USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 899 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 110 TYR OH : rot 165:sc= 0.69 USER MOD Set 1.2: A 114 LYS NZ :NH3+ 146:sc= 0.637 (180deg=-2.11!) USER MOD Set 2.1: A 44 CYS SG : rot 73:sc= -0.301 USER MOD Set 2.2: A 68 ASN : amide:sc= -3.52! C(o=-3.8!,f=-6.1!) USER MOD Set 3.1: A 31 THR OG1 : rot -6:sc= 0.161 USER MOD Set 3.2: A 36 SER OG : rot 70:sc= 1.47 USER MOD Set 4.1: A 25 TYR OH : rot -141:sc= 0.165 USER MOD Set 4.2: A 48 HIS : no HD1:sc= -4.15! C(o=-4!,f=-6.3!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.066 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 35:sc= 0.96 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -145:sc= 1.17 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0317 F(o=-0.54,f=-0.032) USER MOD Single : A 21 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.68) USER MOD Single : A 22 THR OG1 : rot -88:sc= 1.12 USER MOD Single : A 29 ASN : amide:sc= -0.0478 X(o=-0.048,f=-0.1) USER MOD Single : A 34 THR OG1 : rot -85:sc= 1.36 USER MOD Single : A 35 MET CE :methyl 171:sc= 0 (180deg=-0.052) USER MOD Single : A 38 LYS NZ :NH3+ -131:sc= -1.41 (180deg=-3.85!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 40:sc= 0.187 USER MOD Single : A 59 SER OG : rot -52:sc= 0.561 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 64 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.29) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.0255! K(o=0.026!,f=-1.8) USER MOD Single : A 70 GLN : amide:sc= 0.449 X(o=0.45,f=-0.019) USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= -0.115 (180deg=-0.59) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -176:sc= -0.0534 (180deg=-0.126) USER MOD Single : A 87 THR OG1 : rot -86:sc= 0.734 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -170:sc= 0 (180deg=-0.0106) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= -0.495 USER MOD Single : A 102 MET CE :methyl -158:sc= -0.2 (180deg=-0.985) USER MOD Single : A 104 MET CE :methyl -129:sc= 0 (180deg=-0.261) USER MOD Single : A 105 TYR OH : rot -107:sc= 0.126 USER MOD Single : A 107 THR OG1 : rot 86:sc= 1.07 USER MOD Single : A 108 GLN :FLIP amide:sc= -5.76! C(o=-7!,f=-5.8!) USER MOD Single : A 112 MET CE :methyl -140:sc= -0.0477 (180deg=-0.621) USER MOD Single : A 116 SER OG : rot 150:sc= -0.0646 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.278 -0.986 -15.380 1.00 0.00 N ATOM 2 CA GLY A 1 18.965 0.099 -16.292 1.00 0.00 C ATOM 3 C GLY A 1 17.494 0.143 -16.657 1.00 0.00 C ATOM 4 O GLY A 1 16.662 -0.464 -15.983 1.00 0.00 O ATOM 0 H1 GLY A 1 19.722 -0.601 -14.522 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.403 -1.486 -15.123 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.933 -1.649 -15.841 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.252 1.047 -15.836 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.558 -0.011 -17.200 1.00 0.00 H new ATOM 8 N SER A 2 17.173 0.864 -17.726 1.00 0.00 N ATOM 9 CA SER A 2 15.792 0.989 -18.177 1.00 0.00 C ATOM 10 C SER A 2 15.349 -0.263 -18.928 1.00 0.00 C ATOM 11 O SER A 2 14.416 -0.951 -18.514 1.00 0.00 O ATOM 12 CB SER A 2 15.635 2.218 -19.074 1.00 0.00 C ATOM 13 OG SER A 2 14.333 2.281 -19.630 1.00 0.00 O ATOM 0 H SER A 2 17.850 1.371 -18.296 1.00 0.00 H new ATOM 0 HA SER A 2 15.159 1.107 -17.298 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.831 3.121 -18.496 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.374 2.185 -19.874 1.00 0.00 H new ATOM 0 HG SER A 2 14.258 3.076 -20.198 1.00 0.00 H new ATOM 19 N SER A 3 16.026 -0.551 -20.035 1.00 0.00 N ATOM 20 CA SER A 3 15.702 -1.718 -20.847 1.00 0.00 C ATOM 21 C SER A 3 16.413 -2.961 -20.321 1.00 0.00 C ATOM 22 O SER A 3 17.518 -2.879 -19.788 1.00 0.00 O ATOM 23 CB SER A 3 16.091 -1.474 -22.306 1.00 0.00 C ATOM 24 OG SER A 3 17.499 -1.423 -22.457 1.00 0.00 O ATOM 0 H SER A 3 16.802 0.008 -20.390 1.00 0.00 H new ATOM 0 HA SER A 3 14.626 -1.884 -20.787 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.684 -2.268 -22.932 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.651 -0.538 -22.651 1.00 0.00 H new ATOM 0 HG SER A 3 17.722 -1.268 -23.399 1.00 0.00 H new ATOM 30 N GLY A 4 15.768 -4.114 -20.475 1.00 0.00 N ATOM 31 CA GLY A 4 16.352 -5.359 -20.010 1.00 0.00 C ATOM 32 C GLY A 4 15.559 -6.572 -20.454 1.00 0.00 C ATOM 33 O GLY A 4 14.828 -6.517 -21.443 1.00 0.00 O ATOM 0 H GLY A 4 14.852 -4.208 -20.913 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.373 -5.440 -20.383 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.410 -5.345 -18.922 1.00 0.00 H new ATOM 37 N SER A 5 15.705 -7.672 -19.722 1.00 0.00 N ATOM 38 CA SER A 5 15.001 -8.907 -20.049 1.00 0.00 C ATOM 39 C SER A 5 13.813 -9.118 -19.115 1.00 0.00 C ATOM 40 O SER A 5 13.984 -9.396 -17.928 1.00 0.00 O ATOM 41 CB SER A 5 15.953 -10.101 -19.960 1.00 0.00 C ATOM 42 OG SER A 5 15.248 -11.325 -20.074 1.00 0.00 O ATOM 0 H SER A 5 16.304 -7.733 -18.899 1.00 0.00 H new ATOM 0 HA SER A 5 14.628 -8.825 -21.070 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.701 -10.034 -20.750 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.489 -10.073 -19.011 1.00 0.00 H new ATOM 0 HG SER A 5 15.879 -12.073 -20.016 1.00 0.00 H new ATOM 48 N SER A 6 12.608 -8.985 -19.661 1.00 0.00 N ATOM 49 CA SER A 6 11.391 -9.157 -18.877 1.00 0.00 C ATOM 50 C SER A 6 11.201 -10.619 -18.483 1.00 0.00 C ATOM 51 O SER A 6 11.712 -11.523 -19.142 1.00 0.00 O ATOM 52 CB SER A 6 10.176 -8.669 -19.669 1.00 0.00 C ATOM 53 OG SER A 6 10.122 -7.253 -19.698 1.00 0.00 O ATOM 0 H SER A 6 12.449 -8.759 -20.643 1.00 0.00 H new ATOM 0 HA SER A 6 11.486 -8.563 -17.968 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.222 -9.055 -20.687 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.264 -9.062 -19.220 1.00 0.00 H new ATOM 0 HG SER A 6 9.338 -6.966 -20.211 1.00 0.00 H new ATOM 59 N GLY A 7 10.461 -10.842 -17.401 1.00 0.00 N ATOM 60 CA GLY A 7 10.216 -12.195 -16.936 1.00 0.00 C ATOM 61 C GLY A 7 10.737 -12.428 -15.532 1.00 0.00 C ATOM 62 O GLY A 7 11.869 -12.877 -15.348 1.00 0.00 O ATOM 0 H GLY A 7 10.027 -10.110 -16.838 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.145 -12.396 -16.961 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.689 -12.902 -17.618 1.00 0.00 H new ATOM 66 N VAL A 8 9.910 -12.122 -14.537 1.00 0.00 N ATOM 67 CA VAL A 8 10.294 -12.301 -13.142 1.00 0.00 C ATOM 68 C VAL A 8 9.222 -13.062 -12.370 1.00 0.00 C ATOM 69 O VAL A 8 8.028 -12.808 -12.532 1.00 0.00 O ATOM 70 CB VAL A 8 10.545 -10.947 -12.451 1.00 0.00 C ATOM 71 CG1 VAL A 8 9.270 -10.118 -12.421 1.00 0.00 C ATOM 72 CG2 VAL A 8 11.085 -11.159 -11.045 1.00 0.00 C ATOM 0 H VAL A 8 8.970 -11.749 -14.671 1.00 0.00 H new ATOM 0 HA VAL A 8 11.218 -12.879 -13.140 1.00 0.00 H new ATOM 0 HB VAL A 8 11.293 -10.399 -13.025 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.467 -9.165 -11.929 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.930 -9.937 -13.441 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.498 -10.657 -11.872 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.257 -10.192 -10.572 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.362 -11.727 -10.459 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.024 -11.710 -11.095 1.00 0.00 H new ATOM 82 N ALA A 9 9.655 -13.995 -11.530 1.00 0.00 N ATOM 83 CA ALA A 9 8.733 -14.792 -10.730 1.00 0.00 C ATOM 84 C ALA A 9 8.899 -14.498 -9.243 1.00 0.00 C ATOM 85 O ALA A 9 8.006 -14.772 -8.443 1.00 0.00 O ATOM 86 CB ALA A 9 8.941 -16.274 -11.004 1.00 0.00 C ATOM 0 H ALA A 9 10.640 -14.218 -11.385 1.00 0.00 H new ATOM 0 HA ALA A 9 7.717 -14.520 -11.015 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.246 -16.857 -10.400 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.763 -16.477 -12.060 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.964 -16.551 -10.749 1.00 0.00 H new ATOM 92 N ARG A 10 10.049 -13.938 -8.881 1.00 0.00 N ATOM 93 CA ARG A 10 10.333 -13.609 -7.489 1.00 0.00 C ATOM 94 C ARG A 10 9.641 -12.310 -7.086 1.00 0.00 C ATOM 95 O ARG A 10 8.969 -11.675 -7.898 1.00 0.00 O ATOM 96 CB ARG A 10 11.842 -13.484 -7.271 1.00 0.00 C ATOM 97 CG ARG A 10 12.529 -14.811 -6.991 1.00 0.00 C ATOM 98 CD ARG A 10 12.821 -15.569 -8.276 1.00 0.00 C ATOM 99 NE ARG A 10 13.183 -16.961 -8.021 1.00 0.00 N ATOM 100 CZ ARG A 10 14.393 -17.347 -7.633 1.00 0.00 C ATOM 101 NH1 ARG A 10 15.353 -16.450 -7.456 1.00 0.00 N ATOM 102 NH2 ARG A 10 14.645 -18.632 -7.421 1.00 0.00 N ATOM 0 H ARG A 10 10.798 -13.703 -9.532 1.00 0.00 H new ATOM 0 HA ARG A 10 9.948 -14.415 -6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.292 -13.031 -8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 10 12.025 -12.807 -6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.460 -14.634 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.897 -15.420 -6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.945 -15.535 -8.924 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.632 -15.076 -8.811 1.00 0.00 H new ATOM 0 HE ARG A 10 12.467 -17.676 -8.148 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.163 -15.461 -7.618 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.282 -16.749 -7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.909 -19.325 -7.556 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.575 -18.927 -7.123 1.00 0.00 H new ATOM 116 N SER A 11 9.810 -11.922 -5.826 1.00 0.00 N ATOM 117 CA SER A 11 9.199 -10.702 -5.313 1.00 0.00 C ATOM 118 C SER A 11 9.301 -9.572 -6.334 1.00 0.00 C ATOM 119 O SER A 11 10.378 -9.020 -6.558 1.00 0.00 O ATOM 120 CB SER A 11 9.867 -10.283 -4.003 1.00 0.00 C ATOM 121 OG SER A 11 11.227 -9.941 -4.210 1.00 0.00 O ATOM 0 H SER A 11 10.365 -12.435 -5.142 1.00 0.00 H new ATOM 0 HA SER A 11 8.145 -10.905 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.336 -9.432 -3.576 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.799 -11.096 -3.280 1.00 0.00 H new ATOM 0 HG SER A 11 11.326 -9.507 -5.083 1.00 0.00 H new ATOM 127 N SER A 12 8.173 -9.235 -6.949 1.00 0.00 N ATOM 128 CA SER A 12 8.135 -8.174 -7.949 1.00 0.00 C ATOM 129 C SER A 12 8.863 -6.930 -7.449 1.00 0.00 C ATOM 130 O SER A 12 8.662 -6.492 -6.317 1.00 0.00 O ATOM 131 CB SER A 12 6.687 -7.826 -8.299 1.00 0.00 C ATOM 132 OG SER A 12 6.206 -8.642 -9.353 1.00 0.00 O ATOM 0 H SER A 12 7.273 -9.681 -6.773 1.00 0.00 H new ATOM 0 HA SER A 12 8.641 -8.534 -8.845 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.056 -7.954 -7.419 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.622 -6.777 -8.588 1.00 0.00 H new ATOM 0 HG SER A 12 5.278 -8.401 -9.556 1.00 0.00 H new ATOM 138 N LYS A 13 9.710 -6.366 -8.303 1.00 0.00 N ATOM 139 CA LYS A 13 10.469 -5.171 -7.951 1.00 0.00 C ATOM 140 C LYS A 13 9.651 -4.253 -7.050 1.00 0.00 C ATOM 141 O LYS A 13 10.129 -3.800 -6.009 1.00 0.00 O ATOM 142 CB LYS A 13 10.891 -4.420 -9.216 1.00 0.00 C ATOM 143 CG LYS A 13 11.888 -5.181 -10.072 1.00 0.00 C ATOM 144 CD LYS A 13 13.299 -5.065 -9.523 1.00 0.00 C ATOM 145 CE LYS A 13 14.131 -6.293 -9.856 1.00 0.00 C ATOM 146 NZ LYS A 13 14.391 -6.407 -11.318 1.00 0.00 N ATOM 0 H LYS A 13 9.888 -6.717 -9.244 1.00 0.00 H new ATOM 0 HA LYS A 13 11.360 -5.483 -7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.005 -4.203 -9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.326 -3.462 -8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.601 -6.231 -10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.861 -4.797 -11.092 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.779 -4.177 -9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.260 -4.933 -8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.080 -6.245 -9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.614 -7.187 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.961 -7.257 -11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.487 -6.478 -11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.907 -5.566 -11.645 1.00 0.00 H new ATOM 160 N LEU A 14 8.415 -3.981 -7.455 1.00 0.00 N ATOM 161 CA LEU A 14 7.529 -3.117 -6.683 1.00 0.00 C ATOM 162 C LEU A 14 7.335 -3.660 -5.271 1.00 0.00 C ATOM 163 O LEU A 14 7.607 -2.970 -4.287 1.00 0.00 O ATOM 164 CB LEU A 14 6.175 -2.987 -7.383 1.00 0.00 C ATOM 165 CG LEU A 14 5.018 -2.487 -6.517 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.155 -0.996 -6.252 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.683 -2.792 -7.182 1.00 0.00 C ATOM 0 H LEU A 14 8.004 -4.347 -8.314 1.00 0.00 H new ATOM 0 HA LEU A 14 7.991 -2.132 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.289 -2.309 -8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.904 -3.961 -7.790 1.00 0.00 H new ATOM 0 HG LEU A 14 5.053 -3.010 -5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.323 -0.658 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.094 -0.803 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.147 -0.456 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.871 -2.429 -6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.638 -2.297 -8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.582 -3.869 -7.319 1.00 0.00 H new ATOM 179 N LEU A 15 6.864 -4.898 -5.178 1.00 0.00 N ATOM 180 CA LEU A 15 6.636 -5.535 -3.885 1.00 0.00 C ATOM 181 C LEU A 15 7.769 -5.220 -2.915 1.00 0.00 C ATOM 182 O LEU A 15 7.542 -4.680 -1.833 1.00 0.00 O ATOM 183 CB LEU A 15 6.502 -7.049 -4.057 1.00 0.00 C ATOM 184 CG LEU A 15 6.557 -7.878 -2.773 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.425 -7.486 -1.836 1.00 0.00 C ATOM 186 CD2 LEU A 15 6.495 -9.364 -3.094 1.00 0.00 C ATOM 0 H LEU A 15 6.632 -5.481 -5.982 1.00 0.00 H new ATOM 0 HA LEU A 15 5.709 -5.139 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.557 -7.255 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.296 -7.391 -4.721 1.00 0.00 H new ATOM 0 HG LEU A 15 7.503 -7.674 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.480 -8.086 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.514 -6.430 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.468 -7.660 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.535 -9.938 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.565 -9.585 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.340 -9.635 -3.726 1.00 0.00 H new ATOM 198 N GLY A 16 8.992 -5.560 -3.311 1.00 0.00 N ATOM 199 CA GLY A 16 10.144 -5.304 -2.466 1.00 0.00 C ATOM 200 C GLY A 16 10.062 -3.962 -1.765 1.00 0.00 C ATOM 201 O GLY A 16 10.077 -3.894 -0.536 1.00 0.00 O ATOM 0 H GLY A 16 9.206 -6.008 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.227 -6.095 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.050 -5.340 -3.071 1.00 0.00 H new ATOM 205 N TRP A 17 9.977 -2.893 -2.548 1.00 0.00 N ATOM 206 CA TRP A 17 9.894 -1.546 -1.995 1.00 0.00 C ATOM 207 C TRP A 17 8.999 -1.518 -0.761 1.00 0.00 C ATOM 208 O TRP A 17 9.373 -0.967 0.276 1.00 0.00 O ATOM 209 CB TRP A 17 9.363 -0.572 -3.048 1.00 0.00 C ATOM 210 CG TRP A 17 9.492 0.866 -2.646 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.640 1.605 -2.603 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.436 1.738 -2.228 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.361 2.884 -2.184 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.016 2.991 -1.948 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.057 1.583 -2.065 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.263 4.079 -1.514 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.311 2.663 -1.633 1.00 0.00 C ATOM 218 CH2 TRP A 17 6.915 3.898 -1.362 1.00 0.00 C ATOM 0 H TRP A 17 9.964 -2.932 -3.567 1.00 0.00 H new ATOM 0 HA TRP A 17 10.897 -1.239 -1.700 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.901 -0.730 -3.983 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.314 -0.795 -3.242 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.623 1.238 -2.860 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.045 3.632 -2.068 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.582 0.635 -2.