USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 864 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 63 HIS : no HE2:sc= -14! C(o=-14!,f=-23!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 137:sc= -0.204 (180deg=0) USER MOD Set 2.1: A 22 THR OG1 : rot -47:sc= -2.22! USER MOD Set 2.2: A 41 LYS NZ :NH3+ -159:sc= -2.21! (180deg=-3.5!) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -39.6! C(o=-76!,f=-62!) USER MOD Set 3.2: A 21 SER OG : rot 115:sc= -7.03! USER MOD Set 3.3: A 38 HIS : no HE2:sc= -29.1! C(o=-76!,f=-64!) USER MOD Set 4.1: A 4 GLN : amide:sc= -1.47! K(o=-1.4!,f=-0.039) USER MOD Set 4.2: A 6 TYR OH : rot 43:sc= 0.0598 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.176 USER MOD Single : A 11 SER OG : rot 50:sc= 0.0619! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 160:sc= -0.362 USER MOD Single : A 26 MET CE :methyl -138:sc= -12.1! (180deg=-17.3!) USER MOD Single : A 27 LYS NZ :NH3+ -120:sc= -0.0707 (180deg=-1.15) USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= -0.488 (180deg=-2.35!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -42.7! C(o=-43!,f=-42!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 44 ASN : amide:sc= -26.8! C(o=-27!,f=-22!) USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= -4.16! (180deg=-4.34!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 159:sc= -0.456! USER MOD Single : A 67 GLN : amide:sc= -3.87 K(o=-3.9,f=-1.3) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= -0.305 (180deg=-0.968!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -43.8! C(o=-44!,f=-51!) USER MOD Single : A 76 THR OG1 : rot -150:sc= 0.107 USER MOD Single : A 81 ASN : amide:sc= -0.178 K(o=-0.18,f=-3.2!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.029) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 92:sc= -3.53! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.4) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0194) USER MOD Single : A 117 HIS : no HD1:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0993 X(o=-0.099,f=-0.099) USER MOD Single : A 119 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.38) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 26 N GLN A 4 -2.136 -2.144 9.026 1.00 1.00 N ATOM 27 CA GLN A 4 -1.022 -2.379 8.063 1.00 1.00 C ATOM 28 C GLN A 4 -1.392 -1.836 6.681 1.00 1.00 C ATOM 29 O GLN A 4 -2.057 -2.492 5.903 1.00 1.00 O ATOM 30 CB GLN A 4 -0.856 -3.899 8.014 1.00 1.00 C ATOM 31 CG GLN A 4 0.448 -4.293 8.711 1.00 1.00 C ATOM 32 CD GLN A 4 0.517 -5.816 8.841 1.00 1.00 C ATOM 33 OE1 GLN A 4 1.591 -6.386 8.872 1.00 1.00 O ATOM 34 NE2 GLN A 4 -0.589 -6.504 8.918 1.00 1.00 N ATOM 0 HA GLN A 4 -0.103 -1.877 8.365 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -1.702 -4.384 8.501 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -0.845 -4.241 6.979 1.00 1.00 H new ATOM 0 HG2 GLN A 4 1.302 -3.927 8.141 1.00 1.00 H new ATOM 0 HG3 GLN A 4 0.500 -3.830 9.697 1.00 1.00 H new ATOM 0 HE21 GLN A 4 -1.490 -6.026 8.892 1.00 1.00 H new ATOM 0 HE22 GLN A 4 -0.553 -7.520 9.004 1.00 1.00 H new ATOM 43 N ILE A 5 -0.970 -0.642 6.369 1.00 1.00 N ATOM 44 CA ILE A 5 -1.301 -0.058 5.038 1.00 1.00 C ATOM 45 C ILE A 5 -0.041 0.039 4.171 1.00 1.00 C ATOM 46 O ILE A 5 0.699 0.999 4.239 1.00 1.00 O ATOM 47 CB ILE A 5 -1.848 1.336 5.344 1.00 1.00 C ATOM 48 CG1 ILE A 5 -3.367 1.258 5.518 1.00 1.00 C ATOM 49 CG2 ILE A 5 -1.517 2.282 4.189 1.00 1.00 C ATOM 50 CD1 ILE A 5 -3.703 1.073 6.999 1.00 1.00 C ATOM 0 H ILE A 5 -0.410 -0.045 6.978 1.00 1.00 H new ATOM 0 HA ILE A 5 -2.018 -0.667 4.487 1.00 1.00 H new ATOM 0 HB ILE A 5 -1.393 1.711 6.261 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -3.834 2.167 5.139 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -3.768 0.428 4.937 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -1.908 3.275 4.409 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -0.436 2.337 4.062 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -1.971 1.908 3.271 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -4.785 1.018 7.123 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -3.248 0.152 7.363 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -3.316 1.918 7.568 1.00 1.00 H new ATOM 62 N TYR A 6 0.205 -0.949 3.355 1.00 1.00 N ATOM 63 CA TYR A 6 1.414 -0.912 2.483 1.00 1.00 C ATOM 64 C TYR A 6 1.077 -0.251 1.144 1.00 1.00 C ATOM 65 O TYR A 6 -0.071 -0.150 0.762 1.00 1.00 O ATOM 66 CB TYR A 6 1.800 -2.377 2.276 1.00 1.00 C ATOM 67 CG TYR A 6 2.291 -2.956 3.582 1.00 1.00 C ATOM 68 CD1 TYR A 6 1.422 -3.050 4.676 1.00 1.00 C ATOM 69 CD2 TYR A 6 3.614 -3.398 3.698 1.00 1.00 C ATOM 70 CE1 TYR A 6 1.877 -3.587 5.886 1.00 1.00 C ATOM 71 CE2 TYR A 6 4.068 -3.935 4.909 1.00 1.00 C ATOM 72 CZ TYR A 6 3.200 -4.029 6.003 1.00 1.00 C ATOM 73 OH TYR A 6 3.648 -4.558 7.196 1.00 1.00 O ATOM 0 H TYR A 6 -0.378 -1.780 3.254 1.00 1.00 H new ATOM 0 HA TYR A 6 2.227 -0.337 2.927 1.00 1.00 H new ATOM 0 HB2 TYR A 6 0.942 -2.943 1.914 1.00 1.00 H new ATOM 0 HB3 TYR A 6 2.577 -2.456 1.516 1.00 1.00 H new ATOM 0 HD1 TYR A 6 0.401 -2.708 4.586 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.284 -3.325 2.854 1.00 1.00 H new ATOM 0 HE1 TYR A 6 1.207 -3.660 6.730 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.089 -4.277 4.999 1.00 1.00 H new ATOM 0 HH TYR A 6 2.970 -5.165 7.559 1.00 1.00 H new ATOM 83 N SER A 7 2.069 0.206 0.429 1.00 1.00 N ATOM 84 CA SER A 7 1.802 0.864 -0.882 1.00 1.00 C ATOM 85 C SER A 7 2.172 -0.074 -2.034 1.00 1.00 C ATOM 86 O SER A 7 3.194 -0.730 -2.012 1.00 1.00 O ATOM 87 CB SER A 7 2.697 2.102 -0.892 1.00 1.00 C ATOM 88 OG SER A 7 2.071 3.127 -1.653 1.00 1.00 O ATOM 0 H SER A 7 3.052 0.152 0.696 1.00 1.00 H new ATOM 0 HA SER A 7 0.750 1.119 -1.008 1.00 1.00 H new ATOM 0 HB2 SER A 7 2.873 2.446 0.127 1.00 1.00 H new ATOM 0 HB3 SER A 7 3.670 1.858 -1.319 1.00 1.00 H new ATOM 0 HG SER A 7 2.642 3.924 -1.660 1.00 1.00 H new ATOM 94 N ALA A 8 1.346 -0.140 -3.044 1.00 1.00 N ATOM 95 CA ALA A 8 1.647 -1.031 -4.200 1.00 1.00 C ATOM 96 C ALA A 8 1.134 -0.400 -5.497 1.00 1.00 C ATOM 97 O ALA A 8 0.210 0.390 -5.488 1.00 1.00 O ATOM 98 CB ALA A 8 0.901 -2.333 -3.903 1.00 1.00 C ATOM 0 H ALA A 8 0.475 0.386 -3.118 1.00 1.00 H new ATOM 0 HA ALA A 8 2.717 -1.197 -4.328 1.00 1.00 H new ATOM 0 HB1 ALA A 8 1.073 -3.044 -4.711 1.00 1.00 H new ATOM 0 HB2 ALA A 8 1.264 -2.755 -2.966 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -0.167 -2.130 -3.820 1.00 1.00 H new ATOM 104 N ARG A 9 1.723 -0.737 -6.610 1.00 1.00 N ATOM 105 CA ARG A 9 1.263 -0.147 -7.900 1.00 1.00 C ATOM 106 C ARG A 9 1.492 -1.130 -9.052 1.00 1.00 C ATOM 107 O ARG A 9 2.577 -1.644 -9.235 1.00 1.00 O ATOM 108 CB ARG A 9 2.119 1.105 -8.090 1.00 1.00 C ATOM 109 CG ARG A 9 1.833 1.717 -9.463 1.00 1.00 C ATOM 110 CD ARG A 9 2.550 0.906 -10.544 1.00 1.00 C ATOM 111 NE ARG A 9 3.900 0.625 -9.982 1.00 1.00 N ATOM 112 CZ ARG A 9 4.668 -0.268 -10.543 1.00 1.00 C ATOM 113 NH1 ARG A 9 4.253 -0.915 -11.598 1.00 1.00 N ATOM 114 NH2 ARG A 9 5.851 -0.514 -10.051 1.00 1.00 N ATOM 0 H ARG A 9 2.501 -1.393 -6.684 1.00 1.00 H new ATOM 0 HA ARG A 9 0.197 0.082 -7.888 1.00 1.00 H new ATOM 0 HB2 ARG A 9 1.902 1.829 -7.305 1.00 1.00 H new ATOM 0 HB3 ARG A 9 3.176 0.852 -8.006 1.00 1.00 H new ATOM 0 HG2 ARG A 9 0.760 1.726 -9.652 1.00 1.00 H new ATOM 0 HG3 ARG A 9 2.170 2.753 -9.488 1.00 1.00 H new ATOM 0 HD2 ARG A 9 2.014 -0.017 -10.765 1.00 1.00 H new ATOM 0 HD3 ARG A 9 2.619 1.466 -11.477 1.00 1.00 H new ATOM 0 HE ARG A 9 4.224 1.131 -9.158 1.00 1.00 H new ATOM 0 HH11 ARG A 9 3.329 -0.722 -11.984 1.00 1.00 H new ATOM 0 HH12 ARG A 9 4.853 -1.613 -12.037 1.00 1.00 H new ATOM 0 HH21 ARG A 9 6.176 -0.008 -9.227 1.00 1.00 H new ATOM 0 HH22 ARG A 9 6.451 -1.212 -10.490 1.00 1.00 H new ATOM 127 N TYR A 10 0.478 -1.390 -9.830 1.00 1.00 N ATOM 128 CA TYR A 10 0.636 -2.335 -10.971 1.00 1.00 C ATOM 129 C TYR A 10 -0.219 -1.881 -12.158 1.00 1.00 C ATOM 130 O TYR A 10 -1.017 -0.972 -12.050 1.00 1.00 O ATOM 131 CB TYR A 10 0.145 -3.682 -10.439 1.00 1.00 C ATOM 132 CG TYR A 10 0.798 -3.968 -9.108 1.00 1.00 C ATOM 133 CD1 TYR A 10 0.282 -3.396 -7.938 1.00 1.00 C ATOM 134 CD2 TYR A 10 1.918 -4.804 -9.042 1.00 1.00 C ATOM 135 CE1 TYR A 10 0.887 -3.662 -6.704 1.00 1.00 C ATOM 136 CE2 TYR A 10 2.524 -5.070 -7.808 1.00 1.00 C ATOM 137 CZ TYR A 10 2.008 -4.498 -6.639 1.00 1.00 C ATOM 138 OH TYR A 10 2.604 -4.760 -5.421 1.00 1.00 O ATOM 0 H TYR A 10 -0.454 -0.989 -9.725 1.00 1.00 H new ATOM 0 HA TYR A 10 1.666 -2.387 -11.325 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -0.939 -3.667 -10.328 1.00 1.00 H new ATOM 0 HB3 TYR A 10 0.382 -4.474 -11.150 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -0.582 -2.750 -7.988 1.00 1.00 H new ATOM 0 HD2 TYR A 10 2.316 -5.245 -9.944 1.00 1.00 H new ATOM 0 HE1 TYR A 10 0.489 -3.222 -5.802 1.00 1.00 H new ATOM 0 HE2 TYR A 10 3.388 -5.716 -7.758 1.00 1.00 H new ATOM 0 HH TYR A 10 3.368 -5.359 -5.553 1.00 1.00 H new ATOM 148 N SER A 11 -0.063 -2.516 -13.287 1.00 1.00 N ATOM 149 CA SER A 11 -0.870 -2.133 -14.481 1.00 1.00 C ATOM 150 C SER A 11 -0.672 -0.653 -14.826 1.00 1.00 C ATOM 151 O SER A 11 -1.603 0.037 -15.191 1.00 1.00 O ATOM 152 CB SER A 11 -2.319 -2.398 -14.078 1.00 1.00 C ATOM 153 OG SER A 11 -3.063 -1.192 -14.180 1.00 1.00 O ATOM 0 H SER A 11 0.590 -3.285 -13.435 1.00 1.00 H new ATOM 0 HA SER A 11 -0.576 -2.697 -15.366 1.00 1.00 H new ATOM 0 HB2 SER A 11 -2.754 -3.162 -14.722 1.00 1.00 H new ATOM 0 HB3 SER A 11 -2.361 -2.779 -13.058 1.00 1.00 H new ATOM 0 HG SER A 11 -2.902 -0.781 -15.055 1.00 1.00 H new ATOM 159 N GLY A 12 0.533 -0.160 -14.730 1.00 1.00 N ATOM 160 CA GLY A 12 0.784 1.271 -15.072 1.00 1.00 C ATOM 161 C GLY A 12 0.194 2.186 -13.995 1.00 1.00 C ATOM 162 O GLY A 12 0.412 3.381 -14.000 1.00 1.00 O ATOM 0 H GLY A 12 1.354 -0.685 -14.430 1.00 1.00 H new ATOM 0 HA2 GLY A 12 1.856 1.448 -15.162 1.00 1.00 H new ATOM 0 HA3 GLY A 12 0.340 1.504 -16.040 1.00 1.00 H new ATOM 166 N VAL A 13 -0.552 1.642 -13.074 1.00 1.00 N ATOM 167 CA VAL A 13 -1.151 2.497 -12.007 1.00 1.00 C ATOM 168 C VAL A 13 -0.850 1.912 -10.626 1.00 1.00 C ATOM 169 O VAL A 13 -0.930 0.718 -10.418 1.00 1.00 O ATOM 170 CB VAL A 13 -2.654 2.476 -12.282 1.00 1.00 C ATOM 171 CG1 VAL A 13 -3.397 3.138 -11.121 1.00 1.00 C ATOM 172 CG2 VAL A 13 -2.945 3.242 -13.575 1.00 1.00 C ATOM 0 H VAL A 13 -0.773 0.648 -13.012 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.748 3.510 -12.015 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.989 1.444 -12.385 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -4.469 3.122 -11.319 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -3.190 2.594 -10.199 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -3.063 4.170 -11.016 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -4.017 3.228 -13.773 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.609 4.274 -13.470 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -2.417 2.771 -14.404 1.00 1.00 H new ATOM 182 N ASP A 14 -0.497 2.741 -9.679 1.00 1.00 N ATOM 183 CA ASP A 14 -0.183 2.224 -8.317 1.00 1.00 C ATOM 184 C ASP A 14 -1.473 1.972 -7.532 1.00 1.00 C ATOM 185 O ASP A 14 -2.530 2.461 -7.877 1.00 1.00 O ATOM 186 CB ASP A 14 0.637 3.333 -7.655 1.00 1.00 C ATOM 187 CG ASP A 14 -0.306 4.390 -7.077 1.00 1.00 C ATOM 188 OD1 ASP A 14 -1.216 4.014 -6.357 1.00 1.00 O ATOM 189 OD2 ASP A 14 -0.102 5.558 -7.365 1.00 1.00 O ATOM 0 H ASP A 14 -0.413 3.751 -9.791 1.00 1.00 H new ATOM 0 HA ASP A 14 0.357 1.278 -8.350 1.00 1.00 H new ATOM 0 HB2 ASP A 14 1.261 2.916 -6.865 1.00 1.00 H new ATOM 0 HB3 ASP A 14 1.308 3.788 -8.384 1.00 1.00 H new ATOM 194 N VAL A 15 -1.391 1.207 -6.478 1.00 1.00 N ATOM 195 CA VAL A 15 -2.607 0.913 -5.667 1.00 1.00 C ATOM 196 C VAL A 15 -2.219 0.689 -4.203 1.00 1.00 C ATOM 197 O VAL A 15 -1.058 0.727 -3.848 1.00 1.00 O ATOM 198 CB VAL A 15 -3.189 -0.366 -6.271 1.00 1.00 C ATOM 199 CG1 VAL A 15 -3.949 -0.026 -7.554 1.00 1.00 C ATOM 200 CG2 VAL A 15 -2.052 -1.337 -6.595 1.00 1.00 C ATOM 0 H VAL A 15 -0.532 0.772 -6.142 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.325 1.732 -5.685 1.00 1.00 H new ATOM 0 HB VAL A 15 -3.871 -0.827 -5.557 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -4.363 -0.938 -7.984 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -4.758 0.667 -7.325 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -3.268 0.435 -8.269 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -2.464 -2.249 -7.026 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -1.371 -0.874 -7.309 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -1.510 -1.580 -5.681 1.00 1.00 H new ATOM 210 N TYR A 16 -3.179 0.446 -3.353 1.00 1.00 N ATOM 211 CA TYR A 16 -2.859 0.209 -1.916 1.00 1.00 C ATOM 212 C TYR A 16 -3.254 -1.219 -1.532 1.00 1.00 C ATOM 213 O TYR A 16 -4.256 -1.733 -1.983 1.00 1.00 O ATOM 214 CB TYR A 16 -3.705 1.225 -1.149 1.00 1.00 C ATOM 215 CG TYR A 16 -3.604 2.573 -1.821 1.00 1.00 C ATOM 216 CD1 TYR A 16 -3.920 2.704 -3.179 1.00 1.00 C ATOM 217 CD2 TYR A 16 -3.194 3.693 -1.087 1.00 1.00 C ATOM 218 CE1 TYR A 16 -3.825 3.954 -3.802 1.00 1.00 C ATOM 219 CE2 TYR A 16 -3.099 4.942 -1.710 1.00 1.00 C ATOM 220 CZ TYR A 16 -3.415 5.073 -3.068 1.00 1.00 C ATOM 221 OH TYR A 16 -3.322 6.306 -3.683 1.00 1.00 O ATOM 0 H TYR A 16 -4.170 0.401 -3.591 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.797 0.322 -1.698 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.745 0.899 -1.118 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.362 1.295 -0.117 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -4.237 1.841 -3.746 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -2.951 3.592 -0.039 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -4.068 4.055 -4.849 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -2.782 5.805 -1.144 1.00 1.00 H new ATOM 0 HH TYR A 16 -3.024 