USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 728 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 11 SER OG : rot 78:sc= 0.373 USER MOD Set 1.2: A 12 ASN : amide:sc= -3.08! C(o=-2.7!,f=-4.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc=-0.00182 K(o=-0.0018,f=-1.2!) USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= -3.19! (180deg=-3.33!) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.997! F(o=-2.4,f=-1!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.8! USER MOD Single : A 16 ASN : amide:sc= 0.0461 K(o=0.046,f=-5.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 30:sc= -0.102 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0701 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.494 F(o=-1.3,f=-0.49) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -102:sc= 0.0511 USER MOD Single : A 47 TYR OH : rot 0:sc= -0.084 USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0364) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -155:sc= -0.959 (180deg=-2.01!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.58 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00422 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.374 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.39 K(o=-2.4,f=-6.8!) USER MOD Single : A 69 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.9!) USER MOD Single : A 71 SER OG : rot 64:sc= -0.927 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 41:sc= 1.15 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 130:sc= -0.477 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 85 MET CE :methyl -131:sc= -0.13 (180deg=-2.45!) USER MOD Single : A 87 LYS NZ :NH3+ 168:sc= -0.489 (180deg=-0.675) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -17:sc= 0.429! USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -4.38! C(o=-4.4!,f=-10!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.930 1.274 1.945 1.00 34.43 N ATOM 2 CA GLY A 1 2.323 1.273 0.548 1.00 31.34 C ATOM 3 C GLY A 1 3.103 0.030 0.166 1.00 13.35 C ATOM 4 O GLY A 1 2.567 -1.077 0.187 1.00 25.22 O ATOM 0 H1 GLY A 1 1.400 2.144 2.156 1.00 34.43 H new ATOM 0 H2 GLY A 1 1.329 0.447 2.137 1.00 34.43 H new ATOM 0 H3 GLY A 1 2.779 1.232 2.544 1.00 34.43 H new ATOM 0 HA2 GLY A 1 1.433 1.346 -0.077 1.00 31.34 H new ATOM 0 HA3 GLY A 1 2.929 2.156 0.344 1.00 31.34 H new ATOM 8 N ASN A 2 4.371 0.214 -0.185 1.00 2.41 N ATOM 9 CA ASN A 2 5.226 -0.901 -0.576 1.00 33.02 C ATOM 10 C ASN A 2 6.321 -1.136 0.460 1.00 42.03 C ATOM 11 O ASN A 2 6.387 -0.446 1.478 1.00 74.55 O ATOM 12 CB ASN A 2 5.852 -0.635 -1.946 1.00 41.11 C ATOM 13 CG ASN A 2 4.837 -0.710 -3.070 1.00 61.13 C ATOM 14 OD1 ASN A 2 3.810 -1.378 -2.950 1.00 53.33 O ATOM 15 ND2 ASN A 2 5.122 -0.024 -4.171 1.00 14.41 N ATOM 0 H ASN A 2 4.830 1.125 -0.207 1.00 2.41 H new ATOM 0 HA ASN A 2 4.608 -1.797 -0.635 1.00 33.02 H new ATOM 0 HB2 ASN A 2 6.316 0.351 -1.945 1.00 41.11 H new ATOM 0 HB3 ASN A 2 6.645 -1.361 -2.127 1.00 41.11 H new ATOM 0 HD21 ASN A 2 4.477 -0.037 -4.961 1.00 14.41 H new ATOM 0 HD22 ASN A 2 5.985 0.516 -4.226 1.00 14.41 H new ATOM 22 N VAL A 3 7.181 -2.114 0.192 1.00 32.03 N ATOM 23 CA VAL A 3 8.275 -2.439 1.099 1.00 30.44 C ATOM 24 C VAL A 3 9.627 -2.229 0.427 1.00 0.23 C ATOM 25 O VAL A 3 10.024 -2.998 -0.449 1.00 74.03 O ATOM 26 CB VAL A 3 8.181 -3.895 1.593 1.00 33.31 C ATOM 27 CG1 VAL A 3 7.187 -4.007 2.739 1.00 32.41 C ATOM 28 CG2 VAL A 3 7.795 -4.821 0.450 1.00 70.35 C ATOM 0 H VAL A 3 7.141 -2.695 -0.646 1.00 32.03 H new ATOM 0 HA VAL A 3 8.188 -1.767 1.953 1.00 30.44 H new ATOM 0 HB VAL A 3 9.160 -4.199 1.962 1.00 33.31 H new ATOM 0 HG11 VAL A 3 7.134 -5.043 3.075 1.00 32.41 H new ATOM 0 HG12 VAL A 3 7.511 -3.374 3.565 1.00 32.41 H new ATOM 0 HG13 VAL A 3 6.203 -3.685 2.400 1.00 32.41 H new ATOM 0 HG21 VAL A 3 7.733 -5.846 0.817 1.00 70.35 H new ATOM 0 HG22 VAL A 3 6.827 -4.520 0.049 1.00 70.35 H new ATOM 0 HG23 VAL A 3 8.548 -4.762 -0.336 1.00 70.35 H new ATOM 38 N LEU A 4 10.332 -1.182 0.843 1.00 34.44 N ATOM 39 CA LEU A 4 11.641 -0.870 0.282 1.00 4.32 C ATOM 40 C LEU A 4 12.649 -0.568 1.387 1.00 62.33 C ATOM 41 O LEU A 4 12.291 -0.054 2.446 1.00 15.22 O ATOM 42 CB LEU A 4 11.539 0.323 -0.670 1.00 14.33 C ATOM 43 CG LEU A 4 10.547 1.416 -0.271 1.00 54.51 C ATOM 44 CD1 LEU A 4 11.010 2.771 -0.784 1.00 63.00 C ATOM 45 CD2 LEU A 4 9.156 1.092 -0.797 1.00 50.43 C ATOM 0 H LEU A 4 10.018 -0.535 1.567 1.00 34.44 H new ATOM 0 HA LEU A 4 11.988 -1.742 -0.273 1.00 4.32 H new ATOM 0 HB2 LEU A 4 12.527 0.773 -0.763 1.00 14.33 H new ATOM 0 HB3 LEU A 4 11.263 -0.048 -1.657 1.00 14.33 H new ATOM 0 HG LEU A 4 10.502 1.459 0.817 1.00 54.51 H new ATOM 0 HD11 LEU A 4 10.291 3.536 -0.490 1.00 63.00 H new ATOM 0 HD12 LEU A 4 11.986 3.007 -0.359 1.00 63.00 H new ATOM 0 HD13 LEU A 4 11.085 2.742 -1.871 1.00 63.00 H new ATOM 0 HD21 LEU A 4 8.463 1.881 -0.504 1.00 50.43 H new ATOM 0 HD22 LEU A 4 9.186 1.021 -1.884 1.00 50.43 H new ATOM 0 HD23 LEU A 4 8.822 0.142 -0.380 1.00 50.43 H new ATOM 57 N LYS A 5 13.913 -0.890 1.131 1.00 11.13 N ATOM 58 CA LYS A 5 14.975 -0.651 2.101 1.00 12.14 C ATOM 59 C LYS A 5 16.339 -0.988 1.509 1.00 43.45 C ATOM 60 O LYS A 5 17.116 -0.096 1.170 1.00 62.01 O ATOM 61 CB LYS A 5 14.737 -1.482 3.364 1.00 15.23 C ATOM 62 CG LYS A 5 15.859 -1.377 4.382 1.00 12.43 C ATOM 63 CD LYS A 5 15.566 -0.313 5.427 1.00 10.11 C ATOM 64 CE LYS A 5 16.201 -0.657 6.766 1.00 42.43 C ATOM 65 NZ LYS A 5 16.515 0.563 7.560 1.00 11.23 N ATOM 0 H LYS A 5 14.227 -1.317 0.260 1.00 11.13 H new ATOM 0 HA LYS A 5 14.963 0.407 2.361 1.00 12.14 H new ATOM 0 HB2 LYS A 5 13.805 -1.162 3.829 1.00 15.23 H new ATOM 0 HB3 LYS A 5 14.610 -2.527 3.082 1.00 15.23 H new ATOM 0 HG2 LYS A 5 15.998 -2.341 4.872 1.00 12.43 H new ATOM 0 HG3 LYS A 5 16.793 -1.140 3.872 1.00 12.43 H new ATOM 0 HD2 LYS A 5 15.941 0.650 5.082 1.00 10.11 H new ATOM 0 HD3 LYS A 5 14.488 -0.210 5.550 1.00 10.11 H new ATOM 0 HE2 LYS A 5 15.526 -1.297 7.335 1.00 42.43 H new ATOM 0 HE3 LYS A 5 17.115 -1.227 6.599 1.00 42.43 H new ATOM 0 HZ1 LYS A 5 17.137 0.310 8.354 1.00 11.23 H new ATOM 0 HZ2 LYS A 5 16.994 1.258 6.953 1.00 11.23 H new ATOM 0 HZ3 LYS A 5 15.633 0.974 7.928 1.00 11.23 H new ATOM 79 N ASN A 6 16.623 -2.280 1.385 1.00 60.22 N ATOM 80 CA ASN A 6 17.894 -2.734 0.832 1.00 72.24 C ATOM 81 C ASN A 6 17.971 -2.442 -0.664 1.00 4.01 C ATOM 82 O ASN A 6 16.950 -2.365 -1.345 1.00 41.12 O ATOM 83 CB ASN A 6 18.076 -4.233 1.080 1.00 54.11 C ATOM 84 CG ASN A 6 18.793 -4.925 -0.063 1.00 32.52 C ATOM 85 OD1 ASN A 6 20.119 -4.864 -0.052 1.00 43.31 O flip ATOM 86 ND2 ASN A 6 18.161 -5.509 -0.944 1.00 63.24 N flip ATOM 0 H ASN A 6 15.990 -3.031 1.660 1.00 60.22 H new ATOM 0 HA ASN A 6 18.695 -2.190 1.333 1.00 72.24 H new ATOM 0 HB2 ASN A 6 18.640 -4.380 2.001 1.00 54.11 H new ATOM 0 HB3 ASN A 6 17.100 -4.696 1.226 1.00 54.11 H new ATOM 0 HD21 ASN A 6 17.142 -5.530 -0.912 1.00 63.24 H new ATOM 0 HD22 ASN A 6 18.657 -5.972 -1.706 1.00 63.24 H new ATOM 93 N ASN A 7 19.191 -2.281 -1.167 1.00 51.12 N ATOM 94 CA ASN A 7 19.402 -1.997 -2.582 1.00 64.31 C ATOM 95 C ASN A 7 19.118 -0.531 -2.891 1.00 51.44 C ATOM 96 O ASN A 7 19.988 0.194 -3.375 1.00 3.34 O ATOM 97 CB ASN A 7 18.510 -2.894 -3.442 1.00 52.04 C ATOM 98 CG ASN A 7 19.208 -3.365 -4.704 1.00 35.03 C ATOM 99 OD1 ASN A 7 19.792 -4.448 -4.736 1.00 34.33 O ATOM 100 ND2 ASN A 7 19.150 -2.550 -5.751 1.00 32.51 N ATOM 0 H ASN A 7 20.047 -2.342 -0.616 1.00 51.12 H new ATOM 0 HA ASN A 7 20.446 -2.203 -2.817 1.00 64.31 H new ATOM 0 HB2 ASN A 7 18.199 -3.760 -2.858 1.00 52.04 H new ATOM 0 HB3 ASN A 7 17.605 -2.350 -3.712 1.00 52.04 H new ATOM 0 HD21 ASN A 7 19.601 -2.813 -6.627 1.00 32.51 H new ATOM 0 HD22 ASN A 7 18.654 -1.661 -5.679 1.00 32.51 H new ATOM 107 N THR A 8 17.893 -0.099 -2.609 1.00 13.32 N ATOM 108 CA THR A 8 17.492 1.281 -2.857 1.00 24.52 C ATOM 109 C THR A 8 16.998 1.948 -1.578 1.00 64.04 C ATOM 110 O THR A 8 16.025 1.517 -0.960 1.00 71.54 O ATOM 111 CB THR A 8 16.386 1.361 -3.925 1.00 74.10 C ATOM 112 OG1 THR A 8 16.742 0.564 -5.060 1.00 53.23 O ATOM 113 CG2 THR A 8 16.158 2.800 -4.361 1.00 15.42 C ATOM 0 H THR A 8 17.161 -0.685 -2.208 1.00 13.32 H new ATOM 0 HA THR A 8 18.375 1.807 -3.220 1.00 24.52 H new ATOM 0 HB THR A 8 15.463 0.979 -3.489 1.00 74.10 H new ATOM 0 HG1 THR A 8 16.033 0.619 -5.734 1.00 53.23 H new ATOM 0 HG21 THR A 8 15.372 2.831 -5.116 1.00 15.42 H new ATOM 0 HG22 THR A 8 15.858 3.398 -3.500 1.00 15.42 H new ATOM 0 HG23 THR A 8 17.080 3.204 -4.780 1.00 15.42 H new ATOM 121 N PRO A 9 17.683 3.027 -1.170 1.00 61.25 N ATOM 122 CA PRO A 9 17.331 3.778 0.038 1.00 33.21 C ATOM 123 C PRO A 9 16.022 4.546 -0.117 1.00 64.44 C ATOM 124 O PRO A 9 15.766 5.151 -1.158 1.00 62.13 O ATOM 125 CB PRO A 9 18.503 4.747 0.208 1.00 51.43 C ATOM 126 CG PRO A 9 19.057 4.916 -1.165 1.00 31.21 C ATOM 127 CD PRO A 9 18.854 3.597 -1.858 1.00 71.10 C ATOM 0 HA PRO A 9 17.175 3.122 0.894 1.00 33.21 H new ATOM 0 HB2 PRO A 9 18.172 5.700 0.621 1.00 51.43 H new ATOM 0 HB3 PRO A 9 19.252 4.346 0.891 1.00 51.43 H new ATOM 0 HG2 PRO A 9 18.546 5.719 -1.696 1.00 31.21 H new ATOM 0 HG3 PRO A 9 20.114 5.180 -1.130 1.00 31.21 H new ATOM 0 HD2 PRO A 9 18.669 3.727 -2.924 1.00 71.10 H new ATOM 0 HD3 PRO A 9 19.729 2.954 -1.762 1.00 71.10 H new ATOM 135 N VAL A 10 15.197 4.517 0.924 1.00 4.15 N ATOM 136 CA VAL A 10 13.916 5.212 0.904 1.00 52.11 C ATOM 137 C VAL A 10 14.099 6.710 1.119 1.00 4.14 C ATOM 138 O VAL A 10 14.533 7.146 2.186 1.00 72.21 O ATOM 139 CB VAL A 10 12.962 4.663 1.981 1.00 21.35 C ATOM 140 CG1 VAL A 10 11.604 5.342 1.889 1.00 21.42 C ATOM 141 CG2 VAL A 10 12.823 3.154 1.850 1.00 71.42 C ATOM 0 H VAL A 10 15.393 4.019 1.792 1.00 4.15 