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.726 5.032 -1.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.245 2.553 -1.502 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.305 4.723 -1.027 1.00 0.00 H new ATOM 229 N CYS A 18 7.818 -2.114 -0.878 1.00 0.00 N ATOM 230 CA CYS A 18 6.870 -2.157 0.229 1.00 0.00 C ATOM 231 C CYS A 18 7.415 -2.996 1.380 1.00 0.00 C ATOM 232 O CYS A 18 7.395 -2.570 2.534 1.00 0.00 O ATOM 233 CB CYS A 18 5.530 -2.724 -0.242 1.00 0.00 C ATOM 234 SG CYS A 18 4.805 -1.840 -1.643 1.00 0.00 S ATOM 0 H CYS A 18 7.494 -2.574 -1.729 1.00 0.00 H new ATOM 0 HA CYS A 18 6.720 -1.138 0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.667 -3.770 -0.518 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.826 -2.703 0.590 1.00 0.00 H new ATOM 0 HG CYS A 18 3.511 -1.823 -1.523 1.00 0.00 H new ATOM 240 N GLN A 19 7.899 -4.191 1.056 1.00 0.00 N ATOM 241 CA GLN A 19 8.447 -5.091 2.064 1.00 0.00 C ATOM 242 C GLN A 19 9.543 -4.402 2.871 1.00 0.00 C ATOM 243 O GLN A 19 9.680 -4.631 4.073 1.00 0.00 O ATOM 244 CB GLN A 19 9.001 -6.354 1.403 1.00 0.00 C ATOM 245 CG GLN A 19 8.016 -7.031 0.464 1.00 0.00 C ATOM 246 CD GLN A 19 8.287 -8.515 0.305 1.00 0.00 C ATOM 247 OE1 GLN A 19 7.241 -9.324 0.428 1.00 0.00 O flip ATOM 248 NE2 GLN A 19 9.423 -8.929 0.074 1.00 0.00 N flip ATOM 0 H GLN A 19 7.923 -4.558 0.105 1.00 0.00 H new ATOM 0 HA GLN A 19 7.641 -5.369 2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.903 -6.097 0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.295 -7.061 2.179 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.003 -6.889 0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.062 -6.550 -0.513 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.198 -8.271 -0.013 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.590 -9.930 -0.031 1.00 0.00 H new ATOM 257 N ARG A 20 10.322 -3.559 2.201 1.00 0.00 N ATOM 258 CA ARG A 20 11.407 -2.838 2.856 1.00 0.00 C ATOM 259 C ARG A 20 10.875 -1.627 3.617 1.00 0.00 C ATOM 260 O ARG A 20 11.203 -1.424 4.785 1.00 0.00 O ATOM 261 CB ARG A 20 12.445 -2.390 1.825 1.00 0.00 C ATOM 262 CG ARG A 20 13.123 -3.543 1.103 1.00 0.00 C ATOM 263 CD ARG A 20 14.046 -4.316 2.031 1.00 0.00 C ATOM 264 NE ARG A 20 15.085 -3.464 2.605 1.00 0.00 N ATOM 265 CZ ARG A 20 15.936 -3.872 3.540 1.00 0.00 C ATOM 266 NH1 ARG A 20 15.872 -5.112 4.004 1.00 0.00 N ATOM 267 NH2 ARG A 20 16.853 -3.038 4.012 1.00 0.00 N ATOM 0 H ARG A 20 10.222 -3.359 1.206 1.00 0.00 H new ATOM 0 HA ARG A 20 11.880 -3.514 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.961 -1.747 1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.204 -1.788 2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.367 -4.215 0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.694 -3.159 0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.460 -4.764 2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.511 -5.134 1.481 1.00 0.00 H new ATOM 0 HE ARG A 20 15.161 -2.504 2.270 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.168 -5.756 3.643 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.527 -5.422 4.722 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.905 -2.083 3.657 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.506 -3.351 4.730 1.00 0.00 H new ATOM 281 N GLN A 21 10.052 -0.828 2.945 1.00 0.00 N ATOM 282 CA GLN A 21 9.475 0.363 3.558 1.00 0.00 C ATOM 283 C GLN A 21 8.607 -0.008 4.756 1.00 0.00 C ATOM 284 O GLN A 21 8.866 0.420 5.881 1.00 0.00 O ATOM 285 CB GLN A 21 8.647 1.140 2.533 1.00 0.00 C ATOM 286 CG GLN A 21 9.488 1.853 1.487 1.00 0.00 C ATOM 287 CD GLN A 21 10.841 2.283 2.019 1.00 0.00 C ATOM 288 OE1 GLN A 21 10.929 3.063 2.967 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.906 1.773 1.411 1.00 0.00 N ATOM 0 H GLN A 21 9.770 -0.984 1.977 1.00 0.00 H new ATOM 0 HA GLN A 21 10.292 0.994 3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.966 0.452 2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.033 1.874 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.631 1.194 0.631 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.948 2.729 1.128 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.787 1.130 0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.843 2.025 1.727 1.00 0.00 H new ATOM 298 N THR A 22 7.573 -0.805 4.506 1.00 0.00 N ATOM 299 CA THR A 22 6.664 -1.232 5.563 1.00 0.00 C ATOM 300 C THR A 22 7.430 -1.826 6.740 1.00 0.00 C ATOM 301 O THR A 22 6.993 -1.736 7.887 1.00 0.00 O ATOM 302 CB THR A 22 5.651 -2.272 5.047 1.00 0.00 C ATOM 303 OG1 THR A 22 6.340 -3.435 4.576 1.00 0.00 O ATOM 304 CG2 THR A 22 4.802 -1.690 3.927 1.00 0.00 C ATOM 0 H THR A 22 7.344 -1.168 3.581 1.00 0.00 H new ATOM 0 HA THR A 22 6.125 -0.344 5.894 1.00 0.00 H new ATOM 0 HB THR A 22 4.995 -2.549 5.872 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.567 -3.320 3.630 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.094 -2.442 3.579 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.256 -0.822 4.297 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.446 -1.388 3.101 1.00 0.00 H new ATOM 312 N ASP A 23 8.575 -2.433 6.448 1.00 0.00 N ATOM 313 CA ASP A 23 9.404 -3.041 7.483 1.00 0.00 C ATOM 314 C ASP A 23 9.532 -2.116 8.689 1.00 0.00 C ATOM 315 O ASP A 23 9.954 -0.967 8.561 1.00 0.00 O ATOM 316 CB ASP A 23 10.790 -3.372 6.928 1.00 0.00 C ATOM 317 CG ASP A 23 11.618 -4.199 7.892 1.00 0.00 C ATOM 318 OD1 ASP A 23 11.536 -5.443 7.827 1.00 0.00 O ATOM 319 OD2 ASP A 23 12.346 -3.602 8.713 1.00 0.00 O ATOM 0 H ASP A 23 8.950 -2.517 5.503 1.00 0.00 H new ATOM 0 HA ASP A 23 8.921 -3.964 7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.682 -3.914 5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.318 -2.446 6.702 1.00 0.00 H new ATOM 324 N GLY A 24 9.165 -2.625 9.861 1.00 0.00 N ATOM 325 CA GLY A 24 9.245 -1.830 11.073 1.00 0.00 C ATOM 326 C GLY A 24 7.907 -1.704 11.774 1.00 0.00 C ATOM 327 O GLY A 24 7.849 -1.563 12.995 1.00 0.00 O ATOM 0 H GLY A 24 8.814 -3.573 9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.967 -2.282 11.753 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.618 -0.836 10.827 1.00 0.00 H new ATOM 331 N TYR A 25 6.829 -1.753 10.999 1.00 0.00 N ATOM 332 CA TYR A 25 5.484 -1.639 11.552 1.00 0.00 C ATOM 333 C TYR A 25 5.072 -2.930 12.252 1.00 0.00 C ATOM 334 O TYR A 25 5.853 -3.877 12.344 1.00 0.00 O ATOM 335 CB TYR A 25 4.482 -1.302 10.447 1.00 0.00 C ATOM 336 CG TYR A 25 4.542 0.139 9.994 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.666 0.640 9.348 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.473 1.001 10.212 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.724 1.956 8.934 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.523 2.318 9.799 1.00 0.00 C ATOM 341 CZ TYR A 25 4.651 2.791 9.161 1.00 0.00 C ATOM 342 OH TYR A 25 4.705 4.103 8.749 1.00 0.00 O ATOM 0 H TYR A 25 6.860 -1.871 9.986 1.00 0.00 H new ATOM 0 HA TYR A 25 5.488 -0.834 12.287 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.666 -1.951 9.591 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.475 -1.521 10.802 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.508 -0.011 9.167 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.589 0.635 10.713 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.606 2.329 8.435 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.683 2.974 9.975 1.00 0.00 H new ATOM 0 HH TYR A 25 4.282 4.675 9.423 1.00 0.00 H new ATOM 352 N ALA A 26 3.838 -2.960 12.744 1.00 0.00 N ATOM 353 CA ALA A 26 3.319 -4.135 13.434 1.00 0.00 C ATOM 354 C ALA A 26 2.188 -4.781 12.641 1.00 0.00 C ATOM 355 O ALA A 26 1.155 -4.160 12.396 1.00 0.00 O ATOM 356 CB ALA A 26 2.841 -3.760 14.829 1.00 0.00 C ATOM 0 H ALA A 26 3.179 -2.184 12.678 1.00 0.00 H new ATOM 0 HA ALA A 26 4.127 -4.861 13.522 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.456 -4.647 15.332 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.674 -3.351 15.401 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.050 -3.013 14.754 1.00 0.00 H new ATOM 362 N GLY A 27 2.391 -6.034 12.243 1.00 0.00 N ATOM 363 CA GLY A 27 1.379 -6.743 11.482 1.00 0.00 C ATOM 364 C GLY A 27 1.154 -6.137 10.111 1.00 0.00 C ATOM 365 O GLY A 27 0.057 -6.222 9.558 1.00 0.00 O ATOM 0 H GLY A 27 3.238 -6.570 12.434 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.677 -7.786 11.371 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.441 -6.737 12.037 1.00 0.00 H new ATOM 369 N VAL A 28 2.195 -5.521 9.560 1.00 0.00 N ATOM 370 CA VAL A 28 2.106 -4.897 8.245 1.00 0.00 C ATOM 371 C VAL A 28 3.064 -5.555 7.258 1.00 0.00 C ATOM 372 O VAL A 28 2.886 -5.456 6.045 1.00 0.00 O ATOM 373 CB VAL A 28 2.416 -3.390 8.317 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.198 -2.734 6.962 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.564 -2.721 9.385 1.00 0.00 C ATOM 0 H VAL A 28 3.110 -5.441 10.004 1.00 0.00 H new ATOM 0 HA VAL A 28 1.082 -5.034 7.899 1.00 0.00 H new ATOM 0 HB VAL A 28 3.464 -3.266 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.422 -1.670 7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.855 -3.195 6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.160 -2.867 6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.796 -1.657 9.422 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.509 -2.854 9.145 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.775 -3.172 10.354 1.00 0.00 H new ATOM 385 N ASN A 29 4.080 -6.228 7.788 1.00 0.00 N ATOM 386 CA ASN A 29 5.068 -6.903 6.954 1.00 0.00 C ATOM 387 C ASN A 29 4.411 -7.510 5.717 1.00 0.00 C ATOM 388 O ASN A 29 3.920 -8.638 5.752 1.00 0.00 O ATOM 389 CB ASN A 29 5.781 -7.995 7.754 1.00 0.00 C ATOM 390 CG ASN A 29 6.623 -8.900 6.875 1.00 0.00 C ATOM 391 OD1 ASN A 29 7.367 -8.430 6.014 1.00 0.00 O ATOM 392 ND2 ASN A 29 6.508 -10.205 7.088 1.00 0.00 N ATOM 0 H ASN A 29 4.241 -6.321 8.791 1.00 0.00 H new ATOM 0 HA ASN A 29 5.800 -6.163 6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.417 -7.532 8.509 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.041 -8.594 8.285 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.049 -10.863 6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.879 -10.550 7.813 1.00 0.00 H new ATOM 399 N VAL A 30 4.407 -6.753 4.625 1.00 0.00 N ATOM 400 CA VAL A 30 3.813 -7.216 3.376 1.00 0.00 C ATOM 401 C VAL A 30 4.488 -8.491 2.886 1.00 0.00 C ATOM 402 O VAL A 30 5.716 -8.586 2.856 1.00 0.00 O ATOM 403 CB VAL A 30 3.909 -6.141 2.277 1.00 0.00 C ATOM 404 CG1 VAL A 30 3.440 -6.700 0.942 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.103 -4.911 2.662 1.00 0.00 C ATOM 0 H VAL A 30 4.808 -5.816 4.579 1.00 0.00 H new ATOM 0 HA VAL A 30 2.762 -7.421 3.582 1.00 0.00 H new ATOM 0 HB VAL A 30 4.953 -5.844 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.515 -5.927 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.065 -7.548 0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.404 -7.026 1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.183 -4.162 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.057 -5.188 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.490 -4.499 3.594 1.00 0.00 H new ATOM 415 N THR A 31 3.679 -9.473 2.501 1.00 0.00 N ATOM 416 CA THR A 31 4.197 -10.744 2.012 1.00 0.00 C ATOM 417 C THR A 31 3.766 -10.996 0.571 1.00 0.00 C ATOM 418 O THR A 31 4.440 -11.711 -0.172 1.00 0.00 O ATOM 419 CB THR A 31 3.725 -11.918 2.890 1.00 0.00 C ATOM 420 OG1 THR A 31 2.294 -11.948 2.940 1.00 0.00 O ATOM 421 CG2 THR A 31 4.284 -11.799 4.300 1.00 0.00 C ATOM 0 H THR A 31 2.661 -9.412 2.519 1.00 0.00 H new ATOM 0 HA THR A 31 5.284 -10.680 2.057 1.00 0.00 H new ATOM 0 HB THR A 31 4.092 -12.844 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.934 -11.159 2.483 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.937 -12.639 4.901 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.373 -11.806 4.261 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.943 -10.866 4.749 1.00 0.00 H new ATOM 429 N ASP A 32 2.642 -10.405 0.183 1.00 0.00 N ATOM 430 CA ASP A 32 2.122 -10.564 -1.170 1.00 0.00 C ATOM 431 C ASP A 32 1.545 -9.251 -1.689 1.00 0.00 C ATOM 432 O ASP A 32 1.631 -8.217 -1.024 1.00 0.00 O ATOM 433 CB ASP A 32 1.050 -11.655 -1.203 1.00 0.00 C ATOM 434 CG ASP A 32 0.920 -12.298 -2.569 1.00 0.00 C ATOM 435 OD1 ASP A 32 1.848 -13.031 -2.971 1.00 0.00 O ATOM 436 OD2 ASP A 32 -0.109 -12.068 -3.238 1.00 0.00 O ATOM 0 H ASP A 32 2.073 -9.811 0.786 1.00 0.00 H new ATOM 0 HA ASP A 32 2.948 -10.858 -1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.292 -12.421 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.091 -11.226 -0.914 1.00 0.00 H new ATOM 441 N LEU A 33 0.958 -9.298 -2.879 1.00 0.00 N ATOM 442 CA LEU A 33 0.367 -8.112 -3.488 1.00 0.00 C ATOM 443 C LEU A 33 -1.128 -8.307 -3.723 1.00 0.00 C ATOM 444 O LEU A 33 -1.694 -7.770 -4.675 1.00 0.00 O ATOM 445 CB LEU A 33 1.064 -7.792 -4.812 1.00 0.00 C ATOM 446 CG LEU A 33 2.572 -7.549 -4.734 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.190 -7.577 -6.123 1.00 0.00 C ATOM 448 CD2 LEU A 33 2.864 -6.224 -4.045 1.00 0.00 C ATOM 0 H LEU A 33 0.878 -10.145 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 33 0.503 -7.277 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.884 -8.616 -5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.595 -6.907 -5.242 1.00 0.00 H new ATOM 0 HG LEU A 33 3.019 -8.349 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.263 -7.402 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.012 -8.550 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.738 -6.799 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.942 -6.068 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.404 -5.412 -4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.456 -6.242 -3.034 1.00 0.00 H new ATOM 460 N THR A 34 -1.763 -9.078 -2.846 1.00 0.00 N ATOM 461 CA THR A 34 -3.192 -9.344 -2.956 1.00 0.00 C ATOM 462 C THR A 34 -3.893 -9.150 -1.616 1.00 0.00 C ATOM 463 O THR A 34 -4.617 -8.175 -1.420 1.00 0.00 O ATOM 464 CB THR A 34 -3.460 -10.774 -3.461 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.763 -11.721 -2.644 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.023 -10.928 -4.910 1.00 0.00 C ATOM 0 H THR A 34 -1.310 -9.529 -2.051 1.00 0.00 H new ATOM 0 HA THR A 34 -3.591 -8.631 -3.678 1.00 0.00 H new ATOM 0 HB THR A 34 -4.532 -10.962 -3.400 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.845 -11.823 -2.972 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.222 -11.946 -5.244 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.577 -10.227 -5.534 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.956 -10.722 -4.992 1.00 0.00 H new ATOM 474 N MET A 35 -3.671 -10.084 -0.697 1.00 0.00 N ATOM 475 CA MET A 35 -4.280 -10.014 0.626 1.00 0.00 C ATOM 476 C MET A 35 -3.525 -9.036 1.521 1.00 0.00 C ATOM 477 O MET A 35 -4.131 -8.206 2.199 1.00 0.00 O ATOM 478 CB MET A 35 -4.306 -11.400 1.273 1.00 0.00 C ATOM 479 CG MET A 35 -4.576 -12.525 0.288 1.00 0.00 C ATOM 480 SD MET A 35 -4.751 -14.128 1.096 1.00 0.00 S ATOM 481 CE MET A 35 -6.410 -13.995 1.758 1.00 0.00 C ATOM 0 H MET A 35 -3.074 -10.898 -0.844 1.00 0.00 H new ATOM 0 HA MET A 35 -5.303 -9.656 0.509 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.350 -11.580 1.765 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.072 -11.416 2.049 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.485 -12.303 -0.271 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.761 -12.574 -0.435 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.725 -14.963 2.147 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.423 -13.259 2.562 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.093 -13.682 0.968 1.00 0.00 H new ATOM 491 N SER A 36 -2.200 -9.139 1.518 1.00 0.00 N ATOM 492 CA SER A 36 -1.363 -8.266 2.332 1.00 0.00 C ATOM 493 C SER A 36 -1.916 -6.844 2.349 1.00 0.00 C ATOM 494 O SER A 36 -1.746 -6.112 3.323 1.00 0.00 O ATOM 495 CB SER A 36 0.072 -8.262 1.804 1.00 0.00 C ATOM 496 OG SER A 36 0.682 -9.529 1.974 1.00 0.00 O ATOM 0 H SER A 36 -1.683 -9.819 0.961 1.00 0.00 H new ATOM 0 HA SER A 36 -1.365 -8.650 3.352 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.073 -7.993 0.748 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.653 -7.502 2.327 1.00 0.00 H new ATOM 0 HG SER A 36 0.269 -10.175 1.364 1.00 0.00 H new ATOM 502 N TRP A 37 -2.578 -6.461 1.263 1.00 0.00 N ATOM 503 CA TRP A 37 -3.156 -5.127 1.151 1.00 0.00 C ATOM 504 C TRP A 37 -4.633 -5.140 1.529 1.00 0.00 C ATOM 505 O TRP A 37 -5.152 -4.170 2.080 1.00 0.00 O ATOM 506 CB TRP A 37 -2.985 -4.592 -0.272 1.00 0.00 C ATOM 507 CG TRP A 37 -1.555 -4.537 -0.718 1.00 0.00 C ATOM 508 CD1 TRP A 37 -0.845 -5.536 -1.320 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.662 -3.425 -0.595 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.436 -5.112 -1.579 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.573 -3.820 -1.144 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.785 -2.133 -0.076 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.675 -2.970 -1.187 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.309 -1.291 -0.119 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.526 -1.711 -0.672 1.00 0.00 C ATOM 0 H TRP A 37 -2.728 -7.055 0.448 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.629 -4.471 1.844 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.549 -5.222 -0.960 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.415 -3.592 -0.331 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.233 -6.515 -1.558 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.166 -5.669 -2.023 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.719 -1.799 0.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.614 -3.293 -1.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.225 -0.291 0.281 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.362 -1.028 -0.692 1.00 0.00 H new ATOM 526 N LYS A 38 -5.306 -6.246 1.229 1.00 0.00 N ATOM 527 CA LYS A 38 -6.724 -6.387 1.538 1.00 0.00 C ATOM 528 C LYS A 38 -7.050 -5.765 2.892 1.00 0.00 C ATOM 529 O LYS A 38 -8.037 -5.043 3.032 1.00 0.00 O ATOM 530 CB LYS A 38 -7.123 -7.865 1.534 1.00 0.00 C ATOM 531 CG LYS A 38 -7.479 -8.395 0.156 1.00 0.00 C ATOM 532 CD LYS A 38 -8.017 -9.814 0.227 1.00 0.00 C ATOM 533 CE LYS A 38 -9.444 -9.844 0.751 1.00 0.00 C ATOM 534 NZ LYS A 38 -9.491 -9.766 2.237 1.00 0.00 N ATOM 0 H LYS A 38 -4.892 -7.058 0.772 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.292 -5.861 0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.302 -8.455 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.975 -8.004 2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.224 -7.745 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.597 -8.371 -0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.983 -10.267 -0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.378 -10.414 0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.005 -9.011 0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.933 -10.760 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.114 -10.513 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.533 -9.894 2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.859 -8.837 2.524 1.00 0.00 H new ATOM 548 N SER A 39 -6.214 -6.049 3.885 1.00 0.00 N ATOM 549 CA SER A 39 -6.415 -5.518 5.229 1.00 0.00 C ATOM 550 C SER A 39 -6.568 -4.001 5.196 1.00 0.00 C ATOM 551 O SER A 39 -7.589 -3.459 5.618 1.00 0.00 O ATOM 552 CB SER A 39 -5.244 -5.905 6.133 1.00 0.00 C ATOM 553 OG SER A 39 -5.622 -5.876 7.499 1.00 0.00 O ATOM 0 H SER A 39 -5.391 -6.643 3.785 1.00 0.00 H new ATOM 0 HA SER A 39 -7.332 -5.949 5.630 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.893 -6.903 5.871 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.412 -5.221 5.968 1.00 0.00 H new ATOM 0 HG SER A 39 -4.856 -6.129 8.056 1.00 0.00 H new ATOM 559 N GLY A 40 -5.543 -3.319 4.692 1.00 0.00 N ATOM 560 CA GLY A 40 -5.582 -1.871 4.614 1.00 0.00 C ATOM 561 C GLY A 40 -4.396 -1.221 5.298 1.00 0.00 C ATOM 562 O GLY A 40 -3.871 -0.213 4.823 1.00 0.00 O ATOM 0 H GLY A 40 -4.687 -3.744 4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.605 -1.567 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.503 -1.510 5.071 1.00 0.00 H new ATOM 566 N LEU A 41 -3.972 -1.797 6.417 1.00 0.00 N ATOM 567 CA LEU A 41 -2.840 -1.267 7.170 1.00 0.00 C ATOM 568 C LEU A 41 -1.679 -0.930 6.240 1.00 0.00 C ATOM 569 O LEU A 41 -1.232 0.216 6.179 1.00 0.00 O ATOM 570 CB LEU A 41 -2.387 -2.276 8.226 1.00 0.00 C ATOM 571 CG LEU A 41 -3.394 -2.587 9.334 1.00 0.00 C ATOM 572 CD1 LEU A 41 -2.932 -3.779 10.156 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.599 -1.370 10.224 1.00 0.00 C ATOM 0 H LEU A 41 -4.395 -2.631 6.824 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.161 -0.352 7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.132 -3.208 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.473 -1.903 8.688 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.348 -2.839 8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.661 -3.985 10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.837 -4.652 9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.966 -3.556 10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.319 -1.609 11.007 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.649 -1.087 10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.976 -0.541 9.625 1.00 0.00 H new ATOM 585 N ALA A 42 -1.195 -1.934 5.517 1.00 0.00 N ATOM 586 CA ALA A 42 -0.088 -1.743 4.588 1.00 0.00 C ATOM 587 C ALA A 42 -0.167 -0.378 3.914 1.00 0.00 C ATOM 588 O ALA A 42 0.647 0.507 4.183 1.00 0.00 O ATOM 589 CB ALA A 42 -0.079 -2.850 3.543 1.00 0.00 C ATOM 0 H ALA A 42 -1.552 -2.889 5.557 1.00 0.00 H new ATOM 0 HA ALA A 42 0.842 -1.786 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.753 -2.695 2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.033 -3.815 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.017 -2.833 2.987 1.00 0.00 H new ATOM 595 N LEU A 43 -1.151 -0.212 3.037 1.00 0.00 N ATOM 596 CA LEU A 43 -1.336 1.047 2.323 1.00 0.00 C ATOM 597 C LEU A 43 -1.165 2.236 3.263 1.00 0.00 C ATOM 598 O LEU A 43 -0.513 3.223 2.919 1.00 0.00 O ATOM 599 CB LEU A 43 -2.721 1.090 1.675 1.00 0.00 C ATOM 600 CG LEU A 43 -2.962 2.227 0.681 1.00 0.00 C ATOM 601 CD1 LEU A 43 -1.815 2.318 -0.313 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.285 2.030 -0.044 1.00 0.00 C ATOM 0 H LEU A 43 -1.833 -0.933 2.803 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.575 1.110 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.889 0.143 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.468 1.161 2.466 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.011 3.165 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.004 3.132 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.884 2.507 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.734 1.380 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.440 2.848 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.266 1.085 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.099 2.016 0.681 1.00 0.00 H new ATOM 614 N CYS A 44 -1.752 2.134 4.450 1.00 0.00 N ATOM 615 CA CYS A 44 -1.663 3.201 5.441 1.00 0.00 C ATOM 616 C CYS A 44 -0.224 3.389 5.910 1.00 0.00 C ATOM 617 O CYS A 44 0.215 4.511 6.162 1.00 0.00 O ATOM 618 CB CYS A 44 -2.566 2.891 6.636 1.00 0.00 C ATOM 619 SG CYS A 44 -4.307 2.664 6.207 1.00 0.00 S ATOM 0 H CYS A 44 -2.294 1.324 4.750 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.997 4.127 4.973 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.203 1.988 7.127 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.484 3.702 7.360 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.459 1.525 5.598 1.00 0.00 H new ATOM 625 N ALA A 45 0.504 2.284 6.026 1.00 0.00 N ATOM 626 CA ALA A 45 1.894 2.327 6.464 1.00 0.00 C ATOM 627 C ALA A 45 2.795 2.902 5.377 1.00 0.00 C ATOM 628 O ALA A 45 3.977 3.159 5.609 1.00 0.00 O ATOM 629 CB ALA A 45 2.365 0.936 6.863 1.00 0.00 C ATOM 0 H ALA A 45 0.155 1.347 5.823 1.00 0.00 H new ATOM 0 HA ALA A 45 1.955 2.982 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.404 0.983 7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.746 0.563 7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.282 0.265 6.008 1.00 0.00 H new ATOM 635 N ILE A 46 2.230 3.100 4.191 1.00 0.00 N ATOM 636 CA ILE A 46 2.983 3.645 3.068 1.00 0.00 C ATOM 637 C ILE A 46 2.951 5.170 3.072 1.00 0.00 C ATOM 638 O ILE A 46 3.962 5.823 2.813 1.00 0.00 O ATOM 639 CB ILE A 46 2.436 3.134 1.722 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.449 1.605 1.688 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.251 3.702 0.569 1.00 0.00 C ATOM 642 CD1 ILE A 46 3.840 1.013 1.629 1.00 0.00 C ATOM 0 H ILE A 46 1.254 2.891 3.983 1.00 0.00 H new ATOM 0 HA ILE A 46 4.012 3.306 3.184 1.00 0.00 H new ATOM 0 HB ILE A 46 1.405 3.472 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.939 1.226 2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.881 1.264 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.852 3.332 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.194 4.790 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.291 3.391 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.772 -0.075 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.346 1.363 0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.405 1.324 2.508 1.00 0.00 H new ATOM 654 N ILE A 47 1.783 5.730 3.369 1.00 0.00 N ATOM 655 CA ILE A 47 1.620 7.178 3.410 1.00 0.00 C ATOM 656 C ILE A 47 2.228 7.764 4.679 1.00 0.00 C ATOM 657 O ILE A 47 2.872 8.813 4.645 1.00 0.00 O ATOM 658 CB ILE A 47 0.135 7.579 3.332 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.490 7.060 2.036 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.011 9.090 3.429 1.00 0.00 C ATOM 661 CD1 ILE A 47 -1.998 7.167 2.006 1.00 0.00 C ATOM 0 H ILE A 47 0.936 5.203 3.585 1.00 0.00 H new ATOM 0 HA ILE A 47 2.142 7.579 2.542 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.392 7.128 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.078 7.617 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.205 6.017 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.066 9.358 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.401 9.435 4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.528 9.561 2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.371 6.781 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.420 6.586 2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.291 8.211 2.113 1.00 0.00 H new ATOM 673 N HIS A 48 2.021 7.079 5.799 1.00 0.00 N ATOM 674 CA HIS A 48 2.551 7.530 7.081 1.00 0.00 C ATOM 675 C HIS A 48 4.073 7.425 7.107 1.00 0.00 C ATOM 676 O HIS A 48 4.757 8.313 7.616 1.00 0.00 O ATOM 677 CB HIS A 48 1.952 6.708 8.223 1.00 0.00 C ATOM 678 CG HIS A 48 