USER MOD reduce.3.24.130724 H: found=0, std=0, add=1371, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1374 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 41 GLN : amide:sc= -3.28! C(o=-3.5!,f=-5.6!) USER MOD Set 1.2: A 51 MET CE :methyl -142:sc= -0.0123 (180deg=-2.38) USER MOD Set 1.3: B 529 MET CE :methyl 147:sc= -0.161 (180deg=-2.06!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ -134:sc= 0.814 (180deg=-1.6) USER MOD Set 2.2: A 34 THR OG1 : rot 82:sc= 1.33 USER MOD Set 3.1: A 5 THR OG1 : rot 87:sc= 0.63 USER MOD Set 3.2: A 8 GLN :FLIP amide:sc= 0.925 F(o=-5.7!,f=1.6) USER MOD Set 4.1: A 3 GLN : amide:sc= 0 X(o=-0.079,f=-0.079) USER MOD Set 4.2: A 76 MET CE :methyl -138:sc= -0.0789 (180deg=-0.106) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -165:sc= -0.881 USER MOD Single : A 28 THR OG1 : rot 106:sc= 1.08 USER MOD Single : A 29 THR OG1 : rot -130:sc= -1.73! USER MOD Single : A 30 LYS NZ :NH3+ -100:sc= -2.54! (180deg=-5.65!) USER MOD Single : A 36 MET CE :methyl -170:sc= 0 (180deg=-0.133) USER MOD Single : A 38 SER OG : rot -98:sc= 1.25 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -165:sc= -1.19 USER MOD Single : A 49 GLN :FLIP amide:sc= 1.12 F(o=-0.22,f=1.1) USER MOD Single : A 53 ASN : amide:sc= 0.101 X(o=0.1,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 62 THR OG1 : rot 113:sc= 0.554 USER MOD Single : A 70 THR OG1 : rot -149:sc= -1.11 USER MOD Single : A 71 MET CE :methyl 170:sc= 0 (180deg=-0.103) USER MOD Single : A 72 MET CE :methyl -170:sc= -0.721 (180deg=-1.19) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= -2.16! (180deg=-2.24!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -32:sc= 0.063 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.918 F(o=-2.6!,f=-0.92) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0417 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 109 MET CE :methyl -136:sc= -0.581 (180deg=-3.99!) USER MOD Single : A 110 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0465) USER MOD Single : A 117 THR OG1 : rot -102:sc= -0.0868 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN :FLIP amide:sc= -2.94! C(o=-5.1!,f=-2.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -155:sc= -6.13! (180deg=-8.38!) USER MOD Single : A 145 MET CE :methyl -104:sc= -2.28 (180deg=-5.63!) USER MOD Single : A 146 THR OG1 : rot -60:sc= -1.28! USER MOD Single : A 148 LYS NZ :NH3+ 163:sc= 0.751 (180deg=0.585) USER MOD Single : B 505 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ 163:sc= -0.375 (180deg=-1.05) USER MOD Single : B 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 526 CYS SG : rot -40:sc= -3.88! USER MOD Single : B 527 MET CE :methyl 178:sc= -2.7! (180deg=-2.79!) USER MOD Single : B 531 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.428 -20.483 5.802 1.00 7.80 N ATOM 2 CA ALA A 1 6.790 -19.235 6.294 1.00 7.39 C ATOM 3 C ALA A 1 7.699 -18.031 6.070 1.00 6.58 C ATOM 4 O ALA A 1 8.885 -18.069 6.408 1.00 6.72 O ATOM 5 CB ALA A 1 6.444 -19.367 7.769 1.00 7.99 C ATOM 0 H1 ALA A 1 6.789 -21.287 5.966 1.00 7.80 H new ATOM 0 H2 ALA A 1 7.621 -20.396 4.784 1.00 7.80 H new ATOM 0 H3 ALA A 1 8.321 -20.641 6.311 1.00 7.80 H new ATOM 0 HA ALA A 1 5.872 -19.077 5.728 1.00 7.39 H new ATOM 0 HB1 ALA A 1 5.977 -18.446 8.117 1.00 7.99 H new ATOM 0 HB2 ALA A 1 5.753 -20.199 7.908 1.00 7.99 H new ATOM 0 HB3 ALA A 1 7.353 -19.551 8.341 1.00 7.99 H new ATOM 13 N ASP A 2 7.127 -16.967 5.497 1.00 6.04 N ATOM 14 CA ASP A 2 7.870 -15.737 5.216 1.00 5.55 C ATOM 15 C ASP A 2 7.139 -14.512 5.778 1.00 4.87 C ATOM 16 O ASP A 2 7.771 -13.613 6.341 1.00 5.13 O ATOM 17 CB ASP A 2 8.085 -15.583 3.703 1.00 5.87 C ATOM 18 CG ASP A 2 9.313 -14.755 3.364 1.00 6.52 C ATOM 19 OD1 ASP A 2 9.178 -13.521 3.231 1.00 7.04 O ATOM 20 OD2 ASP A 2 10.407 -15.343 3.234 1.00 6.78 O ATOM 0 H ASP A 2 6.146 -16.935 5.218 1.00 6.04 H new ATOM 0 HA ASP A 2 8.841 -15.805 5.707 1.00 5.55 H new ATOM 0 HB2 ASP A 2 8.183 -16.571 3.252 1.00 5.87 H new ATOM 0 HB3 ASP A 2 7.205 -15.116 3.261 1.00 5.87 H new ATOM 25 N GLN A 3 5.808 -14.490 5.621 1.00 4.34 N ATOM 26 CA GLN A 3 4.982 -13.382 6.106 1.00 3.83 C ATOM 27 C GLN A 3 3.824 -13.909 6.965 1.00 2.55 C ATOM 28 O GLN A 3 2.716 -14.131 6.471 1.00 2.57 O ATOM 29 CB GLN A 3 4.453 -12.551 4.923 1.00 4.64 C ATOM 30 CG GLN A 3 5.532 -11.783 4.169 1.00 5.89 C ATOM 31 CD GLN A 3 4.962 -10.888 3.086 1.00 6.86 C ATOM 32 OE1 GLN A 3 4.645 -9.724 3.330 1.00 7.41 O ATOM 33 NE2 GLN A 3 4.829 -11.429 1.880 1.00 7.35 N ATOM 0 H GLN A 3 5.281 -15.232 5.160 1.00 4.34 H new ATOM 0 HA GLN A 3 5.599 -12.735 6.730 1.00 3.83 H new ATOM 0 HB2 GLN A 3 3.941 -13.215 4.227 1.00 4.64 H new ATOM 0 HB3 GLN A 3 3.710 -11.844 5.293 1.00 4.64 H new ATOM 0 HG2 GLN A 3 6.101 -11.177 4.874 1.00 5.89 H new ATOM 0 HG3 GLN A 3 6.230 -12.490 3.721 1.00 5.89 H new ATOM 0 HE21 GLN A 3 5.105 -12.398 1.723 1.00 7.35 H new ATOM 0 HE22 GLN A 3 4.451 -10.875 1.111 1.00 7.35 H new ATOM 42 N LEU A 4 4.124 -14.171 8.242 1.00 2.09 N ATOM 43 CA LEU A 4 3.135 -14.682 9.203 1.00 1.43 C ATOM 44 C LEU A 4 2.672 -13.631 10.198 1.00 1.51 C ATOM 45 O LEU A 4 1.477 -13.536 10.492 1.00 1.86 O ATOM 46 CB LEU A 4 3.725 -15.863 9.976 1.00 2.32 C ATOM 47 CG LEU A 4 2.839 -17.122 10.171 1.00 2.86 C ATOM 48 CD1 LEU A 4 1.527 -16.794 10.881 1.00 3.65 C ATOM 49 CD2 LEU A 4 2.571 -17.833 8.845 1.00 3.75 C ATOM 0 H LEU A 4 5.054 -14.036 8.639 1.00 2.09 H new ATOM 0 HA LEU A 4 2.267 -14.990 8.620 1.00 1.43 H new ATOM 0 HB2 LEU A 4 4.638 -16.173 9.467 1.00 2.32 H new ATOM 0 HB3 LEU A 4 4.017 -15.504 10.963 1.00 2.32 H new ATOM 0 HG LEU A 4 3.401 -17.802 10.812 1.00 2.86 H new ATOM 0 HD11 LEU A 4 0.938 -17.704 10.996 1.00 3.65 H new ATOM 0 HD12 LEU A 4 1.740 -16.373 11.863 1.00 3.65 H new ATOM 0 HD13 LEU A 4 0.965 -16.071 10.291 1.00 3.65 H new ATOM 0 HD21 LEU A 4 1.948 -18.710 9.022 1.00 3.75 H new ATOM 0 HD22 LEU A 4 2.057 -17.153 8.165 1.00 3.75 H new ATOM 0 HD23 LEU A 4 3.517 -18.144 8.401 1.00 3.75 H new ATOM 61 N THR A 5 3.626 -12.847 10.718 1.00 1.73 N ATOM 62 CA THR A 5 3.337 -11.821 11.724 1.00 2.05 C ATOM 63 C THR A 5 2.341 -10.777 11.189 1.00 1.66 C ATOM 64 O THR A 5 2.223 -10.573 9.979 1.00 1.15 O ATOM 65 CB THR A 5 4.647 -11.157 12.222 1.00 2.63 C ATOM 66 OG1 THR A 5 5.645 -12.163 12.444 1.00 3.14 O ATOM 67 CG2 THR A 5 4.445 -10.375 13.521 1.00 3.26 C ATOM 0 H THR A 5 4.610 -12.906 10.455 1.00 1.73 H new ATOM 0 HA THR A 5 2.865 -12.308 12.577 1.00 2.05 H new ATOM 0 HB THR A 5 4.965 -10.457 11.449 1.00 2.63 H new ATOM 0 HG1 THR A 5 6.129 -12.334 11.609 1.00 3.14 H new ATOM 0 HG21 THR A 5 5.391 -9.929 13.828 1.00 3.26 H new ATOM 0 HG22 THR A 5 3.708 -9.588 13.361 1.00 3.26 H new ATOM 0 HG23 THR A 5 4.092 -11.050 14.301 1.00 3.26 H new ATOM 75 N GLU A 6 1.652 -10.129 12.135 1.00 2.22 N ATOM 76 CA GLU A 6 0.585 -9.139 11.885 1.00 2.15 C ATOM 77 C GLU A 6 0.824 -8.163 10.722 1.00 1.73 C ATOM 78 O GLU A 6 -0.004 -8.092 9.820 1.00 1.38 O ATOM 79 CB GLU A 6 0.352 -8.336 13.163 1.00 2.80 C ATOM 80 CG GLU A 6 -0.441 -9.080 14.227 1.00 3.25 C ATOM 81 CD GLU A 6 -0.643 -8.257 15.485 1.00 3.82 C ATOM 82 OE1 GLU A 6 -1.659 -7.536 15.566 1.00 4.39 O ATOM 83 OE2 GLU A 6 0.216 -8.334 16.388 1.00 4.09 O ATOM 0 H GLU A 6 1.823 -10.280 13.129 1.00 2.22 H new ATOM 0 HA GLU A 6 -0.283 -9.726 11.586 1.00 2.15 H new ATOM 0 HB2 GLU A 6 1.317 -8.048 13.579 1.00 2.80 H new ATOM 0 HB3 GLU A 6 -0.174 -7.415 12.910 1.00 2.80 H new ATOM 0 HG2 GLU A 6 -1.413 -9.361 13.821 1.00 3.25 H new ATOM 0 HG3 GLU A 6 0.077 -10.005 14.481 1.00 3.25 H new ATOM 90 N GLU A 7 1.939 -7.426 10.736 1.00 1.90 N ATOM 91 CA GLU A 7 2.222 -6.437 9.688 1.00 1.65 C ATOM 92 C GLU A 7 2.677 -7.061 8.380 1.00 1.44 C ATOM 93 O GLU A 7 2.628 -6.411 7.331 1.00 1.23 O ATOM 94 CB GLU A 7 3.253 -5.410 10.169 1.00 2.06 C ATOM 95 CG GLU A 7 2.768 -4.527 11.311 1.00 2.28 C ATOM 96 CD GLU A 7 3.910 -3.867 12.058 1.00 2.65 C ATOM 97 OE1 GLU A 7 4.359 -4.432 13.077 1.00 3.11 O ATOM 98 OE2 GLU A 7 4.356 -2.785 11.624 1.00 2.91 O ATOM 0 H GLU A 7 2.658 -7.494 11.457 1.00 1.90 H new ATOM 0 HA GLU A 7 1.276 -5.934 9.486 1.00 1.65 H new ATOM 0 HB2 GLU A 7 4.152 -5.937 10.488 1.00 2.06 H new ATOM 0 HB3 GLU A 7 3.537 -4.776 9.329 1.00 2.06 H new ATOM 0 HG2 GLU A 7 2.104 -3.758 10.915 1.00 2.28 H new ATOM 0 HG3 GLU A 7 2.182 -5.127 12.007 1.00 2.28 H new ATOM 105 N GLN A 8 3.117 -8.313 8.442 1.00 1.67 N ATOM 106 CA GLN A 8 3.547 -9.035 7.248 1.00 1.66 C ATOM 107 C GLN A 8 2.309 -9.503 6.482 1.00 1.23 C ATOM 108 O GLN A 8 2.253 -9.414 5.252 1.00 1.28 O ATOM 109 CB GLN A 8 4.443 -10.223 7.620 1.00 1.98 C ATOM 110 CG GLN A 8 5.520 -9.887 8.642 1.00 2.48 C ATOM 111 CD GLN A 8 6.544 -10.996 8.800 1.00 2.88 C ATOM 112 OE1 GLN A 8 6.262 -11.944 9.685 1.00 3.21 O flip ATOM 113 NE2 GLN A 8 7.574 -11.004 8.126 1.00 3.41 N flip ATOM 0 H GLN A 8 3.186 -8.850 9.306 1.00 1.67 H new ATOM 0 HA GLN A 8 4.136 -8.371 6.615 1.00 1.66 H new ATOM 0 HB2 GLN A 8 3.820 -11.026 8.014 1.00 1.98 H new ATOM 0 HB3 GLN A 8 4.919 -10.603 6.716 1.00 1.98 H new ATOM 0 HG2 GLN A 8 6.027 -8.970 8.341 1.00 2.48 H new ATOM 0 HG3 GLN A 8 5.051 -9.691 9.606 1.00 2.48 H new ATOM 0 HE21 GLN A 8 7.751 -10.255 7.457 1.00 3.41 H new ATOM 0 HE22 GLN A 8 8.250 -11.760 8.237 1.00 3.41 H new ATOM 122 N ILE A 9 1.321 -10.002 7.242 1.00 0.97 N ATOM 123 CA ILE A 9 0.049 -10.460 6.685 1.00 0.68 C ATOM 124 C ILE A 9 -0.994 -9.330 6.586 1.00 0.57 C ATOM 125 O ILE A 9 -2.036 -9.513 5.950 1.00 0.67 O ATOM 126 CB ILE A 9 -0.544 -11.701 7.432 1.00 0.76 C ATOM 127 CG1 ILE A 9 -0.414 -11.592 8.945 1.00 1.22 C ATOM 128 CG2 ILE A 9 0.112 -12.993 6.968 1.00 1.14 C ATOM 129 CD1 ILE A 9 -1.462 -10.692 9.537 1.00 2.46 C ATOM 0 H ILE A 9 1.386 -10.097 8.255 1.00 0.97 H new ATOM 0 HA ILE A 9 0.286 -10.784 5.672 1.00 0.68 H new ATOM 0 HB ILE A 9 -1.605 -11.719 7.181 1.00 0.76 H new ATOM 0 HG12 ILE A 9 -0.496 -12.584 9.388 1.00 1.22 H new ATOM 0 HG13 ILE A 9 0.576 -11.211 9.197 1.00 1.22 H new ATOM 0 HG21 ILE A 9 -0.322 -13.835 7.506 1.00 1.14 H new ATOM 0 HG22 ILE A 9 -0.054 -13.121 5.898 1.00 1.14 H new ATOM 0 HG23 ILE A 9 1.183 -12.949 7.167 1.00 1.14 H new ATOM 0 HD11 ILE A 9 -1.331 -10.644 10.618 1.00 2.46 H new ATOM 0 HD12 ILE A 9 -1.364 -9.692 9.114 1.00 2.46 H new ATOM 0 HD13 ILE A 9 -2.452 -11.087 9.308 1.00 2.46 H new ATOM 141 N ALA A 10 -0.715 -8.163 7.215 1.00 0.59 N ATOM 142 CA ALA A 10 -1.649 -7.017 7.185 1.00 0.64 C ATOM 143 C ALA A 10 -1.641 -6.259 5.868 1.00 0.58 C ATOM 144 O ALA A 10 -2.666 -5.702 5.468 1.00 0.70 O ATOM 145 CB ALA A 10 -1.303 -6.011 8.260 1.00 0.80 C ATOM 0 H ALA A 10 0.141 -7.993 7.744 1.00 0.59 H new ATOM 0 HA ALA A 10 -2.633 -7.459 7.339 1.00 0.64 H new ATOM 0 HB1 ALA A 10 -2.004 -5.177 8.218 1.00 0.80 H new ATOM 0 HB2 ALA A 10 -1.365 -6.488 9.238 1.00 0.80 H new ATOM 0 HB3 ALA A 10 -0.290 -5.642 8.100 1.00 0.80 H new ATOM 151 N GLU A 11 -0.490 -6.267 5.185 1.00 0.50 N ATOM 152 CA GLU A 11 -0.315 -5.505 3.951 1.00 0.51 C ATOM 153 C GLU A 11 -1.240 -6.031 2.861 1.00 0.49 C ATOM 154 O GLU A 11 -2.041 -5.269 2.319 1.00 0.50 O ATOM 155 CB GLU A 11 1.144 -5.528 3.483 1.00 0.59 C ATOM 156 CG GLU A 11 1.433 -4.545 2.349 1.00 0.64 C ATOM 157 CD GLU A 11 1.628 -5.240 1.018 1.00 0.88 C ATOM 158 OE1 GLU A 11 2.674 -5.900 0.842 1.00 1.48 O ATOM 159 OE2 GLU A 11 0.737 -5.122 0.151 1.00 1.48 O ATOM 0 H GLU A 11 0.334 -6.796 5.470 1.00 0.50 H new ATOM 0 HA GLU A 11 -0.580 -4.468 4.158 1.00 0.51 H new ATOM 0 HB2 GLU A 11 1.793 -5.297 4.328 1.00 0.59 H new ATOM 0 HB3 GLU A 11 1.396 -6.536 3.153 1.00 0.59 H new ATOM 0 HG2 GLU A 11 0.609 -3.836 2.268 1.00 0.64 H new ATOM 0 HG3 GLU A 11 2.327 -3.970 2.590 1.00 0.64 H new ATOM 166 N PHE A 12 -1.135 -7.338 2.553 1.00 0.52 N ATOM 167 CA PHE A 12 -2.004 -7.937 1.547 1.00 0.53 C ATOM 168 C PHE A 12 -3.432 -8.026 2.086 1.00 0.49 C ATOM 169 O PHE A 12 -4.382 -8.137 1.310 1.00 0.54 O ATOM 170 CB PHE A 12 -1.479 -9.297 1.034 1.00 0.63 C ATOM 171 CG PHE A 12 -1.358 -10.406 2.051 1.00 1.22 C ATOM 172 CD1 PHE A 12 -2.471 -11.141 2.433 1.00 2.05 C ATOM 173 CD2 PHE A 12 -0.126 -10.733 2.591 1.00 2.14 C ATOM 174 CE1 PHE A 12 -2.356 -12.179 3.335 1.00 3.03 C ATOM 175 CE2 PHE A 12 -0.006 -11.767 3.498 1.00 3.14 C ATOM 176 CZ PHE A 12 -1.123 -12.492 3.868 1.00 3.44 C ATOM 0 H PHE A 12 -0.468 -7.980 2.982 1.00 0.52 H new ATOM 0 HA PHE A 12 -2.006 -7.287 0.672 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -2.140 -9.638 0.237 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -0.498 -9.136 0.588 1.00 0.63 H new ATOM 0 HD1 PHE A 12 -3.439 -10.898 2.020 1.00 2.05 H new ATOM 0 HD2 PHE A 12 0.751 -10.173 2.300 1.00 2.14 H new ATOM 0 HE1 PHE A 12 -3.230 -12.745 3.623 1.00 3.03 H new ATOM 0 HE2 PHE A 12 0.959 -12.009 3.918 1.00 3.14 H new ATOM 0 HZ PHE A 12 -1.030 -13.304 4.574 1.00 3.44 H new ATOM 186 N LYS A 13 -3.569 -7.979 3.435 1.00 0.47 N ATOM 187 CA LYS A 13 -4.870 -7.984 4.082 1.00 0.48 C ATOM 188 C LYS A 13 -5.660 -6.751 3.758 1.00 0.48 C ATOM 189 O LYS A 13 -6.785 -6.819 3.262 1.00 0.52 O ATOM 190 CB LYS A 13 -4.737 -8.010 5.601 1.00 0.51 C ATOM 191 CG LYS A 13 -5.998 -8.487 6.282 1.00 0.57 C ATOM 192 CD LYS A 13 -6.257 -9.939 5.923 1.00 0.60 C ATOM 193 CE LYS A 13 -7.743 -10.260 5.888 1.00 0.66 C ATOM 194 NZ LYS A 13 -7.993 -11.691 5.562 1.00 1.21 N ATOM 0 H LYS A 13 -2.782 -7.937 4.082 1.00 0.47 H new ATOM 0 HA LYS A 13 -5.374 -8.877 3.712 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -3.909 -8.661 5.879 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -4.490 -7.010 5.958 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -5.901 -8.381 7.363 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -6.843 -7.871 5.976 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -5.816 -10.156 4.950 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -5.763 -10.586 6.648 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -8.188 -10.024 6.855 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -8.234 -9.628 5.148 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -9.017 -11.870 5.548 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -7.590 -11.910 4.628 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -7.546 -12.294 6.282 1.00 1.21 H new ATOM 208 N GLU A 14 -5.068 -5.624 4.093 1.00 0.47 N ATOM 209 CA GLU A 14 -5.704 -4.368 3.882 1.00 0.49 C ATOM 210 C GLU A 14 -5.802 -4.088 2.394 1.00 0.49 C ATOM 211 O GLU A 14 -6.708 -3.393 1.924 1.00 0.54 O ATOM 212 CB GLU A 14 -4.941 -3.258 4.596 1.00 0.50 C ATOM 213 CG GLU A 14 -5.470 -2.940 5.990 1.00 0.52 C ATOM 214 CD GLU A 14 -6.675 -2.016 5.973 1.00 1.25 C ATOM 215 OE1 GLU A 14 -7.813 -2.525 5.898 1.00 1.99 O ATOM 216 OE2 GLU A 14 -6.478 -0.784 6.034 1.00 1.95 O ATOM 0 H GLU A 14 -4.141 -5.566 4.515 1.00 0.47 H new ATOM 0 HA GLU A 14 -6.711 -4.403 4.297 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -3.892 -3.544 4.673 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -4.981 -2.354 3.988 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -5.740 -3.870 6.491 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -4.675 -2.480 6.578 1.00 0.52 H new ATOM 223 N ALA A 15 -4.831 -4.657 1.674 1.00 0.46 N ATOM 224 CA ALA A 15 -4.765 -4.563 0.229 1.00 0.48 C ATOM 225 C ALA A 15 -5.677 -5.594 -0.431 1.00 0.50 C ATOM 226 O ALA A 15 -5.792 -5.675 -1.659 1.00 0.55 O ATOM 227 CB ALA A 15 -3.335 -4.699 -0.275 1.00 0.50 C ATOM 0 H ALA A 15 -4.070 -5.196 2.087 1.00 0.46 H new ATOM 0 HA ALA A 15 -5.120 -3.571 -0.050 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -3.324 -4.624 -1.362 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -2.722 -3.904 0.150 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -2.934 -5.667 0.026 1.00 0.50 H new ATOM 233 N PHE A 16 -6.322 -6.359 0.435 1.00 0.49 N ATOM 234 CA PHE A 16 -7.274 -7.407 0.047 1.00 0.53 C ATOM 235 C PHE A 16 -8.654 -6.778 -0.130 1.00 0.57 C ATOM 236 O PHE A 16 -9.401 -7.141 -1.042 1.00 0.60 O ATOM 237 CB PHE A 16 -7.329 -8.542 1.090 1.00 0.55 C ATOM 238 CG PHE A 16 -7.817 -9.854 0.535 1.00 0.56 C ATOM 239 CD1 PHE A 16 -9.167 -10.166 0.545 1.00 1.27 C ATOM 240 CD2 PHE A 16 -6.925 -10.773 0.005 1.00 1.27 C ATOM 241 CE1 PHE A 16 -9.620 -11.368 0.036 1.00 1.31 C ATOM 242 CE2 PHE A 16 -7.372 -11.978 -0.505 1.00 1.27 C ATOM 243 CZ PHE A 16 -8.721 -12.275 -0.490 1.00 0.62 C ATOM 0 H PHE A 16 -6.202 -6.274 1.444 1.00 0.49 H new ATOM 0 HA PHE A 16 -6.943 -7.851 -0.892 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -6.334 -8.684 1.511 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -7.982 -8.239 1.909 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -9.874 -9.461 0.956 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -5.869 -10.545 -0.010 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -10.675 -11.598 0.049 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -6.667 -12.686 -0.915 1.00 1.27 H new ATOM 0 HZ PHE A 16 -9.072 -13.215 -0.889 1.00 0.62 H new ATOM 253 N SER A 17 -8.974 -5.824 0.765 1.00 0.61 N ATOM 254 CA SER A 17 -10.244 -5.098 0.713 1.00 0.67 C ATOM 255 C SER A 17 -10.154 -3.916 -0.259 1.00 0.74 C ATOM 256 O SER A 17 -11.175 -3.345 -0.650 1.00 0.78 O ATOM 257 CB SER A 17 -10.644 -4.610 2.106 1.00 0.74 C ATOM 258 OG SER A 17 -10.791 -5.696 3.004 1.00 1.41 O ATOM 0 H SER A 17 -8.364 -5.542 1.532 1.00 0.61 H new ATOM 0 HA SER A 17 -11.011 -5.784 0.353 1.00 0.67 H new ATOM 0 HB2 SER A 17 -9.889 -3.921 2.484 1.00 0.74 H new ATOM 0 HB3 SER A 17 -11.580 -4.055 2.045 1.00 0.74 H new ATOM 0 HG SER A 17 -11.045 -5.358 3.888 1.00 1.41 H new ATOM 264 N LEU A 18 -8.910 -3.563 -0.635 1.00 0.79 N ATOM 265 CA LEU A 18 -8.626 -2.459 -1.573 1.00 0.91 C ATOM 266 C LEU A 18 -9.364 -2.639 -2.898 1.00 0.81 C ATOM 267 O LEU A 18 -10.019 -1.718 -3.396 1.00 0.79 O ATOM 268 CB LEU A 18 -7.117 -2.392 -1.896 1.00 1.26 C ATOM 269 CG LEU A 18 -6.240 -1.368 -1.157 1.00 0.69 C ATOM 270 CD1 LEU A 18 -4.839 -1.418 -1.735 1.00 1.59 C ATOM 271 CD2 LEU A 18 -6.757 0.053 -1.281 1.00 0.83 C ATOM 0 H LEU A 18 -8.072 -4.036 -0.297 1.00 0.79 H new ATOM 0 HA LEU A 18 -8.961 -1.545 -1.083 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -6.697 -3.380 -1.709 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -7.018 -2.200 -2.964 1.00 1.26 H new ATOM 0 HG LEU A 18 -6.254 -1.634 -0.100 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -4.207 -0.696 -1.219 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -4.427 -2.419 -1.605 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -4.875 -1.175 -2.797 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -6.096 0.729 -0.739 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -6.786 0.339 -2.332 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -7.761 0.113 -0.861 1.00 0.83 H new ATOM 283 N PHE A 19 -9.236 -3.845 -3.442 1.00 0.84 N ATOM 284 CA PHE A 19 -9.832 -4.215 -4.715 1.00 0.86 C ATOM 285 C PHE A 19 -11.190 -4.852 -4.525 1.00 0.75 C ATOM 286 O PHE A 19 -12.179 -4.423 -5.103 1.00 0.79 O ATOM 287 CB PHE A 19 -8.958 -5.270 -5.416 1.00 1.02 C ATOM 288 CG PHE A 19 -7.537 -4.872 -5.761 1.00 0.85 C ATOM 289 CD1 PHE A 19 -7.085 -4.970 -7.067 1.00 1.41 C ATOM 290 CD2 PHE A 19 -6.646 -4.434 -4.785 1.00 1.53 C ATOM 291 CE1 PHE A 19 -5.785 -4.639 -7.393 1.00 1.60 C ATOM 292 CE2 PHE A 19 -5.347 -4.095 -5.111 1.00 1.64 C ATOM 293 CZ PHE A 19 -4.916 -4.199 -6.417 1.00 1.28 C ATOM 0 H PHE A 19 -8.708 -4.600 -3.004 1.00 0.84 H new ATOM 0 HA PHE A 19 -9.918 -3.300 -5.301 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -8.916 -6.153 -4.778 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -9.459 -5.566 -6.337 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -7.758 -5.310 -7.840 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -6.975 -4.358 -3.759 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -5.448 -4.725 -8.415 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -4.670 -3.749 -4.344 1.00 1.64 H new ATOM 0 HZ PHE A 19 -3.901 -3.937 -6.675 1.00 1.28 H new ATOM 303 N ASP A 20 -11.214 -5.852 -3.653 1.00 0.68 N ATOM 304 CA ASP A 20 -12.390 -6.672 -3.420 1.00 0.63 C ATOM 305 C ASP A 20 -13.619 -5.895 -2.895 1.00 0.66 C ATOM 306 O ASP A 20 -13.785 -5.703 -1.684 1.00 0.74 O ATOM 307 CB ASP A 20 -12.003 -7.856 -2.505 1.00 0.60 C ATOM 308 CG ASP A 20 -11.569 -9.075 -3.287 1.00 1.67 C ATOM 309 OD1 ASP A 20 -12.002 -10.192 -2.938 1.00 2.45 O ATOM 310 OD2 ASP A 20 -10.793 -8.915 -4.246 1.00 2.31 O ATOM 0 H ASP A 20 -10.410 -6.117 -3.084 1.00 0.68 H new ATOM 0 HA ASP A 20 -12.722 -7.050 -4.387 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -11.196 -7.548 -1.840 