H new ATOM 0 HA VAL A 10 13.479 5.040 -0.080 1.00 52.11 H new ATOM 0 HB VAL A 10 13.385 4.882 2.962 1.00 21.35 H new ATOM 0 HG11 VAL A 10 10.944 4.941 2.658 1.00 21.42 H new ATOM 0 HG12 VAL A 10 11.723 6.415 2.037 1.00 21.42 H new ATOM 0 HG13 VAL A 10 11.171 5.157 0.906 1.00 21.42 H new ATOM 0 HG21 VAL A 10 12.145 2.783 2.619 1.00 71.42 H new ATOM 0 HG22 VAL A 10 12.424 2.909 0.866 1.00 71.42 H new ATOM 0 HG23 VAL A 10 13.800 2.687 1.971 1.00 71.42 H new ATOM 151 N SER A 11 13.766 7.494 0.099 1.00 2.32 N ATOM 152 CA SER A 11 13.897 8.945 0.175 1.00 24.43 C ATOM 153 C SER A 11 12.638 9.574 0.764 1.00 24.23 C ATOM 154 O SER A 11 11.584 8.942 0.821 1.00 41.54 O ATOM 155 CB SER A 11 14.171 9.527 -1.213 1.00 35.31 C ATOM 156 OG SER A 11 13.307 8.959 -2.183 1.00 24.11 O ATOM 0 H SER A 11 13.403 7.149 -0.790 1.00 2.32 H new ATOM 0 HA SER A 11 14.737 9.176 0.830 1.00 24.43 H new ATOM 0 HB2 SER A 11 14.037 10.608 -1.190 1.00 35.31 H new ATOM 0 HB3 SER A 11 15.208 9.340 -1.491 1.00 35.31 H new ATOM 0 HG SER A 11 12.422 9.376 -2.117 1.00 24.11 H new ATOM 162 N ASN A 12 12.758 10.823 1.202 1.00 21.13 N ATOM 163 CA ASN A 12 11.631 11.539 1.788 1.00 34.21 C ATOM 164 C ASN A 12 10.810 10.619 2.687 1.00 74.35 C ATOM 165 O ASN A 12 9.641 10.343 2.410 1.00 44.03 O ATOM 166 CB ASN A 12 10.742 12.121 0.687 1.00 32.02 C ATOM 167 CG ASN A 12 10.351 11.085 -0.349 1.00 31.32 C ATOM 168 OD1 ASN A 12 11.142 10.738 -1.226 1.00 5.23 O ATOM 169 ND2 ASN A 12 9.124 10.585 -0.252 1.00 24.00 N ATOM 0 H ASN A 12 13.624 11.360 1.162 1.00 21.13 H new ATOM 0 HA ASN A 12 12.026 12.353 2.395 1.00 34.21 H new ATOM 0 HB2 ASN A 12 9.841 12.541 1.135 1.00 32.02 H new ATOM 0 HB3 ASN A 12 11.266 12.941 0.197 1.00 32.02 H new ATOM 0 HD21 ASN A 12 8.804 9.884 -0.921 1.00 24.00 H new ATOM 0 HD22 ASN A 12 8.502 10.902 0.491 1.00 24.00 H new ATOM 176 N LEU A 13 11.428 10.147 3.764 1.00 52.05 N ATOM 177 CA LEU A 13 10.755 9.258 4.704 1.00 12.13 C ATOM 178 C LEU A 13 9.591 9.969 5.388 1.00 3.11 C ATOM 179 O LEU A 13 9.145 11.026 4.940 1.00 72.30 O ATOM 180 CB LEU A 13 11.745 8.750 5.754 1.00 52.21 C ATOM 181 CG LEU A 13 11.921 7.233 5.832 1.00 41.33 C ATOM 182 CD1 LEU A 13 10.575 6.547 6.003 1.00 53.41 C ATOM 183 CD2 LEU A 13 12.632 6.715 4.590 1.00 72.30 C ATOM 0 H LEU A 13 12.394 10.365 4.008 1.00 52.05 H new ATOM 0 HA LEU A 13 10.360 8.410 4.145 1.00 12.13 H new ATOM 0 HB2 LEU A 13 12.718 9.199 5.554 1.00 52.21 H new ATOM 0 HB3 LEU A 13 11.423 9.109 6.732 1.00 52.21 H new ATOM 0 HG LEU A 13 12.536 7.002 6.702 1.00 41.33 H new ATOM 0 HD11 LEU A 13 10.721 5.468 6.056 1.00 53.41 H new ATOM 0 HD12 LEU A 13 10.103 6.895 6.922 1.00 53.41 H new ATOM 0 HD13 LEU A 13 9.935 6.785 5.154 1.00 53.41 H new ATOM 0 HD21 LEU A 13 12.749 5.634 4.662 1.00 72.30 H new ATOM 0 HD22 LEU A 13 12.043 6.958 3.706 1.00 72.30 H new ATOM 0 HD23 LEU A 13 13.614 7.182 4.512 1.00 72.30 H new ATOM 195 N THR A 14 9.105 9.384 6.478 1.00 32.50 N ATOM 196 CA THR A 14 7.994 9.961 7.225 1.00 63.13 C ATOM 197 C THR A 14 8.118 9.661 8.714 1.00 5.12 C ATOM 198 O THR A 14 8.444 8.542 9.107 1.00 20.40 O ATOM 199 CB THR A 14 6.640 9.431 6.717 1.00 21.21 C ATOM 200 OG1 THR A 14 6.737 8.030 6.436 1.00 54.13 O ATOM 201 CG2 THR A 14 6.202 10.176 5.465 1.00 23.31 C ATOM 0 H THR A 14 9.464 8.510 6.863 1.00 32.50 H new ATOM 0 HA THR A 14 8.035 11.039 7.070 1.00 63.13 H new ATOM 0 HB THR A 14 5.895 9.594 7.496 1.00 21.21 H new ATOM 0 HG1 THR A 14 5.872 7.700 6.115 1.00 54.13 H new ATOM 0 HG21 THR A 14 5.243 9.784 5.125 1.00 23.31 H new ATOM 0 HG22 THR A 14 6.101 11.238 5.690 1.00 23.31 H new ATOM 0 HG23 THR A 14 6.948 10.041 4.682 1.00 23.31 H new ATOM 209 N GLY A 15 7.856 10.670 9.540 1.00 20.52 N ATOM 210 CA GLY A 15 7.944 10.493 10.978 1.00 75.30 C ATOM 211 C GLY A 15 6.862 11.251 11.722 1.00 22.22 C ATOM 212 O GLY A 15 7.149 12.203 12.446 1.00 52.53 O ATOM 0 H GLY A 15 7.585 11.606 9.239 1.00 20.52 H new ATOM 0 HA2 GLY A 15 7.869 9.432 11.216 1.00 75.30 H new ATOM 0 HA3 GLY A 15 8.922 10.829 11.323 1.00 75.30 H new ATOM 216 N ASN A 16 5.615 10.828 11.543 1.00 60.20 N ATOM 217 CA ASN A 16 4.486 11.475 12.202 1.00 43.23 C ATOM 218 C ASN A 16 4.416 11.081 13.674 1.00 63.42 C ATOM 219 O ASN A 16 4.567 9.909 14.022 1.00 14.32 O ATOM 220 CB ASN A 16 3.178 11.104 11.500 1.00 3.30 C ATOM 221 CG ASN A 16 2.096 12.147 11.705 1.00 22.24 C ATOM 222 OD1 ASN A 16 1.792 12.528 12.836 1.00 62.51 O ATOM 223 ND2 ASN A 16 1.509 12.613 10.610 1.00 50.54 N ATOM 0 H ASN A 16 5.361 10.040 10.947 1.00 60.20 H new ATOM 0 HA ASN A 16 4.631 12.554 12.140 1.00 43.23 H new ATOM 0 HB2 ASN A 16 3.364 10.982 10.433 1.00 3.30 H new ATOM 0 HB3 ASN A 16 2.828 10.142 11.875 1.00 3.30 H new ATOM 0 HD21 ASN A 16 0.774 13.316 10.685 1.00 50.54 H new ATOM 0 HD22 ASN A 16 1.793 12.268 9.693 1.00 50.54 H new ATOM 230 N LYS A 17 4.187 12.066 14.535 1.00 55.44 N ATOM 231 CA LYS A 17 4.094 11.824 15.969 1.00 2.04 C ATOM 232 C LYS A 17 3.101 10.706 16.270 1.00 51.05 C ATOM 233 O LYS A 17 3.252 9.974 17.246 1.00 23.34 O ATOM 234 CB LYS A 17 3.674 13.103 16.697 1.00 23.15 C ATOM 235 CG LYS A 17 2.549 13.854 16.007 1.00 2.31 C ATOM 236 CD LYS A 17 3.030 15.179 15.438 1.00 61.40 C ATOM 237 CE LYS A 17 2.813 16.319 16.420 1.00 1.25 C ATOM 238 NZ LYS A 17 2.764 17.640 15.735 1.00 52.12 N ATOM 0 H LYS A 17 4.062 13.041 14.264 1.00 55.44 H new ATOM 0 HA LYS A 17 5.078 11.517 16.324 1.00 2.04 H new ATOM 0 HB2 LYS A 17 3.362 12.849 17.710 1.00 23.15 H new ATOM 0 HB3 LYS A 17 4.538 13.761 16.785 1.00 23.15 H new ATOM 0 HG2 LYS A 17 2.139 13.240 15.205 1.00 2.31 H new ATOM 0 HG3 LYS A 17 1.741 14.033 16.716 1.00 2.31 H new ATOM 0 HD2 LYS A 17 4.089 15.107 15.191 1.00 61.40 H new ATOM 0 HD3 LYS A 17 2.500 15.391 14.510 1.00 61.40 H new ATOM 0 HE2 LYS A 17 1.882 16.157 16.964 1.00 1.25 H new ATOM 0 HE3 LYS A 17 3.616 16.322 17.157 1.00 1.25 H new ATOM 0 HZ1 LYS A 17 2.615 18.391 16.439 1.00 52.12 H new ATOM 0 HZ2 LYS A 17 3.662 17.806 15.237 1.00 52.12 H new ATOM 0 HZ3 LYS A 17 1.981 17.647 15.050 1.00 52.12 H new ATOM 252 N GLY A 18 2.085 10.580 15.421 1.00 33.44 N ATOM 253 CA GLY A 18 1.083 9.548 15.613 1.00 74.41 C ATOM 254 C GLY A 18 1.193 8.435 14.589 1.00 0.11 C ATOM 255 O GLY A 18 1.155 7.255 14.938 1.00 54.30 O ATOM 0 H GLY A 18 1.938 11.174 14.605 1.00 33.44 H new ATOM 0 HA2 GLY A 18 1.185 9.128 16.614 1.00 74.41 H new ATOM 0 HA3 GLY A 18 0.090 9.994 15.555 1.00 74.41 H new ATOM 259 N SER A 19 1.329 8.811 13.321 1.00 20.05 N ATOM 260 CA SER A 19 1.440 7.836 12.243 1.00 74.02 C ATOM 261 C SER A 19 2.847 7.250 12.183 1.00 72.52 C ATOM 262 O SER A 19 3.794 7.827 12.715 1.00 41.22 O ATOM 263 CB SER A 19 1.088 8.484 10.903 1.00 55.44 C ATOM 264 OG SER A 19 0.511 7.542 10.016 1.00 71.43 O ATOM 0 H SER A 19 1.365 9.784 13.016 1.00 20.05 H new ATOM 0 HA SER A 19 0.737 7.028 12.444 1.00 74.02 H new ATOM 0 HB2 SER A 19 0.393 9.308 11.066 1.00 55.44 H new ATOM 0 HB3 SER A 19 1.986 8.908 10.454 1.00 55.44 H new ATOM 0 HG SER A 19 0.294 7.982 9.168 1.00 71.43 H new ATOM 270 N GLU A 20 2.974 6.098 11.531 1.00 70.01 N ATOM 271 CA GLU A 20 4.265 5.432 11.402 1.00 40.51 C ATOM 272 C GLU A 20 4.394 4.754 10.041 1.00 40.30 C ATOM 273 O GLU A 20 3.419 4.636 9.299 1.00 40.33 O ATOM 274 CB GLU A 20 4.446 4.401 12.517 1.00 34.33 C ATOM 275 CG GLU A 20 3.758 4.783 13.817 1.00 34.21 C ATOM 276 CD GLU A 20 4.052 3.809 14.941 1.00 23.13 C ATOM 277 OE1 GLU A 20 5.069 3.089 14.852 1.00 13.03 O ATOM 278 OE2 GLU A 20 3.266 3.767 15.911 1.00 52.24 O ATOM 0 H GLU A 20 2.199 5.607 11.084 1.00 70.01 H new ATOM 0 HA GLU A 20 5.045 6.189 11.487 1.00 40.51 H new ATOM 0 HB2 GLU A 20 4.057 3.440 12.179 1.00 34.33 H new ATOM 0 HB3 GLU A 20 5.511 4.265 12.706 1.00 34.33 H new ATOM 0 HG2 GLU A 20 4.079 5.782 14.114 1.00 34.21 H new ATOM 0 HG3 GLU A 20 2.681 4.829 13.654 1.00 34.21 H new ATOM 285 N VAL A 21 5.605 4.310 9.720 1.00 42.40 N ATOM 286 CA VAL A 21 5.863 3.644 8.449 1.00 21.43 C ATOM 287 C VAL A 21 6.632 2.344 8.657 1.00 63.20 C ATOM 288 O VAL A 21 7.405 2.212 9.606 1.00 2.12 O ATOM 289 CB VAL A 21 6.658 4.550 7.491 1.00 51.12 C ATOM 290 CG1 VAL A 21 5.824 4.895 6.267 1.00 74.24 C ATOM 291 CG2 VAL A 21 7.115 5.812 8.207 1.00 34.15 C ATOM 0 H VAL A 21 6.423 4.400 10.323 1.00 42.40 H new ATOM 0 HA VAL A 21 4.892 3.422 8.005 1.00 21.43 H new ATOM 0 HB VAL A 21 7.543 4.008 7.158 1.00 51.12 H new ATOM 0 HG11 VAL A 21 6.402 5.536 5.601 1.00 74.24 H new ATOM 0 HG12 VAL A 21 5.551 3.979 5.743 1.00 74.24 H new ATOM 0 HG13 VAL A 21 4.920 5.418 6.578 1.00 74.24 H new ATOM 0 HG21 VAL A 21 7.675 6.440 7.515 1.00 34.15 H new ATOM 0 HG22 VAL A 21 6.245 6.359 8.571 1.00 34.15 H new ATOM 0 HG23 VAL A 21 7.752 5.542 9.049 1.00 34.15 H new ATOM 301 N PHE A 22 6.416 1.385 7.762 1.00 13.24 N ATOM 302 CA PHE A 22 7.088 0.094 7.847 1.00 4.14 C ATOM 303 C PHE A 22 7.532 -0.380 6.467 1.00 44.34 C ATOM 304 O PHE A 22 6.918 -0.041 5.455 1.00 73.52 O ATOM 305 CB PHE A 22 6.163 -0.946 8.483 1.00 44.11 C ATOM 306 CG PHE A 22 4.715 -0.753 8.133 1.00 23.54 C ATOM 307 CD1 PHE A 22 4.210 -1.226 6.933 1.00 50.11 C ATOM 308 CD2 PHE A 22 3.860 -0.100 9.005 1.00 14.42 C ATOM 309 CE1 PHE A 22 2.878 -1.051 6.608 1.00 12.24 C ATOM 310 CE2 PHE A 22 2.527 0.078 8.686 1.00 14.13 C ATOM 311 CZ PHE A 22 2.035 -0.397 7.486 1.00 44.10 C ATOM 0 H PHE A 22 5.781 1.478 6.970 1.00 13.24 H new ATOM 0 HA PHE A 22 7.973 0.214 8.472 1.00 4.14 H new ATOM 0 HB2 PHE A 22 6.476 -1.941 8.166 1.00 44.11 H new ATOM 0 HB3 PHE A 22 6.275 -0.906 9.566 1.00 44.11 H new ATOM 0 HD1 PHE A 22 4.865 -1.738 6.243 1.00 50.11 H new ATOM 0 HD2 PHE A 22 4.239 0.274 9.945 1.00 14.42 H new ATOM 0 HE1 PHE A 22 2.497 -1.425 5.669 1.00 12.24 H new ATOM 0 HE2 PHE A 22 1.870 0.588 9.375 1.00 