2.517 7.050 9.567 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.855 6.926 9.874 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.916 7.515 10.687 1.00 0.00 C ATOM 681 CE1 HIS A 48 4.053 7.299 11.126 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.893 7.661 11.642 1.00 0.00 N ATOM 0 H HIS A 48 1.490 6.209 5.845 1.00 0.00 H new ATOM 0 HA HIS A 48 2.274 8.576 7.212 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.873 6.860 8.242 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.121 5.649 8.025 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.865 7.731 10.808 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.003 7.306 11.640 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.746 7.995 12.595 1.00 0.00 H new ATOM 691 N ARG A 49 4.595 6.335 6.555 1.00 0.00 N ATOM 692 CA ARG A 49 6.036 6.113 6.517 1.00 0.00 C ATOM 693 C ARG A 49 6.777 7.411 6.210 1.00 0.00 C ATOM 694 O ARG A 49 7.809 7.706 6.813 1.00 0.00 O ATOM 695 CB ARG A 49 6.383 5.055 5.468 1.00 0.00 C ATOM 696 CG ARG A 49 7.877 4.859 5.271 1.00 0.00 C ATOM 697 CD ARG A 49 8.460 3.927 6.322 1.00 0.00 C ATOM 698 NE ARG A 49 9.909 4.071 6.438 1.00 0.00 N ATOM 699 CZ ARG A 49 10.499 5.076 7.074 1.00 0.00 C ATOM 700 NH1 ARG A 49 9.769 6.021 7.649 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.823 5.138 7.136 1.00 0.00 N ATOM 0 H ARG A 49 4.042 5.592 6.128 1.00 0.00 H new ATOM 0 HA ARG A 49 6.350 5.758 7.499 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.936 4.105 5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.934 5.338 4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.064 4.451 4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.381 5.824 5.319 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.997 4.134 7.287 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.218 2.896 6.066 1.00 0.00 H new ATOM 0 HE ARG A 49 10.500 3.360 6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.751 5.977 7.604 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.225 6.792 8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.389 4.413 6.695 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.275 5.911 7.625 1.00 0.00 H new ATOM 715 N TYR A 50 6.245 8.182 5.268 1.00 0.00 N ATOM 716 CA TYR A 50 6.857 9.447 4.879 1.00 0.00 C ATOM 717 C TYR A 50 6.121 10.626 5.509 1.00 0.00 C ATOM 718 O TYR A 50 6.731 11.482 6.149 1.00 0.00 O ATOM 719 CB TYR A 50 6.862 9.588 3.356 1.00 0.00 C ATOM 720 CG TYR A 50 7.734 8.571 2.656 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.500 7.209 2.802 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.792 8.971 1.850 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.294 6.275 2.165 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.591 8.044 1.208 1.00 0.00 C ATOM 725 CZ TYR A 50 9.338 6.698 1.368 1.00 0.00 C ATOM 726 OH TYR A 50 10.132 5.772 0.731 1.00 0.00 O ATOM 0 H TYR A 50 5.391 7.953 4.760 1.00 0.00 H new ATOM 0 HA TYR A 50 7.885 9.450 5.241 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.841 9.493 2.988 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.204 10.589 3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.683 6.875 3.424 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.994 10.024 1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.099 5.220 2.290 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.409 8.372 0.584 1.00 0.00 H new ATOM 0 HH TYR A 50 9.575 5.040 0.394 1.00 0.00 H new ATOM 736 N ARG A 51 4.806 10.661 5.322 1.00 0.00 N ATOM 737 CA ARG A 51 3.985 11.734 5.870 1.00 0.00 C ATOM 738 C ARG A 51 2.898 11.174 6.783 1.00 0.00 C ATOM 739 O ARG A 51 1.827 10.763 6.335 1.00 0.00 O ATOM 740 CB ARG A 51 3.349 12.546 4.741 1.00 0.00 C ATOM 741 CG ARG A 51 4.353 13.067 3.725 1.00 0.00 C ATOM 742 CD ARG A 51 3.872 14.356 3.077 1.00 0.00 C ATOM 743 NE ARG A 51 3.088 14.103 1.871 1.00 0.00 N ATOM 744 CZ ARG A 51 2.277 15.000 1.320 1.00 0.00 C ATOM 745 NH1 ARG A 51 2.146 16.202 1.864 1.00 0.00 N ATOM 746 NH2 ARG A 51 1.597 14.695 0.223 1.00 0.00 N ATOM 0 H ARG A 51 4.286 9.959 4.795 1.00 0.00 H new ATOM 0 HA ARG A 51 4.630 12.387 6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.614 11.925 4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.809 13.390 5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.311 13.240 4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.520 12.312 2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.269 14.917 3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.731 14.979 2.827 1.00 0.00 H new ATOM 0 HE ARG A 51 3.167 13.188 1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.668 16.440 2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.523 16.889 1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.696 13.771 -0.198 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.975 15.384 -0.199 1.00 0.00 H new ATOM 760 N PRO A 52 3.177 11.156 8.095 1.00 0.00 N ATOM 761 CA PRO A 52 2.236 10.650 9.098 1.00 0.00 C ATOM 762 C PRO A 52 1.025 11.560 9.269 1.00 0.00 C ATOM 763 O PRO A 52 -0.049 11.111 9.668 1.00 0.00 O ATOM 764 CB PRO A 52 3.069 10.620 10.382 1.00 0.00 C ATOM 765 CG PRO A 52 4.127 11.648 10.171 1.00 0.00 C ATOM 766 CD PRO A 52 4.434 11.630 8.699 1.00 0.00 C ATOM 0 HA PRO A 52 1.824 9.680 8.818 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.459 10.853 11.255 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.503 9.634 10.550 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.782 12.633 10.486 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.016 11.419 10.758 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.708 12.620 8.333 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.266 10.964 8.470 1.00 0.00 H new ATOM 774 N ASP A 53 1.206 12.841 8.964 1.00 0.00 N ATOM 775 CA ASP A 53 0.127 13.814 9.082 1.00 0.00 C ATOM 776 C ASP A 53 -1.067 13.410 8.223 1.00 0.00 C ATOM 777 O ASP A 53 -2.205 13.388 8.694 1.00 0.00 O ATOM 778 CB ASP A 53 0.618 15.204 8.673 1.00 0.00 C ATOM 779 CG ASP A 53 -0.312 16.307 9.138 1.00 0.00 C ATOM 780 OD1 ASP A 53 -1.476 16.332 8.687 1.00 0.00 O ATOM 781 OD2 ASP A 53 0.124 17.145 9.954 1.00 0.00 O ATOM 0 H ASP A 53 2.090 13.229 8.633 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.191 13.841 10.124 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.612 15.372 9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.714 15.247 7.588 1.00 0.00 H new ATOM 786 N LEU A 54 -0.800 13.090 6.962 1.00 0.00 N ATOM 787 CA LEU A 54 -1.853 12.687 6.036 1.00 0.00 C ATOM 788 C LEU A 54 -2.723 11.591 6.644 1.00 0.00 C ATOM 789 O LEU A 54 -3.907 11.800 6.909 1.00 0.00 O ATOM 790 CB LEU A 54 -1.243 12.199 4.721 1.00 0.00 C ATOM 791 CG LEU A 54 -0.115 13.056 4.145 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.312 12.531 2.783 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.548 14.511 4.047 1.00 0.00 C ATOM 0 H LEU A 54 0.136 13.102 6.557 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.481 13.556 5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.863 11.189 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.038 12.133 3.978 1.00 0.00 H new ATOM 0 HG LEU A 54 0.740 12.997 4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.115 13.153 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.664 11.504 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.537 12.559 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.267 15.106 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.419 14.588 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.803 14.882 5.040 1.00 0.00 H new ATOM 805 N ILE A 55 -2.127 10.424 6.865 1.00 0.00 N ATOM 806 CA ILE A 55 -2.846 9.297 7.445 1.00 0.00 C ATOM 807 C ILE A 55 -2.299 8.947 8.824 1.00 0.00 C ATOM 808 O ILE A 55 -1.088 8.834 9.013 1.00 0.00 O ATOM 809 CB ILE A 55 -2.764 8.052 6.542 1.00 0.00 C ATOM 810 CG1 ILE A 55 -3.873 7.060 6.901 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.398 7.395 6.667 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.337 6.223 5.730 1.00 0.00 C ATOM 0 H ILE A 55 -1.148 10.235 6.651 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.889 9.602 7.537 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.902 8.364 5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.516 6.399 7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.724 7.609 7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.356 6.517 6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.625 8.102 6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.232 7.094 7.701 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.123 5.543 6.058 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.724 6.875 4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.498 5.647 5.340 1.00 0.00 H new ATOM 824 N ASP A 56 -3.200 8.775 9.785 1.00 0.00 N ATOM 825 CA ASP A 56 -2.808 8.435 11.148 1.00 0.00 C ATOM 826 C ASP A 56 -2.913 6.931 11.384 1.00 0.00 C ATOM 827 O ASP A 56 -4.009 6.389 11.529 1.00 0.00 O ATOM 828 CB ASP A 56 -3.683 9.183 12.155 1.00 0.00 C ATOM 829 CG ASP A 56 -2.964 9.448 13.463 1.00 0.00 C ATOM 830 OD1 ASP A 56 -2.487 8.476 14.085 1.00 0.00 O ATOM 831 OD2 ASP A 56 -2.879 10.627 13.866 1.00 0.00 O ATOM 0 H ASP A 56 -4.206 8.865 9.646 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.770 8.736 11.287 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.002 10.131 11.721 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.584 8.602 12.351 1.00 0.00 H new ATOM 836 N PHE A 57 -1.765 6.262 11.421 1.00 0.00 N ATOM 837 CA PHE A 57 -1.727 4.821 11.638 1.00 0.00 C ATOM 838 C PHE A 57 -2.122 4.475 13.070 1.00 0.00 C ATOM 839 O PHE A 57 -2.932 3.577 13.303 1.00 0.00 O ATOM 840 CB PHE A 57 -0.330 4.275 11.336 1.00 0.00 C ATOM 841 CG PHE A 57 -0.275 2.776 11.262 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.027 2.022 12.398 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.472 2.120 10.058 1.00 0.00 C ATOM 844 CE1 PHE A 57 0.025 0.642 12.333 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.422 0.741 9.986 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.174 0.001 11.126 1.00 0.00 C ATOM 0 H PHE A 57 -0.849 6.695 11.303 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.445 4.358 10.961 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.017 4.690 10.390 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.360 4.618 12.107 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.127 2.518 13.345 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.667 2.694 9.164 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.221 0.066 13.225 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.576 0.243 9.040 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.136 -1.077 11.073 1.00 0.00 H new ATOM 856 N ASP A 58 -1.544 5.194 14.027 1.00 0.00 N ATOM 857 CA ASP A 58 -1.835 4.964 15.437 1.00 0.00 C ATOM 858 C ASP A 58 -3.340 4.960 15.688 1.00 0.00 C ATOM 859 O ASP A 58 -3.852 4.132 16.440 1.00 0.00 O ATOM 860 CB ASP A 58 -1.165 6.036 16.299 1.00 0.00 C ATOM 861 CG ASP A 58 0.338 6.080 16.102 1.00 0.00 C ATOM 862 OD1 ASP A 58 0.990 5.029 16.271 1.00 0.00 O ATOM 863 OD2 ASP A 58 0.861 7.166 15.778 1.00 0.00 O ATOM 0 H ASP A 58 -0.872 5.941 13.851 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.437 3.987 15.710 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.589 7.010 16.057 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.386 5.844 17.349 1.00 0.00 H new ATOM 868 N SER A 59 -4.043 5.893 15.053 1.00 0.00 N ATOM 869 CA SER A 59 -5.488 6.000 15.211 1.00 0.00 C ATOM 870 C SER A 59 -6.189 4.768 14.648 1.00 0.00 C ATOM 871 O SER A 59 -7.164 4.278 15.220 1.00 0.00 O ATOM 872 CB SER A 59 -6.007 7.259 14.513 1.00 0.00 C ATOM 873 OG SER A 59 -6.156 7.046 13.120 1.00 0.00 O ATOM 0 H SER A 59 -3.635 6.585 14.425 1.00 0.00 H new ATOM 0 HA SER A 59 -5.708 6.067 16.277 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.965 7.549 14.944 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.317 8.085 14.686 1.00 0.00 H new ATOM 0 HG SER A 59 -5.321 6.686 12.753 1.00 0.00 H new ATOM 879 N LEU A 60 -5.687 4.271 13.523 1.00 0.00 N ATOM 880 CA LEU A 60 -6.263 3.095 12.881 1.00 0.00 C ATOM 881 C LEU A 60 -6.074 1.854 13.746 1.00 0.00 C ATOM 882 O LEU A 60 -5.317 1.872 14.717 1.00 0.00 O ATOM 883 CB LEU A 60 -5.626 2.876 11.507 1.00 0.00 C ATOM 884 CG LEU A 60 -5.876 3.970 10.469 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.010 3.746 9.239 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.348 4.015 10.086 1.00 0.00 C ATOM 0 H LEU A 60 -4.882 4.665 13.036 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.332 3.267 12.756 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.550 2.769 11.641 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.993 1.931 11.105 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.606 4.930 10.908 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.201 4.534 8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.959 3.764 9.526 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.249 2.778 8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.508 4.799 9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.644 3.054 9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.948 4.224 10.972 1.00 0.00 H new ATOM 898 N ASP A 61 -6.763 0.777 13.386 1.00 0.00 N ATOM 899 CA ASP A 61 -6.669 -0.475 14.128 1.00 0.00 C ATOM 900 C ASP A 61 -6.854 -1.671 13.200 1.00 0.00 C ATOM 901 O ASP A 61 -7.791 -1.711 12.404 1.00 0.00 O ATOM 902 CB ASP A 61 -7.714 -0.512 15.244 1.00 0.00 C ATOM 903 CG ASP A 61 -7.407 -1.564 16.291 1.00 0.00 C ATOM 904 OD1 ASP A 61 -6.927 -2.654 15.913 1.00 0.00 O ATOM 905 OD2 ASP A 61 -7.646 -1.299 17.488 1.00 0.00 O ATOM 0 H ASP A 61 -7.393 0.746 12.585 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.675 -0.532 14.571 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.766 0.467 15.721 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.695 -0.709 14.812 1.00 0.00 H new ATOM 910 N GLU A 62 -5.953 -2.643 13.309 1.00 0.00 N ATOM 911 CA GLU A 62 -6.018 -3.840 12.478 1.00 0.00 C ATOM 912 C GLU A 62 -7.460 -4.310 12.312 1.00 0.00 C ATOM 913 O GLU A 62 -7.892 -4.640 11.207 1.00 0.00 O ATOM 914 CB GLU A 62 -5.172 -4.959 13.090 1.00 0.00 C ATOM 915 CG GLU A 62 -5.683 -5.440 14.437 1.00 0.00 C ATOM 916 CD GLU A 62 -6.771 -6.488 14.308 1.00 