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -12.853 -8.117 -1.875 1.00 0.60 H new ATOM 315 N LYS A 21 -14.467 -5.431 -3.847 1.00 0.73 N ATOM 316 CA LYS A 21 -15.729 -4.723 -3.527 1.00 0.80 C ATOM 317 C LYS A 21 -16.762 -5.755 -3.125 1.00 0.82 C ATOM 318 O LYS A 21 -17.428 -5.647 -2.092 1.00 0.91 O ATOM 319 CB LYS A 21 -16.263 -3.928 -4.719 1.00 1.01 C ATOM 320 CG LYS A 21 -15.452 -2.704 -5.047 1.00 0.97 C ATOM 321 CD LYS A 21 -14.446 -3.040 -6.118 1.00 0.95 C ATOM 322 CE LYS A 21 -13.429 -1.921 -6.311 1.00 1.05 C ATOM 323 NZ LYS A 21 -13.862 -0.952 -7.356 1.00 1.63 N ATOM 0 H LYS A 21 -14.297 -5.536 -4.847 1.00 0.73 H new ATOM 0 HA LYS A 21 -15.530 -4.017 -2.721 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -16.292 -4.578 -5.593 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -17.290 -3.627 -4.512 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -16.106 -1.901 -5.387 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -14.942 -2.343 -4.154 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -13.927 -3.961 -5.853 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -14.965 -3.226 -7.058 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -13.283 -1.396 -5.367 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -12.466 -2.349 -6.590 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -13.065 -0.749 -7.993 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -14.647 -1.359 -7.903 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -14.176 -0.070 -6.903 1.00 1.63 H new ATOM 337 N ASP A 22 -16.861 -6.758 -3.995 1.00 0.85 N ATOM 338 CA ASP A 22 -17.739 -7.914 -3.795 1.00 0.97 C ATOM 339 C ASP A 22 -17.026 -8.878 -2.839 1.00 0.88 C ATOM 340 O ASP A 22 -17.625 -9.393 -1.890 1.00 1.02 O ATOM 341 CB ASP A 22 -18.054 -8.589 -5.139 1.00 1.12 C ATOM 342 CG ASP A 22 -19.277 -9.490 -5.077 1.00 1.36 C ATOM 343 OD1 ASP A 22 -20.394 -8.993 -5.335 1.00 2.09 O ATOM 344 OD2 ASP A 22 -19.116 -10.690 -4.771 1.00 1.48 O ATOM 0 H ASP A 22 -16.331 -6.794 -4.866 1.00 0.85 H new ATOM 0 HA ASP A 22 -18.692 -7.605 -3.365 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -18.212 -7.822 -5.897 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -17.192 -9.176 -5.456 1.00 1.12 H new ATOM 349 N GLY A 23 -15.730 -9.106 -3.126 1.00 0.75 N ATOM 350 CA GLY A 23 -14.868 -9.923 -2.283 1.00 0.75 C ATOM 351 C GLY A 23 -15.301 -11.351 -2.054 1.00 0.85 C ATOM 352 O GLY A 23 -15.447 -11.780 -0.905 1.00 1.01 O ATOM 0 H GLY A 23 -15.262 -8.726 -3.949 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -13.872 -9.936 -2.726 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -14.779 -9.435 -1.313 1.00 0.75 H new ATOM 356 N ASP A 24 -15.509 -12.086 -3.146 1.00 0.82 N ATOM 357 CA ASP A 24 -15.845 -13.516 -3.082 1.00 0.95 C ATOM 358 C ASP A 24 -14.595 -14.264 -2.592 1.00 0.87 C ATOM 359 O ASP A 24 -14.562 -15.488 -2.431 1.00 0.96 O ATOM 360 CB ASP A 24 -16.178 -13.982 -4.481 1.00 1.00 C ATOM 361 CG ASP A 24 -16.955 -15.288 -4.520 1.00 1.41 C ATOM 362 OD1 ASP A 24 -18.202 -15.237 -4.493 1.00 1.96 O ATOM 363 OD2 ASP A 24 -16.314 -16.358 -4.577 1.00 1.93 O ATOM 0 H ASP A 24 -15.451 -11.715 -4.094 1.00 0.82 H new ATOM 0 HA ASP A 24 -16.688 -13.698 -2.415 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -16.759 -13.209 -4.984 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -15.253 -14.103 -5.044 1.00 1.00 H new ATOM 368 N GLY A 25 -13.594 -13.430 -2.366 1.00 0.74 N ATOM 369 CA GLY A 25 -12.283 -13.817 -1.889 1.00 0.72 C ATOM 370 C GLY A 25 -11.235 -13.664 -2.967 1.00 0.65 C ATOM 371 O GLY A 25 -10.062 -13.989 -2.757 1.00 0.69 O ATOM 0 H GLY A 25 -13.679 -12.425 -2.517 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -12.013 -13.206 -1.028 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -12.309 -14.852 -1.549 1.00 0.72 H new ATOM 375 N THR A 26 -11.676 -13.165 -4.124 1.00 0.62 N ATOM 376 CA THR A 26 -10.801 -12.915 -5.251 1.00 0.58 C ATOM 377 C THR A 26 -10.884 -11.475 -5.731 1.00 0.57 C ATOM 378 O THR A 26 -11.906 -10.805 -5.568 1.00 0.64 O ATOM 379 CB THR A 26 -11.129 -13.811 -6.435 1.00 0.60 C ATOM 380 OG1 THR A 26 -12.518 -13.692 -6.780 1.00 0.63 O ATOM 381 CG2 THR A 26 -10.809 -15.257 -6.122 1.00 0.64 C ATOM 0 H THR A 26 -12.652 -12.926 -4.297 1.00 0.62 H new ATOM 0 HA THR A 26 -9.796 -13.128 -4.887 1.00 0.58 H new ATOM 0 HB THR A 26 -10.518 -13.490 -7.279 1.00 0.60 H new ATOM 0 HG1 THR A 26 -12.773 -14.431 -7.372 1.00 0.63 H new ATOM 0 HG21 THR A 26 -11.052 -15.878 -6.984 1.00 0.64 H new ATOM 0 HG22 THR A 26 -9.748 -15.353 -5.893 1.00 0.64 H new ATOM 0 HG23 THR A 26 -11.396 -15.582 -5.263 1.00 0.64 H new ATOM 389 N ILE A 27 -9.803 -11.050 -6.374 1.00 0.54 N ATOM 390 CA ILE A 27 -9.645 -9.727 -6.912 1.00 0.53 C ATOM 391 C ILE A 27 -9.993 -9.688 -8.359 1.00 0.53 C ATOM 392 O ILE A 27 -9.460 -10.439 -9.157 1.00 0.51 O ATOM 393 CB ILE A 27 -8.215 -9.259 -6.701 1.00 0.49 C ATOM 394 CG1 ILE A 27 -8.128 -8.654 -5.329 1.00 0.52 C ATOM 395 CG2 ILE A 27 -7.724 -8.269 -7.762 1.00 0.47 C ATOM 396 CD1 ILE A 27 -7.337 -9.493 -4.353 1.00 0.54 C ATOM 0 H ILE A 27 -8.991 -11.646 -6.535 1.00 0.54 H new ATOM 0 HA ILE A 27 -10.327 -9.057 -6.388 1.00 0.53 H new ATOM 0 HB ILE A 27 -7.558 -10.124 -6.797 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.670 -7.668 -5.403 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -9.136 -8.509 -4.939 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.696 -7.981 -7.543 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -7.768 -8.738 -8.745 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -8.358 -7.383 -7.754 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -7.314 -8.998 -3.382 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -7.807 -10.471 -4.250 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -6.319 -9.616 -4.721 1.00 0.54 H new ATOM 408 N THR A 28 -10.823 -8.750 -8.682 1.00 0.59 N ATOM 409 CA THR A 28 -11.285 -8.603 -10.041 1.00 0.61 C ATOM 410 C THR A 28 -10.623 -7.430 -10.731 1.00 0.58 C ATOM 411 O THR A 28 -9.968 -6.585 -10.113 1.00 0.57 O ATOM 412 CB THR A 28 -12.811 -8.449 -10.087 1.00 0.69 C ATOM 413 OG1 THR A 28 -13.414 -9.016 -8.915 1.00 0.75 O ATOM 414 CG2 THR A 28 -13.411 -9.107 -11.327 1.00 0.73 C ATOM 0 H THR A 28 -11.202 -8.067 -8.026 1.00 0.59 H new ATOM 0 HA THR A 28 -11.007 -9.511 -10.576 1.00 0.61 H new ATOM 0 HB THR A 28 -13.020 -7.380 -10.127 1.00 0.69 H new ATOM 0 HG1 THR A 28 -13.708 -8.297 -8.318 1.00 0.75 H new ATOM 0 HG21 THR A 28 -14.493 -8.975 -11.321 1.00 0.73 H new ATOM 0 HG22 THR A 28 -12.994 -8.645 -12.222 1.00 0.73 H new ATOM 0 HG23 THR A 28 -13.175 -10.171 -11.324 1.00 0.73 H new ATOM 422 N THR A 29 -10.832 -7.422 -12.032 1.00 0.58 N ATOM 423 CA THR A 29 -10.286 -6.431 -12.944 1.00 0.57 C ATOM 424 C THR A 29 -10.869 -5.029 -12.690 1.00 0.62 C ATOM 425 O THR A 29 -10.102 -4.095 -12.465 1.00 0.64 O ATOM 426 CB THR A 29 -10.458 -6.858 -14.440 1.00 0.58 C ATOM 427 OG1 THR A 29 -11.547 -6.169 -15.068 1.00 0.66 O ATOM 428 CG2 THR A 29 -10.678 -8.355 -14.602 1.00 0.59 C ATOM 0 H THR A 29 -11.403 -8.125 -12.500 1.00 0.58 H new ATOM 0 HA THR A 29 -9.216 -6.377 -12.742 1.00 0.57 H new ATOM 0 HB THR A 29 -9.521 -6.586 -14.925 1.00 0.58 H new ATOM 0 HG1 THR A 29 -12.126 -6.817 -15.522 1.00 0.66 H new ATOM 0 HG21 THR A 29 -10.791 -8.594 -15.660 1.00 0.59 H new ATOM 0 HG22 THR A 29 -9.822 -8.894 -14.198 1.00 0.59 H new ATOM 0 HG23 THR A 29 -11.579 -8.650 -14.065 1.00 0.59 H new ATOM 436 N LYS A 30 -12.221 -4.886 -12.661 1.00 0.77 N ATOM 437 CA LYS A 30 -12.864 -3.564 -12.416 1.00 0.85 C ATOM 438 C LYS A 30 -12.347 -2.905 -11.124 1.00 0.84 C ATOM 439 O LYS A 30 -12.467 -1.691 -10.937 1.00 0.93 O ATOM 440 CB LYS A 30 -14.409 -3.663 -12.395 1.00 1.01 C ATOM 441 CG LYS A 30 -15.026 -4.528 -11.284 1.00 1.06 C ATOM 442 CD LYS A 30 -15.087 -5.996 -11.688 1.00 1.10 C ATOM 443 CE LYS A 30 -15.946 -6.807 -10.729 1.00 1.16 C ATOM 444 NZ LYS A 30 -16.453 -8.056 -11.362 1.00 1.66 N ATOM 0 H LYS A 30 -12.878 -5.654 -12.801 1.00 0.77 H new ATOM 0 HA LYS A 30 -12.583 -2.927 -13.255 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -14.814 -2.655 -12.307 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -14.739 -4.057 -13.357 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -14.438 -4.425 -10.372 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -16.030 -4.170 -11.058 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -15.490 -6.079 -12.697 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -14.079 -6.409 -11.712 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -15.363 -7.059 -9.843 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -16.788 -6.201 -10.394 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -17.437 -7.915 -11.669 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -15.864 -8.292 -12.186 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -16.413 -8.835 -10.674 1.00 1.66 H new ATOM 458 N GLU A 31 -11.773 -3.741 -10.254 1.00 0.82 N ATOM 459 CA GLU A 31 -11.196 -3.323 -8.987 1.00 0.87 C ATOM 460 C GLU A 31 -9.764 -2.846 -9.186 1.00 0.78 C ATOM 461 O GLU A 31 -9.361 -1.802 -8.669 1.00 0.81 O ATOM 462 CB GLU A 31 -11.180 -4.496 -7.998 1.00 1.02 C ATOM 463 CG GLU A 31 -12.493 -5.274 -7.904 1.00 1.82 C ATOM 464 CD GLU A 31 -12.395 -6.571 -7.106 1.00 2.69 C ATOM 465 OE1 GLU A 31 -13.446 -7.219 -6.911 1.00 3.34 O ATOM 466 OE2 GLU A 31 -11.280 -6.942 -6.674 1.00 3.27 O ATOM 0 H GLU A 31 -11.698 -4.745 -10.420 1.00 0.82 H new ATOM 0 HA GLU A 31 -11.806 -2.510 -8.593 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -10.386 -5.185 -8.286 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.928 -4.115 -7.008 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -13.249 -4.635 -7.447 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -12.838 -5.506 -8.912 1.00 1.82 H new ATOM 473 N LEU A 32 -9.020 -3.638 -9.967 1.00 0.68 N ATOM 474 CA LEU A 32 -7.616 -3.392 -10.293 1.00 0.60 C ATOM 475 C LEU A 32 -7.391 -2.017 -10.910 1.00 0.66 C ATOM 476 O LEU A 32 -6.299 -1.470 -10.778 1.00 0.72 O ATOM 477 CB LEU A 32 -7.140 -4.559 -11.184 1.00 0.54 C ATOM 478 CG LEU A 32 -5.712 -4.541 -11.774 1.00 0.46 C ATOM 479 CD1 LEU A 32 -4.639 -4.065 -10.793 1.00 0.49 C ATOM 480 CD2 LEU A 32 -5.369 -5.935 -12.264 1.00 0.44 C ATOM 0 H LEU A 32 -9.388 -4.486 -10.398 1.00 0.68 H new ATOM 0 HA LEU A 32 -7.013 -3.366 -9.385 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -7.240 -5.475 -10.601 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -7.836 -4.635 -12.019 1.00 0.54 H new ATOM 0 HG LEU A 32 -5.716 -3.819 -12.590 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -3.665 -4.081 -11.283 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -4.866 -3.049 -10.470 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -4.620 -4.725 -9.926 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -4.363 -5.936 -12.683 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -5.415 -6.635 -11.430 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -6.082 -6.237 -13.031 1.00 0.44 H new ATOM 492 N GLY A 33 -8.421 -1.469 -11.566 1.00 0.71 N ATOM 493 CA GLY A 33 -8.322 -0.133 -12.131 1.00 0.80 C ATOM 494 C GLY A 33 -8.619 0.936 -11.113 1.00 0.83 C ATOM 495 O GLY A 33 -8.042 2.026 -11.145 1.00 0.91 O ATOM 0 H GLY A 33 -9.319 -1.929 -11.714 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -7.320 0.017 -12.532 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -9.016 -0.041 -12.966 1.00 0.80 H new ATOM 499 N THR A 34 -9.538 0.607 -10.214 1.00 0.80 N ATOM 500 CA THR A 34 -9.925 1.481 -9.107 1.00 0.84 C ATOM 501 C THR A 34 -8.734 1.687 -8.164 1.00 0.83 C ATOM 502 O THR A 34 -8.674 2.667 -7.416 1.00 0.88 O ATOM 503 CB THR A 34 -11.056 0.825 -8.296 1.00 0.87 C ATOM 504 OG1 THR A 34 -12.040 0.269 -9.178 1.00 0.89 O ATOM 505 CG2 THR A 34 -11.734 1.810 -7.343 1.00 0.96 C ATOM 0 H THR A 34 -10.041 -0.280 -10.230 1.00 0.80 H new ATOM 0 HA THR A 34 -10.253 2.435 -9.520 1.00 0.84 H new ATOM 0 HB THR A 34 -10.600 0.037 -7.697 1.00 0.87 H new ATOM 0 HG1 THR A 34 -11.740 -0.610 -9.491 1.00 0.89 H new ATOM 0 HG21 THR A 34 -12.525 1.299 -6.794 1.00 0.96 H new ATOM 0 HG22 THR A 34 -10.998 2.201 -6.640 1.00 0.96 H new ATOM 0 HG23 THR A 34 -12.163 2.633 -7.915 1.00 0.96 H new ATOM 513 N VAL A 35 -7.795 0.735 -8.230 1.00 0.77 N ATOM 514 CA VAL A 35 -6.597 0.743 -7.376 1.00 0.79 C ATOM 515 C VAL A 35 -5.484 1.610 -7.976 1.00 0.80 C ATOM 516 O VAL A 35 -5.076 2.625 -7.403 1.00 0.86 O ATOM 517 CB VAL A 35 -6.071 -0.707 -7.225 1.00 0.76 C ATOM 518 CG1 VAL A 35 -4.808 -0.775 -6.362 1.00 0.80 C ATOM 519 CG2 VAL A 35 -7.147 -1.608 -6.638 1.00 0.79 C ATOM 0 H VAL A 35 -7.841 -0.057 -8.871 1.00 0.77 H new ATOM 0 HA VAL A 35 -6.875 1.159 -6.408 1.00 0.79 H new ATOM 0 HB VAL A 35 -5.811 -1.057 -8.224 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -4.476 -1.810 -6.284 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -4.022 -0.175 -6.820 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -5.026 -0.388 -5.367 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -6.759 -2.622 -6.540 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.439 -1.234 -5.657 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -8.015 -1.614 -7.297 1.00 0.79 H new ATOM 529 N MET A 36 -5.022 1.159 -9.136 1.00 0.77 N ATOM 530 CA MET A 36 -3.948 1.794 -9.933 1.00 0.81 C ATOM 531 C MET A 36 -4.091 3.300 -10.081 1.00 0.80 C ATOM 532 O MET A 36 -3.131 4.047 -9.892 1.00 0.87 O ATOM 533 CB MET A 36 -3.969 1.238 -11.358 1.00 0.87 C ATOM 534 CG MET A 36 -5.341 0.849 -11.814 1.00 0.86 C ATOM 535 SD MET A 36 -5.338 -0.069 -13.372 1.00 1.10 S ATOM 536 CE MET A 36 -5.087 1.248 -14.564 1.00 1.82 C ATOM 0 H MET A 36 -5.389 0.314 -9.573 1.00 0.77 H new ATOM 0 HA MET A 36 -3.028 1.575 -9.391 1.00 0.81 H new ATOM 0 HB2 MET A 36 -3.564 1.986 -12.040 1.00 0.87 H new ATOM 0 HB3 MET A 36 -3.314 0.369 -11.413 1.00 0.87 H new ATOM 0 HG2 MET A 36 -5.815 0.242 -11.043 1.00 0.86 H new ATOM 0 HG3 MET A 36 -5.947 1.748 -11.930 1.00 0.86 H new ATOM 0 HE1 MET A 36 -5.240 0.861 -15.571 1.00 1.82 H new ATOM 0 HE2 MET A 36 -5.797 2.052 -14.373 1.00 1.82 H new ATOM 0 HE3 MET A 36 -4.071 1.632 -14.473 1.00 1.82 H new ATOM 546 N ARG A 37 -5.317 3.715 -10.410 1.00 0.79 N ATOM 547 CA ARG A 37 -5.651 5.105 -10.700 1.00 0.85 C ATOM 548 C ARG A 37 -5.069 6.132 -9.716 1.00 0.94 C ATOM 549 O ARG A 37 -4.802 7.281 -10.080 1.00 1.01 O ATOM 550 CB ARG A 37 -7.163 5.277 -10.730 1.00 0.96 C ATOM 551 CG ARG A 37 -7.801 4.930 -12.063 1.00 1.49 C ATOM 552 CD ARG A 37 -9.314 5.101 -12.020 1.00 1.68 C ATOM 553 NE ARG A 37 -9.718 6.508 -12.135 1.00 2.53 N ATOM 554 CZ ARG A 37 -10.976 6.928 -12.342 1.00 2.93 C ATOM 555 NH1 ARG A 37 -11.981 6.063 -12.462 1.00 2.47 N ATOM 556 NH2 ARG A 37 -11.226 8.228 -12.428 1.00 3.94 N ATOM 0 H ARG A 37 -6.114 3.083 -10.482 1.00 0.79 H new ATOM 0 HA ARG A 37 -5.195 5.308 -11.669 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -7.604 4.651 -9.954 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -7.405 6.310 -10.482 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -7.384 5.566 -12.844 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -7.558 3.901 -12.327 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -9.766 4.528 -12.830 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -9.698 4.690 -11.086 1.00 1.68 H new ATOM 0 HE ARG A 37 -8.990 7.218 -12.052 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -11.802 5.061 -12.397 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -12.930 6.402 -12.619 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -10.465 8.901 -12.337 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -12.179 8.555 -12.585 1.00 3.94 H new ATOM 570 N SER A 38 -4.886 5.685 -8.479 1.00 1.00 N ATOM 571 CA SER A 38 -4.370 6.507 -7.365 1.00 1.16 C ATOM 572 C SER A 38 -3.019 7.205 -7.625 1.00 1.17 C ATOM 573 O SER A 38 -2.643 8.100 -6.859 1.00 1.33 O ATOM 574 CB SER A 38 -4.267 5.646 -6.103 1.00 1.37 C ATOM 575 OG SER A 38 -3.461 4.502 -6.328 1.00 1.82 O ATOM 0 H SER A 38 -5.093 4.724 -8.206 1.00 1.00 H new ATOM 0 HA SER A 38 -5.091 7.316 -7.246 1.00 1.16 H new ATOM 0 HB2 SER A 38 -3.846 6.237 -5.290 1.00 1.37 H new ATOM 0 HB3 SER A 38 -5.264 5.336 -5.789 1.00 1.37 H new ATOM 0 HG SER A 38 -4.034 3.731 -6.520 1.00 1.82 H new ATOM 581 N LEU A 39 -2.299 6.816 -8.681 1.00 1.11 N ATOM 582 CA LEU A 39 -1.010 7.436 -8.981 1.00 1.26 C ATOM 583 C LEU A 39 -1.060 8.329 -10.236 1.00 1.23 C ATOM 584 O LEU A 39 -0.151 9.136 -10.451 1.00 1.39 O ATOM 585 CB LEU A 39 0.141 6.371 -9.012 1.00 1.42 C ATOM 586 CG LEU A 39 0.534 5.653 -10.341 1.00 1.43 C ATOM 587 CD1 LEU A 39 -0.668 5.135 -11.117 1.00 1.18 C ATOM 588 CD2 LEU A 39 1.399 6.547 -11.223 1.00 2.07 C ATOM 0 H LEU A 39 -2.583 6.085 -9.333 1.00 1.11 H new ATOM 0 HA LEU A 39 -0.775 8.117 -8.163 1.00 1.26 H new ATOM 0 HB2 LEU A 39 1.039 6.860 -8.635 1.00 1.42 H new ATOM 0 HB3 LEU A 39 -0.123 5.594 -8.295 1.00 1.42 H new ATOM 0 HG LEU A 39 1.120 4.782 -10.049 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -0.328 4.646 -12.030 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -1.215 4.419 -10.504 1.00 1.18 H new ATOM 0 HD13 LEU A 39 -1.322 5.968 -11.373 1.00 1.18 H new ATOM 0 HD21 LEU A 39 1.654 6.016 -12.140 1.00 2.07 H new ATOM 0 HD22 LEU A 39 0.849 7.455 -11.471 1.00 2.07 H new ATOM 0 HD23 LEU A 39 2.312 6.810 -10.690 1.00 2.07 H new ATOM 600 N GLY A 40 -2.113 8.180 -11.055 1.00 1.12 N ATOM 601 CA GLY A 40 -2.251 8.999 -12.258 1.00 1.21 C ATOM 602 C GLY A 40 -2.033 8.240 -13.553 1.00 1.24 C ATOM 603 O GLY A 40 -1.535 8.805 -14.532 1.00 1.48 O ATOM 0 H GLY A 40 -2.867 7.510 -10.906 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -3.248 9.440 -12.272 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -1.538 9.822 -12.208 1.00 1.21 H new ATOM 607 N GLN A 41 -2.405 6.965 -13.549 1.00 1.05 N ATOM 608 CA GLN A 41 -2.272 6.094 -14.726 1.00 1.08 C ATOM 609 C GLN A 41 -3.529 6.152 -15.600 1.00 1.03 C ATOM 610 O GLN A 41 -4.578 6.632 -15.157 1.00 1.04 O ATOM 611 CB GLN A 41 -2.030 4.646 -14.286 1.00 1.08 C ATOM 612 CG GLN A 41 -0.691 4.078 -14.732 1.00 1.30 C ATOM 613 CD GLN A 41 -0.588 2.587 -14.487 1.00 2.18 C ATOM 614 OE1 GLN A 41 -0.953 1.781 -15.342 1.00 2.69 O ATOM 615 NE2 GLN A 41 -0.089 2.211 -13.315 1.00 3.01 N ATOM 0 H GLN A 41 -2.807 6.500 -12.735 1.00 1.05 H new ATOM 0 HA GLN A 41 -1.422 6.449 -15.309 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -2.092 4.593 -13.199 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -2.829 4.019 -14.682 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -0.549 4.280 -15.794 1.00 1.30 H new ATOM 0 HG3 GLN A 41 0.112 4.588 -14.200 1.00 1.30 H new ATOM 0 HE21 GLN A 41 0.201 2.914 -12.635 1.00 3.01 H new ATOM 0 HE22 GLN A 41 0.004 1.219 -13.095 1.00 3.01 H new ATOM 624 N ASN A 42 -3.412 5.658 -16.845 1.00 1.26 N ATOM 625 CA ASN A 42 -4.537 5.623 -17.787 1.00 1.34 C ATOM 626 C ASN A 42 -5.502 4.479 -17.416 1.00 0.89 C ATOM 627 O ASN A 42 -5.156 3.303 -17.581 1.00 1.50 O ATOM 628 CB ASN A 42 -4.032 5.453 -19.225 1.00 2.22 C ATOM 629 CG ASN A 42 -3.316 6.686 -19.743 1.00 3.03 C ATOM 630 OD1 ASN A 42 -2.103 6.826 -19.587 1.00 3.77 O ATOM 631 ND2 ASN A 42 -4.068 7.588 -20.362 1.00 3.37 N ATOM 0 H ASN A 42 -2.544 5.276 -17.221 1.00 1.26 H new ATOM 0 HA ASN A 42 -5.074 6.570 -17.724 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -3.356 4.599 -19.270 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -4.875 5.226 -19.878 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -3.644 8.439 -20.731 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -5.070 7.430 -20.469 1.00 3.37 H new ATOM 638 N PRO A 43 -6.723 4.799 -16.891 1.00 1.06 N ATOM 639 CA PRO A 43 -7.689 3.771 -16.475 1.00 1.66 C ATOM 640 C PRO A 43 -8.472 3.128 -17.632 1.00 1.29 C ATOM 641 O PRO A 43 -9.565 3.582 -17.997 1.00 1.26 O ATOM 642 CB PRO A 43 -8.618 4.537 -15.526 1.00 2.73 C ATOM 643 CG PRO A 43 -8.588 5.957 -15.989 1.00 2.76 C ATOM 644 CD PRO A 43 -7.246 6.172 -16.648 1.00 1.85 C ATOM 0 HA PRO A 43 -7.188 2.917 -16.020 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -9.631 4.135 -15.561 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -8.278 4.455 -14.494 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -9.399 6.152 -16.691 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -8.721 6.640 -15.150 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -7.346 6.729 -17.580 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -6.576 6.744 -16.006 1.00 1.85 H new ATOM 652 N THR A 44 -7.884 2.075 -18.213 1.00 1.26 N