14.13 H new ATOM 0 HZ PHE A 22 0.994 -0.258 7.235 1.00 44.10 H new ATOM 321 N TYR A 23 8.604 -1.164 6.433 1.00 10.14 N ATOM 322 CA TYR A 23 9.133 -1.682 5.177 1.00 21.35 C ATOM 323 C TYR A 23 9.784 -3.047 5.382 1.00 1.24 C ATOM 324 O TYR A 23 10.038 -3.464 6.513 1.00 74.41 O ATOM 325 CB TYR A 23 10.149 -0.704 4.585 1.00 11.13 C ATOM 326 CG TYR A 23 9.637 0.716 4.489 1.00 25.35 C ATOM 327 CD1 TYR A 23 8.816 1.110 3.441 1.00 35.11 C ATOM 328 CD2 TYR A 23 9.976 1.663 5.448 1.00 33.24 C ATOM 329 CE1 TYR A 23 8.347 2.406 3.349 1.00 12.14 C ATOM 330 CE2 TYR A 23 9.510 2.961 5.366 1.00 64.14 C ATOM 331 CZ TYR A 23 8.697 3.328 4.314 1.00 33.20 C ATOM 332 OH TYR A 23 8.231 4.620 4.227 1.00 73.40 O ATOM 0 H TYR A 23 9.124 -1.455 7.261 1.00 10.14 H new ATOM 0 HA TYR A 23 8.301 -1.797 4.482 1.00 21.35 H new ATOM 0 HB2 TYR A 23 11.051 -0.716 5.197 1.00 11.13 H new ATOM 0 HB3 TYR A 23 10.434 -1.047 3.590 1.00 11.13 H new ATOM 0 HD1 TYR A 23 8.539 0.391 2.684 1.00 35.11 H new ATOM 0 HD2 TYR A 23 10.615 1.379 6.271 1.00 33.24 H new ATOM 0 HE1 TYR A 23 7.710 2.696 2.526 1.00 12.14 H new ATOM 0 HE2 TYR A 23 9.781 3.684 6.121 1.00 64.14 H new ATOM 0 HH TYR A 23 7.360 4.624 3.779 1.00 73.40 H new ATOM 342 N THR A 24 10.054 -3.738 4.279 1.00 35.44 N ATOM 343 CA THR A 24 10.674 -5.056 4.336 1.00 44.32 C ATOM 344 C THR A 24 11.550 -5.304 3.113 1.00 51.32 C ATOM 345 O THR A 24 11.195 -4.927 1.996 1.00 52.41 O ATOM 346 CB THR A 24 9.617 -6.172 4.431 1.00 51.42 C ATOM 347 OG1 THR A 24 8.643 -5.840 5.427 1.00 22.21 O ATOM 348 CG2 THR A 24 10.266 -7.504 4.772 1.00 32.52 C ATOM 0 H THR A 24 9.853 -3.407 3.335 1.00 35.44 H new ATOM 0 HA THR A 24 11.292 -5.075 5.233 1.00 44.32 H new ATOM 0 HB THR A 24 9.128 -6.263 3.461 1.00 51.42 H new ATOM 0 HG1 THR A 24 7.973 -6.554 5.480 1.00 22.21 H new ATOM 0 HG21 THR A 24 9.500 -8.277 4.834 1.00 32.52 H new ATOM 0 HG22 THR A 24 10.985 -7.767 3.997 1.00 32.52 H new ATOM 0 HG23 THR A 24 10.779 -7.424 5.731 1.00 32.52 H new ATOM 356 N PHE A 25 12.696 -5.941 3.331 1.00 53.25 N ATOM 357 CA PHE A 25 13.623 -6.239 2.245 1.00 33.11 C ATOM 358 C PHE A 25 14.589 -7.350 2.645 1.00 30.31 C ATOM 359 O PHE A 25 14.747 -7.657 3.827 1.00 14.14 O ATOM 360 CB PHE A 25 14.405 -4.984 1.855 1.00 41.54 C ATOM 361 CG PHE A 25 14.386 -4.700 0.380 1.00 52.32 C ATOM 362 CD1 PHE A 25 15.333 -5.263 -0.460 1.00 72.10 C ATOM 363 CD2 PHE A 25 13.421 -3.869 -0.167 1.00 11.24 C ATOM 364 CE1 PHE A 25 15.318 -5.004 -1.818 1.00 33.33 C ATOM 365 CE2 PHE A 25 13.401 -3.607 -1.523 1.00 55.24 C ATOM 366 CZ PHE A 25 14.351 -4.174 -2.350 1.00 32.12 C ATOM 0 H PHE A 25 13.005 -6.261 4.249 1.00 53.25 H new ATOM 0 HA PHE A 25 13.042 -6.578 1.387 1.00 33.11 H new ATOM 0 HB2 PHE A 25 13.991 -4.128 2.387 1.00 41.54 H new ATOM 0 HB3 PHE A 25 15.439 -5.093 2.183 1.00 41.54 H new ATOM 0 HD1 PHE A 25 16.092 -5.912 -0.049 1.00 72.10 H new ATOM 0 HD2 PHE A 25 12.676 -3.421 0.474 1.00 11.24 H new ATOM 0 HE1 PHE A 25 16.062 -5.450 -2.462 1.00 33.33 H new ATOM 0 HE2 PHE A 25 12.643 -2.959 -1.937 1.00 55.24 H new ATOM 0 HZ PHE A 25 14.338 -3.969 -3.410 1.00 32.12 H new ATOM 376 N THR A 26 15.234 -7.952 1.650 1.00 3.24 N ATOM 377 CA THR A 26 16.184 -9.030 1.897 1.00 54.23 C ATOM 378 C THR A 26 17.492 -8.791 1.152 1.00 3.35 C ATOM 379 O THR A 26 17.590 -7.887 0.323 1.00 41.44 O ATOM 380 CB THR A 26 15.607 -10.394 1.473 1.00 41.22 C ATOM 381 OG1 THR A 26 15.617 -10.508 0.045 1.00 10.34 O ATOM 382 CG2 THR A 26 14.187 -10.566 1.990 1.00 11.54 C ATOM 0 H THR A 26 15.116 -7.711 0.666 1.00 3.24 H new ATOM 0 HA THR A 26 16.377 -9.042 2.970 1.00 54.23 H new ATOM 0 HB THR A 26 16.231 -11.177 1.904 1.00 41.22 H new ATOM 0 HG1 THR A 26 15.250 -11.378 -0.216 1.00 10.34 H new ATOM 0 HG21 THR A 26 13.801 -11.536 1.678 1.00 11.54 H new ATOM 0 HG22 THR A 26 14.187 -10.508 3.078 1.00 11.54 H new ATOM 0 HG23 THR A 26 13.554 -9.777 1.585 1.00 11.54 H new ATOM 390 N VAL A 27 18.497 -9.607 1.454 1.00 60.20 N ATOM 391 CA VAL A 27 19.800 -9.485 0.812 1.00 63.42 C ATOM 392 C VAL A 27 20.043 -10.634 -0.161 1.00 40.21 C ATOM 393 O VAL A 27 19.286 -11.604 -0.194 1.00 13.13 O ATOM 394 CB VAL A 27 20.937 -9.458 1.850 1.00 4.23 C ATOM 395 CG1 VAL A 27 20.890 -8.171 2.661 1.00 75.43 C ATOM 396 CG2 VAL A 27 20.857 -10.674 2.760 1.00 31.23 C ATOM 0 H VAL A 27 18.433 -10.360 2.139 1.00 60.20 H new ATOM 0 HA VAL A 27 19.796 -8.543 0.264 1.00 63.42 H new ATOM 0 HB VAL A 27 21.889 -9.491 1.320 1.00 4.23 H new ATOM 0 HG11 VAL A 27 21.701 -8.170 3.389 1.00 75.43 H new ATOM 0 HG12 VAL A 27 21.000 -7.316 1.994 1.00 75.43 H new ATOM 0 HG13 VAL A 27 19.935 -8.104 3.182 1.00 75.43 H new ATOM 0 HG21 VAL A 27 21.668 -10.638 3.487 1.00 31.23 H new ATOM 0 HG22 VAL A 27 19.901 -10.675 3.283 1.00 31.23 H new ATOM 0 HG23 VAL A 27 20.945 -11.582 2.163 1.00 31.23 H new ATOM 406 N ASP A 28 21.104 -10.517 -0.952 1.00 20.51 N ATOM 407 CA ASP A 28 21.448 -11.547 -1.926 1.00 25.05 C ATOM 408 C ASP A 28 22.587 -12.423 -1.411 1.00 14.23 C ATOM 409 O ASP A 28 22.491 -13.650 -1.419 1.00 31.12 O ATOM 410 CB ASP A 28 21.843 -10.908 -3.258 1.00 11.32 C ATOM 411 CG ASP A 28 20.654 -10.323 -3.994 1.00 35.00 C ATOM 412 OD1 ASP A 28 20.073 -9.336 -3.495 1.00 1.00 O ATOM 413 OD2 ASP A 28 20.304 -10.852 -5.070 1.00 14.15 O ATOM 0 H ASP A 28 21.740 -9.720 -0.938 1.00 20.51 H new ATOM 0 HA ASP A 28 20.570 -12.175 -2.079 1.00 25.05 H new ATOM 0 HB2 ASP A 28 22.577 -10.123 -3.077 1.00 11.32 H new ATOM 0 HB3 ASP A 28 22.325 -11.656 -3.888 1.00 11.32 H new ATOM 418 N ARG A 29 23.663 -11.784 -0.965 1.00 0.42 N ATOM 419 CA ARG A 29 24.820 -12.504 -0.449 1.00 24.44 C ATOM 420 C ARG A 29 25.304 -11.890 0.862 1.00 54.22 C ATOM 421 O ARG A 29 24.895 -10.790 1.231 1.00 54.23 O ATOM 422 CB ARG A 29 25.953 -12.496 -1.477 1.00 3.15 C ATOM 423 CG ARG A 29 26.814 -11.244 -1.424 1.00 22.41 C ATOM 424 CD ARG A 29 25.987 -9.989 -1.653 1.00 32.15 C ATOM 425 NE ARG A 29 26.753 -8.943 -2.324 1.00 25.01 N ATOM 426 CZ ARG A 29 26.225 -7.799 -2.743 1.00 0.53 C ATOM 427 NH1 ARG A 29 24.935 -7.554 -2.560 1.00 32.13 N ATOM 428 NH2 ARG A 29 26.988 -6.895 -3.345 1.00 72.55 N ATOM 0 H ARG A 29 23.757 -10.768 -0.951 1.00 0.42 H new ATOM 0 HA ARG A 29 24.519 -13.534 -0.258 1.00 24.44 H new ATOM 0 HB2 ARG A 29 26.585 -13.369 -1.315 1.00 3.15 H new ATOM 0 HB3 ARG A 29 25.527 -12.592 -2.476 1.00 3.15 H new ATOM 0 HG2 ARG A 29 27.310 -11.183 -0.455 1.00 22.41 H new ATOM 0 HG3 ARG A 29 27.597 -11.308 -2.179 1.00 22.41 H new ATOM 0 HD2 ARG A 29 25.111 -10.237 -2.252 1.00 32.15 H new ATOM 0 HD3 ARG A 29 25.624 -9.615 -0.696 1.00 32.15 H new ATOM 0 HE ARG A 29 27.749 -9.100 -2.480 1.00 25.01 H new ATOM 0 HH11 ARG A 29 24.345 -8.245 -2.096 1.00 32.13 H new ATOM 0 HH12 ARG A 29 24.532 -6.674 -2.883 1.00 32.13 H new ATOM 0 HH21 ARG A 29 27.981 -7.079 -3.486 1.00 72.55 H new ATOM 0 HH22 ARG A 29 26.581 -6.017 -3.666 1.00 72.55 H new ATOM 442 N ASN A 30 26.176 -12.609 1.561 1.00 40.14 N ATOM 443 CA ASN A 30 26.714 -12.135 2.830 1.00 1.15 C ATOM 444 C ASN A 30 27.842 -11.133 2.603 1.00 21.02 C ATOM 445 O ASN A 30 28.890 -11.476 2.057 1.00 23.45 O ATOM 446 CB ASN A 30 27.223 -13.313 3.664 1.00 42.41 C ATOM 447 CG ASN A 30 28.180 -14.198 2.889 1.00 22.15 C ATOM 448 OD1 ASN A 30 27.633 -15.157 2.151 1.00 70.04 O flip ATOM 449 ND2 ASN A 30 29.397 -14.022 2.955 1.00 41.51 N flip ATOM 0 H ASN A 30 26.525 -13.522 1.270 1.00 40.14 H new ATOM 0 HA ASN A 30 25.911 -11.635 3.372 1.00 1.15 H new ATOM 0 HB2 ASN A 30 27.723 -12.934 4.555 1.00 42.41 H new ATOM 0 HB3 ASN A 30 26.375 -13.908 4.003 1.00 42.41 H new ATOM 0 HD21 ASN A 30 29.773 -13.272 3.535 1.00 41.51 H new ATOM 0 HD22 ASN A 30 30.029 -14.626 2.429 1.00 41.51 H new ATOM 456 N ALA A 31 27.619 -9.893 3.026 1.00 21.13 N ATOM 457 CA ALA A 31 28.617 -8.842 2.872 1.00 60.03 C ATOM 458 C ALA A 31 28.617 -7.904 4.074 1.00 53.54 C ATOM 459 O ALA A 31 27.563 -7.583 4.624 1.00 11.15 O ATOM 460 CB ALA A 31 28.367 -8.061 1.590 1.00 70.31 C ATOM 0 H ALA A 31 26.756 -9.592 3.478 1.00 21.13 H new ATOM 0 HA ALA A 31 29.598 -9.313 2.812 1.00 60.03 H new ATOM 0 HB1 ALA A 31 29.120 -7.279 1.488 1.00 70.31 H new ATOM 0 HB2 ALA A 31 28.426 -8.735 0.736 1.00 70.31 H new ATOM 0 HB3 ALA A 31 27.376 -7.608 1.627 1.00 70.31 H new ATOM 466 N THR A 32 29.805 -7.466 4.477 1.00 3.42 N ATOM 467 CA THR A 32 29.942 -6.565 5.615 1.00 22.41 C ATOM 468 C THR A 32 29.993 -5.111 5.162 1.00 4.33 C ATOM 469 O THR A 32 30.999 -4.655 4.619 1.00 62.11 O ATOM 470 CB THR A 32 31.209 -6.882 6.433 1.00 52.35 C ATOM 471 OG1 THR A 32 31.413 -5.874 7.429 1.00 30.13 O ATOM 472 CG2 THR A 32 32.430 -6.963 5.529 1.00 52.12 C ATOM 0 H THR A 32 30.687 -7.721 4.032 1.00 3.42 H new ATOM 0 HA THR A 32 29.065 -6.715 6.245 1.00 22.41 H new ATOM 0 HB THR A 32 31.070 -7.849 6.917 1.00 52.35 H new ATOM 0 HG1 THR A 32 32.219 -6.083 7.946 1.00 30.13 H new ATOM 0 HG21 THR A 32 33.312 -7.188 6.128 1.00 52.12 H new ATOM 0 HG22 THR A 32 32.284 -7.750 4.789 1.00 52.12 H new ATOM 0 HG23 THR A 32 32.570 -6.009 5.021 1.00 52.12 H new ATOM 480 N ALA A 33 28.903 -4.386 5.390 1.00 30.13 N ATOM 481 CA ALA A 33 28.825 -2.982 5.008 1.00 43.40 C ATOM 482 C ALA A 33 28.151 -2.153 6.096 1.00 52.00 C ATOM 483 O ALA A 33 27.288 -2.647 6.822 1.00 72.24 O ATOM 484 CB ALA A 33 28.079 -2.834 3.690 1.00 0.13 C ATOM 0 H ALA A 33 28.061 -4.748 5.838 1.00 30.13 H new ATOM 0 HA ALA A 33 29.841 -2.609 4.881 1.00 43.40 H new ATOM 0 HB1 ALA A 33 28.028 -1.780 3.417 1.00 0.13 H new ATOM 0 HB2 ALA A 33 28.604 -3.386 2.911 1.00 0.13 H new ATOM 0 HB3 ALA A 33 27.069 -3.230 3.797 1.00 0.13 H new ATOM 490 N VAL A 34 28.550 -0.890 6.205 1.00 43.24 N ATOM 491 CA VAL A 34 27.984 0.008 7.204 1.00 30.23 C ATOM 492 C VAL A 34 27.028 1.009 6.565 1.00 21.13 C ATOM 