84 O TYR A 6 1.841 -1.220 8.682 1.00 0.00 O ATOM 85 CB TYR A 6 3.033 -3.904 7.101 1.00 0.00 C ATOM 86 CG TYR A 6 3.276 -4.271 8.497 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.257 -4.963 9.062 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.412 -4.006 9.230 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.378 -5.524 10.295 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.519 -4.511 10.504 1.00 0.00 C ATOM 91 CZ TYR A 6 3.508 -5.284 11.047 1.00 0.00 C ATOM 92 OH TYR A 6 3.600 -5.779 12.364 1.00 0.00 O ATOM 0 H TYR A 6 2.085 -3.381 5.099 1.00 0.00 H new ATOM 0 HA TYR A 6 0.994 -3.146 7.529 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.750 -4.785 6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.944 -3.508 6.652 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.328 -5.071 8.521 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.208 -3.409 8.809 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.592 -6.155 10.683 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.403 -4.302 11.088 1.00 0.00 H new ATOM 0 HH TYR A 6 3.082 -6.607 12.439 1.00 0.00 H new ATOM 102 N THR A 7 3.647 -1.202 7.310 1.00 0.00 N ATOM 103 CA THR A 7 4.323 -0.135 7.965 1.00 0.00 C ATOM 104 C THR A 7 3.687 1.222 7.829 1.00 0.00 C ATOM 105 O THR A 7 4.059 2.119 8.578 1.00 0.00 O ATOM 106 CB THR A 7 5.767 0.017 7.612 1.00 0.00 C ATOM 107 OG1 THR A 7 5.911 0.571 6.312 1.00 0.00 O ATOM 108 CG2 THR A 7 6.535 -1.307 7.722 1.00 0.00 C ATOM 0 H THR A 7 4.140 -1.565 6.494 1.00 0.00 H new ATOM 0 HA THR A 7 4.233 -0.468 8.999 1.00 0.00 H new ATOM 0 HB THR A 7 6.203 0.704 8.338 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.863 0.664 6.100 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.579 -1.145 7.456 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.475 -1.679 8.745 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.097 -2.039 7.044 1.00 0.00 H new ATOM 116 N HIS A 8 2.721 1.423 6.904 1.00 0.00 N ATOM 117 CA HIS A 8 1.984 2.665 6.849 1.00 0.00 C ATOM 118 C HIS A 8 0.885 2.657 7.871 1.00 0.00 C ATOM 119 O HIS A 8 0.650 3.656 8.559 1.00 0.00 O ATOM 120 CB HIS A 8 1.400 2.965 5.463 1.00 0.00 C ATOM 121 CG HIS A 8 2.492 3.245 4.472 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.235 3.723 3.217 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.837 3.131 4.590 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.392 3.902 2.594 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.380 3.552 3.407 1.00 0.00 N ATOM 0 H HIS A 8 2.450 0.736 6.200 1.00 0.00 H new ATOM 0 HA HIS A 8 2.699 3.458 7.068 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.804 2.118 5.124 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.730 3.822 5.524 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.378 2.775 5.454 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.511 4.273 1.587 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.375 3.590 3.187 1.00 0.00 H new ATOM 134 N PHE A 9 0.237 1.478 8.022 1.00 0.00 N ATOM 135 CA PHE A 9 -0.690 1.169 9.088 1.00 0.00 C ATOM 136 C PHE A 9 0.011 1.271 10.412 1.00 0.00 C ATOM 137 O PHE A 9 -0.586 1.692 11.394 1.00 0.00 O ATOM 138 CB PHE A 9 -1.309 -0.240 8.888 1.00 0.00 C ATOM 139 CG PHE A 9 -1.706 -1.001 10.123 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.784 -0.613 10.903 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.086 -2.211 10.406 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.224 -1.418 11.935 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.553 -3.024 11.420 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.638 -2.630 12.183 1.00 0.00 C ATOM 0 H PHE A 9 0.363 0.702 7.372 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.507 1.891 9.070 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.193 -0.134 8.259 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.594 -0.847 8.333 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.282 0.324 10.703 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.229 -2.520 9.826 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.043 -1.086 12.556 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.070 -3.970 11.618 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.018 -3.271 12.965 1.00 0.00 H new ATOM 154 N LEU A 10 1.303 0.908 10.450 1.00 0.00 N ATOM 155 CA LEU A 10 2.158 0.981 11.589 1.00 0.00 C ATOM 156 C LEU A 10 2.647 2.374 11.879 1.00 0.00 C ATOM 157 O LEU A 10 3.020 2.654 13.017 1.00 0.00 O ATOM 158 CB LEU A 10 3.408 0.132 11.350 1.00 0.00 C ATOM 159 CG LEU A 10 4.003 -0.427 12.629 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.816 -1.937 12.711 1.00 0.00 C ATOM 161 CD2 LEU A 10 5.456 -0.025 12.843 1.00 0.00 C ATOM 0 H LEU A 10 1.781 0.539 9.628 1.00 0.00 H new ATOM 0 HA LEU A 10 1.560 0.629 12.429 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.157 -0.693 10.683 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.159 0.737 10.841 1.00 0.00 H new ATOM 0 HG LEU A 10 3.447 0.027 13.450 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.253 -2.308 13.638 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.752 -2.174 12.691 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.309 -2.411 11.863 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.820 -0.458 13.775 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.061 -0.390 12.013 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.529 1.061 12.895 1.00 0.00 H new ATOM 173 N THR A 11 2.692 3.270 10.861 1.00 0.00 N ATOM 174 CA THR A 11 3.052 4.648 11.071 1.00 0.00 C ATOM 175 C THR A 11 1.991 5.270 11.896 1.00 0.00 C ATOM 176 O THR A 11 2.282 5.778 12.975 1.00 0.00 O ATOM 177 CB THR A 11 3.284 5.479 9.825 1.00 0.00 C ATOM 178 OG1 THR A 11 4.326 4.903 9.056 1.00 0.00 O ATOM 179 CG2 THR A 11 3.710 6.917 10.191 1.00 0.00 C ATOM 0 H THR A 11 2.478 3.037 9.891 1.00 0.00 H new ATOM 0 HA THR A 11 4.025 4.635 11.562 1.00 0.00 H new ATOM 0 HB THR A 11 2.350 5.504 9.263 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.132 3.955 8.900 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.870 7.492 9.279 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.927 7.389 10.785 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.634 6.887 10.768 1.00 0.00 H new ATOM 187 N GLN A 12 0.747 5.228 11.397 1.00 0.00 N ATOM 188 CA GLN A 12 -0.371 5.792 12.088 1.00 0.00 C ATOM 189 C GLN A 12 -0.644 5.131 13.388 1.00 0.00 C ATOM 190 O GLN A 12 -0.783 5.815 14.397 1.00 0.00 O ATOM 191 CB GLN A 12 -1.633 5.609 11.249 1.00 0.00 C ATOM 192 CG GLN A 12 -1.821 6.600 10.088 1.00 0.00 C ATOM 193 CD GLN A 12 -0.699 6.680 9.043 1.00 0.00 C ATOM 194 OE1 GLN A 12 -0.761 5.993 8.017 1.00 0.00 O ATOM 195 NE2 GLN A 12 0.296 7.583 9.281 1.00 0.00 N ATOM 0 H GLN A 12 0.511 4.798 10.503 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.121 6.839 12.259 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.630 4.598 10.841 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.498 5.684 11.908 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.746 6.343 9.571 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.959 7.595 10.512 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.298 8.124 10.146 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.038 7.717 8.594 1.00 0.00 H new ATOM 204 N HIS A 13 -0.765 3.798 13.386 1.00 0.00 N ATOM 205 CA HIS A 13 -1.364 3.143 14.487 1.00 0.00 C ATOM 206 C HIS A 13 -0.425 2.505 15.447 1.00 0.00 C ATOM 207 O HIS A 13 -0.881 2.176 16.524 1.00 0.00 O ATOM 208 CB HIS A 13 -2.358 2.089 14.017 1.00 0.00 C ATOM 209 CG HIS A 13 -3.464 2.724 13.237 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.582 3.213 13.849 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.606 2.941 11.909 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.405 3.670 12.915 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.832 3.524 11.727 1.00 0.00 N ATOM 0 H HIS A 13 -0.452 3.185 12.633 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.858 3.950 15.028 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.848 1.349 13.400 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.769 1.559 14.876 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.755 3.225 14.854 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.889 2.700 11.138 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.383 4.092 13.092 1.00 0.00 H new ATOM 222 N TYR A 14 0.869 2.275 15.161 1.00 0.00 N ATOM 223 CA TYR A 14 1.698 1.697 16.195 1.00 0.00 C ATOM 224 C TYR A 14 2.394 2.784 16.951 1.00 0.00 C ATOM 225 O TYR A 14 2.926 3.718 16.352 1.00 0.00 O ATOM 226 CB TYR A 14 2.739 0.746 15.637 1.00 0.00 C ATOM 227 CG TYR A 14 3.320 -0.158 16.656 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.668 -1.325 17.011 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.593 0.075 17.132 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.244 -2.194 17.910 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.153 -0.780 18.049 1.00 0.00 C ATOM 232 CZ TYR A 14 4.450 -1.875 18.497 1.00 0.00 C ATOM 233 OH TYR A 14 5.031 -2.721 19.458 1.00 0.00 O ATOM 0 H TYR A 14 1.329 2.472 14.272 1.00 0.00 H new ATOM 0 HA TYR A 14 1.040 1.129 16.852 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.286 0.147 14.847 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.540 1.325 15.178 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.704 -1.555 16.582 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.151 0.932 16.783 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.752 -3.124 18.155 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.150 -0.592 18.420 1.00 0.00 H new ATOM 0 HH TYR A 14 4.545 -2.637 20.305 1.00 0.00 H new ATOM 243 N ASP A 15 2.439 2.657 18.296 1.00 0.00 N ATOM 244 CA ASP A 15 3.348 3.466 19.062 1.00 0.00 C ATOM 245 C ASP A 15 3.639 2.634 20.261 1.00 0.00 C ATOM 246 O ASP A 15 2.812 2.581 21.164 1.00 0.00 O ATOM 247 CB ASP A 15 2.810 4.838 19.523 1.00 0.00 C ATOM 248 CG ASP A 15 3.920 5.535 20.303 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.001 5.783 19.706 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.694 5.839 21.504 1.00 0.00 O ATOM 0 H ASP A 15 1.864 2.014 18.840 1.00 0.00 H new ATOM 0 HA ASP A 15 4.205 3.721 18.438 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.511 5.439 18.664 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.926 4.711 20.147 1.00 0.00 H new ATOM 255 N ALA A 16 4.814 1.957 20.250 1.00 0.00 N ATOM 256 CA ALA A 16 5.210 0.851 21.104 1.00 0.00 C ATOM 257 C ALA A 16 4.828 0.892 22.541 1.00 0.00 C ATOM 258 O ALA A 16 4.306 -0.089 23.060 1.00 0.00 O ATOM 259 CB ALA A 16 6.713 0.557 21.100 1.00 0.00 C ATOM 0 H ALA A 16 5.551 2.202 19.589 1.00 0.00 H new ATOM 0 HA ALA A 16 4.622 0.074 20.615 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.921 -0.282 21.763 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.032 0.308 20.088 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.257 1.436 21.446 1.00 0.00 H new ATOM 265 N LYS A 17 5.093 2.015 23.220 1.00 0.00 N ATOM 266 CA LYS A 17 4.526 2.252 24.517 1.00 0.00 C ATOM 267 C LYS A 17 4.299 3.731 24.544 1.00 0.00 C ATOM 268 O LYS A 17 5.057 4.453 23.897 1.00 0.00 O ATOM 269 CB LYS A 17 5.455 1.922 25.715 1.00 0.00 C ATOM 270 CG LYS A 17 5.668 0.426 26.003 1.00 0.00 C ATOM 271 CD LYS A 17 4.386 -0.321 26.403 1.00 0.00 C ATOM 272 CE LYS A 17 4.596 -1.829 26.550 1.00 0.00 C ATOM 273 NZ LYS A 17 3.308 -2.495 26.845 1.00 0.00 N ATOM 0 H LYS A 17 5.698 2.762 22.878 1.00 0.00 H new ATOM 0 HA LYS A 17 3.649 1.616 24.635 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.427 2.380 25.534 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.044 2.390 26.609 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.091 -0.048 25.117 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.402 0.321 26.802 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.016 0.083 27.345 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.616 -0.138 25.653 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.023 -2.236 25.633 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.309 -2.029 27.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.461 -3.519 26.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.917 -2.117 27.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.640 -2.318 26.068 1.00 0.00 H new ATOM 287 N PRO A 18 3.304 4.228 25.261 1.00 0.00 N ATOM 288 CA PRO A 18 2.980 5.625 25.262 1.00 0.00 C ATOM 289 C PRO A 18 3.874 6.306 26.258 1.00 0.00 C ATOM 290 O PRO A 18 4.544 5.633 27.042 1.00 0.00 O ATOM 291 CB PRO A 18 1.527 5.663 25.750 1.00 0.00 C ATOM 292 CG PRO A 18 1.358 4.387 26.570 1.00 0.00 C ATOM 293 CD PRO A 18 2.202 3.428 25.755 1.00 0.00 C ATOM 0 HA PRO A 18 3.105 6.114 24.296 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.336 6.550 26.354 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.829 5.691 24.913 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.724 4.498 27.591 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.317 4.071 26.637 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.559 2.599 26.366 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.629 2.996 24.935 1.00 0.00 H new ATOM 301 N GLN A 19 3.861 7.656 26.241 1.00 0.00 N ATOM 302 CA GLN A 19 4.553 8.466 27.206 1.00 0.00 C ATOM 303 C GLN A 19 3.800 8.371 28.493 1.00 0.00 C ATOM 304 O GLN A 19 4.250 7.741 29.449 1.00 0.00 O ATOM 305 CB GLN A 19 4.653 9.943 26.779 1.00 0.00 C ATOM 306 CG GLN A 19 5.526 10.138 25.533 1.00 0.00 C ATOM 307 CD GLN A 19 5.498 11.618 25.157 1.00 0.00 C ATOM 308 OE1 GLN A 19 4.485 12.135 24.671 1.00 0.00 O ATOM 309 NE2 GLN A 19 6.657 12.306 25.393 1.00 0.00 N ATOM 0 H GLN A 19 3.357 8.198 25.539 1.00 0.00 H new ATOM 0 HA GLN A 19 5.574 8.098 27.303 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.653 10.329 26.582 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.064 10.528 27.602 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.548 9.815 25.731 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.154 9.529 24.709 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.462 11.826 25.796 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.716 13.299 25.166 1.00 0.00 H new ATOM 318 N GLY A 20 2.610 8.990 28.509 1.00 0.00 N ATOM 319 CA GLY A 20 1.620 8.737 29.514 1.00 0.00 C ATOM 320 C GLY A 20 0.420 8.420 28.717 1.00 0.00 C ATOM 321 O GLY A 20 0.479 8.395 27.493 1.00 0.00 O ATOM 0 H GLY A 20 2.326 9.680 27.813 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.905 7.909 30.163 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.463 9.605 30.155 1.00 0.00 H new ATOM 325 N ARG A 21 -0.706 8.179 29.400 1.00 0.00 N ATOM 326 CA ARG A 21 -1.940 7.890 28.725 1.00 0.00 C ATOM 327 C ARG A 21 -2.874 8.992 29.071 1.00 0.00 C ATOM 328 O ARG A 21 -3.797 8.831 29.869 1.00 0.00 O ATOM 329 CB ARG A 21 -2.532 6.514 29.071 1.00 0.00 C ATOM 330 CG ARG A 21 -1.688 5.392 28.449 1.00 0.00 C ATOM 331 CD ARG A 21 -2.297 3.992 28.537 1.00 0.00 C ATOM 332 NE ARG A 21 -1.954 3.379 29.857 1.00 0.00 N ATOM 333 CZ ARG A 21 -2.854 