6.975 -3.032 1.00 1.00 H new ATOM 231 N GLU A 17 -2.474 -1.868 -0.712 1.00 1.00 N ATOM 232 CA GLU A 17 -2.817 -3.266 -0.320 1.00 1.00 C ATOM 233 C GLU A 17 -3.011 -3.372 1.194 1.00 1.00 C ATOM 234 O GLU A 17 -2.129 -3.062 1.969 1.00 1.00 O ATOM 235 CB GLU A 17 -1.620 -4.107 -0.767 1.00 1.00 C ATOM 236 CG GLU A 17 -0.328 -3.470 -0.252 1.00 1.00 C ATOM 237 CD GLU A 17 0.853 -3.964 -1.091 1.00 1.00 C ATOM 238 OE1 GLU A 17 0.657 -4.202 -2.272 1.00 1.00 O ATOM 239 OE2 GLU A 17 1.932 -4.097 -0.537 1.00 1.00 O ATOM 0 H GLU A 17 -1.620 -1.495 -0.298 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.748 -3.600 -0.777 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -1.714 -5.124 -0.386 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -1.596 -4.175 -1.855 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -0.398 -2.384 -0.307 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -0.176 -3.727 0.796 1.00 1.00 H new ATOM 246 N PHE A 18 -4.163 -3.816 1.617 1.00 1.00 N ATOM 247 CA PHE A 18 -4.424 -3.953 3.078 1.00 1.00 C ATOM 248 C PHE A 18 -5.111 -5.292 3.359 1.00 1.00 C ATOM 249 O PHE A 18 -5.972 -5.725 2.619 1.00 1.00 O ATOM 250 CB PHE A 18 -5.353 -2.791 3.428 1.00 1.00 C ATOM 251 CG PHE A 18 -4.816 -1.516 2.821 1.00 1.00 C ATOM 252 CD1 PHE A 18 -3.833 -0.781 3.495 1.00 1.00 C ATOM 253 CD2 PHE A 18 -5.301 -1.071 1.586 1.00 1.00 C ATOM 254 CE1 PHE A 18 -3.336 0.401 2.932 1.00 1.00 C ATOM 255 CE2 PHE A 18 -4.804 0.110 1.024 1.00 1.00 C ATOM 256 CZ PHE A 18 -3.821 0.846 1.697 1.00 1.00 C ATOM 0 H PHE A 18 -4.937 -4.091 1.012 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.508 -3.930 3.668 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -6.358 -2.989 3.054 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -5.430 -2.687 4.510 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.459 -1.125 4.448 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -6.059 -1.639 1.067 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -2.578 0.969 3.451 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -5.178 0.454 0.071 1.00 1.00 H new ATOM 0 HZ PHE A 18 -3.437 1.757 1.263 1.00 1.00 H new ATOM 266 N ILE A 19 -4.740 -5.951 4.422 1.00 1.00 N ATOM 267 CA ILE A 19 -5.376 -7.260 4.744 1.00 1.00 C ATOM 268 C ILE A 19 -6.719 -7.038 5.439 1.00 1.00 C ATOM 269 O ILE A 19 -6.823 -6.282 6.384 1.00 1.00 O ATOM 270 CB ILE A 19 -4.392 -7.958 5.683 1.00 1.00 C ATOM 271 CG1 ILE A 19 -3.592 -9.001 4.898 1.00 1.00 C ATOM 272 CG2 ILE A 19 -5.165 -8.651 6.807 1.00 1.00 C ATOM 273 CD1 ILE A 19 -4.534 -10.092 4.388 1.00 1.00 C ATOM 0 H ILE A 19 -4.025 -5.641 5.080 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.576 -7.853 3.852 1.00 1.00 H new ATOM 0 HB ILE A 19 -3.711 -7.221 6.110 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -3.081 -8.527 4.060 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -2.823 -9.439 5.534 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.464 -9.149 7.477 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -5.737 -7.910 7.366 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.845 -9.388 6.380 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -3.963 -10.834 3.829 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -5.025 -10.574 5.234 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -5.287 -9.648 3.737 1.00 1.00 H new ATOM 285 N HIS A 20 -7.748 -7.692 4.978 1.00 1.00 N ATOM 286 CA HIS A 20 -9.086 -7.521 5.614 1.00 1.00 C ATOM 287 C HIS A 20 -9.903 -8.805 5.470 1.00 1.00 C ATOM 288 O HIS A 20 -9.382 -9.898 5.570 1.00 1.00 O ATOM 289 CB HIS A 20 -9.746 -6.375 4.846 1.00 1.00 C ATOM 290 CG HIS A 20 -10.865 -5.800 5.670 1.00 1.00 C ATOM 291 ND1 HIS A 20 -10.654 -4.804 6.611 1.00 1.00 N ATOM 292 CD2 HIS A 20 -12.211 -6.069 5.706 1.00 1.00 C ATOM 293 CE1 HIS A 20 -11.843 -4.513 7.167 1.00 1.00 C ATOM 294 NE2 HIS A 20 -12.826 -5.255 6.652 1.00 1.00 N ATOM 0 H HIS A 20 -7.722 -8.338 4.189 1.00 1.00 H new ATOM 0 HA HIS A 20 -9.014 -7.307 6.680 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -9.011 -5.602 4.622 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -10.130 -6.736 3.892 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -9.759 -4.371 6.840 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -12.716 -6.801 5.093 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -11.986 -3.769 7.937 1.00 1.00 H new ATOM 302 N SER A 21 -11.179 -8.685 5.228 1.00 1.00 N ATOM 303 CA SER A 21 -12.023 -9.903 5.070 1.00 1.00 C ATOM 304 C SER A 21 -11.562 -10.695 3.845 1.00 1.00 C ATOM 305 O SER A 21 -11.546 -11.910 3.847 1.00 1.00 O ATOM 306 CB SER A 21 -13.443 -9.379 4.870 1.00 1.00 C ATOM 307 OG SER A 21 -13.404 -8.214 4.057 1.00 1.00 O ATOM 0 H SER A 21 -11.673 -7.798 5.133 1.00 1.00 H new ATOM 0 HA SER A 21 -11.958 -10.571 5.929 1.00 1.00 H new ATOM 0 HB2 SER A 21 -14.062 -10.143 4.400 1.00 1.00 H new ATOM 0 HB3 SER A 21 -13.897 -9.149 5.834 1.00 1.00 H new ATOM 0 HG SER A 21 -13.861 -8.392 3.209 1.00 1.00 H new ATOM 313 N THR A 22 -11.179 -10.013 2.801 1.00 1.00 N ATOM 314 CA THR A 22 -10.708 -10.720 1.577 1.00 1.00 C ATOM 315 C THR A 22 -9.184 -10.824 1.604 1.00 1.00 C ATOM 316 O THR A 22 -8.551 -11.120 0.609 1.00 1.00 O ATOM 317 CB THR A 22 -11.168 -9.846 0.409 1.00 1.00 C ATOM 318 OG1 THR A 22 -11.167 -10.615 -0.785 1.00 1.00 O ATOM 319 CG2 THR A 22 -10.218 -8.657 0.254 1.00 1.00 C ATOM 0 H THR A 22 -11.172 -8.995 2.743 1.00 1.00 H new ATOM 0 HA THR A 22 -11.102 -11.733 1.499 1.00 1.00 H new ATOM 0 HB THR A 22 -12.176 -9.479 0.604 1.00 1.00 H new ATOM 0 HG1 THR A 22 -10.324 -11.110 -0.855 1.00 1.00 H new ATOM 0 HG21 THR A 22 -10.547 -8.035 -0.579 1.00 1.00 H new ATOM 0 HG22 THR A 22 -10.221 -8.067 1.171 1.00 1.00 H new ATOM 0 HG23 THR A 22 -9.209 -9.020 0.059 1.00 1.00 H new ATOM 327 N GLY A 23 -8.591 -10.568 2.737 1.00 1.00 N ATOM 328 CA GLY A 23 -7.108 -10.635 2.832 1.00 1.00 C ATOM 329 C GLY A 23 -6.532 -9.243 2.572 1.00 1.00 C ATOM 330 O GLY A 23 -6.815 -8.302 3.285 1.00 1.00 O ATOM 0 H GLY A 23 -9.071 -10.315 3.601 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -6.809 -10.988 3.819 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -6.716 -11.347 2.106 1.00 1.00 H new ATOM 334 N SER A 24 -5.731 -9.103 1.554 1.00 1.00 N ATOM 335 CA SER A 24 -5.138 -7.770 1.244 1.00 1.00 C ATOM 336 C SER A 24 -6.045 -6.993 0.287 1.00 1.00 C ATOM 337 O SER A 24 -6.692 -7.561 -0.570 1.00 1.00 O ATOM 338 CB SER A 24 -3.797 -8.079 0.579 1.00 1.00 C ATOM 339 OG SER A 24 -3.024 -6.888 0.506 1.00 1.00 O ATOM 0 H SER A 24 -5.460 -9.855 0.921 1.00 1.00 H new ATOM 0 HA SER A 24 -5.020 -7.155 2.136 1.00 1.00 H new ATOM 0 HB2 SER A 24 -3.262 -8.839 1.148 1.00 1.00 H new ATOM 0 HB3 SER A 24 -3.958 -8.484 -0.420 1.00 1.00 H new ATOM 0 HG SER A 24 -2.079 -7.118 0.389 1.00 1.00 H new ATOM 345 N ILE A 25 -6.093 -5.697 0.427 1.00 1.00 N ATOM 346 CA ILE A 25 -6.954 -4.879 -0.474 1.00 1.00 C ATOM 347 C ILE A 25 -6.086 -3.960 -1.337 1.00 1.00 C ATOM 348 O ILE A 25 -5.296 -3.186 -0.834 1.00 1.00 O ATOM 349 CB ILE A 25 -7.839 -4.058 0.461 1.00 1.00 C ATOM 350 CG1 ILE A 25 -9.147 -4.810 0.717 1.00 1.00 C ATOM 351 CG2 ILE A 25 -8.149 -2.706 -0.184 1.00 1.00 C ATOM 352 CD1 ILE A 25 -10.012 -4.010 1.693 1.00 1.00 C ATOM 0 H ILE A 25 -5.573 -5.168 1.127 1.00 1.00 H new ATOM 0 HA ILE A 25 -7.543 -5.493 -1.155 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.318 -3.900 1.405 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -9.682 -4.961 -0.221 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -8.937 -5.798 1.126 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -8.781 -2.121 0.484 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -7.219 -2.168 -0.367 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -8.669 -2.864 -1.129 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -10.944 -4.545 1.876 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -9.476 -3.882 2.634 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -10.233 -3.032 1.266 1.00 1.00 H new ATOM 364 N MET A 26 -6.224 -4.039 -2.631 1.00 1.00 N ATOM 365 CA MET A 26 -5.401 -3.168 -3.520 1.00 1.00 C ATOM 366 C MET A 26 -6.236 -1.996 -4.043 1.00 1.00 C ATOM 367 O MET A 26 -7.293 -2.178 -4.614 1.00 1.00 O ATOM 368 CB MET A 26 -4.974 -4.076 -4.674 1.00 1.00 C ATOM 369 CG MET A 26 -3.928 -5.076 -4.178 1.00 1.00 C ATOM 370 SD MET A 26 -2.601 -5.217 -5.402 1.00 1.00 S ATOM 371 CE MET A 26 -1.599 -3.831 -4.811 1.00 1.00 C ATOM 0 H MET A 26 -6.869 -4.667 -3.112 1.00 1.00 H new ATOM 0 HA MET A 26 -4.547 -2.738 -2.997 1.00 1.00 H new ATOM 0 HB2 MET A 26 -5.839 -4.606 -5.072 1.00 1.00 H new ATOM 0 HB3 MET A 26 -4.564 -3.478 -5.488 1.00 1.00 H new ATOM 0 HG2 MET A 26 -3.521 -4.749 -3.221 1.00 1.00 H new ATOM 0 HG3 MET A 26 -4.390 -6.049 -4.012 1.00 1.00 H new ATOM 0 HE1 MET A 26 -1.228 -3.261 -5.663 1.00 1.00 H new ATOM 0 HE2 MET A 26 -2.208 -3.185 -4.179 1.00 1.00 H new ATOM 0 HE3 MET A 26 -0.756 -4.211 -4.234 1.00 1.00 H new ATOM 381 N LYS A 27 -5.768 -0.793 -3.849 1.00 1.00 N ATOM 382 CA LYS A 27 -6.532 0.393 -4.334 1.00 1.00 C ATOM 383 C LYS A 27 -6.036 0.810 -5.721 1.00 1.00 C ATOM 384 O LYS A 27 -4.852 0.813 -5.991 1.00 1.00 O ATOM 385 CB LYS A 27 -6.249 1.494 -3.310 1.00 1.00 C ATOM 386 CG LYS A 27 -7.452 1.645 -2.378 1.00 1.00 C ATOM 387 CD LYS A 27 -6.964 1.848 -0.942 1.00 1.00 C ATOM 388 CE LYS A 27 -7.019 3.336 -0.590 1.00 1.00 C ATOM 389 NZ LYS A 27 -8.429 3.584 -0.179 1.00 1.00 N ATOM 0 H LYS A 27 -4.890 -0.580 -3.376 1.00 1.00 H new ATOM 0 HA LYS A 27 -7.598 0.187 -4.426 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -5.357 1.248 -2.733 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -6.050 2.437 -3.819 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -8.062 2.493 -2.689 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -8.084 0.759 -2.437 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -7.585 1.277 -0.252 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -5.945 1.476 -0.837 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -6.325 3.577 0.215 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -6.743 3.954 -1.444 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -8.853 4.296 -0.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -8.970 2.698 -0.244 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -8.449 3.931 0.801 1.00 1.00 H new ATOM 402 N ARG A 28 -6.932 1.160 -6.603 1.00 1.00 N ATOM 403 CA ARG A 28 -6.507 1.574 -7.971 1.00 1.00 C ATOM 404 C ARG A 28 -5.995 3.015 -7.958 1.00 1.00 C ATOM 405 O ARG A 28 -6.749 3.953 -7.787 1.00 1.00 O ATOM 406 CB ARG A 28 -7.767 1.460 -8.831 1.00 1.00 C ATOM 407 CG ARG A 28 -7.402 0.866 -10.193 1.00 1.00 C ATOM 408 CD ARG A 28 -8.571 1.056 -11.163 1.00 1.00 C ATOM 409 NE ARG A 28 -8.181 0.300 -12.384 1.00 1.00 N ATOM 410 CZ ARG A 28 -8.202 0.887 -13.550 1.00 1.00 C ATOM 411 NH1 ARG A 28 -8.566 2.136 -13.646 1.00 1.00 N ATOM 412 NH2 ARG A 28 -7.859 0.223 -14.620 1.00 1.00 N ATOM 0 H ARG A 28 -7.938 1.177 -6.436 1.00 1.00 H new ATOM 0 HA ARG A 28 -5.695 0.955 -8.353 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -8.504 0.830 -8.333 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -8.222 2.442 -8.961 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -6.508 1.351 -10.585 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -7.170 -0.194 -10.089 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -9.501 0.674 -10.741 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -8.732 2.111 -11.386 1.00 1.00 H new ATOM 0 HE ARG A 28 -7.897 -0.677 -12.310 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -8.834 2.655 -12.810 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -8.582 2.594 -14.557 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -7.575 -0.754 -14.545 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -7.875 0.681 -15.531 1.00 1.00 H new ATOM 425 N LYS A 29 -4.716 3.198 -8.137 1.00 1.00 N ATOM 426 CA LYS A 29 -4.148 4.575 -8.137 1.00 1.00 C ATOM 427 C LYS A 29 -4.789 5.414 -9.245 1.00 1.00 C ATOM 428 O LYS A 29 -4.916 6.617 -9.134 1.00 1.00 O ATOM 429 CB LYS A 29 -2.658 4.388 -8.403 1.00 1.00 C ATOM 430 CG LYS A 29 -2.008 5.749 -8.663 1.00 1.00 C ATOM 431 CD LYS A 29 -2.464 6.281 -10.022 1.00 1.00 C ATOM 432 CE LYS A 29 -1.527 5.760 -11.116 1.00 1.00 C ATOM 433 NZ LYS A 29 -0.180 6.273 -10.743 1.00 1.00 N ATOM 0 H LYS A 29 -4.038 2.450 -8.284 1.00 1.00 H new ATOM 0 HA LYS A 29 -4.333 5.097 -7.198 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.184 3.904 -7.549 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.511 3.733 -9.262 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -2.282 6.451 -7.875 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -0.922 5.655 -8.643 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.487 5.964 -10.224 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -2.463 7.371 -10.017 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -1.537 4.671 -11.159 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -1.829 6.121 -12.099 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 0.317 6.596 -11.597 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -0.283 7.068 -10.080 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 0.368 5.513 -10.291 1.00 1.00 H new ATOM 446 N LYS A 30 -5.191 4.787 -10.317 1.00 1.00 N ATOM 447 CA LYS A 30 -5.820 5.552 -11.432 1.00 1.00 C ATOM 448 C LYS A 30 -6.813 6.566 -10.868 1.00 1.00 C ATOM 449 O LYS A 30 -6.689 7.756 -11.078 1.00 1.00 O ATOM 450 CB LYS A 30 -6.542 4.502 -12.277 1.00 1.00 C ATOM 451 CG LYS A 30 -5.564 3.896 -13.286 1.00 1.00 C ATOM 452 CD LYS A 30 -6.066 4.162 -14.707 1.00 1.00 C ATOM 453 CE LYS A 30 -5.839 5.633 -15.062 1.00 1.00 C ATOM 454 NZ LYS A 30 -4.939 5.608 -16.248 1.00 1.00 N ATOM 0 H LYS A 30 -5.112 3.782 -10.469 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.091 6.110 -12.019 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -6.949 