493 O VAL A 34 27.444 1.879 5.800 1.00 14.20 O ATOM 494 CB VAL A 34 29.086 0.776 7.958 1.00 62.04 C ATOM 495 CG1 VAL A 34 30.029 1.456 6.977 1.00 61.13 C ATOM 496 CG2 VAL A 34 28.472 1.791 8.910 1.00 30.30 C ATOM 0 H VAL A 34 29.264 -0.465 5.613 1.00 43.24 H new ATOM 0 HA VAL A 34 27.435 -0.613 7.912 1.00 30.23 H new ATOM 0 HB VAL A 34 29.664 0.063 8.547 1.00 62.04 H new ATOM 0 HG11 VAL A 34 30.801 1.994 7.528 1.00 61.13 H new ATOM 0 HG12 VAL A 34 30.495 0.704 6.340 1.00 61.13 H new ATOM 0 HG13 VAL A 34 29.468 2.158 6.360 1.00 61.13 H new ATOM 0 HG21 VAL A 34 29.265 2.324 9.434 1.00 30.30 H new ATOM 0 HG22 VAL A 34 27.869 2.502 8.345 1.00 30.30 H new ATOM 0 HG23 VAL A 34 27.841 1.275 9.634 1.00 30.30 H new ATOM 506 N VAL A 35 25.744 0.880 6.885 1.00 43.01 N ATOM 507 CA VAL A 35 24.728 1.775 6.343 1.00 21.55 C ATOM 508 C VAL A 35 23.944 2.455 7.460 1.00 73.12 C ATOM 509 O VAL A 35 23.622 1.835 8.474 1.00 64.05 O ATOM 510 CB VAL A 35 23.746 1.020 5.428 1.00 64.35 C ATOM 511 CG1 VAL A 35 22.828 1.996 4.709 1.00 13.32 C ATOM 512 CG2 VAL A 35 24.505 0.157 4.431 1.00 70.25 C ATOM 0 H VAL A 35 25.383 0.165 7.516 1.00 43.01 H new ATOM 0 HA VAL A 35 25.251 2.531 5.757 1.00 21.55 H new ATOM 0 HB VAL A 35 23.130 0.367 6.046 1.00 64.35 H new ATOM 0 HG11 VAL A 35 22.141 1.444 4.067 1.00 13.32 H new ATOM 0 HG12 VAL A 35 22.259 2.568 5.442 1.00 13.32 H new ATOM 0 HG13 VAL A 35 23.425 2.677 4.102 1.00 13.32 H new ATOM 0 HG21 VAL A 35 23.796 -0.370 3.792 1.00 70.25 H new ATOM 0 HG22 VAL A 35 25.147 0.789 3.817 1.00 70.25 H new ATOM 0 HG23 VAL A 35 25.117 -0.568 4.969 1.00 70.25 H new ATOM 522 N SER A 36 23.638 3.734 7.266 1.00 31.21 N ATOM 523 CA SER A 36 22.893 4.500 8.258 1.00 4.53 C ATOM 524 C SER A 36 21.876 5.417 7.585 1.00 4.12 C ATOM 525 O SER A 36 21.937 5.648 6.377 1.00 11.12 O ATOM 526 CB SER A 36 23.851 5.327 9.119 1.00 40.13 C ATOM 527 OG SER A 36 24.194 6.542 8.476 1.00 44.43 O ATOM 0 H SER A 36 23.894 4.261 6.431 1.00 31.21 H new ATOM 0 HA SER A 36 22.356 3.797 8.896 1.00 4.53 H new ATOM 0 HB2 SER A 36 23.388 5.540 10.082 1.00 40.13 H new ATOM 0 HB3 SER A 36 24.754 4.751 9.320 1.00 40.13 H new ATOM 0 HG SER A 36 24.805 7.053 9.047 1.00 44.43 H new ATOM 533 N ILE A 37 20.943 5.936 8.376 1.00 71.02 N ATOM 534 CA ILE A 37 19.913 6.828 7.858 1.00 62.05 C ATOM 535 C ILE A 37 20.099 8.247 8.385 1.00 73.22 C ATOM 536 O ILE A 37 20.679 8.453 9.451 1.00 61.04 O ATOM 537 CB ILE A 37 18.502 6.335 8.229 1.00 62.22 C ATOM 538 CG1 ILE A 37 18.105 6.853 9.613 1.00 60.43 C ATOM 539 CG2 ILE A 37 18.445 4.815 8.189 1.00 11.03 C ATOM 540 CD1 ILE A 37 18.943 6.282 10.735 1.00 64.30 C ATOM 0 H ILE A 37 20.879 5.754 9.378 1.00 71.02 H new ATOM 0 HA ILE A 37 20.014 6.830 6.773 1.00 62.05 H new ATOM 0 HB ILE A 37 17.793 6.725 7.499 1.00 62.22 H new ATOM 0 HG12 ILE A 37 18.190 7.940 9.624 1.00 60.43 H new ATOM 0 HG13 ILE A 37 17.057 6.614 9.795 1.00 60.43 H new ATOM 0 HG21 ILE A 37 17.442 4.481 8.453 1.00 11.03 H new ATOM 0 HG22 ILE A 37 18.690 4.468 7.185 1.00 11.03 H new ATOM 0 HG23 ILE A 37 19.163 4.405 8.900 1.00 11.03 H new ATOM 0 HD11 ILE A 37 18.606 6.693 11.687 1.00 64.30 H new ATOM 0 HD12 ILE A 37 18.839 5.197 10.751 1.00 64.30 H new ATOM 0 HD13 ILE A 37 19.989 6.544 10.577 1.00 64.30 H new ATOM 552 N SER A 38 19.600 9.222 7.632 1.00 42.03 N ATOM 553 CA SER A 38 19.713 10.623 8.022 1.00 75.40 C ATOM 554 C SER A 38 18.807 11.500 7.163 1.00 42.11 C ATOM 555 O SER A 38 18.496 11.161 6.022 1.00 45.32 O ATOM 556 CB SER A 38 21.163 11.093 7.900 1.00 41.22 C ATOM 557 OG SER A 38 21.418 11.632 6.614 1.00 31.12 O ATOM 0 H SER A 38 19.114 9.068 6.749 1.00 42.03 H new ATOM 0 HA SER A 38 19.397 10.712 9.061 1.00 75.40 H new ATOM 0 HB2 SER A 38 21.370 11.846 8.661 1.00 41.22 H new ATOM 0 HB3 SER A 38 21.837 10.257 8.087 1.00 41.22 H new ATOM 0 HG SER A 38 22.351 11.927 6.562 1.00 31.12 H new ATOM 563 N GLY A 39 18.387 12.631 7.721 1.00 13.23 N ATOM 564 CA GLY A 39 17.521 13.541 6.994 1.00 60.33 C ATOM 565 C GLY A 39 17.616 14.965 7.504 1.00 22.21 C ATOM 566 O GLY A 39 18.635 15.363 8.067 1.00 11.12 O ATOM 0 H GLY A 39 18.631 12.934 8.664 1.00 13.23 H new ATOM 0 HA2 GLY A 39 17.783 13.519 5.936 1.00 60.33 H new ATOM 0 HA3 GLY A 39 16.490 13.198 7.074 1.00 60.33 H new ATOM 570 N GLY A 40 16.551 15.736 7.305 1.00 21.34 N ATOM 571 CA GLY A 40 16.540 17.116 7.754 1.00 22.21 C ATOM 572 C GLY A 40 15.397 17.407 8.706 1.00 60.11 C ATOM 573 O GLY A 40 15.610 17.919 9.805 1.00 44.02 O ATOM 0 H GLY A 40 15.696 15.429 6.841 1.00 21.34 H new ATOM 0 HA2 GLY A 40 17.486 17.342 8.247 1.00 22.21 H new ATOM 0 HA3 GLY A 40 16.465 17.776 6.889 1.00 22.21 H new ATOM 577 N SER A 41 14.180 17.082 8.283 1.00 35.53 N ATOM 578 CA SER A 41 12.997 17.316 9.104 1.00 3.40 C ATOM 579 C SER A 41 12.500 16.015 9.725 1.00 74.32 C ATOM 580 O SER A 41 12.740 14.930 9.196 1.00 1.05 O ATOM 581 CB SER A 41 11.887 17.952 8.266 1.00 53.33 C ATOM 582 OG SER A 41 11.078 16.962 7.654 1.00 24.34 O ATOM 0 H SER A 41 13.987 16.656 7.377 1.00 35.53 H new ATOM 0 HA SER A 41 13.272 17.999 9.908 1.00 3.40 H new ATOM 0 HB2 SER A 41 11.270 18.590 8.899 1.00 53.33 H new ATOM 0 HB3 SER A 41 12.326 18.591 7.500 1.00 53.33 H new ATOM 0 HG SER A 41 11.331 16.869 6.712 1.00 24.34 H new ATOM 588 N GLY A 42 11.803 16.132 10.852 1.00 63.25 N ATOM 589 CA GLY A 42 11.282 14.958 11.527 1.00 62.20 C ATOM 590 C GLY A 42 12.373 13.977 11.909 1.00 31.11 C ATOM 591 O GLY A 42 13.532 14.149 11.532 1.00 41.20 O ATOM 0 H GLY A 42 11.590 17.019 11.309 1.00 63.25 H new ATOM 0 HA2 GLY A 42 10.745 15.267 12.424 1.00 62.20 H new ATOM 0 HA3 GLY A 42 10.561 14.460 10.879 1.00 62.20 H new ATOM 595 N ASP A 43 12.002 12.946 12.661 1.00 44.13 N ATOM 596 CA ASP A 43 12.958 11.934 13.095 1.00 21.11 C ATOM 597 C ASP A 43 12.352 10.537 12.998 1.00 43.23 C ATOM 598 O ASP A 43 11.444 10.190 13.752 1.00 51.13 O ATOM 599 CB ASP A 43 13.408 12.209 14.531 1.00 51.33 C ATOM 600 CG ASP A 43 13.049 13.608 14.992 1.00 43.34 C ATOM 601 OD1 ASP A 43 13.531 14.579 14.371 1.00 11.51 O ATOM 602 OD2 ASP A 43 12.286 13.732 15.972 1.00 3.11 O ATOM 0 H ASP A 43 11.047 12.789 12.982 1.00 44.13 H new ATOM 0 HA ASP A 43 13.824 11.982 12.435 1.00 21.11 H new ATOM 0 HB2 ASP A 43 12.948 11.480 15.199 1.00 51.33 H new ATOM 0 HB3 ASP A 43 14.487 12.071 14.603 1.00 51.33 H new ATOM 607 N ALA A 44 12.861 9.741 12.063 1.00 22.13 N ATOM 608 CA ALA A 44 12.371 8.382 11.868 1.00 41.12 C ATOM 609 C ALA A 44 13.140 7.391 12.735 1.00 10.21 C ATOM 610 O ALA A 44 14.371 7.402 12.764 1.00 13.05 O ATOM 611 CB ALA A 44 12.471 7.991 10.401 1.00 71.11 C ATOM 0 H ALA A 44 13.612 10.014 11.429 1.00 22.13 H new ATOM 0 HA ALA A 44 11.324 8.353 12.170 1.00 41.12 H new ATOM 0 HB1 ALA A 44 12.102 6.974 10.270 1.00 71.11 H new ATOM 0 HB2 ALA A 44 11.871 8.675 9.800 1.00 71.11 H new ATOM 0 HB3 ALA A 44 13.512 8.044 10.081 1.00 71.11 H new ATOM 617 N ASP A 45 12.407 6.537 13.440 1.00 21.42 N ATOM 618 CA ASP A 45 13.021 5.538 14.308 1.00 15.34 C ATOM 619 C ASP A 45 13.472 4.323 13.505 1.00 61.14 C ATOM 620 O ASP A 45 12.727 3.804 12.672 1.00 21.02 O ATOM 621 CB ASP A 45 12.039 5.108 15.399 1.00 32.33 C ATOM 622 CG ASP A 45 11.631 6.258 16.298 1.00 3.45 C ATOM 623 OD1 ASP A 45 11.775 7.423 15.873 1.00 43.24 O ATOM 624 OD2 ASP A 45 11.169 5.994 17.428 1.00 2.04 O ATOM 0 H ASP A 45 11.387 6.516 13.428 1.00 21.42 H new ATOM 0 HA ASP A 45 13.898 5.987 14.775 1.00 15.34 H new ATOM 0 HB2 ASP A 45 11.150 4.680 14.935 1.00 32.33 H new ATOM 0 HB3 ASP A 45 12.493 4.322 16.003 1.00 32.33 H new ATOM 629 N LEU A 46 14.696 3.874 13.758 1.00 4.21 N ATOM 630 CA LEU A 46 15.249 2.720 13.057 1.00 34.14 C ATOM 631 C LEU A 46 14.993 1.435 13.839 1.00 42.11 C ATOM 632 O LEU A 46 15.131 1.403 15.062 1.00 21.40 O ATOM 633 CB LEU A 46 16.751 2.904 12.834 1.00 14.52 C ATOM 634 CG LEU A 46 17.499 1.696 12.272 1.00 61.42 C ATOM 635 CD1 LEU A 46 18.431 2.120 11.147 1.00 12.44 C ATOM 636 CD2 LEU A 46 18.277 0.990 13.373 1.00 13.03 C ATOM 0 H LEU A 46 15.325 4.292 14.444 1.00 4.21 H new ATOM 0 HA LEU A 46 14.752 2.641 12.090 1.00 34.14 H new ATOM 0 HB2 LEU A 46 16.897 3.744 12.155 1.00 14.52 H new ATOM 0 HB3 LEU A 46 17.208 3.179 13.785 1.00 14.52 H new ATOM 0 HG LEU A 46 16.767 0.998 11.866 1.00 61.42 H new ATOM 0 HD11 LEU A 46 18.955 1.246 10.760 1.00 12.44 H new ATOM 0 HD12 LEU A 46 17.850 2.579 10.347 1.00 12.44 H new ATOM 0 HD13 LEU A 46 19.157 2.839 11.527 1.00 12.44 H new ATOM 0 HD21 LEU A 46 18.803 0.132 12.954 1.00 13.03 H new ATOM 0 HD22 LEU A 46 18.999 1.681 13.809 1.00 13.03 H new ATOM 0 HD23 LEU A 46 17.587 0.650 14.146 1.00 13.03 H new ATOM 648 N TYR A 47 14.622 0.378 13.125 1.00 44.33 N ATOM 649 CA TYR A 47 14.348 -0.909 13.751 1.00 34.31 C ATOM 650 C TYR A 47 14.610 -2.055 12.779 1.00 70.33 C ATOM 651 O TYR A 47 14.341 -1.944 11.582 1.00 43.32 O ATOM 652 CB TYR A 47 12.900 -0.963 14.241 1.00 33.03 C ATOM 653 CG TYR A 47 12.690 -0.300 15.584 1.00 52.53 C ATOM 654 CD1 TYR A 47 13.203 -0.861 16.746 1.00 3.12 C ATOM 655 CD2 TYR A 47 11.979 0.890 15.689 1.00 34.41 C ATOM 656 CE1 TYR A 47 13.013 -0.258 17.975 1.00 62.43 C ATOM 657 CE2 TYR A 47 11.785 1.500 16.913 1.00 31.23 C ATOM 658 CZ TYR A 47 12.304 0.922 18.053 1.00 33.21 C ATOM 659 OH TYR A 47 12.113 1.526 19.275 1.00 64.32 O ATOM 0 H TYR A 47 14.504 0.388 12.112 1.00 44.33 H new ATOM 0 HA TYR A 47 15.018 -1.019 14.604 1.00 34.31 H new ATOM 0 HB2 TYR A 47 12.257 -0.482 13.503 1.00 33.03 H new ATOM 0 HB3 TYR A 47 12.586 -2.005 14.306 1.00 33.03 H new ATOM 0 HD1 TYR A 47 13.760 -1.784 16.688 1.00 3.12 H new ATOM 0 HD2 TYR A 47 11.571 1.345 14.798 1.00 34.41 H new ATOM 0 HE1 TYR A 47 13.418 -0.709 18.869 1.00 62.43 H new ATOM 0 HE2 TYR A 47 11.230 2.424 16.977 1.00 31.23 