3.241 30.877 1.00 0.00 C ATOM 334 NH1 ARG A 21 -4.129 3.709 30.764 1.00 0.00 N ATOM 335 NH2 ARG A 21 -2.466 2.622 32.033 1.00 0.00 N ATOM 0 H ARG A 21 -0.770 8.182 30.418 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.761 7.834 27.651 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.571 6.390 30.153 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.557 6.451 28.706 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.514 5.630 27.400 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.714 5.378 28.938 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.379 4.047 28.420 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.920 3.369 27.726 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.001 3.047 30.004 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.428 4.173 29.906 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.784 3.595 31.537 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.514 2.269 32.128 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.129 2.513 32.801 1.00 0.00 H new ATOM 349 N ASP A 22 -2.610 10.162 28.458 1.00 0.00 N ATOM 350 CA ASP A 22 -3.325 11.361 28.753 1.00 0.00 C ATOM 351 C ASP A 22 -3.369 12.166 27.495 1.00 0.00 C ATOM 352 O ASP A 22 -2.800 11.784 26.470 1.00 0.00 O ATOM 353 CB ASP A 22 -2.714 12.153 29.928 1.00 0.00 C ATOM 354 CG ASP A 22 -1.194 12.252 29.821 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.686 13.016 28.961 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.516 11.564 30.631 1.00 0.00 O ATOM 0 H ASP A 22 -1.888 10.274 27.746 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.333 11.115 29.087 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.142 13.155 29.951 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.981 11.670 30.868 1.00 0.00 H new ATOM 361 N ASP A 23 -4.068 13.320 27.570 1.00 0.00 N ATOM 362 CA ASP A 23 -4.359 14.172 26.449 1.00 0.00 C ATOM 363 C ASP A 23 -3.148 14.897 25.943 1.00 0.00 C ATOM 364 O ASP A 23 -3.156 15.373 24.811 1.00 0.00 O ATOM 365 CB ASP A 23 -5.450 15.224 26.748 1.00 0.00 C ATOM 366 CG ASP A 23 -4.997 16.230 27.804 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.823 15.832 28.986 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.836 17.426 27.439 1.00 0.00 O ATOM 0 H ASP A 23 -4.446 13.674 28.449 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.724 13.485 25.685 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.706 15.752 25.830 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.355 14.722 27.090 1.00 0.00 H new ATOM 373 N ARG A 24 -2.082 14.996 26.770 1.00 0.00 N ATOM 374 CA ARG A 24 -0.862 15.642 26.389 1.00 0.00 C ATOM 375 C ARG A 24 0.016 14.688 25.643 1.00 0.00 C ATOM 376 O ARG A 24 0.882 15.127 24.891 1.00 0.00 O ATOM 377 CB ARG A 24 -0.056 16.177 27.584 1.00 0.00 C ATOM 378 CG ARG A 24 -0.851 17.167 28.445 1.00 0.00 C ATOM 379 CD ARG A 24 -0.027 17.738 29.600 1.00 0.00 C ATOM 380 NE ARG A 24 -0.897 18.688 30.351 1.00 0.00 N ATOM 381 CZ ARG A 24 -0.410 19.379 31.422 1.00 0.00 C ATOM 382 NH1 ARG A 24 0.884 19.206 31.823 1.00 0.00 N ATOM 383 NH2 ARG A 24 -1.220 20.249 32.095 1.00 0.00 N ATOM 0 H ARG A 24 -2.071 14.620 27.718 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.158 16.487 25.768 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.264 15.340 28.204 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.847 16.666 27.217 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.205 17.985 27.818 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.733 16.667 28.845 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.320 16.938 30.254 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.859 18.248 29.222 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.866 18.823 30.061 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.491 18.558 31.321 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.243 19.725 32.624 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.186 20.381 31.797 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.858 20.767 32.896 1.00 0.00 H new ATOM 397 N TYR A 25 -0.192 13.362 25.828 1.00 0.00 N ATOM 398 CA TYR A 25 0.539 12.364 25.095 1.00 0.00 C ATOM 399 C TYR A 25 -0.059 12.302 23.739 1.00 0.00 C ATOM 400 O TYR A 25 0.682 12.202 22.765 1.00 0.00 O ATOM 401 CB TYR A 25 0.500 10.954 25.728 1.00 0.00 C ATOM 402 CG TYR A 25 0.591 9.838 24.715 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.760 9.533 24.028 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.533 9.059 24.480 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.788 8.507 23.105 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.506 8.038 23.554 1.00 0.00 C ATOM 407 CZ TYR A 25 0.655 7.761 22.867 1.00 0.00 C ATOM 408 OH TYR A 25 0.682 6.708 21.931 1.00 0.00 O ATOM 0 H TYR A 25 -0.870 12.982 26.489 1.00 0.00 H new ATOM 0 HA TYR A 25 1.589 12.655 25.089 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.323 10.859 26.437 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.424 10.844 26.296 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.656 10.105 24.218 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.441 9.255 25.030 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.700 8.289 22.569 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.396 7.455 23.367 1.00 0.00 H new ATOM 0 HH TYR A 25 1.609 6.425 21.784 1.00 0.00 H new ATOM 418 N CYS A 26 -1.408 12.349 23.657 1.00 0.00 N ATOM 419 CA CYS A 26 -2.110 12.260 22.406 1.00 0.00 C ATOM 420 C CYS A 26 -1.869 13.444 21.529 1.00 0.00 C ATOM 421 O CYS A 26 -1.762 13.299 20.312 1.00 0.00 O ATOM 422 CB CYS A 26 -3.623 12.162 22.576 1.00 0.00 C ATOM 423 SG CYS A 26 -4.158 10.488 22.985 1.00 0.00 S ATOM 0 H CYS A 26 -2.018 12.450 24.468 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.717 11.350 21.952 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.943 12.846 23.362 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.111 12.483 21.656 1.00 0.00 H new ATOM 428 N GLU A 27 -1.773 14.637 22.148 1.00 0.00 N ATOM 429 CA GLU A 27 -1.457 15.861 21.471 1.00 0.00 C ATOM 430 C GLU A 27 -0.061 15.818 20.945 1.00 0.00 C ATOM 431 O GLU A 27 0.167 16.246 19.816 1.00 0.00 O ATOM 432 CB GLU A 27 -1.541 17.099 22.383 1.00 0.00 C ATOM 433 CG GLU A 27 -2.963 17.652 22.533 1.00 0.00 C ATOM 434 CD GLU A 27 -3.206 18.670 21.427 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.901 18.361 20.245 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.693 19.785 21.757 1.00 0.00 O ATOM 0 H GLU A 27 -1.920 14.754 23.151 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.196 15.949 20.675 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.154 16.841 23.369 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.896 17.881 21.982 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.692 16.844 22.471 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.087 18.118 23.510 1.00 0.00 H new ATOM 443 N SER A 28 0.897 15.304 21.751 1.00 0.00 N ATOM 444 CA SER A 28 2.274 15.249 21.374 1.00 0.00 C ATOM 445 C SER A 28 2.559 14.268 20.289 1.00 0.00 C ATOM 446 O SER A 28 3.465 14.519 19.506 1.00 0.00 O ATOM 447 CB SER A 28 3.204 14.895 22.540 1.00 0.00 C ATOM 448 OG SER A 28 3.291 15.983 23.447 1.00 0.00 O ATOM 0 H SER A 28 0.706 14.922 22.677 1.00 0.00 H new ATOM 0 HA SER A 28 2.471 16.261 21.021 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.831 14.011 23.057 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.196 14.648 22.161 1.00 0.00 H new ATOM 0 HG SER A 28 2.549 15.936 24.086 1.00 0.00 H new ATOM 454 N ILE A 29 1.816 13.141 20.215 1.00 0.00 N ATOM 455 CA ILE A 29 2.098 12.118 19.240 1.00 0.00 C ATOM 456 C ILE A 29 1.501 12.472 17.920 1.00 0.00 C ATOM 457 O ILE A 29 2.080 12.169 16.879 1.00 0.00 O ATOM 458 CB ILE A 29 1.779 10.685 19.649 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.262 9.686 18.581 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.290 10.440 19.956 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.628 8.345 19.184 1.00 0.00 C ATOM 0 H ILE A 29 1.025 12.937 20.825 1.00 0.00 H new ATOM 0 HA ILE A 29 3.185 12.109 19.159 1.00 0.00 H new ATOM 0 HB ILE A 29 2.321 10.523 20.580 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.480 9.547 17.835 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.127 10.099 18.063 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.144 9.398 20.239 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.024 11.086 20.776 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.305 10.662 19.070 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.963 7.671 18.396 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.429 8.479 19.911 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.756 7.919 19.679 1.00 0.00 H new ATOM 473 N MET A 30 0.341 13.150 17.929 1.00 0.00 N ATOM 474 CA MET A 30 -0.302 13.538 16.710 1.00 0.00 C ATOM 475 C MET A 30 0.423 14.673 16.057 1.00 0.00 C ATOM 476 O MET A 30 0.439 14.776 14.832 1.00 0.00 O ATOM 477 CB MET A 30 -1.728 13.989 16.985 1.00 0.00 C ATOM 478 CG MET A 30 -2.671 12.801 17.228 1.00 0.00 C ATOM 479 SD MET A 30 -3.430 12.152 15.714 1.00 0.00 S ATOM 480 CE MET A 30 -4.652 11.139 16.591 1.00 0.00 C ATOM 0 H MET A 30 -0.152 13.430 18.777 1.00 0.00 H new ATOM 0 HA MET A 30 -0.297 12.670 16.050 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.739 14.645 17.856 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.092 14.574 16.141 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.115 12.001 17.717 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.459 13.108 17.916 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.432 10.827 15.896 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.163 10.258 17.007 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.097 11.722 17.397 1.00 0.00 H new ATOM 490 N ARG A 31 1.045 15.545 16.876 1.00 0.00 N ATOM 491 CA ARG A 31 1.876 16.613 16.395 1.00 0.00 C ATOM 492 C ARG A 31 3.214 16.125 15.910 1.00 0.00 C ATOM 493 O ARG A 31 3.767 16.704 14.975 1.00 0.00 O ATOM 494 CB ARG A 31 2.165 17.676 17.477 1.00 0.00 C ATOM 495 CG ARG A 31 2.234 19.114 16.949 1.00 0.00 C ATOM 496 CD ARG A 31 0.840 19.671 16.651 1.00 0.00 C ATOM 497 NE ARG A 31 0.986 21.008 16.009 1.00 0.00 N ATOM 498 CZ ARG A 31 -0.090 21.597 15.409 1.00 0.00 C ATOM 499 NH1 ARG A 31 -1.292 20.953 15.377 1.00 0.00 N ATOM 500 NH2 ARG A 31 0.035 22.832 14.841 1.00 0.00 N ATOM 0 H ARG A 31 0.970 15.508 17.893 1.00 0.00 H new ATOM 0 HA ARG A 31 1.304 17.049 15.576 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.390 17.619 18.241 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.110 17.435 17.963 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.731 19.748 17.683 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.839 19.141 16.043 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.295 18.994 15.993 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.262 19.755 17.571 1.00 0.00 H new ATOM 0 HE ARG A 31 1.889 21.483 16.018 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.388 20.031 15.802 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.095 21.394 14.929 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.933 23.316 14.865 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.769 23.271 14.393 1.00 0.00 H new ATOM 514 N ARG A 32 3.768 15.078 16.565 1.00 0.00 N ATOM 515 CA ARG A 32 5.103 14.592 16.327 1.00 0.00 C ATOM 516 C ARG A 32 5.186 13.915 15.002 1.00 0.00 C ATOM 517 O ARG A 32 6.011 14.306 14.176 1.00 0.00 O ATOM 518 CB ARG A 32 5.572 13.605 17.417 1.00 0.00 C ATOM 519 CG ARG A 32 7.012 13.080 17.308 1.00 0.00 C ATOM 520 CD ARG A 32 7.377 12.171 18.492 1.00 0.00 C ATOM 521 NE ARG A 32 7.310 12.983 19.745 1.00 0.00 N ATOM 522 CZ ARG A 32 7.094 12.413 20.968 1.00 0.00 C ATOM 523 NH1 ARG A 32 6.959 11.061 21.095 1.00 0.00 N ATOM 524 NH2 ARG A 32 7.018 13.206 22.077 1.00 0.00 N ATOM 0 H ARG A 32 3.271 14.552 17.284 1.00 0.00 H new ATOM 0 HA ARG A 32 5.757 15.464 16.347 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.461 14.092 18.386 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.898 12.749 17.412 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.128 12.527 16.376 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.704 13.921 17.268 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.689 11.327 18.549 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.377 11.759 18.360 1.00 0.00 H new ATOM 0 HE ARG A 32 7.429 13.994 19.685 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.019 10.463 20.271 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.798 10.649 22.014 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.122 14.217 21.989 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.857 12.788 22.993 1.00 0.00 H new ATOM 538 N ARG A 33 4.344 12.879 14.772 1.00 0.00 N ATOM 539 CA ARG A 33 4.456 12.130 13.551 1.00 0.00 C ATOM 540 C ARG A 33 3.681 12.785 12.442 1.00 0.00 C ATOM 541 O ARG A 33 3.943 12.518 11.270 1.00 0.00 O ATOM 542 CB ARG A 33 4.123 10.631 13.680 1.00 0.00 C ATOM 543 CG ARG A 33 2.670 10.279 14.015 1.00 0.00 C ATOM 544 CD ARG A 33 2.429 8.766 14.061 1.00 0.00 C ATOM 545 NE ARG A 33 3.066 8.186 15.291 1.00 0.00 N ATOM 546 CZ ARG A 33 4.167 7.373 15.259 1.00 0.00 C ATOM 547 NH1 ARG A 33 4.831 7.131 14.092 1.00 0.00 N ATOM 548 NH2 ARG A 33 4.613 6.799 16.415 1.00 0.00 N ATOM 0 H ARG A 33 3.610 12.569 15.409 1.00 0.00 H new ATOM 0 HA ARG A 33 5.515 12.151 13.295 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.385 10.142 12.742 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.764 10.205 14.452 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.407 10.715 14.979 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.010 10.726 13.272 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.359 8.559 14.063 1.00 0.00 H new ATOM 0 HD3 ARG A 33 2.843 8.295 13.169 1.00 0.00 H new ATOM 0 HE ARG A 33 2.657 8.410 16.198 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.509 7.559 13.224 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.650 6.522 14.088 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.127 6.977 17.294 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.433 6.192 16.400 1.00 0.00 H new ATOM 562 N GLY A 34 2.737 13.687 12.795 1.00 0.00 N ATOM 563 CA GLY A 34 2.135 14.574 11.842 1.00 0.00 C ATOM 564 C GLY A 34 0.982 13.916 11.167 1.00 0.00 C ATOM 565 O GLY A 34 1.051 13.596 9.981 1.00 0.00 O ATOM 0 H GLY A 34 2.391 13.800 13.748 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.800 15.482 12.344 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.874 14.875 11.100 1.00 0.00 H new ATOM 569 N LEU A 35 -0.121 13.726 11.924 1.00 0.00 N ATOM 570 CA LEU A 35 -1.359 13.227 11.393 1.00 0.00 C ATOM 571 C LEU A 35 -2.362 14.307 11.619 1.00 0.00 C ATOM 572 O LEU A 35 -3.567 14.096 11.490 1.00 0.00 O ATOM 573 CB LEU A 35 -1.928 12.015 12.146 1.00 0.00 C ATOM 574 CG LEU A 35 -0.937 10.857 12.407 1.00 0.00 C ATOM 575 CD1 LEU A 35 -1.598 9.723 13.210 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.318 