ATOM 653 CA THR A 44 -8.515 1.326 -19.287 1.00 1.00 C ATOM 654 C THR A 44 -9.354 0.184 -18.723 1.00 0.85 C ATOM 655 O THR A 44 -9.124 -0.275 -17.600 1.00 0.89 O ATOM 656 CB THR A 44 -7.477 0.753 -20.267 1.00 1.17 C ATOM 657 OG1 THR A 44 -6.159 1.188 -19.915 1.00 1.51 O ATOM 658 CG2 THR A 44 -7.784 1.207 -21.668 1.00 1.33 C ATOM 0 H THR A 44 -6.963 1.726 -17.948 1.00 1.26 H new ATOM 0 HA THR A 44 -9.156 2.021 -19.828 1.00 1.00 H new ATOM 0 HB THR A 44 -7.523 -0.335 -20.213 1.00 1.17 H new ATOM 0 HG1 THR A 44 -5.549 1.021 -20.663 1.00 1.51 H new ATOM 0 HG21 THR A 44 -7.043 0.796 -22.354 1.00 1.33 H new ATOM 0 HG22 THR A 44 -8.776 0.859 -21.954 1.00 1.33 H new ATOM 0 HG23 THR A 44 -7.755 2.296 -21.712 1.00 1.33 H new ATOM 666 N GLU A 45 -10.325 -0.265 -19.518 1.00 0.76 N ATOM 667 CA GLU A 45 -11.233 -1.346 -19.124 1.00 0.72 C ATOM 668 C GLU A 45 -10.592 -2.700 -19.373 1.00 0.71 C ATOM 669 O GLU A 45 -10.918 -3.684 -18.712 1.00 0.70 O ATOM 670 CB GLU A 45 -12.572 -1.244 -19.869 1.00 0.79 C ATOM 671 CG GLU A 45 -13.445 -0.072 -19.429 1.00 0.85 C ATOM 672 CD GLU A 45 -14.206 -0.351 -18.144 1.00 1.41 C ATOM 673 OE1 GLU A 45 -13.674 -0.036 -17.058 1.00 2.03 O ATOM 674 OE2 GLU A 45 -15.332 -0.886 -18.225 1.00 1.97 O ATOM 0 H GLU A 45 -10.505 0.108 -20.450 1.00 0.76 H new ATOM 0 HA GLU A 45 -11.430 -1.244 -18.057 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -12.375 -1.155 -20.937 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -13.127 -2.171 -19.724 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -12.818 0.809 -19.290 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -14.155 0.163 -20.222 1.00 0.85 H new ATOM 681 N ALA A 46 -9.741 -2.754 -20.392 1.00 0.75 N ATOM 682 CA ALA A 46 -9.018 -3.958 -20.715 1.00 0.78 C ATOM 683 C ALA A 46 -7.700 -4.032 -19.966 1.00 0.76 C ATOM 684 O ALA A 46 -7.151 -5.114 -19.827 1.00 0.77 O ATOM 685 CB ALA A 46 -8.811 -4.091 -22.216 1.00 0.90 C ATOM 0 H ALA A 46 -9.541 -1.966 -21.007 1.00 0.75 H new ATOM 0 HA ALA A 46 -9.625 -4.803 -20.390 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -8.263 -5.009 -22.428 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -9.779 -4.123 -22.715 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -8.242 -3.236 -22.582 1.00 0.90 H new ATOM 691 N GLU A 47 -7.193 -2.884 -19.477 1.00 0.77 N ATOM 692 CA GLU A 47 -5.914 -2.875 -18.727 1.00 0.81 C ATOM 693 C GLU A 47 -5.978 -3.704 -17.456 1.00 0.68 C ATOM 694 O GLU A 47 -4.983 -4.296 -17.066 1.00 0.62 O ATOM 695 CB GLU A 47 -5.461 -1.453 -18.393 1.00 0.95 C ATOM 696 CG GLU A 47 -4.302 -0.961 -19.252 1.00 1.30 C ATOM 697 CD GLU A 47 -2.951 -1.481 -18.791 1.00 1.55 C ATOM 698 OE1 GLU A 47 -2.698 -2.695 -18.946 1.00 2.16 O ATOM 699 OE2 GLU A 47 -2.147 -0.674 -18.281 1.00 2.13 O ATOM 0 H GLU A 47 -7.633 -1.970 -19.582 1.00 0.77 H new ATOM 0 HA GLU A 47 -5.179 -3.331 -19.390 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -6.305 -0.774 -18.515 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -5.167 -1.412 -17.344 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -4.468 -1.267 -20.285 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -4.287 0.129 -19.241 1.00 1.30 H new ATOM 706 N LEU A 48 -7.145 -3.753 -16.832 1.00 0.66 N ATOM 707 CA LEU A 48 -7.347 -4.532 -15.625 1.00 0.59 C ATOM 708 C LEU A 48 -7.712 -5.969 -15.992 1.00 0.55 C ATOM 709 O LEU A 48 -7.319 -6.900 -15.289 1.00 0.56 O ATOM 710 CB LEU A 48 -8.381 -3.852 -14.721 1.00 0.61 C ATOM 711 CG LEU A 48 -9.320 -2.842 -15.390 1.00 0.76 C ATOM 712 CD1 LEU A 48 -10.429 -3.549 -16.092 1.00 0.87 C ATOM 713 CD2 LEU A 48 -9.880 -1.866 -14.387 1.00 1.24 C ATOM 0 H LEU A 48 -7.976 -3.254 -17.149 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.423 -4.580 -15.049 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -8.990 -4.628 -14.257 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -7.848 -3.342 -13.918 1.00 0.61 H new ATOM 0 HG LEU A 48 -8.738 -2.280 -16.120 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -11.087 -2.818 -16.562 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -10.015 -4.208 -16.855 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -10.997 -4.139 -15.373 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -10.542 -1.163 -14.893 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -10.441 -2.408 -13.626 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -9.063 -1.320 -13.916 1.00 1.24 H new ATOM 725 N GLN A 49 -8.461 -6.153 -17.103 1.00 0.57 N ATOM 726 CA GLN A 49 -8.774 -7.498 -17.609 1.00 0.60 C ATOM 727 C GLN A 49 -7.493 -8.121 -18.185 1.00 0.59 C ATOM 728 O GLN A 49 -7.349 -9.345 -18.235 1.00 0.61 O ATOM 729 CB GLN A 49 -9.862 -7.457 -18.693 1.00 0.67 C ATOM 730 CG GLN A 49 -11.215 -6.949 -18.211 1.00 0.80 C ATOM 731 CD GLN A 49 -12.189 -6.722 -19.351 1.00 1.03 C ATOM 732 OE1 GLN A 49 -12.958 -7.752 -19.687 1.00 1.67 O flip ATOM 733 NE2 GLN A 49 -12.251 -5.634 -19.922 1.00 1.52 N flip ATOM 0 H GLN A 49 -8.854 -5.392 -17.657 1.00 0.57 H new ATOM 0 HA GLN A 49 -9.154 -8.099 -16.783 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -9.520 -6.822 -19.510 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -9.989 -8.460 -19.101 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -11.641 -7.668 -17.511 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -11.076 -6.016 -17.665 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -11.641 -4.870 -19.631 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -12.912 -5.496 -20.686 1.00 1.52 H new ATOM 742 N ASP A 50 -6.572 -7.236 -18.619 1.00 0.58 N ATOM 743 CA ASP A 50 -5.273 -7.630 -19.163 1.00 0.57 C ATOM 744 C ASP A 50 -4.248 -7.776 -18.042 1.00 0.49 C ATOM 745 O ASP A 50 -3.434 -8.701 -18.070 1.00 0.48 O ATOM 746 CB ASP A 50 -4.766 -6.625 -20.199 1.00 0.63 C ATOM 747 CG ASP A 50 -5.325 -6.892 -21.582 1.00 1.03 C ATOM 748 OD1 ASP A 50 -6.171 -6.100 -22.046 1.00 1.83 O ATOM 749 OD2 ASP A 50 -4.917 -7.897 -22.201 1.00 1.48 O ATOM 0 H ASP A 50 -6.717 -6.227 -18.598 1.00 0.58 H new ATOM 0 HA ASP A 50 -5.406 -8.591 -19.660 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -5.039 -5.617 -19.888 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -3.677 -6.663 -20.236 1.00 0.63 H new ATOM 754 N MET A 51 -4.267 -6.843 -17.057 1.00 0.45 N ATOM 755 CA MET A 51 -3.331 -6.940 -15.912 1.00 0.41 C ATOM 756 C MET A 51 -3.547 -8.236 -15.118 1.00 0.39 C ATOM 757 O MET A 51 -2.605 -8.738 -14.497 1.00 0.38 O ATOM 758 CB MET A 51 -3.376 -5.725 -14.963 1.00 0.41 C ATOM 759 CG MET A 51 -2.651 -4.499 -15.498 1.00 0.48 C ATOM 760 SD MET A 51 -2.782 -3.080 -14.393 1.00 1.31 S ATOM 761 CE MET A 51 -2.099 -1.789 -15.427 1.00 1.31 C ATOM 0 H MET A 51 -4.897 -6.042 -17.031 1.00 0.45 H new ATOM 0 HA MET A 51 -2.337 -6.951 -16.359 1.00 0.41 H new ATOM 0 HB2 MET A 51 -4.417 -5.465 -14.771 1.00 0.41 H new ATOM 0 HB3 MET A 51 -2.936 -6.007 -14.006 1.00 0.41 H new ATOM 0 HG2 MET A 51 -1.599 -4.741 -15.650 1.00 0.48 H new ATOM 0 HG3 MET A 51 -3.061 -4.235 -16.473 1.00 0.48 H new ATOM 0 HE1 MET A 51 -1.501 -1.112 -14.817 1.00 1.31 H new ATOM 0 HE2 MET A 51 -1.470 -2.235 -16.197 1.00 1.31 H new ATOM 0 HE3 MET A 51 -2.910 -1.233 -15.898 1.00 1.31 H new ATOM 771 N ILE A 52 -4.785 -8.777 -15.137 1.00 0.41 N ATOM 772 CA ILE A 52 -5.073 -10.044 -14.455 1.00 0.42 C ATOM 773 C ILE A 52 -4.666 -11.251 -15.334 1.00 0.46 C ATOM 774 O ILE A 52 -4.561 -12.375 -14.845 1.00 0.49 O ATOM 775 CB ILE A 52 -6.554 -10.187 -14.007 1.00 0.45 C ATOM 776 CG1 ILE A 52 -6.976 -8.966 -13.162 1.00 0.45 C ATOM 777 CG2 ILE A 52 -6.749 -11.481 -13.241 1.00 0.47 C ATOM 778 CD1 ILE A 52 -7.638 -9.237 -11.793 1.00 0.48 C ATOM 0 H ILE A 52 -5.585 -8.359 -15.611 1.00 0.41 H new ATOM 0 HA ILE A 52 -4.470 -10.034 -13.547 1.00 0.42 H new ATOM 0 HB ILE A 52 -7.191 -10.221 -14.891 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -6.091 -8.354 -12.991 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -7.667 -8.369 -13.757 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -7.791 -11.568 -12.933 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -6.487 -12.325 -13.880 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -6.109 -11.482 -12.359 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -7.881 -8.289 -11.312 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -8.551 -9.814 -11.938 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -6.950 -9.799 -11.161 1.00 0.48 H new ATOM 790 N ASN A 53 -4.422 -10.993 -16.626 1.00 0.49 N ATOM 791 CA ASN A 53 -4.046 -12.014 -17.594 1.00 0.56 C ATOM 792 C ASN A 53 -2.600 -12.453 -17.405 1.00 0.58 C ATOM 793 O ASN A 53 -2.295 -13.646 -17.394 1.00 0.65 O ATOM 794 CB ASN A 53 -4.199 -11.405 -18.964 1.00 0.58 C ATOM 795 CG ASN A 53 -5.073 -12.224 -19.893 1.00 0.65 C ATOM 796 OD1 ASN A 53 -4.587 -13.097 -20.612 1.00 1.27 O ATOM 797 ND2 ASN A 53 -6.371 -11.945 -19.883 1.00 1.35 N ATOM 0 H ASN A 53 -4.483 -10.057 -17.026 1.00 0.49 H new ATOM 0 HA ASN A 53 -4.680 -12.892 -17.465 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -4.624 -10.406 -18.864 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -3.213 -11.288 -19.414 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -7.009 -12.463 -20.488 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -6.731 -11.213 -19.271 1.00 1.35 H new ATOM 804 N GLU A 54 -1.715 -11.459 -17.295 1.00 0.55 N ATOM 805 CA GLU A 54 -0.277 -11.710 -17.092 1.00 0.59 C ATOM 806 C GLU A 54 0.023 -12.194 -15.684 1.00 0.57 C ATOM 807 O GLU A 54 0.981 -12.943 -15.469 1.00 0.62 O ATOM 808 CB GLU A 54 0.560 -10.472 -17.428 1.00 0.61 C ATOM 809 CG GLU A 54 0.651 -10.179 -18.919 1.00 0.79 C ATOM 810 CD GLU A 54 1.487 -8.950 -19.221 1.00 1.15 C ATOM 811 OE1 GLU A 54 2.710 -9.100 -19.426 1.00 1.78 O ATOM 812 OE2 GLU A 54 0.919 -7.839 -19.253 1.00 1.82 O ATOM 0 H GLU A 54 -1.964 -10.471 -17.342 1.00 0.55 H new ATOM 0 HA GLU A 54 0.003 -12.507 -17.781 1.00 0.59 H new ATOM 0 HB2 GLU A 54 0.131 -9.607 -16.923 1.00 0.61 H new ATOM 0 HB3 GLU A 54 1.566 -10.607 -17.031 1.00 0.61 H new ATOM 0 HG2 GLU A 54 1.081 -11.041 -19.429 1.00 0.79 H new ATOM 0 HG3 GLU A 54 -0.353 -10.039 -19.320 1.00 0.79 H new ATOM 819 N VAL A 55 -0.794 -11.763 -14.741 1.00 0.50 N ATOM 820 CA VAL A 55 -0.669 -12.203 -13.361 1.00 0.48 C ATOM 821 C VAL A 55 -1.895 -13.094 -13.097 1.00 0.48 C ATOM 822 O VAL A 55 -2.530 -13.052 -12.042 1.00 0.45 O ATOM 823 CB VAL A 55 -0.542 -11.001 -12.362 1.00 0.44 C ATOM 824 CG1 VAL A 55 -0.167 -11.480 -10.961 1.00 0.47 C ATOM 825 CG2 VAL A 55 0.499 -9.994 -12.847 1.00 0.48 C ATOM 0 H VAL A 55 -1.556 -11.105 -14.905 1.00 0.50 H new ATOM 0 HA VAL A 55 0.251 -12.765 -13.200 1.00 0.48 H new ATOM 0 HB VAL A 55 -1.517 -10.516 -12.319 1.00 0.44 H new ATOM 0 HG11 VAL A 55 -0.087 -10.623 -10.293 1.00 0.47 H new ATOM 0 HG12 VAL A 55 -0.936 -12.158 -10.591 1.00 0.47 H new ATOM 0 HG13 VAL A 55 0.789 -12.001 -10.999 1.00 0.47 H new ATOM 0 HG21 VAL A 55 0.567 -9.170 -12.136 1.00 0.48 H new ATOM 0 HG22 VAL A 55 1.469 -10.484 -12.929 1.00 0.48 H new ATOM 0 HG23 VAL A 55 0.204 -9.608 -13.823 1.00 0.48 H new ATOM 835 N ASP A 56 -2.167 -13.946 -14.108 1.00 0.55 N ATOM 836 CA ASP A 56 -3.320 -14.868 -14.136 1.00 0.60 C ATOM 837 C ASP A 56 -3.362 -15.887 -12.981 1.00 0.61 C ATOM 838 O ASP A 56 -2.641 -16.893 -12.992 1.00 0.65 O ATOM 839 CB ASP A 56 -3.311 -15.617 -15.477 1.00 0.75 C ATOM 840 CG ASP A 56 -4.694 -16.009 -15.956 1.00 0.98 C ATOM 841 OD1 ASP A 56 -5.144 -17.124 -15.620 1.00 1.58 O ATOM 842 OD2 ASP A 56 -5.325 -15.201 -16.670 1.00 1.87 O ATOM 0 H ASP A 56 -1.582 -14.013 -14.941 1.00 0.55 H new ATOM 0 HA ASP A 56 -4.211 -14.252 -14.013 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -2.837 -14.990 -16.232 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -2.700 -16.515 -15.379 1.00 0.75 H new ATOM 847 N ALA A 57 -4.200 -15.589 -11.971 1.00 0.59 N ATOM 848 CA ALA A 57 -4.400 -16.495 -10.834 1.00 0.62 C ATOM 849 C ALA A 57 -5.534 -17.473 -11.121 1.00 0.68 C ATOM 850 O ALA A 57 -5.385 -18.690 -10.976 1.00 0.74 O ATOM 851 CB ALA A 57 -4.717 -15.708 -9.571 1.00 0.60 C ATOM 0 H ALA A 57 -4.746 -14.729 -11.923 1.00 0.59 H new ATOM 0 HA ALA A 57 -3.476 -17.054 -10.683 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -4.862 -16.398 -8.739 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -3.890 -15.035 -9.344 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -5.627 -15.127 -9.723 1.00 0.60 H new ATOM 857 N ASP A 58 -6.662 -16.898 -11.525 1.00 0.68 N ATOM 858 CA ASP A 58 -7.864 -17.650 -11.875 1.00 0.75 C ATOM 859 C ASP A 58 -8.215 -17.441 -13.357 1.00 0.75 C ATOM 860 O ASP A 58 -8.891 -18.269 -13.974 1.00 0.83 O ATOM 861 CB ASP A 58 -8.997 -17.218 -10.926 1.00 0.77 C ATOM 862 CG ASP A 58 -10.376 -17.736 -11.313 1.00 0.90 C ATOM 863 OD1 ASP A 58 -11.234 -16.913 -11.694 1.00 1.36 O ATOM 864 OD2 ASP A 58 -10.592 -18.964 -11.235 1.00 1.62 O ATOM 0 H ASP A 58 -6.770 -15.888 -11.620 1.00 0.68 H new ATOM 0 HA ASP A 58 -7.702 -18.721 -11.751 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -8.762 -17.563 -9.919 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -9.029 -16.129 -10.890 1.00 0.77 H new ATOM 869 N GLY A 59 -7.737 -16.316 -13.898 1.00 0.68 N ATOM 870 CA GLY A 59 -7.906 -15.962 -15.299 1.00 0.68 C ATOM 871 C GLY A 59 -9.308 -15.637 -15.733 1.00 0.72 C ATOM 872 O GLY A 59 -9.575 -15.531 -16.935 1.00 0.75 O ATOM 0 H GLY A 59 -7.216 -15.621 -13.363 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -7.272 -15.102 -15.515 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -7.541 -16.789 -15.909 1.00 0.68 H new ATOM 876 N ASN A 60 -10.204 -15.482 -14.770 1.00 0.73 N ATOM 877 CA ASN A 60 -11.549 -15.064 -15.061 1.00 0.78 C ATOM 878 C ASN A 60 -11.599 -13.569 -14.810 1.00 0.72 C ATOM 879 O ASN A 60 -12.664 -12.955 -14.669 1.00 0.77 O ATOM 880 CB ASN A 60 -12.579 -15.826 -14.214 1.00 0.86 C ATOM 881 CG ASN A 60 -12.707 -17.282 -14.621 1.00 1.28 C ATOM 882 OD1 ASN A 60 -12.003 -18.148 -14.102 1.00 1.86 O ATOM 883 ND2 ASN A 60 -13.609 -17.557 -15.556 1.00 2.03 N ATOM 0 H ASN A 60 -10.014 -15.642 -13.781 1.00 0.73 H new ATOM 0 HA ASN A 60 -11.810 -15.288 -16.095 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -12.293 -15.770 -13.164 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -13.550 -15.340 -14.306 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -13.740 -18.518 -15.871 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -14.171 -16.807 -15.959 1.00 2.03 H new ATOM 890 N GLY A 61 -10.381 -13.005 -14.788 1.00 0.64 N ATOM 891 CA GLY A 61 -10.189 -11.600 -14.525 1.00 0.59 C ATOM 892 C GLY A 61 -10.105 -11.351 -13.041 1.00 0.56 C ATOM 893 O GLY A 61 -10.435 -10.275 -12.538 1.00 0.56 O ATOM 0 H GLY A 61 -9.516 -13.520 -14.953 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -9.277 -11.254 -15.011 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -11.013 -11.028 -14.950 1.00 0.59 H new ATOM 897 N THR A 62 -9.673 -12.391 -12.355 1.00 0.56 N ATOM 898 CA THR A 62 -9.536 -12.377 -10.919 1.00 0.54 C ATOM 899 C THR A 62 -8.162 -12.818 -10.489 1.00 0.50 C ATOM 900 O THR A 62 -7.556 -13.704 -11.099 1.00 0.51 O ATOM 901 CB THR A 62 -10.541 -13.284 -10.208 1.00 0.59 C ATOM 902 OG1 THR A 62 -11.197 -14.162 -11.135 1.00 0.65 O ATOM 903 CG2 THR A 62 -11.566 -12.460 -9.448 1.00 0.62 C ATOM 0 H THR A 62 -9.406 -13.276 -12.786 1.00 0.56 H new ATOM 0 HA THR A 62 -9.721 -11.341 -10.636 1.00 0.54 H new ATOM 0 HB THR A 62 -9.987 -13.895 -9.496 1.00 0.59 H new ATOM 0 HG1 THR A 62 -10.931 -15.088 -10.953 1.00 0.65 H new ATOM 0 HG21 THR A 62 -12.271 -13.126 -8.950 1.00 0.62 H new ATOM 0 HG22 THR A 62 -11.059 -11.845 -8.704 1.00 0.62 H new ATOM 0 HG23 THR A 62 -12.104 -11.817 -10.144 1.00 0.62 H new ATOM 911 N ILE A 63 -7.687 -12.186 -9.431 1.00 0.47 N ATOM 912 CA ILE A 63 -6.415 -12.489 -8.864 1.00 0.45 C ATOM 913 C ILE A 63 -6.602 -12.792 -7.375 1.00 0.46 C ATOM 914 O ILE A 63 -7.366 -12.125 -6.674 1.00 0.48 O ATOM 915 CB ILE A 63 -5.453 -11.313 -9.132 1.00 0.41 C ATOM 916 CG1 ILE A 63 -4.190 -11.757 -9.866 1.00 0.40 C ATOM 917 CG2 ILE A 63 -5.105 -10.578 -7.869 1.00 0.43 C ATOM 918 CD1 ILE A 63 -3.527 -10.628 -10.633 1.00 0.42 C ATOM 0 H ILE A 63 -8.190 -11.442 -8.947 1.00 0.47 H new ATOM 0 HA ILE A 63 -5.970 -13.373 -9.320 1.00 0.45 H new ATOM 0 HB ILE A 63 -5.986 -10.623 -9.786 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -3.481 -12.166 -9.146 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -4.441 -12.561 -10.557 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -4.426 -9.758 -8.101 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -6.014 -10.180 -7.417 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -4.622 -11.262 -7.171 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -2.635 -11.003 -11.134 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -4.222 -10.235 -11.375 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -3.247 -9.833 -9.941 1.00 0.42 H new ATOM 930 N ASP A 64 -5.912 -13.812 -6.937 1.00 0.48 N ATOM 931 CA ASP A 64 -5.963 -14.286 -5.561 1.00 0.51 C ATOM 932 C ASP A 64 -4.708 -13.870 -4.786 1.00 0.54 C ATOM 933 O ASP A 64 -3.817 -13.230 -5.346 1.00 0.54 O ATOM 934 CB ASP A 64 -6.117 -15.804 -5.579 1.00 0.57 C ATOM 935 CG ASP A 64 -7.553 -16.241 -5.789 1.00 0.65 C ATOM 936 OD1 ASP A 64 -7.963 -16.390 -6.960 1.00 1.25 O ATOM 937 OD2 ASP A 64 -8.268 -16.435 -4.784 1.00 1.33 O ATOM 0 H ASP A 64 -5.284 -14.353 -7.531 1.00 0.48 H new ATOM 0 HA ASP A 64 -6.815 -13.836 -5.051 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -5.495 -16.219 -6.372 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -5.750 -16.214 -4.638 1.00 0.57 H new ATOM 942 N PHE A 65 -4.636 -14.267 -3.501 1.00 0.62 N ATOM 943 CA PHE A 65 -3.503 -13.928 -2.617 1.00 0.73 C ATOM 944 C PHE A 65 -2.127 -14.485 -3.086 1.00 0.78 C ATOM 945 O PHE A 65 -1.125 -13.791 -2.899 1.00 0.86 O ATOM 946 CB PHE A 65 -3.791 -14.353 -1.159 1.00 0.82 C ATOM 947 CG PHE A 65 -4.215 -15.790 -0.970 1.00 0.82 C ATOM 948 CD1 PHE A 65 -3.295 -16.750 -0.579 1.00 1.39 C ATOM 949 CD2 PHE A 65 -5.530 -16.175 -1.180 1.00 1.51 C ATOM 950 CE1 PHE A 65 -3.678 -18.066 -0.402 1.00 1.43 C ATOM 951 CE2 PHE A 65 -5.919 -17.489 -1.004 1.00 1.52 C ATOM 952 CZ PHE A 65 -4.991 -18.436 -0.615 1.00 0.90 C ATOM 0 H PHE A 65 -5.357 -14.829 -3.048 1.00 0.62 H new ATOM 0 HA PHE A 65 -3.415 -12.843 -2.671 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -2.895 -14.176 -0.564 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -4.572 -13.707 -0.759 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -2.267 -16.466 -0.411 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -6.259 -15.439 -1.485 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -2.951 -18.804 -0.097 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -6.947 -17.776 -1.170 1.00 1.52 H new ATOM 0 HZ PHE A 65 -5.292 -19.464 -0.478 1.00 0.90 H new ATOM 962 N PRO A 66 -2.019 -15.721 -3.697 1.00 0.79 N ATOM 963 CA PRO A 66 -0.713 -16.262 -4.149 1.00 0.89 C ATOM 964 C PRO A 66 -0.111 -15.485 -5.326 1.00 0.79 C ATOM 965 O PRO A 66 1.113 -15.366 -5.432 1.00 0.82 O ATOM 966 CB PRO A 66 -1.033 -17.705 -4.573 1.00 0.98 C ATOM 967 CG PRO A 66 -2.376 -18.000 -4.001 1.00 0.91 C ATOM 968 CD PRO A 66 -3.100 -16.690 -3.989 1.00 0.75 C ATOM 0 HA PRO A 66 0.033 -16.190 -3.357 1.00 0.89 H new ATOM 0 HB2 PRO A 66 -1.039 -17.803 -5.659 1.00 0.98 H new ATOM 0 HB3 PRO A 66 -0.284 -18.400 -4.194 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -2.907 -18.737 -4.604 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -2.293 -18.412 -2.995 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -3.580 -16.484 -4.946 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -3.881 -16.666 -3.229 1.00 0.75 H new ATOM 976 N GLU A 67 -0.978 -14.978 -6.215 1.00 0.69 N ATOM 977 CA GLU A 67 -0.549 -14.207 -7.373 1.00 0.63 C ATOM 978 C GLU A 67 -0.444 -12.709 -7.060 1.00 0.62 C ATOM 979 O GLU A 67 0.546 -12.072 -7.429 1.00 0.66 O ATOM 980 CB GLU A 67 -1.482 -14.456 -8.552 1.00 0.61 C ATOM 981 CG GLU A 67 -0.926 -15.429 -9.588 1.00 0.70 C ATOM 982 CD GLU A 67 0.251 -14.871 -10.377 1.00 1.12 C ATOM 983 OE1 GLU A 67 0.109 -14.681 -11.602 1.00 1.71 O ATOM 984 OE2 GLU A 67 1.313 -14.625 -9.766 1.00 1.94 O ATOM 0 H GLU A 67 -1.989 -15.094 -6.145 1.00 0.69 H new ATOM 0 HA GLU A 67 0.451 -14.545 -7.642 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -2.430 -14.843 -8.177 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -1.696 -13.505 -9.040 1.00 0.61 H new ATOM 0 HG2 GLU A 67 -0.614 -16.344 -9.084 