H new ATOM 0 HH TYR A 47 12.541 0.990 19.975 1.00 64.32 H new ATOM 669 N LEU A 48 15.136 -3.157 13.302 1.00 61.23 N ATOM 670 CA LEU A 48 15.435 -4.326 12.482 1.00 61.04 C ATOM 671 C LEU A 48 15.327 -5.608 13.301 1.00 63.11 C ATOM 672 O LEU A 48 15.628 -5.622 14.495 1.00 61.33 O ATOM 673 CB LEU A 48 16.837 -4.207 11.881 1.00 20.23 C ATOM 674 CG LEU A 48 16.971 -4.593 10.408 1.00 61.32 C ATOM 675 CD1 LEU A 48 18.256 -4.028 9.823 1.00 51.24 C ATOM 676 CD2 LEU A 48 16.930 -6.106 10.247 1.00 42.11 C ATOM 0 H LEU A 48 15.364 -3.266 14.290 1.00 61.23 H new ATOM 0 HA LEU A 48 14.703 -4.370 11.675 1.00 61.04 H new ATOM 0 HB2 LEU A 48 17.174 -3.177 11.998 1.00 20.23 H new ATOM 0 HB3 LEU A 48 17.514 -4.832 12.463 1.00 20.23 H new ATOM 0 HG LEU A 48 16.129 -4.167 9.863 1.00 61.32 H new ATOM 0 HD11 LEU A 48 18.334 -4.313 8.774 1.00 51.24 H new ATOM 0 HD12 LEU A 48 18.246 -2.941 9.904 1.00 51.24 H new ATOM 0 HD13 LEU A 48 19.111 -4.424 10.371 1.00 51.24 H new ATOM 0 HD21 LEU A 48 17.027 -6.362 9.192 1.00 42.11 H new ATOM 0 HD22 LEU A 48 17.752 -6.554 10.806 1.00 42.11 H new ATOM 0 HD23 LEU A 48 15.982 -6.487 10.628 1.00 42.11 H new ATOM 688 N LYS A 49 14.898 -6.685 12.651 1.00 1.23 N ATOM 689 CA LYS A 49 14.754 -7.974 13.317 1.00 14.23 C ATOM 690 C LYS A 49 14.831 -9.118 12.311 1.00 12.23 C ATOM 691 O LYS A 49 13.942 -9.284 11.477 1.00 35.12 O ATOM 692 CB LYS A 49 13.424 -8.034 14.073 1.00 24.34 C ATOM 693 CG LYS A 49 13.560 -8.530 15.503 1.00 53.32 C ATOM 694 CD LYS A 49 12.369 -9.379 15.914 1.00 72.44 C ATOM 695 CE LYS A 49 12.635 -10.120 17.215 1.00 21.20 C ATOM 696 NZ LYS A 49 13.554 -11.275 17.018 1.00 60.32 N ATOM 0 H LYS A 49 14.644 -6.690 11.663 1.00 1.23 H new ATOM 0 HA LYS A 49 15.574 -8.082 14.027 1.00 14.23 H new ATOM 0 HB2 LYS A 49 12.976 -7.040 14.083 1.00 24.34 H new ATOM 0 HB3 LYS A 49 12.738 -8.688 13.534 1.00 24.34 H new ATOM 0 HG2 LYS A 49 14.475 -9.114 15.601 1.00 53.32 H new ATOM 0 HG3 LYS A 49 13.651 -7.679 16.177 1.00 53.32 H new ATOM 0 HD2 LYS A 49 11.491 -8.744 16.029 1.00 72.44 H new ATOM 0 HD3 LYS A 49 12.143 -10.096 15.125 1.00 72.44 H new ATOM 0 HE2 LYS A 49 13.067 -9.433 17.943 1.00 21.20 H new ATOM 0 HE3 LYS A 49 11.692 -10.474 17.631 1.00 21.20 H new ATOM 0 HZ1 LYS A 49 13.603 -11.833 17.894 1.00 60.32 H new ATOM 0 HZ2 LYS A 49 13.198 -11.874 16.246 1.00 60.32 H new ATOM 0 HZ3 LYS A 49 14.503 -10.926 16.776 1.00 60.32 H new ATOM 710 N ALA A 50 15.899 -9.904 12.397 1.00 33.11 N ATOM 711 CA ALA A 50 16.090 -11.034 11.497 1.00 75.35 C ATOM 712 C ALA A 50 14.939 -12.028 11.611 1.00 33.25 C ATOM 713 O ALA A 50 14.694 -12.588 12.679 1.00 35.20 O ATOM 714 CB ALA A 50 17.415 -11.723 11.787 1.00 50.30 C ATOM 0 H ALA A 50 16.645 -9.779 13.081 1.00 33.11 H new ATOM 0 HA ALA A 50 16.107 -10.653 10.476 1.00 75.35 H new ATOM 0 HB1 ALA A 50 17.544 -12.565 11.107 1.00 50.30 H new ATOM 0 HB2 ALA A 50 18.232 -11.015 11.646 1.00 50.30 H new ATOM 0 HB3 ALA A 50 17.420 -12.083 12.816 1.00 50.30 H new ATOM 720 N GLY A 51 14.234 -12.242 10.504 1.00 25.10 N ATOM 721 CA GLY A 51 13.117 -13.168 10.503 1.00 61.12 C ATOM 722 C GLY A 51 11.777 -12.460 10.533 1.00 42.02 C ATOM 723 O GLY A 51 11.132 -12.294 9.498 1.00 73.22 O ATOM 0 H GLY A 51 14.417 -11.790 9.608 1.00 25.10 H new ATOM 0 HA2 GLY A 51 13.172 -13.798 9.615 1.00 61.12 H new ATOM 0 HA3 GLY A 51 13.195 -13.828 11.367 1.00 61.12 H new ATOM 727 N SER A 52 11.357 -12.042 11.723 1.00 72.44 N ATOM 728 CA SER A 52 10.082 -11.353 11.884 1.00 21.02 C ATOM 729 C SER A 52 10.287 -9.843 11.959 1.00 33.00 C ATOM 730 O SER A 52 11.399 -9.345 11.781 1.00 33.41 O ATOM 731 CB SER A 52 9.368 -11.845 13.145 1.00 61.45 C ATOM 732 OG SER A 52 9.949 -11.287 14.311 1.00 74.35 O ATOM 0 H SER A 52 11.881 -12.168 12.589 1.00 72.44 H new ATOM 0 HA SER A 52 9.464 -11.576 11.014 1.00 21.02 H new ATOM 0 HB2 SER A 52 8.313 -11.577 13.097 1.00 61.45 H new ATOM 0 HB3 SER A 52 9.419 -12.933 13.194 1.00 61.45 H new ATOM 0 HG SER A 52 9.474 -11.616 15.103 1.00 74.35 H new ATOM 738 N LYS A 53 9.205 -9.118 12.224 1.00 70.23 N ATOM 739 CA LYS A 53 9.263 -7.665 12.324 1.00 50.31 C ATOM 740 C LYS A 53 9.467 -7.227 13.771 1.00 53.22 C ATOM 741 O LYS A 53 8.807 -7.712 14.690 1.00 1.02 O ATOM 742 CB LYS A 53 7.980 -7.043 11.768 1.00 61.04 C ATOM 743 CG LYS A 53 6.824 -7.049 12.753 1.00 62.20 C ATOM 744 CD LYS A 53 6.775 -5.764 13.562 1.00 34.35 C ATOM 745 CE LYS A 53 6.032 -4.665 12.818 1.00 31.14 C ATOM 746 NZ LYS A 53 6.887 -4.021 11.783 1.00 13.22 N ATOM 0 H LYS A 53 8.277 -9.514 12.373 1.00 70.23 H new ATOM 0 HA LYS A 53 10.112 -7.319 11.735 1.00 50.31 H new ATOM 0 HB2 LYS A 53 8.185 -6.015 11.468 1.00 61.04 H new ATOM 0 HB3 LYS A 53 7.684 -7.584 10.870 1.00 61.04 H new ATOM 0 HG2 LYS A 53 5.886 -7.176 12.213 1.00 62.20 H new ATOM 0 HG3 LYS A 53 6.923 -7.900 13.426 1.00 62.20 H new ATOM 0 HD2 LYS A 53 6.286 -5.953 14.518 1.00 34.35 H new ATOM 0 HD3 LYS A 53 7.790 -5.433 13.783 1.00 34.35 H new ATOM 0 HE2 LYS A 53 5.143 -5.083 12.346 1.00 31.14 H new ATOM 0 HE3 LYS A 53 5.692 -3.912 13.528 1.00 31.14 H new ATOM 0 HZ1 LYS A 53 6.544 -3.056 11.601 1.00 13.22 H new ATOM 0 HZ2 LYS A 53 7.870 -3.981 12.120 1.00 13.22 H new ATOM 0 HZ3 LYS A 53 6.845 -4.575 10.904 1.00 13.22 H new ATOM 760 N PRO A 54 10.400 -6.287 13.980 1.00 44.24 N ATOM 761 CA PRO A 54 10.711 -5.762 15.313 1.00 53.45 C ATOM 762 C PRO A 54 9.582 -4.905 15.875 1.00 11.41 C ATOM 763 O PRO A 54 8.941 -4.146 15.147 1.00 61.25 O ATOM 764 CB PRO A 54 11.961 -4.911 15.076 1.00 2.13 C ATOM 765 CG PRO A 54 11.885 -4.515 13.642 1.00 31.40 C ATOM 766 CD PRO A 54 11.225 -5.664 12.930 1.00 12.24 C ATOM 0 HA PRO A 54 10.854 -6.559 16.043 1.00 53.45 H new ATOM 0 HB2 PRO A 54 11.974 -4.037 15.728 1.00 2.13 H new ATOM 0 HB3 PRO A 54 12.870 -5.476 15.283 1.00 2.13 H new ATOM 0 HG2 PRO A 54 11.309 -3.598 13.520 1.00 31.40 H new ATOM 0 HG3 PRO A 54 12.879 -4.324 13.237 1.00 31.40 H new ATOM 0 HD2 PRO A 54 10.618 -5.322 12.092 1.00 12.24 H new ATOM 0 HD3 PRO A 54 11.959 -6.363 12.528 1.00 12.24 H new ATOM 774 N THR A 55 9.343 -5.029 17.177 1.00 73.30 N ATOM 775 CA THR A 55 8.291 -4.267 17.837 1.00 13.22 C ATOM 776 C THR A 55 8.870 -3.089 18.613 1.00 35.10 C ATOM 777 O THR A 55 10.084 -2.890 18.645 1.00 4.42 O ATOM 778 CB THR A 55 7.476 -5.151 18.800 1.00 2.24 C ATOM 779 OG1 THR A 55 8.097 -5.170 20.091 1.00 72.32 O ATOM 780 CG2 THR A 55 7.361 -6.570 18.266 1.00 63.32 C ATOM 0 H THR A 55 9.864 -5.651 17.795 1.00 73.30 H new ATOM 0 HA THR A 55 7.632 -3.894 17.053 1.00 13.22 H new ATOM 0 HB THR A 55 6.474 -4.730 18.885 1.00 2.24 H new ATOM 0 HG1 THR A 55 7.572 -5.733 20.698 1.00 72.32 H new ATOM 0 HG21 THR A 55 6.781 -7.175 18.963 1.00 63.32 H new ATOM 0 HG22 THR A 55 6.862 -6.555 17.297 1.00 63.32 H new ATOM 0 HG23 THR A 55 8.357 -6.999 18.155 1.00 63.32 H new ATOM 788 N THR A 56 7.993 -2.310 19.239 1.00 75.11 N ATOM 789 CA THR A 56 8.417 -1.152 20.015 1.00 54.54 C ATOM 790 C THR A 56 9.239 -1.573 21.227 1.00 14.33 C ATOM 791 O THR A 56 9.904 -0.749 21.855 1.00 41.35 O ATOM 792 CB THR A 56 7.209 -0.321 20.490 1.00 23.42 C ATOM 793 OG1 THR A 56 6.216 -1.182 21.058 1.00 22.35 O ATOM 794 CG2 THR A 56 6.606 0.466 19.337 1.00 74.53 C ATOM 0 H THR A 56 6.984 -2.461 19.223 1.00 75.11 H new ATOM 0 HA THR A 56 9.034 -0.539 19.357 1.00 54.54 H new ATOM 0 HB THR A 56 7.555 0.383 21.247 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.452 -0.647 21.359 1.00 22.35 H new ATOM 0 HG21 THR A 56 5.755 1.044 19.697 1.00 74.53 H new ATOM 0 HG22 THR A 56 7.356 1.141 18.926 1.00 74.53 H new ATOM 0 HG23 THR A 56 6.274 -0.223 18.561 1.00 74.53 H new ATOM 802 N SER A 57 9.189 -2.861 21.552 1.00 14.41 N ATOM 803 CA SER A 57 9.927 -3.391 22.692 1.00 12.34 C ATOM 804 C SER A 57 10.917 -4.462 22.248 1.00 63.53 C ATOM 805 O SER A 57 11.938 -4.688 22.898 1.00 61.05 O ATOM 806 CB SER A 57 8.961 -3.971 23.727 1.00 12.32 C ATOM 807 OG SER A 57 8.295 -2.941 24.437 1.00 52.31 O ATOM 0 H SER A 57 8.645 -3.557 21.042 1.00 14.41 H new ATOM 0 HA SER A 57 10.484 -2.571 23.145 1.00 12.34 H new ATOM 0 HB2 SER A 57 8.228 -4.606 23.229 1.00 12.32 H new ATOM 0 HB3 SER A 57 9.509 -4.603 24.426 1.00 12.32 H new ATOM 0 HG SER A 57 7.682 -3.338 25.091 1.00 52.31 H new ATOM 813 N SER A 58 10.608 -5.120 21.135 1.00 34.40 N ATOM 814 CA SER A 58 11.468 -6.172 20.604 1.00 15.40 C ATOM 815 C SER A 58 12.274 -5.664 19.412 1.00 15.23 C ATOM 816 O SER A 58 11.715 -5.135 18.451 1.00 33.04 O ATOM 817 CB SER A 58 10.631 -7.383 20.189 1.00 33.32 C ATOM 818 OG SER A 58 11.019 -8.541 20.908 1.00 70.32 O ATOM 0 H SER A 58 9.768 -4.943 20.583 1.00 34.40 H new ATOM 0 HA SER A 58 12.162 -6.471 21.389 1.00 15.40 H new ATOM 0 HB2 SER A 58 9.575 -7.178 20.366 1.00 33.32 H new ATOM 0 HB3 SER A 58 10.746 -7.559 19.120 1.00 33.32 H new ATOM 0 HG SER A 58 10.468 -9.301 20.626 1.00 70.32 H new ATOM 824 N TRP A 59 13.589 -5.829 19.483 1.00 4.32 N ATOM 825 CA TRP A 59 14.474 -5.387 18.411 1.00 74.25 C ATOM 826 C TRP A 59 15.729 -6.250 18.350 1.00 70.30 C ATOM 827 O TRP A 59 16.142 -6.833 19.353 1.00 51.30 O ATOM 828 CB TRP A 59 14.858 -3.920 18.609 1.00 35.15 C ATOM 829 CG TRP A 59 14.587 -3.418 19.996 1.00 50.05 C ATOM 830 CD1 TRP A 59 13.418 -2.888 20.461 1.00 11.44 C ATOM 831 CD2 TRP A 59 15.505 -3.398 21.094 1.00 50.40 C ATOM 832 NE1 TRP A 59 13.554 -2.539 21.783 1.00 12.25 N ATOM 833 CE2 TRP A 59 14.824 -2.842 22.195 1.00 25.33 C ATOM 834 CE3 TRP A 59 16.835 -3.796 21.255 1.00 34.32 C ATOM 835 CZ2 TRP A 59 15.431 -2.676 23.438 1.00 53.24 C ATOM 836 CZ3 TRP A 59 17.435 -3.630 22.489 1.00 71.03 C ATOM 837 CH2 TRP A 59 16.733 -3.075 23.567 1.00 3.40 C ATOM 0 H TRP A 59 14.067 -6.266 20.271 1.00 4.32 H new ATOM 0 HA TRP A 59 13.939 -5.490 17.467 1.00 74.25 