10.294 11.118 1.00 0.00 C ATOM 0 H LEU A 35 -0.153 13.923 12.924 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.174 12.938 10.359 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.318 12.357 13.105 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.773 11.624 11.580 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.127 11.287 12.996 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.874 8.925 13.376 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.940 10.109 14.171 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.449 9.331 12.653 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.368 9.485 11.367 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.108 9.913 10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.226 11.084 10.600 1.00 0.00 H new ATOM 588 N THR A 36 -1.852 15.499 11.992 1.00 0.00 N ATOM 589 CA THR A 36 -2.644 16.615 12.418 1.00 0.00 C ATOM 590 C THR A 36 -2.855 17.539 11.251 1.00 0.00 C ATOM 591 O THR A 36 -3.447 18.606 11.387 1.00 0.00 O ATOM 592 CB THR A 36 -1.986 17.328 13.583 1.00 0.00 C ATOM 593 OG1 THR A 36 -2.859 18.285 14.164 1.00 0.00 O ATOM 594 CG2 THR A 36 -0.656 17.990 13.159 1.00 0.00 C ATOM 0 H THR A 36 -0.850 15.692 11.997 1.00 0.00 H new ATOM 0 HA THR A 36 -3.615 16.264 12.768 1.00 0.00 H new ATOM 0 HB THR A 36 -1.762 16.575 14.338 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.389 18.714 13.460 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.210 18.493 14.017 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.029 17.227 12.789 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.847 18.718 12.371 1.00 0.00 H new ATOM 602 N SER A 37 -2.370 17.145 10.059 1.00 0.00 N ATOM 603 CA SER A 37 -2.468 17.950 8.885 1.00 0.00 C ATOM 604 C SER A 37 -3.039 17.114 7.775 1.00 0.00 C ATOM 605 O SER A 37 -2.285 16.330 7.201 1.00 0.00 O ATOM 606 CB SER A 37 -1.063 18.364 8.440 1.00 0.00 C ATOM 607 OG SER A 37 -0.571 19.412 9.262 1.00 0.00 O ATOM 0 H SER A 37 -1.902 16.251 9.910 1.00 0.00 H new ATOM 0 HA SER A 37 -3.089 18.821 9.097 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.391 17.507 8.492 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.085 18.689 7.400 1.00 0.00 H new ATOM 0 HG SER A 37 0.329 19.665 8.966 1.00 0.00 H new ATOM 613 N PRO A 38 -4.304 17.217 7.381 1.00 0.00 N ATOM 614 CA PRO A 38 -5.424 17.732 8.131 1.00 0.00 C ATOM 615 C PRO A 38 -5.752 16.699 9.173 1.00 0.00 C ATOM 616 O PRO A 38 -5.358 15.541 9.025 1.00 0.00 O ATOM 617 CB PRO A 38 -6.549 17.834 7.101 1.00 0.00 C ATOM 618 CG PRO A 38 -6.230 16.744 6.072 1.00 0.00 C ATOM 619 CD PRO A 38 -4.702 16.679 6.093 1.00 0.00 C ATOM 0 HA PRO A 38 -5.250 18.690 8.621 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.524 17.672 7.561 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.575 18.821 6.638 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.677 15.789 6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.608 17.001 5.083 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.352 15.654 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.274 17.261 5.277 1.00 0.00 H new ATOM 627 N CYS A 39 -6.455 17.119 10.249 1.00 0.00 N ATOM 628 CA CYS A 39 -6.580 16.321 11.426 1.00 0.00 C ATOM 629 C CYS A 39 -7.475 15.152 11.214 1.00 0.00 C ATOM 630 O CYS A 39 -8.659 15.298 10.909 1.00 0.00 O ATOM 631 CB CYS A 39 -7.152 17.112 12.604 1.00 0.00 C ATOM 632 SG CYS A 39 -6.190 18.603 12.964 1.00 0.00 S ATOM 0 H CYS A 39 -6.937 18.017 10.297 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.566 15.990 11.651 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.182 17.392 12.385 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.176 16.476 13.489 1.00 0.00 H new ATOM 637 N LYS A 40 -6.885 13.953 11.399 1.00 0.00 N ATOM 638 CA LYS A 40 -7.612 12.723 11.398 1.00 0.00 C ATOM 639 C LYS A 40 -8.220 12.659 12.756 1.00 0.00 C ATOM 640 O LYS A 40 -7.560 12.940 13.756 1.00 0.00 O ATOM 641 CB LYS A 40 -6.705 11.499 11.151 1.00 0.00 C ATOM 642 CG LYS A 40 -7.423 10.137 11.118 1.00 0.00 C ATOM 643 CD LYS A 40 -8.465 9.998 9.995 1.00 0.00 C ATOM 644 CE LYS A 40 -9.157 8.631 9.980 1.00 0.00 C ATOM 645 NZ LYS A 40 -9.981 8.451 11.195 1.00 0.00 N ATOM 0 H LYS A 40 -5.883 13.839 11.552 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.347 12.696 10.594 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.186 11.639 10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.944 11.470 11.930 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.678 9.349 11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.916 9.976 12.077 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.218 10.778 10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.978 10.162 9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.784 8.545 9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.410 7.840 9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.620 7.641 11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.362 8.275 12.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.542 9.310 11.365 1.00 0.00 H new ATOM 659 N ASP A 41 -9.523 12.309 12.792 1.00 0.00 N ATOM 660 CA ASP A 41 -10.344 12.498 13.949 1.00 0.00 C ATOM 661 C ASP A 41 -10.216 11.389 14.937 1.00 0.00 C ATOM 662 O ASP A 41 -10.647 11.547 16.075 1.00 0.00 O ATOM 663 CB ASP A 41 -11.831 12.627 13.595 1.00 0.00 C ATOM 664 CG ASP A 41 -11.973 13.783 12.614 1.00 0.00 C ATOM 665 OD1 ASP A 41 -11.637 14.934 13.001 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.417 13.529 11.464 1.00 0.00 O ATOM 0 H ASP A 41 -10.013 11.888 12.003 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.981 13.426 14.390 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.201 11.702 13.153 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.423 12.811 14.491 1.00 0.00 H new ATOM 671 N ILE A 42 -9.643 10.236 14.543 1.00 0.00 N ATOM 672 CA ILE A 42 -9.448 9.181 15.491 1.00 0.00 C ATOM 673 C ILE A 42 -8.279 8.382 14.984 1.00 0.00 C ATOM 674 O ILE A 42 -8.277 7.928 13.843 1.00 0.00 O ATOM 675 CB ILE A 42 -10.713 8.347 15.736 1.00 0.00 C ATOM 676 CG1 ILE A 42 -10.562 7.311 16.878 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.310 7.764 14.435 1.00 0.00 C ATOM 678 CD1 ILE A 42 -10.169 5.896 16.446 1.00 0.00 C ATOM 0 H ILE A 42 -9.323 10.036 13.595 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.232 9.580 16.482 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.461 9.049 16.105 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.812 7.678 17.579 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.506 7.256 17.420 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.202 7.184 14.672 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.575 8.578 13.760 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.575 7.118 13.955 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.092 5.256 17.325 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.927 5.498 15.772 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.208 5.926 15.933 1.00 0.00 H new ATOM 690 N ASN A 43 -7.247 8.189 15.837 1.00 0.00 N ATOM 691 CA ASN A 43 -6.196 7.250 15.520 1.00 0.00 C ATOM 692 C ASN A 43 -5.873 6.531 16.774 1.00 0.00 C ATOM 693 O ASN A 43 -5.615 7.144 17.808 1.00 0.00 O ATOM 694 CB ASN A 43 -4.850 7.827 15.041 1.00 0.00 C ATOM 695 CG ASN A 43 -4.998 8.445 13.653 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.011 9.672 13.504 1.00 0.00 O ATOM 697 ND2 ASN A 43 -5.094 7.554 12.620 1.00 0.00 N ATOM 0 H ASN A 43 -7.138 8.671 16.729 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.594 6.660 14.694 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.499 8.581 15.746 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.098 7.039 15.016 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.182 7.892 11.662 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.077 6.552 12.808 1.00 0.00 H new ATOM 704 N THR A 44 -5.869 5.190 16.681 1.00 0.00 N ATOM 705 CA THR A 44 -5.593 4.349 17.801 1.00 0.00 C ATOM 706 C THR A 44 -4.152 3.981 17.752 1.00 0.00 C ATOM 707 O THR A 44 -3.720 3.322 16.809 1.00 0.00 O ATOM 708 CB THR A 44 -6.410 3.094 17.746 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.763 3.454 17.524 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.296 2.350 19.081 1.00 0.00 C ATOM 0 H THR A 44 -6.060 4.683 15.817 1.00 0.00 H new ATOM 0 HA THR A 44 -5.840 4.882 18.719 1.00 0.00 H new ATOM 0 HB THR A 44 -6.053 2.447 16.945 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.305 2.644 17.422 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.890 1.437 19.041 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.253 2.096 19.268 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.664 2.987 19.885 1.00 0.00 H new ATOM 718 N PHE A 45 -3.387 4.386 18.789 1.00 0.00 N ATOM 719 CA PHE A 45 -2.007 4.011 18.902 1.00 0.00 C ATOM 720 C PHE A 45 -1.947 2.768 19.753 1.00 0.00 C ATOM 721 O PHE A 45 -2.393 2.777 20.896 1.00 0.00 O ATOM 722 CB PHE A 45 -1.091 5.102 19.484 1.00 0.00 C ATOM 723 CG PHE A 45 -1.119 6.322 18.604 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.264 6.505 17.523 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.022 7.327 18.897 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.342 7.647 16.756 1.00 0.00 C ATOM 727 CE2 PHE A 45 -2.104 8.463 18.119 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.268 8.625 17.037 1.00 0.00 C ATOM 0 H PHE A 45 -3.726 4.974 19.550 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.626 3.841 17.895 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.417 5.363 20.491 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.071 4.726 19.566 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.466 5.747 17.283 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.675 7.221 19.751 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.333 7.776 15.923 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.827 9.229 18.359 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.338 9.507 16.418 1.00 0.00 H new ATOM 738 N ILE A 46 -1.405 1.663 19.187 1.00 0.00 N ATOM 739 CA ILE A 46 -1.372 0.361 19.795 1.00 0.00 C ATOM 740 C ILE A 46 -0.045 0.273 20.473 1.00 0.00 C ATOM 741 O ILE A 46 0.948 0.787 19.974 1.00 0.00 O ATOM 742 CB ILE A 46 -1.317 -0.783 18.787 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.239 -0.677 17.546 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.484 -2.129 19.505 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.722 -0.417 17.800 1.00 0.00 C ATOM 0 H ILE A 46 -0.971 1.681 18.264 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.262 0.265 20.416 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.323 -0.704 18.347 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.860 0.123 16.910 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.151 -1.604 16.979 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.443 -2.938 18.776 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.682 -2.255 20.232 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.446 -2.151 20.018 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.251 -0.366 16.848 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.135 -1.226 18.402 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.840 0.527 18.332 1.00 0.00 H new ATOM 757 N HIS A 47 -0.010 -0.411 21.625 1.00 0.00 N ATOM 758 CA HIS A 47 1.131 -0.518 22.485 1.00 0.00 C ATOM 759 C HIS A 47 1.278 -1.960 22.851 1.00 0.00 C ATOM 760 O HIS A 47 0.329 -2.587 23.329 1.00 0.00 O ATOM 761 CB HIS A 47 0.963 0.207 23.820 1.00 0.00 C ATOM 762 CG HIS A 47 0.186 1.479 23.718 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.509 2.495 22.850 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.869 1.932 24.447 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.344 3.510 23.098 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.198 3.217 24.058 1.00 0.00 N ATOM 0 H HIS A 47 -0.820 -0.919 21.980 1.00 0.00 H new ATOM 0 HA HIS A 47 1.973 -0.085 21.945 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.464 -0.458 24.524 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.948 0.425 24.232 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.252 2.483 22.151 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.376 1.370 25.217 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.329 4.453 22.571 1.00 0.00 H new ATOM 774 N GLY A 48 2.492 -2.510 22.672 1.00 0.00 N ATOM 775 CA GLY A 48 2.716 -3.863 23.081 1.00 0.00 C ATOM 776 C GLY A 48 3.921 -4.339 22.360 1.00 0.00 C ATOM 777 O GLY A 48 4.942 -3.653 22.328 1.00 0.00 O ATOM 0 H GLY A 48 3.296 -2.037 22.258 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.864 -3.921 24.159 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.853 -4.486 22.844 1.00 0.00 H new ATOM 781 N ASN A 49 3.812 -5.546 21.767 1.00 0.00 N ATOM 782 CA ASN A 49 4.848 -6.101 20.948 1.00 0.00 C ATOM 783 C ASN A 49 4.303 -6.179 19.569 1.00 0.00 C ATOM 784 O ASN A 49 3.130 -6.486 19.355 1.00 0.00 O ATOM 785 CB ASN A 49 5.260 -7.531 21.333 1.00 0.00 C ATOM 786 CG ASN A 49 6.268 -7.481 22.478 1.00 0.00 C ATOM 787 OD1 ASN A 49 5.954 -7.088 23.607 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.525 -7.908 22.147 1.00 0.00 N ATOM 0 H ASN A 49 2.991 -6.145 21.858 1.00 0.00 H new ATOM 0 HA ASN A 49 5.726 -5.465 21.062 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.383 -8.105 21.632 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.696 -8.039 20.473 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.264 -7.913 22.850 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.723 -8.221 21.197 1.00 0.00 H new ATOM 795 N LYS A 50 5.194 -5.943 18.581 1.00 0.00 N ATOM 796 CA LYS A 50 4.829 -6.010 17.197 1.00 0.00 C ATOM 797 C LYS A 50 4.908 -7.440 16.757 1.00 0.00 C ATOM 798 O LYS A 50 4.402 -7.794 15.695 1.00 0.00 O ATOM 799 CB LYS A 50 5.823 -5.316 16.243 1.00 0.00 C ATOM 800 CG LYS A 50 6.263 -3.913 16.663 1.00 0.00 C ATOM 801 CD LYS A 50 7.404 -3.314 15.829 1.00 0.00 C ATOM 802 CE LYS A 50 7.004 -3.062 14.377 1.00 0.00 C ATOM 803 NZ LYS A 50 8.112 -2.420 13.638 1.00 0.00 N ATOM 0 H LYS A 50 6.172 -5.705 18.745 1.00 0.00 H new ATOM 0 HA LYS A 50 3.848 -5.538 17.142 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.709 -5.944 16.149 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.369 -5.255 15.254 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.403 -3.246 16.606 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.574 -3.943 17.707 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.725 -2.376 16.281 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.260 -3.989 15.854 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.738 -4.004 13.898 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.119 -2.426 14.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.823 -2.256 12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.347 -1.511 14.