0.00 C ATOM 917 OE1 GLU A 62 -6.842 -7.144 13.248 1.00 0.00 O ATOM 918 OE2 GLU A 62 -7.553 -6.652 15.268 1.00 0.00 O ATOM 0 H GLU A 62 -5.171 -2.625 13.963 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.621 -3.590 11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.145 -5.802 12.399 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.147 -4.607 13.204 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.853 -5.852 15.010 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.068 -4.590 15.000 1.00 0.00 H new ATOM 925 N GLN A 63 -8.198 -4.338 13.416 1.00 0.00 N ATOM 926 CA GLN A 63 -9.591 -4.769 13.393 1.00 0.00 C ATOM 927 C GLN A 63 -10.318 -4.196 12.181 1.00 0.00 C ATOM 928 O GLN A 63 -10.931 -4.931 11.409 1.00 0.00 O ATOM 929 CB GLN A 63 -10.301 -4.339 14.678 1.00 0.00 C ATOM 930 CG GLN A 63 -9.878 -5.136 15.902 1.00 0.00 C ATOM 931 CD GLN A 63 -10.702 -4.801 17.130 1.00 0.00 C ATOM 932 OE1 GLN A 63 -11.888 -4.484 17.028 1.00 0.00 O ATOM 933 NE2 GLN A 63 -10.078 -4.870 18.299 1.00 0.00 N ATOM 0 H GLN A 63 -7.855 -4.068 14.338 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.607 -5.857 13.323 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.103 -3.282 14.857 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.377 -4.443 14.541 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.970 -6.201 15.687 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.826 -4.942 16.111 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.094 -5.137 18.337 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -10.582 -4.656 19.160 1.00 0.00 H new ATOM 942 N ASN A 64 -10.245 -2.878 12.021 1.00 0.00 N ATOM 943 CA ASN A 64 -10.897 -2.207 10.903 1.00 0.00 C ATOM 944 C ASN A 64 -10.199 -2.538 9.587 1.00 0.00 C ATOM 945 O ASN A 64 -9.040 -2.179 9.379 1.00 0.00 O ATOM 946 CB ASN A 64 -10.902 -0.693 11.123 1.00 0.00 C ATOM 947 CG ASN A 64 -11.188 -0.319 12.565 1.00 0.00 C ATOM 948 OD1 ASN A 64 -12.031 -0.931 13.220 1.00 0.00 O ATOM 949 ND2 ASN A 64 -10.486 0.691 13.064 1.00 0.00 N ATOM 0 H ASN A 64 -9.741 -2.254 12.651 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.926 -2.564 10.848 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.936 -0.283 10.829 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.652 -0.237 10.477 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.635 0.989 14.028 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.797 1.169 12.483 1.00 0.00 H new ATOM 956 N VAL A 65 -10.914 -3.226 8.702 1.00 0.00 N ATOM 957 CA VAL A 65 -10.365 -3.605 7.406 1.00 0.00 C ATOM 958 C VAL A 65 -10.867 -2.679 6.304 1.00 0.00 C ATOM 959 O VAL A 65 -10.079 -2.022 5.625 1.00 0.00 O ATOM 960 CB VAL A 65 -10.728 -5.058 7.045 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.276 -5.386 5.630 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.115 -6.024 8.047 1.00 0.00 C ATOM 0 H VAL A 65 -11.874 -3.532 8.859 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.281 -3.518 7.484 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.812 -5.165 7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.541 -6.416 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.767 -4.714 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.196 -5.263 5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.381 -7.046 7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.030 -5.917 8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.493 -5.802 9.045 1.00 0.00 H new ATOM 972 N GLU A 66 -12.185 -2.632 6.133 1.00 0.00 N ATOM 973 CA GLU A 66 -12.792 -1.785 5.113 1.00 0.00 C ATOM 974 C GLU A 66 -12.410 -0.323 5.321 1.00 0.00 C ATOM 975 O GLU A 66 -12.107 0.394 4.367 1.00 0.00 O ATOM 976 CB GLU A 66 -14.315 -1.935 5.135 1.00 0.00 C ATOM 977 CG GLU A 66 -15.035 -0.962 4.217 1.00 0.00 C ATOM 978 CD GLU A 66 -15.380 0.344 4.907 1.00 0.00 C ATOM 979 OE1 GLU A 66 -16.211 0.322 5.839 1.00 0.00 O ATOM 980 OE2 GLU A 66 -14.818 1.388 4.514 1.00 0.00 O ATOM 0 H GLU A 66 -12.852 -3.170 6.687 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.417 -2.105 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.576 -2.954 4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.671 -1.791 6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.409 -0.756 3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.949 -1.426 3.847 1.00 0.00 H new ATOM 987 N LYS A 67 -12.428 0.114 6.576 1.00 0.00 N ATOM 988 CA LYS A 67 -12.083 1.490 6.913 1.00 0.00 C ATOM 989 C LYS A 67 -10.668 1.825 6.453 1.00 0.00 C ATOM 990 O LYS A 67 -10.475 2.643 5.554 1.00 0.00 O ATOM 991 CB LYS A 67 -12.207 1.714 8.422 1.00 0.00 C ATOM 992 CG LYS A 67 -11.935 3.146 8.848 1.00 0.00 C ATOM 993 CD LYS A 67 -12.709 3.510 10.104 1.00 0.00 C ATOM 994 CE LYS A 67 -11.944 3.126 11.361 1.00 0.00 C ATOM 995 NZ LYS A 67 -10.981 4.185 11.770 1.00 0.00 N ATOM 0 H LYS A 67 -12.678 -0.466 7.377 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.780 2.150 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.211 1.433 8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.511 1.052 8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.868 3.277 9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.209 3.825 8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.909 4.581 10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.675 3.005 10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.648 2.942 12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.407 2.194 11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.480 3.885 12.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.293 4.343 11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.496 5.068 11.960 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.682 1.186 7.074 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.284 1.416 6.726 1.00 0.00 C ATOM 1011 C ASN A 68 -8.127 1.647 5.227 1.00 0.00 C ATOM 1012 O ASN A 68 -7.390 2.534 4.799 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.427 0.226 7.163 1.00 0.00 C ATOM 1014 CG ASN A 68 -6.950 0.353 8.597 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.802 0.719 8.851 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.831 0.048 9.542 1.00 0.00 N ATOM 0 H ASN A 68 -9.825 0.505 7.820 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.947 2.311 7.250 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.004 -0.693 7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.564 0.141 6.502 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.567 0.113 10.525 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.772 -0.251 9.285 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.827 0.843 4.433 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.765 0.960 2.980 1.00 0.00 C ATOM 1025 C ASN A 69 -9.496 2.212 2.504 1.00 0.00 C ATOM 1026 O ASN A 69 -8.893 3.105 1.909 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.373 -0.280 2.322 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.547 -1.528 2.566 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.435 -1.660 2.055 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.089 -2.451 3.352 1.00 0.00 N ATOM 0 H ASN A 69 -9.443 0.104 4.771 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.717 1.040 2.691 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.381 -0.434 2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.463 -0.111 1.249 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.580 -3.312 3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.014 -2.299 3.754 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.796 2.270 2.771 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.608 3.412 2.370 1.00 0.00 C ATOM 1039 C GLN A 70 -10.881 4.723 2.650 1.00 0.00 C ATOM 1040 O GLN A 70 -10.925 5.654 1.845 1.00 0.00 O ATOM 1041 CB GLN A 70 -12.951 3.394 3.103 1.00 0.00 C ATOM 1042 CG GLN A 70 -13.839 4.584 2.777 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.292 4.595 1.331 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -15.333 4.031 0.991 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -13.512 5.238 0.470 1.00 0.00 N ATOM 0 H GLN A 70 -11.310 1.539 3.263 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.787 3.338 1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.481 2.476 2.850 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.769 3.371 4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.713 4.569 3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.298 5.506 2.991 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.658 5.691 0.796 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.767 5.279 -0.517 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.212 4.789 3.796 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.474 5.986 4.183 1.00 0.00 C ATOM 1056 C LEU A 71 -8.365 6.290 3.182 1.00 0.00 C ATOM 1057 O LEU A 71 -8.429 7.277 2.449 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.880 5.813 5.582 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.252 7.060 6.204 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.290 8.162 6.353 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.628 6.728 7.552 1.00 0.00 C ATOM 0 H LEU A 71 -10.166 4.028 4.473 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.170 6.825 4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.667 5.457 6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.121 5.032 5.538 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.465 7.417 5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.825 9.042 6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.691 8.419 5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.099 7.815 6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.186 7.628 7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.396 6.346 8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.854 5.972 7.418 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.349 5.434 3.154 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.227 5.608 2.239 1.00 0.00 C ATOM 1075 C ALA A 72 -6.708 6.037 0.857 1.00 0.00 C ATOM 1076 O ALA A 72 -6.208 7.008 0.288 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.419 4.323 2.143 1.00 0.00 C ATOM 0 H ALA A 72 -7.280 4.613 3.755 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.587 6.397 2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.585 4.468 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.036 4.060 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.056 3.519 1.775 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.681 5.307 0.321 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.228 5.612 -0.996 1.00 0.00 C ATOM 1085 C PHE A 73 -8.641 7.078 -1.088 1.00 0.00 C ATOM 1086 O PHE A 73 -8.511 7.706 -2.139 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.430 4.712 -1.292 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.058 3.279 -1.544 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -8.002 2.961 -2.383 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.764 2.250 -0.942 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.658 1.643 -2.617 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.425 0.930 -1.173 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.370 0.626 -2.010 1.00 0.00 C ATOM 0 H PHE A 73 -8.107 4.501 0.778 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.451 5.425 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.123 4.757 -0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.959 5.100 -2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.442 3.752 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.589 2.482 -0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.833 1.408 -3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.985 0.137 -0.699 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.102 -0.405 -2.190 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.140 7.616 0.020 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.571 9.008 0.065 1.00 0.00 C ATOM 1105 C ASP A 74 -8.386 9.938 0.305 1.00 0.00 C ATOM 1106 O ASP A 74 -8.118 10.836 -0.493 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.618 9.204 1.163 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.599 10.313 0.837 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -11.780 10.612 -0.362 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -12.187 10.881 1.780 1.00 0.00 O ATOM 0 H ASP A 74 -9.256 7.110 0.898 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.014 9.256 -0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.164 8.272 1.311 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.116 9.432 2.103 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.680 9.715 1.409 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.523 10.533 1.753 1.00 0.00 C ATOM 1117 C ILE A 75 -5.549 10.626 0.584 1.00 0.00 C ATOM 1118 O ILE A 75 -5.187 11.719 0.150 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.782 9.972 2.981 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.722 9.911 4.187 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.561 10.821 3.296 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.152 11.273 4.687 1.00 0.00 C ATOM 0 H ILE A 75 -7.889 8.976 2.080 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.899 11.528 1.990 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.447 8.960 2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.608 9.335 3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.227 9.375 4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.048 10.412 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.885 10.817 2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.874 11.844 3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.817 11.153 5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.274 11.844 4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.676 11.804 3.892 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.129 9.472 0.077 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.199 9.423 -1.045 1.00 0.00 C ATOM 1136 C ALA A 76 -4.601 10.411 -2.134 1.00 0.00 C ATOM 1137 O ALA A 76 -3.892 11.383 -2.394 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.128 8.012 -1.610 1.00 0.00 C ATOM 0 H ALA A 76 -5.418 8.558 0.425 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.212 9.707 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.430 