H new ATOM 0 HB2 TRP A 59 15.918 -3.796 18.386 1.00 35.15 H new ATOM 0 HB3 TRP A 59 14.308 -3.308 17.894 1.00 35.15 H new ATOM 0 HD1 TRP A 59 12.519 -2.762 19.876 1.00 11.44 H new ATOM 0 HE1 TRP A 59 12.826 -2.122 22.364 1.00 12.25 H new ATOM 0 HE3 TRP A 59 17.384 -4.226 20.430 1.00 34.32 H new ATOM 0 HZ2 TRP A 59 14.893 -2.247 24.270 1.00 53.24 H new ATOM 0 HZ3 TRP A 59 18.463 -3.933 22.625 1.00 71.03 H new ATOM 0 HH2 TRP A 59 17.230 -2.960 24.519 1.00 3.40 H new ATOM 848 N ASP A 60 16.332 -6.328 17.169 1.00 73.22 N ATOM 849 CA ASP A 60 17.542 -7.120 16.978 1.00 14.24 C ATOM 850 C ASP A 60 18.739 -6.220 16.689 1.00 25.54 C ATOM 851 O ASP A 60 19.871 -6.541 17.055 1.00 1.43 O ATOM 852 CB ASP A 60 17.349 -8.117 15.835 1.00 25.41 C ATOM 853 CG ASP A 60 18.462 -9.145 15.770 1.00 2.02 C ATOM 854 OD1 ASP A 60 18.759 -9.764 16.813 1.00 5.53 O ATOM 855 OD2 ASP A 60 19.036 -9.330 14.677 1.00 44.05 O ATOM 0 H ASP A 60 16.003 -5.852 16.329 1.00 73.22 H new ATOM 0 HA ASP A 60 17.737 -7.669 17.899 1.00 14.24 H new ATOM 0 HB2 ASP A 60 16.394 -8.627 15.959 1.00 25.41 H new ATOM 0 HB3 ASP A 60 17.301 -7.577 14.889 1.00 25.41 H new ATOM 860 N CYS A 61 18.483 -5.096 16.031 1.00 40.05 N ATOM 861 CA CYS A 61 19.541 -4.151 15.690 1.00 13.24 C ATOM 862 C CYS A 61 19.051 -2.713 15.831 1.00 22.24 C ATOM 863 O CYS A 61 18.063 -2.320 15.211 1.00 2.32 O ATOM 864 CB CYS A 61 20.034 -4.397 14.264 1.00 53.12 C ATOM 865 SG CYS A 61 20.564 -6.097 13.949 1.00 53.32 S ATOM 0 H CYS A 61 17.552 -4.816 15.722 1.00 40.05 H new ATOM 0 HA CYS A 61 20.368 -4.304 16.383 1.00 13.24 H new ATOM 0 HB2 CYS A 61 19.237 -4.141 13.566 1.00 53.12 H new ATOM 0 HB3 CYS A 61 20.866 -3.724 14.058 1.00 53.12 H new ATOM 0 HG CYS A 61 20.962 -6.206 12.716 1.00 53.32 H new ATOM 871 N ARG A 62 19.748 -1.934 16.652 1.00 21.22 N ATOM 872 CA ARG A 62 19.383 -0.541 16.877 1.00 13.12 C ATOM 873 C ARG A 62 20.290 0.097 17.925 1.00 32.35 C ATOM 874 O ARG A 62 20.563 -0.480 18.979 1.00 42.54 O ATOM 875 CB ARG A 62 17.922 -0.440 17.322 1.00 43.25 C ATOM 876 CG ARG A 62 17.598 0.850 18.058 1.00 33.51 C ATOM 877 CD ARG A 62 16.162 1.286 17.811 1.00 21.11 C ATOM 878 NE ARG A 62 15.557 1.877 19.002 1.00 61.13 N ATOM 879 CZ ARG A 62 15.265 1.186 20.098 1.00 75.54 C ATOM 880 NH1 ARG A 62 15.521 -0.114 20.154 1.00 74.13 N ATOM 881 NH2 ARG A 62 14.715 1.794 21.141 1.00 41.53 N ATOM 0 H ARG A 62 20.569 -2.244 17.172 1.00 21.22 H new ATOM 0 HA ARG A 62 19.508 -0.003 15.937 1.00 13.12 H new ATOM 0 HB2 ARG A 62 17.278 -0.521 16.446 1.00 43.25 H new ATOM 0 HB3 ARG A 62 17.688 -1.286 17.969 1.00 43.25 H new ATOM 0 HG2 ARG A 62 17.758 0.710 19.127 1.00 33.51 H new ATOM 0 HG3 ARG A 62 18.279 1.637 17.733 1.00 33.51 H new ATOM 0 HD2 ARG A 62 16.138 2.009 16.995 1.00 21.11 H new ATOM 0 HD3 ARG A 62 15.572 0.427 17.493 1.00 21.11 H new ATOM 0 HE ARG A 62 15.347 2.875 18.991 1.00 61.13 H new ATOM 0 HH11 ARG A 62 15.943 -0.586 19.354 1.00 74.13 H new ATOM 0 HH12 ARG A 62 15.296 -0.642 20.997 1.00 74.13 H new ATOM 0 HH21 ARG A 62 14.516 2.794 21.102 1.00 41.53 H new ATOM 0 HH22 ARG A 62 14.491 1.262 21.982 1.00 41.53 H new ATOM 895 N PRO A 63 20.769 1.315 17.632 1.00 73.20 N ATOM 896 CA PRO A 63 21.652 2.057 18.536 1.00 1.02 C ATOM 897 C PRO A 63 20.928 2.536 19.790 1.00 42.22 C ATOM 898 O PRO A 63 21.347 3.501 20.429 1.00 12.53 O ATOM 899 CB PRO A 63 22.104 3.250 17.690 1.00 13.34 C ATOM 900 CG PRO A 63 21.018 3.436 16.688 1.00 52.44 C ATOM 901 CD PRO A 63 20.484 2.061 16.395 1.00 2.41 C ATOM 0 HA PRO A 63 22.473 1.440 18.901 1.00 1.02 H new ATOM 0 HB2 PRO A 63 22.235 4.142 18.302 1.00 13.34 H new ATOM 0 HB3 PRO A 63 23.060 3.052 17.206 1.00 13.34 H new ATOM 0 HG2 PRO A 63 20.234 4.084 17.079 1.00 52.44 H new ATOM 0 HG3 PRO A 63 21.399 3.908 15.782 1.00 52.44 H new ATOM 0 HD2 PRO A 63 19.417 2.083 16.175 1.00 2.41 H new ATOM 0 HD3 PRO A 63 20.978 1.613 15.533 1.00 2.41 H new ATOM 909 N TYR A 64 19.841 1.856 20.136 1.00 61.11 N ATOM 910 CA TYR A 64 19.058 2.214 21.313 1.00 71.24 C ATOM 911 C TYR A 64 18.714 3.700 21.307 1.00 41.23 C ATOM 912 O TYR A 64 19.271 4.481 22.079 1.00 62.41 O ATOM 913 CB TYR A 64 19.825 1.861 22.588 1.00 11.42 C ATOM 914 CG TYR A 64 18.935 1.420 23.728 1.00 75.44 C ATOM 915 CD1 TYR A 64 17.628 1.882 23.834 1.00 64.02 C ATOM 916 CD2 TYR A 64 19.399 0.541 24.698 1.00 22.12 C ATOM 917 CE1 TYR A 64 16.811 1.482 24.873 1.00 24.34 C ATOM 918 CE2 TYR A 64 18.589 0.134 25.740 1.00 12.24 C ATOM 919 CZ TYR A 64 17.296 0.607 25.824 1.00 51.42 C ATOM 920 OH TYR A 64 16.486 0.206 26.861 1.00 30.32 O ATOM 0 H TYR A 64 19.482 1.054 19.618 1.00 61.11 H new ATOM 0 HA TYR A 64 18.129 1.645 21.287 1.00 71.24 H new ATOM 0 HB2 TYR A 64 20.537 1.066 22.365 1.00 11.42 H new ATOM 0 HB3 TYR A 64 20.405 2.728 22.905 1.00 11.42 H new ATOM 0 HD1 TYR A 64 17.245 2.566 23.091 1.00 64.02 H new ATOM 0 HD2 TYR A 64 20.411 0.169 24.636 1.00 22.12 H new ATOM 0 HE1 TYR A 64 15.799 1.852 24.941 1.00 24.34 H new ATOM 0 HE2 TYR A 64 18.966 -0.551 26.485 1.00 12.24 H new ATOM 0 HH TYR A 64 16.979 -0.411 27.441 1.00 30.32 H new ATOM 930 N ARG A 65 17.792 4.084 20.430 1.00 11.01 N ATOM 931 CA ARG A 65 17.373 5.476 20.322 1.00 1.31 C ATOM 932 C ARG A 65 16.314 5.643 19.237 1.00 73.34 C ATOM 933 O ARG A 65 15.806 4.661 18.694 1.00 21.45 O ATOM 934 CB ARG A 65 18.576 6.371 20.017 1.00 30.21 C ATOM 935 CG ARG A 65 18.825 7.438 21.071 1.00 75.41 C ATOM 936 CD ARG A 65 20.300 7.791 21.168 1.00 3.15 C ATOM 937 NE ARG A 65 20.999 6.959 22.144 1.00 62.41 N ATOM 938 CZ ARG A 65 20.953 7.167 23.455 1.00 64.00 C ATOM 939 NH1 ARG A 65 20.245 8.175 23.945 1.00 42.10 N ATOM 940 NH2 ARG A 65 21.616 6.366 24.279 1.00 64.31 N ATOM 0 H ARG A 65 17.321 3.450 19.784 1.00 11.01 H new ATOM 0 HA ARG A 65 16.940 5.773 21.277 1.00 1.31 H new ATOM 0 HB2 ARG A 65 19.466 5.749 19.924 1.00 30.21 H new ATOM 0 HB3 ARG A 65 18.423 6.854 19.052 1.00 30.21 H new ATOM 0 HG2 ARG A 65 18.251 8.332 20.828 1.00 75.41 H new ATOM 0 HG3 ARG A 65 18.470 7.085 22.039 1.00 75.41 H new ATOM 0 HD2 ARG A 65 20.766 7.672 20.190 1.00 3.15 H new ATOM 0 HD3 ARG A 65 20.404 8.840 21.445 1.00 3.15 H new ATOM 0 HE ARG A 65 21.553 6.175 21.800 1.00 62.41 H new ATOM 0 HH11 ARG A 65 19.734 8.793 23.315 1.00 42.10 H new ATOM 0 HH12 ARG A 65 20.211 8.332 24.952 1.00 42.10 H new ATOM 0 HH21 ARG A 65 22.162 5.589 23.906 1.00 64.31 H new ATOM 0 HH22 ARG A 65 21.580 6.527 25.286 1.00 64.31 H new ATOM 954 N TYR A 66 15.985 6.891 18.925 1.00 14.30 N ATOM 955 CA TYR A 66 14.984 7.186 17.907 1.00 54.53 C ATOM 956 C TYR A 66 15.501 8.228 16.920 1.00 43.42 C ATOM 957 O TYR A 66 16.654 8.653 16.995 1.00 35.10 O ATOM 958 CB TYR A 66 13.693 7.683 18.560 1.00 54.34 C ATOM 959 CG TYR A 66 13.183 6.779 19.659 1.00 3.13 C ATOM 960 CD1 TYR A 66 13.123 5.402 19.481 1.00 12.41 C ATOM 961 CD2 TYR A 66 12.762 7.301 20.876 1.00 52.32 C ATOM 962 CE1 TYR A 66 12.658 4.572 20.483 1.00 55.34 C ATOM 963 CE2 TYR A 66 12.297 6.479 21.883 1.00 35.33 C ATOM 964 CZ TYR A 66 12.246 5.115 21.682 1.00 41.10 C ATOM 965 OH TYR A 66 11.782 4.293 22.683 1.00 71.53 O ATOM 0 H TYR A 66 16.397 7.715 19.363 1.00 14.30 H new ATOM 0 HA TYR A 66 14.777 6.266 17.361 1.00 54.53 H new ATOM 0 HB2 TYR A 66 13.863 8.679 18.970 1.00 54.34 H new ATOM 0 HB3 TYR A 66 12.923 7.781 17.795 1.00 54.34 H new ATOM 0 HD1 TYR A 66 13.445 4.973 18.544 1.00 12.41 H new ATOM 0 HD2 TYR A 66 12.799 8.368 21.037 1.00 52.32 H new ATOM 0 HE1 TYR A 66 12.617 3.504 20.328 1.00 55.34 H new ATOM 0 HE2 TYR A 66 11.975 6.902 22.823 1.00 35.33 H new ATOM 0 HH TYR A 66 11.533 4.834 23.462 1.00 71.53 H new ATOM 975 N GLY A 67 14.639 8.637 15.994 1.00 70.23 N ATOM 976 CA GLY A 67 15.026 9.626 15.005 1.00 72.13 C ATOM 977 C GLY A 67 16.161 9.149 14.120 1.00 33.45 C ATOM 978 O GLY A 67 16.887 8.222 14.477 1.00 32.15 O ATOM 0 H GLY A 67 13.680 8.301 15.911 1.00 70.23 H new ATOM 0 HA2 GLY A 67 14.164 9.871 14.384 1.00 72.13 H new ATOM 0 HA3 GLY A 67 15.325 10.544 15.511 1.00 72.13 H new ATOM 982 N ASN A 68 16.313 9.782 12.962 1.00 11.21 N ATOM 983 CA ASN A 68 17.366 9.415 12.023 1.00 44.02 C ATOM 984 C ASN A 68 18.739 9.504 12.683 1.00 40.22 C ATOM 985 O ASN A 68 18.849 9.790 13.874 1.00 15.42 O ATOM 986 CB ASN A 68 17.320 10.323 10.792 1.00 60.41 C ATOM 987 CG ASN A 68 17.958 11.675 11.046 1.00 33.13 C ATOM 988 OD1 ASN A 68 19.182 11.803 11.062 1.00 10.20 O ATOM 989 ND2 ASN A 68 17.128 12.692 11.247 1.00 34.24 N ATOM 0 H ASN A 68 15.720 10.552 12.651 1.00 11.21 H new ATOM 0 HA ASN A 68 17.198 8.384 11.712 1.00 44.02 H new ATOM 0 HB2 ASN A 68 17.831 9.833 9.963 1.00 60.41 H new ATOM 0 HB3 ASN A 68 16.283 10.465 10.487 1.00 60.41 H new ATOM 0 HD21 ASN A 68 17.499 13.626 11.424 1.00 34.24 H new ATOM 0 HD22 ASN A 68 16.120 12.539 11.225 1.00 34.24 H new ATOM 996 N ASN A 69 19.784 9.258 11.899 1.00 73.40 N ATOM 997 CA ASN A 69 21.150 9.310 12.407 1.00 13.00 C ATOM 998 C ASN A 69 21.395 8.200 13.424 1.00 33.24 C ATOM 999 O ASN A 69 22.416 8.188 14.111 1.00 40.44 O ATOM 1000 CB ASN A 69 21.426 10.673 13.046 1.00 65.43 C ATOM 1001 CG ASN A 69 22.909 10.943 13.211 1.00 5.10 C ATOM 1002 OD1 ASN A 69 23.748 10.203 12.696 1.00 11.12 O ATOM 1003 ND2 ASN A 69 23.240 12.008 13.933 1.00 74.14 N ATOM 0 H ASN A 69 19.711 9.021 10.910 1.00 73.40 H new ATOM 0 HA ASN A 69 21.830 9.165 11.567 1.00 13.00 H new ATOM 0 HB2 ASN A 69 20.983 11.456 12.431 1.00 65.43 H new ATOM 0 HB3 ASN A 69 20.940 10.720 14.021 1.00 65.43 H new ATOM 0 HD21 ASN A 69 24.223 12.240 14.079 1.00 74.14 H new ATOM 0 HD22 ASN A 69 22.512 12.594 14.341 1.00 74.14 H new ATOM 1010 N GLU A 70 20.451 7.268 13.515 1.00 54.33 N ATOM 1011 CA GLU A 70 20.565 6.154 14.448 1.00 14.14 C ATOM 1012 C GLU A 70 20.394 4.820 13.727 1.00 3.21 C ATOM 