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -1.721 -15.702 -10.282 1.00 0.70 H new ATOM 991 N PHE A 68 -1.488 -12.156 -6.400 1.00 0.63 N ATOM 992 CA PHE A 68 -1.559 -10.737 -5.986 1.00 0.72 C ATOM 993 C PHE A 68 -0.214 -10.148 -5.531 1.00 0.79 C ATOM 994 O PHE A 68 0.160 -9.053 -5.960 1.00 0.87 O ATOM 995 CB PHE A 68 -2.606 -10.610 -4.861 1.00 0.88 C ATOM 996 CG PHE A 68 -2.960 -9.204 -4.456 1.00 0.91 C ATOM 997 CD1 PHE A 68 -2.294 -8.587 -3.409 1.00 1.54 C ATOM 998 CD2 PHE A 68 -3.965 -8.511 -5.109 1.00 1.84 C ATOM 999 CE1 PHE A 68 -2.624 -7.304 -3.021 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -4.298 -7.227 -4.726 1.00 2.44 C ATOM 1001 CZ PHE A 68 -3.627 -6.623 -3.680 1.00 2.37 C ATOM 0 H PHE A 68 -2.316 -12.691 -6.137 1.00 0.63 H new ATOM 0 HA PHE A 68 -1.846 -10.157 -6.863 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -3.517 -11.118 -5.178 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -2.235 -11.139 -3.983 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -1.508 -9.116 -2.891 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -4.494 -8.979 -5.926 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -2.098 -6.834 -2.203 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -5.082 -6.695 -5.244 1.00 2.44 H new ATOM 0 HZ PHE A 68 -3.887 -5.619 -3.379 1.00 2.37 H new ATOM 1011 N LEU A 69 0.496 -10.877 -4.672 1.00 0.81 N ATOM 1012 CA LEU A 69 1.779 -10.407 -4.141 1.00 0.89 C ATOM 1013 C LEU A 69 2.982 -10.751 -4.993 1.00 0.84 C ATOM 1014 O LEU A 69 4.051 -10.193 -4.772 1.00 0.89 O ATOM 1015 CB LEU A 69 2.047 -10.934 -2.749 1.00 0.99 C ATOM 1016 CG LEU A 69 1.431 -12.294 -2.444 1.00 0.97 C ATOM 1017 CD1 LEU A 69 2.006 -13.380 -3.343 1.00 0.92 C ATOM 1018 CD2 LEU A 69 1.653 -12.651 -0.994 1.00 1.14 C ATOM 0 H LEU A 69 0.208 -11.793 -4.328 1.00 0.81 H new ATOM 0 HA LEU A 69 1.662 -9.323 -4.135 1.00 0.89 H new ATOM 0 HB2 LEU A 69 3.125 -11.000 -2.603 1.00 0.99 H new ATOM 0 HB3 LEU A 69 1.671 -10.211 -2.025 1.00 0.99 H new ATOM 0 HG LEU A 69 0.361 -12.228 -2.640 1.00 0.97 H new ATOM 0 HD11 LEU A 69 1.545 -14.337 -3.098 1.00 0.92 H new ATOM 0 HD12 LEU A 69 1.803 -13.135 -4.385 1.00 0.92 H new ATOM 0 HD13 LEU A 69 3.083 -13.447 -3.190 1.00 0.92 H new ATOM 0 HD21 LEU A 69 1.209 -13.625 -0.787 1.00 1.14 H new ATOM 0 HD22 LEU A 69 2.723 -12.689 -0.788 1.00 1.14 H new ATOM 0 HD23 LEU A 69 1.188 -11.897 -0.358 1.00 1.14 H new ATOM 1030 N THR A 70 2.831 -11.698 -5.924 1.00 0.78 N ATOM 1031 CA THR A 70 3.941 -12.130 -6.800 1.00 0.78 C ATOM 1032 C THR A 70 4.710 -10.936 -7.376 1.00 0.80 C ATOM 1033 O THR A 70 5.850 -11.084 -7.816 1.00 0.79 O ATOM 1034 CB THR A 70 3.425 -13.058 -7.933 1.00 0.80 C ATOM 1035 OG1 THR A 70 2.601 -14.089 -7.375 1.00 0.79 O ATOM 1036 CG2 THR A 70 4.569 -13.705 -8.712 1.00 0.88 C ATOM 0 H THR A 70 1.951 -12.185 -6.096 1.00 0.78 H new ATOM 0 HA THR A 70 4.638 -12.698 -6.184 1.00 0.78 H new ATOM 0 HB THR A 70 2.851 -12.440 -8.624 1.00 0.80 H new ATOM 0 HG1 THR A 70 2.678 -14.900 -7.920 1.00 0.79 H new ATOM 0 HG21 THR A 70 4.160 -14.345 -9.494 1.00 0.88 H new ATOM 0 HG22 THR A 70 5.186 -12.929 -9.164 1.00 0.88 H new ATOM 0 HG23 THR A 70 5.178 -14.304 -8.034 1.00 0.88 H new ATOM 1044 N MET A 71 4.062 -9.772 -7.370 1.00 0.87 N ATOM 1045 CA MET A 71 4.676 -8.545 -7.819 1.00 0.96 C ATOM 1046 C MET A 71 5.425 -7.838 -6.697 1.00 0.97 C ATOM 1047 O MET A 71 6.491 -7.283 -6.955 1.00 1.00 O ATOM 1048 CB MET A 71 3.652 -7.619 -8.473 1.00 1.10 C ATOM 1049 CG MET A 71 3.223 -8.078 -9.855 1.00 1.15 C ATOM 1050 SD MET A 71 4.544 -7.929 -11.074 1.00 1.66 S ATOM 1051 CE MET A 71 3.744 -8.600 -12.528 1.00 1.68 C ATOM 0 H MET A 71 3.099 -9.664 -7.052 1.00 0.87 H new ATOM 0 HA MET A 71 5.413 -8.814 -8.575 1.00 0.96 H new ATOM 0 HB2 MET A 71 2.773 -7.550 -7.832 1.00 1.10 H new ATOM 0 HB3 MET A 71 4.073 -6.616 -8.545 1.00 1.10 H new ATOM 0 HG2 MET A 71 2.896 -9.116 -9.804 1.00 1.15 H new ATOM 0 HG3 MET A 71 2.365 -7.489 -10.180 1.00 1.15 H new ATOM 0 HE1 MET A 71 4.366 -8.415 -13.404 1.00 1.68 H new ATOM 0 HE2 MET A 71 3.604 -9.674 -12.403 1.00 1.68 H new ATOM 0 HE3 MET A 71 2.774 -8.121 -12.664 1.00 1.68 H new ATOM 1061 N MET A 72 4.895 -7.855 -5.451 1.00 0.99 N ATOM 1062 CA MET A 72 5.619 -7.228 -4.336 1.00 1.06 C ATOM 1063 C MET A 72 6.588 -8.248 -3.772 1.00 0.94 C ATOM 1064 O MET A 72 7.548 -7.905 -3.081 1.00 0.95 O ATOM 1065 CB MET A 72 4.702 -6.627 -3.249 1.00 1.23 C ATOM 1066 CG MET A 72 3.439 -7.417 -2.927 1.00 1.37 C ATOM 1067 SD MET A 72 2.274 -6.449 -1.945 1.00 2.19 S ATOM 1068 CE MET A 72 1.049 -7.679 -1.506 1.00 3.08 C ATOM 0 H MET A 72 4.002 -8.281 -5.204 1.00 0.99 H new ATOM 0 HA MET A 72 6.162 -6.365 -4.722 1.00 1.06 H new ATOM 0 HB2 MET A 72 5.282 -6.518 -2.332 1.00 1.23 H new ATOM 0 HB3 MET A 72 4.410 -5.625 -3.562 1.00 1.23 H new ATOM 0 HG2 MET A 72 2.960 -7.730 -3.855 1.00 1.37 H new ATOM 0 HG3 MET A 72 3.706 -8.324 -2.384 1.00 1.37 H new ATOM 0 HE1 MET A 72 0.187 -7.189 -1.054 1.00 3.08 H new ATOM 0 HE2 MET A 72 0.734 -8.215 -2.402 1.00 3.08 H new ATOM 0 HE3 MET A 72 1.480 -8.384 -0.794 1.00 3.08 H new ATOM 1078 N ALA A 73 6.295 -9.515 -4.092 1.00 0.86 N ATOM 1079 CA ALA A 73 7.152 -10.633 -3.762 1.00 0.79 C ATOM 1080 C ALA A 73 8.269 -10.675 -4.802 1.00 0.71 C ATOM 1081 O ALA A 73 9.310 -11.299 -4.581 1.00 0.68 O ATOM 1082 CB ALA A 73 6.371 -11.938 -3.745 1.00 0.80 C ATOM 0 H ALA A 73 5.447 -9.782 -4.591 1.00 0.86 H new ATOM 0 HA ALA A 73 7.568 -10.507 -2.763 1.00 0.79 H new ATOM 0 HB1 ALA A 73 7.041 -12.760 -3.494 1.00 0.80 H new ATOM 0 HB2 ALA A 73 5.577 -11.877 -3.001 1.00 0.80 H new ATOM 0 HB3 ALA A 73 5.934 -12.113 -4.728 1.00 0.80 H new ATOM 1088 N ARG A 74 8.027 -9.993 -5.959 1.00 0.72 N ATOM 1089 CA ARG A 74 8.988 -9.875 -7.008 1.00 0.71 C ATOM 1090 C ARG A 74 10.028 -8.838 -6.626 1.00 0.73 C ATOM 1091 O ARG A 74 11.221 -9.030 -6.856 1.00 0.68 O ATOM 1092 CB ARG A 74 8.229 -9.454 -8.267 1.00 0.83 C ATOM 1093 CG ARG A 74 9.083 -8.908 -9.385 1.00 0.91 C ATOM 1094 CD ARG A 74 9.615 -9.998 -10.307 1.00 1.12 C ATOM 1095 NE ARG A 74 10.353 -9.440 -11.445 1.00 1.47 N ATOM 1096 CZ ARG A 74 10.764 -10.144 -12.510 1.00 1.90 C ATOM 1097 NH1 ARG A 74 10.520 -11.450 -12.609 1.00 2.18 N ATOM 1098 NH2 ARG A 74 11.426 -9.533 -13.482 1.00 2.55 N ATOM 0 H ARG A 74 7.145 -9.521 -6.155 1.00 0.72 H new ATOM 0 HA ARG A 74 9.508 -10.817 -7.183 1.00 0.71 H new ATOM 0 HB2 ARG A 74 7.676 -10.315 -8.642 1.00 0.83 H new ATOM 0 HB3 ARG A 74 7.494 -8.698 -7.992 1.00 0.83 H new ATOM 0 HG2 ARG A 74 8.498 -8.198 -9.969 1.00 0.91 H new ATOM 0 HG3 ARG A 74 9.922 -8.357 -8.960 1.00 0.91 H new ATOM 0 HD2 ARG A 74 10.268 -10.664 -9.743 1.00 1.12 H new ATOM 0 HD3 ARG A 74 8.784 -10.601 -10.674 1.00 1.12 H new ATOM 0 HE ARG A 74 10.570 -8.443 -11.425 1.00 1.47 H new ATOM 0 HH11 ARG A 74 10.012 -11.932 -11.867 1.00 2.18 H new ATOM 0 HH12 ARG A 74 10.841 -11.968 -13.427 1.00 2.18 H new ATOM 0 HH21 ARG A 74 11.620 -8.534 -13.417 1.00 2.55 H new ATOM 0 HH22 ARG A 74 11.742 -10.062 -14.295 1.00 2.55 H new ATOM 1112 N LYS A 75 9.545 -7.723 -6.063 1.00 0.86 N ATOM 1113 CA LYS A 75 10.397 -6.653 -5.584 1.00 0.95 C ATOM 1114 C LYS A 75 11.342 -7.186 -4.503 1.00 0.90 C ATOM 1115 O LYS A 75 12.323 -6.542 -4.126 1.00 0.96 O ATOM 1116 CB LYS A 75 9.521 -5.500 -5.107 1.00 1.19 C ATOM 1117 CG LYS A 75 8.338 -5.285 -6.046 1.00 1.28 C ATOM 1118 CD LYS A 75 8.759 -4.729 -7.393 1.00 1.40 C ATOM 1119 CE LYS A 75 7.575 -4.583 -8.333 1.00 2.25 C ATOM 1120 NZ LYS A 75 7.970 -3.985 -9.639 1.00 2.99 N ATOM 0 H LYS A 75 8.549 -7.547 -5.931 1.00 0.86 H new ATOM 0 HA LYS A 75 11.031 -6.270 -6.384 1.00 0.95 H new ATOM 0 HB2 LYS A 75 9.158 -5.707 -4.101 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.115 -4.588 -5.050 1.00 1.19 H new ATOM 0 HG2 LYS A 75 7.819 -6.232 -6.194 1.00 1.28 H new ATOM 0 HG3 LYS A 75 7.628 -4.601 -5.580 1.00 1.28 H new ATOM 0 HD2 LYS A 75 9.235 -3.759 -7.254 1.00 1.40 H new ATOM 0 HD3 LYS A 75 9.502 -5.387 -7.843 1.00 1.40 H new ATOM 0 HE2 LYS A 75 7.125 -5.561 -8.503 1.00 2.25 H new ATOM 0 HE3 LYS A 75 6.814 -3.959 -7.864 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 7.121 -3.825 -10.218 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 8.453 -3.079 -9.474 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 8.612 -4.634 -10.138 1.00 2.99 H new ATOM 1134 N MET A 76 10.987 -8.389 -4.011 1.00 0.85 N ATOM 1135 CA MET A 76 11.769 -9.130 -3.041 1.00 0.93 C ATOM 1136 C MET A 76 12.867 -9.900 -3.776 1.00 0.83 C ATOM 1137 O MET A 76 14.002 -9.975 -3.297 1.00 0.93 O ATOM 1138 CB MET A 76 10.903 -10.122 -2.250 1.00 1.07 C ATOM 1139 CG MET A 76 9.640 -9.520 -1.668 1.00 0.96 C ATOM 1140 SD MET A 76 8.620 -10.732 -0.807 1.00 1.64 S ATOM 1141 CE MET A 76 7.286 -9.696 -0.212 1.00 2.37 C ATOM 0 H MET A 76 10.131 -8.869 -4.291 1.00 0.85 H new ATOM 0 HA MET A 76 12.198 -8.420 -2.334 1.00 0.93 H new ATOM 0 HB2 MET A 76 10.629 -10.949 -2.904 1.00 1.07 H new ATOM 0 HB3 MET A 76 11.499 -10.541 -1.439 1.00 1.07 H new ATOM 0 HG2 MET A 76 9.909 -8.722 -0.976 1.00 0.96 H new ATOM 0 HG3 MET A 76 9.057 -9.065 -2.469 1.00 0.96 H new ATOM 0 HE1 MET A 76 7.036 -9.977 0.811 1.00 2.37 H new ATOM 0 HE2 MET A 76 7.598 -8.652 -0.236 1.00 2.37 H new ATOM 0 HE3 MET A 76 6.411 -9.828 -0.849 1.00 2.37 H new ATOM 1151 N LYS A 77 12.513 -10.476 -4.955 1.00 0.72 N ATOM 1152 CA LYS A 77 13.478 -11.222 -5.760 1.00 0.79 C ATOM 1153 C LYS A 77 14.309 -10.301 -6.683 1.00 0.78 C ATOM 1154 O LYS A 77 15.322 -10.727 -7.244 1.00 0.91 O ATOM 1155 CB LYS A 77 12.780 -12.358 -6.528 1.00 0.86 C ATOM 1156 CG LYS A 77 11.814 -11.947 -7.634 1.00 0.76 C ATOM 1157 CD LYS A 77 10.474 -12.671 -7.477 1.00 0.89 C ATOM 1158 CE LYS A 77 10.568 -14.172 -7.764 1.00 0.96 C ATOM 1159 NZ LYS A 77 9.249 -14.848 -7.625 1.00 1.75 N ATOM 0 H LYS A 77 11.575 -10.431 -5.353 1.00 0.72 H new ATOM 0 HA LYS A 77 14.196 -11.680 -5.080 1.00 0.79 H new ATOM 0 HB2 LYS A 77 13.549 -12.994 -6.967 1.00 0.86 H new ATOM 0 HB3 LYS A 77 12.234 -12.969 -5.809 1.00 0.86 H new ATOM 0 HG2 LYS A 77 11.656 -10.869 -7.604 1.00 0.76 H new ATOM 0 HG3 LYS A 77 12.247 -12.179 -8.607 1.00 0.76 H new ATOM 0 HD2 LYS A 77 10.104 -12.523 -6.462 1.00 0.89 H new ATOM 0 HD3 LYS A 77 9.744 -12.223 -8.151 1.00 0.89 H new ATOM 0 HE2 LYS A 77 10.950 -14.325 -8.773 1.00 0.96 H new ATOM 0 HE3 LYS A 77 11.284 -14.628 -7.080 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 9.356 -15.862 -7.828 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 8.896 -14.724 -6.655 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 8.573 -14.430 -8.296 1.00 1.75 H new ATOM 1173 N ASP A 78 13.858 -9.046 -6.825 1.00 0.74 N ATOM 1174 CA ASP A 78 14.545 -8.035 -7.641 1.00 0.79 C ATOM 1175 C ASP A 78 14.980 -6.854 -6.767 1.00 0.77 C ATOM 1176 O ASP A 78 14.229 -6.422 -5.890 1.00 0.80 O ATOM 1177 CB ASP A 78 13.631 -7.542 -8.768 1.00 0.84 C ATOM 1178 CG ASP A 78 13.426 -8.587 -9.849 1.00 1.19 C ATOM 1179 OD1 ASP A 78 14.118 -8.511 -10.886 1.00 1.66 O ATOM 1180 OD2 ASP A 78 12.575 -9.480 -9.657 1.00 1.92 O ATOM 0 H ASP A 78 13.008 -8.704 -6.378 1.00 0.74 H new ATOM 0 HA ASP A 78 15.429 -8.494 -8.083 1.00 0.79 H new ATOM 0 HB2 ASP A 78 12.664 -7.261 -8.351 1.00 0.84 H new ATOM 0 HB3 ASP A 78 14.060 -6.644 -9.212 1.00 0.84 H new ATOM 1185 N THR A 79 16.194 -6.336 -7.016 1.00 0.79 N ATOM 1186 CA THR A 79 16.748 -5.219 -6.245 1.00 0.82 C ATOM 1187 C THR A 79 16.334 -3.859 -6.796 1.00 0.73 C ATOM 1188 O THR A 79 17.032 -2.851 -6.630 1.00 0.78 O ATOM 1189 CB THR A 79 18.286 -5.295 -6.121 1.00 0.99 C ATOM 1190 OG1 THR A 79 18.878 -5.452 -7.416 1.00 1.03 O ATOM 1191 CG2 THR A 79 18.714 -6.446 -5.217 1.00 1.15 C ATOM 0 H THR A 79 16.812 -6.679 -7.752 1.00 0.79 H new ATOM 0 HA THR A 79 16.320 -5.319 -5.247 1.00 0.82 H new ATOM 0 HB THR A 79 18.631 -4.363 -5.673 1.00 0.99 H new ATOM 0 HG1 THR A 79 19.853 -5.497 -7.327 1.00 1.03 H new ATOM 0 HG21 THR A 79 19.802 -6.472 -5.151 1.00 1.15 H new ATOM 0 HG22 THR A 79 18.293 -6.303 -4.222 1.00 1.15 H new ATOM 0 HG23 THR A 79 18.353 -7.387 -5.631 1.00 1.15 H new ATOM 1199 N ASP A 80 15.173 -3.853 -7.431 1.00 0.66 N ATOM 1200 CA ASP A 80 14.578 -2.643 -7.994 1.00 0.67 C ATOM 1201 C ASP A 80 13.843 -1.845 -6.894 1.00 0.66 C ATOM 1202 O ASP A 80 13.146 -0.864 -7.176 1.00 0.74 O ATOM 1203 CB ASP A 80 13.618 -3.014 -9.135 1.00 0.77 C ATOM 1204 CG ASP A 80 13.431 -1.886 -10.136 1.00 1.18 C ATOM 1205 OD1 ASP A 80 12.491 -1.083 -9.958 1.00 1.72 O ATOM 1206 OD2 ASP A 80 14.225 -1.808 -11.098 1.00 1.86 O ATOM 0 H ASP A 80 14.610 -4.692 -7.573 1.00 0.66 H new ATOM 0 HA ASP A 80 15.369 -2.012 -8.399 1.00 0.67 H new ATOM 0 HB2 ASP A 80 13.999 -3.894 -9.653 1.00 0.77 H new ATOM 0 HB3 ASP A 80 12.649 -3.286 -8.715 1.00 0.77 H new ATOM 1211 N SER A 81 14.040 -2.283 -5.637 1.00 0.67 N ATOM 1212 CA SER A 81 13.406 -1.684 -4.449 1.00 0.75 C ATOM 1213 C SER A 81 13.922 -0.270 -4.102 1.00 0.68 C ATOM 1214 O SER A 81 13.285 0.435 -3.315 1.00 0.76 O ATOM 1215 CB SER A 81 13.618 -2.619 -3.253 1.00 0.92 C ATOM 1216 OG SER A 81 12.943 -2.151 -2.096 1.00 1.07 O ATOM 0 H SER A 81 14.650 -3.070 -5.416 1.00 0.67 H new ATOM 0 HA SER A 81 12.348 -1.566 -4.682 1.00 0.75 H new ATOM 0 HB2 SER A 81 13.261 -3.618 -3.504 1.00 0.92 H new ATOM 0 HB3 SER A 81 14.684 -2.705 -3.043 1.00 0.92 H new ATOM 0 HG SER A 81 12.923 -1.171 -2.103 1.00 1.07 H new ATOM 1222 N GLU A 82 15.063 0.137 -4.675 1.00 0.62 N ATOM 1223 CA GLU A 82 15.649 1.457 -4.383 1.00 0.63 C ATOM 1224 C GLU A 82 15.090 2.569 -5.287 1.00 0.57 C ATOM 1225 O GLU A 82 14.810 3.672 -4.808 1.00 0.58 O ATOM 1226 CB GLU A 82 17.180 1.398 -4.507 1.00 0.72 C ATOM 1227 CG GLU A 82 17.907 2.528 -3.782 1.00 0.78 C ATOM 1228 CD GLU A 82 19.412 2.459 -3.952 1.00 1.34 C ATOM 1229 OE1 GLU A 82 20.076 1.821 -3.108 1.00 1.65 O ATOM 1230 OE2 GLU A 82 19.927 3.042 -4.929 1.00 2.12 O ATOM 0 H GLU A 82 15.597 -0.423 -5.339 1.00 0.62 H new ATOM 0 HA GLU A 82 15.371 1.707 -3.359 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.529 0.444 -4.113 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.450 1.425 -5.563 1.00 0.72 H new ATOM 0 HG2 GLU A 82 17.547 3.486 -4.157 1.00 0.78 H new ATOM 0 HG3 GLU A 82 17.663 2.489 -2.720 1.00 0.78 H new ATOM 1237 N GLU A 83 14.933 2.275 -6.583 1.00 0.55 N ATOM 1238 CA GLU A 83 14.437 3.261 -7.560 1.00 0.58 C ATOM 1239 C GLU A 83 12.914 3.452 -7.504 1.00 0.59 C ATOM 1240 O GLU A 83 12.395 4.438 -8.037 1.00 0.65 O ATOM 1241 CB GLU A 83 14.848 2.850 -8.979 1.00 0.64 C ATOM 1242 CG GLU A 83 16.328 3.051 -9.272 1.00 0.71 C ATOM 1243 CD GLU A 83 16.706 2.625 -10.676 1.00 0.94 C ATOM 1244 OE1 GLU A 83 17.062 1.443 -10.863 1.00 1.76 O ATOM 1245 OE2 GLU A 83 16.645 3.474 -11.590 1.00 1.27 O ATOM 0 H GLU A 83 15.142 1.361 -6.984 1.00 0.55 H new ATOM 0 HA GLU A 83 14.892 4.215 -7.294 1.00 0.58 H new ATOM 0 HB2 GLU A 83 14.596 1.800 -9.130 1.00 0.64 H new ATOM 0 HB3 GLU A 83 14.264 3.425 -9.697 1.00 0.64 H new ATOM 0 HG2 GLU A 83 16.583 4.102 -9.134 1.00 0.71 H new ATOM 0 HG3 GLU A 83 16.918 2.483 -8.553 1.00 0.71 H new ATOM 1252 N GLU A 84 12.209 2.515 -6.859 1.00 0.60 N ATOM 1253 CA GLU A 84 10.743 2.572 -6.756 1.00 0.68 C ATOM 1254 C GLU A 84 10.245 3.400 -5.562 1.00 0.63 C ATOM 1255 O GLU A 84 9.326 4.198 -5.709 1.00 0.69 O ATOM 1256 CB GLU A 84 10.139 1.150 -6.709 1.00 0.80 C ATOM 1257 CG GLU A 84 10.733 0.207 -5.654 1.00 1.14 C ATOM 1258 CD GLU A 84 10.035 0.303 -4.307 1.00 1.74 C ATOM 1259 OE1 GLU A 84 8.827 -0.005 -4.237 1.00 2.23 O ATOM 1260 OE2 GLU A 84 10.698 0.682 -3.320 1.00 2.31 O ATOM 0 H GLU A 84 12.629 1.707 -6.400 1.00 0.60 H new ATOM 0 HA GLU A 84 10.400 3.084 -7.655 1.00 0.68 H new ATOM 0 HB2 GLU A 84 9.067 1.237 -6.530 1.00 0.80 H new ATOM 0 HB3 GLU A 84 10.262 0.691 -7.690 1.00 0.80 H new ATOM 0 HG2 GLU A 84 10.671 -0.819 -6.016 1.00 1.14 H new ATOM 0 HG3 GLU A 84 11.791 0.436 -5.525 1.00 1.14 H new ATOM 1267 N ILE A 85 10.878 3.210 -4.396 1.00 0.57 N ATOM 1268 CA ILE A 85 10.490 3.879 -3.131 1.00 0.54 C ATOM 1269 C ILE A 85 10.390 5.421 -3.218 1.00 0.50 C ATOM 1270 O ILE A 85 9.658 6.029 -2.431 1.00 0.50 O ATOM 1271 CB ILE A 85 11.441 3.428 -1.970 1.00 0.54 C ATOM 1272 CG1 ILE A 85 10.793 3.648 -0.594 1.00 0.52 C ATOM 1273 CG2 ILE A 85 12.807 4.119 -2.030 1.00 0.57 C ATOM 1274 CD1 ILE A 85 10.993 2.487 0.358 1.00 0.57 C ATOM 0 H ILE A 85 11.679 2.586 -4.296 1.00 0.57 H new ATOM 0 HA ILE A 85 9.472 3.553 -2.918 1.00 0.54 H new ATOM 0 HB ILE A 85 11.607 2.360 -2.110 1.00 0.54 H new ATOM 0 HG12 ILE A 85 11.207 4.551 -0.146 1.00 0.52 H new ATOM 0 HG13 ILE A 85 9.725 3.819 -0.727 1.00 0.52 H new ATOM 0 HG21 ILE A 85 13.427 3.771 -1.204 1.00 0.57 H new ATOM 0 HG22 ILE A 85 13.294 3.880 -2.975 1.00 0.57 H new ATOM 0 HG23 ILE A 85 12.673 5.198 -1.954 1.00 0.57 H new ATOM 0 HD11 ILE A 85 10.510 2.709 1.310 1.00 0.57 H new ATOM 0 HD12 ILE A 85 10.554 1.586 -0.070 1.00 0.57 H new ATOM 0 HD13 ILE A 85 12.059 2.329 0.520 1.00 0.57 H new ATOM 1286 N ARG A 86 11.114 6.039 -4.157 1.00 0.50 N ATOM 1287 CA ARG A 86 11.089 7.483 -4.319 1.00 0.50 C ATOM 1288 C ARG A 86 9.888 7.938 -5.164 1.00 0.52 C ATOM 1289 O ARG A 86 9.320 9.005 -4.914 1.00 0.53 O ATOM 1290 CB ARG A 86 12.406 7.960 -4.923 1.00 0.54 C ATOM 1291 CG ARG A 86 13.652 7.300 -4.338 1.00 1.10 C ATOM 1292 CD ARG A 86 14.871 8.193 -4.485 1.00 1.26 C ATOM 1293 NE ARG A 86 16.080 7.567 -3.938 1.00 1.79 N ATOM 1294 CZ ARG A 86 17.275 8.168 -3.844 1.00 2.08 C ATOM 1295 NH1 ARG A 86 17.451 9.422 -4.257 1.00 1.78 N ATOM 1296 NH2 ARG A 86 18.301 7.504 -3.331 1.00 2.95 N ATOM 0 H ARG A 86 11.724 5.553 -4.815 1.00 0.50 H new ATOM 0 HA ARG A 86 10.972 7.937 -3.335 1.00 0.50 H new ATOM 0 HB2 ARG A 86 12.385 7.777 -5.997 1.00 0.54 H new ATOM 0 HB3 ARG A 86 12.484 9.038 -4.785 1.00 0.54 H new ATOM 0 HG2 ARG A 86 13.487 7.077 -3.284 1.00 1.10 H new ATOM 0 HG3 ARG A 86 13.832 6.350 -4.840 1.00 1.10 H new ATOM 0 HD2 ARG A 86 15.027 8.423 -5.539 1.00 1.26 H new ATOM 0 HD3 ARG A 86 14.691 9.140 -3.976 1.00 1.26 H new ATOM 0 HE ARG A 86 16.006 6.606 -3.605 1.00 1.79 H new ATOM 0 HH11 ARG A 86 16.669 9.943 -4.653 1.00 1.78 H new ATOM 0 HH12 ARG A 86 18.368 9.861 -4.177 1.00 1.78 H new ATOM 0 HH21 ARG A 86 18.178 6.543 -3.011 1.00 2.95 H new ATOM 0 HH22 ARG A 86 19.213 7.954 -3.256 1.00 2.95 H new ATOM 1310 N GLU A 87 9.515 7.120 -6.160 1.00 0.57 N ATOM 1311 CA GLU A 87 8.354 7.390 -7.025 1.00 0.63 C ATOM 1312 C GLU A 87 7.104 6.819 -6.374 1.00 0.62 C ATOM 1313 O GLU A 87 5.990 7.299 -6.600 1.00 0.65 O ATOM 1314 CB GLU A 87 8.556 6.777 -8.410 1.00 0.73 C ATOM 1315 CG GLU A 87 9.697 7.404 -9.200 1.00 0.77 C ATOM 1316 CD GLU A 87 9.950 6.702 -10.519 1.00 1.39 C ATOM 1317 OE1 GLU A 87 9.300 7.068 -11.521 1.00 2.08 O ATOM 1318 OE2 GLU A 87 10.798 5.786 -10.551 1.00 2.02 O ATOM 0 H GLU A 87 10.007 6.256 -6.389 1.00 0.57 H new ATOM 0 HA GLU A 87 8.243 8.467 -7.147 1.00 0.63 H new ATOM 0 HB2 GLU A 87 8.746 5.709 -8.300 1.00 0.73 H new ATOM 0 HB3 GLU A 87 7.633 6.879 -8.980 1.00 0.73 H new ATOM 0 HG2 GLU A 87 9.469 8.453 -9.389 1.00 0.77 H new ATOM 0 HG3 GLU A 87 10.606 7.379 -8.599 1.00 0.77 H new ATOM 1325 N ALA A 88 7.320 5.771 -5.568 1.00 0.60 N ATOM 1326 CA ALA A 88 6.267 5.132 -4.778 1.00 0.62 C ATOM 1327 C ALA A 88 5.797 6.112 -3.705 1.00 0.55 C ATOM 1328 O ALA A 88 4.733 5.947 -3.112 1.00 0.56 O ATOM 1329 CB ALA A 88 6.770 3.829 -4.179 1.00 0.70 C ATOM 0 H ALA A 88 8.238 5.342 -5.447 1.00 0.60 H new ATOM 0 HA ALA A 88 5.419 4.880 -5.414 1.00 0.62 H new ATOM 0 HB1 ALA A 88 5.975 3.366 -3.594 1.00 0.70 H new ATOM 0 HB2 ALA A 88 7.072 3.153 -4.979 1.00 0.70 H new ATOM 0 HB3 ALA A 88 7.624 4.031 -3.533 1.00 0.70 H new ATOM 1335 N PHE A 89 6.652 7.122 -3.456 1.00 0.51 N ATOM 1336 CA PHE A 89 6.349 8.222 -2.539 1.00 0.49 C ATOM 1337 C PHE A 89 5.379 9.150 -3.232 1.00 0.47 C ATOM 1338 O PHE A 89 4.435 9.662 -2.622 1.00 0.47 O ATOM 1339 CB PHE A 89 7.573 9.074 -2.221 1.00 0.51 C ATOM 1340 CG PHE A 89 7.557 9.653 -0.834 1.00 0.53 C ATOM 1341 CD1 PHE A 89 8.148 8.984 0.223 1.00 1.27 C ATOM 1342 CD2 PHE A 89 6.941 10.872 -0.594 1.00 1.19 C ATOM 1343 CE1 PHE A 89 8.125 9.521 1.496 1.00 1.29 C ATOM 1344 CE2 PHE A 89 6.915 11.413 0.674 1.00 1.22 C ATOM 1345 CZ PHE A 89 7.506 10.738 1.720 1.00 0.65 C ATOM 0 H PHE A 89 7.573 7.192 -3.889 1.00 0.51 H new ATOM 0 HA PHE A 89 5.964 7.780 -1.620 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.470 8.467 -2.342 1.00 0.51 H new ATOM 0 HB3 PHE A 89 7.638 9.887 -2.945 1.00 0.51 H new ATOM 0 HD1 PHE A 89 8.632 8.034 0.052 1.00 1.27 H new ATOM 0 HD2 PHE A 89 6.476 11.404 -1.410 1.00 1.19 H new ATOM 0 HE1 PHE A 89 8.589 8.992 2.315 1.00 1.29 H new ATOM 0 HE2 PHE A 89 6.433 12.364 