3.721 -11.635 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -7.384 4.956 -12.799 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -4.573 4.329 -13.152 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -5.469 2.823 -13.117 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -5.541 3.521 -15.415 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -7.126 3.918 -14.781 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -6.780 6.134 -15.291 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -5.384 6.174 -14.232 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -4.737 6.582 -16.551 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -4.049 5.132 -15.998 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -5.402 5.093 -17.024 1.00 1.00 H new ATOM 467 N ASP A 31 -7.791 6.104 -10.146 1.00 1.00 N ATOM 468 CA ASP A 31 -8.787 7.041 -9.554 1.00 1.00 C ATOM 469 C ASP A 31 -8.704 6.981 -8.030 1.00 1.00 C ATOM 470 O ASP A 31 -8.571 7.987 -7.362 1.00 1.00 O ATOM 471 CB ASP A 31 -10.147 6.536 -10.039 1.00 1.00 C ATOM 472 CG ASP A 31 -10.727 7.523 -11.054 1.00 1.00 C ATOM 473 OD1 ASP A 31 -10.141 8.579 -11.224 1.00 1.00 O ATOM 474 OD2 ASP A 31 -11.748 7.206 -11.643 1.00 1.00 O ATOM 0 H ASP A 31 -7.946 5.117 -9.939 1.00 1.00 H new ATOM 0 HA ASP A 31 -8.614 8.076 -9.848 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -10.040 5.551 -10.494 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -10.827 6.425 -9.195 1.00 1.00 H new ATOM 479 N ASP A 32 -8.786 5.804 -7.477 1.00 1.00 N ATOM 480 CA ASP A 32 -8.717 5.664 -5.994 1.00 1.00 C ATOM 481 C ASP A 32 -9.904 4.837 -5.492 1.00 1.00 C ATOM 482 O ASP A 32 -10.586 5.214 -4.559 1.00 1.00 O ATOM 483 CB ASP A 32 -8.790 7.093 -5.456 1.00 1.00 C ATOM 484 CG ASP A 32 -9.099 7.061 -3.958 1.00 1.00 C ATOM 485 OD1 ASP A 32 -8.985 5.997 -3.373 1.00 1.00 O ATOM 486 OD2 ASP A 32 -9.442 8.101 -3.422 1.00 1.00 O ATOM 0 H ASP A 32 -8.898 4.929 -7.989 1.00 1.00 H new ATOM 0 HA ASP A 32 -7.811 5.155 -5.666 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -7.845 7.608 -5.632 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -9.561 7.653 -5.985 1.00 1.00 H new ATOM 491 N TRP A 33 -10.157 3.715 -6.109 1.00 1.00 N ATOM 492 CA TRP A 33 -11.301 2.863 -5.675 1.00 1.00 C ATOM 493 C TRP A 33 -10.818 1.771 -4.716 1.00 1.00 C ATOM 494 O TRP A 33 -9.649 1.440 -4.677 1.00 1.00 O ATOM 495 CB TRP A 33 -11.842 2.244 -6.964 1.00 1.00 C ATOM 496 CG TRP A 33 -11.373 3.047 -8.135 1.00 1.00 C ATOM 497 CD1 TRP A 33 -10.087 3.149 -8.541 1.00 1.00 C ATOM 498 CD2 TRP A 33 -12.159 3.859 -9.055 1.00 1.00 C ATOM 499 NE1 TRP A 33 -10.033 3.972 -9.651 1.00 1.00 N ATOM 500 CE2 TRP A 33 -11.284 4.435 -10.007 1.00 1.00 C ATOM 501 CE3 TRP A 33 -13.531 4.150 -9.156 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -11.754 5.269 -11.022 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -14.008 4.989 -10.176 1.00 1.00 C ATOM 504 CH2 TRP A 33 -13.121 5.548 -11.107 1.00 1.00 C ATOM 0 H TRP A 33 -9.620 3.351 -6.896 1.00 1.00 H new ATOM 0 HA TRP A 33 -12.063 3.434 -5.144 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -11.501 1.213 -7.056 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.931 2.219 -6.939 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -9.241 2.667 -8.075 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -9.173 4.208 -10.147 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -14.223 3.725 -8.444 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -11.066 5.696 -11.737 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -15.064 5.205 -10.244 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -13.494 6.193 -11.889 1.00 1.00 H new ATOM 515 N VAL A 34 -11.707 1.209 -3.943 1.00 1.00 N ATOM 516 CA VAL A 34 -11.296 0.138 -2.989 1.00 1.00 C ATOM 517 C VAL A 34 -12.065 -1.154 -3.282 1.00 1.00 C ATOM 518 O VAL A 34 -13.128 -1.135 -3.869 1.00 1.00 O ATOM 519 CB VAL A 34 -11.664 0.678 -1.607 1.00 1.00 C ATOM 520 CG1 VAL A 34 -13.077 0.223 -1.240 1.00 1.00 C ATOM 521 CG2 VAL A 34 -10.672 0.142 -0.572 1.00 1.00 C ATOM 0 H VAL A 34 -12.699 1.444 -3.930 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.235 -0.099 -3.065 1.00 1.00 H new ATOM 0 HB VAL A 34 -11.626 1.767 -1.620 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -13.339 0.608 -0.255 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -13.784 0.602 -1.978 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -13.116 -0.866 -1.226 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -10.932 0.526 0.414 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -10.712 -0.947 -0.560 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -9.664 0.465 -0.833 1.00 1.00 H new ATOM 531 N ASN A 35 -11.534 -2.276 -2.880 1.00 1.00 N ATOM 532 CA ASN A 35 -12.233 -3.568 -3.138 1.00 1.00 C ATOM 533 C ASN A 35 -13.534 -3.642 -2.332 1.00 1.00 C ATOM 534 O ASN A 35 -13.531 -3.953 -1.157 1.00 1.00 O ATOM 535 CB ASN A 35 -11.255 -4.646 -2.672 1.00 1.00 C ATOM 536 CG ASN A 35 -10.074 -3.990 -1.955 1.00 1.00 C ATOM 537 OD1 ASN A 35 -10.206 -2.917 -1.398 1.00 1.00 O ATOM 538 ND2 ASN A 35 -8.917 -4.592 -1.944 1.00 1.00 N ATOM 0 H ASN A 35 -10.646 -2.355 -2.384 1.00 1.00 H new ATOM 0 HA ASN A 35 -12.504 -3.686 -4.187 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -11.758 -5.343 -2.002 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -10.900 -5.223 -3.526 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -8.123 -4.163 -1.468 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -8.806 -5.492 -2.411 1.00 1.00 H new ATOM 545 N ALA A 36 -14.646 -3.359 -2.954 1.00 1.00 N ATOM 546 CA ALA A 36 -15.945 -3.414 -2.223 1.00 1.00 C ATOM 547 C ALA A 36 -16.028 -4.691 -1.381 1.00 1.00 C ATOM 548 O ALA A 36 -16.760 -4.758 -0.413 1.00 1.00 O ATOM 549 CB ALA A 36 -17.014 -3.422 -3.317 1.00 1.00 C ATOM 0 H ALA A 36 -14.712 -3.092 -3.936 1.00 1.00 H new ATOM 0 HA ALA A 36 -16.068 -2.576 -1.538 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -18.003 -3.462 -2.859 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -16.928 -2.516 -3.917 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -16.875 -4.294 -3.956 1.00 1.00 H new ATOM 555 N THR A 37 -15.282 -5.704 -1.735 1.00 1.00 N ATOM 556 CA THR A 37 -15.326 -6.966 -0.942 1.00 1.00 C ATOM 557 C THR A 37 -14.902 -6.683 0.500 1.00 1.00 C ATOM 558 O THR A 37 -15.511 -7.151 1.440 1.00 1.00 O ATOM 559 CB THR A 37 -14.329 -7.907 -1.621 1.00 1.00 C ATOM 560 OG1 THR A 37 -14.542 -7.885 -3.026 1.00 1.00 O ATOM 561 CG2 THR A 37 -14.531 -9.327 -1.092 1.00 1.00 C ATOM 0 H THR A 37 -14.648 -5.712 -2.534 1.00 1.00 H new ATOM 0 HA THR A 37 -16.325 -7.400 -0.908 1.00 1.00 H new ATOM 0 HB THR A 37 -13.311 -7.582 -1.404 1.00 1.00 H new ATOM 0 HG1 THR A 37 -13.903 -8.486 -3.463 1.00 1.00 H new ATOM 0 HG21 THR A 37 -13.822 -9.999 -1.574 1.00 1.00 H new ATOM 0 HG22 THR A 37 -14.368 -9.340 -0.014 1.00 1.00 H new ATOM 0 HG23 THR A 37 -15.547 -9.655 -1.310 1.00 1.00 H new ATOM 569 N HIS A 38 -13.871 -5.904 0.679 1.00 1.00 N ATOM 570 CA HIS A 38 -13.424 -5.573 2.060 1.00 1.00 C ATOM 571 C HIS A 38 -14.493 -4.718 2.740 1.00 1.00 C ATOM 572 O HIS A 38 -14.642 -4.722 3.946 1.00 1.00 O ATOM 573 CB HIS A 38 -12.128 -4.781 1.883 1.00 1.00 C ATOM 574 CG HIS A 38 -12.189 -3.527 2.710 1.00 1.00 C ATOM 575 ND1 HIS A 38 -12.103 -2.264 2.147 1.00 1.00 N ATOM 576 CD2 HIS A 38 -12.329 -3.325 4.062 1.00 1.00 C ATOM 577 CE1 HIS A 38 -12.190 -1.367 3.146 1.00 1.00 C ATOM 578 NE2 HIS A 38 -12.329 -1.961 4.335 1.00 1.00 N ATOM 0 H HIS A 38 -13.320 -5.484 -0.070 1.00 1.00 H new ATOM 0 HA HIS A 38 -13.267 -6.457 2.679 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -11.275 -5.388 2.186 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -11.984 -4.530 0.832 1.00 1.00 H new ATOM 0 HD1 HIS A 38 -11.994 -2.053 1.155 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -12.425 -4.107 4.801 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -12.152 -0.297 3.004 1.00 1.00 H new ATOM 586 N ILE A 39 -15.247 -3.990 1.960 1.00 1.00 N ATOM 587 CA ILE A 39 -16.323 -3.136 2.532 1.00 1.00 C ATOM 588 C ILE A 39 -17.626 -3.936 2.608 1.00 1.00 C ATOM 589 O ILE A 39 -18.260 -4.021 3.641 1.00 1.00 O ATOM 590 CB ILE A 39 -16.463 -1.978 1.545 1.00 1.00 C ATOM 591 CG1 ILE A 39 -15.603 -0.803 2.012 1.00 1.00 C ATOM 592 CG2 ILE A 39 -17.926 -1.542 1.467 1.00 1.00 C ATOM 593 CD1 ILE A 39 -14.337 -0.732 1.158 1.00 1.00 C ATOM 0 H ILE A 39 -15.161 -3.952 0.944 1.00 1.00 H new ATOM 0 HA ILE A 39 -16.097 -2.788 3.540 1.00 1.00 H new ATOM 0 HB ILE A 39 -16.131 -2.302 0.559 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -16.164 0.128 1.930 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -15.340 -0.925 3.063 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -18.022 -0.716 0.762 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -18.538 -2.379 1.131 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -18.263 -1.219 2.452 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -13.722 0.105 1.488 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -13.775 -1.660 1.263 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -14.611 -0.590 0.113 1.00 1.00 H new ATOM 605 N LEU A 40 -18.018 -4.533 1.516 1.00 1.00 N ATOM 606 CA LEU A 40 -19.269 -5.342 1.512 1.00 1.00 C ATOM 607 C LEU A 40 -18.947 -6.797 1.860 1.00 1.00 C ATOM 608 O LEU A 40 -19.565 -7.393 2.720 1.00 1.00 O ATOM 609 CB LEU A 40 -19.805 -5.237 0.084 1.00 1.00 C ATOM 610 CG LEU A 40 -21.165 -4.535 0.099 1.00 1.00 C ATOM 611 CD1 LEU A 40 -22.279 -5.583 0.103 1.00 1.00 C ATOM 612 CD2 LEU A 40 -21.275 -3.668 1.354 1.00 1.00 C ATOM 0 H LEU A 40 -17.524 -4.495 0.624 1.00 1.00 H new ATOM 0 HA LEU A 40 -19.996 -4.990 2.244 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -19.104 -4.681 -0.539 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -19.902 -6.231 -0.353 1.00 1.00 H new ATOM 0 HG LEU A 40 -21.261 -3.907 -0.787 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -23.248 -5.084 0.114 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -22.199 -6.202 -0.791 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -22.185 -6.211 0.989 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -22.243 -3.167 1.366 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -21.180 -4.296 2.240 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -20.480 -2.922 1.352 1.00 1.00 H new ATOM 624 N LYS A 41 -17.973 -7.368 1.203 1.00 1.00 N ATOM 625 CA LYS A 41 -17.602 -8.782 1.497 1.00 1.00 C ATOM 626 C LYS A 41 -17.022 -8.885 2.909 1.00 1.00 C ATOM 627 O LYS A 41 -17.068 -9.924 3.537 1.00 1.00 O ATOM 628 CB LYS A 41 -16.543 -9.139 0.453 1.00 1.00 C ATOM 629 CG LYS A 41 -16.008 -10.545 0.729 1.00 1.00 C ATOM 630 CD LYS A 41 -14.536 -10.460 1.139 1.00 1.00 C ATOM 631 CE LYS A 41 -13.669 -11.144 0.080 1.00 1.00 C ATOM 632 NZ LYS A 41 -13.135 -12.362 0.749 1.00 1.00 N ATOM 0 H LYS A 41 -17.419 -6.916 0.476 1.00 1.00 H new ATOM 0 HA LYS A 41 -18.458 -9.456 1.452 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -16.973 -9.092 -0.547 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -15.728 -8.416 0.484 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -16.590 -11.018 1.520 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -16.114 -11.167 -0.160 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -14.238 -9.417 1.249 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -14.389 -10.938 2.108 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -14.254 -11.403 -0.803 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -12.863 -10.490 -0.253 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -12.282 -12.687 0.250 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -12.895 -12.139 1.736 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -13.855 -13.113 0.729 1.00 1.00 H new ATOM 645 N ALA A 42 -16.483 -7.810 3.413 1.00 1.00 N ATOM 646 CA ALA A 42 -15.906 -7.840 4.786 1.00 1.00 C ATOM 647 C ALA A 42 -17.025 -8.020 5.813 1.00 1.00 C ATOM 648 O ALA A 42 -16.802 -8.469 6.920 1.00 1.00 O ATOM 649 CB ALA A 42 -15.225 -6.483 4.962 1.00 1.00 C ATOM 0 H ALA A 42 -16.417 -6.912 2.934 1.00 1.00 H new ATOM 0 HA ALA A 42 -15.205 -8.663 4.927 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -14.774 -6.428 5.953 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -14.451 -6.363 4.204 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -15.964 -5.689 4.855 1.00 1.00 H new ATOM 655 N ALA A 43 -18.229 -7.665 5.453 1.00 1.00 N ATOM 656 CA ALA A 43 -19.365 -7.809 6.409 1.00 1.00 C ATOM 657 C ALA A 43 -20.426 -8.761 5.846 1.00 1.00 C ATOM 658 O ALA A 43 -21.474 -8.947 6.431 1.00 1.00 O ATOM 659 CB ALA A 43 -19.936 -6.399 6.558 1.00 1.00 C ATOM 0 H ALA A 43 -18.475 -7.282 4.540 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.046 -8.226 7.364 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -20.779 -6.419 7.248 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -19.165 -5.733 6.946 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.271 -6.038 5.586 1.00 1.00 H new ATOM 665 N ASN A 44 -20.168 -9.363 4.716 1.00 1.00 N ATOM 666 CA ASN A 44 -21.174 -10.296 4.131 1.00 1.00 C ATOM 667 C ASN A 44 -20.479 -11.422 3.359 1.00 1.00 C ATOM 668 O ASN A 44 -21.085 -12.096 2.552 1.00 1.00 O ATOM 669 CB ASN A 44 -22.008 -9.434 3.183 1.00 1.00 C ATOM 670 CG ASN A 44 -21.136 -8.970 2.014 1.00 1.00 C ATOM 671 OD1 ASN A 44 -20.536 -9.777 1.333 1.00 1.00 O ATOM 672 ND2 ASN A 44 -21.042 -7.695 1.752 1.00 1.00 N ATOM 0 H ASN A 44 -19.310 -9.250 4.176 1.00 1.00 H new ATOM 0 HA ASN A 44 -21.785 -10.772 4.898 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -22.860 -10.003 2.811 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -22.409 -8.572 3.716 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -20.464 -7.375 0.975 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -21.546 -7.018 2.325 1.00 1.00 H new ATOM 679 N PHE A 45 -19.213 -11.630 3.597 1.00 1.00 N ATOM 680 CA PHE A 45 -18.490 -12.712 2.870 1.00 1.00 C ATOM 681 C PHE A 45 -18.814 -12.644 1.375 1.00 1.00 C ATOM 682 O PHE A 45 -19.828 -12.107 0.977 1.00 1.00 O ATOM 683 CB PHE A 45 -19.014 -14.016 3.475 1.00 1.00 C ATOM 684 CG PHE A 45 -19.528 -13.755 4.870 1.00 1.00 C ATOM 685 CD1 PHE A 45 -18.728 -13.071 5.794 1.00 1.00 C ATOM 686 CD2 PHE A 45 -20.804 -14.196 5.241 1.00 1.00 C ATOM 687 CE1 PHE A 45 -19.205 -12.828 7.088 1.00 1.00 C ATOM 688 CE2 PHE A 45 -21.281 -13.955 6.534 1.00 1.00 C ATOM 689 CZ PHE A 45 -20.481 -13.271 7.458 1.00 1.00 C ATOM 0 H PHE A 45 -18.649 -11.099 4.261 1.00 1.00 H new ATOM 0 HA PHE A 45 -17.408 -12.627 2.967 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -19.811 -14.423 2.853 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -18.219 -14.761 3.503 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -17.743 -12.731 5.509 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -21.421 -14.723 4.528 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -18.589 -12.299 7.800 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -22.265 -14.296 6.819 1.00 1.00 H new ATOM 0 HZ PHE A 45 -20.848 -13.085 8.456 1.00 1.00 H new ATOM 699 N ALA A 46 -17.962 -13.178 0.545 1.00 1.00 N ATOM 700 CA ALA A 46 -18.228 -13.133 -0.922 1.00 1.00 C ATOM 701 C ALA A 46 -18.940 -14.407 -1.378 1.00 1.00 C ATOM 702 O ALA A 46 -18.322 -15.396 -1.720 1.00 1.00 O ATOM 703 CB ALA A 46 -16.849 -13.023 -1.574 1.00 1.00 C ATOM 0 H ALA A 46 -17.095 -13.642 0.817 1.00 1.00 H new ATOM 0 HA ALA A 46 -18.875 -12.299 -1.195 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -16.961 -12.985 -2.658 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -16.354 -12.115 -1.228 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -16.248 -13.890 -1.302 1.00 1.00 H new ATOM 709 N LYS A 47 -20.241 -14.376 -1.395 1.00 1.00 N ATOM 710 CA LYS A 47 -21.026 -15.562 -1.836 1.00 1.00 C ATOM 711 C LYS A 47 -22.114 -15.097 -2.801 1.00 1.00 C ATOM 712 O LYS A 47 -22.095 -13.973 -3.264 1.00 1.00 O ATOM 713 CB LYS A 47 -21.641 -16.135 -0.558 1.00 1.00 C ATOM 714 CG LYS A 47 -20.715 -15.851 0.626 1.00 1.00 C ATOM 715 CD LYS A 47 -20.860 -16.964 1.666 1.00 1.00 C ATOM 716 CE LYS A 47 -19.841 -18.068 1.378 1.00 1.00 C ATOM 717 NZ LYS A 47 -19.907 -18.278 -0.095 1.00 1.00 N ATOM 0 H LYS A 47 -20.802 -13.570 -1.119 1.00 1.00 H new ATOM 0 HA LYS A 47 -20.422 -16.309 -2.350 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -22.620 -15.690 -0.382 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -21.793 -17.209 -0.665 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -19.681 -15.789 0.286 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -20.962 -14.888 1.072 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -20.704 -16.563 2.667 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -21.871 -17.371 1.640 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -18.839 -17.772 1.690 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -20.086 -18.982 1.919 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -19.366 -19.129 -0.349 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -20.899 -18.398 -0.384 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -19.502 -17.453 -0.582 1.00 1.00 H new ATOM 730 N ALA A 48 -23.072 -15.926 -3.105 1.00 1.00 N ATOM 731 CA ALA A 48 -24.141 -15.474 -4.035 1.00 1.00 C ATOM 732 C ALA A 48 -24.690 -14.150 -3.518 1.00 1.00 C ATOM 733 O ALA A 48 -25.166 -13.321 -4.269 1.00 1.00 O ATOM 734 CB ALA A 48 -25.210 -16.566 -3.986 1.00 1.00 C ATOM 0 H ALA A 48 -23.161 -16.881 -2.757 1.00 1.00 H new ATOM 0 HA ALA A 48 -23.792 -15.321 -5.056 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -26.033 -16.300 -4.650 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -24.777 -17.514 -4.306 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -25.583 -16.664 -2.967 1.00 1.00 H new ATOM 740 N LYS A 49 -24.590 -13.932 -2.237 1.00 1.00 N ATOM 741 CA LYS A 49 -25.062 -12.649 -1.658 1.00 1.00 C ATOM 742 C LYS A 49 -24.149 -11.516 -2.135 1.00 1.00 C ATOM 743 O LYS A 49 -24.602 -10.505 -2.635 1.00 1.00 O ATOM 744 CB LYS A 49 -24.954 -12.828 -0.145 1.00 1.00 C ATOM 745 CG LYS A 49 -26.353 -12.950 0.459 1.00 1.00 C ATOM 746 CD LYS A 49 -26.240 -13.327 1.937 1.00 1.00 C ATOM 747 CE LYS A 49 -27.623 -13.702 2.476 1.00 1.00 C ATOM 748 NZ LYS A 49 -27.925 -12.671 3.508 1.00 1.00 N ATOM 0 H LYS A 49 -24.199 -14.592 -1.565 1.00 1.00 H new ATOM 0 HA LYS A 49 -26.080 -12.399 -1.957 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -24.369 -13.718 0.085 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -24.430 -11.980 0.295 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -26.890 -12.007 0.353 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -26.927 -13.706 -0.077 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -25.552 -14.164 2.058 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -25.830 -12.492 2.506 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -28.371 -13.698 1.683 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -27.621 -14.703 2.907 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -28.859 -12.860 3.925 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -27.200 -12.703 4.253 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -27.927 -11.729 3.067 1.00 1.00 H new ATOM 761 N ARG A 50 -22.858 -11.686 -1.988 1.00 1.00 N ATOM 762 CA ARG A 50 -21.913 -10.625 -2.434 1.00 1.00 C ATOM 763 C ARG A 50 -22.050 -10.404 -3.940 1.00 1.00 C ATOM 764 O ARG A 50 -21.787 -9.330 -4.445 1.00 1.00 O ATOM 765 CB ARG A 50 -20.523 -11.165 -2.092 1.00 1.00 C ATOM 766 CG ARG A 50 -19.498 -10.592 -3.073 1.00 1.00 C ATOM 767 CD ARG A 50 -19.385 -11.513 -4.289 1.00 1.00 C ATOM 768 NE ARG A 50 -18.583 -10.745 -5.280 1.00 1.00 N ATOM 769 CZ ARG A 50 -18.176 -11.321 -6.378 1.00 1.00 C ATOM 770 NH1 ARG A 50 -18.471 -12.571 -6.607 1.00 1.00 N ATOM 771 NH2 ARG A 50 -17.472 -10.646 -7.246 1.00 1.00 N ATOM 0 H ARG A 50 -22.422 -12.513 -1.579 1.00 1.00 H new ATOM 0 HA ARG A 50 -22.105 -9.666 -1.953 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -20.257 -10.893 -1.071 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -20.522 -12.254 -2.142 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -19.799 -9.593 -3.387 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -18.528 -10.494 -2.586 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -18.897 -12.452 -4.029 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -20.368 -11.764 -4.687 1.00 1.00 H new ATOM 0 HE ARG A 50 -18.351 -9.768 -5.101 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -19.020 -13.098 -5.928 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -18.153 -13.021 -7.465 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -17.240 -9.669 -7.066 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -17.154 -11.096 -8.104 1.00 1.00 H new ATOM 784 N THR A 51 -22.474 -11.407 -4.661 1.00 1.00 N ATOM 785 CA THR A 51 -22.641 -11.244 -6.132 1.00 1.00 C ATOM 786 C THR A 51 -23.793 -10.281 -6.410 1.00 1.00 C ATOM 787 O THR A 51 -23.760 -9.507 -7.346 1.00 1.00 O ATOM 788 CB THR A 51 -22.969 -12.643 -6.656 1.00 1.00 C ATOM 789 OG1 THR A 51 -21.765 -13.306 -7.014 1.00 1.00 O ATOM 790 CG2 THR A 51 -23.877 -12.531 -7.881 1.00 1.00 C ATOM 0 H THR A 51 -22.711 -12.329 -4.295 1.00 1.00 H new ATOM 0 HA THR A 51 -21.752 -10.836 -6.612 1.00 1.00 H new ATOM 0 HB THR A 51 -23.480 -13.212 -5.880 1.00 1.00 H new ATOM 0 HG1 THR A 51 -21.973 -14.203 -7.348 1.00 1.00 H new ATOM 0 HG21 THR A 51 -24.110 -13.528 -8.254 1.00 1.00 H new ATOM 0 HG22 THR A 51 -24.800 -12.022 -7.604 1.00 1.00 H new ATOM 0 HG23 THR A 51 -23.369 -11.962 -8.660 1.00 1.00 H new ATOM 798 N ARG A 52 -24.808 -10.315 -5.591 1.00 1.00 N ATOM 799 CA ARG A 52 -25.960 -9.392 -5.794 1.00 1.00 C ATOM 800 C ARG A 52 -25.710 -8.090 -5.031 1.00 1.00 C ATOM 801 O ARG A 52 -25.452 -7.056 -5.616 1.00 1.00 O ATOM 802 CB ARG A 52 -27.170 -10.131 -5.220 1.00 1.00 C ATOM 803 CG ARG A 52 -28.063 -10.613 -6.365 1.00 1.00 C ATOM 804 CD ARG A 52 -28.115 -12.142 -6.364 1.00 1.00 C ATOM 805 NE ARG A 52 -29.565 -12.477 -6.301 1.00 1.00 N ATOM 806 CZ ARG A 52 -30.415 -11.836 -7.056 1.00 1.00 C ATOM 807 NH1 ARG A 52 -29.995 -10.901 -7.864 1.00 1.00 N ATOM 808 NH2 ARG A 52 -31.685 -12.129 -7.001 1.00 1.00 N ATOM 0 H ARG A 52 -24.889 -10.942 -4.790 1.00 1.00 H new ATOM 0 HA ARG A 52 -26.111 -9.131 -6.842 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -26.841 -10.979 -4.620 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -27.732 -9.472 -4.559 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -29.067 -10.205 -6.253 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -27.676 -10.252 -7.318 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -27.653 -12.553 -7.262 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -27.577 -12.555 -5.511 1.00 1.00 H new ATOM 0 HE ARG A 52 -29.893 -13.207 -5.668 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -29.002 -10.671 -7.906 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -30.660 -10.400 -8.454 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -32.013 -12.859 -6.368 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -32.350 -11.628 -7.591 1.00 1.00 H new ATOM 821 N ILE A 53 -25.781 -8.133 -3.730 1.00 1.00 N ATOM 822 CA ILE A 53 -25.544 -6.897 -2.931 1.00 1.00 C ATOM 823 C ILE A 53 -24.291 -6.181 -3.444 1.00 1.00 C ATOM 824 O ILE A 53 -24.289 -4.981 -3.639 1.00 1.00 O ATOM 825 CB ILE A 53 -25.337 -7.383 -1.496 1.00 1.00 C ATOM 826 CG1 ILE A 53 -26.408 -8.419 -1.151 1.00 1.00 C ATOM 827 CG2 ILE A 53 -25.445 -6.198 -0.535 1.00 1.00 C ATOM 828 CD1 ILE A 53 -26.121 -9.009 0.231 1.00 1.00 C ATOM 0 H ILE A 53 -25.993 -8.969 -3.185 1.00 1.00 H new ATOM 0 HA ILE A 53 -26.371 -6.190 -3.001 1.00 1.00 H new ATOM 0 HB ILE A 53 -24.350 -7.835 -1.404 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -27.394 -7.955 -1.163 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -26.419 -9.210 -1.901 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -25.297 -6.544 0.488 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -24.683 -5.459 -0.781 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -26.432 -5.745 -0.626 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -26.884 -9.747 0.477 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -25.142 -9.487 0.226 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -26.132 -8.213 0.976 1.00 1.00 H new ATOM 840 N LEU A 54 -23.234 -6.908 -3.686 1.00 1.00 N ATOM 841 CA LEU A 54 -21.997 -6.262 -4.211 1.00 1.00 C ATOM 842 C LEU A 54 -22.255 -5.765 -5.635 1.00 1.00 C ATOM 843 O LEU A 54 -22.104 -4.598 -5.940 1.00 1.00 O ATOM 844 CB LEU A 54 -20.936 -7.363 -4.205 1.00 1.00 C ATOM 845 CG LEU A 54 -19.621 -6.800 -3.664 1.00 1.00 C ATOM 846 CD1 LEU A 54 -19.260 -7.508 -2.358 1.00 1.00 C ATOM 847 CD2 LEU A 54 -18.510 -7.029 -4.691 1.00 1.00 C ATOM 0 H LEU A 54 -23.173 -7.916 -3.544 1.00 1.00 H new ATOM 0 HA LEU A 54 -21.682 -5.405 -3.616 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -21.267 -8.199 -3.589 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -20.791 -7.749 -5.214 1.00 1.00 H new ATOM 0 HG LEU A 54 -19.732 -5.732 -3.478 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -18.323 -7.106 -1.973 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -20.051 -7.347 -1.626 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -19.148 -8.576 -2.542 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -17.572 -6.628 -4.307 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -18.400 -8.098 -4.876 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -18.766 -6.524 -5.623 1.00 1.00 H new ATOM 859 N GLU A 55 -22.640 -6.656 -6.508 1.00 1.00 N ATOM 860 CA GLU A 55 -22.908 -6.261 -7.917 1.00 1.00 C ATOM 861 C GLU A 55 -23.879 -5.079 -7.956 1.00 1.00 C ATOM 862 O GLU A 55 -23.665 -4.114 -8.658 1.00 1.00 O ATOM 863 CB GLU A 55 -23.545 -7.493 -8.551 1.00 1.00 C ATOM 864 CG GLU A 55 -22.462 -8.344 -9.219 1.00 1.00 C ATOM 865 CD GLU A 55 -22.682 -8.357 -10.732 1.00 1.00 C ATOM 866 OE1 GLU A 55 -22.350 -7.370 -11.368 1.00 1.00 O ATOM 867 OE2 GLU A 55 -23.178 -9.354 -11.230 1.00 1.00 O ATOM 0 H GLU A 55 -22.781 -7.645 -6.303 1.00 1.00 H new ATOM 0 HA GLU A 55 -22.005 -5.949 -8.441 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -24.065 -8.078 -7.792 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -24.290 -7.192 -9.287 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -21.475 -7.942 -8.988 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -22.492 -9.361 -8.828 1.00 1.00 H new ATOM 874 N LYS A 56 -24.936 -5.138 -7.193 1.00 1.00 N ATOM 875 CA LYS A 56 -25.903 -4.005 -7.182 1.00 1.00 C ATOM 876 C LYS A 56 -25.275 -2.814 -6.461 1.00 1.00 C ATOM 877 O LYS A 56 -25.206 -1.719 -6.985 1.00 1.00 O ATOM 878 CB LYS A 56 -27.122 -4.523 -6.416 1.00 1.00 C ATOM 879 CG LYS A 56 -27.837 -3.351 -5.741 1.00 1.00 C ATOM 880 CD LYS A 56 -27.848 -3.564 -4.226 1.00 1.00 C ATOM 881 CE LYS A 56 -29.275 -3.863 -3.763 1.00 1.00 C ATOM 882 NZ LYS A 56 -29.679 -2.670 -2.967 1.00 1.00 N ATOM 0 H LYS A 56 -25.171 -5.918 -6.579 1.00 1.00 H new ATOM 0 HA LYS A 56 -26.177 -3.674 -8.184 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -27.802 -5.034 -7.097 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -26.812 -5.253 -5.668 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -27.333 -2.415 -5.984 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -28.858 -3.270 -6.115 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -27.187 -4.389 -3.959 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -27.469 -2.676 -3.720 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -29.942 -4.016 -4.612 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -29.313 -4.771 -3.161 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -30.649 -2.800 -2.614 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -29.031 -2.554 -2.162 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -29.640 -1.822 -3.568 1.00 1.00 H new ATOM 895 N GLU A 57 -24.798 -3.024 -5.265 1.00 1.00 N ATOM 896 CA GLU A 57 -24.155 -1.908 -4.521 1.00 1.00 C ATOM 897 C GLU A 57 -23.026 -1.328 -5.373 1.00 1.00 C ATOM 898 O GLU A 57 -22.911 -0.131 -5.541 1.00 1.00 O ATOM 899 CB GLU A 57 -23.600 -2.543 -3.245 1.00 1.00 C ATOM 900 CG GLU A 57 -22.838 -1.489 -2.441 1.00 1.00 C ATOM 901 CD GLU A 57 -23.782 -0.340 -2.079 1.00 1.00 C ATOM 902 OE1 GLU A 57 -23.987 0.518 -2.922 1.00 1.00 O ATOM 903 OE2 GLU A 57 -24.284 -0.338 -0.968 1.00 1.00 O ATOM 0 H GLU A 57 -24.826 -3.917 -4.773 1.00 1.00 H new ATOM 0 HA GLU A 57 -24.846 -1.097 -4.291 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -24.413 -2.954 -2.647 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -22.939 -3.372 -3.497 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -22.427 -1.935 -1.535 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -21.996 -1.112 -3.022 1.00 1.00 H new ATOM 910 N VAL A 58 -22.199 -2.176 -5.921 1.00 1.00 N ATOM 911 CA VAL A 58 -21.081 -1.685 -6.774 1.00 1.00 C ATOM 912 C VAL A 58 -21.566 -1.497 -8.215 1.00 1.00 C ATOM 913 O VAL A 58 -21.278 -0.502 -8.850 1.00 1.00 O ATOM 914 CB VAL A 58 -20.016 -2.779 -6.703 1.00 1.00 C ATOM 915 CG1 VAL A 58 -20.280 -3.821 -7.792 1.00 1.00 C ATOM 916 CG2 VAL A 58 -18.634 -2.158 -6.916 1.00 1.00 C ATOM 0 H VAL A 58 -22.250 -3.189 -5.814 1.00 1.00 H new ATOM 0 HA VAL A 58 -20.695 -0.723 -6.439 1.00 1.00 H new ATOM 0 HB VAL A 58 -20.053 -3.259 -5.725 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -19.520 -4.601 -7.741 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -21.265 -4.263 -7.641 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -20.243 -3.342 -8.770 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -17.873 -2.937 -6.866 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -18.598 -1.678 -7.894 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -18.445 -1.416 -6.140 1.00 1.00 H new ATOM 926 N LEU A 59 -22.302 -2.444 -8.740 1.00 1.00 N ATOM 927 CA LEU A 59 -22.800 -2.301 -10.140 1.00 1.00 C ATOM 928 C LEU A 59 -23.151 -0.840 -10.411 1.00 1.00 C ATOM 929 O LEU A 59 -22.783 -0.277 -11.423 1.00 1.00 O ATOM 930 CB LEU A 59 -24.053 -3.176 -10.214 1.00 1.00 C ATOM 931 CG LEU A 59 -24.927 -2.715 -11.381 1.00 1.00 C ATOM 932 CD1 LEU A 59 -25.597 -1.388 -11.025 1.00 1.00 C ATOM 933 CD2 LEU A 59 -24.056 -2.527 -12.626 1.00 1.00 C ATOM 0 H LEU A 59 -22.577 -3.303 -8.264 1.00 1.00 H new ATOM 0 HA LEU A 59 -22.057 -2.601 -10.879 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -23.773 -4.221 -10.346 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -24.611 -3.111 -9.280 1.00 1.00 H new ATOM 0 HG LEU A 59 -25.692 -3.466 -11.580 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -26.220 -1.060 -11.857 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -26.217 -1.520 -10.138 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -24.833 -0.637 -10.826 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -24.678 -2.198 -13.459 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -23.292 -1.776 -12.425 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -23.578 -3.472 -12.881 1.00 1.00 H new ATOM 945 N LYS A 60 -23.850 -0.217 -9.503 1.00 1.00 N ATOM 946 CA LYS A 60 -24.210 1.215 -9.697 1.00 1.00 C ATOM 947 C LYS A 60 -22.955 2.074 -9.541 1.00 1.00 C ATOM 948 O LYS A 60 -22.949 3.252 -9.838 1.00 1.00 O ATOM 949 CB LYS A 60 -25.220 1.526 -8.590 1.00 1.00 C ATOM 950 CG LYS A 60 -24.490 1.642 -7.251 1.00 1.00 C ATOM 951 CD LYS A 60 -25.486 2.040 -6.159 1.00 1.00 C ATOM 952 CE LYS A 60 -26.571 2.936 -6.759 1.00 1.00 C ATOM 953 NZ LYS A 60 -27.511 3.206 -5.636 1.00 1.00 N ATOM 0 H LYS A 60 -24.187 -0.637 -8.637 1.00 1.00 H new ATOM 0 HA LYS A 60 -24.626 1.418 -10.684 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -25.744 2.455 -8.812 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -25.973 0.740 -8.539 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -24.018 0.693 -6.999 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -23.695 2.385 -7.321 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -25.936 1.149 -5.721 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -24.970 2.565 -5.355 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -26.147 3.861 -7.150 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -27.078 2.442 -7.588 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -28.285 3.816 -5.970 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -27.904 2.308 -5.288 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -27.002 3.683 -4.865 1.00 1.00 H new ATOM 966 N GLU A 61 -21.889 1.478 -9.082 1.00 1.00 N ATOM 967 CA GLU A 61 -20.619 2.239 -8.906 1.00 1.00 C ATOM 968 C GLU A 61 -19.573 1.749 -9.912 1.00 1.00 C ATOM 969 O GLU A 61 -19.900 1.329 -11.004 1.00 1.00 O ATOM 970 CB GLU A 61 -20.170 1.938 -7.476 1.00 1.00 C ATOM 971 CG GLU A 61 -20.547 3.109 -6.566 1.00 1.00 C ATOM 972 CD GLU A 61 -21.973 2.916 -6.047 1.00 1.00 C ATOM 973 OE1 GLU A 61 -22.365 1.776 -5.862 1.00 1.00 O ATOM 974 OE2 GLU A 61 -22.648 3.911 -5.847 1.00 1.00 O ATOM 0 H GLU A 61 -21.842 0.493 -8.820 1.00 1.00 H new ATOM 0 HA GLU A 61 -20.749 3.308 -9.073 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -20.641 1.021 -7.121 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -19.093 1.774 -7.449 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -19.850 3.172 -5.730 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -20.473 4.048 -7.115 1.00 1.00 H new ATOM 981 N THR A 62 -18.320 1.800 -9.555 1.00 1.00 N ATOM 982 CA THR A 62 -17.259 1.336 -10.496 1.00 1.00 C ATOM 983 C THR A 62 -16.811 -0.084 -10.136 1.00 1.00 C ATOM 984 O THR A 62 -15.647 -0.335 -9.892 1.00 1.00 O ATOM 985 CB THR A 62 -16.106 2.325 -10.312 1.00 1.00 C ATOM 986 OG1 THR A 62 -16.633 3.621 -10.063 1.00 1.00 O ATOM 987 CG2 THR A 62 -15.249 2.355 -11.577 1.00 1.00 C ATOM 0 H THR A 62 -17.984 2.142 -8.655 1.00 1.00 H new ATOM 0 HA THR A 62 -17.609 1.304 -11.528 1.00 1.00 H new ATOM 0 HB THR A 62 -15.491 2.013 -9.468 1.00 1.00 H new ATOM 0 HG1 THR A 62 -15.955 4.170 -9.617 1.00 1.00 H new ATOM 0 HG21 THR A 62 -14.428 3.060 -11.444 1.00 1.00 H new ATOM 0 HG22 THR A 62 -14.846 1.360 -11.767 1.00 1.00 H new ATOM 0 HG23 THR A 62 -15.861 2.666 -12.424 1.00 1.00 H new ATOM 995 N HIS A 63 -17.726 -1.016 -10.105 1.00 1.00 N ATOM 996 CA HIS A 63 -17.351 -2.420 -9.764 1.00 1.00 C ATOM 997 C HIS A 63 -16.580 -3.057 -10.923 1.00 1.00 C ATOM 998 O HIS A 63 -17.043 -3.091 -12.045 1.00 1.00 O ATOM 999 CB HIS A 63 -18.682 -3.142 -9.544 1.00 1.00 C ATOM 1000 CG HIS A 63 -18.746 -4.357 -10.427 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -18.750 -5.645 -9.913 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -18.811 -4.499 -11.791 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -18.816 -6.497 -10.952 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -18.855 -5.851 -12.121 1.00 1.00 N ATOM 0 H HIS A 63 -18.716 -0.866 -10.301 1.00 1.00 H new ATOM 0 HA HIS A 63 -16.707 -2.475 -8.886 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -18.781 -3.434 -8.498 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -19.512 -2.472 -9.768 1.00 1.00 H new ATOM 0 HD1 HIS A 63 -18.710 -5.900 -8.926 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -18.826 -3.685 -12.501 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -18.835 -7.572 -10.853 1.00 1.00 H new ATOM 1012 N GLU A 64 -15.404 -3.562 -10.661 1.00 1.00 N ATOM 1013 CA GLU A 64 -14.606 -4.193 -11.751 1.00 1.00 C ATOM 1014 C GLU A 64 -13.928 -5.469 -11.248 1.00 1.00 C ATOM 1015 O GLU A 64 -13.582 -5.582 -10.089 1.00 1.00 O ATOM 1016 CB GLU A 64 -13.554 -3.149 -12.126 1.00 1.00 C ATOM 1017 CG GLU A 64 -14.125 -2.202 -13.184 1.00 1.00 C ATOM 1018 CD GLU A 64 -14.473 -0.861 -12.536 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -13.583 -0.036 -12.416 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -15.624 -0.682 -12.172 1.00 1.00 O ATOM 0 H GLU A 64 -14.963 -3.565 -9.741 1.00 1.00 H new ATOM 0 HA GLU A 64 -15.228 -4.477 -12.600 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -13.255 -2.585 -11.242 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -12.659 -3.641 -12.508 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -13.399 -2.054 -13.984 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -15.014 -2.640 -13.637 1.00 1.00 H new ATOM 1027 N LYS A 65 -13.727 -6.426 -12.111 1.00 1.00 N ATOM 1028 CA LYS A 65 -13.063 -7.690 -11.682 1.00 1.00 C ATOM 1029 C LYS A 65 -11.579 -7.648 -12.057 1.00 1.00 C ATOM 1030 O LYS A 65 -11.225 -7.455 -13.204 1.00 1.00 O ATOM 1031 CB LYS A 65 -13.781 -8.799 -12.451 1.00 1.00 C ATOM 1032 CG LYS A 65 -15.085 -9.157 -11.735 1.00 1.00 C ATOM 1033 CD LYS A 65 -16.206 -8.237 -12.223 1.00 1.00 C ATOM 1034 CE LYS A 65 -17.102 -8.999 -13.202 1.00 1.00 C ATOM 1035 NZ LYS A 65 -18.299 -8.132 -13.381 1.00 1.00 N ATOM 0 H LYS A 65 -13.994 -6.388 -13.095 1.00 1.00 H new ATOM 0 HA LYS A 65 -13.119 -7.846 -10.605 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -13.991 -8.472 -13.469 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -13.141 -9.678 -12.524 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -15.344 -10.198 -11.929 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -14.960 -9.055 -10.657 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -16.794 -7.882 -11.377 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -15.784 -7.358 -12.709 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -16.594 -9.171 -14.151 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -17.378 -9.976 -12.806 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -18.560 -8.103 -14.387 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -19.092 -8.517 -12.829 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -18.083 -7.169 -13.052 1.00 1.00 H new ATOM 1048 N VAL A 66 -10.707 -7.820 -11.101 1.00 1.00 N ATOM 1049 CA VAL A 66 -9.248 -7.780 -11.408 1.00 1.00 C ATOM 1050 C VAL A 66 -8.740 -9.177 -11.774 1.00 1.00 C ATOM 1051 O VAL A 66 -9.003 -10.145 -11.089 1.00 1.00 O ATOM 1052 CB VAL A 66 -8.587 -7.292 -10.119 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -8.479 -5.766 -10.148 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -9.436 -7.721 -8.920 1.00 1.00 C ATOM 0 H VAL A 66 -10.941 -7.986 -10.122 1.00 1.00 H new ATOM 0 HA VAL A 66 -9.024 -7.132 -12.255 1.00 1.00 H new ATOM 0 HB VAL A 66 -7.590 -7.725 -10.033 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -8.008 -5.417 -9.229 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -7.877 -5.460 -11.003 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -9.475 -5.332 -10.232 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -8.967 -7.374 -7.999 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -10.432 -7.287 -9.006 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -9.515 -8.808 -8.900 1.00 1.00 H new ATOM 1064 N GLN A 67 -8.011 -9.286 -12.852 1.00 1.00 N ATOM 1065 CA GLN A 67 -7.481 -10.617 -13.264 1.00 1.00 C ATOM 1066 C GLN A 67 -6.074 -10.466 -13.846 1.00 1.00 C ATOM 1067 O GLN A 67 -5.716 -9.427 -14.367 1.00 1.00 O ATOM 1068 CB GLN A 67 -8.454 -11.117 -14.331 1.00 1.00 C ATOM 1069 CG GLN A 67 -9.841 -10.524 -14.076 1.00 1.00 C ATOM 1070 CD GLN A 67 -10.643 -11.469 -13.179 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -10.773 -12.640 -13.474 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -11.190 -11.007 -12.088 1.00 1.00 N ATOM 0 H GLN A 67 -7.760 -8.510 -13.465 1.00 1.00 H new ATOM 0 HA GLN A 67 -7.405 -11.311 -12.427 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -8.101 -10.831 -15.322 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -8.503 -12.206 -14.312 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -9.749 -9.547 -13.602 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -10.363 -10.372 -15.021 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -11.081 -10.024 -11.840 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -11.726 -11.629 -11.483 1.00 1.00 H new ATOM 1081 N GLY A 68 -5.273 -11.493 -13.767 1.00 1.00 N ATOM 1082 CA GLY A 68 -3.891 -11.405 -14.319 1.00 1.00 C ATOM 1083 C GLY A 68 -2.925 -10.963 -13.217 1.00 1.00 C ATOM 1084 O GLY A 68 -1.726 -10.922 -13.410 1.00 1.00 O ATOM 0 H GLY A 68 -5.515 -12.389 -13.344 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -3.586 -12.372 -14.718 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -3.864 -10.696 -15.146 1.00 1.00 H new ATOM 1088 N GLY A 69 -3.436 -10.634 -12.063 1.00 1.00 N ATOM 1089 CA GLY A 69 -2.544 -10.197 -10.951 1.00 1.00 C ATOM 1090 C GLY A 69 -2.575 -8.672 -10.837 1.00 1.00 C ATOM 1091 O GLY A 69 -1.900 -8.088 -10.012 1.00 1.00 O ATOM 0 H GLY A 69 -4.432 -10.649 -11.841 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -2.867 -10.648 -10.013 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -1.525 -10.537 -11.134 1.00 1.00 H new ATOM 1095 N PHE A 70 -3.356 -8.020 -11.655 1.00 1.00 N ATOM 1096 CA PHE A 70 -3.429 -6.533 -11.590 1.00 1.00 C ATOM 1097 C PHE A 70 -4.637 -6.102 -10.753 1.00 1.00 C ATOM 1098 O PHE A 70 -5.709 -5.862 -11.270 1.00 1.00 O ATOM 1099 CB PHE A 70 -3.592 -6.079 -13.041 1.00 1.00 C ATOM 1100 CG PHE A 70 -5.013 -6.324 -13.489 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -6.028 -5.439 -13.111 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -5.313 -7.436 -14.285 1.00 1.00 C ATOM 1103 CE1 PHE A 70 -7.346 -5.666 -13.527 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -6.630 -7.664 -14.701 1.00 1.00 C ATOM 1105 CZ PHE A 70 -7.647 -6.778 -14.322 1.00 1.00 C ATOM 0 H PHE A 70 -3.946 -8.453 -12.365 1.00 1.00 H new ATOM 0 HA PHE A 70 -2.546 -6.095 -11.125 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -3.348 -5.020 -13.131 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -2.898 -6.622 -13.683 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -5.795 -4.581 -12.498 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -4.528 -8.118 -14.578 1.00 1.00 H new ATOM 0 HE1 PHE A 70 -8.130 -4.983 -13.234 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -6.862 -8.522 -15.314 1.00 1.00 H new ATOM 0 HZ PHE A 70 -8.663 -6.953 -14.643 1.00 1.00 H new ATOM 1115 N GLY A 71 -4.471 -6.005 -9.461 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.610 -5.594 -8.593 1.00 1.00 C ATOM 1117 C GLY A 71 -6.504 -6.805 -8.322 1.00 1.00 C ATOM 1118 O GLY A 71 -7.672 -6.672 -8.008 1.00 1.00 O ATOM 0 H GLY A 71 -3.597 -6.193 -8.970 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -5.237 -5.186 -7.654 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -6.185 -4.805 -9.078 1.00 1.00 H new ATOM 1122 N LYS A 72 -5.962 -7.988 -8.431 1.00 1.00 N ATOM 1123 CA LYS A 72 -6.785 -9.204 -8.183 1.00 1.00 C ATOM 1124 C LYS A 72 -7.062 -9.333 -6.689 1.00 1.00 C ATOM 1125 O LYS A 72 -7.887 -10.116 -6.262 1.00 1.00 O ATOM 1126 CB LYS A 72 -5.930 -10.373 -8.674 1.00 1.00 C ATOM 1127 CG LYS A 72 -5.971 -11.504 -7.645 1.00 1.00 C ATOM 1128 CD LYS A 72 -5.254 -11.060 -6.369 1.00 1.00 C ATOM 1129 CE LYS A 72 -3.790 -10.748 -6.687 1.00 1.00 C ATOM 1130 NZ LYS A 72 -3.433 -9.617 -5.787 1.00 1.00 N ATOM 0 H LYS A 72 -4.989 -8.164 -8.680 1.00 1.00 H new ATOM 0 HA LYS A 72 -7.748 -9.170 -8.693 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -6.300 -10.729 -9.636 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -4.902 -10.045 -8.829 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -7.004 -11.768 -7.421 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -5.494 -12.396 -8.051 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -5.742 -10.179 -5.953 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -5.314 -11.844 -5.614 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -3.153 -11.614 -6.505 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -3.663 -10.474 -7.734 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -2.400 -9.500 -5.769 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -3.874 -8.743 -6.137 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -3.775 -9.817 -4.826 1.00 1.00 H new ATOM 1143 N TYR A 73 -6.397 -8.544 -5.894 1.00 1.00 N ATOM 1144 CA TYR A 73 -6.644 -8.593 -4.431 1.00 1.00 C ATOM 1145 C TYR A 73 -7.918 -7.808 -4.122 1.00 1.00 C ATOM 1146 O TYR A 73 -8.604 -8.069 -3.154 1.00 1.00 O ATOM 1147 CB TYR A 73 -5.425 -7.923 -3.796 1.00 1.00 C ATOM 1148 CG TYR A 73 -4.448 -8.981 -3.344 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -4.854 -10.318 -3.259 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -3.136 -8.626 -3.010 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -3.949 -11.299 -2.842 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -2.229 -9.608 -2.592 1.00 1.00 C ATOM 1153 CZ TYR A 73 -2.636 -10.945 -2.507 1.00 1.00 C ATOM 1154 OH TYR A 73 -1.744 -11.912 -2.094 1.00 1.00 O ATOM 0 H TYR A 73 -5.694 -7.869 -6.195 1.00 1.00 H new ATOM 0 HA TYR A 73 -6.778 -9.606 -4.052 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -4.948 -7.256 -4.514 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -5.733 -7.311 -2.948 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -5.867 -10.592 -3.516 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -2.823 -7.594 -3.075 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -4.263 -12.330 -2.778 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -1.216 -9.334 -2.335 1.00 1.00 H new ATOM 0 HH TYR A 73 -0.877 -11.497 -1.902 1.00 1.00 H new ATOM 1164 N GLN A 74 -8.241 -6.849 -4.951 1.00 1.00 N ATOM 1165 CA GLN A 74 -9.475 -6.048 -4.719 1.00 1.00 C ATOM 1166 C GLN A 74 -10.642 -6.643 -5.511 1.00 1.00 C ATOM 1167 O GLN A 74 -11.736 -6.803 -5.005 1.00 1.00 O ATOM 1168 CB GLN A 74 -9.137 -4.647 -5.228 1.00 1.00 C ATOM 1169 CG GLN A 74 -7.662 -4.349 -4.955 1.00 1.00 C ATOM 1170 CD GLN A 74 -7.006 -3.805 -6.225 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -6.223 -2.877 -6.169 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -7.292 -4.348 -7.377 1.00 1.00 N ATOM 0 H GLN A 74 -7.703 -6.588 -5.777 1.00 1.00 H new ATOM 0 HA GLN A 74 -9.774 -6.038 -3.671 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.342 -4.577 -6.296 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -9.766 -3.907 -4.734 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -7.571 -3.623 -4.147 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -7.151 -5.255 -4.629 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -7.949 -5.127 -7.425 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -6.858 -3.994 -8.230 1.00 1.00 H new ATOM 1181 N GLY A 75 -10.416 -6.973 -6.754 1.00 1.00 N ATOM 1182 CA GLY A 75 -11.512 -7.558 -7.573 1.00 1.00 C ATOM 1183 C GLY A 75 -12.519 -6.464 -7.916 1.00 1.00 C ATOM 1184 O GLY A 75 -12.395 -5.780 -8.911 1.00 1.00 O ATOM 0 H GLY A 75 -9.523 -6.863 -7.235 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -11.107 -7.995 -8.486 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -12.003 -8.362 -7.025 1.00 1.00 H new ATOM 1188 N THR A 76 -13.518 -6.292 -7.094 1.00 1.00 N ATOM 1189 CA THR A 76 -14.538 -5.240 -7.371 1.00 1.00 C ATOM 1190 C THR A 76 -14.261 -3.998 -6.520 1.00 1.00 C ATOM 1191 O THR A 76 -14.980 -3.700 -5.587 1.00 1.00 O ATOM 1192 CB THR A 76 -15.875 -5.872 -6.977 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.639 -6.976 -6.114 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.606 -6.350 -8.232 1.00 1.00 C ATOM 0 H THR A 76 -13.672 -6.834 -6.243 1.00 1.00 H new ATOM 0 HA THR A 76 -14.529 -4.920 -8.413 1.00 1.00 H new ATOM 0 HB THR A 76 -16.489 -5.133 -6.462 1.00 1.00 H new ATOM 0 HG1 THR A 76 -16.348 -7.642 -6.233 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.558 -6.800 -7.950 1.00 1.00 H new ATOM 0 HG22 THR A 76 -16.787 -5.502 -8.893 1.00 1.00 H new ATOM 0 HG23 THR A 76 -15.995 -7.089 -8.750 1.00 1.00 H new ATOM 1202 N TRP A 77 -13.225 -3.271 -6.836 1.00 1.00 N ATOM 1203 CA TRP A 77 -12.907 -2.048 -6.045 1.00 1.00 C ATOM 1204 C TRP A 77 -13.862 -0.914 -6.421 1.00 1.00 C ATOM 1205 O TRP A 77 -14.506 -0.945 -7.451 1.00 1.00 O ATOM 1206 CB TRP A 77 -11.471 -1.683 -6.424 1.00 1.00 C ATOM 1207 CG TRP A 77 -11.197 -2.118 -7.827 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -12.142 -2.384 -8.757 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -9.910 -2.340 -8.475 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -11.517 -2.756 -9.934 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -10.143 -2.744 -9.810 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -8.578 -2.231 -8.038 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -9.090 -3.030 -10.682 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -7.517 -2.518 -8.912 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -7.773 -2.917 -10.231 1.00 1.00 C ATOM 0 H TRP A 77 -12.586 -3.470 -7.606 1.00 1.00 H new ATOM 0 HA TRP A 77 -13.013 -2.215 -4.973 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -11.322 -0.607 -6.330 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.771 -2.163 -5.740 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -13.209 -2.317 -8.606 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -12.012 -3.008 -10.789 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -8.370 -1.925 -7.024 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -9.293 -3.336 -11.698 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -6.498 -2.431 -8.566 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -6.953 -3.137 -10.898 1.00 1.00 H new ATOM 1226 N VAL A 78 -13.955 0.090 -5.594 1.00 1.00 N ATOM 1227 CA VAL A 78 -14.863 1.230 -5.901 1.00 1.00 C ATOM 1228 C VAL A 78 -14.194 2.546 -5.500 1.00 1.00 C ATOM 1229 O VAL A 78 -13.213 2.549 -4.784 1.00 1.00 O ATOM 1230 CB VAL A 78 -16.114 0.984 -5.058 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -17.127 0.176 -5.872 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -15.733 0.201 -3.799 1.00 1.00 C ATOM 0 H VAL A 78 -13.440 0.170 -4.717 1.00 1.00 H new ATOM 0 HA VAL A 78 -15.101 1.299 -6.963 1.00 1.00 H new ATOM 0 HB VAL A 78 -16.555 1.940 -4.774 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -18.019 0.000 -5.271 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.398 0.731 -6.770 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.686 -0.780 -6.155 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -16.624 0.025 -3.197 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.293 -0.755 -4.084 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -15.010 0.775 -3.219 1.00 1.00 H new ATOM 1242 N PRO A 79 -14.751 3.625 -5.975 1.00 1.00 N ATOM 1243 CA PRO A 79 -14.199 4.963 -5.659 1.00 1.00 C ATOM 1244 C PRO A 79 -14.127 5.155 -4.142 1.00 1.00 C ATOM 1245 O PRO A 79 -15.135 5.222 -3.467 1.00 1.00 O ATOM 1246 CB PRO A 79 -15.195 5.943 -6.288 1.00 1.00 C ATOM 1247 CG PRO A 79 -16.388 5.126 -6.686 1.00 1.00 C ATOM 1248 CD PRO A 79 -15.929 3.701 -6.835 1.00 1.00 C ATOM 0 HA PRO A 79 -13.188 5.106 -6.040 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -15.475 6.722 -5.579 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -14.758 6.441 -7.153 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -17.172 5.200 -5.932 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -16.810 5.493 -7.622 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -16.700 2.997 -6.521 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -15.685 3.465 -7.871 1.00 1.00 H new ATOM 1256 N LEU A 80 -12.943 5.239 -3.601 1.00 1.00 N ATOM 1257 CA LEU A 80 -12.809 5.420 -2.127 1.00 1.00 C ATOM 1258 C LEU A 80 -13.707 6.563 -1.647 1.00 1.00 C ATOM 1259 O LEU A 80 -14.177 6.564 -0.525 1.00 1.00 O ATOM 1260 CB LEU A 80 -11.336 5.765 -1.904 1.00 1.00 C ATOM 1261 CG LEU A 80 -11.219 6.846 -0.829 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -9.939 6.625 -0.020 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -11.168 8.222 -1.496 1.00 1.00 C ATOM 0 H LEU A 80 -12.063 5.190 -4.115 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.109 4.530 -1.574 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -10.786 4.875 -1.600 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -10.889 6.114 -2.835 1.00 1.00 H new ATOM 0 HG LEU A 80 -12.082 6.794 -0.165 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -9.855 7.396 0.746 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -9.973 5.644 0.454 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -9.076 6.678 -0.683 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -11.085 8.994 -0.731 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -10.304 8.273 -2.159 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -12.079 8.380 -2.074 1.00 1.00 H new ATOM 1275 N ASN A 81 -13.960 7.530 -2.488 1.00 1.00 N ATOM 1276 CA ASN A 81 -14.838 8.663 -2.075 1.00 1.00 C ATOM 1277 C ASN A 81 -16.270 8.162 -1.880 1.00 1.00 C ATOM 1278 O ASN A 81 -16.981 8.604 -1.001 1.00 1.00 O ATOM 1279 CB ASN A 81 -14.770 9.661 -3.232 1.00 1.00 C ATOM 1280 CG ASN A 81 -13.785 10.780 -2.885 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -13.164 10.755 -1.842 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -13.618 11.767 -3.722 1.00 1.00 N ATOM 0 H ASN A 81 -13.598 7.584 -3.440 1.00 1.00 H new ATOM 0 HA ASN A 81 -14.523 9.114 -1.134 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -14.455 9.155 -4.145 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -15.758 10.079 -3.424 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -12.965 12.519 -3.500 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -14.140 11.787 -4.598 1.00 1.00 H new ATOM 1289 N ILE A 82 -16.690 7.232 -2.691 1.00 1.00 N ATOM 1290 CA ILE A 82 -18.069 6.685 -2.553 1.00 1.00 C ATOM 1291 C ILE A 82 -18.016 5.352 -1.805 1.00 1.00 C ATOM 1292 O ILE A 82 -18.899 5.018 -1.038 1.00 1.00 O ATOM 1293 CB ILE A 82 -18.562 6.482 -3.985 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -18.226 7.721 -4.820 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -20.077 6.270 -3.979 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -19.345 7.975 -5.831 1.00 1.00 C ATOM 0 H ILE A 82 -16.137 6.826 -3.445 1.00 1.00 H new ATOM 0 HA ILE A 82 -18.730 7.346 -1.992 1.00 1.00 H new ATOM 0 HB ILE A 82 -18.074 5.608 -4.416 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -18.105 8.588 -4.171 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -17.279 7.577 -5.339 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -20.428 6.125 -5.001 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -20.319 5.389 -3.384 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -20.565 7.144 -3.548 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -19.105 8.857 -6.425 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -19.445 7.111 -6.488 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -20.284 8.138 -5.301 1.00 1.00 H new ATOM 1308 N ALA A 83 -16.977 4.590 -2.018 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.855 3.284 -1.317 1.00 1.00 C ATOM 1310 C ALA A 83 -16.772 3.511 0.192 1.00 1.00 C ATOM 1311 O ALA A 83 -17.580 3.009 0.950 1.00 1.00 O ATOM 1312 CB ALA A 83 -15.555 2.671 -1.840 1.00 1.00 C ATOM 0 H ALA A 83 -16.208 4.818 -2.648 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.710 2.633 -1.498 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -15.394 1.702 -1.368 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -15.622 2.542 -2.920 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -14.721 3.332 -1.605 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.803 