1013 O GLU A 70 19.279 4.319 13.581 1.00 43.44 O ATOM 1014 CB GLU A 70 19.521 6.282 15.560 1.00 53.32 C ATOM 1015 CG GLU A 70 20.027 7.019 16.788 1.00 22.04 C ATOM 1016 CD GLU A 70 20.925 8.190 16.438 1.00 70.41 C ATOM 1017 OE1 GLU A 70 20.411 9.191 15.898 1.00 41.24 O ATOM 1018 OE2 GLU A 70 22.142 8.104 16.705 1.00 61.33 O ATOM 0 H GLU A 70 19.599 7.263 12.954 1.00 54.33 H new ATOM 0 HA GLU A 70 21.561 6.184 14.889 1.00 14.14 H new ATOM 0 HB2 GLU A 70 18.647 6.803 15.168 1.00 53.32 H new ATOM 0 HB3 GLU A 70 19.192 5.285 15.855 1.00 53.32 H new ATOM 0 HG2 GLU A 70 19.177 7.379 17.367 1.00 22.04 H new ATOM 0 HG3 GLU A 70 20.575 6.324 17.424 1.00 22.04 H new ATOM 1025 N SER A 71 21.508 4.251 13.278 1.00 21.50 N ATOM 1026 CA SER A 71 21.483 2.977 12.568 1.00 52.10 C ATOM 1027 C SER A 71 22.560 2.037 13.101 1.00 73.35 C ATOM 1028 O SER A 71 23.406 2.435 13.902 1.00 35.44 O ATOM 1029 CB SER A 71 21.682 3.202 11.068 1.00 61.52 C ATOM 1030 OG SER A 71 21.126 4.439 10.659 1.00 10.20 O ATOM 0 H SER A 71 22.439 4.652 13.393 1.00 21.50 H new ATOM 0 HA SER A 71 20.509 2.516 12.733 1.00 52.10 H new ATOM 0 HB2 SER A 71 22.746 3.183 10.832 1.00 61.52 H new ATOM 0 HB3 SER A 71 21.217 2.389 10.510 1.00 61.52 H new ATOM 0 HG SER A 71 21.603 5.173 11.099 1.00 10.20 H new ATOM 1036 N CYS A 72 22.521 0.788 12.649 1.00 5.10 N ATOM 1037 CA CYS A 72 23.493 -0.211 13.080 1.00 41.11 C ATOM 1038 C CYS A 72 24.288 -0.744 11.892 1.00 34.23 C ATOM 1039 O CYS A 72 23.842 -0.663 10.748 1.00 42.44 O ATOM 1040 CB CYS A 72 22.787 -1.363 13.796 1.00 64.41 C ATOM 1041 SG CYS A 72 23.749 -2.097 15.140 1.00 63.25 S ATOM 0 H CYS A 72 21.828 0.443 11.985 1.00 5.10 H new ATOM 0 HA CYS A 72 24.186 0.267 13.772 1.00 41.11 H new ATOM 0 HB2 CYS A 72 21.840 -1.002 14.197 1.00 64.41 H new ATOM 0 HB3 CYS A 72 22.550 -2.138 13.068 1.00 64.41 H new ATOM 0 HG CYS A 72 23.068 -3.061 15.685 1.00 63.25 H new ATOM 1047 N SER A 73 25.467 -1.289 12.173 1.00 43.13 N ATOM 1048 CA SER A 73 26.327 -1.831 11.127 1.00 50.21 C ATOM 1049 C SER A 73 26.760 -3.255 11.463 1.00 53.30 C ATOM 1050 O SER A 73 27.554 -3.475 12.377 1.00 30.14 O ATOM 1051 CB SER A 73 27.558 -0.943 10.938 1.00 3.54 C ATOM 1052 OG SER A 73 28.023 -0.445 12.181 1.00 2.11 O ATOM 0 H SER A 73 25.849 -1.367 13.116 1.00 43.13 H new ATOM 0 HA SER A 73 25.757 -1.853 10.198 1.00 50.21 H new ATOM 0 HB2 SER A 73 28.350 -1.512 10.452 1.00 3.54 H new ATOM 0 HB3 SER A 73 27.312 -0.111 10.278 1.00 3.54 H new ATOM 0 HG SER A 73 28.811 0.118 12.033 1.00 2.11 H new ATOM 1058 N VAL A 74 26.231 -4.219 10.716 1.00 11.03 N ATOM 1059 CA VAL A 74 26.562 -5.622 10.933 1.00 62.21 C ATOM 1060 C VAL A 74 26.478 -6.414 9.633 1.00 43.23 C ATOM 1061 O VAL A 74 25.730 -6.056 8.723 1.00 3.40 O ATOM 1062 CB VAL A 74 25.627 -6.265 11.974 1.00 72.41 C ATOM 1063 CG1 VAL A 74 26.098 -7.670 12.320 1.00 2.53 C ATOM 1064 CG2 VAL A 74 25.543 -5.399 13.222 1.00 62.33 C ATOM 0 H VAL A 74 25.572 -4.054 9.956 1.00 11.03 H new ATOM 0 HA VAL A 74 27.585 -5.651 11.308 1.00 62.21 H new ATOM 0 HB VAL A 74 24.628 -6.339 11.543 1.00 72.41 H new ATOM 0 HG11 VAL A 74 25.425 -8.108 13.057 1.00 2.53 H new ATOM 0 HG12 VAL A 74 26.101 -8.285 11.420 1.00 2.53 H new ATOM 0 HG13 VAL A 74 27.106 -7.625 12.731 1.00 2.53 H new ATOM 0 HG21 VAL A 74 24.878 -5.869 13.947 1.00 62.33 H new ATOM 0 HG22 VAL A 74 26.536 -5.291 13.658 1.00 62.33 H new ATOM 0 HG23 VAL A 74 25.154 -4.416 12.957 1.00 62.33 H new ATOM 1074 N SER A 75 27.251 -7.492 9.552 1.00 33.51 N ATOM 1075 CA SER A 75 27.267 -8.334 8.361 1.00 34.14 C ATOM 1076 C SER A 75 25.998 -9.178 8.276 1.00 44.14 C ATOM 1077 O SER A 75 25.845 -10.162 8.998 1.00 72.42 O ATOM 1078 CB SER A 75 28.498 -9.242 8.369 1.00 34.44 C ATOM 1079 OG SER A 75 28.411 -10.209 9.402 1.00 4.02 O ATOM 0 H SER A 75 27.875 -7.803 10.297 1.00 33.51 H new ATOM 0 HA SER A 75 27.310 -7.684 7.487 1.00 34.14 H new ATOM 0 HB2 SER A 75 28.591 -9.742 7.405 1.00 34.44 H new ATOM 0 HB3 SER A 75 29.397 -8.640 8.504 1.00 34.44 H new ATOM 0 HG SER A 75 27.493 -10.549 9.455 1.00 4.02 H new ATOM 1085 N ALA A 76 25.092 -8.784 7.387 1.00 62.12 N ATOM 1086 CA ALA A 76 23.838 -9.504 7.204 1.00 21.11 C ATOM 1087 C ALA A 76 24.026 -10.711 6.291 1.00 52.44 C ATOM 1088 O ALA A 76 24.615 -10.601 5.216 1.00 71.33 O ATOM 1089 CB ALA A 76 22.773 -8.575 6.642 1.00 51.51 C ATOM 0 H ALA A 76 25.203 -7.970 6.782 1.00 62.12 H new ATOM 0 HA ALA A 76 23.510 -9.866 8.178 1.00 21.11 H new ATOM 0 HB1 ALA A 76 21.842 -9.126 6.510 1.00 51.51 H new ATOM 0 HB2 ALA A 76 22.610 -7.748 7.333 1.00 51.51 H new ATOM 0 HB3 ALA A 76 23.102 -8.184 5.679 1.00 51.51 H new ATOM 1095 N ALA A 77 23.522 -11.861 6.726 1.00 53.32 N ATOM 1096 CA ALA A 77 23.633 -13.087 5.946 1.00 20.22 C ATOM 1097 C ALA A 77 22.376 -13.327 5.117 1.00 14.05 C ATOM 1098 O ALA A 77 21.255 -13.062 5.554 1.00 23.43 O ATOM 1099 CB ALA A 77 23.898 -14.273 6.862 1.00 14.24 C ATOM 0 H ALA A 77 23.033 -11.969 7.614 1.00 53.32 H new ATOM 0 HA ALA A 77 24.473 -12.977 5.260 1.00 20.22 H new ATOM 0 HB1 ALA A 77 23.979 -15.182 6.266 1.00 14.24 H new ATOM 0 HB2 ALA A 77 24.829 -14.112 7.406 1.00 14.24 H new ATOM 0 HB3 ALA A 77 23.077 -14.376 7.571 1.00 14.24 H new ATOM 1105 N PRO A 78 22.562 -13.839 3.892 1.00 23.30 N ATOM 1106 CA PRO A 78 21.454 -14.126 2.976 1.00 10.44 C ATOM 1107 C PRO A 78 20.604 -15.301 3.445 1.00 33.42 C ATOM 1108 O PRO A 78 21.034 -16.098 4.278 1.00 11.13 O ATOM 1109 CB PRO A 78 22.159 -14.467 1.661 1.00 3.53 C ATOM 1110 CG PRO A 78 23.507 -14.953 2.069 1.00 32.43 C ATOM 1111 CD PRO A 78 23.870 -14.179 3.306 1.00 31.01 C ATOM 0 HA PRO A 78 20.762 -13.288 2.899 1.00 10.44 H new ATOM 0 HB2 PRO A 78 21.614 -15.231 1.106 1.00 3.53 H new ATOM 0 HB3 PRO A 78 22.232 -13.594 1.013 1.00 3.53 H new ATOM 0 HG2 PRO A 78 23.491 -16.024 2.270 1.00 32.43 H new ATOM 0 HG3 PRO A 78 24.237 -14.788 1.277 1.00 32.43 H new ATOM 0 HD2 PRO A 78 24.474 -14.775 3.990 1.00 31.01 H new ATOM 0 HD3 PRO A 78 24.447 -13.286 3.066 1.00 31.01 H new ATOM 1119 N GLY A 79 19.394 -15.404 2.904 1.00 74.23 N ATOM 1120 CA GLY A 79 18.502 -16.486 3.279 1.00 25.30 C ATOM 1121 C GLY A 79 17.534 -16.086 4.374 1.00 21.44 C ATOM 1122 O GLY A 79 16.482 -16.705 4.541 1.00 41.23 O ATOM 0 H GLY A 79 19.015 -14.757 2.212 1.00 74.23 H new ATOM 0 HA2 GLY A 79 17.941 -16.810 2.403 1.00 25.30 H new ATOM 0 HA3 GLY A 79 19.092 -17.339 3.614 1.00 25.30 H new ATOM 1126 N THR A 80 17.889 -15.049 5.127 1.00 60.24 N ATOM 1127 CA THR A 80 17.045 -14.569 6.214 1.00 65.22 C ATOM 1128 C THR A 80 16.370 -13.253 5.846 1.00 44.11 C ATOM 1129 O THR A 80 17.037 -12.275 5.505 1.00 14.21 O ATOM 1130 CB THR A 80 17.856 -14.373 7.509 1.00 52.00 C ATOM 1131 OG1 THR A 80 18.696 -15.510 7.738 1.00 13.24 O ATOM 1132 CG2 THR A 80 16.931 -14.170 8.700 1.00 25.41 C ATOM 0 H THR A 80 18.756 -14.526 5.004 1.00 60.24 H new ATOM 0 HA THR A 80 16.283 -15.330 6.383 1.00 65.22 H new ATOM 0 HB THR A 80 18.475 -13.483 7.394 1.00 52.00 H new ATOM 0 HG1 THR A 80 19.209 -15.377 8.562 1.00 13.24 H new ATOM 0 HG21 THR A 80 17.526 -14.034 9.603 1.00 25.41 H new ATOM 0 HG22 THR A 80 16.314 -13.287 8.535 1.00 25.41 H new ATOM 0 HG23 THR A 80 16.290 -15.044 8.816 1.00 25.41 H new ATOM 1140 N THR A 81 15.043 -13.234 5.917 1.00 11.42 N ATOM 1141 CA THR A 81 14.277 -12.037 5.591 1.00 23.21 C ATOM 1142 C THR A 81 14.446 -10.967 6.664 1.00 61.24 C ATOM 1143 O THR A 81 14.380 -11.256 7.859 1.00 71.34 O ATOM 1144 CB THR A 81 12.779 -12.355 5.431 1.00 73.51 C ATOM 1145 OG1 THR A 81 12.613 -13.618 4.776 1.00 43.02 O ATOM 1146 CG2 THR A 81 12.077 -11.268 4.632 1.00 50.13 C ATOM 0 H THR A 81 14.476 -14.034 6.197 1.00 11.42 H new ATOM 0 HA THR A 81 14.664 -11.662 4.644 1.00 23.21 H new ATOM 0 HB THR A 81 12.332 -12.400 6.424 1.00 73.51 H new ATOM 0 HG1 THR A 81 11.658 -13.813 4.680 1.00 43.02 H new ATOM 0 HG21 THR A 81 11.020 -11.515 4.532 1.00 50.13 H new ATOM 0 HG22 THR A 81 12.180 -10.313 5.148 1.00 50.13 H new ATOM 0 HG23 THR A 81 12.528 -11.196 3.642 1.00 50.13 H new ATOM 1154 N TYR A 82 14.664 -9.731 6.230 1.00 53.32 N ATOM 1155 CA TYR A 82 14.844 -8.617 7.154 1.00 72.13 C ATOM 1156 C TYR A 82 13.634 -7.688 7.129 1.00 31.14 C ATOM 1157 O TYR A 82 13.140 -7.320 6.063 1.00 45.40 O ATOM 1158 CB TYR A 82 16.109 -7.834 6.801 1.00 44.11 C ATOM 1159 CG TYR A 82 17.388 -8.575 7.118 1.00 24.23 C ATOM 1160 CD1 TYR A 82 17.710 -8.918 8.426 1.00 42.42 C ATOM 1161 CD2 TYR A 82 18.275 -8.934 6.110 1.00 32.01 C ATOM 1162 CE1 TYR A 82 18.878 -9.594 8.720 1.00 20.12 C ATOM 1163 CE2 TYR A 82 19.444 -9.612 6.395 1.00 3.01 C ATOM 1164 CZ TYR A 82 19.742 -9.939 7.702 1.00 73.34 C ATOM 1165 OH TYR A 82 20.905 -10.614 7.991 1.00 63.53 O ATOM 0 H TYR A 82 14.720 -9.475 5.244 1.00 53.32 H new ATOM 0 HA TYR A 82 14.946 -9.025 8.160 1.00 72.13 H new ATOM 0 HB2 TYR A 82 16.092 -7.593 5.738 1.00 44.11 H new ATOM 0 HB3 TYR A 82 16.103 -6.888 7.342 1.00 44.11 H new ATOM 0 HD1 TYR A 82 17.035 -8.651 9.226 1.00 42.42 H new ATOM 0 HD2 TYR A 82 18.046 -8.678 5.086 1.00 32.01 H new ATOM 0 HE1 TYR A 82 19.114 -9.851 9.742 1.00 20.12 H new ATOM 0 HE2 TYR A 82 20.121 -9.885 5.599 1.00 3.01 H new ATOM 0 HH TYR A 82 20.984 -11.396 7.405 1.00 63.53 H new ATOM 1175 N HIS A 83 13.161 -7.312 8.313 1.00 33.34 N ATOM 1176 CA HIS A 83 12.009 -6.425 8.430 1.00 41.22 C ATOM 1177 C HIS A 83 12.433 -5.047 8.929 1.00 2.04 C ATOM 1178 O HIS A 83 13.383 -4.921 9.702 1.00 0.15 O ATOM 1179 CB HIS A 83 10.969 -7.025 9.376 1.00 23.43 C ATOM 1180 CG HIS A 83 10.147 -8.110 8.752 1.00 72.32 C ATOM 1181 ND1 HIS A 83 8.831 -7.937 8.379 1.00 15.04 N ATOM 1182 CD2 HIS A 83 10.461 -9.388 8.433 1.00 5.40 C ATOM 1183 CE1 HIS A 83 8.371 -9.061 7.860 1.00 35.32 C ATOM 1184 NE2 HIS A 83 9.341 -9.957 7.881 