0.847 1.00 1.22 H new ATOM 0 HZ PHE A 89 7.486 11.159 2.714 1.00 0.65 H new ATOM 1355 N ARG A 90 5.647 9.358 -4.539 1.00 0.50 N ATOM 1356 CA ARG A 90 4.837 10.222 -5.372 1.00 0.54 C ATOM 1357 C ARG A 90 3.382 9.754 -5.390 1.00 0.54 C ATOM 1358 O ARG A 90 2.457 10.552 -5.498 1.00 0.60 O ATOM 1359 CB ARG A 90 5.421 10.276 -6.786 1.00 0.62 C ATOM 1360 CG ARG A 90 6.571 11.261 -6.934 1.00 1.26 C ATOM 1361 CD ARG A 90 7.195 11.185 -8.319 1.00 1.50 C ATOM 1362 NE ARG A 90 6.371 11.848 -9.338 1.00 2.03 N ATOM 1363 CZ ARG A 90 6.739 12.039 -10.614 1.00 2.50 C ATOM 1364 NH1 ARG A 90 7.923 11.623 -11.059 1.00 2.61 N ATOM 1365 NH2 ARG A 90 5.911 12.652 -11.449 1.00 3.17 N ATOM 0 H ARG A 90 6.431 8.926 -5.028 1.00 0.50 H new ATOM 0 HA ARG A 90 4.850 11.229 -4.954 1.00 0.54 H new ATOM 0 HB2 ARG A 90 5.768 9.281 -7.065 1.00 0.62 H new ATOM 0 HB3 ARG A 90 4.630 10.546 -7.486 1.00 0.62 H new ATOM 0 HG2 ARG A 90 6.210 12.273 -6.751 1.00 1.26 H new ATOM 0 HG3 ARG A 90 7.330 11.052 -6.180 1.00 1.26 H new ATOM 0 HD2 ARG A 90 8.182 11.647 -8.296 1.00 1.50 H new ATOM 0 HD3 ARG A 90 7.338 10.140 -8.594 1.00 1.50 H new ATOM 0 HE ARG A 90 5.452 12.188 -9.055 1.00 2.03 H new ATOM 0 HH11 ARG A 90 8.568 11.150 -10.426 1.00 2.61 H new ATOM 0 HH12 ARG A 90 8.185 11.777 -12.033 1.00 2.61 H new ATOM 0 HH21 ARG A 90 5.001 12.975 -11.120 1.00 3.17 H new ATOM 0 HH22 ARG A 90 6.184 12.801 -12.420 1.00 3.17 H new ATOM 1379 N VAL A 91 3.219 8.440 -5.231 1.00 0.51 N ATOM 1380 CA VAL A 91 1.916 7.769 -5.166 1.00 0.53 C ATOM 1381 C VAL A 91 0.973 8.479 -4.168 1.00 0.54 C ATOM 1382 O VAL A 91 -0.223 8.650 -4.417 1.00 0.60 O ATOM 1383 CB VAL A 91 2.147 6.295 -4.726 1.00 0.51 C ATOM 1384 CG1 VAL A 91 1.823 6.085 -3.250 1.00 0.47 C ATOM 1385 CG2 VAL A 91 1.378 5.338 -5.613 1.00 0.59 C ATOM 0 H VAL A 91 4.005 7.797 -5.142 1.00 0.51 H new ATOM 0 HA VAL A 91 1.443 7.803 -6.147 1.00 0.53 H new ATOM 0 HB VAL A 91 3.208 6.077 -4.847 1.00 0.51 H new ATOM 0 HG11 VAL A 91 1.998 5.043 -2.984 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.461 6.727 -2.643 1.00 0.47 H new ATOM 0 HG13 VAL A 91 0.778 6.336 -3.068 1.00 0.47 H new ATOM 0 HG21 VAL A 91 1.557 4.314 -5.284 1.00 0.59 H new ATOM 0 HG22 VAL A 91 0.313 5.559 -5.549 1.00 0.59 H new ATOM 0 HG23 VAL A 91 1.711 5.451 -6.645 1.00 0.59 H new ATOM 1395 N PHE A 92 1.577 8.876 -3.042 1.00 0.49 N ATOM 1396 CA PHE A 92 0.923 9.564 -1.952 1.00 0.54 C ATOM 1397 C PHE A 92 1.123 11.066 -2.138 1.00 0.60 C ATOM 1398 O PHE A 92 0.290 11.879 -1.725 1.00 0.69 O ATOM 1399 CB PHE A 92 1.553 9.057 -0.633 1.00 0.53 C ATOM 1400 CG PHE A 92 0.924 9.483 0.682 1.00 1.18 C ATOM 1401 CD1 PHE A 92 0.702 10.818 0.999 1.00 1.94 C ATOM 1402 CD2 PHE A 92 0.598 8.520 1.628 1.00 1.92 C ATOM 1403 CE1 PHE A 92 0.168 11.175 2.220 1.00 2.69 C ATOM 1404 CE2 PHE A 92 0.060 8.874 2.847 1.00 2.68 C ATOM 1405 CZ PHE A 92 -0.156 10.201 3.145 1.00 2.89 C ATOM 0 H PHE A 92 2.570 8.716 -2.871 1.00 0.49 H new ATOM 0 HA PHE A 92 -0.149 9.369 -1.927 1.00 0.54 H new ATOM 0 HB2 PHE A 92 1.552 7.967 -0.663 1.00 0.53 H new ATOM 0 HB3 PHE A 92 2.595 9.375 -0.620 1.00 0.53 H new ATOM 0 HD1 PHE A 92 0.951 11.585 0.281 1.00 1.94 H new ATOM 0 HD2 PHE A 92 0.769 7.477 1.405 1.00 1.92 H new ATOM 0 HE1 PHE A 92 0.003 12.217 2.453 1.00 2.69 H new ATOM 0 HE2 PHE A 92 -0.192 8.111 3.568 1.00 2.68 H new ATOM 0 HZ PHE A 92 -0.578 10.480 4.099 1.00 2.89 H new ATOM 1415 N ALA A 93 2.243 11.401 -2.785 1.00 0.57 N ATOM 1416 CA ALA A 93 2.602 12.792 -3.050 1.00 0.66 C ATOM 1417 C ALA A 93 2.083 13.301 -4.410 1.00 0.85 C ATOM 1418 O ALA A 93 0.964 13.815 -4.494 1.00 1.63 O ATOM 1419 CB ALA A 93 4.115 13.015 -2.932 1.00 0.65 C ATOM 0 H ALA A 93 2.918 10.722 -3.136 1.00 0.57 H new ATOM 0 HA ALA A 93 2.103 13.381 -2.280 1.00 0.66 H new ATOM 0 HB1 ALA A 93 4.346 14.061 -3.136 1.00 0.65 H new ATOM 0 HB2 ALA A 93 4.443 12.761 -1.924 1.00 0.65 H new ATOM 0 HB3 ALA A 93 4.633 12.382 -3.652 1.00 0.65 H new ATOM 1425 N LYS A 94 2.906 13.134 -5.479 1.00 1.24 N ATOM 1426 CA LYS A 94 2.617 13.601 -6.861 1.00 1.42 C ATOM 1427 C LYS A 94 2.454 15.112 -6.980 1.00 1.36 C ATOM 1428 O LYS A 94 2.521 15.660 -8.086 1.00 1.78 O ATOM 1429 CB LYS A 94 1.407 12.885 -7.487 1.00 1.75 C ATOM 1430 CG LYS A 94 1.736 11.503 -8.025 1.00 2.06 C ATOM 1431 CD LYS A 94 2.306 11.556 -9.438 1.00 2.52 C ATOM 1432 CE LYS A 94 2.684 10.172 -9.940 1.00 2.90 C ATOM 1433 NZ LYS A 94 3.272 10.219 -11.306 1.00 3.37 N ATOM 0 H LYS A 94 3.807 12.662 -5.402 1.00 1.24 H new ATOM 0 HA LYS A 94 3.508 13.331 -7.428 1.00 1.42 H new ATOM 0 HB2 LYS A 94 0.619 12.797 -6.739 1.00 1.75 H new ATOM 0 HB3 LYS A 94 1.011 13.497 -8.297 1.00 1.75 H new ATOM 0 HG2 LYS A 94 2.454 11.019 -7.363 1.00 2.06 H new ATOM 0 HG3 LYS A 94 0.835 10.889 -8.021 1.00 2.06 H new ATOM 0 HD2 LYS A 94 1.572 12.000 -10.111 1.00 2.52 H new ATOM 0 HD3 LYS A 94 3.184 12.202 -9.453 1.00 2.52 H new ATOM 0 HE2 LYS A 94 3.398 9.719 -9.253 1.00 2.90 H new ATOM 0 HE3 LYS A 94 1.800 9.534 -9.947 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 3.516 9.256 -11.612 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 2.581 10.628 -11.967 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 4.130 10.807 -11.295 1.00 3.37 H new ATOM 1447 N ASP A 95 2.247 15.771 -5.854 1.00 1.40 N ATOM 1448 CA ASP A 95 2.110 17.212 -5.826 1.00 1.71 C ATOM 1449 C ASP A 95 3.393 17.844 -5.300 1.00 1.53 C ATOM 1450 O ASP A 95 3.478 19.071 -5.162 1.00 1.84 O ATOM 1451 CB ASP A 95 0.906 17.625 -4.972 1.00 2.30 C ATOM 1452 CG ASP A 95 -0.417 17.339 -5.657 1.00 2.81 C ATOM 1453 OD1 ASP A 95 -0.979 18.268 -6.274 1.00 3.23 O ATOM 1454 OD2 ASP A 95 -0.890 16.186 -5.578 1.00 3.21 O ATOM 0 H ASP A 95 2.170 15.324 -4.940 1.00 1.40 H new ATOM 0 HA ASP A 95 1.936 17.570 -6.841 1.00 1.71 H new ATOM 0 HB2 ASP A 95 0.941 17.095 -4.020 1.00 2.30 H new ATOM 0 HB3 ASP A 95 0.972 18.689 -4.747 1.00 2.30 H new ATOM 1459 N GLY A 96 4.407 16.985 -5.043 1.00 1.38 N ATOM 1460 CA GLY A 96 5.702 17.439 -4.506 1.00 1.83 C ATOM 1461 C GLY A 96 5.563 18.419 -3.350 1.00 1.85 C ATOM 1462 O GLY A 96 6.278 19.422 -3.279 1.00 2.43 O ATOM 0 H GLY A 96 4.349 15.979 -5.200 1.00 1.38 H new ATOM 0 HA2 GLY A 96 6.273 16.573 -4.172 1.00 1.83 H new ATOM 0 HA3 GLY A 96 6.274 17.909 -5.305 1.00 1.83 H new ATOM 1466 N ASN A 97 4.628 18.103 -2.456 1.00 1.55 N ATOM 1467 CA ASN A 97 4.302 18.934 -1.285 1.00 1.99 C ATOM 1468 C ASN A 97 5.508 19.216 -0.381 1.00 1.78 C ATOM 1469 O ASN A 97 5.711 20.358 0.043 1.00 2.66 O ATOM 1470 CB ASN A 97 3.189 18.276 -0.457 1.00 2.43 C ATOM 1471 CG ASN A 97 1.843 18.292 -1.158 1.00 3.41 C ATOM 1472 OD1 ASN A 97 1.526 17.208 -1.856 1.00 4.01 O flip ATOM 1473 ND2 ASN A 97 1.093 19.265 -1.067 1.00 4.00 N flip ATOM 0 H ASN A 97 4.066 17.254 -2.520 1.00 1.55 H new ATOM 0 HA ASN A 97 3.967 19.893 -1.680 1.00 1.99 H new ATOM 0 HB2 ASN A 97 3.467 17.245 -0.239 1.00 2.43 H new ATOM 0 HB3 ASN A 97 3.101 18.792 0.499 1.00 2.43 H new ATOM 0 HD21 ASN A 97 1.376 20.078 -0.520 1.00 4.00 H new ATOM 0 HD22 ASN A 97 0.189 19.258 -1.539 1.00 4.00 H new ATOM 1480 N GLY A 98 6.298 18.175 -0.096 1.00 1.20 N ATOM 1481 CA GLY A 98 7.461 18.325 0.774 1.00 1.80 C ATOM 1482 C GLY A 98 7.117 18.109 2.243 1.00 1.46 C ATOM 1483 O GLY A 98 8.006 18.085 3.096 1.00 1.68 O ATOM 0 H GLY A 98 6.153 17.230 -0.453 1.00 1.20 H new ATOM 0 HA2 GLY A 98 8.230 17.613 0.475 1.00 1.80 H new ATOM 0 HA3 GLY A 98 7.882 19.322 0.645 1.00 1.80 H new ATOM 1487 N TYR A 99 5.810 17.979 2.527 1.00 1.07 N ATOM 1488 CA TYR A 99 5.300 17.747 3.884 1.00 0.84 C ATOM 1489 C TYR A 99 3.942 17.038 3.823 1.00 0.81 C ATOM 1490 O TYR A 99 2.900 17.681 3.637 1.00 0.96 O ATOM 1491 CB TYR A 99 5.170 19.072 4.666 1.00 1.07 C ATOM 1492 CG TYR A 99 6.488 19.640 5.150 1.00 1.57 C ATOM 1493 CD1 TYR A 99 7.141 20.637 4.434 1.00 2.28 C ATOM 1494 CD2 TYR A 99 7.078 19.181 6.323 1.00 2.37 C ATOM 1495 CE1 TYR A 99 8.343 21.159 4.872 1.00 3.13 C ATOM 1496 CE2 TYR A 99 8.280 19.700 6.767 1.00 3.24 C ATOM 1497 CZ TYR A 99 8.908 20.688 6.038 1.00 3.46 C ATOM 1498 OH TYR A 99 10.105 21.206 6.477 1.00 4.47 O ATOM 0 H TYR A 99 5.078 18.032 1.819 1.00 1.07 H new ATOM 0 HA TYR A 99 6.014 17.112 4.409 1.00 0.84 H new ATOM 0 HB2 TYR A 99 4.681 19.810 4.030 1.00 1.07 H new ATOM 0 HB3 TYR A 99 4.519 18.911 5.525 1.00 1.07 H new ATOM 0 HD1 TYR A 99 6.702 21.010 3.521 1.00 2.28 H new ATOM 0 HD2 TYR A 99 6.589 18.407 6.896 1.00 2.37 H new ATOM 0 HE1 TYR A 99 8.838 21.933 4.303 1.00 3.13 H new ATOM 0 HE2 TYR A 99 8.725 19.334 7.680 1.00 3.24 H new ATOM 0 HH TYR A 99 10.364 20.767 7.314 1.00 4.47 H new ATOM 1508 N ILE A 100 3.962 15.705 3.956 1.00 1.17 N ATOM 1509 CA ILE A 100 2.727 14.913 3.921 1.00 1.39 C ATOM 1510 C ILE A 100 2.394 14.325 5.298 1.00 1.13 C ATOM 1511 O ILE A 100 2.989 13.340 5.745 1.00 1.43 O ATOM 1512 CB ILE A 100 2.730 13.804 2.824 1.00 2.12 C ATOM 1513 CG1 ILE A 100 4.086 13.097 2.693 1.00 2.36 C ATOM 1514 CG2 ILE A 100 2.324 14.395 1.484 1.00 2.84 C ATOM 1515 CD1 ILE A 100 4.134 11.760 3.391 1.00 3.08 C ATOM 0 H ILE A 100 4.812 15.157 4.088 1.00 1.17 H new ATOM 0 HA ILE A 100 1.937 15.612 3.646 1.00 1.39 H new ATOM 0 HB ILE A 100 2.006 13.051 3.135 1.00 2.12 H new ATOM 0 HG12 ILE A 100 4.313 12.955 1.636 1.00 2.36 H new ATOM 0 HG13 ILE A 100 4.864 13.741 3.103 1.00 2.36 H new ATOM 0 HG21 ILE A 100 2.329 13.613 0.725 1.00 2.84 H new ATOM 0 HG22 ILE A 100 1.323 14.819 1.562 1.00 2.84 H new ATOM 0 HG23 ILE A 100 3.029 15.178 1.203 1.00 2.84 H new ATOM 0 HD11 ILE A 100 5.120 11.315 3.258 1.00 3.08 H new ATOM 0 HD12 ILE A 100 3.938 11.897 4.454 1.00 3.08 H new ATOM 0 HD13 ILE A 100 3.378 11.100 2.965 1.00 3.08 H new ATOM 1527 N SER A 101 1.427 14.980 5.953 1.00 0.79 N ATOM 1528 CA SER A 101 0.931 14.632 7.287 1.00 0.64 C ATOM 1529 C SER A 101 0.218 13.316 7.374 1.00 0.64 C ATOM 1530 O SER A 101 -0.378 12.827 6.413 1.00 0.70 O ATOM 1531 CB SER A 101 0.004 15.746 7.789 1.00 0.71 C ATOM 1532 OG SER A 101 -1.044 15.998 6.867 1.00 1.45 O ATOM 0 H SER A 101 0.955 15.792 5.555 1.00 0.79 H new ATOM 0 HA SER A 101 1.817 14.529 7.914 1.00 0.64 H new ATOM 0 HB2 SER A 101 -0.417 15.464 8.754 1.00 0.71 H new ATOM 0 HB3 SER A 101 0.580 16.658 7.947 1.00 0.71 H new ATOM 0 HG SER A 101 -1.620 16.711 7.213 1.00 1.45 H new ATOM 1538 N ALA A 102 0.319 12.752 8.580 1.00 0.72 N ATOM 1539 CA ALA A 102 -0.356 11.507 8.939 1.00 0.83 C ATOM 1540 C ALA A 102 -1.868 11.696 8.803 1.00 0.77 C ATOM 1541 O ALA A 102 -2.634 10.730 8.782 1.00 0.87 O ATOM 1542 CB ALA A 102 0.002 11.103 10.360 1.00 1.01 C ATOM 0 H ALA A 102 0.875 13.150 9.337 1.00 0.72 H new ATOM 0 HA ALA A 102 -0.031 10.713 8.267 1.00 0.83 H new ATOM 0 HB1 ALA A 102 -0.508 10.174 10.614 1.00 1.01 H new ATOM 0 HB2 ALA A 102 1.080 10.958 10.436 1.00 1.01 H new ATOM 0 HB3 ALA A 102 -0.308 11.887 11.050 1.00 1.01 H new ATOM 1548 N ALA A 103 -2.265 12.980 8.700 1.00 0.68 N ATOM 1549 CA ALA A 103 -3.668 13.378 8.527 1.00 0.71 C ATOM 1550 C ALA A 103 -4.131 13.091 7.097 1.00 0.64 C ATOM 1551 O ALA A 103 -5.331 13.043 6.813 1.00 0.71 O ATOM 1552 CB ALA A 103 -3.846 14.852 8.856 1.00 0.84 C ATOM 0 H ALA A 103 -1.618 13.768 8.735 1.00 0.68 H new ATOM 0 HA ALA A 103 -4.281 12.794 9.214 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -4.891 15.131 8.723 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -3.551 15.032 9.890 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -3.223 15.451 8.192 1.00 0.84 H new ATOM 1558 N GLU A 104 -3.142 12.905 6.209 1.00 0.59 N ATOM 1559 CA GLU A 104 -3.364 12.593 4.803 1.00 0.69 C ATOM 1560 C GLU A 104 -3.796 11.139 4.612 1.00 0.67 C ATOM 1561 O GLU A 104 -4.291 10.773 3.544 1.00 0.74 O ATOM 1562 CB GLU A 104 -2.134 12.910 3.980 1.00 0.85 C ATOM 1563 CG GLU A 104 -1.926 14.402 3.774 1.00 0.99 C ATOM 1564 CD GLU A 104 -0.848 14.735 2.757 1.00 1.24 C ATOM 1565 OE1 GLU A 104 -0.009 15.609 3.057 1.00 1.81 O ATOM 1566 OE2 GLU A 104 -0.847 14.136 1.658 1.00 1.65 O ATOM 0 H GLU A 104 -2.155 12.970 6.459 1.00 0.59 H new ATOM 0 HA GLU A 104 -4.180 13.223 4.449 1.00 0.69 H new ATOM 0 HB2 GLU A 104 -1.256 12.491 4.472 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -2.218 12.423 3.009 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -2.866 14.850 3.453 1.00 0.99 H new ATOM 0 HG3 GLU A 104 -1.665 14.859 4.729 1.00 0.99 H new ATOM 1573 N LEU A 105 -3.563 10.303 5.651 1.00 0.68 N ATOM 1574 CA LEU A 105 -3.954 8.881 5.649 1.00 0.80 C ATOM 1575 C LEU A 105 -5.423 8.683 5.317 1.00 0.68 C ATOM 1576 O LEU A 105 -5.844 7.622 4.847 1.00 0.69 O ATOM 1577 CB LEU A 105 -3.658 8.255 7.003 1.00 1.07 C ATOM 1578 CG LEU A 105 -2.368 7.447 7.061 1.00 1.38 C ATOM 1579 CD1 LEU A 105 -1.431 8.005 8.114 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -2.682 5.987 7.336 1.00 1.81 C ATOM 0 H LEU A 105 -3.100 10.598 6.510 1.00 0.68 H new ATOM 0 HA LEU A 105 -3.367 8.393 4.871 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -3.609 9.046 7.751 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -4.490 7.607 7.278 1.00 1.07 H new ATOM 0 HG LEU A 105 -1.866 7.520 6.096 1.00 1.38 H new ATOM 0 HD11 LEU A 105 -0.516 7.413 8.138 1.00 1.58 H new ATOM 0 HD12 LEU A 105 -1.187 9.040 7.873 1.00 1.58 H new ATOM 0 HD13 LEU A 105 -1.915 7.965 9.090 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -1.754 5.417 7.376 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -3.203 5.900 8.290 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -3.315 5.595 6.540 1.00 1.81 H new ATOM 1592 N ARG A 106 -6.171 9.733 5.577 1.00 0.65 N ATOM 1593 CA ARG A 106 -7.589 9.805 5.322 1.00 0.68 C ATOM 1594 C ARG A 106 -7.836 10.099 3.832 1.00 0.66 C ATOM 1595 O ARG A 106 -8.846 9.668 3.270 1.00 0.74 O ATOM 1596 CB ARG A 106 -8.121 10.908 6.231 1.00 0.79 C ATOM 1597 CG ARG A 106 -9.474 11.508 5.850 1.00 0.97 C ATOM 1598 CD ARG A 106 -9.904 12.585 6.833 1.00 1.46 C ATOM 1599 NE ARG A 106 -11.204 13.165 6.477 1.00 1.70 N ATOM 1600 CZ ARG A 106 -11.869 14.063 7.219 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -11.374 14.506 8.373 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -13.040 14.521 6.798 1.00 2.39 N ATOM 0 H ARG A 106 -5.794 10.588 5.986 1.00 0.65 H new ATOM 0 HA ARG A 106 -8.103 8.867 5.534 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -8.196 10.510 7.243 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -7.386 11.712 6.259 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -9.416 11.932 4.847 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -10.227 10.720 5.820 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -9.958 12.160 7.835 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -9.151 13.372 6.861 1.00 1.46 H new ATOM 0 HE ARG A 106 -11.633 12.864 5.602 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -10.474 14.162 8.707 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -11.895 15.189 8.923 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -13.429 14.190 5.915 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -13.551 15.204 7.357 1.00 2.39 H new ATOM 1616 N HIS A 107 -6.896 10.839 3.209 1.00 0.67 N ATOM 1617 CA HIS A 107 -6.993 11.186 1.789 1.00 0.82 C ATOM 1618 C HIS A 107 -6.613 10.013 0.875 1.00 0.87 C ATOM 1619 O HIS A 107 -7.201 9.861 -0.194 1.00 1.00 O ATOM 1620 CB HIS A 107 -6.106 12.397 1.486 1.00 0.94 C ATOM 1621 CG HIS A 107 -6.605 13.249 0.357 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -6.084 13.189 -0.919 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -7.584 14.184 0.318 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -6.721 14.050 -1.693 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -7.635 14.666 -0.967 1.00 1.46 N ATOM 0 H HIS A 107 -6.064 11.204 3.673 1.00 0.67 H new ATOM 0 HA HIS A 107 -8.035 11.431 1.584 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -6.027 13.010 2.383 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -5.101 12.048 1.248 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -8.208 14.493 1.143 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -6.527 14.221 -2.742 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -8.276 15.384 -1.306 1.00 1.46 H new ATOM 1634 N VAL A 108 -5.628 9.193 1.291 1.00 0.90 N ATOM 1635 CA VAL A 108 -5.195 8.023 0.503 1.00 1.11 C ATOM 1636 C VAL A 108 -6.355 7.028 0.333 1.00 0.96 C ATOM 1637 O VAL A 108 -6.644 6.587 -0.783 1.00 0.99 O ATOM 1638 CB VAL A 108 -3.968 7.288 1.142 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -3.530 6.082 0.310 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -2.784 8.229 1.315 1.00 0.86 C ATOM 0 H VAL A 108 -5.119 9.319 2.166 1.00 0.90 H new ATOM 0 HA VAL A 108 -4.885 8.402 -0.471 1.00 1.11 H new ATOM 0 HB VAL A 108 -4.296 6.939 2.121 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -2.677 5.601 0.788 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -4.354 5.372 0.237 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -3.247 6.413 -0.689 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -1.950 7.687 1.761 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -2.484 8.619 0.342 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -3.068 9.056 1.966 1.00 0.86 H new ATOM 1650 N MET A 109 -7.006 6.684 1.455 1.00 0.88 N ATOM 1651 CA MET A 109 -8.131 5.752 1.460 1.00 0.80 C ATOM 1652 C MET A 109 -9.358 6.274 0.736 1.00 0.72 C ATOM 1653 O MET A 109 -10.027 5.508 0.045 1.00 0.73 O ATOM 1654 CB MET A 109 -8.456 5.340 2.900 1.00 0.80 C ATOM 1655 CG MET A 109 -7.757 4.074 3.304 1.00 1.72 C ATOM 1656 SD MET A 109 -8.307 3.423 4.897 1.00 2.24 S ATOM 1657 CE MET A 109 -7.574 4.593 6.038 1.00 3.24 C ATOM 0 H MET A 109 -6.764 7.045 2.378 1.00 0.88 H new ATOM 0 HA MET A 109 -7.822 4.873 0.894 1.00 0.80 H new ATOM 0 HB2 MET A 109 -8.169 6.143 3.579 1.00 0.80 H new ATOM 0 HB3 MET A 109 -9.533 5.206 3.003 1.00 0.80 H new ATOM 0 HG2 MET A 109 -7.919 3.318 2.536 1.00 1.72 H new ATOM 0 HG3 MET A 109 -6.684 4.259 3.347 1.00 1.72 H new ATOM 0 HE1 MET A 109 -7.130 4.055 6.876 1.00 3.24 H new ATOM 0 HE2 MET A 109 -6.802 5.167 5.525 1.00 3.24 H new ATOM 0 HE3 MET A 109 -8.343 5.270 6.409 1.00 3.24 H new ATOM 1667 N THR A 110 -9.631 7.566 0.854 1.00 0.72 N ATOM 1668 CA THR A 110 -10.782 8.160 0.170 1.00 0.77 C ATOM 1669 C THR A 110 -10.403 8.454 -1.286 1.00 0.89 C ATOM 1670 O THR A 110 -11.282 8.664 -2.127 1.00 0.97 O ATOM 1671 CB THR A 110 -11.290 9.437 0.885 1.00 0.83 C ATOM 1672 OG1 THR A 110 -11.295 9.232 2.303 1.00 0.78 O ATOM 1673 CG2 THR A 110 -12.701 9.815 0.436 1.00 0.97 C ATOM 0 H THR A 110 -9.081 8.221 1.410 1.00 0.72 H new ATOM 0 HA THR A 110 -11.606 7.447 0.195 1.00 0.77 H new ATOM 0 HB THR A 110 -10.614 10.250 0.620 1.00 0.83 H new ATOM 0 HG1 THR A 110 -10.375 9.248 2.639 1.00 0.78 H new ATOM 0 HG21 THR A 110 -13.021 10.715 0.960 1.00 0.97 H new ATOM 0 HG22 THR A 110 -12.704 10.000 -0.638 1.00 0.97 H new ATOM 0 HG23 THR A 110 -13.387 8.999 0.665 1.00 0.97 H new ATOM 1681 N ASN A 111 -9.080 8.487 -1.567 1.00 0.96 N ATOM 1682 CA ASN A 111 -8.576 8.650 -2.938 1.00 1.14 C ATOM 1683 C ASN A 111 -9.092 7.458 -3.748 1.00 1.13 C ATOM 1684 O ASN A 111 -9.364 7.565 -4.947 1.00 1.24 O ATOM 1685 CB ASN A 111 -7.043 8.699 -2.963 1.00 1.26 C ATOM 1686 CG ASN A 111 -6.496 9.374 -4.208 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -6.225 8.720 -5.215 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -6.333 10.691 -4.143 1.00 1.85 N ATOM 0 H ASN A 111 -8.349 8.403 -0.860 1.00 0.96 H new ATOM 0 HA ASN A 111 -8.926 9.591 -3.363 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -6.687 9.231 -2.081 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -6.651 7.684 -2.904 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -5.970 11.200 -4.949 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -6.571 11.193 -3.287 1.00 1.85 H new ATOM 1695 N LEU A 112 -9.211 6.318 -3.039 1.00 1.02 N ATOM 1696 CA LEU A 112 -9.783 5.097 -3.589 1.00 1.04 C ATOM 1697 C LEU A 112 -11.278 5.085 -3.237 1.00 0.95 C ATOM 1698 O LEU A 112 -12.069 4.344 -3.827 1.00 1.02 O ATOM 1699 CB LEU A 112 -9.082 3.864 -3.009 1.00 1.07 C ATOM 1700 CG LEU A 112 -7.600 3.731 -3.369 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -6.773 3.442 -2.127 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -7.399 2.641 -4.411 1.00 1.54 C ATOM 0 H LEU A 112 -8.910 6.229 -2.069 1.00 1.02 H new ATOM 0 HA LEU A 112 -9.648 5.068 -4.670 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -9.175 3.889 -1.923 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -9.605 2.972 -3.353 1.00 1.07 H new ATOM 0 HG LEU A 112 -7.263 4.677 -3.793 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -5.722 