4.264 0.639 1.00 1.00 N ATOM 1319 CA LYS A 84 -15.676 4.519 2.102 1.00 1.00 C ATOM 1320 C LYS A 84 -16.972 5.123 2.647 1.00 1.00 C ATOM 1321 O LYS A 84 -17.325 4.927 3.791 1.00 1.00 O ATOM 1322 CB LYS A 84 -14.524 5.516 2.233 1.00 1.00 C ATOM 1323 CG LYS A 84 -14.533 6.126 3.636 1.00 1.00 C ATOM 1324 CD LYS A 84 -13.908 7.522 3.591 1.00 1.00 C ATOM 1325 CE LYS A 84 -14.590 8.352 2.501 1.00 1.00 C ATOM 1326 NZ LYS A 84 -14.025 9.722 2.652 1.00 1.00 N ATOM 0 H LYS A 84 -15.096 4.712 0.056 1.00 1.00 H new ATOM 0 HA LYS A 84 -15.489 3.605 2.665 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -13.573 5.016 2.049 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -14.622 6.301 1.483 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -15.555 6.186 4.011 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -13.977 5.489 4.324 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -14.018 8.012 4.558 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -12.839 7.447 3.391 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -14.385 7.947 1.510 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -15.673 8.355 2.626 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -14.445 10.351 1.938 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -14.242 10.084 3.603 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -12.994 9.689 2.521 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.689 5.854 1.837 1.00 1.00 N ATOM 1340 CA GLN A 85 -18.962 6.459 2.319 1.00 1.00 C ATOM 1341 C GLN A 85 -20.026 5.373 2.483 1.00 1.00 C ATOM 1342 O GLN A 85 -20.910 5.475 3.311 1.00 1.00 O ATOM 1343 CB GLN A 85 -19.368 7.453 1.231 1.00 1.00 C ATOM 1344 CG GLN A 85 -20.757 8.013 1.541 1.00 1.00 C ATOM 1345 CD GLN A 85 -21.534 8.208 0.238 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -22.029 9.284 -0.033 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -21.661 7.205 -0.587 1.00 1.00 N ATOM 0 H GLN A 85 -17.449 6.057 0.867 1.00 1.00 H new ATOM 0 HA GLN A 85 -18.850 6.946 3.288 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.642 8.264 1.176 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -19.372 6.962 0.258 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -21.296 7.332 2.199 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -20.668 8.963 2.069 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -21.245 6.302 -0.359 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -22.176 7.324 -1.459 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.942 4.331 1.704 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.942 3.233 1.821 1.00 1.00 C ATOM 1358 C LEU A 86 -20.488 2.219 2.874 1.00 1.00 C ATOM 1359 O LEU A 86 -21.278 1.714 3.646 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.986 2.589 0.437 1.00 1.00 C ATOM 1361 CG LEU A 86 -22.193 1.654 0.347 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -23.480 2.462 0.525 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -22.207 0.973 -1.024 1.00 1.00 C ATOM 0 H LEU A 86 -19.225 4.192 0.992 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.922 3.595 2.131 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -21.051 3.359 -0.332 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -20.067 2.032 0.254 1.00 1.00 H new ATOM 0 HG LEU A 86 -22.127 0.899 1.130 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -24.340 1.795 0.461 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -23.471 2.950 1.500 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -23.547 3.217 -0.258 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -23.067 0.306 -1.090 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -22.274 1.730 -1.806 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -21.290 0.398 -1.154 1.00 1.00 H new ATOM 1375 N ALA A 87 -19.217 1.919 2.911 1.00 1.00 N ATOM 1376 CA ALA A 87 -18.710 0.936 3.912 1.00 1.00 C ATOM 1377 C ALA A 87 -18.420 1.632 5.246 1.00 1.00 C ATOM 1378 O ALA A 87 -18.965 1.276 6.272 1.00 1.00 O ATOM 1379 CB ALA A 87 -17.420 0.381 3.309 1.00 1.00 C ATOM 0 H ALA A 87 -18.508 2.312 2.292 1.00 1.00 H new ATOM 0 HA ALA A 87 -19.437 0.150 4.116 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -16.986 -0.352 3.990 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -17.641 -0.097 2.354 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -16.712 1.195 3.152 1.00 1.00 H new ATOM 1385 N GLU A 88 -17.564 2.616 5.242 1.00 1.00 N ATOM 1386 CA GLU A 88 -17.235 3.327 6.505 1.00 1.00 C ATOM 1387 C GLU A 88 -18.477 3.442 7.388 1.00 1.00 C ATOM 1388 O GLU A 88 -18.383 3.573 8.592 1.00 1.00 O ATOM 1389 CB GLU A 88 -16.754 4.704 6.061 1.00 1.00 C ATOM 1390 CG GLU A 88 -17.864 5.734 6.279 1.00 1.00 C ATOM 1391 CD GLU A 88 -18.298 6.311 4.931 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -17.486 6.968 4.301 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -19.436 6.088 4.551 1.00 1.00 O ATOM 0 H GLU A 88 -17.077 2.958 4.414 1.00 1.00 H new ATOM 0 HA GLU A 88 -16.483 2.803 7.095 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -15.865 4.988 6.624 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -16.470 4.679 5.009 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -18.714 5.268 6.777 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -17.510 6.533 6.931 1.00 1.00 H new ATOM 1400 N LYS A 89 -19.641 3.377 6.804 1.00 1.00 N ATOM 1401 CA LYS A 89 -20.884 3.464 7.620 1.00 1.00 C ATOM 1402 C LYS A 89 -21.026 2.201 8.472 1.00 1.00 C ATOM 1403 O LYS A 89 -20.403 2.060 9.506 1.00 1.00 O ATOM 1404 CB LYS A 89 -22.022 3.558 6.603 1.00 1.00 C ATOM 1405 CG LYS A 89 -23.364 3.541 7.336 1.00 1.00 C ATOM 1406 CD LYS A 89 -24.498 3.771 6.335 1.00 1.00 C ATOM 1407 CE LYS A 89 -23.909 4.169 4.979 1.00 1.00 C ATOM 1408 NZ LYS A 89 -25.062 4.702 4.201 1.00 1.00 N ATOM 0 H LYS A 89 -19.785 3.268 5.800 1.00 1.00 H new ATOM 0 HA LYS A 89 -20.881 4.316 8.300 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -21.927 4.473 6.018 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -21.968 2.725 5.902 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -23.501 2.586 7.843 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -23.380 4.315 8.104 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -25.096 2.865 6.232 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -25.165 4.553 6.698 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -23.128 4.921 5.093 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -23.457 3.313 4.478 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -24.738 4.996 3.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -25.786 3.962 4.103 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -25.468 5.520 4.698 1.00 1.00 H new ATOM 1421 N PHE A 90 -21.839 1.278 8.037 1.00 1.00 N ATOM 1422 CA PHE A 90 -22.023 0.014 8.807 1.00 1.00 C ATOM 1423 C PHE A 90 -21.394 -1.159 8.048 1.00 1.00 C ATOM 1424 O PHE A 90 -21.503 -2.301 8.450 1.00 1.00 O ATOM 1425 CB PHE A 90 -23.538 -0.167 8.916 1.00 1.00 C ATOM 1426 CG PHE A 90 -24.165 1.123 9.385 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -23.354 2.188 9.793 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -25.559 1.255 9.411 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -23.936 3.385 10.228 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -26.141 2.451 9.847 1.00 1.00 C ATOM 1431 CZ PHE A 90 -25.328 3.517 10.254 1.00 1.00 C ATOM 0 H PHE A 90 -22.386 1.344 7.179 1.00 1.00 H new ATOM 0 HA PHE A 90 -21.547 0.052 9.787 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -23.951 -0.455 7.949 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -23.770 -0.972 9.614 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -22.279 2.087 9.772 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -26.185 0.434 9.095 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -23.310 4.206 10.543 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -27.216 2.552 9.870 1.00 1.00 H new ATOM 0 HZ PHE A 90 -25.776 4.441 10.588 1.00 1.00 H new ATOM 1441 N SER A 91 -20.747 -0.886 6.948 1.00 1.00 N ATOM 1442 CA SER A 91 -20.122 -1.981 6.155 1.00 1.00 C ATOM 1443 C SER A 91 -18.893 -2.539 6.877 1.00 1.00 C ATOM 1444 O SER A 91 -18.972 -3.527 7.582 1.00 1.00 O ATOM 1445 CB SER A 91 -19.716 -1.331 4.835 1.00 1.00 C ATOM 1446 OG SER A 91 -20.783 -0.518 4.364 1.00 1.00 O ATOM 0 H SER A 91 -20.624 0.051 6.564 1.00 1.00 H new ATOM 0 HA SER A 91 -20.804 -2.818 6.009 1.00 1.00 H new ATOM 0 HB2 SER A 91 -18.818 -0.728 4.974 1.00 1.00 H new ATOM 0 HB3 SER A 91 -19.475 -2.097 4.098 1.00 1.00 H new ATOM 0 HG SER A 91 -20.663 0.399 4.688 1.00 1.00 H new ATOM 1452 N VAL A 92 -17.757 -1.915 6.715 1.00 1.00 N ATOM 1453 CA VAL A 92 -16.527 -2.407 7.399 1.00 1.00 C ATOM 1454 C VAL A 92 -15.979 -1.319 8.326 1.00 1.00 C ATOM 1455 O VAL A 92 -14.877 -1.413 8.830 1.00 1.00 O ATOM 1456 CB VAL A 92 -15.538 -2.712 6.274 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -14.150 -2.962 6.869 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -15.998 -3.959 5.516 1.00 1.00 C ATOM 0 H VAL A 92 -17.628 -1.084 6.137 1.00 1.00 H new ATOM 0 HA VAL A 92 -16.715 -3.286 8.015 1.00 1.00 H new ATOM 0 HB VAL A 92 -15.494 -1.865 5.590 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -13.444 -3.180 6.067 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -13.821 -2.075 7.411 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -14.195 -3.809 7.553 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -15.294 -4.177 4.713 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -16.042 -4.806 6.201 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -16.987 -3.783 5.093 1.00 1.00 H new ATOM 1468 N TYR A 93 -16.745 -0.288 8.558 1.00 1.00 N ATOM 1469 CA TYR A 93 -16.280 0.807 9.457 1.00 1.00 C ATOM 1470 C TYR A 93 -15.525 0.220 10.651 1.00 1.00 C ATOM 1471 O TYR A 93 -14.654 0.848 11.219 1.00 1.00 O ATOM 1472 CB TYR A 93 -17.556 1.509 9.922 1.00 1.00 C ATOM 1473 CG TYR A 93 -17.356 2.041 11.321 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -16.818 1.215 12.316 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -17.706 3.362 11.624 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -16.632 1.709 13.612 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -17.521 3.857 12.920 1.00 1.00 C ATOM 1478 CZ TYR A 93 -16.983 3.031 13.915 1.00 1.00 C ATOM 1479 OH TYR A 93 -16.799 3.518 15.192 1.00 1.00 O ATOM 0 H TYR A 93 -17.676 -0.156 8.162 1.00 1.00 H new ATOM 0 HA TYR A 93 -15.599 1.494 8.955 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -17.803 2.325 9.243 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -18.395 0.813 9.902 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -16.546 0.196 12.083 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -18.119 4.000 10.857 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -16.218 1.071 14.379 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -17.793 4.876 13.153 1.00 1.00 H new ATOM 0 HH TYR A 93 -17.093 4.452 15.231 1.00 1.00 H new ATOM 1489 N ASP A 94 -15.851 -0.984 11.027 1.00 1.00 N ATOM 1490 CA ASP A 94 -15.153 -1.622 12.179 1.00 1.00 C ATOM 1491 C ASP A 94 -13.930 -2.399 11.683 1.00 1.00 C ATOM 1492 O ASP A 94 -12.812 -2.141 12.084 1.00 1.00 O ATOM 1493 CB ASP A 94 -16.182 -2.572 12.792 1.00 1.00 C ATOM 1494 CG ASP A 94 -17.158 -1.776 13.659 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -18.104 -1.235 13.111 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -16.943 -1.720 14.860 1.00 1.00 O ATOM 0 H ASP A 94 -16.572 -1.556 10.586 1.00 1.00 H new ATOM 0 HA ASP A 94 -14.795 -0.891 12.905 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -16.723 -3.096 12.004 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -15.680 -3.330 13.393 1.00 1.00 H new ATOM 1501 N GLN A 95 -14.136 -3.350 10.814 1.00 1.00 N ATOM 1502 CA GLN A 95 -12.989 -4.147 10.291 1.00 1.00 C ATOM 1503 C GLN A 95 -11.927 -3.226 9.683 1.00 1.00 C ATOM 1504 O GLN A 95 -10.773 -3.262 10.061 1.00 1.00 O ATOM 1505 CB GLN A 95 -13.592 -5.049 9.216 1.00 1.00 C ATOM 1506 CG GLN A 95 -13.289 -6.512 9.547 1.00 1.00 C ATOM 1507 CD GLN A 95 -14.601 -7.271 9.756 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -14.666 -8.465 9.544 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -15.657 -6.622 10.166 1.00 1.00 N ATOM 0 H GLN A 95 -15.050 -3.610 10.443 1.00 1.00 H new ATOM 0 HA GLN A 95 -12.496 -4.718 11.077 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -14.669 -4.894 9.159 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -13.181 -4.793 8.239 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -12.718 -6.968 8.738 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -12.674 -6.573 10.445 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -15.602 -5.619 10.344 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -16.537 -7.118 10.308 1.00 1.00 H new ATOM 1518 N LEU A 96 -12.303 -2.406 8.740 1.00 1.00 N ATOM 1519 CA LEU A 96 -11.306 -1.494 8.108 1.00 1.00 C ATOM 1520 C LEU A 96 -10.947 -0.349 9.059 1.00 1.00 C ATOM 1521 O LEU A 96 -10.636 0.745 8.632 1.00 1.00 O ATOM 1522 CB LEU A 96 -11.993 -0.954 6.854 1.00 1.00 C ATOM 1523 CG LEU A 96 -13.345 -0.345 7.230 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -13.217 1.178 7.303 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -14.383 -0.717 6.169 1.00 1.00 C ATOM 0 H LEU A 96 -13.254 -2.328 8.380 1.00 1.00 H new ATOM 0 HA LEU A 96 -10.375 -2.010 7.872 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -11.364 -0.202 6.378 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -12.133 -1.757 6.130 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.660 -0.730 8.200 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -14.180 1.612 7.571 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -12.477 1.445 8.057 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -12.903 1.564 6.333 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -15.347 -0.284 6.436 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -14.067 -0.331 5.200 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -14.475 -1.802 6.115 1.00 1.00 H new ATOM 1537 N LYS A 97 -10.978 -0.589 10.340 1.00 1.00 N ATOM 1538 CA LYS A 97 -10.625 0.495 11.302 1.00 1.00 C ATOM 1539 C LYS A 97 -9.233 1.039 10.974 1.00 1.00 C ATOM 1540 O LYS A 97 -9.071 2.210 10.689 1.00 1.00 O ATOM 1541 CB LYS A 97 -10.632 -0.175 12.677 1.00 1.00 C ATOM 1542 CG LYS A 97 -11.965 0.105 13.373 1.00 1.00 C ATOM 1543 CD LYS A 97 -12.118 1.612 13.595 1.00 1.00 C ATOM 1544 CE LYS A 97 -10.782 2.198 14.057 1.00 1.00 C ATOM 1545 NZ LYS A 97 -11.022 3.664 14.163 1.00 1.00 N ATOM 0 H LYS A 97 -11.231 -1.483 10.762 1.00 1.00 H new ATOM 0 HA LYS A 97 -11.319 1.335 11.261 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -10.484 -1.250 12.571 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -9.807 0.202 13.282 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -12.790 -0.270 12.767 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -12.007 -0.420 14.327 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -12.440 2.095 12.673 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -12.889 1.804 14.341 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -10.477 1.778 15.015 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -9.987 1.978 13.