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.946 -3.041 13.655 1.00 0.00 H new ATOM 817 N ARG A 51 5.577 -8.287 17.573 1.00 0.00 N ATOM 818 CA ARG A 51 5.698 -9.698 17.355 1.00 0.00 C ATOM 819 C ARG A 51 4.397 -10.344 17.688 1.00 0.00 C ATOM 820 O ARG A 51 3.988 -11.308 17.041 1.00 0.00 O ATOM 821 CB ARG A 51 6.762 -10.347 18.258 1.00 0.00 C ATOM 822 CG ARG A 51 8.157 -9.727 18.096 1.00 0.00 C ATOM 823 CD ARG A 51 9.200 -10.337 19.037 1.00 0.00 C ATOM 824 NE ARG A 51 9.351 -11.782 18.698 1.00 0.00 N ATOM 825 CZ ARG A 51 10.185 -12.585 19.422 1.00 0.00 C ATOM 826 NH1 ARG A 51 10.898 -12.076 20.467 1.00 0.00 N ATOM 827 NH2 ARG A 51 10.302 -13.906 19.097 1.00 0.00 N ATOM 0 H ARG A 51 6.052 -7.972 18.419 1.00 0.00 H new ATOM 0 HA ARG A 51 5.986 -9.838 16.313 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.450 -10.256 19.298 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.817 -11.412 18.034 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.487 -9.856 17.065 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.095 -8.654 18.279 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.154 -9.821 18.931 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.888 -10.221 20.075 1.00 0.00 H new ATOM 0 HE ARG A 51 8.825 -12.174 17.917 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.810 -11.090 20.712 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.519 -12.681 21.004 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.768 -14.288 18.317 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.924 -14.510 19.634 1.00 0.00 H new ATOM 841 N SER A 52 3.725 -9.798 18.723 1.00 0.00 N ATOM 842 CA SER A 52 2.436 -10.218 19.153 1.00 0.00 C ATOM 843 C SER A 52 1.400 -9.790 18.173 1.00 0.00 C ATOM 844 O SER A 52 0.464 -10.551 17.963 1.00 0.00 O ATOM 845 CB SER A 52 2.075 -9.704 20.545 1.00 0.00 C ATOM 846 OG SER A 52 2.925 -10.298 21.514 1.00 0.00 O ATOM 0 H SER A 52 4.103 -9.031 19.279 1.00 0.00 H new ATOM 0 HA SER A 52 2.467 -11.306 19.211 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.173 -8.619 20.578 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.034 -9.937 20.770 1.00 0.00 H new ATOM 0 HG SER A 52 2.690 -9.963 22.405 1.00 0.00 H new ATOM 852 N ILE A 53 1.543 -8.584 17.568 1.00 0.00 N ATOM 853 CA ILE A 53 0.671 -8.098 16.517 1.00 0.00 C ATOM 854 C ILE A 53 0.620 -9.047 15.347 1.00 0.00 C ATOM 855 O ILE A 53 -0.460 -9.499 14.963 1.00 0.00 O ATOM 856 CB ILE A 53 1.061 -6.689 16.071 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.645 -5.655 17.138 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.498 -6.298 14.690 1.00 0.00 C ATOM 859 CD1 ILE A 53 -0.868 -5.473 17.228 1.00 0.00 C ATOM 0 H ILE A 53 2.284 -7.927 17.814 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.334 -8.045 16.936 1.00 0.00 H new ATOM 0 HB ILE A 53 2.146 -6.691 15.964 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.027 -5.969 18.110 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.109 -4.696 16.908 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.816 -5.286 14.441 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.870 -6.991 13.936 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.591 -6.340 14.716 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.101 -4.734 17.995 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.251 -5.131 16.267 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.334 -6.424 17.487 1.00 0.00 H new ATOM 871 N LYS A 54 1.797 -9.367 14.776 1.00 0.00 N ATOM 872 CA LYS A 54 1.942 -10.257 13.643 1.00 0.00 C ATOM 873 C LYS A 54 1.399 -11.635 13.908 1.00 0.00 C ATOM 874 O LYS A 54 0.749 -12.216 13.034 1.00 0.00 O ATOM 875 CB LYS A 54 3.397 -10.455 13.189 1.00 0.00 C ATOM 876 CG LYS A 54 4.030 -9.194 12.588 1.00 0.00 C ATOM 877 CD LYS A 54 5.482 -9.425 12.148 1.00 0.00 C ATOM 878 CE LYS A 54 6.195 -8.154 11.674 1.00 0.00 C ATOM 879 NZ LYS A 54 6.401 -7.222 12.805 1.00 0.00 N ATOM 0 H LYS A 54 2.687 -8.996 15.110 1.00 0.00 H new ATOM 0 HA LYS A 54 1.371 -9.752 12.864 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.994 -10.780 14.041 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.433 -11.256 12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.441 -8.867 11.731 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.999 -8.389 13.322 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.040 -9.854 12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.495 -10.159 11.343 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.156 -8.413 11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.605 -7.667 10.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.251 -6.649 12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.574 -6.597 12.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.522 -7.764 13.684 1.00 0.00 H new ATOM 893 N ALA A 55 1.633 -12.162 15.141 1.00 0.00 N ATOM 894 CA ALA A 55 1.197 -13.466 15.578 1.00 0.00 C ATOM 895 C ALA A 55 -0.284 -13.678 15.551 1.00 0.00 C ATOM 896 O ALA A 55 -0.695 -14.832 15.570 1.00 0.00 O ATOM 897 CB ALA A 55 1.588 -13.811 17.027 1.00 0.00 C ATOM 0 H ALA A 55 2.148 -11.655 15.861 1.00 0.00 H new ATOM 0 HA ALA A 55 1.706 -14.098 14.850 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.222 -14.807 17.275 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.673 -13.788 17.126 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.146 -13.083 17.707 1.00 0.00 H new ATOM 903 N ILE A 56 -1.117 -12.606 15.512 1.00 0.00 N ATOM 904 CA ILE A 56 -2.552 -12.732 15.549 1.00 0.00 C ATOM 905 C ILE A 56 -3.069 -13.310 14.257 1.00 0.00 C ATOM 906 O ILE A 56 -4.117 -13.955 14.259 1.00 0.00 O ATOM 907 CB ILE A 56 -3.257 -11.412 15.800 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.741 -10.688 17.053 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.786 -11.577 15.926 1.00 0.00 C ATOM 910 CD1 ILE A 56 -3.035 -9.191 16.989 1.00 0.00 C ATOM 0 H ILE A 56 -0.789 -11.642 15.454 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.771 -13.399 16.383 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.029 -10.806 14.923 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.208 -11.115 17.941 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.667 -10.846 17.151 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.243 -10.604 16.105 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.183 -12.001 15.004 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.013 -12.243 16.758 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.658 -8.707 17.890 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.546 -8.761 16.115 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.111 -9.034 16.917 1.00 0.00 H new ATOM 922 N CYS A 57 -2.344 -13.117 13.121 1.00 0.00 N ATOM 923 CA CYS A 57 -2.825 -13.629 11.849 1.00 0.00 C ATOM 924 C CYS A 57 -2.595 -15.117 11.716 1.00 0.00 C ATOM 925 O CYS A 57 -3.162 -15.770 10.840 1.00 0.00 O ATOM 926 CB CYS A 57 -2.305 -12.913 10.579 1.00 0.00 C ATOM 927 SG CYS A 57 -3.432 -13.214 9.172 1.00 0.00 S ATOM 0 H CYS A 57 -1.453 -12.623 13.079 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.892 -13.408 11.892 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.223 -11.842 10.765 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.305 -13.271 10.335 1.00 0.00 H new ATOM 932 N GLU A 58 -1.785 -15.702 12.625 1.00 0.00 N ATOM 933 CA GLU A 58 -1.666 -17.126 12.776 1.00 0.00 C ATOM 934 C GLU A 58 -2.811 -17.619 13.610 1.00 0.00 C ATOM 935 O GLU A 58 -3.673 -16.860 14.055 1.00 0.00 O ATOM 936 CB GLU A 58 -0.357 -17.536 13.486 1.00 0.00 C ATOM 937 CG GLU A 58 0.902 -16.885 12.893 1.00 0.00 C ATOM 938 CD GLU A 58 1.007 -17.239 11.415 1.00 0.00 C ATOM 939 OE1 GLU A 58 1.112 -18.455 11.101 1.00 0.00 O ATOM 940 OE2 GLU A 58 0.987 -16.294 10.581 1.00 0.00 O ATOM 0 H GLU A 58 -1.199 -15.173 13.270 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.667 -17.561 11.777 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.429 -17.271 14.541 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.252 -18.620 13.436 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.858 -15.803 13.017 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.788 -17.231 13.425 1.00 0.00 H new ATOM 947 N ASN A 59 -2.815 -18.942 13.853 1.00 0.00 N ATOM 948 CA ASN A 59 -3.801 -19.604 14.670 1.00 0.00 C ATOM 949 C ASN A 59 -3.551 -19.299 16.121 1.00 0.00 C ATOM 950 O ASN A 59 -4.480 -19.269 16.928 1.00 0.00 O ATOM 951 CB ASN A 59 -3.791 -21.132 14.468 1.00 0.00 C ATOM 952 CG ASN A 59 -4.982 -21.771 15.183 1.00 0.00 C ATOM 953 OD1 ASN A 59 -6.144 -21.434 14.918 1.00 0.00 O ATOM 954 ND2 ASN A 59 -4.668 -22.730 16.107 1.00 0.00 N ATOM 0 H ASN A 59 -2.113 -19.576 13.472 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.778 -19.229 14.365 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.830 -21.365 13.404 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.861 -21.550 14.852 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.410 -23.208 16.618 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.692 -22.967 16.284 1.00 0.00 H new ATOM 961 N LYS A 60 -2.269 -19.047 16.464 1.00 0.00 N ATOM 962 CA LYS A 60 -1.859 -18.590 17.760 1.00 0.00 C ATOM 963 C LYS A 60 -2.249 -17.141 17.874 1.00 0.00 C ATOM 964 O LYS A 60 -2.382 -16.447 16.871 1.00 0.00 O ATOM 965 CB LYS A 60 -0.325 -18.743 17.921 1.00 0.00 C ATOM 966 CG LYS A 60 0.267 -18.464 19.316 1.00 0.00 C ATOM 967 CD LYS A 60 -0.305 -19.350 20.432 1.00 0.00 C ATOM 968 CE LYS A 60 0.326 -19.059 21.796 1.00 0.00 C ATOM 969 NZ LYS A 60 -0.281 -19.918 22.835 1.00 0.00 N ATOM 0 H LYS A 60 -1.491 -19.166 15.815 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.339 -19.179 18.542 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.055 -19.760 17.637 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.158 -18.074 17.209 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.347 -18.604 19.274 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.090 -17.419 19.571 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.383 -19.199 20.495 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.144 -20.398 20.178 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.401 -19.234 21.752 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.184 -18.009 22.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.156 -19.711 23.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.303 -19.731 22.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.124 -20.918 22.594 1.00 0.00 H new ATOM 983 N ASN A 61 -2.440 -16.673 19.130 1.00 0.00 N ATOM 984 CA ASN A 61 -2.651 -15.305 19.538 1.00 0.00 C ATOM 985 C ASN A 61 -3.886 -14.630 18.989 1.00 0.00 C ATOM 986 O ASN A 61 -3.961 -13.403 18.963 1.00 0.00 O ATOM 987 CB ASN A 61 -1.411 -14.429 19.253 1.00 0.00 C ATOM 988 CG ASN A 61 -1.234 -13.388 20.359 1.00 0.00 C ATOM 989 OD1 ASN A 61 -1.080 -13.740 21.534 1.00 0.00 O ATOM 990 ND2 ASN A 61 -1.237 -12.083 19.955 1.00 0.00 N ATOM 0 H ASN A 61 -2.447 -17.307 19.929 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.821 -15.390 20.611 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.521 -15.056 19.188 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.522 -13.931 18.290 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.107 -11.337 20.639 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.369 -11.854 18.970 1.00 0.00 H new ATOM 997 N GLY A 62 -4.909 -15.389 18.545 1.00 0.00 N ATOM 998 CA GLY A 62 -6.057 -14.739 17.989 1.00 0.00 C ATOM 999 C GLY A 62 -6.944 -15.773 17.399 1.00 0.00 C ATOM 1000 O GLY A 62 -6.619 -16.959 17.403 1.00 0.00 O ATOM 0 H GLY A 62 -4.943 -16.408 18.568 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.587 -14.181 18.761 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.754 -14.021 17.227 1.00 0.00 H new ATOM 1004 N ASN A 63 -8.103 -15.319 16.878 1.00 0.00 N ATOM 1005 CA ASN A 63 -9.067 -16.194 16.281 1.00 0.00 C ATOM 1006 C ASN A 63 -9.638 -15.414 15.129 1.00 0.00 C ATOM 1007 O ASN A 63 -9.559 -14.188 15.194 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.195 -16.636 17.249 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.904 -15.441 17.899 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -11.942 -14.973 17.418 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -10.335 -14.976 19.054 1.00 0.00 N ATOM 0 H ASN A 63 -8.373 -14.335 16.872 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.588 -17.125 15.978 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.924 -17.236 16.704 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.775 -17.274 18.027 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.769 -14.206 19.562 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.477 -15.400 19.406 1.00 0.00 H new ATOM 1018 N PRO A 64 -10.212 -16.027 14.092 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.709 -15.305 12.946 1.00 0.00 C ATOM 1020 C PRO A 64 -11.959 -14.567 13.318 1.00 0.00 C ATOM 1021 O PRO A 64 -12.720 -15.043 14.161 1.00 0.00 O ATOM 1022 CB PRO A 64 -11.043 -16.381 11.914 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.088 -17.522 12.250 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.970 -17.426 13.771 1.00 0.00 C ATOM 0 HA PRO A 64 -9.987 -14.579 12.572 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.084 -16.696 11.988 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.891 -16.020 10.897 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.484 -18.487 11.935 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.122 -17.399 11.760 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.697 -18.073 14.263 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.983 -17.741 14.109 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.173 -13.403 12.674 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.287 -12.555 12.963 1.00 0.00 C ATOM 1034 C HIS A 65 -13.831 -12.156 11.636 1.00 0.00 C ATOM 1035 O HIS A 65 -13.087 -11.657 10.797 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.841 -11.292 13.731 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.931 -10.310 14.035 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -15.043 -10.632 14.765 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.002 -8.988 13.759 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.770 -9.534 14.923 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.159 -8.520 14.325 1.00 0.00 N ATOM 0 H HIS A 65 -11.561 -13.046 11.940 1.00 0.00 H new ATOM 0 HA HIS A 65 -14.020 -13.069 13.585 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.381 -11.601 14.669 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.070 -10.786 13.149 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.282 -8.410 13.198 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.709 -9.475 15.453 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.493 -7.557 14.292 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.154 -12.368 11.442 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.902 -12.005 10.261 1.00 0.00 C ATOM 1052 C ARG A 66 -15.405 -12.717 9.036 1.00 0.00 C ATOM 1053 O ARG A 66 -15.658 -13.908 8.857 1.00 0.00 O ATOM 1054 CB ARG A 66 -15.985 -10.482 9.980 1.00 0.00 C ATOM 1055 CG