3.351 -2.403 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -6.891 4.257 -1.413 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -7.111 2.510 -1.673 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -6.340 2.561 -4.654 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -7.753 1.689 -4.015 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -7.960 2.891 -5.311 1.00 1.54 H new ATOM 1714 N GLY A 113 -11.628 5.939 -2.249 1.00 0.83 N ATOM 1715 CA GLY A 113 -13.001 6.105 -1.785 1.00 0.82 C ATOM 1716 C GLY A 113 -13.429 5.092 -0.749 1.00 0.76 C ATOM 1717 O GLY A 113 -14.607 4.735 -0.656 1.00 0.82 O ATOM 0 H GLY A 113 -10.956 6.528 -1.758 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -13.114 7.106 -1.367 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -13.673 6.039 -2.641 1.00 0.82 H new ATOM 1721 N GLU A 114 -12.452 4.640 0.021 1.00 0.70 N ATOM 1722 CA GLU A 114 -12.638 3.669 1.091 1.00 0.70 C ATOM 1723 C GLU A 114 -13.525 4.229 2.191 1.00 0.73 C ATOM 1724 O GLU A 114 -13.521 5.437 2.449 1.00 0.73 O ATOM 1725 CB GLU A 114 -11.285 3.298 1.664 1.00 0.70 C ATOM 1726 CG GLU A 114 -10.617 2.133 0.947 1.00 0.79 C ATOM 1727 CD GLU A 114 -9.404 1.604 1.686 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -9.588 0.921 2.716 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -8.270 1.868 1.233 1.00 2.12 O ATOM 0 H GLU A 114 -11.484 4.945 -0.082 1.00 0.70 H new ATOM 0 HA GLU A 114 -13.127 2.785 0.680 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -10.629 4.167 1.616 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -11.403 3.045 2.718 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -11.340 1.327 0.822 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -10.318 2.451 -0.052 1.00 0.79 H new ATOM 1736 N LYS A 115 -14.272 3.343 2.830 1.00 0.82 N ATOM 1737 CA LYS A 115 -15.189 3.714 3.857 1.00 0.92 C ATOM 1738 C LYS A 115 -14.751 3.234 5.230 1.00 1.06 C ATOM 1739 O LYS A 115 -14.663 2.031 5.501 1.00 1.21 O ATOM 1740 CB LYS A 115 -16.554 3.178 3.506 1.00 1.04 C ATOM 1741 CG LYS A 115 -17.104 3.743 2.197 1.00 1.05 C ATOM 1742 CD LYS A 115 -18.185 2.847 1.596 1.00 1.31 C ATOM 1743 CE LYS A 115 -17.617 1.872 0.568 1.00 1.23 C ATOM 1744 NZ LYS A 115 -17.247 2.552 -0.706 1.00 1.56 N ATOM 0 H LYS A 115 -14.247 2.342 2.637 1.00 0.82 H new ATOM 0 HA LYS A 115 -15.220 4.802 3.914 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -16.503 2.092 3.432 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -17.247 3.410 4.314 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -17.515 4.737 2.375 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -16.290 3.858 1.482 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -18.676 2.288 2.393 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -18.948 3.467 1.124 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -16.738 1.379 0.984 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -18.352 1.094 0.363 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -17.027 1.838 -1.430 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -18.042 3.140 -1.029 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -16.413 3.154 -0.549 1.00 1.56 H new ATOM 1758 N LEU A 116 -14.467 4.211 6.073 1.00 1.10 N ATOM 1759 CA LEU A 116 -14.032 3.987 7.450 1.00 1.28 C ATOM 1760 C LEU A 116 -14.811 4.903 8.395 1.00 1.19 C ATOM 1761 O LEU A 116 -15.482 5.835 7.938 1.00 1.19 O ATOM 1762 CB LEU A 116 -12.519 4.237 7.567 1.00 1.54 C ATOM 1763 CG LEU A 116 -11.626 2.990 7.467 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -11.356 2.623 6.012 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -10.316 3.217 8.206 1.00 3.12 C ATOM 0 H LEU A 116 -14.531 5.197 5.822 1.00 1.10 H new ATOM 0 HA LEU A 116 -14.232 2.953 7.731 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -12.224 4.936 6.785 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -12.323 4.726 8.521 1.00 1.54 H new ATOM 0 HG LEU A 116 -12.154 2.158 7.933 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -10.722 1.737 5.972 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -12.300 2.417 5.508 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -10.853 3.452 5.515 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -9.694 2.325 8.126 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -9.792 4.065 7.766 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -10.522 3.423 9.256 1.00 3.12 H new ATOM 1777 N THR A 117 -14.725 4.648 9.710 1.00 1.15 N ATOM 1778 CA THR A 117 -15.422 5.486 10.691 1.00 1.08 C ATOM 1779 C THR A 117 -14.520 6.635 11.144 1.00 0.99 C ATOM 1780 O THR A 117 -13.301 6.590 10.945 1.00 0.98 O ATOM 1781 CB THR A 117 -15.918 4.686 11.917 1.00 1.04 C ATOM 1782 OG1 THR A 117 -14.873 3.863 12.430 1.00 1.34 O ATOM 1783 CG2 THR A 117 -17.121 3.823 11.559 1.00 1.40 C ATOM 0 H THR A 117 -14.188 3.880 10.112 1.00 1.15 H new ATOM 0 HA THR A 117 -16.305 5.887 10.192 1.00 1.08 H new ATOM 0 HB THR A 117 -16.220 5.402 12.681 1.00 1.04 H new ATOM 0 HG1 THR A 117 -15.013 2.938 12.139 1.00 1.34 H new ATOM 0 HG21 THR A 117 -17.448 3.272 12.440 1.00 1.40 H new ATOM 0 HG22 THR A 117 -17.933 4.459 11.206 1.00 1.40 H new ATOM 0 HG23 THR A 117 -16.844 3.120 10.774 1.00 1.40 H new ATOM 1791 N ASP A 118 -15.126 7.661 11.755 1.00 1.00 N ATOM 1792 CA ASP A 118 -14.401 8.858 12.217 1.00 1.00 C ATOM 1793 C ASP A 118 -13.280 8.546 13.218 1.00 0.90 C ATOM 1794 O ASP A 118 -12.233 9.197 13.188 1.00 0.96 O ATOM 1795 CB ASP A 118 -15.379 9.856 12.843 1.00 1.07 C ATOM 1796 CG ASP A 118 -16.302 10.492 11.819 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -17.386 9.926 11.565 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -15.940 11.554 11.272 1.00 2.05 O ATOM 0 H ASP A 118 -16.128 7.688 11.944 1.00 1.00 H new ATOM 0 HA ASP A 118 -13.928 9.288 11.334 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -15.977 9.347 13.599 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -14.817 10.637 13.354 1.00 1.07 H new ATOM 1803 N GLU A 119 -13.502 7.556 14.091 1.00 0.82 N ATOM 1804 CA GLU A 119 -12.519 7.182 15.106 1.00 0.81 C ATOM 1805 C GLU A 119 -11.533 6.122 14.630 1.00 0.77 C ATOM 1806 O GLU A 119 -10.361 6.167 15.020 1.00 0.78 O ATOM 1807 CB GLU A 119 -13.213 6.720 16.392 1.00 0.89 C ATOM 1808 CG GLU A 119 -13.862 7.847 17.183 1.00 1.11 C ATOM 1809 CD GLU A 119 -14.563 7.354 18.434 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -15.758 7.002 18.346 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -13.916 7.319 19.501 1.00 2.07 O ATOM 0 H GLU A 119 -14.357 7.000 14.112 1.00 0.82 H new ATOM 0 HA GLU A 119 -11.938 8.082 15.310 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -13.975 5.983 16.137 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -12.483 6.218 17.027 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -13.101 8.576 17.461 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -14.581 8.364 16.548 1.00 1.11 H new ATOM 1818 N GLU A 120 -11.995 5.163 13.807 1.00 0.77 N ATOM 1819 CA GLU A 120 -11.135 4.112 13.275 1.00 0.80 C ATOM 1820 C GLU A 120 -9.912 4.701 12.577 1.00 0.80 C ATOM 1821 O GLU A 120 -8.793 4.224 12.781 1.00 0.81 O ATOM 1822 CB GLU A 120 -11.939 3.235 12.322 1.00 0.97 C ATOM 1823 CG GLU A 120 -12.516 2.002 12.988 1.00 1.21 C ATOM 1824 CD GLU A 120 -13.253 1.101 12.016 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -14.487 1.246 11.890 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -12.595 0.250 11.381 1.00 1.93 O ATOM 0 H GLU A 120 -12.966 5.102 13.500 1.00 0.77 H new ATOM 0 HA GLU A 120 -10.772 3.501 14.101 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -12.751 3.823 11.895 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -11.299 2.927 11.495 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -11.711 1.439 13.460 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -13.198 2.308 13.781 1.00 1.21 H new ATOM 1833 N VAL A 121 -10.132 5.743 11.760 1.00 0.84 N ATOM 1834 CA VAL A 121 -9.061 6.417 11.095 1.00 0.92 C ATOM 1835 C VAL A 121 -8.438 7.507 11.968 1.00 0.88 C ATOM 1836 O VAL A 121 -7.322 7.933 11.691 1.00 0.93 O ATOM 1837 CB VAL A 121 -9.477 6.938 9.706 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -9.778 8.408 9.709 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -8.375 6.638 8.735 1.00 2.24 C ATOM 0 H VAL A 121 -11.057 6.122 11.558 1.00 0.84 H new ATOM 0 HA VAL A 121 -8.280 5.677 10.923 1.00 0.92 H new ATOM 0 HB VAL A 121 -10.398 6.433 9.413 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -10.066 8.723 8.706 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -10.595 8.611 10.401 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -8.892 8.960 10.022 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -8.653 7.001 7.745 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -7.460 7.134 9.059 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -8.210 5.561 8.694 1.00 2.24 H new ATOM 1849 N ASP A 122 -9.157 7.960 13.015 1.00 0.86 N ATOM 1850 CA ASP A 122 -8.616 8.985 13.917 1.00 0.95 C ATOM 1851 C ASP A 122 -7.507 8.388 14.778 1.00 0.84 C ATOM 1852 O ASP A 122 -6.649 9.104 15.299 1.00 0.89 O ATOM 1853 CB ASP A 122 -9.716 9.595 14.793 1.00 1.08 C ATOM 1854 CG ASP A 122 -9.388 11.006 15.252 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -9.735 11.962 14.526 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -8.787 11.154 16.337 1.00 1.76 O ATOM 0 H ASP A 122 -10.095 7.637 13.250 1.00 0.86 H new ATOM 0 HA ASP A 122 -8.198 9.789 13.310 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -10.653 9.608 14.236 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -9.873 8.961 15.666 1.00 1.08 H new ATOM 1861 N GLU A 123 -7.565 7.066 14.925 1.00 0.75 N ATOM 1862 CA GLU A 123 -6.566 6.314 15.651 1.00 0.73 C ATOM 1863 C GLU A 123 -5.433 5.940 14.715 1.00 0.65 C ATOM 1864 O GLU A 123 -4.266 6.065 15.077 1.00 0.65 O ATOM 1865 CB GLU A 123 -7.172 5.068 16.306 1.00 0.78 C ATOM 1866 CG GLU A 123 -7.913 5.358 17.602 1.00 0.92 C ATOM 1867 CD GLU A 123 -8.505 4.110 18.227 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -9.662 3.772 17.898 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -7.811 3.470 19.045 1.00 1.87 O ATOM 0 H GLU A 123 -8.314 6.491 14.539 1.00 0.75 H new ATOM 0 HA GLU A 123 -6.173 6.939 16.453 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -7.859 4.596 15.603 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -6.377 4.350 16.505 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -7.229 5.825 18.311 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -8.710 6.076 17.408 1.00 0.92 H new ATOM 1876 N MET A 124 -5.790 5.505 13.491 1.00 0.63 N ATOM 1877 CA MET A 124 -4.798 5.158 12.464 1.00 0.64 C ATOM 1878 C MET A 124 -4.062 6.418 12.030 1.00 0.64 C ATOM 1879 O MET A 124 -2.946 6.358 11.506 1.00 0.67 O ATOM 1880 CB MET A 124 -5.445 4.488 11.241 1.00 0.70 C ATOM 1881 CG MET A 124 -6.217 3.211 11.550 1.00 1.18 C ATOM 1882 SD MET A 124 -5.172 1.906 12.225 1.00 2.12 S ATOM 1883 CE MET A 124 -6.374 0.600 12.464 1.00 2.40 C ATOM 0 H MET A 124 -6.758 5.387 13.193 1.00 0.63 H new ATOM 0 HA MET A 124 -4.100 4.443 12.899 1.00 0.64 H new ATOM 0 HB2 MET A 124 -6.121 5.200 10.769 1.00 0.70 H new ATOM 0 HB3 MET A 124 -4.666 4.259 10.514 1.00 0.70 H new ATOM 0 HG2 MET A 124 -7.013 3.436 12.260 1.00 1.18 H new ATOM 0 HG3 MET A 124 -6.695 2.852 10.639 1.00 1.18 H new ATOM 0 HE1 MET A 124 -5.879 -0.279 12.878 1.00 2.40 H new ATOM 0 HE2 MET A 124 -7.148 0.939 13.153 1.00 2.40 H new ATOM 0 HE3 MET A 124 -6.828 0.344 11.507 1.00 2.40 H new ATOM 1893 N ILE A 125 -4.724 7.558 12.263 1.00 0.65 N ATOM 1894 CA ILE A 125 -4.174 8.863 11.965 1.00 0.70 C ATOM 1895 C ILE A 125 -3.240 9.283 13.102 1.00 0.66 C ATOM 1896 O ILE A 125 -2.206 9.915 12.868 1.00 0.68 O ATOM 1897 CB ILE A 125 -5.318 9.901 11.785 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -5.064 10.803 10.577 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -5.527 10.747 13.040 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -5.638 10.264 9.282 1.00 0.70 C ATOM 0 H ILE A 125 -5.661 7.589 12.666 1.00 0.65 H new ATOM 0 HA ILE A 125 -3.609 8.818 11.034 1.00 0.70 H new ATOM 0 HB ILE A 125 -6.231 9.332 11.609 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -5.492 11.786 10.772 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -3.989 10.942 10.458 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -6.335 11.458 12.869 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -5.785 10.098 13.877 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -4.610 11.289 13.270 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -5.418 10.957 8.470 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -5.191 9.294 9.062 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -6.718 10.152 9.381 1.00 0.70 H new ATOM 1912 N ARG A 126 -3.635 8.916 14.342 1.00 0.65 N ATOM 1913 CA ARG A 126 -2.855 9.253 15.523 1.00 0.68 C ATOM 1914 C ARG A 126 -1.743 8.270 15.787 1.00 0.64 C ATOM 1915 O ARG A 126 -0.851 8.504 16.610 1.00 0.69 O ATOM 1916 CB ARG A 126 -3.734 9.462 16.760 1.00 0.76 C ATOM 1917 CG ARG A 126 -4.513 10.769 16.746 1.00 1.02 C ATOM 1918 CD ARG A 126 -5.320 10.949 18.021 1.00 1.07 C ATOM 1919 NE ARG A 126 -6.067 12.212 18.025 1.00 1.63 N ATOM 1920 CZ ARG A 126 -6.686 12.730 19.096 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -6.664 12.106 20.273 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -7.333 13.882 18.984 1.00 2.58 N ATOM 0 H ARG A 126 -4.487 8.389 14.536 1.00 0.65 H new ATOM 0 HA ARG A 126 -2.379 10.209 15.304 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -4.436 8.632 16.840 1.00 0.76 H new ATOM 0 HB3 ARG A 126 -3.105 9.434 17.650 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -3.822 11.604 16.630 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -5.182 10.786 15.885 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -6.015 10.116 18.131 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -4.651 10.921 18.881 1.00 1.07 H new ATOM 0 HE ARG A 126 -6.119 12.734 17.150 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -6.170 11.219 20.371 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -7.141 12.516 21.076 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -7.358 14.368 18.088 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -7.806 14.282 19.794 1.00 2.58 H new ATOM 1936 N GLU A 127 -1.823 7.180 15.069 1.00 0.59 N ATOM 1937 CA GLU A 127 -0.827 6.112 15.119 1.00 0.59 C ATOM 1938 C GLU A 127 0.434 6.558 14.366 1.00 0.59 C ATOM 1939 O GLU A 127 1.439 5.841 14.327 1.00 0.63 O ATOM 1940 CB GLU A 127 -1.389 4.837 14.486 1.00 0.61 C ATOM 1941 CG GLU A 127 -2.267 4.009 15.418 1.00 0.66 C ATOM 1942 CD GLU A 127 -3.126 3.004 14.672 1.00 1.28 C ATOM 1943 OE1 GLU A 127 -2.561 2.101 14.021 1.00 1.91 O ATOM 1944 OE2 GLU A 127 -4.368 3.121 14.743 1.00 2.06 O ATOM 0 H GLU A 127 -2.588 6.995 14.420 1.00 0.59 H new ATOM 0 HA GLU A 127 -0.575 5.903 16.159 1.00 0.59 H new ATOM 0 HB2 GLU A 127 -1.970 5.108 13.604 1.00 0.61 H new ATOM 0 HB3 GLU A 127 -0.559 4.219 14.143 1.00 0.61 H new ATOM 0 HG2 GLU A 127 -1.635 3.482 16.133 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -2.910 4.676 15.992 1.00 0.66 H new ATOM 1951 N ALA A 128 0.356 7.771 13.776 1.00 0.59 N ATOM 1952 CA ALA A 128 1.460 8.332 12.986 1.00 0.64 C ATOM 1953 C ALA A 128 1.648 9.842 13.213 1.00 0.63 C ATOM 1954 O ALA A 128 2.482 10.471 12.548 1.00 0.65 O ATOM 1955 CB ALA A 128 1.225 8.045 11.506 1.00 0.72 C ATOM 0 H ALA A 128 -0.463 8.376 13.835 1.00 0.59 H new ATOM 0 HA ALA A 128 2.379 7.850 13.320 1.00 0.64 H new ATOM 0 HB1 ALA A 128 2.044 8.461 10.920 1.00 0.72 H new ATOM 0 HB2 ALA A 128 1.176 6.968 11.348 1.00 0.72 H new ATOM 0 HB3 ALA A 128 0.286 8.501 11.192 1.00 0.72 H new ATOM 1961 N ALA A 129 0.890 10.423 14.160 1.00 0.67 N ATOM 1962 CA ALA A 129 0.983 11.860 14.460 1.00 0.72 C ATOM 1963 C ALA A 129 2.220 12.181 15.308 1.00 0.77 C ATOM 1964 O ALA A 129 2.299 11.797 16.482 1.00 0.86 O ATOM 1965 CB ALA A 129 -0.285 12.336 15.159 1.00 0.83 C ATOM 0 H ALA A 129 0.209 9.920 14.728 1.00 0.67 H new ATOM 0 HA ALA A 129 1.087 12.393 13.515 1.00 0.72 H new ATOM 0 HB1 ALA A 129 -0.203 13.401 15.375 1.00 0.83 H new ATOM 0 HB2 ALA A 129 -1.144 12.162 14.512 1.00 0.83 H new ATOM 0 HB3 ALA A 129 -0.415 11.785 16.091 1.00 0.83 H new ATOM 1971 N ILE A 130 3.192 12.875 14.694 1.00 0.77 N ATOM 1972 CA ILE A 130 4.423 13.253 15.360 1.00 0.87 C ATOM 1973 C ILE A 130 4.309 14.656 15.982 1.00 1.01 C ATOM 1974 O ILE A 130 3.859 15.598 15.326 1.00 1.27 O ATOM 1975 CB ILE A 130 5.646 13.133 14.376 1.00 0.91 C ATOM 1976 CG1 ILE A 130 5.983 14.437 13.579 1.00 1.07 C ATOM 1977 CG2 ILE A 130 5.468 11.950 13.416 1.00 1.28 C ATOM 1978 CD1 ILE A 130 4.913 14.938 12.616 1.00 1.57 C ATOM 0 H ILE A 130 3.135 13.184 13.723 1.00 0.77 H new ATOM 0 HA ILE A 130 4.600 12.559 16.182 1.00 0.87 H new ATOM 0 HB ILE A 130 6.505 12.958 15.023 1.00 0.91 H new ATOM 0 HG12 ILE A 130 6.196 15.230 14.296 1.00 1.07 H new ATOM 0 HG13 ILE A 130 6.898 14.265 13.013 1.00 1.07 H new ATOM 0 HG21 ILE A 130 6.327 11.891 12.748 1.00 1.28 H new ATOM 0 HG22 ILE A 130 5.389 11.026 13.988 1.00 1.28 H new ATOM 0 HG23 ILE A 130 4.561 12.091 12.829 1.00 1.28 H new ATOM 0 HD11 ILE A 130 5.262 15.846 12.124 1.00 1.57 H new ATOM 0 HD12 ILE A 130 4.712 14.173 11.866 1.00 1.57 H new ATOM 0 HD13 ILE A 130 3.999 15.154 13.168 1.00 1.57 H new ATOM 1990 N ASP A 131 4.723 14.773 17.264 1.00 1.22 N ATOM 1991 CA ASP A 131 4.687 16.032 18.050 1.00 1.45 C ATOM 1992 C ASP A 131 3.267 16.582 18.279 1.00 1.44 C ATOM 1993 O ASP A 131 2.966 17.107 19.354 1.00 1.64 O ATOM 1994 CB ASP A 131 5.584 17.085 17.396 1.00 1.64 C ATOM 1995 CG ASP A 131 6.133 18.100 18.385 1.00 2.27 C ATOM 1996 OD1 ASP A 131 7.217 17.851 18.953 1.00 2.70 O ATOM 1997 OD2 ASP A 131 5.477 19.144 18.589 1.00 2.90 O ATOM 0 H ASP A 131 5.098 13.985 17.792 1.00 1.22 H new ATOM 0 HA ASP A 131 5.069 15.790 19.042 1.00 1.45 H new ATOM 0 HB2 ASP A 131 6.415 16.586 16.898 1.00 1.64 H new ATOM 0 HB3 ASP A 131 5.018 17.608 16.625 1.00 1.64 H new ATOM 2002 N GLY A 132 2.425 16.452 17.265 1.00 1.31 N ATOM 2003 CA GLY A 132 1.046 16.924 17.336 1.00 1.35 C ATOM 2004 C GLY A 132 0.550 17.537 16.032 1.00 1.46 C ATOM 2005 O GLY A 132 -0.360 18.370 16.048 1.00 1.75 O ATOM 0 H GLY A 132 2.673 16.020 16.375 1.00 1.31 H new ATOM 0 HA2 GLY A 132 0.398 16.091 17.607 1.00 1.35 H new ATOM 0 HA3 GLY A 132 0.963 17.664 18.132 1.00 1.35 H new ATOM 2009 N ASP A 133 1.150 17.122 14.908 1.00 1.34 N ATOM 2010 CA ASP A 133 0.768 17.618 13.579 1.00 1.49 C ATOM 2011 C ASP A 133 0.658 16.457 12.587 1.00 1.37 C ATOM 2012 O ASP A 133 -0.353 16.322 11.892 1.00 1.69 O ATOM 2013 CB ASP A 133 1.777 18.662 13.073 1.00 1.52 C ATOM 2014 CG ASP A 133 1.749 19.946 13.883 1.00 1.94 C ATOM 2015 OD1 ASP A 133 0.988 20.864 13.513 1.00 2.14 O ATOM 2016 OD2 ASP A 133 2.489 20.032 14.886 1.00 2.60 O ATOM 0 H ASP A 133 1.907 16.439 14.894 1.00 1.34 H new ATOM 0 HA ASP A 133 -0.206 18.099 13.663 1.00 1.49 H new ATOM 0 HB2 ASP A 133 2.780 18.238 13.107 1.00 1.52 H new ATOM 0 HB3 ASP A 133 1.563 18.891 12.029 1.00 1.52 H new ATOM 2021 N GLY A 134 1.709 15.627 12.533 1.00 1.04 N ATOM 2022 CA GLY A 134 1.725 14.468 11.649 1.00 1.15 C ATOM 2023 C GLY A 134 2.395 14.711 10.304 1.00 1.03 C ATOM 2024 O GLY A 134 2.662 13.748 9.580 1.00 1.25 O ATOM 0 H GLY A 134 2.554 15.742 13.092 1.00 1.04 H new ATOM 0 HA2 GLY A 134 2.237 13.649 12.153 1.00 1.15 H new ATOM 0 HA3 GLY A 134 0.699 14.144 11.476 1.00 1.15 H new ATOM 2028 N GLN A 135 2.690 15.982 9.962 1.00 0.84 N ATOM 2029 CA GLN A 135 3.333 16.308 8.673 1.00 0.77 C ATOM 2030 C GLN A 135 4.738 15.723 8.577 1.00 0.74 C ATOM 2031 O GLN A 135 5.601 16.002 9.414 1.00 0.80 O ATOM 2032 CB GLN A 135 3.327 17.816 8.380 1.00 0.80 C ATOM 2033 CG GLN A 135 3.758 18.716 9.539 1.00 1.03 C ATOM 2034 CD GLN A 135 3.686 20.189 9.189 1.00 1.40 C ATOM 2035 OE1 GLN A 135 2.657 20.836 9.383 1.00 2.05 O ATOM 2036 NE2 GLN A 135 4.783 20.727 8.669 1.00 1.98 N ATOM 0 H GLN A 135 2.496 16.791 10.553 1.00 0.84 H new ATOM 0 HA GLN A 135 2.729 15.836 7.898 1.00 0.77 H new ATOM 0 HB2 GLN A 135 3.985 18.006 7.532 1.00 0.80 H new ATOM 0 HB3 GLN A 135 2.321 18.105 8.074 1.00 0.80 H new ATOM 0 HG2 GLN A 135 3.123 18.520 10.403 1.00 1.03 H new ATOM 0 HG3 GLN A 135 4.778 18.465 9.830 1.00 1.03 H new ATOM 0 HE21 GLN A 135 5.614 20.153 8.526 1.00 1.98 H new ATOM 0 HE22 GLN A 135 4.795 21.714 8.413 1.00 1.98 H new ATOM 2045 N VAL A 136 4.941 14.908 7.535 1.00 0.69 N ATOM 2046 CA VAL A 136 6.229 