7.990 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.786 7.326 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.117 7.708 -1.954 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.741 10.155 -2.768 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.235 11.023 -3.830 1.00 0.00 C ATOM 1146 C GLU A 77 -6.408 12.454 -3.328 1.00 0.00 C ATOM 1147 O GLU A 77 -6.173 13.414 -4.062 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.566 10.497 -4.372 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.891 10.990 -5.772 1.00 0.00 C ATOM 1150 CD GLU A 77 -9.335 10.738 -6.159 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -10.235 11.152 -5.398 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -9.566 10.126 -7.223 1.00 0.00 O ATOM 0 H GLU A 77 -6.339 9.354 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.499 11.025 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.542 9.407 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.367 10.795 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.683 12.058 -5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.235 10.495 -6.489 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.820 12.588 -2.073 1.00 0.00 N ATOM 1160 CA LYS A 78 -7.024 13.900 -1.470 1.00 0.00 C ATOM 1161 C LYS A 78 -5.744 14.728 -1.523 1.00 0.00 C ATOM 1162 O LYS A 78 -5.767 15.898 -1.905 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.489 13.751 -0.019 1.00 0.00 C ATOM 1164 CG LYS A 78 -8.998 13.681 0.132 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.436 14.057 1.538 1.00 0.00 C ATOM 1166 CE LYS A 78 -10.924 14.366 1.594 1.00 0.00 C ATOM 1167 NZ LYS A 78 -11.281 15.537 0.747 1.00 0.00 N ATOM 0 H LYS A 78 -7.020 11.803 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.795 14.418 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.048 12.849 0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.113 14.593 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.468 14.351 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.341 12.673 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.207 13.240 2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.870 14.925 1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.488 13.494 1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.215 14.562 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.169 15.955 1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.522 16.246 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.402 15.228 -0.239 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.630 14.113 -1.138 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.341 14.795 -1.142 1.00 0.00 C ATOM 1183 C GLU A 79 -2.453 14.271 -2.268 1.00 0.00 C ATOM 1184 O GLU A 79 -2.135 14.997 -3.211 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.638 14.612 0.204 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.459 15.090 1.390 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.345 16.585 1.613 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -3.917 17.351 0.810 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -2.683 16.990 2.592 1.00 0.00 O ATOM 0 H GLU A 79 -4.594 13.145 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.521 15.857 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.400 13.557 0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.692 15.153 0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.505 14.829 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.132 14.566 2.288 1.00 0.00 H new ATOM 1196 N LEU A 80 -2.056 13.008 -2.161 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.204 12.387 -3.169 1.00 0.00 C ATOM 1198 C LEU A 80 -1.755 12.627 -4.571 1.00 0.00 C ATOM 1199 O LEU A 80 -1.005 12.910 -5.504 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.083 10.885 -2.906 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.674 10.482 -1.489 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.446 8.981 -1.405 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.575 11.238 -1.059 1.00 0.00 C ATOM 0 H LEU A 80 -2.310 12.394 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.216 12.842 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.042 10.419 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.355 10.472 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.485 10.744 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.156 8.713 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.365 8.458 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.346 8.694 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.852 10.939 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.393 11.008 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.376 12.310 -1.079 1.00 0.00 H new ATOM 1215 N GLY A 81 -3.072 12.513 -4.711 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.702 12.723 -6.002 1.00 0.00 C ATOM 1217 C GLY A 81 -3.968 11.423 -6.735 1.00 0.00 C ATOM 1218 O GLY A 81 -4.625 11.413 -7.776 1.00 0.00 O ATOM 0 H GLY A 81 -3.714 12.279 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.642 13.256 -5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.063 13.359 -6.616 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.455 10.324 -6.193 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.640 9.013 -6.803 1.00 0.00 C ATOM 1224 C ILE A 82 -5.087 8.547 -6.676 1.00 0.00 C ATOM 1225 O ILE A 82 -5.562 8.258 -5.578 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.716 7.959 -6.166 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.249 8.333 -6.390 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -3.010 6.581 -6.738 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.293 7.606 -5.471 1.00 0.00 C ATOM 0 H ILE A 82 -2.908 10.315 -5.332 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.385 9.118 -7.858 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.905 7.933 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.981 8.117 -7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.131 9.407 -6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.348 5.847 -6.278 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.047 6.315 -6.532 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.846 6.592 -7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.728 7.920 -5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.535 7.842 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.383 6.531 -5.629 1.00 0.00 H new ATOM 1241 N SER A 83 -5.781 8.476 -7.807 1.00 0.00 N ATOM 1242 CA SER A 83 -7.175 8.047 -7.823 1.00 0.00 C ATOM 1243 C SER A 83 -7.292 6.569 -7.461 1.00 0.00 C ATOM 1244 O SER A 83 -6.584 5.715 -7.993 1.00 0.00 O ATOM 1245 CB SER A 83 -7.792 8.297 -9.200 1.00 0.00 C ATOM 1246 OG SER A 83 -7.261 7.406 -10.166 1.00 0.00 O ATOM 0 H SER A 83 -5.401 8.710 -8.724 1.00 0.00 H new ATOM 0 HA SER A 83 -7.718 8.630 -7.079 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.874 8.176 -9.145 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.602 9.326 -9.506 1.00 0.00 H new ATOM 0 HG SER A 83 -7.673 7.585 -11.037 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.210 6.260 -6.532 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.443 4.886 -6.077 1.00 0.00 C ATOM 1254 C PRO A 84 -9.097 4.023 -7.151 1.00 0.00 C ATOM 1255 O PRO A 84 -10.025 4.460 -7.832 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.388 5.063 -4.886 1.00 0.00 C ATOM 1257 CG PRO A 84 -10.085 6.354 -5.143 1.00 0.00 C ATOM 1258 CD PRO A 84 -9.090 7.227 -5.855 1.00 0.00 C ATOM 0 HA PRO A 84 -7.513 4.375 -5.829 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.097 4.238 -4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.838 5.091 -3.945 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.976 6.202 -5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.411 6.814 -4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.577 7.894 -6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.536 7.855 -5.158 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.607 2.797 -7.298 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.145 1.873 -8.288 1.00 0.00 C ATOM 1268 C ILE A 85 -10.348 1.115 -7.737 1.00 0.00 C ATOM 1269 O ILE A 85 -11.200 0.649 -8.493 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.081 0.858 -8.748 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.477 0.137 -7.542 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -6.995 1.558 -9.552 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -6.778 -1.156 -7.899 1.00 0.00 C ATOM 0 H ILE A 85 -7.838 2.420 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.457 2.474 -9.142 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.560 0.117 -9.388 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.766 0.801 -7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.267 -0.074 -6.821 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.250 0.828 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.438 2.030 -10.429 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.517 2.318 -8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.374 -1.613 -6.995 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.490 -1.838 -8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.965 -0.950 -8.596 1.00 0.00 H new ATOM 1285 N MET A 86 -10.412 0.999 -6.414 1.00 0.00 N ATOM 1286 CA MET A 86 -11.513 0.301 -5.761 1.00 0.00 C ATOM 1287 C MET A 86 -11.929 1.019 -4.482 1.00 0.00 C ATOM 1288 O MET A 86 -11.194 1.858 -3.960 1.00 0.00 O ATOM 1289 CB MET A 86 -11.114 -1.142 -5.444 1.00 0.00 C ATOM 1290 CG MET A 86 -10.787 -1.967 -6.677 1.00 0.00 C ATOM 1291 SD MET A 86 -10.617 -3.725 -6.312 1.00 0.00 S ATOM 1292 CE MET A 86 -9.125 -3.722 -5.320 1.00 0.00 C ATOM 0 H MET A 86 -9.715 1.379 -5.774 1.00 0.00 H new ATOM 0 HA MET A 86 -12.362 0.293 -6.445 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.248 -1.134 -4.782 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.926 -1.624 -4.900 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.572 -1.829 -7.421 1.00 0.00 H new ATOM 0 HG3 MET A 86 -9.861 -1.601 -7.119 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.848 -4.748 -5.076 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.317 -3.252 -5.880 1.00 0.00 H new ATOM 0 HE3 MET A 86 -9.301 -3.165 -4.400 1.00 0.00 H new ATOM 1302 N THR A 87 -13.114 0.685 -3.980 1.00 0.00 N ATOM 1303 CA THR A 87 -13.629 1.299 -2.762 1.00 0.00 C ATOM 1304 C THR A 87 -13.451 0.375 -1.563 1.00 0.00 C ATOM 1305 O THR A 87 -13.676 -0.831 -1.657 1.00 0.00 O ATOM 1306 CB THR A 87 -15.120 1.659 -2.902 1.00 0.00 C ATOM 1307 OG1 THR A 87 -15.889 0.476 -3.145 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.333 2.651 -4.036 1.00 0.00 C ATOM 0 H THR A 87 -13.735 -0.007 -4.398 1.00 0.00 H new ATOM 0 HA THR A 87 -13.056 2.212 -2.601 1.00 0.00 H new ATOM 0 HB THR A 87 -15.449 2.120 -1.971 1.00 0.00 H new ATOM 0 HG1 THR A 87 -15.904 0.287 -4.107 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.393 2.890 -4.116 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.770 3.562 -3.833 1.00 0.00 H new ATOM 0 HG23 THR A 87 -14.989 2.212 -4.973 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.047 0.949 -0.434 1.00 0.00 N ATOM 1317 CA GLY A 88 -12.847 0.162 0.769 1.00 0.00 C ATOM 1318 C GLY A 88 -13.852 -0.966 0.897 1.00 0.00 C ATOM 1319 O GLY A 88 -13.499 -2.082 1.281 1.00 0.00 O ATOM 0 H GLY A 88 -12.855 1.945 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.839 -0.252 0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.921 0.812 1.641 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.108 -0.677 0.576 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.168 -1.674 0.657 1.00 0.00 C ATOM 1325 C LYS A 89 -15.902 -2.830 -0.302 1.00 0.00 C ATOM 1326 O LYS A 89 -15.914 -3.994 0.097 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.523 -1.036 0.341 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.700 -1.770 0.959 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.871 -0.834 1.210 1.00 0.00 C ATOM 1330 CE LYS A 89 -21.063 -1.577 1.793 1.00 0.00 C ATOM 1331 NZ LYS A 89 -21.920 -2.171 0.730 1.00 0.00 N ATOM 0 H LYS A 89 -15.417 0.241 0.257 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.187 -2.066 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.521 -0.005 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.655 -1.000 -0.740 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -19.014 -2.578 0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.391 -2.228 1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.565 -0.042 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.162 -0.354 0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.710 -2.365 2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.657 -0.892 2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.721 -2.669 1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.278 -1.416 0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.360 -2.844 0.168 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.662 -2.500 -1.567 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.393 -3.512 -2.582 1.00 0.00 C ATOM 1347 C GLU A 90 -14.178 -4.354 -2.202 1.00 0.00 C ATOM 1348 O GLU A 90 -14.109 -5.541 -2.520 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.164 -2.853 -3.943 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.434 -2.315 -4.581 1.00 0.00 C ATOM 1351 CD GLU A 90 -16.172 -1.596 -5.890 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -16.018 -2.280 -6.923 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -16.120 -0.348 -5.880 1.00 0.00 O ATOM 0 H GLU A 90 -15.648 -1.541 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.262 -4.167 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.452 -2.036 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.709 -3.579 -4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.125 -3.139 -4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.923 -1.631 -3.887 1.00 0.00 H new ATOM 1360 N MET A 91 -13.223 -3.730 -1.520 1.00 0.00 N ATOM 1361 CA MET A 91 -12.012 -4.422 -1.096 1.00 0.00 C ATOM 1362 C MET A 91 -12.311 -5.399 0.037 1.00 0.00 C ATOM 1363 O MET A 91 -11.745 -6.490 0.094 1.00 0.00 O ATOM 1364 CB MET A 91 -10.953 -3.412 -0.647 1.00 0.00 C ATOM 1365 CG MET A 91 -9.596 -4.038 -0.367 