ARG A 66 -16.574 -9.661 11.137 1.00 0.00 C ATOM 1056 CD ARG A 66 -18.012 -10.028 11.499 1.00 0.00 C ATOM 1057 NE ARG A 66 -18.412 -9.171 12.650 1.00 0.00 N ATOM 1058 CZ ARG A 66 -19.605 -9.367 13.283 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -20.466 -10.333 12.850 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -19.939 -8.592 14.357 1.00 0.00 N ATOM 0 H ARG A 66 -15.736 -12.818 12.149 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.916 -12.332 10.490 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.985 -10.110 9.757 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.591 -10.321 9.089 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.945 -9.792 12.018 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.536 -8.604 10.873 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.676 -9.865 10.650 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.085 -11.083 11.762 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.788 -8.430 12.968 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.219 -10.914 12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.356 -10.474 13.328 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.298 -7.869 14.684 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.830 -8.736 14.832 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.702 -11.979 8.153 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.214 -12.485 6.916 1.00 0.00 C ATOM 1076 C GLU A 67 -13.000 -11.667 6.627 1.00 0.00 C ATOM 1077 O GLU A 67 -13.065 -10.478 6.322 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.224 -12.440 5.744 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.018 -11.133 5.602 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.975 -11.286 4.428 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.869 -12.170 4.502 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -16.824 -10.516 3.442 1.00 0.00 O ATOM 0 H GLU A 67 -14.469 -10.999 8.311 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.006 -13.551 7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.683 -12.618 4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.930 -13.262 5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.570 -10.922 6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.343 -10.294 5.436 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.849 -12.353 6.764 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.485 -11.933 6.513 1.00 0.00 C ATOM 1091 C ASN A 68 -9.998 -10.857 7.445 1.00 0.00 C ATOM 1092 O ASN A 68 -9.056 -10.131 7.128 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.072 -11.677 5.026 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.818 -10.544 4.303 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.774 -10.805 3.562 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.349 -9.274 4.498 1.00 0.00 N ATOM 0 H ASN A 68 -11.872 -13.319 7.090 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.938 -12.844 6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.005 -11.457 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.221 -12.599 4.465 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.791 -8.488 4.021 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.557 -9.113 5.120 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.610 -10.764 8.643 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.132 -9.905 9.683 1.00 0.00 C ATOM 1105 C LEU A 69 -9.768 -10.882 10.729 1.00 0.00 C ATOM 1106 O LEU A 69 -10.092 -12.063 10.618 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.187 -8.967 10.304 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.122 -8.256 9.302 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.218 -7.493 10.065 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.369 -7.331 8.331 1.00 0.00 C ATOM 0 H LEU A 69 -11.447 -11.292 8.891 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.354 -9.246 9.296 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.799 -9.546 10.996 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.671 -8.208 10.892 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.584 -9.025 8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.875 -6.993 9.354 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.799 -8.194 10.665 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.758 -6.751 10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.080 -6.860 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.843 -6.562 8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.650 -7.915 7.756 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.101 -10.409 11.789 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.993 -11.246 12.945 1.00 0.00 C ATOM 1124 C ARG A 70 -8.923 -10.339 14.105 1.00 0.00 C ATOM 1125 O ARG A 70 -8.351 -9.250 14.032 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.813 -12.242 13.098 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.846 -12.476 11.928 1.00 0.00 C ATOM 1128 CD ARG A 70 -5.993 -11.277 11.513 1.00 0.00 C ATOM 1129 NE ARG A 70 -5.690 -10.459 12.716 1.00 0.00 N ATOM 1130 CZ ARG A 70 -4.528 -9.768 12.869 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -3.489 -9.911 12.001 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -4.413 -8.894 13.914 1.00 0.00 N ATOM 0 H ARG A 70 -8.655 -9.494 11.854 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.857 -11.904 12.853 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.218 -11.910 13.949 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.238 -13.209 13.365 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.179 -13.297 12.192 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.425 -12.801 11.064 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.068 -11.616 11.046 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.522 -10.677 10.773 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.385 -10.413 13.461 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.570 -10.550 11.210 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.630 -9.379 12.142 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.190 -8.769 14.562 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.550 -8.367 14.045 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.513 -10.820 15.211 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.467 -10.146 16.461 1.00 0.00 C ATOM 1148 C ILE A 71 -8.365 -10.836 17.198 1.00 0.00 C ATOM 1149 O ILE A 71 -8.095 -12.014 16.966 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.804 -10.243 17.199 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -10.857 -9.330 18.442 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.167 -11.704 17.545 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.277 -9.082 18.958 1.00 0.00 C ATOM 0 H ILE A 71 -10.033 -11.697 15.234 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.286 -9.076 16.359 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.565 -9.877 16.510 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.263 -9.779 19.238 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.395 -8.373 18.200 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.123 -11.727 18.068 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.241 -12.288 16.627 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.393 -12.130 18.184 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.238 -8.433 19.833 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.870 -8.605 18.178 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.736 -10.032 19.232 1.00 0.00 H new ATOM 1165 N SER A 72 -7.706 -10.100 18.113 1.00 0.00 N ATOM 1166 CA SER A 72 -6.702 -10.679 18.973 1.00 0.00 C ATOM 1167 C SER A 72 -7.289 -11.523 20.060 1.00 0.00 C ATOM 1168 O SER A 72 -8.503 -11.640 20.218 1.00 0.00 O ATOM 1169 CB SER A 72 -5.879 -9.631 19.725 1.00 0.00 C ATOM 1170 OG SER A 72 -5.627 -8.529 18.880 1.00 0.00 O ATOM 0 H SER A 72 -7.864 -9.103 18.262 1.00 0.00 H new ATOM 0 HA SER A 72 -6.091 -11.259 18.282 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.415 -9.304 20.616 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.938 -10.066 20.062 1.00 0.00 H new ATOM 0 HG SER A 72 -5.893 -8.752 17.964 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.388 -12.120 20.864 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.788 -12.847 22.027 1.00 0.00 C ATOM 1178 C LYS A 73 -5.749 -12.542 23.061 1.00 0.00 C ATOM 1179 O LYS A 73 -5.754 -13.115 24.149 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.893 -14.370 21.774 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.746 -15.166 22.777 1.00 0.00 C ATOM 1182 CD LYS A 73 -9.228 -14.758 22.791 1.00 0.00 C ATOM 1183 CE LYS A 73 -10.090 -15.627 23.712 1.00 0.00 C ATOM 1184 NZ LYS A 73 -10.112 -17.029 23.237 1.00 0.00 N ATOM 0 H LYS A 73 -5.381 -12.098 20.706 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.787 -12.547 22.343 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.304 -14.524 20.776 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.886 -14.788 21.773 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.673 -16.227 22.540 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.333 -15.034 23.777 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.308 -13.718 23.106 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.622 -14.815 21.776 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.699 -15.588 24.729 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.106 -15.233 23.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.874 -17.547 23.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.278 -17.045 22.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.199 -17.481 23.448 1.00 0.00 H new ATOM 1198 N SER A 74 -4.831 -11.600 22.741 1.00 0.00 N ATOM 1199 CA SER A 74 -3.913 -11.100 23.713 1.00 0.00 C ATOM 1200 C SER A 74 -4.032 -9.631 23.564 1.00 0.00 C ATOM 1201 O SER A 74 -3.392 -9.039 22.702 1.00 0.00 O ATOM 1202 CB SER A 74 -2.452 -11.512 23.486 1.00 0.00 C ATOM 1203 OG SER A 74 -1.612 -10.892 24.449 1.00 0.00 O ATOM 0 H SER A 74 -4.730 -11.191 21.812 1.00 0.00 H new ATOM 0 HA SER A 74 -4.155 -11.496 24.699 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.357 -12.596 23.554 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.138 -11.227 22.482 1.00 0.00 H new ATOM 0 HG SER A 74 -0.683 -11.163 24.296 1.00 0.00 H new ATOM 1209 N SER A 75 -4.901 -9.050 24.411 1.00 0.00 N ATOM 1210 CA SER A 75 -5.251 -7.656 24.440 1.00 0.00 C ATOM 1211 C SER A 75 -4.062 -6.765 24.626 1.00 0.00 C ATOM 1212 O SER A 75 -3.229 -6.968 25.508 1.00 0.00 O ATOM 1213 CB SER A 75 -6.259 -7.346 25.557 1.00 0.00 C ATOM 1214 OG SER A 75 -5.849 -7.961 26.767 1.00 0.00 O ATOM 0 H SER A 75 -5.394 -9.587 25.124 1.00 0.00 H new ATOM 0 HA SER A 75 -5.698 -7.454 23.467 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.339 -6.268 25.697 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.249 -7.705 25.275 1.00 0.00 H new ATOM 0 HG SER A 75 -5.484 -7.282 27.372 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.982 -5.751 23.741 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.881 -4.837 23.665 1.00 0.00 C ATOM 1222 C PHE A 76 -3.350 -3.602 24.333 1.00 0.00 C ATOM 1223 O PHE A 76 -4.551 -3.342 24.401 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.485 -4.422 22.225 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.021 -5.597 21.426 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -2.959 -6.475 20.928 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.678 -5.810 21.132 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.561 -7.611 20.269 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.281 -6.935 20.424 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.230 -7.862 20.044 1.00 0.00 C ATOM 0 H PHE A 76 -4.711 -5.561 23.053 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.012 -5.323 24.110 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.339 -3.958 21.731 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.694 -3.673 22.265 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.011 -6.268 21.057 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.062 -5.094 21.458 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.303 -8.316 19.923 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.759 -7.084 20.173 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.926 -8.784 19.570 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.377 -2.810 24.827 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.639 -1.540 25.424 1.00 0.00 C ATOM 1242 C GLN A 77 -2.881 -0.645 24.273 1.00 0.00 C ATOM 1243 O GLN A 77 -2.227 -0.750 23.245 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.459 -1.104 26.336 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.747 -0.728 27.805 1.00 0.00 C ATOM 1246 CD GLN A 77 -2.902 0.265 27.944 1.00 0.00 C ATOM 1247 OE1 GLN A 77 -3.041 1.223 27.178 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -3.749 0.017 28.990 1.00 0.00 N ATOM 0 H GLN A 77 -1.388 -3.061 24.810 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.497 -1.536 26.096 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.730 -1.914 26.341 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.979 -0.246 25.865 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.980 -1.632 28.368 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.849 -0.299 28.249 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.590 -0.789 29.595 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.539 0.638 29.165 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.888 0.229 24.408 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.349 1.017 23.310 1.00 0.00 C ATOM 1259 C VAL A 78 -4.626 2.351 23.922 1.00 0.00 C ATOM 1260 O VAL A 78 -5.098 2.433 25.052 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.578 0.361 22.701 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.758 1.317 22.431 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.064 -0.340 21.433 1.00 0.00 C ATOM 0 H VAL A 78 -4.387 0.392 25.282 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.640 1.112 22.488 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.023 -0.340 23.407 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.587 0.758 21.997 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.079 1.773 23.368 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.443 2.096 21.737 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.893 -0.840 20.932 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.626 0.398 20.761 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.308 -1.076 21.705 1.00 0.00 H new ATOM 1273 N THR A 79 -4.327 3.438 23.187 1.00 0.00 N ATOM 1274 CA THR A 79 -4.787 4.740 23.569 1.00 0.00 C ATOM 1275 C THR A 79 -5.381 5.274 22.322 1.00 0.00 C ATOM 1276 O THR A 79 -4.675 5.604 21.370 1.00 0.00 O ATOM 1277 CB THR A 79 -3.726 5.674 24.099 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.200 5.147 25.305 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.326 7.056 24.415 1.00 0.00 C ATOM 0 