14.214 7.327 1.00 0.68 C ATOM 2047 C VAL A 136 6.597 14.078 5.848 1.00 0.64 C ATOM 2048 O VAL A 136 5.743 13.770 5.021 1.00 0.67 O ATOM 2049 CB VAL A 136 6.255 12.809 7.997 1.00 0.75 C ATOM 2050 CG1 VAL A 136 6.547 12.939 9.483 1.00 0.91 C ATOM 2051 CG2 VAL A 136 4.948 12.039 7.781 1.00 0.88 C ATOM 0 H VAL A 136 4.238 14.710 6.823 1.00 0.69 H new ATOM 0 HA VAL A 136 6.975 14.847 7.807 1.00 0.68 H new ATOM 0 HB VAL A 136 7.051 12.238 7.519 1.00 0.75 H new ATOM 0 HG11 VAL A 136 6.562 11.949 9.939 1.00 0.91 H new ATOM 0 HG12 VAL A 136 7.516 13.418 9.623 1.00 0.91 H new ATOM 0 HG13 VAL A 136 5.772 13.544 9.955 1.00 0.91 H new ATOM 0 HG21 VAL A 136 5.015 11.065 8.267 1.00 0.88 H new ATOM 0 HG22 VAL A 136 4.119 12.602 8.209 1.00 0.88 H new ATOM 0 HG23 VAL A 136 4.779 11.901 6.713 1.00 0.88 H new ATOM 2061 N ASN A 137 7.879 14.317 5.535 1.00 0.63 N ATOM 2062 CA ASN A 137 8.385 14.234 4.159 1.00 0.62 C ATOM 2063 C ASN A 137 9.100 12.887 3.894 1.00 0.59 C ATOM 2064 O ASN A 137 8.992 11.944 4.682 1.00 0.59 O ATOM 2065 CB ASN A 137 9.331 15.429 3.888 1.00 0.66 C ATOM 2066 CG ASN A 137 9.558 15.733 2.403 1.00 0.80 C ATOM 2067 OD1 ASN A 137 8.558 15.471 1.562 1.00 1.18 O flip ATOM 2068 ND2 ASN A 137 10.629 16.203 2.019 1.00 1.45 N flip ATOM 0 H ASN A 137 8.588 14.571 6.223 1.00 0.63 H new ATOM 0 HA ASN A 137 7.539 14.282 3.473 1.00 0.62 H new ATOM 0 HB2 ASN A 137 8.922 16.317 4.370 1.00 0.66 H new ATOM 0 HB3 ASN A 137 10.294 15.228 4.356 1.00 0.66 H new ATOM 0 HD21 ASN A 137 11.373 16.391 2.691 1.00 1.45 H new ATOM 0 HD22 ASN A 137 10.772 16.404 1.029 1.00 1.45 H new ATOM 2075 N TYR A 138 9.826 12.833 2.758 1.00 0.62 N ATOM 2076 CA TYR A 138 10.593 11.660 2.286 1.00 0.66 C ATOM 2077 C TYR A 138 11.539 11.063 3.351 1.00 0.61 C ATOM 2078 O TYR A 138 11.952 9.909 3.225 1.00 0.67 O ATOM 2079 CB TYR A 138 11.367 12.084 1.016 1.00 0.75 C ATOM 2080 CG TYR A 138 12.343 11.066 0.445 1.00 1.21 C ATOM 2081 CD1 TYR A 138 11.943 10.157 -0.524 1.00 1.93 C ATOM 2082 CD2 TYR A 138 13.668 11.030 0.870 1.00 2.03 C ATOM 2083 CE1 TYR A 138 12.832 9.240 -1.051 1.00 2.59 C ATOM 2084 CE2 TYR A 138 14.561 10.115 0.348 1.00 2.76 C ATOM 2085 CZ TYR A 138 14.138 9.223 -0.612 1.00 2.81 C ATOM 2086 OH TYR A 138 15.025 8.310 -1.135 1.00 3.66 O ATOM 0 H TYR A 138 9.897 13.629 2.124 1.00 0.62 H new ATOM 0 HA TYR A 138 9.891 10.856 2.065 1.00 0.66 H new ATOM 0 HB2 TYR A 138 10.642 12.333 0.241 1.00 0.75 H new ATOM 0 HB3 TYR A 138 11.919 12.997 1.241 1.00 0.75 H new ATOM 0 HD1 TYR A 138 10.921 10.166 -0.872 1.00 1.93 H new ATOM 0 HD2 TYR A 138 14.004 11.730 1.621 1.00 2.03 H new ATOM 0 HE1 TYR A 138 12.504 8.539 -1.804 1.00 2.59 H new ATOM 0 HE2 TYR A 138 15.585 10.099 0.691 1.00 2.76 H new ATOM 0 HH TYR A 138 15.904 8.433 -0.719 1.00 3.66 H new ATOM 2096 N GLU A 139 11.881 11.846 4.380 1.00 0.57 N ATOM 2097 CA GLU A 139 12.792 11.394 5.441 1.00 0.60 C ATOM 2098 C GLU A 139 12.192 10.258 6.300 1.00 0.54 C ATOM 2099 O GLU A 139 12.766 9.167 6.365 1.00 0.57 O ATOM 2100 CB GLU A 139 13.194 12.590 6.326 1.00 0.68 C ATOM 2101 CG GLU A 139 14.595 12.491 6.932 1.00 0.89 C ATOM 2102 CD GLU A 139 14.658 11.572 8.140 1.00 1.36 C ATOM 2103 OE1 GLU A 139 14.927 10.367 7.955 1.00 2.24 O ATOM 2104 OE2 GLU A 139 14.438 12.059 9.269 1.00 1.61 O ATOM 0 H GLU A 139 11.540 12.800 4.502 1.00 0.57 H new ATOM 0 HA GLU A 139 13.677 10.981 4.957 1.00 0.60 H new ATOM 0 HB2 GLU A 139 13.133 13.502 5.732 1.00 0.68 H new ATOM 0 HB3 GLU A 139 12.469 12.687 7.134 1.00 0.68 H new ATOM 0 HG2 GLU A 139 15.288 12.131 6.172 1.00 0.89 H new ATOM 0 HG3 GLU A 139 14.930 13.487 7.223 1.00 0.89 H new ATOM 2111 N GLU A 140 11.046 10.520 6.948 1.00 0.51 N ATOM 2112 CA GLU A 140 10.399 9.532 7.826 1.00 0.52 C ATOM 2113 C GLU A 140 9.393 8.632 7.112 1.00 0.47 C ATOM 2114 O GLU A 140 9.339 7.431 7.398 1.00 0.49 O ATOM 2115 CB GLU A 140 9.716 10.236 9.001 1.00 0.59 C ATOM 2116 CG GLU A 140 10.683 10.749 10.059 1.00 1.02 C ATOM 2117 CD GLU A 140 9.975 11.428 11.215 1.00 1.31 C ATOM 2118 OE1 GLU A 140 9.626 10.729 12.189 1.00 1.91 O ATOM 2119 OE2 GLU A 140 9.771 12.659 11.147 1.00 2.02 O ATOM 0 H GLU A 140 10.548 11.408 6.880 1.00 0.51 H new ATOM 0 HA GLU A 140 11.198 8.881 8.182 1.00 0.52 H new ATOM 0 HB2 GLU A 140 9.132 11.074 8.620 1.00 0.59 H new ATOM 0 HB3 GLU A 140 9.015 9.545 9.468 1.00 0.59 H new ATOM 0 HG2 GLU A 140 11.275 9.917 10.439 1.00 1.02 H new ATOM 0 HG3 GLU A 140 11.378 11.452 9.600 1.00 1.02 H new ATOM 2126 N PHE A 141 8.598 9.194 6.188 1.00 0.45 N ATOM 2127 CA PHE A 141 7.574 8.408 5.475 1.00 0.43 C ATOM 2128 C PHE A 141 8.178 7.342 4.548 1.00 0.41 C ATOM 2129 O PHE A 141 7.463 6.448 4.086 1.00 0.44 O ATOM 2130 CB PHE A 141 6.612 9.317 4.708 1.00 0.45 C ATOM 2131 CG PHE A 141 5.167 8.899 4.830 1.00 0.69 C ATOM 2132 CD1 PHE A 141 4.484 9.031 6.034 1.00 1.33 C ATOM 2133 CD2 PHE A 141 4.491 8.378 3.739 1.00 1.55 C ATOM 2134 CE1 PHE A 141 3.161 8.651 6.142 1.00 1.59 C ATOM 2135 CE2 PHE A 141 3.167 7.996 3.843 1.00 1.88 C ATOM 2136 CZ PHE A 141 2.502 8.132 5.046 1.00 1.54 C ATOM 0 H PHE A 141 8.641 10.177 5.918 1.00 0.45 H new ATOM 0 HA PHE A 141 7.009 7.875 6.240 1.00 0.43 H new ATOM 0 HB2 PHE A 141 6.719 10.338 5.074 1.00 0.45 H new ATOM 0 HB3 PHE A 141 6.893 9.324 3.655 1.00 0.45 H new ATOM 0 HD1 PHE A 141 4.995 9.436 6.895 1.00 1.33 H new ATOM 0 HD2 PHE A 141 5.005 8.269 2.795 1.00 1.55 H new ATOM 0 HE1 PHE A 141 2.642 8.760 7.083 1.00 1.59 H new ATOM 0 HE2 PHE A 141 2.652 7.591 2.984 1.00 1.88 H new ATOM 0 HZ PHE A 141 1.468 7.833 5.129 1.00 1.54 H new ATOM 2146 N VAL A 142 9.493 7.442 4.282 1.00 0.42 N ATOM 2147 CA VAL A 142 10.201 6.448 3.466 1.00 0.44 C ATOM 2148 C VAL A 142 10.479 5.218 4.310 1.00 0.46 C ATOM 2149 O VAL A 142 10.413 4.097 3.814 1.00 0.48 O ATOM 2150 CB VAL A 142 11.526 7.000 2.885 1.00 0.48 C ATOM 2151 CG1 VAL A 142 12.659 5.971 2.942 1.00 0.53 C ATOM 2152 CG2 VAL A 142 11.321 7.488 1.453 1.00 0.50 C ATOM 0 H VAL A 142 10.083 8.201 4.621 1.00 0.42 H new ATOM 0 HA VAL A 142 9.562 6.192 2.621 1.00 0.44 H new ATOM 0 HB VAL A 142 11.823 7.842 3.510 1.00 0.48 H new ATOM 0 HG11 VAL A 142 13.567 6.406 2.523 1.00 0.53 H new ATOM 0 HG12 VAL A 142 12.839 5.685 3.978 1.00 0.53 H new ATOM 0 HG13 VAL A 142 12.379 5.089 2.365 1.00 0.53 H new ATOM 0 HG21 VAL A 142 12.263 7.872 1.061 1.00 0.50 H new ATOM 0 HG22 VAL A 142 10.981 6.660 0.832 1.00 0.50 H new ATOM 0 HG23 VAL A 142 10.573 8.281 1.442 1.00 0.50 H new ATOM 2162 N GLN A 143 10.807 5.451 5.591 1.00 0.49 N ATOM 2163 CA GLN A 143 11.069 4.372 6.531 1.00 0.54 C ATOM 2164 C GLN A 143 9.812 3.518 6.699 1.00 0.52 C ATOM 2165 O GLN A 143 9.889 2.307 6.929 1.00 0.57 O ATOM 2166 CB GLN A 143 11.523 4.955 7.864 1.00 0.59 C ATOM 2167 CG GLN A 143 12.480 4.064 8.644 1.00 0.64 C ATOM 2168 CD GLN A 143 12.879 4.664 9.979 1.00 0.89 C ATOM 2169 OE1 GLN A 143 13.867 5.392 10.075 1.00 1.62 O ATOM 2170 NE2 GLN A 143 12.111 4.358 11.018 1.00 1.55 N ATOM 0 H GLN A 143 10.895 6.385 5.992 1.00 0.49 H new ATOM 0 HA GLN A 143 11.865 3.733 6.149 1.00 0.54 H new ATOM 0 HB2 GLN A 143 12.006 5.915 7.682 1.00 0.59 H new ATOM 0 HB3 GLN A 143 10.645 5.152 8.479 1.00 0.59 H new ATOM 0 HG2 GLN A 143 12.012 3.094 8.811 1.00 0.64 H new ATOM 0 HG3 GLN A 143 13.375 3.888 8.047 1.00 0.64 H new ATOM 0 HE21 GLN A 143 11.301 3.750 10.892 1.00 1.55 H new ATOM 0 HE22 GLN A 143 12.331 4.730 11.942 1.00 1.55 H new ATOM 2179 N MET A 144 8.654 4.188 6.577 1.00 0.49 N ATOM 2180 CA MET A 144 7.348 3.547 6.608 1.00 0.49 C ATOM 2181 C MET A 144 7.202 2.701 5.334 1.00 0.51 C ATOM 2182 O MET A 144 6.452 1.722 5.300 1.00 0.58 O ATOM 2183 CB MET A 144 6.250 4.639 6.699 1.00 0.52 C ATOM 2184 CG MET A 144 4.861 4.255 6.171 1.00 0.93 C ATOM 2185 SD MET A 144 4.018 3.041 7.196 1.00 2.33 S ATOM 2186 CE MET A 144 2.468 2.928 6.310 1.00 3.20 C ATOM 0 H MET A 144 8.608 5.199 6.453 1.00 0.49 H new ATOM 0 HA MET A 144 7.244 2.896 7.476 1.00 0.49 H new ATOM 0 HB2 MET A 144 6.149 4.936 7.743 1.00 0.52 H new ATOM 0 HB3 MET A 144 6.594 5.516 6.150 1.00 0.52 H new ATOM 0 HG2 MET A 144 4.246 5.152 6.103 1.00 0.93 H new ATOM 0 HG3 MET A 144 4.961 3.859 5.160 1.00 0.93 H new ATOM 0 HE1 MET A 144 1.683 2.597 6.990 1.00 3.20 H new ATOM 0 HE2 MET A 144 2.208 3.906 5.905 1.00 3.20 H new ATOM 0 HE3 MET A 144 2.567 2.212 5.494 1.00 3.20 H new ATOM 2196 N MET A 145 7.947 3.118 4.295 1.00 0.49 N ATOM 2197 CA MET A 145 7.947 2.443 3.002 1.00 0.56 C ATOM 2198 C MET A 145 9.034 1.358 2.915 1.00 0.62 C ATOM 2199 O MET A 145 8.856 0.370 2.197 1.00 0.75 O ATOM 2200 CB MET A 145 8.125 3.472 1.880 1.00 0.58 C ATOM 2201 CG MET A 145 6.977 4.468 1.780 1.00 1.52 C ATOM 2202 SD MET A 145 7.180 5.647 0.434 1.00 2.50 S ATOM 2203 CE MET A 145 5.693 6.622 0.640 1.00 3.22 C ATOM 0 H MET A 145 8.562 3.931 4.336 1.00 0.49 H new ATOM 0 HA MET A 145 6.986 1.942 2.888 1.00 0.56 H new ATOM 0 HB2 MET A 145 9.055 4.017 2.042 1.00 0.58 H new ATOM 0 HB3 MET A 145 8.224 2.948 0.930 1.00 0.58 H new ATOM 0 HG2 MET A 145 6.043 3.924 1.641 1.00 1.52 H new ATOM 0 HG3 MET A 145 6.892 5.011 2.721 1.00 1.52 H new ATOM 0 HE1 MET A 145 4.968 6.345 -0.125 1.00 3.22 H new ATOM 0 HE2 MET A 145 5.269 6.435 1.627 1.00 3.22 H new ATOM 0 HE3 MET A 145 5.936 7.680 0.544 1.00 3.22 H new ATOM 2213 N THR A 146 10.160 1.541 3.643 1.00 0.59 N ATOM 2214 CA THR A 146 11.258 0.579 3.629 1.00 0.68 C ATOM 2215 C THR A 146 11.031 -0.577 4.607 1.00 0.78 C ATOM 2216 O THR A 146 11.542 -1.682 4.399 1.00 0.89 O ATOM 2217 CB THR A 146 12.606 1.244 3.978 1.00 0.69 C ATOM 2218 OG1 THR A 146 12.402 2.526 4.581 1.00 0.63 O ATOM 2219 CG2 THR A 146 13.488 1.398 2.747 1.00 0.71 C ATOM 0 H THR A 146 10.321 2.350 4.244 1.00 0.59 H new ATOM 0 HA THR A 146 11.289 0.189 2.612 1.00 0.68 H new ATOM 0 HB THR A 146 13.111 0.589 4.688 1.00 0.69 H new ATOM 0 HG1 THR A 146 11.912 3.105 3.960 1.00 0.63 H new ATOM 0 HG21 THR A 146 14.429 1.870 3.030 1.00 0.71 H new ATOM 0 HG22 THR A 146 13.689 0.416 2.318 1.00 0.71 H new ATOM 0 HG23 THR A 146 12.979 2.018 2.010 1.00 0.71 H new ATOM 2227 N ALA A 147 10.263 -0.307 5.667 1.00 0.77 N ATOM 2228 CA ALA A 147 9.946 -1.297 6.684 1.00 0.88 C ATOM 2229 C ALA A 147 8.675 -2.071 6.337 1.00 0.94 C ATOM 2230 O ALA A 147 7.765 -1.530 5.703 1.00 0.91 O ATOM 2231 CB ALA A 147 9.804 -0.627 8.041 1.00 0.90 C ATOM 0 H ALA A 147 9.846 0.608 5.838 1.00 0.77 H new ATOM 0 HA ALA A 147 10.768 -2.012 6.723 1.00 0.88 H new ATOM 0 HB1 ALA A 147 9.567 -1.378 8.795 1.00 0.90 H new ATOM 0 HB2 ALA A 147 10.740 -0.133 8.303 1.00 0.90 H new ATOM 0 HB3 ALA A 147 9.003 0.112 8.000 1.00 0.90 H new ATOM 2237 N LYS A 148 8.628 -3.336 6.764 1.00 1.08 N ATOM 2238 CA LYS A 148 7.475 -4.207 6.507 1.00 1.19 C ATOM 2239 C LYS A 148 7.021 -4.909 7.788 1.00 1.63 C ATOM 2240 O LYS A 148 5.877 -4.660 8.223 1.00 2.21 O ATOM 2241 CB LYS A 148 7.766 -5.248 5.396 1.00 1.53 C ATOM 2242 CG LYS A 148 9.187 -5.814 5.377 1.00 2.17 C ATOM 2243 CD LYS A 148 10.120 -4.921 4.574 1.00 2.29 C ATOM 2244 CE LYS A 148 11.575 -5.329 4.743 1.00 3.11 C ATOM 2245 NZ LYS A 148 12.492 -4.453 3.961 1.00 3.56 N ATOM 2246 OXT LYS A 148 7.816 -5.694 8.352 1.00 2.14 O ATOM 0 H LYS A 148 9.378 -3.782 7.292 1.00 1.08 H new ATOM 0 HA LYS A 148 6.667 -3.566 6.154 1.00 1.19 H new ATOM 0 HB2 LYS A 148 7.066 -6.076 5.506 1.00 1.53 H new ATOM 0 HB3 LYS A 148 7.565 -4.787 4.429 1.00 1.53 H new ATOM 0 HG2 LYS A 148 9.558 -5.909 6.398 1.00 2.17 H new ATOM 0 HG3 LYS A 148 9.177 -6.816 4.947 1.00 2.17 H new ATOM 0 HD2 LYS A 148 9.849 -4.968 3.519 1.00 2.29 H new ATOM 0 HD3 LYS A 148 9.994 -3.886 4.890 1.00 2.29 H new ATOM 0 HE2 LYS A 148 11.844 -5.286 5.798 1.00 3.11 H new ATOM 0 HE3 LYS A 148 11.701 -6.364 4.424 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 13.464 -4.565 4.314 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 12.455 -4.720 2.957 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 12.198 -3.461 4.066 1.00 3.56 H new TER 2260 LYS A 148 ATOM 2261 N ALA B 503 20.498 -9.994 26.034 1.00 0.00 N ATOM 2262 CA ALA B 503 21.028 -9.367 24.796 1.00 0.00 C ATOM 2263 C ALA B 503 19.911 -9.105 23.792 1.00 0.00 C ATOM 2264 O ALA B 503 19.096 -9.991 23.515 1.00 0.00 O ATOM 2265 CB ALA B 503 22.098 -10.252 24.174 1.00 0.00 C ATOM 0 HA ALA B 503 21.473 -8.409 25.065 1.00 0.00 H new ATOM 0 HB1 ALA B 503 22.478 -9.781 23.267 1.00 0.00 H new ATOM 0 HB2 ALA B 503 22.915 -10.387 24.883 1.00 0.00 H new ATOM 0 HB3 ALA B 503 21.668 -11.223 23.926 1.00 0.00 H new ATOM 2273 N GLY B 504 19.885 -7.881 23.255 1.00 0.00 N ATOM 2274 CA GLY B 504 18.870 -7.499 22.283 1.00 0.00 C ATOM 2275 C GLY B 504 18.997 -6.051 21.846 1.00 0.00 C ATOM 2276 O GLY B 504 20.051 -5.433 22.026 1.00 0.00 O ATOM 0 H GLY B 504 20.554 -7.145 23.479 1.00 0.00 H new ATOM 0 HA2 GLY B 504 18.947 -8.146 21.409 1.00 0.00 H new ATOM 0 HA3 GLY B 504 17.881 -7.660 22.713 1.00 0.00 H new ATOM 2280 N HIS B 505 17.915 -5.516 21.270 1.00 0.00 N ATOM 2281 CA HIS B 505 17.886 -4.132 20.798 1.00 0.00 C ATOM 2282 C HIS B 505 16.659 -3.404 21.346 1.00 0.00 C ATOM 2283 O HIS B 505 15.548 -3.942 21.322 1.00 0.00 O ATOM 2284 CB HIS B 505 17.884 -4.096 19.264 1.00 0.00 C ATOM 2285 CG HIS B 505 18.449 -2.833 18.683 1.00 0.00 C ATOM 2286 ND1 HIS B 505 17.661 -1.806 18.205 1.00 0.00 N ATOM 2287 CD2 HIS B 505 19.731 -2.435 18.505 1.00 0.00 C ATOM 2288 CE1 HIS B 505 18.435 -0.833 17.756 1.00 0.00 C ATOM 2289 NE2 HIS B 505 19.693 -1.190 17.928 1.00 0.00 N ATOM 0 H HIS B 505 17.044 -6.026 21.120 1.00 0.00 H new ATOM 0 HA HIS B 505 18.779 -3.623 21.161 1.00 0.00 H new ATOM 0 HB2 HIS B 505 18.457 -4.944 18.890 1.00 0.00 H new ATOM 0 HB3 HIS B 505 16.861 -4.221 18.909 1.00 0.00 H new ATOM 0 HD2 HIS B 505 20.618 -2.993 18.768 1.00 0.00 H new ATOM 0 HE1 HIS B 505 18.095 0.096 17.322 1.00 0.00 H new ATOM 0 HE2 HIS B 505 20.507 -0.631 17.673 1.00 0.00 H new ATOM 2298 N MET B 506 16.877 -2.180 21.836 1.00 0.00 N ATOM 2299 CA MET B 506 15.802 -1.358 22.395 1.00 0.00 C ATOM 2300 C MET B 506 15.356 -0.298 21.393 1.00 0.00 C ATOM 2301 O MET B 506 16.190 0.333 20.737 1.00 0.00 O ATOM 2302 CB MET B 506 16.257 -0.685 23.694 1.00 0.00 C ATOM 2303 CG MET B 506 16.328 -1.629 24.887 1.00 0.00 C ATOM 2304 SD MET B 506 17.580 -2.912 24.691 1.00 0.00 S ATOM 2305 CE MET B 506 17.398 -3.803 26.234 1.00 0.00 C ATOM 0 H MET B 506 17.795 -1.735 21.856 1.00 0.00 H new ATOM 0 HA MET B 506 14.958 -2.012 22.613 1.00 0.00 H new ATOM 0 HB2 MET B 506 17.240 -0.240 23.536 1.00 0.00 H new ATOM 0 HB3 MET B 506 15.572 0.130 23.928 1.00 0.00 H new ATOM 0 HG2 MET B 506 16.542 -1.053 25.787 1.00 0.00 H new ATOM 0 HG3 MET B 506 15.354 -2.097 25.032 1.00 0.00 H new ATOM 0 HE1 MET B 506 18.108 -4.630 26.263 1.00 0.00 H new ATOM 0 HE2 MET B 506 17.592 -3.129 27.068 1.00 0.00 H new ATOM 0 HE3 MET B 506 16.383 -4.193 26.311 1.00 0.00 H new ATOM 2315 N ARG B 507 14.036 -0.114 21.286 1.00 0.00 N ATOM 2316 CA ARG B 507 13.456 0.869 20.366 1.00 0.00 C ATOM 2317 C ARG B 507 13.098 2.171 21.105 1.00 0.00 C ATOM 2318 O ARG B 507 12.894 2.140 22.323 1.00 0.00 O ATOM 2319 CB ARG B 507 12.206 0.294 19.687 1.00 0.00 C ATOM 2320 CG ARG B 507 12.506 -0.763 18.634 1.00 0.00 C ATOM 2321 CD ARG B 507 11.229 -1.319 18.025 1.00 0.00 C ATOM 2322 NE ARG B 507 11.504 -2.340 17.008 1.00 0.00 N ATOM 2323 CZ ARG B 507 10.564 -3.031 16.345 1.00 0.00 C ATOM 2324 NH1 ARG B 507 9.268 -2.827 16.576 1.00 0.00 N ATOM 2325 NH2 ARG B 507 10.928 -3.933 15.444 1.00 0.00 N ATOM 0 H ARG B 507 13.347 -0.636 21.828 1.00 0.00 H new ATOM 0 HA ARG B 507 14.202 1.097 19.605 1.00 0.00 H new ATOM 0 HB2 ARG B 507 11.558 -0.140 20.449 1.00 0.00 H new ATOM 0 HB3 ARG B 507 11.650 1.108 19.222 1.00 0.00 H new ATOM 0 HG2 ARG B 507 13.127 -0.331 17.849 1.00 0.00 H new ATOM 0 HG3 ARG B 507 13.079 -1.574 19.083 1.00 0.00 H new ATOM 0 HD2 ARG B 507 10.609 -1.749 18.812 1.00 0.00 H new ATOM 0 HD3 ARG B 507 10.657 -0.506 17.577 1.00 0.00 H new ATOM 0 HE ARG B 507 12.480 -2.539 16.789 1.00 0.00 H new ATOM 0 HH11 ARG B 507 8.976 -2.136 17.267 1.00 0.00 H new ATOM 0 HH12 ARG B 507 8.568 -3.362 16.062 1.00 0.00 H new ATOM 0 HH21 ARG B 507 11.917 -4.098 15.258 1.00 0.00 H new ATOM 0 HH22 ARG B 507 10.219 -4.462 14.936 1.00 0.00 H new ATOM 2339 N PRO B 508 13.010 3.345 20.395 1.00 0.00 N ATOM 2340 CA PRO B 508 12.671 4.635 21.030 1.00 0.00 C ATOM 2341 C PRO B 508 11.176 4.777 21.346 1.00 0.00 C ATOM 2342 O PRO B 508 10.808 5.367 22.366 1.00 0.00 O ATOM 2343 CB PRO B 508 13.093 5.687 19.986 1.00 0.00 C ATOM 2344 CG PRO B 508 13.764 4.937 18.879 1.00 0.00 C ATOM 2345 CD PRO B 508 13.239 3.533 18.945 1.00 0.00 C ATOM 0 HA PRO B 508 13.173 4.740 21.992 1.00 0.00 H new ATOM 0 HB2 PRO B 508 12.227 6.235 19.615 1.00 0.00 H new ATOM 0 HB3 PRO B 508 13.770 6.420 20.425 1.00 0.00 H new ATOM 0 HG2 PRO B 508 13.543 5.390 17.912 1.00 0.00 H new ATOM 0 HG3 PRO B 508 14.847 4.953 18.999 1.00 0.00 H new ATOM 0 HD2 PRO B 508 12.320 3.416 18.370 1.00 0.00 H new ATOM 0 HD3 PRO B 508 13.956 2.813 18.551 1.00 0.00 H new ATOM 2353 N LYS B 509 10.328 4.232 20.464 1.00 0.00 N ATOM 2354 CA LYS B 509 8.874 4.294 20.635 1.00 0.00 C ATOM 2355 C LYS B 509 8.273 2.895 20.732 1.00 0.00 C ATOM 2356 O LYS B 509 8.797 1.944 20.144 1.00 0.00 O ATOM 2357 CB LYS B 509 8.229 5.059 19.474 1.00 0.00 C ATOM 2358 CG LYS B 509 8.476 6.561 19.512 1.00 0.00 C ATOM 2359 CD LYS B 509 7.832 7.262 18.327 1.00 0.00 C ATOM 2360 CE LYS B 509 8.089 8.760 18.360 1.00 0.00 C ATOM 2361 NZ LYS B 509 7.467 9.456 17.200 1.00 0.00 N ATOM 0 H LYS B 509 10.628 3.741 19.621 1.00 0.00 H new ATOM 0 HA LYS B 509 8.670 4.823 21.566 1.00 0.00 H new ATOM 0 HB2 LYS B 509 8.611 4.662 18.533 1.00 0.00 H new ATOM 0 HB3 LYS B 509 7.154 4.877 19.484 1.00 0.00 H new ATOM 0 HG2 LYS B 509 8.078 6.973 20.440 1.00 0.00 H new ATOM 0 HG3 LYS B 509 9.549 6.754 19.511 1.00 0.00 H new ATOM 0 HD2 LYS B 509 8.223 6.845 17.399 1.00 0.00 H new ATOM 0 HD3 LYS B 509 6.758 7.076 18.332 1.00 0.00 H new ATOM 0 HE2 LYS B 509 7.694 9.176 19.287 1.00 0.00 H new ATOM 0 HE3 LYS B 509 9.163 8.944 18.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 509 7.665 10.475 17.