1.00 0.00 C ATOM 1366 SD MET A 91 -8.743 -4.549 -1.871 1.00 0.00 S ATOM 1367 CE MET A 91 -7.201 -3.654 -1.706 1.00 0.00 C ATOM 0 H MET A 91 -13.264 -2.747 -1.250 1.00 0.00 H new ATOM 0 HA MET A 91 -11.630 -4.986 -1.947 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.840 -2.649 -1.418 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.303 -2.906 0.253 1.00 0.00 H new ATOM 0 HG2 MET A 91 -8.975 -3.323 0.173 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.726 -4.903 0.284 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.639 -3.723 -2.637 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.410 -2.607 -1.485 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.614 -4.086 -0.895 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.205 -4.999 0.936 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.580 -5.840 2.066 1.00 0.00 C ATOM 1379 C ALA A 92 -14.588 -6.906 1.646 1.00 0.00 C ATOM 1380 O ALA A 92 -14.672 -7.970 2.258 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.148 -4.989 3.192 1.00 0.00 C ATOM 0 H ALA A 92 -13.683 -4.098 0.903 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.683 -6.345 2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.424 -5.630 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.397 -4.269 3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.030 -4.457 2.836 1.00 0.00 H new ATOM 1387 N SER A 93 -15.351 -6.611 0.598 1.00 0.00 N ATOM 1388 CA SER A 93 -16.357 -7.542 0.099 1.00 0.00 C ATOM 1389 C SER A 93 -15.726 -8.577 -0.828 1.00 0.00 C ATOM 1390 O SER A 93 -15.909 -9.781 -0.649 1.00 0.00 O ATOM 1391 CB SER A 93 -17.462 -6.785 -0.639 1.00 0.00 C ATOM 1392 OG SER A 93 -18.310 -7.677 -1.341 1.00 0.00 O ATOM 0 H SER A 93 -15.292 -5.735 0.078 1.00 0.00 H new ATOM 0 HA SER A 93 -16.792 -8.062 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.049 -6.206 0.074 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.017 -6.076 -1.337 1.00 0.00 H new ATOM 0 HG SER A 93 -19.009 -7.169 -1.803 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.983 -8.098 -1.820 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.324 -8.979 -2.777 1.00 0.00 C ATOM 1400 C VAL A 94 -13.540 -10.076 -2.063 1.00 0.00 C ATOM 1401 O VAL A 94 -13.064 -9.886 -0.945 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.369 -8.196 -3.697 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -12.069 -7.881 -2.973 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -13.101 -8.976 -4.975 1.00 0.00 C ATOM 0 H VAL A 94 -14.822 -7.104 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.109 -9.432 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.845 -7.253 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.407 -7.328 -3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.281 -7.279 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.586 -8.810 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.424 -8.408 -5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.646 -9.935 -4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -14.040 -9.145 -5.502 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.409 -11.225 -2.720 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.682 -12.335 -2.133 1.00 0.00 C ATOM 1416 C GLY A 95 -11.180 -12.189 -2.285 1.00 0.00 C ATOM 1417 O GLY A 95 -10.421 -12.567 -1.393 1.00 0.00 O ATOM 0 H GLY A 95 -13.793 -11.406 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.932 -12.410 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.003 -13.265 -2.603 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.752 -11.641 -3.418 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.331 -11.449 -3.683 1.00 0.00 C ATOM 1423 C GLU A 96 -9.120 -10.498 -4.857 1.00 0.00 C ATOM 1424 O GLU A 96 -9.732 -10.635 -5.917 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.658 -12.792 -3.973 1.00 0.00 C ATOM 1426 CG GLU A 96 -7.148 -12.766 -3.802 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.508 -14.115 -4.063 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.480 -14.541 -5.237 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -6.034 -14.746 -3.095 1.00 0.00 O ATOM 0 H GLU A 96 -11.368 -11.323 -4.166 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.878 -11.008 -2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.077 -13.549 -3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.894 -13.095 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.722 -12.028 -4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.906 -12.443 -2.789 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.234 -9.509 -4.666 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.922 -8.515 -5.697 1.00 0.00 C ATOM 1438 C PRO A 97 -7.147 -9.116 -6.865 1.00 0.00 C ATOM 1439 O PRO A 97 -6.711 -10.266 -6.807 1.00 0.00 O ATOM 1440 CB PRO A 97 -7.060 -7.492 -4.954 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.450 -8.255 -3.829 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.469 -9.286 -3.428 1.00 0.00 C ATOM 0 HA PRO A 97 -8.823 -8.091 -6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.296 -7.070 -5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.661 -6.660 -4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.518 -8.727 -4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.212 -7.596 -2.994 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.996 -10.203 -3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.107 -8.927 -2.620 1.00 0.00 H new ATOM 1450 N ASP A 98 -6.979 -8.331 -7.924 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.255 -8.785 -9.105 1.00 0.00 C ATOM 1452 C ASP A 98 -4.802 -8.322 -9.063 1.00 0.00 C ATOM 1453 O ASP A 98 -4.520 -7.142 -8.855 1.00 0.00 O ATOM 1454 CB ASP A 98 -6.932 -8.266 -10.375 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.469 -9.000 -11.618 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -5.243 -9.169 -11.785 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -7.333 -9.404 -12.425 1.00 0.00 O ATOM 0 H ASP A 98 -7.335 -7.377 -7.988 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.270 -9.875 -9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.012 -8.370 -10.276 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.723 -7.202 -10.486 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.882 -9.260 -9.261 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.457 -8.950 -9.246 1.00 0.00 C ATOM 1464 C LYS A 99 -2.158 -7.723 -10.101 1.00 0.00 C ATOM 1465 O LYS A 99 -1.452 -6.810 -9.670 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.649 -10.147 -9.753 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.146 -9.928 -9.709 1.00 0.00 C ATOM 1468 CD LYS A 99 0.373 -9.908 -8.281 1.00 0.00 C ATOM 1469 CE LYS A 99 0.749 -11.303 -7.805 1.00 0.00 C ATOM 1470 NZ LYS A 99 1.761 -11.263 -6.714 1.00 0.00 N ATOM 0 H LYS A 99 -4.098 -10.242 -9.434 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.168 -8.733 -8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.898 -11.023 -9.154 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.946 -10.367 -10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.354 -10.719 -10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.100 -8.986 -10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.243 -9.254 -8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.388 -9.490 -7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.144 -11.820 -7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.141 -11.879 -8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.990 -12.233 -6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.623 -10.793 -7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.378 -10.735 -5.904 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.701 -7.705 -11.313 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.494 -6.588 -12.228 1.00 0.00 C ATOM 1486 C LEU A 100 -2.940 -5.275 -11.594 1.00 0.00 C ATOM 1487 O LEU A 100 -2.114 -4.440 -11.226 1.00 0.00 O ATOM 1488 CB LEU A 100 -3.259 -6.823 -13.532 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.506 -7.586 -14.623 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.478 -8.138 -15.655 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -1.473 -6.688 -15.287 1.00 0.00 C ATOM 0 H LEU A 100 -3.288 -8.451 -11.685 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.428 -6.522 -12.446 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.174 -7.369 -13.300 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.558 -5.855 -13.934 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.984 -8.424 -14.160 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.925 -8.678 -16.424 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.179 -8.816 -15.168 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.028 -7.316 -16.113 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.947 -7.248 -16.060 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.972 -5.830 -15.737 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.758 -6.342 -14.540 1.00 0.00 H new ATOM 1503 N SER A 101 -4.251 -5.100 -11.467 1.00 0.00 N ATOM 1504 CA SER A 101 -4.807 -3.887 -10.878 1.00 0.00 C ATOM 1505 C SER A 101 -4.002 -3.458 -9.655 1.00 0.00 C ATOM 1506 O SER A 101 -3.532 -2.324 -9.575 1.00 0.00 O ATOM 1507 CB SER A 101 -6.270 -4.109 -10.487 1.00 0.00 C ATOM 1508 OG SER A 101 -6.378 -5.035 -9.421 1.00 0.00 O ATOM 0 H SER A 101 -4.948 -5.783 -11.764 1.00 0.00 H new ATOM 0 HA SER A 101 -4.753 -3.093 -11.623 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.720 -3.160 -10.195 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.828 -4.475 -11.349 1.00 0.00 H new ATOM 0 HG SER A 101 -7.322 -5.158 -9.189 1.00 0.00 H new ATOM 1514 N MET A 102 -3.848 -4.375 -8.705 1.00 0.00 N ATOM 1515 CA MET A 102 -3.098 -4.093 -7.486 1.00 0.00 C ATOM 1516 C MET A 102 -1.728 -3.509 -7.813 1.00 0.00 C ATOM 1517 O MET A 102 -1.423 -2.373 -7.449 1.00 0.00 O ATOM 1518 CB MET A 102 -2.937 -5.367 -6.655 1.00 0.00 C ATOM 1519 CG MET A 102 -4.222 -5.819 -5.981 1.00 0.00 C ATOM 1520 SD MET A 102 -4.926 -4.553 -4.907 1.00 0.00 S ATOM 1521 CE MET A 102 -3.595 -4.329 -3.730 1.00 0.00 C ATOM 0 H MET A 102 -4.232 -5.319 -8.756 1.00 0.00 H new ATOM 0 HA MET A 102 -3.657 -3.358 -6.907 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.573 -6.168 -7.299 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.176 -5.200 -5.893 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.952 -6.090 -6.744 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.024 -6.717 -5.396 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.991 -3.900 -2.810 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.136 -5.293 -3.512 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.846 -3.658 -4.151 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.905 -4.292 -8.503 1.00 0.00 N ATOM 1532 CA VAL A 103 0.433 -3.852 -8.880 1.00 0.00 C ATOM 1533 C VAL A 103 0.395 -2.475 -9.533 1.00 0.00 C ATOM 1534 O VAL A 103 1.058 -1.543 -9.077 1.00 0.00 O ATOM 1535 CB VAL A 103 1.100 -4.848 -9.848 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.423 -4.295 -10.355 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.301 -6.195 -9.170 1.00 0.00 C ATOM 0 H VAL A 103 -1.141 -5.235 -8.812 1.00 0.00 H new ATOM 0 HA VAL A 103 1.019 -3.800 -7.962 1.00 0.00 H new ATOM 0 HB VAL A 103 0.442 -4.992 -10.705 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.880 -5.012 -11.037 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.248 -3.356 -10.880 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.091 -4.120 -9.512 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.773 -6.887 -9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.939 -6.070 -8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.335 -6.594 -8.861 1.00 0.00 H new ATOM 1547 N MET A 104 -0.385 -2.354 -10.601 1.00 0.00 N ATOM 1548 CA MET A 104 -0.511 -1.089 -11.316 1.00 0.00 C ATOM 1549 C MET A 104 -0.818 0.052 -10.351 1.00 0.00 C ATOM 1550 O MET A 104 -0.038 0.997 -10.224 1.00 0.00 O ATOM 1551 CB MET A 104 -1.610 -1.185 -12.376 1.00 0.00 C ATOM 1552 CG MET A 104 -1.245 -2.081 -13.549 1.00 0.00 C ATOM 1553 SD MET A 104 -2.264 -1.769 -15.004 1.00 0.00 S ATOM 1554 CE MET A 104 -3.744 -2.687 -14.584 1.00 0.00 C ATOM 0 H MET A 104 -0.940 -3.116 -10.991 1.00 0.00 H new ATOM 0 HA MET A 104 0.440 -0.881 -11.807 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.521 -1.562 -11.911 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.833 -0.185 -12.748 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.196 -1.929 -13.805 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.352 -3.124 -13.252 1.00 0.00 H new ATOM 0 HE1 MET A 104 -4.011 -3.345 -15.411 1.00 0.00 H new ATOM 0 HE2 MET A 104 -3.561 -3.283 -13.690 1.00 0.00 H new ATOM 0 HE3 MET A 104 -4.562 -1.992 -14.396 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.957 -0.041 -9.675 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.368 0.985 -8.724 1.00 0.00 C ATOM 1566 C TYR A 105 -1.230 1.327 -7.767 1.00 0.00 C ATOM 1567 O TYR A 105 -0.760 2.465 -7.723 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.591 0.518 -7.933 1.00 0.00 C ATOM 1569 CG TYR A 105 -4.019 1.484 -6.853 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.552 2.726 -7.175 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.892 1.155 -5.509 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.944 3.613 -6.190 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -4.282 2.035 -4.517 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.807 3.262 -4.863 1.00 0.00 C ATOM 1575 OH TYR A 105 -5.197 4.142 -3.880 1.00 0.00 O ATOM 0 H TYR A 105 -2.613 -0.817 -9.768 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.629 1.882 -9.286 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.422 0.365 -8.622 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.372 -0.448 -7.478 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.662 3.003 -8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.481 0.195 -5.235 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.355 4.575 -6.458 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.176 1.763 -3.477 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.404 4.522 -3.448 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.791 0.334 -7.001 1.00 0.00 N ATOM 1586 CA