H THR A 79 -3.770 3.417 22.333 1.00 0.00 H new ATOM 0 HA THR A 79 -5.477 4.662 24.409 1.00 0.00 H new ATOM 0 HB THR A 79 -2.950 5.774 23.340 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.536 4.457 25.098 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.544 7.714 24.796 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.751 7.485 23.507 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.109 6.950 25.166 1.00 0.00 H new ATOM 1287 N THR A 80 -6.723 5.356 22.330 1.00 0.00 N ATOM 1288 CA THR A 80 -7.483 5.897 21.249 1.00 0.00 C ATOM 1289 C THR A 80 -7.455 7.381 21.408 1.00 0.00 C ATOM 1290 O THR A 80 -8.179 7.937 22.230 1.00 0.00 O ATOM 1291 CB THR A 80 -8.905 5.392 21.274 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.889 3.973 21.302 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.656 5.858 20.019 1.00 0.00 C ATOM 0 H THR A 80 -7.295 5.036 23.112 1.00 0.00 H new ATOM 0 HA THR A 80 -7.058 5.592 20.293 1.00 0.00 H new ATOM 0 HB THR A 80 -9.409 5.784 22.158 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.809 3.636 21.320 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.680 5.487 20.049 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.665 6.947 19.984 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.156 5.471 19.131 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.603 8.054 20.608 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.505 9.479 20.640 1.00 0.00 C ATOM 1303 C CYS A 81 -7.525 9.960 19.679 1.00 0.00 C ATOM 1304 O CYS A 81 -7.398 9.768 18.472 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.150 10.020 20.176 1.00 0.00 C ATOM 1306 SG CYS A 81 -3.791 9.498 21.261 1.00 0.00 S ATOM 0 H CYS A 81 -5.980 7.605 19.936 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.640 9.816 21.668 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.953 9.677 19.160 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.188 11.109 20.143 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.578 10.578 20.231 1.00 0.00 N ATOM 1312 CA LYS A 82 -9.738 10.919 19.475 1.00 0.00 C ATOM 1313 C LYS A 82 -9.909 12.385 19.664 1.00 0.00 C ATOM 1314 O LYS A 82 -9.601 12.918 20.726 1.00 0.00 O ATOM 1315 CB LYS A 82 -10.997 10.185 19.974 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.214 10.327 19.049 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.402 9.484 19.516 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.600 9.564 18.568 1.00 0.00 C ATOM 1319 NZ LYS A 82 -15.732 8.784 19.109 1.00 0.00 N ATOM 0 H LYS A 82 -8.626 10.845 21.214 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.612 10.632 18.431 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.765 9.126 20.091 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.259 10.565 20.962 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.511 11.375 19.002 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.936 10.029 18.038 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.088 8.444 19.610 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.708 9.815 20.508 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.897 10.604 18.433 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.322 9.182 17.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.628 9.221 18.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.686 7.809 18.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.680 8.772 20.148 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.398 13.062 18.613 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.470 14.494 18.595 1.00 0.00 C ATOM 1335 C LEU A 83 -11.654 15.021 19.347 1.00 0.00 C ATOM 1336 O LEU A 83 -12.699 14.381 19.452 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.508 15.046 17.163 1.00 0.00 C ATOM 1338 CG LEU A 83 -9.346 16.012 16.864 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -8.875 15.895 15.417 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -9.677 17.474 17.159 1.00 0.00 C ATOM 0 H LEU A 83 -10.748 12.615 17.765 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.562 14.835 19.092 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.475 14.216 16.458 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.454 15.563 17.003 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.547 15.707 17.540 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.055 16.592 15.244 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.533 14.878 15.227 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.700 16.132 14.745 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.814 18.097 16.925 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.525 17.785 16.549 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.929 17.584 18.214 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.468 16.250 19.876 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.415 16.996 20.652 1.00 0.00 C ATOM 1354 C HIS A 84 -12.544 18.292 19.955 1.00 0.00 C ATOM 1355 O HIS A 84 -12.581 19.352 20.581 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.893 17.175 22.095 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.917 17.421 23.163 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -13.572 18.606 23.353 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -13.309 16.584 24.149 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -14.345 18.488 24.424 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -14.203 17.269 24.928 1.00 0.00 N ATOM 0 H HIS A 84 -10.591 16.756 19.750 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.380 16.495 20.736 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.330 16.282 22.365 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.191 18.009 22.100 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -13.482 19.438 22.771 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.979 15.566 24.295 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -14.987 19.260 24.822 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.645 18.145 18.617 1.00 0.00 N ATOM 1371 CA GLY A 85 -12.782 19.144 17.599 1.00 0.00 C ATOM 1372 C GLY A 85 -11.958 20.345 17.842 1.00 0.00 C ATOM 1373 O GLY A 85 -10.740 20.365 17.670 1.00 0.00 O ATOM 0 H GLY A 85 -12.628 17.212 18.206 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.507 18.712 16.637 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.829 19.439 17.528 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.695 21.409 18.192 1.00 0.00 N ATOM 1378 CA GLY A 86 -12.220 22.770 18.142 1.00 0.00 C ATOM 1379 C GLY A 86 -12.318 23.340 16.748 1.00 0.00 C ATOM 1380 O GLY A 86 -12.843 24.435 16.550 1.00 0.00 O ATOM 0 H GLY A 86 -13.657 21.329 18.523 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.801 23.385 18.829 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.184 22.807 18.479 1.00 0.00 H new ATOM 1384 N SER A 87 -11.777 22.598 15.762 1.00 0.00 N ATOM 1385 CA SER A 87 -11.628 22.984 14.389 1.00 0.00 C ATOM 1386 C SER A 87 -11.070 21.745 13.741 1.00 0.00 C ATOM 1387 O SER A 87 -10.404 20.976 14.435 1.00 0.00 O ATOM 1388 CB SER A 87 -10.623 24.133 14.167 1.00 0.00 C ATOM 1389 OG SER A 87 -9.396 23.856 14.828 1.00 0.00 O ATOM 0 H SER A 87 -11.418 21.660 15.938 1.00 0.00 H new ATOM 0 HA SER A 87 -12.578 23.343 13.993 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.446 24.268 13.100 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.041 25.067 14.541 1.00 0.00 H new ATOM 0 HG SER A 87 -8.779 23.420 14.204 1.00 0.00 H new ATOM 1395 N PRO A 88 -11.283 21.492 12.454 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.760 20.316 11.805 1.00 0.00 C ATOM 1397 C PRO A 88 -9.359 20.607 11.337 1.00 0.00 C ATOM 1398 O PRO A 88 -8.669 19.660 10.964 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.675 20.087 10.598 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.323 21.446 10.321 1.00 0.00 C ATOM 1401 CD PRO A 88 -12.354 22.114 11.695 1.00 0.00 C ATOM 0 HA PRO A 88 -10.730 19.446 12.461 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.108 19.738 9.735 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.428 19.328 10.813 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.743 22.028 9.605 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.325 21.336 9.906 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.202 23.190 11.612 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.318 21.965 12.182 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.930 21.886 11.322 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.635 22.278 10.854 1.00 0.00 C ATOM 1411 C TRP A 89 -6.754 22.387 12.060 1.00 0.00 C ATOM 1412 O TRP A 89 -7.306 22.520 13.149 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.720 23.640 10.149 1.00 0.00 C ATOM 1414 CG TRP A 89 -8.617 23.539 8.945 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.918 23.923 8.800 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -8.253 22.852 7.738 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -10.383 23.533 7.566 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -9.369 22.869 6.905 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -7.091 22.237 7.364 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.336 22.274 5.676 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -7.061 21.624 6.130 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -8.166 21.644 5.298 1.00 0.00 C ATOM 0 H TRP A 89 -9.501 22.668 11.645 1.00 0.00 H new ATOM 0 HA TRP A 89 -7.242 21.553 10.142 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -8.105 24.392 10.838 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.725 23.965 9.846 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -10.496 24.453 9.542 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -11.320 23.705 7.201 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -6.227 22.232 8.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -10.195 22.295 5.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.161 21.121 5.808 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.113 21.158 4.335 1.00 0.00 H new ATOM 1433 N PRO A 90 -5.428 22.333 11.947 1.00 0.00 N ATOM 1434 CA PRO A 90 -4.567 22.280 13.097 1.00 0.00 C ATOM 1435 C PRO A 90 -4.529 23.670 13.703 1.00 0.00 C ATOM 1436 O PRO A 90 -4.525 24.607 12.905 1.00 0.00 O ATOM 1437 CB PRO A 90 -3.187 21.882 12.559 1.00 0.00 C ATOM 1438 CG PRO A 90 -3.262 22.083 11.044 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.747 21.902 10.741 1.00 0.00 C ATOM 0 HA PRO A 90 -4.898 21.575 13.860 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.403 22.499 12.998 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.954 20.846 12.806 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.909 23.072 10.751 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.651 21.355 10.511 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.051 22.499 9.881 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.979 20.863 10.506 1.00 0.00 H new ATOM 1447 N PRO A 91 -4.486 23.900 15.013 1.00 0.00 N ATOM 1448 CA PRO A 91 -4.287 22.886 16.014 1.00 0.00 C ATOM 1449 C PRO A 91 -5.565 22.190 16.322 1.00 0.00 C ATOM 1450 O PRO A 91 -6.649 22.687 16.022 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.830 23.613 17.266 1.00 0.00 C ATOM 1452 CG PRO A 91 -3.203 24.890 16.729 1.00 0.00 C ATOM 1453 CD PRO A 91 -4.045 25.196 15.490 1.00 0.00 C ATOM 0 HA PRO A 91 -3.567 22.146 15.666 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.665 23.826 17.933 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.112 23.021 17.833 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.250 25.699 17.458 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.152 24.748 16.477 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.892 25.836 15.736 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.460 25.718 14.733 1.00 0.00 H new ATOM 1461 N CYS A 92 -5.399 21.008 16.920 1.00 0.00 N ATOM 1462 CA CYS A 92 -6.442 20.038 17.060 1.00 0.00 C ATOM 1463 C CYS A 92 -6.251 19.408 18.392 1.00 0.00 C ATOM 1464 O CYS A 92 -5.187 18.862 18.672 1.00 0.00 O ATOM 1465 CB CYS A 92 -6.350 18.946 15.981 1.00 0.00 C ATOM 1466 SG CYS A 92 -7.212 19.480 14.474 1.00 0.00 S ATOM 0 H CYS A 92 -4.510 20.710 17.323 1.00 0.00 H new ATOM 0 HA CYS A 92 -7.414 20.521 16.957 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.305 18.734 15.755 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.790 18.020 16.352 1.00 0.00 H new ATOM 1471 N GLN A 93 -7.297 19.490 19.239 1.00 0.00 N ATOM 1472 CA GLN A 93 -7.236 19.033 20.600 1.00 0.00 C ATOM 1473 C GLN A 93 -7.544 17.574 20.626 1.00 0.00 C ATOM 1474 O GLN A 93 -8.686 17.174 20.419 1.00 0.00 O ATOM 1475 CB GLN A 93 -8.252 19.764 21.501 1.00 0.00 C ATOM 1476 CG GLN A 93 -8.161 19.399 22.988 1.00 0.00 C ATOM 1477 CD GLN A 93 -9.126 20.316 23.737 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -10.350 20.172 23.638 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -8.537 21.283 24.503 1.00 0.00 N ATOM 0 H GLN A 93 -8.202 19.880 18.976 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.236 19.238 20.981 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.106 20.839 21.394 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.259 19.542 21.146 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.424 18.353 23.144 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.143 19.530 23.355 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.520 21.352 24.545 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.114 21.936 25.033 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.518 16.747 20.901 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.700 15.328 20.983 1.00 0.00 C ATOM 1490 C TYR A 94 -6.803 14.956 22.425 1.00 0.00 C ATOM 1491 O TYR A 94 -5.872 15.200 23.191 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.502 14.545 20.447 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.479 14.711 18.980 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.361 13.973 18.223 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.582 15.562 18.364 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.367 14.101 16.851 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.617 15.725 16.993 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.504 14.985 16.238 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.495 15.082 14.832 1.00 0.00 O ATOM 0 H TYR A 94 -5.562 17.060 21.067 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.586 15.087 20.396 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.576 14.913 20.888 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.584 13.491 20.712 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.048 13.293 18.705 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.854 16.099 18.954 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.047 13.509 16.256 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.953 16.429 16.514 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.141 14.448 14.456 1.00 0.00 H new ATOM 1509 N ARG A 95 -7.931 14.328 22.815 