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 509 7.862 9.078 16.316 1.00 0.00 H new ATOM 0 HZ3 LYS B 509 6.439 9.302 17.214 1.00 0.00 H new ATOM 2375 N ARG B 510 7.170 2.785 21.479 1.00 0.00 N ATOM 2376 CA ARG B 510 6.475 1.507 21.669 1.00 0.00 C ATOM 2377 C ARG B 510 5.181 1.458 20.851 1.00 0.00 C ATOM 2378 O ARG B 510 4.304 2.313 21.012 1.00 0.00 O ATOM 2379 CB ARG B 510 6.190 1.250 23.168 1.00 0.00 C ATOM 2380 CG ARG B 510 5.489 2.396 23.907 1.00 0.00 C ATOM 2381 CD ARG B 510 5.316 2.092 25.390 1.00 0.00 C ATOM 2382 NE ARG B 510 6.579 2.204 26.132 1.00 0.00 N ATOM 2383 CZ ARG B 510 6.677 2.270 27.468 1.00 0.00 C ATOM 2384 NH1 ARG B 510 5.593 2.238 28.241 1.00 0.00 N ATOM 2385 NH2 ARG B 510 7.873 2.370 28.032 1.00 0.00 N ATOM 0 H ARG B 510 6.737 3.570 21.965 1.00 0.00 H new ATOM 0 HA ARG B 510 7.130 0.713 21.309 1.00 0.00 H new ATOM 0 HB2 ARG B 510 5.576 0.354 23.256 1.00 0.00 H new ATOM 0 HB3 ARG B 510 7.135 1.040 23.670 1.00 0.00 H new ATOM 0 HG2 ARG B 510 6.068 3.312 23.789 1.00 0.00 H new ATOM 0 HG3 ARG B 510 4.513 2.575 23.457 1.00 0.00 H new ATOM 0 HD2 ARG B 510 4.584 2.778 25.817 1.00 0.00 H new ATOM 0 HD3 ARG B 510 4.916 1.085 25.508 1.00 0.00 H new ATOM 0 HE ARG B 510 7.444 2.234 25.592 1.00 0.00 H new ATOM 0 HH11 ARG B 510 4.668 2.162 27.819 1.00 0.00 H new ATOM 0 HH12 ARG B 510 5.688 2.289 29.255 1.00 0.00 H new ATOM 0 HH21 ARG B 510 8.711 2.396 27.450 1.00 0.00 H new ATOM 0 HH22 ARG B 510 7.955 2.421 29.047 1.00 0.00 H new ATOM 2399 N ARG B 511 5.079 0.451 19.975 1.00 0.00 N ATOM 2400 CA ARG B 511 3.901 0.273 19.119 1.00 0.00 C ATOM 2401 C ARG B 511 3.446 -1.184 19.110 1.00 0.00 C ATOM 2402 O ARG B 511 4.262 -2.098 19.265 1.00 0.00 O ATOM 2403 CB ARG B 511 4.201 0.733 17.682 1.00 0.00 C ATOM 2404 CG ARG B 511 4.334 2.250 17.520 1.00 0.00 C ATOM 2405 CD ARG B 511 2.983 2.937 17.325 1.00 0.00 C ATOM 2406 NE ARG B 511 2.178 2.947 18.554 1.00 0.00 N ATOM 2407 CZ ARG B 511 0.923 3.413 18.641 1.00 0.00 C ATOM 2408 NH1 ARG B 511 0.299 3.917 17.578 1.00 0.00 N ATOM 2409 NH2 ARG B 511 0.289 3.371 19.805 1.00 0.00 N ATOM 0 H ARG B 511 5.802 -0.256 19.841 1.00 0.00 H new ATOM 0 HA ARG B 511 3.098 0.886 19.528 1.00 0.00 H new ATOM 0 HB2 ARG B 511 5.125 0.261 17.348 1.00 0.00 H new ATOM 0 HB3 ARG B 511 3.406 0.378 17.026 1.00 0.00 H new ATOM 0 HG2 ARG B 511 4.825 2.665 18.400 1.00 0.00 H new ATOM 0 HG3 ARG B 511 4.975 2.466 16.665 1.00 0.00 H new ATOM 0 HD2 ARG B 511 3.144 3.962 16.991 1.00 0.00 H new ATOM 0 HD3 ARG B 511 2.430 2.428 16.536 1.00 0.00 H new ATOM 0 HE ARG B 511 2.604 2.573 19.402 1.00 0.00 H new ATOM 0 HH11 ARG B 511 0.775 3.954 16.677 1.00 0.00 H new ATOM 0 HH12 ARG B 511 -0.655 4.266 17.665 1.00 0.00 H new ATOM 0 HH21 ARG B 511 0.756 2.986 20.626 1.00 0.00 H new ATOM 0 HH22 ARG B 511 -0.665 3.723 19.879 1.00 0.00 H new ATOM 2423 N GLU B 512 2.137 -1.384 18.925 1.00 0.00 N ATOM 2424 CA GLU B 512 1.545 -2.726 18.889 1.00 0.00 C ATOM 2425 C GLU B 512 0.826 -2.971 17.560 1.00 0.00 C ATOM 2426 O GLU B 512 0.989 -4.031 16.948 1.00 0.00 O ATOM 2427 CB GLU B 512 0.570 -2.919 20.063 1.00 0.00 C ATOM 2428 CG GLU B 512 1.245 -3.044 21.426 1.00 0.00 C ATOM 2429 CD GLU B 512 1.811 -4.430 21.684 1.00 0.00 C ATOM 2430 OE1 GLU B 512 1.080 -5.276 22.240 1.00 0.00 O ATOM 2431 OE2 GLU B 512 2.985 -4.668 21.328 1.00 0.00 O ATOM 0 H GLU B 512 1.463 -0.629 18.797 1.00 0.00 H new ATOM 0 HA GLU B 512 2.353 -3.452 18.982 1.00 0.00 H new ATOM 0 HB2 GLU B 512 -0.121 -2.076 20.089 1.00 0.00 H new ATOM 0 HB3 GLU B 512 -0.026 -3.814 19.882 1.00 0.00 H new ATOM 0 HG2 GLU B 512 2.049 -2.311 21.496 1.00 0.00 H new ATOM 0 HG3 GLU B 512 0.523 -2.801 22.206 1.00 0.00 H new ATOM 2438 N ILE B 513 0.033 -1.983 17.125 1.00 0.00 N ATOM 2439 CA ILE B 513 -0.715 -2.070 15.866 1.00 0.00 C ATOM 2440 C ILE B 513 -0.491 -0.806 15.005 1.00 0.00 C ATOM 2441 O ILE B 513 -1.256 0.158 15.109 1.00 0.00 O ATOM 2442 CB ILE B 513 -2.243 -2.313 16.091 1.00 0.00 C ATOM 2443 CG1 ILE B 513 -2.819 -1.407 17.201 1.00 0.00 C ATOM 2444 CG2 ILE B 513 -2.492 -3.781 16.420 1.00 0.00 C ATOM 2445 CD1 ILE B 513 -4.195 -0.853 16.887 1.00 0.00 C ATOM 0 H ILE B 513 -0.107 -1.109 17.631 1.00 0.00 H new ATOM 0 HA ILE B 513 -0.327 -2.937 15.331 1.00 0.00 H new ATOM 0 HB ILE B 513 -2.759 -2.055 15.166 1.00 0.00 H new ATOM 0 HG12 ILE B 513 -2.870 -1.974 18.130 1.00 0.00 H new ATOM 0 HG13 ILE B 513 -2.134 -0.577 17.371 1.00 0.00 H new ATOM 0 HG21 ILE B 513 -3.559 -3.943 16.576 1.00 0.00 H new ATOM 0 HG22 ILE B 513 -2.147 -4.403 15.594 1.00 0.00 H new ATOM 0 HG23 ILE B 513 -1.948 -4.048 17.326 1.00 0.00 H new ATOM 0 HD11 ILE B 513 -4.532 -0.227 17.713 1.00 0.00 H new ATOM 0 HD12 ILE B 513 -4.148 -0.257 15.976 1.00 0.00 H new ATOM 0 HD13 ILE B 513 -4.895 -1.676 16.746 1.00 0.00 H new ATOM 2457 N PRO B 514 0.584 -0.776 14.154 1.00 0.00 N ATOM 2458 CA PRO B 514 0.894 0.384 13.290 1.00 0.00 C ATOM 2459 C PRO B 514 -0.023 0.499 12.066 1.00 0.00 C ATOM 2460 O PRO B 514 -0.743 -0.442 11.721 1.00 0.00 O ATOM 2461 CB PRO B 514 2.347 0.130 12.841 1.00 0.00 C ATOM 2462 CG PRO B 514 2.828 -1.040 13.633 1.00 0.00 C ATOM 2463 CD PRO B 514 1.604 -1.831 13.983 1.00 0.00 C ATOM 0 HA PRO B 514 0.750 1.319 13.831 1.00 0.00 H new ATOM 0 HB2 PRO B 514 2.394 -0.078 11.772 1.00 0.00 H new ATOM 0 HB3 PRO B 514 2.970 1.006 13.023 1.00 0.00 H new ATOM 0 HG2 PRO B 514 3.529 -1.641 13.055 1.00 0.00 H new ATOM 0 HG3 PRO B 514 3.353 -0.714 14.531 1.00 0.00 H new ATOM 0 HD2 PRO B 514 1.334 -2.533 13.194 1.00 0.00 H new ATOM 0 HD3 PRO B 514 1.743 -2.413 14.894 1.00 0.00 H new ATOM 2471 N LEU B 515 0.025 1.677 11.426 1.00 0.00 N ATOM 2472 CA LEU B 515 -0.770 1.991 10.230 1.00 0.00 C ATOM 2473 C LEU B 515 -0.117 1.458 8.935 1.00 0.00 C ATOM 2474 O LEU B 515 -0.557 1.794 7.831 1.00 0.00 O ATOM 2475 CB LEU B 515 -0.975 3.529 10.166 1.00 0.00 C ATOM 2476 CG LEU B 515 0.254 4.447 9.858 1.00 0.00 C ATOM 2477 CD1 LEU B 515 1.582 3.943 10.427 1.00 0.00 C ATOM 2478 CD2 LEU B 515 0.383 4.701 8.362 1.00 0.00 C ATOM 0 H LEU B 515 0.623 2.446 11.728 1.00 0.00 H new ATOM 0 HA LEU B 515 -1.735 1.490 10.306 1.00 0.00 H new ATOM 0 HB2 LEU B 515 -1.733 3.728 9.408 1.00 0.00 H new ATOM 0 HB3 LEU B 515 -1.390 3.845 11.123 1.00 0.00 H new ATOM 0 HG LEU B 515 0.045 5.384 10.375 1.00 0.00 H new ATOM 0 HD11 LEU B 515 2.378 4.640 10.166 1.00 0.00 H new ATOM 0 HD12 LEU B 515 1.508 3.867 11.512 1.00 0.00 H new ATOM 0 HD13 LEU B 515 1.808 2.962 10.010 1.00 0.00 H new ATOM 0 HD21 LEU B 515 1.245 5.342 8.175 1.00 0.00 H new ATOM 0 HD22 LEU B 515 0.516 3.752 7.842 1.00 0.00 H new ATOM 0 HD23 LEU B 515 -0.520 5.191 7.997 1.00 0.00 H new ATOM 2490 N LYS B 516 0.932 0.633 9.095 1.00 0.00 N ATOM 2491 CA LYS B 516 1.686 0.037 7.970 1.00 0.00 C ATOM 2492 C LYS B 516 0.799 -0.777 7.006 1.00 0.00 C ATOM 2493 O LYS B 516 0.793 -2.014 7.030 1.00 0.00 O ATOM 2494 CB LYS B 516 2.836 -0.827 8.509 1.00 0.00 C ATOM 2495 CG LYS B 516 4.016 -0.017 9.023 1.00 0.00 C ATOM 2496 CD LYS B 516 5.197 -0.908 9.367 1.00 0.00 C ATOM 2497 CE LYS B 516 6.372 -0.098 9.889 1.00 0.00 C ATOM 2498 NZ LYS B 516 7.527 -0.965 10.247 1.00 0.00 N ATOM 0 H LYS B 516 1.285 0.357 10.011 1.00 0.00 H new ATOM 0 HA LYS B 516 2.090 0.864 7.385 1.00 0.00 H new ATOM 0 HB2 LYS B 516 2.459 -1.457 9.315 1.00 0.00 H new ATOM 0 HB3 LYS B 516 3.180 -1.493 7.718 1.00 0.00 H new ATOM 0 HG2 LYS B 516 4.316 0.710 8.268 1.00 0.00 H new ATOM 0 HG3 LYS B 516 3.715 0.546 9.906 1.00 0.00 H new ATOM 0 HD2 LYS B 516 4.896 -1.639 10.117 1.00 0.00 H new ATOM 0 HD3 LYS B 516 5.503 -1.466 8.482 1.00 0.00 H new ATOM 0 HE2 LYS B 516 6.680 0.624 9.133 1.00 0.00 H new ATOM 0 HE3 LYS B 516 6.060 0.472 10.765 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 8.387 -0.385 10.320 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 7.343 -1.429 11.160 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 7.659 -1.689 9.512 1.00 0.00 H new ATOM 2512 N VAL B 517 0.034 -0.050 6.167 1.00 0.00 N ATOM 2513 CA VAL B 517 -0.867 -0.653 5.162 1.00 0.00 C ATOM 2514 C VAL B 517 -1.356 0.366 4.158 1.00 0.00 C ATOM 2515 O VAL B 517 -1.276 0.157 2.951 1.00 0.00 O ATOM 2516 CB VAL B 517 -2.105 -1.389 5.752 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -1.831 -2.874 5.809 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -2.515 -0.859 7.129 1.00 0.00 C ATOM 0 H VAL B 517 0.023 0.970 6.166 1.00 0.00 H new ATOM 0 HA VAL B 517 -0.241 -1.402 4.677 1.00 0.00 H new ATOM 0 HB VAL B 517 -2.948 -1.194 5.089 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -2.699 -3.388 6.222 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -1.633 -3.246 4.804 1.00 0.00 H new ATOM 0 HG13 VAL B 517 -0.963 -3.060 6.442 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -3.383 -1.411 7.488 1.00 0.00 H new ATOM 0 HG22 VAL B 517 -1.689 -0.987 7.829 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -2.765 0.199 7.052 1.00 0.00 H new ATOM 2528 N LEU B 518 -1.854 1.466 4.681 1.00 0.00 N ATOM 2529 CA LEU B 518 -2.382 2.576 3.903 1.00 0.00 C ATOM 2530 C LEU B 518 -1.342 3.240 2.987 1.00 0.00 C ATOM 2531 O LEU B 518 -1.639 4.226 2.302 1.00 0.00 O ATOM 2532 CB LEU B 518 -2.972 3.580 4.883 1.00 0.00 C ATOM 2533 CG LEU B 518 -4.309 3.188 5.559 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -5.185 2.323 4.653 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -4.047 2.478 6.879 1.00 0.00 C ATOM 0 H LEU B 518 -1.906 1.621 5.688 1.00 0.00 H new ATOM 0 HA LEU B 518 -3.143 2.192 3.223 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -2.236 3.764 5.666 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -3.120 4.523 4.356 1.00 0.00 H new ATOM 0 HG LEU B 518 -4.857 4.111 5.750 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -6.111 2.074 5.172 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -5.417 2.871 3.740 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -4.653 1.406 4.400 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -4.996 2.209 7.342 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -3.463 1.576 6.697 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -3.493 3.140 7.545 1.00 0.00 H new ATOM 2547 N VAL B 519 -0.136 2.678 2.981 1.00 0.00 N ATOM 2548 CA VAL B 519 0.960 3.159 2.149 1.00 0.00 C ATOM 2549 C VAL B 519 1.606 1.959 1.483 1.00 0.00 C ATOM 2550 O VAL B 519 1.925 2.001 0.292 1.00 0.00 O ATOM 2551 CB VAL B 519 2.010 3.979 2.958 1.00 0.00 C ATOM 2552 CG1 VAL B 519 3.084 4.575 2.048 1.00 0.00 C ATOM 2553 CG2 VAL B 519 1.345 5.099 3.755 1.00 0.00 C ATOM 0 H VAL B 519 0.108 1.872 3.557 1.00 0.00 H new ATOM 0 HA VAL B 519 0.560 3.843 1.401 1.00 0.00 H new ATOM 0 HB VAL B 519 2.484 3.282 3.649 1.00 0.00 H new ATOM 0 HG11 VAL B 519 3.797 5.139 2.648 1.00 0.00 H new ATOM 0 HG12 VAL B 519 3.604 3.772 1.525 1.00 0.00 H new ATOM 0 HG13 VAL B 519 2.617 5.239 1.320 1.00 0.00 H new ATOM 0 HG21 VAL B 519 2.104 5.652 4.308 1.00 0.00 H new ATOM 0 HG22 VAL B 519 0.829 5.774 3.073 1.00 0.00 H new ATOM 0 HG23 VAL B 519 0.626 4.671 4.454 1.00 0.00 H new ATOM 2563 N LYS B 520 1.784 0.887 2.263 1.00 0.00 N ATOM 2564 CA LYS B 520 2.348 -0.346 1.762 1.00 0.00 C ATOM 2565 C LYS B 520 1.447 -1.009 0.734 1.00 0.00 C ATOM 2566 O LYS B 520 1.925 -1.686 -0.182 1.00 0.00 O ATOM 2567 CB LYS B 520 2.604 -1.298 2.910 1.00 0.00 C ATOM 2568 CG LYS B 520 4.024 -1.836 2.907 1.00 0.00 C ATOM 2569 CD LYS B 520 4.450 -2.398 1.536 1.00 0.00 C ATOM 2570 CE LYS B 520 5.962 -2.497 1.420 1.00 0.00 C ATOM 2571 NZ LYS B 520 6.384 -3.049 0.102 1.00 0.00 N ATOM 0 H LYS B 520 1.539 0.861 3.253 1.00 0.00 H new ATOM 0 HA LYS B 520 3.288 -0.101 1.267 1.00 0.00 H new ATOM 0 HB2 LYS B 520 2.414 -0.786 3.853 1.00 0.00 H new ATOM 0 HB3 LYS B 520 1.902 -2.130 2.852 1.00 0.00 H new ATOM 0 HG2 LYS B 520 4.709 -1.039 3.196 1.00 0.00 H new ATOM 0 HG3 LYS B 520 4.111 -2.621 3.659 1.00 0.00 H new ATOM 0 HD2 LYS B 520 4.008 -3.384 1.392 1.00 0.00 H new ATOM 0 HD3 LYS B 520 4.064 -1.757 0.743 1.00 0.00 H new ATOM 0 HE2 LYS B 520 6.402 -1.509 1.557 1.00 0.00 H new ATOM 0 HE3 LYS B 520 6.346 -3.131 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 7.422 -3.100 0.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 5.986 -4.002 -0.019 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 6.039 -2.431 -0.660 1.00 0.00 H new ATOM 2585 N ALA B 521 0.141 -0.803 0.902 1.00 0.00 N ATOM 2586 CA ALA B 521 -0.854 -1.325 -0.019 1.00 0.00 C ATOM 2587 C ALA B 521 -1.060 -0.315 -1.149 1.00 0.00 C ATOM 2588 O ALA B 521 -2.063 -0.318 -1.870 1.00 0.00 O ATOM 2589 CB ALA B 521 -2.138 -1.611 0.727 1.00 0.00 C ATOM 0 H ALA B 521 -0.251 -0.271 1.679 1.00 0.00 H new ATOM 0 HA ALA B 521 -0.516 -2.264 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -2.882 -2.002 0.033 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -1.948 -2.346 1.509 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -2.510 -0.691 1.177 1.00 0.00 H new ATOM 2595 N VAL B 522 -0.039 0.524 -1.284 1.00 0.00 N ATOM 2596 CA VAL B 522 0.021 1.589 -2.259 1.00 0.00 C ATOM 2597 C VAL B 522 1.396 1.598 -2.936 1.00 0.00 C ATOM 2598 O VAL B 522 1.529 2.122 -4.046 1.00 0.00 O ATOM 2599 CB VAL B 522 -0.279 3.004 -1.672 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -0.899 3.898 -2.739 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -1.203 2.945 -0.459 1.00 0.00 C ATOM 0 H VAL B 522 0.793 0.474 -0.696 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.767 1.381 -2.983 1.00 0.00 H new ATOM 0 HB VAL B 522 0.674 3.420 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -1.103 4.882 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL B 522 -0.208 3.999 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -1.830 3.454 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -1.381 3.954 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -2.152 2.491 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL B 522 -0.737 2.347 0.324 1.00 0.00 H new ATOM 2611 N LEU B 523 2.428 1.018 -2.267 1.00 0.00 N ATOM 2612 CA LEU B 523 3.766 0.950 -2.848 1.00 0.00 C ATOM 2613 C LEU B 523 3.869 -0.301 -3.707 1.00 0.00 C ATOM 2614 O LEU B 523 4.773 -0.431 -4.533 1.00 0.00 O ATOM 2615 CB LEU B 523 4.851 0.920 -1.769 1.00 0.00 C ATOM 2616 CG LEU B 523 4.732 2.022 -0.721 1.00 0.00 C ATOM 2617 CD1 LEU B 523 5.283 1.557 0.621 1.00 0.00 C ATOM 2618 CD2 LEU B 523 5.444 3.291 -1.166 1.00 0.00 C ATOM 0 H LEU B 523 2.346 0.601 -1.340 1.00 0.00 H new ATOM 0 HA LEU B 523 3.923 1.843 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU B 523 4.819 -0.047 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU B 523 5.826 0.997 -2.250 1.00 0.00 H new ATOM 0 HG LEU B 523 3.672 2.248 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU B 523 5.187 2.360 1.352 1.00 0.00 H new ATOM 0 HD12 LEU B 523 4.723 0.687 0.963 1.00 0.00 H new ATOM 0 HD13 LEU B 523 6.334 1.291 0.510 1.00 0.00 H new ATOM 0 HD21 LEU B 523 5.340 4.056 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU B 523 6.501 3.078 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU B 523 5.002 3.649 -2.096 1.00 0.00 H new ATOM 2630 N PHE B 524 2.905 -1.215 -3.493 1.00 0.00 N ATOM 2631 CA PHE B 524 2.836 -2.479 -4.215 1.00 0.00 C ATOM 2632 C PHE B 524 2.286 -2.287 -5.641 1.00 0.00 C ATOM 2633 O PHE B 524 2.821 -2.851 -6.599 1.00 0.00 O ATOM 2634 CB PHE B 524 1.993 -3.485 -3.395 1.00 0.00 C ATOM 2635 CG PHE B 524 0.895 -4.183 -4.154 1.00 0.00 C ATOM 2636 CD1 PHE B 524 1.151 -5.348 -4.856 1.00 0.00 C ATOM 2637 CD2 PHE B 524 -0.387 -3.663 -4.166 1.00 0.00 C ATOM 2638 CE1 PHE B 524 0.146 -5.984 -5.558 1.00 0.00 C ATOM 2639 CE2 PHE B 524 -1.397 -4.294 -4.866 1.00 0.00 C ATOM 2640 CZ PHE B 524 -1.130 -5.456 -5.563 1.00 0.00 C ATOM 0 H PHE B 524 2.156 -1.089 -2.812 1.00 0.00 H new ATOM 0 HA PHE B 524 3.842 -2.882 -4.332 1.00 0.00 H new ATOM 0 HB2 PHE B 524 2.662 -4.240 -2.982 1.00 0.00 H new ATOM 0 HB3 PHE B 524 1.548 -2.957 -2.552 1.00 0.00 H new ATOM 0 HD1 PHE B 524 2.148 -5.764 -4.855 1.00 0.00 H new ATOM 0 HD2 PHE B 524 -0.600 -2.754 -3.623 1.00 0.00 H new ATOM 0 HE1 PHE B 524 0.358 -6.893 -6.102 1.00 0.00 H new ATOM 0 HE2 PHE B 524 -2.394 -3.879 -4.868 1.00 0.00 H new ATOM 0 HZ PHE B 524 -1.918 -5.951 -6.111 1.00 0.00 H new ATOM 2650 N ALA B 525 1.218 -1.487 -5.756 1.00 0.00 N ATOM 2651 CA ALA B 525 0.571 -1.213 -7.045 1.00 0.00 C ATOM 2652 C ALA B 525 1.249 -0.065 -7.806 1.00 0.00 C ATOM 2653 O ALA B 525 0.908 0.204 -8.963 1.00 0.00 O ATOM 2654 CB ALA B 525 -0.904 -0.908 -6.825 1.00 0.00 C ATOM 0 H ALA B 525 0.781 -1.015 -4.964 1.00 0.00 H new ATOM 0 HA ALA B 525 0.673 -2.105 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -1.381 -0.705 -7.784 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -1.386 -1.765 -6.354 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -1.003 -0.036 -6.179 1.00 0.00 H new ATOM 2660 N CYS B 526 2.216 0.598 -7.152 1.00 0.00 N ATOM 2661 CA CYS B 526 2.950 1.717 -7.759 1.00 0.00 C ATOM 2662 C CYS B 526 4.135 1.236 -8.621 1.00 0.00 C ATOM 2663 O CYS B 526 5.008 2.033 -8.989 1.00 0.00 O ATOM 2664 CB CYS B 526 3.450 2.656 -6.657 1.00 0.00 C ATOM 2665 SG CYS B 526 4.102 4.229 -7.267 1.00 0.00 S ATOM 0 H CYS B 526 2.508 0.377 -6.200 1.00 0.00 H new ATOM 0 HA CYS B 526 2.264 2.247 -8.420 1.00 0.00 H new ATOM 0 HB2 CYS B 526 2.631 2.858 -5.967 1.00 0.00 H new ATOM 0 HB3 CYS B 526 4.229 2.148 -6.088 1.00 0.00 H new ATOM 0 HG CYS B 526 4.788 4.023 -8.352 1.00 0.00 H new ATOM 2671 N MET B 527 4.145 -0.062 -8.961 1.00 0.00 N ATOM 2672 CA MET B 527 5.227 -0.646 -9.764 1.00 0.00 C ATOM 2673 C MET B 527 4.706 -1.540 -10.899 1.00 0.00 C ATOM 2674 O MET B 527 5.485 -1.950 -11.766 1.00 0.00 O ATOM 2675 CB MET B 527 6.176 -1.444 -8.865 1.00 0.00 C ATOM 2676 CG MET B 527 7.073 -0.570 -7.997 1.00 0.00 C ATOM 2677 SD MET B 527 8.179 -1.525 -6.938 1.00 0.00 S ATOM 2678 CE MET B 527 7.074 -2.021 -5.615 1.00 0.00 C ATOM 0 H MET B 527 3.417 -0.725 -8.693 1.00 0.00 H new ATOM 0 HA MET B 527 5.763 0.182 -10.228 1.00 0.00 H new ATOM 0 HB2 MET B 527 5.589 -2.099 -8.222 1.00 0.00 H new ATOM 0 HB3 MET B 527 6.800 -2.085 -9.488 1.00 0.00 H new ATOM 0 HG2 MET B 527 7.666 0.082 -8.638 1.00 0.00 H new ATOM 0 HG3 MET B 527 6.451 0.075 -7.376 1.00 0.00 H new ATOM 0 HE1 MET B 527 7.614 -2.648 -4.905 1.00 0.00 H new ATOM 0 HE2 MET B 527 6.698 -1.135 -5.104 1.00 0.00 H new ATOM 0 HE3 MET B 527 6.237 -2.582 -6.031 1.00 0.00 H new ATOM 2688 N LEU B 528 3.393 -1.841 -10.891 1.00 0.00 N ATOM 2689 CA LEU B 528 2.753 -2.686 -11.919 1.00 0.00 C ATOM 2690 C LEU B 528 3.005 -2.195 -13.357 1.00 0.00 C ATOM 2691 O LEU B 528 3.040 -3.002 -14.289 1.00 0.00 O ATOM 2692 CB LEU B 528 1.245 -2.767 -11.664 1.00 0.00 C ATOM 2693 CG LEU B 528 0.855 -3.339 -10.301 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -0.527 -2.857 -9.890 1.00 0.00 C ATOM 2695 CD2 LEU B 528 0.914 -4.860 -10.307 1.00 0.00 C ATOM 0 H LEU B 528 2.748 -1.507 -10.175 1.00 0.00 H new ATOM 0 HA LEU B 528 3.209 -3.672 -11.836 1.00 0.00 H new ATOM 0 HB2 LEU B 528 0.821 -1.767 -11.758 1.00 0.00 H new ATOM 0 HB3 LEU B 528 0.791 -3.380 -12.443 1.00 0.00 H new ATOM 0 HG LEU B 528 1.576 -2.978 -9.568 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -0.784 -3.276 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -0.529 -1.769 -9.828 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -1.260 -3.180 -10.629 1.00 0.00 H new ATOM 0 HD21 LEU B 528 0.632 -5.239 -9.325 1.00 0.00 H new ATOM 0 HD22 LEU B 528 0.225 -5.248 -11.057 1.00 0.00 H new ATOM 0 HD23 LEU B 528 1.928 -5.184 -10.543 1.00 0.00 H new ATOM 2707 N MET B 529 3.182 -0.876 -13.519 1.00 0.00 N ATOM 2708 CA MET B 529 3.426 -0.278 -14.833 1.00 0.00 C ATOM 2709 C MET B 529 4.657 0.635 -14.800 1.00 0.00 C ATOM 2710 O MET B 529 4.550 1.868 -14.855 1.00 0.00 O ATOM 2711 CB MET B 529 2.183 0.487 -15.316 1.00 0.00 C ATOM 2712 CG MET B 529 1.078 -0.414 -15.844 1.00 0.00 C ATOM 2713 SD MET B 529 1.470 -1.128 -17.454 1.00 0.00 S ATOM 2714 CE MET B 529 1.687 -2.854 -17.025 1.00 0.00 C ATOM 0 H MET B 529 3.160 -0.204 -12.752 1.00 0.00 H new ATOM 0 HA MET B 529 3.628 -1.081 -15.542 1.00 0.00 H new ATOM 0 HB2 MET B 529 1.791 1.083 -14.492 1.00 0.00 H new ATOM 0 HB3 MET B 529 2.478 1.183 -16.101 1.00 0.00 H new ATOM 0 HG2 MET B 529 0.897 -1.217 -15.129 1.00 0.00 H new ATOM 0 HG3 MET B 529 0.154 0.159 -15.921 1.00 0.00 H new ATOM 0 HE1 MET B 529 1.357 -3.479 -17.854 1.00 0.00 H new ATOM 0 HE2 MET B 529 2.740 -3.048 -16.820 1.00 0.00 H new ATOM 0 HE3 MET B 529 1.096 -3.086 -16.139 1.00 0.00 H new ATOM 2724 N ARG B 530 5.827 0.006 -14.688 1.00 0.00 N ATOM 2725 CA ARG B 530 7.104 0.721 -14.655 1.00 0.00 C ATOM 2726 C ARG B 530 7.901 0.474 -15.944 1.00 0.00 C ATOM 2727 O ARG B 530 9.092 0.137 -15.911 1.00 0.00 O ATOM 2728 CB ARG B 530 7.911 0.298 -13.415 1.00 0.00 C ATOM 2729 CG ARG B 530 7.521 1.037 -12.136 1.00 0.00 C ATOM 2730 CD ARG B 530 8.227 2.384 -12.008 1.00 0.00 C ATOM 2731 NE ARG B 530 9.656 2.239 -11.701 1.00 0.00 N ATOM 2732 CZ ARG B 530 10.609 3.104 -12.074 1.00 0.00 C ATOM 2733 NH1 ARG B 530 10.311 4.196 -12.776 1.00 0.00 N ATOM 2734 NH2 ARG B 530 11.871 2.871 -11.740 1.00 0.00 N ATOM 0 H ARG B 530 5.917 -1.008 -14.618 1.00 0.00 H new ATOM 0 HA ARG B 530 6.906 1.791 -14.590 1.00 0.00 H new ATOM 0 HB2 ARG B 530 7.781 -0.773 -13.258 1.00 0.00 H new ATOM 0 HB3 ARG B 530 8.970 0.465 -13.610 1.00 0.00 H new ATOM 0 HG2 ARG B 530 6.442 1.192 -12.123 1.00 0.00 H new ATOM 0 HG3 ARG B 530 7.765 0.418 -11.273 1.00 0.00 H new ATOM 0 HD2 ARG B 530 8.112 2.941 -12.938 1.00 0.00 H new ATOM 0 HD3 ARG B 530 7.747 2.970 -11.224 1.00 0.00 H new ATOM 0 HE ARG B 530 9.944 1.420 -11.165 1.00 0.00 H new ATOM 0 HH11 ARG B 530 9.344 4.385 -13.039 1.00 0.00 H new ATOM 0 HH12 ARG B 530 11.050 4.843 -13.051 1.00 0.00 H new ATOM 0 HH21 ARG B 530 12.111 2.038 -11.203 1.00 0.00 H new ATOM 0 HH22 ARG B 530 12.602 3.525 -12.020 1.00 0.00 H new ATOM 2748 N LYS B 531 7.221 0.665 -17.096 1.00 0.00 N ATOM 2749 CA LYS B 531 7.807 0.479 -18.444 1.00 0.00 C ATOM 2750 C LYS B 531 8.248 -0.971 -18.686 1.00 0.00 C ATOM 2751 O LYS B 531 9.194 -1.431 -18.009 1.00 0.00 O ATOM 2752 CB LYS B 531 8.986 1.449 -18.693 1.00 0.00 C ATOM 2753 CG LYS B 531 8.570 2.898 -18.960 1.00 0.00 C ATOM 2754 CD LYS B 531 8.215 3.661 -17.680 1.00 0.00 C ATOM 2755 CE LYS B 531 6.708 3.775 -17.496 1.00 0.00 C ATOM 2756 NZ LYS B 531 6.355 4.487 -16.237 1.00 0.00 N ATOM 2757 OXT LYS B 531 7.638 -1.633 -19.552 1.00 0.00 O ATOM 0 H LYS B 531 6.243 0.955 -17.118 1.00 0.00 H new ATOM 0 HA LYS B 531 7.017 0.711 -19.158 1.00 0.00 H new ATOM 0 HB2 LYS B 531 9.647 1.428 -17.826 1.00 0.00 H new ATOM 0 HB3 LYS B 531 9.564 1.088 -19.544 1.00 0.00 H new ATOM 0 HG2 LYS B 531 9.381 3.415 -19.472 1.00 0.00 H new ATOM 0 HG3 LYS B 531 7.712 2.907 -19.632 1.00 0.00 H new ATOM 0 HD2 LYS B 531 8.650 3.152 -16.820 1.00 0.00 H new ATOM 0 HD3 LYS B 531 8.654 4.658 -17.716 1.00 0.00 H new ATOM 0 HE2 LYS B 531 6.278 4.305 -18.346 1.00 0.00 H new ATOM 0 HE3 LYS B 531 6.267 2.778 -17.485 1.00 0.00 H new ATOM 0 HZ1 LYS B 531 5.320 4.544 -16.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 531 6.744 3.968 -15.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 531 6.754 5.447 -16.258 1.00 0.00 H new TER 2771 LYS B 531