LEU A 106 0.293 0.527 -6.044 1.00 0.00 C ATOM 1587 C LEU A 106 1.457 1.277 -6.683 1.00 0.00 C ATOM 1588 O LEU A 106 1.959 2.256 -6.130 1.00 0.00 O ATOM 1589 CB LEU A 106 0.773 -0.823 -5.508 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.272 -1.664 -4.774 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.153 -3.123 -4.730 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.495 -1.129 -3.367 1.00 0.00 C ATOM 0 H LEU A 106 -1.169 -0.613 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.089 1.125 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.158 -1.407 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.609 -0.646 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.213 -1.597 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.603 -3.706 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.261 -3.501 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.106 -3.209 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.242 -1.740 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.442 -1.165 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.845 -0.098 -3.421 1.00 0.00 H new ATOM 1604 N THR A 107 1.882 0.812 -7.854 1.00 0.00 N ATOM 1605 CA THR A 107 2.986 1.438 -8.570 1.00 0.00 C ATOM 1606 C THR A 107 2.937 2.956 -8.437 1.00 0.00 C ATOM 1607 O THR A 107 3.969 3.625 -8.481 1.00 0.00 O ATOM 1608 CB THR A 107 2.971 1.065 -10.064 1.00 0.00 C ATOM 1609 OG1 THR A 107 2.877 -0.357 -10.213 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.224 1.571 -10.762 1.00 0.00 C ATOM 0 H THR A 107 1.478 0.003 -8.326 1.00 0.00 H new ATOM 0 HA THR A 107 3.906 1.065 -8.119 1.00 0.00 H new ATOM 0 HB THR A 107 2.103 1.537 -10.524 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.936 -0.628 -10.180 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.190 1.295 -11.816 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.277 2.656 -10.672 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.104 1.125 -10.299 1.00 0.00 H new ATOM 1618 N GLN A 108 1.732 3.492 -8.273 1.00 0.00 N ATOM 1619 CA GLN A 108 1.550 4.932 -8.133 1.00 0.00 C ATOM 1620 C GLN A 108 2.231 5.447 -6.869 1.00 0.00 C ATOM 1621 O GLN A 108 2.939 6.453 -6.898 1.00 0.00 O ATOM 1622 CB GLN A 108 0.061 5.279 -8.102 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.663 4.972 -9.403 1.00 0.00 C ATOM 1624 CD GLN A 108 -2.091 5.480 -9.411 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -3.029 4.615 -9.044 1.00 0.00 O flip ATOM 1626 NE2 GLN A 108 -2.348 6.638 -9.743 1.00 0.00 N flip ATOM 0 H GLN A 108 0.868 2.951 -8.234 1.00 0.00 H new ATOM 0 HA GLN A 108 2.010 5.416 -8.994 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.415 4.727 -7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -0.052 6.339 -7.875 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.117 5.421 -10.233 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.664 3.895 -9.568 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.595 7.269 -10.018 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -3.314 6.966 -9.743 1.00 0.00 H new ATOM 1635 N PHE A 109 2.010 4.750 -5.759 1.00 0.00 N ATOM 1636 CA PHE A 109 2.601 5.137 -4.483 1.00 0.00 C ATOM 1637 C PHE A 109 4.119 4.980 -4.517 1.00 0.00 C ATOM 1638 O PHE A 109 4.854 5.843 -4.037 1.00 0.00 O ATOM 1639 CB PHE A 109 2.015 4.295 -3.349 1.00 0.00 C ATOM 1640 CG PHE A 109 0.573 4.599 -3.060 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.428 4.138 -3.901 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.217 5.346 -1.948 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.756 4.418 -3.638 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -1.109 5.628 -1.680 1.00 0.00 C ATOM 1645 CZ PHE A 109 -2.097 5.162 -2.525 1.00 0.00 C ATOM 0 H PHE A 109 1.426 3.915 -5.717 1.00 0.00 H new ATOM 0 HA PHE A 109 2.366 6.186 -4.305 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.112 3.240 -3.604 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.601 4.460 -2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.168 3.554 -4.771 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.985 5.712 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.526 4.055 -4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.372 6.212 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.134 5.379 -2.316 1.00 0.00 H new ATOM 1655 N TYR A 110 4.580 3.871 -5.085 1.00 0.00 N ATOM 1656 CA TYR A 110 6.009 3.598 -5.179 1.00 0.00 C ATOM 1657 C TYR A 110 6.718 4.676 -5.994 1.00 0.00 C ATOM 1658 O TYR A 110 7.590 5.380 -5.486 1.00 0.00 O ATOM 1659 CB TYR A 110 6.247 2.226 -5.811 1.00 0.00 C ATOM 1660 CG TYR A 110 7.561 2.119 -6.551 1.00 0.00 C ATOM 1661 CD1 TYR A 110 8.743 1.851 -5.872 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.621 2.286 -7.929 1.00 0.00 C ATOM 1663 CE1 TYR A 110 9.947 1.754 -6.543 1.00 0.00 C ATOM 1664 CE2 TYR A 110 8.820 2.189 -8.609 1.00 0.00 C ATOM 1665 CZ TYR A 110 9.979 1.923 -7.912 1.00 0.00 C ATOM 1666 OH TYR A 110 11.176 1.826 -8.585 1.00 0.00 O ATOM 0 H TYR A 110 3.985 3.147 -5.487 1.00 0.00 H new ATOM 0 HA TYR A 110 6.421 3.602 -4.170 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.216 1.466 -5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.432 2.007 -6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.720 1.716 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.715 2.495 -8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.857 1.547 -5.999 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.849 2.321 -9.681 1.00 0.00 H new ATOM 0 HH TYR A 110 11.005 1.730 -9.545 1.00 0.00 H new ATOM 1676 N GLU A 111 6.334 4.798 -7.261 1.00 0.00 N ATOM 1677 CA GLU A 111 6.933 5.790 -8.147 1.00 0.00 C ATOM 1678 C GLU A 111 6.874 7.181 -7.524 1.00 0.00 C ATOM 1679 O GLU A 111 7.663 8.061 -7.869 1.00 0.00 O ATOM 1680 CB GLU A 111 6.219 5.794 -9.500 1.00 0.00 C ATOM 1681 CG GLU A 111 6.525 4.575 -10.354 1.00 0.00 C ATOM 1682 CD GLU A 111 6.369 4.847 -11.837 1.00 0.00 C ATOM 1683 OE1 GLU A 111 6.939 5.848 -12.319 1.00 0.00 O ATOM 1684 OE2 GLU A 111 5.677 4.060 -12.516 1.00 0.00 O ATOM 0 H GLU A 111 5.612 4.224 -7.696 1.00 0.00 H new ATOM 0 HA GLU A 111 7.979 5.522 -8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.143 5.849 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.503 6.692 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.544 4.243 -10.155 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.862 3.759 -10.066 1.00 0.00 H new ATOM 1691 N MET A 112 5.933 7.373 -6.605 1.00 0.00 N ATOM 1692 CA MET A 112 5.772 8.657 -5.934 1.00 0.00 C ATOM 1693 C MET A 112 6.813 8.830 -4.833 1.00 0.00 C ATOM 1694 O MET A 112 7.182 9.952 -4.484 1.00 0.00 O ATOM 1695 CB MET A 112 4.365 8.776 -5.344 1.00 0.00 C ATOM 1696 CG MET A 112 4.076 10.135 -4.729 1.00 0.00 C ATOM 1697 SD MET A 112 3.374 11.299 -5.913 1.00 0.00 S ATOM 1698 CE MET A 112 1.623 11.002 -5.683 1.00 0.00 C ATOM 0 H MET A 112 5.271 6.656 -6.308 1.00 0.00 H new ATOM 0 HA MET A 112 5.916 9.445 -6.673 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.634 8.578 -6.128 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.233 8.007 -4.583 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.386 10.012 -3.894 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.999 10.549 -4.322 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.121 11.019 -6.650 1.00 0.00 H new ATOM 0 HE2 MET A 112 1.477 10.028 -5.215 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.203 11.778 -5.043 1.00 0.00 H new ATOM 1708 N PHE A 113 7.283 7.712 -4.288 1.00 0.00 N ATOM 1709 CA PHE A 113 8.281 7.741 -3.226 1.00 0.00 C ATOM 1710 C PHE A 113 9.428 6.782 -3.531 1.00 0.00 C ATOM 1711 O PHE A 113 10.057 6.238 -2.623 1.00 0.00 O ATOM 1712 CB PHE A 113 7.640 7.376 -1.885 1.00 0.00 C ATOM 1713 CG PHE A 113 6.463 8.239 -1.529 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.534 9.617 -1.655 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.286 7.672 -1.069 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.453 10.413 -1.328 1.00 0.00 C ATOM 1717 CE2 PHE A 113 4.201 8.463 -0.740 1.00 0.00 C ATOM 1718 CZ PHE A 113 4.284 9.835 -0.871 1.00 0.00 C ATOM 0 H PHE A 113 6.988 6.775 -4.565 1.00 0.00 H new ATOM 0 HA PHE A 113 8.682 8.753 -3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.321 6.334 -1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.391 7.456 -1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.445 10.074 -2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.215 6.599 -0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.522 11.486 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.290 8.008 -0.381 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.437 10.455 -0.617 1.00 0.00 H new ATOM 1728 N LYS A 114 9.695 6.578 -4.817 1.00 0.00 N ATOM 1729 CA LYS A 114 10.765 5.686 -5.245 1.00 0.00 C ATOM 1730 C LYS A 114 12.118 6.387 -5.175 1.00 0.00 C ATOM 1731 O LYS A 114 13.108 5.803 -4.734 1.00 0.00 O ATOM 1732 CB LYS A 114 10.507 5.193 -6.670 1.00 0.00 C ATOM 1733 CG LYS A 114 10.371 6.315 -7.686 1.00 0.00 C ATOM 1734 CD LYS A 114 10.237 5.773 -9.099 1.00 0.00 C ATOM 1735 CE LYS A 114 11.597 5.515 -9.728 1.00 0.00 C ATOM 1736 NZ LYS A 114 12.175 4.216 -9.285 1.00 0.00 N ATOM 0 H LYS A 114 9.184 7.019 -5.581 1.00 0.00 H new ATOM 0 HA LYS A 114 10.783 4.831 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.324 4.537 -6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.597 4.593 -6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 114 9.499 6.923 -7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.241 6.968 -7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.661 4.848 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.681 6.483 -9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.502 5.519 -10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.278 6.324 -9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.724 3.797 -10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.798 4.374 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.407 3.569 -9.015 1.00 0.00 H new ATOM 1750 N ASP A 115 12.153 7.641 -5.611 1.00 0.00 N ATOM 1751 CA ASP A 115 13.384 8.423 -5.595 1.00 0.00 C ATOM 1752 C ASP A 115 13.884 8.621 -4.168 1.00 0.00 C ATOM 1753 O ASP A 115 15.057 8.394 -3.873 1.00 0.00 O ATOM 1754 CB ASP A 115 13.160 9.781 -6.263 1.00 0.00 C ATOM 1755 CG ASP A 115 12.382 9.667 -7.559 1.00 0.00 C ATOM 1756 OD1 ASP A 115 12.668 8.739 -8.344 1.00 0.00 O ATOM 1757 OD2 ASP A 115 11.485 10.506 -7.788 1.00 0.00 O ATOM 0 H ASP A 115 11.343 8.138 -5.980 1.00 0.00 H new ATOM 0 HA ASP A 115 14.142 7.873 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.623 10.436 -5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.124 10.249 -6.461 1.00 0.00 H new ATOM 1762 N SER A 116 12.985 9.045 -3.285 1.00 0.00 N ATOM 1763 CA SER A 116 13.336 9.279 -1.889 1.00 0.00 C ATOM 1764 C SER A 116 14.277 8.192 -1.376 1.00 0.00 C ATOM 1765 O SER A 116 14.169 7.029 -1.762 1.00 0.00 O ATOM 1766 CB SER A 116 12.075 9.326 -1.025 1.00 0.00 C ATOM 1767 OG SER A 116 12.399 9.519 0.341 1.00 0.00 O ATOM 0 H SER A 116 12.009 9.233 -3.512 1.00 0.00 H new ATOM 0 HA SER A 116 13.848 10.239 -1.825 1.00 0.00 H new ATOM 0 HB2 SER A 116 11.427 10.133 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 116 11.516 8.398 -1.142 1.00 0.00 H new ATOM 0 HG SER A 116 11.673 10.007 0.784 1.00 0.00 H new ATOM 1773 N GLY A 117 15.201 8.582 -0.504 1.00 0.00 N ATOM 1774 CA GLY A 117 16.148 7.631 0.048 1.00 0.00 C ATOM 1775 C GLY A 117 17.534 7.780 -0.548 1.00 0.00 C ATOM 1776 O GLY A 117 17.977 8.882 -0.874 1.00 0.00 O ATOM 0 H GLY A 117 15.311 9.539 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 117 16.204 7.764 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 117 15.786 6.618 -0.130 1.00 0.00 H new ATOM 1780 N PRO A 118 18.244 6.652 -0.696 1.00 0.00 N ATOM 1781 CA PRO A 118 19.598 6.637 -1.256 1.00 0.00 C ATOM 1782 C PRO A 118 19.613 6.958 -2.747 1.00 0.00 C ATOM 1783 O PRO A 118 18.627 6.734 -3.449 1.00 0.00 O ATOM 1784 CB PRO A 118 20.066 5.199 -1.014 1.00 0.00 C ATOM 1785 CG PRO A 118 18.811 4.400 -0.943 1.00 0.00 C ATOM 1786 CD PRO A 118 17.778 5.304 -0.329 1.00 0.00 C ATOM 0 HA PRO A 118 20.237 7.391 -0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 118 20.712 4.852 -1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 118 20.639 5.119 -0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 118 18.501 4.071 -1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 118 18.953 3.503 -0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 118 16.782 5.102 -0.723 1.00 0.00 H new ATOM 0 HD3 PRO A 118 17.725 5.178 0.752 1.00 0.00 H new ATOM 1794 N SER A 119 20.737 7.483 -3.223 1.00 0.00 N ATOM 1795 CA SER A 119 20.879 7.838 -4.630 1.00 0.00 C ATOM 1796 C SER A 119 21.648 6.760 -5.388 1.00 0.00 C ATOM 1797 O SER A 119 22.694 6.295 -4.937 1.00 0.00 O ATOM 1798 CB SER A 119 21.594 9.183 -4.769 1.00 0.00 C ATOM 1799 OG SER A 119 20.952 10.184 -3.999 1.00 0.00 O ATOM 0 H SER A 119 21.563 7.672 -2.655 1.00 0.00 H new ATOM 0 HA SER A 119 19.881 7.919 -5.061 1.00 0.00 H new ATOM 0 HB2 SER A 119 22.631 9.082 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 119 21.612 9.482 -5.817 1.00 0.00 H new ATOM 0 HG SER A 119 21.429 11.034 -4.104 1.00 0.00 H new ATOM 1805 N SER A 120 21.120 6.367 -6.543 1.00 0.00 N ATOM 1806 CA SER A 120 21.754 5.341 -7.363 1.00 0.00 C ATOM 1807 C SER A 120 21.711 5.723 -8.840 1.00 0.00 C ATOM 1808 O SER A 120 20.641 5.811 -9.439 1.00 0.00 O ATOM 1809 CB SER A 120 21.063 3.992 -7.154 1.00 0.00 C ATOM 1810 OG SER A 120 21.411 3.430 -5.900 1.00 0.00 O ATOM 0 H SER A 120 20.255 6.743 -6.932 1.00 0.00 H new ATOM 0 HA SER A 120 22.797 5.259 -7.056 1.00 0.00 H new ATOM 0 HB2 SER A 120 19.982 4.121 -7.211 1.00 0.00 H new ATOM 0 HB3 SER A 120 21.345 3.307 -7.954 1.00 0.00 H new ATOM 0 HG SER A 120 20.955 2.569 -5.789 1.00 0.00 H new ATOM 1816 N GLY A 121 22.886 5.949 -9.420 1.00 0.00 N ATOM 1817 CA GLY A 121 22.962 6.319 -10.821 1.00 0.00 C ATOM 1818 C GLY A 121 24.212 5.788 -11.494 1.00 0.00 C ATOM 1819 O GLY A 121 24.134 4.945 -12.387 1.00 0.00 O ATOM 0 H GLY A 121 23.786 5.882 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 121 22.083 5.939 -11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 121 22.940 7.405 -10.908 1.00 0.00 H new TER 1823 GLY A 121