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.083 13.774 24.131 1.00 0.00 C ATOM 1511 C ARG A 95 -7.806 12.314 24.023 1.00 0.00 C ATOM 1512 O ARG A 95 -8.015 11.715 22.972 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.507 13.904 24.695 1.00 0.00 C ATOM 1514 CG ARG A 95 -9.969 15.355 24.889 1.00 0.00 C ATOM 1515 CD ARG A 95 -9.148 16.141 25.912 1.00 0.00 C ATOM 1516 NE ARG A 95 -9.815 17.460 26.097 1.00 0.00 N ATOM 1517 CZ ARG A 95 -9.314 18.369 26.984 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -8.162 18.104 27.666 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -9.968 19.550 27.187 1.00 0.00 N ATOM 0 H ARG A 95 -8.745 14.203 22.213 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.408 14.316 24.793 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.201 13.399 24.023 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.557 13.386 25.653 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.924 15.871 23.930 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.013 15.354 25.201 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.094 15.602 26.858 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.124 16.274 25.562 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.651 17.685 25.558 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.671 17.223 27.514 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.792 18.787 28.327 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.828 19.751 26.677 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.597 20.231 27.849 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.338 11.709 25.131 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.060 10.302 25.164 1.00 0.00 C ATOM 1535 C ALA A 96 -8.231 9.589 25.744 1.00 0.00 C ATOM 1536 O ALA A 96 -8.829 10.045 26.718 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.887 9.949 26.087 1.00 0.00 C ATOM 0 H ALA A 96 -7.151 12.195 26.008 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.832 10.014 24.138 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.723 8.871 26.071 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.987 10.458 25.742 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.116 10.267 27.104 1.00 0.00 H new ATOM 1543 N THR A 97 -8.550 8.416 25.161 1.00 0.00 N ATOM 1544 CA THR A 97 -9.464 7.479 25.744 1.00 0.00 C ATOM 1545 C THR A 97 -8.690 6.201 25.770 1.00 0.00 C ATOM 1546 O THR A 97 -8.595 5.500 24.764 1.00 0.00 O ATOM 1547 CB THR A 97 -10.747 7.293 24.965 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.355 8.556 24.734 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.720 6.410 25.770 1.00 0.00 C ATOM 0 H THR A 97 -8.165 8.113 24.266 1.00 0.00 H new ATOM 0 HA THR A 97 -9.796 7.829 26.721 1.00 0.00 H new ATOM 0 HB THR A 97 -10.517 6.815 24.013 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.185 8.432 24.228 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.643 6.278 25.206 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.263 5.437 25.951 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.943 6.889 26.723 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.101 5.882 26.942 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.257 4.732 27.082 1.00 0.00 C ATOM 1559 C ALA A 98 -8.091 3.507 27.270 1.00 0.00 C ATOM 1560 O ALA A 98 -9.123 3.536 27.940 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.314 4.827 28.287 1.00 0.00 C ATOM 0 H ALA A 98 -8.212 6.426 27.798 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.661 4.682 26.170 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.700 3.928 28.341 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.670 5.700 28.177 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.900 4.921 29.201 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.631 2.391 26.672 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.295 1.128 26.790 1.00 0.00 C ATOM 1569 C GLY A 99 -7.239 0.075 26.787 1.00 0.00 C ATOM 1570 O GLY A 99 -6.046 0.368 26.747 1.00 0.00 O ATOM 0 H GLY A 99 -6.787 2.365 26.099 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.880 1.085 27.709 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.990 0.979 25.963 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.673 -1.196 26.838 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.779 -2.314 26.832 1.00 0.00 C ATOM 1576 C PHE A 100 -7.623 -3.371 26.198 1.00 0.00 C ATOM 1577 O PHE A 100 -8.413 -4.031 26.872 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.336 -2.708 28.261 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.290 -3.779 28.276 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.984 -3.526 27.888 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.600 -5.022 28.794 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.019 -4.507 27.990 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -4.630 -5.998 28.917 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.339 -5.744 28.506 1.00 0.00 C ATOM 0 H PHE A 100 -8.659 -1.453 26.884 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.841 -2.126 26.309 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.952 -1.825 28.772 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.205 -3.049 28.824 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.719 -2.553 27.502 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.612 -5.233 29.106 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.009 -4.305 27.664 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.883 -6.961 29.336 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.582 -6.510 28.588 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.513 -3.496 24.857 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.522 -4.173 24.087 1.00 0.00 C ATOM 1596 C ARG A 101 -7.834 -5.042 23.091 1.00 0.00 C ATOM 1597 O ARG A 101 -6.709 -4.759 22.685 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.408 -3.199 23.277 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.839 -3.707 23.028 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.474 -3.120 21.758 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.904 -3.554 21.652 1.00 0.00 N ATOM 1602 CZ ARG A 101 -13.278 -4.790 21.201 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -12.351 -5.736 20.875 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.607 -5.079 21.065 1.00 0.00 N ATOM 0 H ARG A 101 -6.733 -3.132 24.309 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.150 -4.724 24.787 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.459 -2.247 23.806 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.931 -3.005 22.316 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.824 -4.794 22.950 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.462 -3.457 23.887 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.417 -2.032 21.782 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.920 -3.449 20.879 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.633 -2.897 21.929 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.357 -5.528 20.966 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -12.652 -6.651 20.541 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.308 -4.376 21.299 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.897 -5.997 20.730 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.537 -6.117 22.665 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.148 -6.928 21.548 1.00 0.00 C ATOM 1620 C ASN A 102 -8.300 -6.097 20.320 1.00 0.00 C ATOM 1621 O ASN A 102 -9.351 -5.499 20.096 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.082 -8.123 21.311 1.00 0.00 C ATOM 1623 CG ASN A 102 -8.967 -9.173 22.414 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -7.971 -9.263 23.140 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -10.038 -10.023 22.496 1.00 0.00 N ATOM 0 H ASN A 102 -9.399 -6.428 23.112 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.138 -7.283 21.753 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.112 -7.771 21.253 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.847 -8.581 20.350 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.039 -10.777 23.183 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.834 -9.902 21.870 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.236 -6.046 19.496 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.223 -5.190 18.348 1.00 0.00 C ATOM 1634 C VAL A 103 -7.711 -5.992 17.173 1.00 0.00 C ATOM 1635 O VAL A 103 -7.133 -7.022 16.825 1.00 0.00 O ATOM 1636 CB VAL A 103 -5.878 -4.504 18.114 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.536 -3.706 19.389 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -4.721 -5.474 17.801 1.00 0.00 C ATOM 0 H VAL A 103 -6.387 -6.596 19.624 1.00 0.00 H new ATOM 0 HA VAL A 103 -7.897 -4.349 18.512 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.982 -3.869 17.234 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.579 -3.202 19.257 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.314 -2.965 19.574 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.473 -4.386 20.238 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.802 -4.907 17.648 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.588 -6.163 18.635 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -4.954 -6.038 16.898 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.817 -5.537 16.540 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.260 -6.148 15.316 1.00 0.00 C ATOM 1650 C VAL A 104 -8.498 -5.428 14.264 1.00 0.00 C ATOM 1651 O VAL A 104 -8.647 -4.216 14.111 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.737 -5.998 14.981 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.052 -6.540 13.567 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.538 -6.814 15.999 1.00 0.00 C ATOM 0 H VAL A 104 -9.394 -4.762 16.868 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.101 -7.223 15.398 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.999 -4.941 15.012 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.115 -6.418 13.359 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.472 -5.987 12.828 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.791 -7.597 13.516 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.602 -6.724 15.781 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.243 -7.862 15.939 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.340 -6.439 17.003 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.665 -6.178 13.513 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.940 -5.580 12.414 1.00 0.00 C ATOM 1666 C VAL A 105 -7.357 -6.407 11.226 1.00 0.00 C ATOM 1667 O VAL A 105 -7.780 -7.550 11.405 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.426 -5.488 12.601 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -5.040 -5.523 14.094 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.602 -6.458 11.745 1.00 0.00 C ATOM 0 H VAL A 105 -7.492 -7.173 13.655 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.189 -4.524 12.304 1.00 0.00 H new ATOM 0 HB VAL A 105 -5.148 -4.510 12.208 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.956 -5.456 14.191 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.504 -4.682 14.609 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.387 -6.456 14.538 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.541 -6.314 11.951 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.882 -7.484 11.985 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.796 -6.267 10.690 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.233 -5.864 9.991 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.437 -6.654 8.802 1.00 0.00 C ATOM 1682 C ALA A 106 -6.102 -7.158 8.363 1.00 0.00 C ATOM 1683 O ALA A 106 -5.168 -6.367 8.229 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.037 -5.885 7.619 1.00 0.00 C ATOM 0 H ALA A 106 -6.994 -4.888 9.816 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.146 -7.438 9.067 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.155 -6.558 6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.010 -5.484 7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.373 -5.066 7.343 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.006 -8.489 8.138 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.792 -9.157 7.742 1.00 0.00 C ATOM 1692 C CYS A 107 -4.906 -9.554 6.309 1.00 0.00 C ATOM 1693 O CYS A 107 -5.931 -10.077 5.874 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.568 -10.462 8.540 1.00 0.00 C ATOM 1695 SG CYS A 107 -3.286 -11.600 7.948 1.00 0.00 S ATOM 0 H CYS A 107 -6.800 -9.122 8.235 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.967 -8.468 7.923 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.327 -10.190 9.568 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.513 -11.005 8.567 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.809 -9.328 5.564 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.638 -9.840 4.240 1.00 0.00 C ATOM 1702 C GLU A 108 -2.282 -10.467 4.273 1.00 0.00 C ATOM 1703 O GLU A 108 -1.358 -9.905 4.856 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.663 -8.725 3.170 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.601 -9.204 1.712 1.00 0.00 C ATOM 1706 CD GLU A 108 -4.796 -10.102 1.427 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -5.951 -9.614 1.557 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.570 -11.290 1.074 1.00 0.00 O ATOM 0 H GLU A 108 -3.018 -8.773 5.892 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.441 -10.527 3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.572 -8.139 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.822 -8.055 3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.604 -8.349 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.673 -9.747 1.535 1.00 0.00 H new ATOM 1715 N ASN A 109 -2.143 -11.653 3.637 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.912 -12.380 3.399 1.00 0.00 C ATOM 1717 C ASN A 109 -0.192 -12.909 4.616 1.00 0.00 C ATOM 1718 O ASN A 109 0.985 -13.258 4.527 1.00 0.00 O ATOM 1719 CB ASN A 109 0.100 -11.717 2.411 1.00 0.00 C ATOM 1720 CG ASN A 109 0.808 -10.435 2.890 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.724 -10.465 3.720 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.385 -9.276 2.295 1.00 0.00 N ATOM 0 H ASN A 109 -2.952 -12.145 3.258 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.328 -13.249 2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.864 -12.454 2.164 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.430 -11.486 1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.830 -8.389 2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.375 -9.300 1.615 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.875 -13.007 5.777 1.00 0.00 N ATOM 1730 CA GLY A 110 -0.261 -13.503 6.978 1.00 0.00 C ATOM 1731 C GLY A 110 0.450 -12.380 7.667 1.00 0.00 C ATOM 1732 O GLY A 110 1.380 -12.611 8.440 1.00 0.00 O ATOM 0 H GLY A 110 -1.854 -12.742 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -1.017 -13.930 