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -10.150 4.137 14.475 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -11.305 4.038 13.234 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -11.779 3.843 14.853 1.00 1.00 H new ATOM 1558 N PRO A 98 -8.271 0.158 11.016 1.00 1.00 N ATOM 1559 CA PRO A 98 -6.872 0.541 10.709 1.00 1.00 C ATOM 1560 C PRO A 98 -6.782 1.077 9.278 1.00 1.00 C ATOM 1561 O PRO A 98 -6.321 2.178 9.045 1.00 1.00 O ATOM 1562 CB PRO A 98 -6.084 -0.763 10.849 1.00 1.00 C ATOM 1563 CG PRO A 98 -6.980 -1.700 11.600 1.00 1.00 C ATOM 1564 CD PRO A 98 -8.397 -1.261 11.350 1.00 1.00 C ATOM 0 HA PRO A 98 -6.491 1.324 11.364 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -5.823 -1.170 9.872 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -5.150 -0.600 11.386 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -6.831 -2.726 11.264 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -6.753 -1.677 12.666 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -8.852 -1.824 10.535 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -9.023 -1.411 12.230 1.00 1.00 H new ATOM 1572 N LEU A 99 -7.226 0.311 8.319 1.00 1.00 N ATOM 1573 CA LEU A 99 -7.171 0.783 6.905 1.00 1.00 C ATOM 1574 C LEU A 99 -7.746 2.197 6.809 1.00 1.00 C ATOM 1575 O LEU A 99 -7.289 3.013 6.034 1.00 1.00 O ATOM 1576 CB LEU A 99 -8.037 -0.206 6.124 1.00 1.00 C ATOM 1577 CG LEU A 99 -8.290 0.338 4.717 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -9.337 1.451 4.781 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -6.984 0.898 4.146 1.00 1.00 C ATOM 0 H LEU A 99 -7.624 -0.619 8.452 1.00 1.00 H new ATOM 0 HA LEU A 99 -6.154 0.823 6.516 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -7.540 -1.175 6.067 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -8.984 -0.363 6.640 1.00 1.00 H new ATOM 0 HG LEU A 99 -8.653 -0.465 4.076 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -9.517 1.839 3.778 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -10.266 1.053 5.189 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -8.974 2.255 5.421 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -7.162 1.286 3.143 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -6.622 1.702 4.787 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -6.237 0.105 4.101 1.00 1.00 H new ATOM 1591 N PHE A 100 -8.743 2.494 7.598 1.00 1.00 N ATOM 1592 CA PHE A 100 -9.345 3.857 7.561 1.00 1.00 C ATOM 1593 C PHE A 100 -8.368 4.871 8.161 1.00 1.00 C ATOM 1594 O PHE A 100 -8.196 5.961 7.651 1.00 1.00 O ATOM 1595 CB PHE A 100 -10.608 3.756 8.415 1.00 1.00 C ATOM 1596 CG PHE A 100 -11.812 3.597 7.518 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -11.643 3.489 6.132 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -13.097 3.556 8.072 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -12.760 3.340 5.301 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -14.213 3.407 7.241 1.00 1.00 C ATOM 1601 CZ PHE A 100 -14.045 3.299 5.855 1.00 1.00 C ATOM 0 H PHE A 100 -9.167 1.851 8.267 1.00 1.00 H new ATOM 0 HA PHE A 100 -9.569 4.188 6.547 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -10.533 2.907 9.095 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -10.716 4.649 9.031 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -10.652 3.521 5.704 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -13.227 3.639 9.141 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -12.630 3.257 4.232 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -15.204 3.375 7.669 1.00 1.00 H new ATOM 0 HZ PHE A 100 -14.906 3.184 5.214 1.00 1.00 H new ATOM 1611 N ASP A 101 -7.724 4.517 9.239 1.00 1.00 N ATOM 1612 CA ASP A 101 -6.753 5.456 9.870 1.00 1.00 C ATOM 1613 C ASP A 101 -5.405 5.375 9.150 1.00 1.00 C ATOM 1614 O ASP A 101 -4.750 6.372 8.927 1.00 1.00 O ATOM 1615 CB ASP A 101 -6.620 4.976 11.316 1.00 1.00 C ATOM 1616 CG ASP A 101 -8.007 4.665 11.881 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -8.847 5.549 11.857 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -8.207 3.546 12.327 1.00 1.00 O ATOM 0 H ASP A 101 -7.828 3.618 9.710 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.083 6.494 9.816 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -5.991 4.087 11.359 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -6.133 5.741 11.921 1.00 1.00 H new ATOM 1805 N LYS A 116 10.999 0.661 4.915 1.00 1.00 N ATOM 1806 CA LYS A 116 12.191 0.506 4.034 1.00 1.00 C ATOM 1807 C LYS A 116 13.416 0.117 4.866 1.00 1.00 C ATOM 1808 O LYS A 116 13.624 0.617 5.954 1.00 1.00 O ATOM 1809 CB LYS A 116 12.393 1.879 3.393 1.00 1.00 C ATOM 1810 CG LYS A 116 13.887 2.133 3.186 1.00 1.00 C ATOM 1811 CD LYS A 116 14.079 3.389 2.333 1.00 1.00 C ATOM 1812 CE LYS A 116 14.273 2.987 0.869 1.00 1.00 C ATOM 1813 NZ LYS A 116 15.748 2.926 0.679 1.00 1.00 N ATOM 0 HA LYS A 116 12.053 -0.275 3.287 1.00 1.00 H new ATOM 0 HB2 LYS A 116 11.870 1.926 2.438 1.00 1.00 H new ATOM 0 HB3 LYS A 116 11.966 2.655 4.029 1.00 1.00 H new ATOM 0 HG2 LYS A 116 14.383 2.256 4.149 1.00 1.00 H new ATOM 0 HG3 LYS A 116 14.348 1.275 2.697 1.00 1.00 H new ATOM 0 HD2 LYS A 116 13.213 4.043 2.430 1.00 1.00 H new ATOM 0 HD3 LYS A 116 14.944 3.951 2.684 1.00 1.00 H new ATOM 0 HE2 LYS A 116 13.808 2.024 0.659 1.00 1.00 H new ATOM 0 HE3 LYS A 116 13.818 3.714 0.196 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 15.961 2.511 -0.251 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 16.144 3.886 0.729 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 16.170 2.338 1.426 1.00 1.00 H new ATOM 1826 N HIS A 117 14.230 -0.770 4.362 1.00 1.00 N ATOM 1827 CA HIS A 117 15.441 -1.189 5.125 1.00 1.00 C ATOM 1828 C HIS A 117 16.622 -0.275 4.787 1.00 1.00 C ATOM 1829 O HIS A 117 16.713 0.263 3.701 1.00 1.00 O ATOM 1830 CB HIS A 117 15.723 -2.620 4.668 1.00 1.00 C ATOM 1831 CG HIS A 117 14.786 -3.565 5.371 1.00 1.00 C ATOM 1832 ND1 HIS A 117 15.243 -4.654 6.097 1.00 1.00 N ATOM 1833 CD2 HIS A 117 13.417 -3.598 5.467 1.00 1.00 C ATOM 1834 CE1 HIS A 117 14.166 -5.290 6.594 1.00 1.00 C ATOM 1835 NE2 HIS A 117 13.028 -4.687 6.240 1.00 1.00 N ATOM 0 H HIS A 117 14.109 -1.223 3.456 1.00 1.00 H new ATOM 0 HA HIS A 117 15.291 -1.128 6.203 1.00 1.00 H new ATOM 0 HB2 HIS A 117 15.595 -2.700 3.588 1.00 1.00 H new ATOM 0 HB3 HIS A 117 16.757 -2.886 4.887 1.00 1.00 H new ATOM 0 HD2 HIS A 117 12.744 -2.886 5.012 1.00 1.00 H new ATOM 0 HE1 HIS A 117 14.216 -6.179 7.205 1.00 1.00 H new ATOM 0 HE2 HIS A 117 12.078 -4.965 6.484 1.00 1.00 H new ATOM 1843 N HIS A 118 17.529 -0.094 5.709 1.00 1.00 N ATOM 1844 CA HIS A 118 18.703 0.786 5.438 1.00 1.00 C ATOM 1845 C HIS A 118 19.354 0.404 4.106 1.00 1.00 C ATOM 1846 O HIS A 118 19.758 -0.724 3.902 1.00 1.00 O ATOM 1847 CB HIS A 118 19.665 0.529 6.599 1.00 1.00 C ATOM 1848 CG HIS A 118 19.022 0.963 7.887 1.00 1.00 C ATOM 1849 ND1 HIS A 118 19.280 0.327 9.093 1.00 1.00 N ATOM 1850 CD2 HIS A 118 18.129 1.965 8.176 1.00 1.00 C ATOM 1851 CE1 HIS A 118 18.557 0.949 10.042 1.00 1.00 C ATOM 1852 NE2 HIS A 118 17.836 1.955 9.536 1.00 1.00 N ATOM 0 H HIS A 118 17.508 -0.517 6.637 1.00 1.00 H new ATOM 0 HA HIS A 118 18.424 1.837 5.364 1.00 1.00 H new ATOM 0 HB2 HIS A 118 19.921 -0.530 6.646 1.00 1.00 H new ATOM 0 HB3 HIS A 118 20.595 1.075 6.442 1.00 1.00 H new ATOM 0 HD2 HIS A 118 17.716 2.656 7.456 1.00 1.00 H new ATOM 0 HE1 HIS A 118 18.559 0.670 11.085 1.00 1.00 H new ATOM 0 HE2 HIS A 118 17.207 2.581 10.039 1.00 1.00 H new ATOM 1860 N HIS A 119 19.458 1.336 3.198 1.00 1.00 N ATOM 1861 CA HIS A 119 20.082 1.025 1.879 1.00 1.00 C ATOM 1862 C HIS A 119 21.528 1.527 1.846 1.00 1.00 C ATOM 1863 O HIS A 119 21.788 2.687 1.599 1.00 1.00 O ATOM 1864 CB HIS A 119 19.232 1.774 0.853 1.00 1.00 C ATOM 1865 CG HIS A 119 19.552 1.272 -0.527 1.00 1.00 C ATOM 1866 ND1 HIS A 119 19.803 -0.067 -0.786 1.00 1.00 N ATOM 1867 CD2 HIS A 119 19.667 1.915 -1.735 1.00 1.00 C ATOM 1868 CE1 HIS A 119 20.054 -0.185 -2.103 1.00 1.00 C ATOM 1869 NE2 HIS A 119 19.984 0.993 -2.728 1.00 1.00 N ATOM 0 H HIS A 119 19.139 2.298 3.312 1.00 1.00 H new ATOM 0 HA HIS A 119 20.113 -0.046 1.679 1.00 1.00 H new ATOM 0 HB2 HIS A 119 18.173 1.629 1.067 1.00 1.00 H new ATOM 0 HB3 HIS A 119 19.427 2.845 0.916 1.00 1.00 H new ATOM 0 HD2 HIS A 119 19.532 2.975 -1.891 1.00 1.00 H new ATOM 0 HE1 HIS A 119 20.284 -1.119 -2.595 1.00 1.00 H new ATOM 0 HE2 HIS A 119 20.131 1.177 -3.720 1.00 1.00 H new ATOM 1877 N ALA A 120 22.472 0.659 2.093 1.00 1.00 N ATOM 1878 CA ALA A 120 23.901 1.086 2.074 1.00 1.00 C ATOM 1879 C ALA A 120 24.178 1.954 0.844 1.00 1.00 C ATOM 1880 O ALA A 120 23.369 2.043 -0.059 1.00 1.00 O ATOM 1881 CB ALA A 120 24.702 -0.215 2.005 1.00 1.00 C ATOM 0 H ALA A 120 22.316 -0.326 2.307 1.00 1.00 H new ATOM 0 HA ALA A 120 24.166 1.682 2.948 1.00 1.00 H new ATOM 0 HB1 ALA A 120 25.767 0.014 1.987 1.00 1.00 H new ATOM 0 HB2 ALA A 120 24.477 -0.828 2.878 1.00 1.00 H new ATOM 0 HB3 ALA A 120 24.433 -0.760 1.100 1.00 1.00 H new ATOM 1887 N SER A 121 25.314 2.594 0.799 1.00 1.00 N ATOM 1888 CA SER A 121 25.643 3.453 -0.372 1.00 1.00 C ATOM 1889 C SER A 121 26.777 2.819 -1.181 1.00 1.00 C ATOM 1890 O SER A 121 27.649 2.171 -0.639 1.00 1.00 O ATOM 1891 CB SER A 121 26.091 4.786 0.226 1.00 1.00 C ATOM 1892 OG SER A 121 25.999 5.801 -0.764 1.00 1.00 O ATOM 0 H SER A 121 26.030 2.559 1.525 1.00 1.00 H new ATOM 0 HA SER A 121 24.797 3.577 -1.048 1.00 1.00 H new ATOM 0 HB2 SER A 121 25.468 5.041 1.083 1.00 1.00 H new ATOM 0 HB3 SER A 121 27.116 4.708 0.589 1.00 1.00 H new ATOM 0 HG SER A 121 26.284 6.657 -0.382 1.00 1.00 H new ATOM 1898 N LYS A 122 26.774 2.999 -2.472 1.00 1.00 N ATOM 1899 CA LYS A 122 27.855 2.401 -3.307 1.00 1.00 C ATOM 1900 C LYS A 122 29.094 3.301 -3.293 1.00 1.00 C ATOM 1901 O LYS A 122 29.015 4.479 -3.007 1.00 1.00 O ATOM 1902 CB LYS A 122 27.268 2.318 -4.717 1.00 1.00 C ATOM 1903 CG LYS A 122 28.369 2.584 -5.746 1.00 1.00 C ATOM 1904 CD LYS A 122 27.883 2.162 -7.133 1.00 1.00 C ATOM 1905 CE LYS A 122 28.542 0.838 -7.526 1.00 1.00 C ATOM 1906 NZ LYS A 122 27.462 0.049 -8.179 1.00 1.00 N ATOM 0 H LYS A 122 26.072 3.533 -2.985 1.00 1.00 H new ATOM 0 HA LYS A 122 28.168 1.424 -2.938 1.00 1.00 H new ATOM 0 HB2 LYS A 122 26.831 1.333 -4.883 1.00 1.00 H new ATOM 0 HB3 LYS A 122 26.465 3.046 -4.831 1.00 1.00 H new ATOM 0 HG2 LYS A 122 28.632 3.642 -5.747 1.00 1.00 H new ATOM 0 HG3 LYS A 122 29.270 2.031 -5.481 1.00 1.00 H new ATOM 0 HD2 LYS A 122 26.798 2.054 -7.132 1.00 1.00 H new ATOM 0 HD3 LYS A 122 28.126 2.932 -7.865 1.00 1.00 H new ATOM 0 HE2 LYS A 122 29.379 1.000 -8.206 1.00 1.00 H new ATOM 0 HE3 LYS A 122 28.937 0.319 -6.653 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 27.838 -0.874 -8.477 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 26.682 -0.095 -7.506 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 27.110 0.564 -9.011 1.00 1.00 H new ATOM 1919 N VAL A 123 30.238 2.754 -3.599 1.00 1.00 N ATOM 1920 CA VAL A 123 31.482 3.578 -3.603 1.00 1.00 C ATOM 1921 C VAL A 123 31.405 4.647 -4.696 1.00 1.00 C ATOM 1922 O VAL A 123 31.251 4.346 -5.863 1.00 1.00 O ATOM 1923 CB VAL A 123 32.611 2.592 -3.898 1.00 1.00 C ATOM 1924 CG1 VAL A 123 32.844 2.518 -5.408 1.00 1.00 C ATOM 1925 CG2 VAL A 123 33.893 3.063 -3.207 1.00 1.00 C ATOM 0 H VAL A 123 30.366 1.773 -3.846 1.00 1.00 H new ATOM 0 HA VAL A 123 31.633 4.100 -2.658 1.00 1.00 H new ATOM 0 HB VAL A 123 32.337 1.605 -3.524 1.00 1.00 H new ATOM 0 HG11 VAL A 123 33.650 1.814 -5.618 1.00 1.00 H new ATOM 0 HG12 VAL A 123 31.932 2.182 -5.901 1.00 1.00 H new ATOM 0 HG13 VAL A 123 33.117 3.504 -5.783 1.00 1.00 H new ATOM 0 HG21 VAL A 123 34.699 2.360 -3.417 1.00 1.00 H new ATOM 0 HG22 VAL A 123 34.166 4.050 -3.580 1.00 1.00 H new ATOM 0 HG23 VAL A 123 33.728 3.115 -2.131 1.00 1.00 H new ATOM 1935 N ASP A 124 31.510 5.895 -4.327 1.00 1.00 N ATOM 1936 CA ASP A 124 31.442 6.982 -5.347 1.00 1.00 C ATOM 1937 C ASP A 124 32.838 7.271 -5.904 1.00 1.00 C ATOM 1938 O ASP A 124 33.770 7.321 -5.119 1.00 1.00 O ATOM 1939 CB ASP A 124 30.904 8.199 -4.594 1.00 1.00 C ATOM 1940 CG ASP A 124 29.376 8.129 -4.536 1.00 1.00 C ATOM 1941 OD1 ASP A 124 28.849 7.033 -4.629 1.00 1.00 O ATOM 1942 OD2 ASP A 124 28.760 9.174 -4.398 1.00 1.00 O ATOM 0 H ASP A 124 31.640 6.209 -3.365 1.00 1.00 H new ATOM 0 HA ASP A 124 30.810 6.715 -6.194 1.00 1.00 H new ATOM 0 HB2 ASP A 124 31.316 8.227 -3.585 1.00 1.00 H new ATOM 0 HB3 ASP A 124 31.218 9.116 -5.092 1.00 1.00 H new