7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.441 -14.302 6.739 1.00 0.00 H new ATOM 1736 N LEU A 111 0.016 -11.133 7.393 1.00 0.00 N ATOM 1737 CA LEU A 111 0.623 -9.970 7.971 1.00 0.00 C ATOM 1738 C LEU A 111 -0.567 -9.119 8.234 1.00 0.00 C ATOM 1739 O LEU A 111 -1.513 -9.220 7.466 1.00 0.00 O ATOM 1740 CB LEU A 111 1.439 -9.200 6.917 1.00 0.00 C ATOM 1741 CG LEU A 111 2.373 -8.048 7.326 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.586 -8.392 8.193 1.00 0.00 C ATOM 1743 CD2 LEU A 111 2.852 -7.369 6.037 1.00 0.00 C ATOM 0 H LEU A 111 -0.762 -10.930 6.766 1.00 0.00 H new ATOM 0 HA LEU A 111 1.267 -10.213 8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.048 -9.932 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.729 -8.795 6.196 1.00 0.00 H new ATOM 0 HG LEU A 111 1.774 -7.409 7.975 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.152 -7.485 8.403 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.249 -8.835 9.130 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.222 -9.102 7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.519 -6.544 6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.385 -8.093 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.993 -6.987 5.486 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.606 -8.251 9.200 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.603 -7.218 9.257 1.00 0.00 C ATOM 1757 C PRO A 112 -1.397 -6.248 8.125 1.00 0.00 C ATOM 1758 O PRO A 112 -0.331 -6.220 7.523 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.277 -6.510 10.551 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.718 -7.605 11.456 1.00 0.00 C ATOM 1761 CD PRO A 112 0.016 -8.515 10.478 1.00 0.00 C ATOM 0 HA PRO A 112 -2.621 -7.602 9.194 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -0.549 -5.714 10.395 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.164 -6.050 10.986 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.046 -7.200 12.212 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.510 -8.135 11.985 1.00 0.00 H new ATOM 0 HD2 PRO A 112 1.083 -8.293 10.453 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.085 -9.563 10.759 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.409 -5.430 7.801 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.232 -4.431 6.780 1.00 0.00 C ATOM 1771 C VAL A 113 -3.040 -3.214 7.069 1.00 0.00 C ATOM 1772 O VAL A 113 -2.682 -2.132 6.607 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.569 -4.852 5.360 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.350 -5.530 4.711 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.800 -5.771 5.338 1.00 0.00 C ATOM 0 H VAL A 113 -3.334 -5.451 8.231 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.159 -4.245 6.818 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.817 -3.964 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.599 -5.829 3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.514 -4.831 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.072 -6.411 5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.021 -6.059 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.598 -6.664 5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.656 -5.243 5.759 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.165 -3.352 7.800 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.056 -2.243 7.993 1.00 0.00 C ATOM 1787 C HIS A 114 -5.573 -2.390 9.371 1.00 0.00 C ATOM 1788 O HIS A 114 -5.323 -3.408 10.010 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.279 -2.308 7.069 1.00 0.00 C ATOM 1790 CG HIS A 114 -5.946 -2.452 5.635 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -5.443 -1.482 4.813 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -6.076 -3.571 4.912 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -5.277 -2.015 3.609 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -5.655 -3.286 3.643 1.00 0.00 N ATOM 0 H HIS A 114 -4.456 -4.219 8.252 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.521 -1.314 7.795 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.905 -3.147 7.372 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.872 -1.403 7.204 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -5.233 -0.520 5.078 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -6.445 -4.522 5.266 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -4.896 -1.497 2.741 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.311 -1.367 9.850 1.00 0.00 N ATOM 1804 CA LEU A 115 -6.939 -1.430 11.135 1.00 0.00 C ATOM 1805 C LEU A 115 -8.388 -1.205 10.888 1.00 0.00 C ATOM 1806 O LEU A 115 -8.758 -0.292 10.150 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.450 -0.335 12.105 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.483 -0.723 13.615 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -5.972 -2.093 14.098 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -5.939 0.375 14.537 1.00 0.00 C ATOM 0 H LEU A 115 -6.472 -0.496 9.345 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.707 -2.390 11.596 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.428 -0.065 11.838 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.063 0.555 11.962 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.564 -0.838 13.697 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.083 -2.162 15.180 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.550 -2.885 13.623 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.920 -2.203 13.834 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.991 0.039 15.573 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.902 0.588 14.276 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.536 1.279 14.418 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.240 -2.040 11.516 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.659 -1.845 11.452 1.00 0.00 C ATOM 1824 C ASP A 116 -10.992 -0.886 12.536 1.00 0.00 C ATOM 1825 O ASP A 116 -10.734 -1.160 13.705 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.493 -3.108 11.712 1.00 0.00 C ATOM 1827 CG ASP A 116 -11.327 -4.047 10.528 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -10.225 -4.639 10.383 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -12.308 -4.187 9.749 1.00 0.00 O ATOM 0 H ASP A 116 -8.948 -2.848 12.066 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.897 -1.510 10.442 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.166 -3.595 12.631 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.543 -2.848 11.845 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.591 0.263 12.148 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.917 1.340 13.044 1.00 0.00 C ATOM 1836 C GLN A 117 -13.386 1.290 13.295 1.00 0.00 C ATOM 1837 O GLN A 117 -14.061 2.314 13.237 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.598 2.734 12.459 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.119 2.936 12.106 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.310 2.640 13.364 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.757 1.548 13.517 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.281 3.623 14.306 1.00 0.00 N ATOM 0 H GLN A 117 -11.857 0.448 11.181 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.319 1.210 13.946 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.200 2.888 11.563 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.897 3.496 13.178 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.823 2.272 11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.941 3.956 11.765 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.754 4.510 14.132 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.786 3.472 15.185 1.00 0.00 H new ATOM 1851 N SER A 118 -13.909 0.078 13.565 1.00 0.00 N ATOM 1852 CA SER A 118 -15.278 -0.125 13.929 1.00 0.00 C ATOM 1853 C SER A 118 -15.349 -0.247 15.418 1.00 0.00 C ATOM 1854 O SER A 118 -16.362 0.106 16.021 1.00 0.00 O ATOM 1855 CB SER A 118 -15.889 -1.386 13.293 1.00 0.00 C ATOM 1856 OG SER A 118 -15.074 -2.522 13.545 1.00 0.00 O ATOM 0 H SER A 118 -13.364 -0.784 13.529 1.00 0.00 H new ATOM 0 HA SER A 118 -15.852 0.726 13.562 1.00 0.00 H new ATOM 0 HB2 SER A 118 -16.889 -1.553 13.694 1.00 0.00 H new ATOM 0 HB3 SER A 118 -15.997 -1.241 12.218 1.00 0.00 H new ATOM 0 HG SER A 118 -15.480 -3.314 13.134 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.265 -0.775 16.037 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.252 -1.094 17.440 1.00 0.00 C ATOM 1864 C ILE A 119 -13.715 0.096 18.165 1.00 0.00 C ATOM 1865 O ILE A 119 -13.961 0.282 19.356 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.470 -2.362 17.788 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -11.957 -2.157 18.027 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.679 -3.355 16.635 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -11.151 -3.458 18.067 1.00 0.00 C ATOM 0 H ILE A 119 -13.389 -0.982 15.557 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.272 -1.319 17.750 1.00 0.00 H new ATOM 0 HB ILE A 119 -13.854 -2.726 18.741 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.558 -1.519 17.239 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.817 -1.626 18.968 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.135 -4.276 16.845 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.742 -3.576 16.533 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -13.309 -2.919 15.707 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -10.099 -3.229 18.238 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -11.521 -4.091 18.874 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -11.258 -3.982 17.117 1.00 0.00 H new ATOM 1881 N PHE A 120 -12.940 0.919 17.425 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.213 2.026 17.962 1.00 0.00 C ATOM 1883 C PHE A 120 -12.959 3.281 17.667 1.00 0.00 C ATOM 1884 O PHE A 120 -12.575 4.356 18.126 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.835 2.170 17.318 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.016 0.953 17.594 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -9.585 0.676 18.876 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.661 0.099 16.567 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -8.777 -0.419 19.121 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.831 -0.977 16.801 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.376 -1.226 18.078 1.00 0.00 C ATOM 0 H PHE A 120 -12.818 0.806 16.419 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.097 1.852 19.032 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -10.940 2.312 16.242 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.332 3.054 17.709 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -9.881 1.318 19.692 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.038 0.276 15.570 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -8.460 -0.642 20.129 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -8.538 -1.623 15.986 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.706 -2.053 18.261 1.00 0.00 H new ATOM 1901 N ARG A 121 -14.058 3.150 16.892 1.00 0.00 N ATOM 1902 CA ARG A 121 -14.975 4.228 16.632 1.00 0.00 C ATOM 1903 C ARG A 121 -15.702 4.551 17.895 1.00 0.00 C ATOM 1904 O ARG A 121 -15.907 5.720 18.218 1.00 0.00 O ATOM 1905 CB ARG A 121 -16.035 3.888 15.561 1.00 0.00 C ATOM 1906 CG ARG A 121 -16.827 5.084 15.000 1.00 0.00 C ATOM 1907 CD ARG A 121 -15.971 6.162 14.316 1.00 0.00 C ATOM 1908 NE ARG A 121 -15.153 5.515 13.246 1.00 0.00 N ATOM 1909 CZ ARG A 121 -14.334 6.260 12.448 1.00 0.00 C ATOM 1910 NH1 ARG A 121 -14.284 7.618 12.586 1.00 0.00 N ATOM 1911 NH2 ARG A 121 -13.557 5.645 11.508 1.00 0.00 N ATOM 0 H ARG A 121 -14.316 2.275 16.435 1.00 0.00 H new ATOM 0 HA ARG A 121 -14.380 5.063 16.262 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -15.538 3.384 14.732 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -16.742 3.177 15.989 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.559 4.712 14.283 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.385 5.546 15.814 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -16.608 6.936 13.889 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -15.323 6.649 15.045 1.00 0.00 H new ATOM 0 HE ARG A 121 -15.207 4.505 13.111 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -14.861 8.081 13.289 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -13.670 8.169 11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -13.590 4.631 11.403 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -12.944 6.200 10.911 1.00 0.00 H new ATOM 1925 N ARG A 122 -16.096 3.490 18.626 1.00 0.00 N ATOM 1926 CA ARG A 122 -16.634 3.609 19.947 1.00 0.00 C ATOM 1927 C ARG A 122 -15.445 3.900 20.830 1.00 0.00 C ATOM 1928 O ARG A 122 -14.532 3.075 20.850 1.00 0.00 O ATOM 1929 CB ARG A 122 -17.303 2.299 20.410 1.00 0.00 C ATOM 1930 CG ARG A 122 -18.012 2.398 21.768 1.00 0.00 C ATOM 1931 CD ARG A 122 -18.761 1.110 22.126 1.00 0.00 C ATOM 1932 NE ARG A 122 -19.390 1.284 23.472 1.00 0.00 N ATOM 1933 CZ ARG A 122 -20.650 1.793 23.630 1.00 0.00 C ATOM 1934 NH1 ARG A 122 -21.387 2.191 22.553 1.00 0.00 N ATOM 1935 NH2 ARG A 122 -21.175 1.907 24.885 1.00 0.00 N ATOM 0 H ARG A 122 -16.039 2.528 18.291 1.00 0.00 H new ATOM 0 HA ARG A 122 -17.399 4.384 19.986 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -18.027 1.989 19.657 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -16.545 1.517 20.465 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -17.278 2.617 22.544 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -18.714 3.231 21.749 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -19.523 0.895 21.377 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -18.075 0.263 22.135 1.00 0.00 H new ATOM 0 HE ARG A 122 -18.861 1.014 24.301 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -21.000 2.111 21.613 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -22.325 2.568 22.688 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -20.629 1.614 25.695 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -22.114 2.285 25.013 1.00 0.00 H new ATOM 1949 N PRO A 123 -15.366 5.018 21.537 1.00 0.00 N ATOM 1950 CA PRO A 123 -14.137 5.471 22.121 1.00 0.00 C ATOM 1951 C PRO A 123 -13.851 4.553 23.277 1.00 0.00 C ATOM 1952 O PRO A 123 -14.741 4.377 24.153 1.00 0.00 O ATOM 1953 CB PRO A 123 -14.425 6.907 22.575 1.00 0.00 C ATOM 1954 CG PRO A 123 -15.947 6.979 22.735 1.00 0.00 C ATOM 1955 CD PRO A 123 -16.451 5.970 21.703 1.00 0.00 C ATOM 1956 OXT PRO A 123 -12.712 4.010 23.322 1.00 0.00 O ATOM 0 HA PRO A 123 -13.273 5.461 21.456 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -13.919 7.132 23.514 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -14.071 7.631 21.841 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -16.259 6.713 23.745 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -16.326 7.982 22.537 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.359 5.475 22.047 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -16.693 6.460 20.760 1.00 0.00 H new TER 1964 PRO A 123