1.00 73.33 N ATOM 0 H HIS A 83 13.558 -7.608 9.205 1.00 33.34 H new ATOM 0 HA HIS A 83 11.566 -6.314 7.440 1.00 41.22 H new ATOM 0 HB2 HIS A 83 11.476 -7.424 10.254 1.00 23.43 H new ATOM 0 HB3 HIS A 83 10.306 -6.233 9.724 1.00 23.43 H new ATOM 0 HD2 HIS A 83 11.416 -9.870 8.585 1.00 5.40 H new ATOM 0 HE1 HIS A 83 7.372 -9.220 7.483 1.00 35.32 H new ATOM 0 HE2 HIS A 83 9.269 -10.916 7.542 1.00 73.33 H new ATOM 1192 N VAL A 84 11.723 -4.016 8.482 1.00 63.11 N ATOM 1193 CA VAL A 84 12.026 -2.648 8.884 1.00 52.53 C ATOM 1194 C VAL A 84 10.810 -1.978 9.514 1.00 32.33 C ATOM 1195 O VAL A 84 9.685 -2.139 9.041 1.00 44.43 O ATOM 1196 CB VAL A 84 12.500 -1.803 7.686 1.00 15.20 C ATOM 1197 CG1 VAL A 84 13.211 -0.547 8.166 1.00 25.33 C ATOM 1198 CG2 VAL A 84 13.403 -2.624 6.779 1.00 24.44 C ATOM 0 H VAL A 84 10.934 -4.102 7.841 1.00 63.11 H new ATOM 0 HA VAL A 84 12.828 -2.705 9.620 1.00 52.53 H new ATOM 0 HB VAL A 84 11.626 -1.499 7.110 1.00 15.20 H new ATOM 0 HG11 VAL A 84 13.538 0.037 7.306 1.00 25.33 H new ATOM 0 HG12 VAL A 84 12.528 0.049 8.771 1.00 25.33 H new ATOM 0 HG13 VAL A 84 14.077 -0.826 8.766 1.00 25.33 H new ATOM 0 HG21 VAL A 84 13.728 -2.011 5.938 1.00 24.44 H new ATOM 0 HG22 VAL A 84 14.274 -2.961 7.341 1.00 24.44 H new ATOM 0 HG23 VAL A 84 12.855 -3.489 6.407 1.00 24.44 H new ATOM 1208 N MET A 85 11.044 -1.227 10.586 1.00 73.35 N ATOM 1209 CA MET A 85 9.967 -0.532 11.281 1.00 52.34 C ATOM 1210 C MET A 85 10.337 0.926 11.536 1.00 22.24 C ATOM 1211 O MET A 85 11.350 1.215 12.174 1.00 1.40 O ATOM 1212 CB MET A 85 9.651 -1.230 12.605 1.00 50.23 C ATOM 1213 CG MET A 85 8.205 -1.072 13.045 1.00 74.31 C ATOM 1214 SD MET A 85 7.831 0.595 13.620 1.00 42.43 S ATOM 1215 CE MET A 85 6.089 0.710 13.219 1.00 63.42 C ATOM 0 H MET A 85 11.969 -1.085 10.992 1.00 73.35 H new ATOM 0 HA MET A 85 9.082 -0.558 10.646 1.00 52.34 H new ATOM 0 HB2 MET A 85 9.879 -2.292 12.510 1.00 50.23 H new ATOM 0 HB3 MET A 85 10.304 -0.831 13.381 1.00 50.23 H new ATOM 0 HG2 MET A 85 7.547 -1.321 12.212 1.00 74.31 H new ATOM 0 HG3 MET A 85 7.993 -1.783 13.843 1.00 74.31 H new ATOM 0 HE1 MET A 85 5.899 1.642 12.686 1.00 63.42 H new ATOM 0 HE2 MET A 85 5.804 -0.133 12.589 1.00 63.42 H new ATOM 0 HE3 MET A 85 5.502 0.692 14.137 1.00 63.42 H new ATOM 1225 N ILE A 86 9.511 1.838 11.035 1.00 4.25 N ATOM 1226 CA ILE A 86 9.753 3.265 11.211 1.00 32.12 C ATOM 1227 C ILE A 86 8.663 3.906 12.063 1.00 13.01 C ATOM 1228 O ILE A 86 7.512 4.016 11.640 1.00 72.34 O ATOM 1229 CB ILE A 86 9.826 3.994 9.857 1.00 52.42 C ATOM 1230 CG1 ILE A 86 10.705 3.213 8.878 1.00 20.25 C ATOM 1231 CG2 ILE A 86 10.359 5.407 10.044 1.00 30.02 C ATOM 1232 CD1 ILE A 86 12.162 3.161 9.284 1.00 54.35 C ATOM 0 H ILE A 86 8.669 1.615 10.504 1.00 4.25 H new ATOM 0 HA ILE A 86 10.712 3.363 11.719 1.00 32.12 H new ATOM 0 HB ILE A 86 8.820 4.058 9.441 1.00 52.42 H new ATOM 0 HG12 ILE A 86 10.324 2.196 8.792 1.00 20.25 H new ATOM 0 HG13 ILE A 86 10.627 3.667 7.890 1.00 20.25 H new ATOM 0 HG21 ILE A 86 10.405 5.909 9.078 1.00 30.02 H new ATOM 0 HG22 ILE A 86 9.697 5.960 10.710 1.00 30.02 H new ATOM 0 HG23 ILE A 86 11.358 5.365 10.479 1.00 30.02 H new ATOM 0 HD11 ILE A 86 12.726 2.592 8.545 1.00 54.35 H new ATOM 0 HD12 ILE A 86 12.560 4.174 9.342 1.00 54.35 H new ATOM 0 HD13 ILE A 86 12.251 2.679 10.258 1.00 54.35 H new ATOM 1244 N LYS A 87 9.033 4.330 13.267 1.00 50.34 N ATOM 1245 CA LYS A 87 8.089 4.964 14.179 1.00 54.31 C ATOM 1246 C LYS A 87 7.903 6.438 13.832 1.00 1.12 C ATOM 1247 O LYS A 87 6.818 6.861 13.437 1.00 74.13 O ATOM 1248 CB LYS A 87 8.573 4.826 15.624 1.00 0.40 C ATOM 1249 CG LYS A 87 7.445 4.745 16.638 1.00 4.34 C ATOM 1250 CD LYS A 87 6.889 6.121 16.965 1.00 50.12 C ATOM 1251 CE LYS A 87 5.689 6.458 16.093 1.00 34.14 C ATOM 1252 NZ LYS A 87 4.402 6.169 16.786 1.00 42.41 N ATOM 0 H LYS A 87 9.981 4.246 13.634 1.00 50.34 H new ATOM 0 HA LYS A 87 7.128 4.461 14.075 1.00 54.31 H new ATOM 0 HB2 LYS A 87 9.190 3.932 15.708 1.00 0.40 H new ATOM 0 HB3 LYS A 87 9.209 5.677 15.868 1.00 0.40 H new ATOM 0 HG2 LYS A 87 6.648 4.113 16.247 1.00 4.34 H new ATOM 0 HG3 LYS A 87 7.808 4.272 17.550 1.00 4.34 H new ATOM 0 HD2 LYS A 87 6.599 6.157 18.015 1.00 50.12 H new ATOM 0 HD3 LYS A 87 7.666 6.872 16.823 1.00 50.12 H new ATOM 0 HE2 LYS A 87 5.725 7.512 15.817 1.00 34.14 H new ATOM 0 HE3 LYS A 87 5.740 5.885 15.167 1.00 34.14 H new ATOM 0 HZ1 LYS A 87 3.617 6.594 16.252 1.00 42.41 H new ATOM 0 HZ2 LYS A 87 4.263 5.140 16.845 1.00 42.41 H new ATOM 0 HZ3 LYS A 87 4.426 6.571 17.745 1.00 42.41 H new ATOM 1266 N GLY A 88 8.971 7.216 13.982 1.00 21.12 N ATOM 1267 CA GLY A 88 8.905 8.634 13.679 1.00 33.43 C ATOM 1268 C GLY A 88 9.090 9.499 14.910 1.00 34.21 C ATOM 1269 O GLY A 88 9.828 9.137 15.827 1.00 73.33 O ATOM 0 H GLY A 88 9.881 6.890 14.308 1.00 21.12 H new ATOM 0 HA2 GLY A 88 9.673 8.882 12.946 1.00 33.43 H new ATOM 0 HA3 GLY A 88 7.942 8.860 13.221 1.00 33.43 H new ATOM 1273 N TYR A 89 8.420 10.645 14.931 1.00 14.52 N ATOM 1274 CA TYR A 89 8.517 11.567 16.057 1.00 72.10 C ATOM 1275 C TYR A 89 7.572 12.751 15.875 1.00 42.10 C ATOM 1276 O TYR A 89 6.714 13.010 16.718 1.00 13.12 O ATOM 1277 CB TYR A 89 9.954 12.066 16.212 1.00 44.11 C ATOM 1278 CG TYR A 89 10.331 12.393 17.639 1.00 25.22 C ATOM 1279 CD1 TYR A 89 9.539 13.232 18.413 1.00 25.54 C ATOM 1280 CD2 TYR A 89 11.480 11.862 18.214 1.00 73.42 C ATOM 1281 CE1 TYR A 89 9.881 13.533 19.718 1.00 53.25 C ATOM 1282 CE2 TYR A 89 11.828 12.157 19.518 1.00 60.52 C ATOM 1283 CZ TYR A 89 11.026 12.993 20.265 1.00 13.23 C ATOM 1284 OH TYR A 89 11.368 13.290 21.565 1.00 43.15 O ATOM 0 H TYR A 89 7.804 10.958 14.181 1.00 14.52 H new ATOM 0 HA TYR A 89 8.227 11.030 16.960 1.00 72.10 H new ATOM 0 HB2 TYR A 89 10.636 11.307 15.830 1.00 44.11 H new ATOM 0 HB3 TYR A 89 10.089 12.955 15.596 1.00 44.11 H new ATOM 0 HD1 TYR A 89 8.641 13.656 17.988 1.00 25.54 H new ATOM 0 HD2 TYR A 89 12.111 11.208 17.631 1.00 73.42 H new ATOM 0 HE1 TYR A 89 9.255 14.188 20.306 1.00 53.25 H new ATOM 0 HE2 TYR A 89 12.723 11.735 19.950 1.00 60.52 H new ATOM 0 HH TYR A 89 12.201 12.829 21.798 1.00 43.15 H new ATOM 1294 N SER A 90 7.737 13.466 14.767 1.00 43.41 N ATOM 1295 CA SER A 90 6.902 14.625 14.474 1.00 44.52 C ATOM 1296 C SER A 90 6.637 14.739 12.976 1.00 73.43 C ATOM 1297 O SER A 90 7.563 14.720 12.167 1.00 44.01 O ATOM 1298 CB SER A 90 7.571 15.904 14.983 1.00 70.03 C ATOM 1299 OG SER A 90 8.390 16.484 13.982 1.00 12.33 O ATOM 0 H SER A 90 8.441 13.263 14.057 1.00 43.41 H new ATOM 0 HA SER A 90 5.949 14.493 14.985 1.00 44.52 H new ATOM 0 HB2 SER A 90 6.808 16.619 15.293 1.00 70.03 H new ATOM 0 HB3 SER A 90 8.172 15.678 15.864 1.00 70.03 H new ATOM 0 HG SER A 90 8.571 15.822 13.283 1.00 12.33 H new ATOM 1305 N ASN A 91 5.363 14.856 12.614 1.00 20.03 N ATOM 1306 CA ASN A 91 4.974 14.972 11.214 1.00 74.44 C ATOM 1307 C ASN A 91 6.024 15.741 10.419 1.00 41.23 C ATOM 1308 O ASN A 91 6.121 16.964 10.519 1.00 12.54 O ATOM 1309 CB ASN A 91 3.617 15.669 11.096 1.00 72.12 C ATOM 1310 CG ASN A 91 3.195 15.873 9.654 1.00 73.44 C ATOM 1311 OD1 ASN A 91 3.507 15.060 8.783 1.00 35.21 O ATOM 1312 ND2 ASN A 91 2.482 16.962 9.394 1.00 14.53 N ATOM 0 H ASN A 91 4.583 14.873 13.271 1.00 20.03 H new ATOM 0 HA ASN A 91 4.896 13.967 10.800 1.00 74.44 H new ATOM 0 HB2 ASN A 91 2.861 15.077 11.612 1.00 72.12 H new ATOM 0 HB3 ASN A 91 3.663 16.635 11.598 1.00 72.12 H new ATOM 0 HD21 ASN A 91 2.170 17.152 8.442 1.00 14.53 H new ATOM 0 HD22 ASN A 91 2.246 17.609 10.147 1.00 14.53 H new ATOM 1319 N TYR A 92 6.808 15.016 9.629 1.00 42.44 N ATOM 1320 CA TYR A 92 7.853 15.630 8.817 1.00 11.05 C ATOM 1321 C TYR A 92 8.572 14.583 7.973 1.00 42.05 C ATOM 1322 O TYR A 92 8.852 13.479 8.438 1.00 21.53 O ATOM 1323 CB TYR A 92 8.858 16.360 9.710 1.00 22.30 C ATOM 1324 CG TYR A 92 8.765 17.866 9.621 1.00 42.22 C ATOM 1325 CD1 TYR A 92 8.743 18.509 8.389 1.00 74.42 C ATOM 1326 CD2 TYR A 92 8.701 18.647 10.768 1.00 50.30 C ATOM 1327 CE1 TYR A 92 8.658 19.885 8.302 1.00 24.23 C ATOM 1328 CE2 TYR A 92 8.615 20.024 10.691 1.00 62.10 C ATOM 1329 CZ TYR A 92 8.594 20.638 9.456 1.00 24.11 C ATOM 1330 OH TYR A 92 8.510 22.009 9.375 1.00 5.11 O ATOM 0 H TYR A 92 6.740 14.003 9.533 1.00 42.44 H new ATOM 0 HA TYR A 92 7.382 16.350 8.147 1.00 11.05 H new ATOM 0 HB2 TYR A 92 8.700 16.055 10.745 1.00 22.30 H new ATOM 0 HB3 TYR A 92 9.867 16.050 9.437 1.00 22.30 H new ATOM 0 HD1 TYR A 92 8.793 17.922 7.484 1.00 74.42 H new ATOM 0 HD2 TYR A 92 8.719 18.170 11.737 1.00 50.30 H new ATOM 0 HE1 TYR A 92 8.642 20.368 7.336 1.00 24.23 H new ATOM 0 HE2 TYR A 92 8.565 20.616 11.593 1.00 62.10 H new ATOM 0 HH TYR A 92 8.472 22.388 10.278 1.00 5.11 H new ATOM 1340 N SER A 93 8.869 14.940 6.727 1.00 61.51 N ATOM 1341 CA SER A 93 9.553 14.031 5.814 1.00 22.12 C ATOM 1342 C SER A 93 10.849 14.651 5.300 1.00 31.12 C ATOM 1343 O SER A 93 11.009 15.871 5.300 1.00 62.34 O ATOM 1344 CB SER A 93 8.643 13.675 4.637 1.00 13.43 C ATOM 1345 OG SER A 93 8.167 14.843 3.990 1.00 72.41 O ATOM 0 H SER A 93 8.647 15.852 6.327 1.00 61.51 H new ATOM 0 HA SER A 93 9.798 13.121 6.362 1.00 22.12 H new ATOM 0 HB2 SER A 93 9.190 13.058 3.924 1.00 13.43 H new ATOM 0 HB3 SER A 93 7.800 13.082 4.991 1.00 13.43 H new ATOM 0 HG SER A 93 7.589 14.589 3.240 1.00 72.41 H new ATOM 1351 N GLY A 94 11.772 13.800 4.863 1.00 63.11 N ATOM 1352 CA GLY A 94 13.043 14.281 4.352 1.00 15.44 C ATOM 1353 C GLY A 94 14.218 13.476 4.869 1.00 0.15 C ATOM 1354 O GLY A 94 15.341 13.977 4.939 1.00 35.21 O ATOM 0 H GLY A 94 11.663 12.786 4.854 1.00 63.11 H new ATOM 0 HA2 GLY A 94 13.031 14.242 3.263 1.00 15.44 H new ATOM 0 HA3 GLY A 94 13.171 15.326 4.632 1.00 15.44 H new ATOM 1358 N VAL A 95 13.961 12.224 5.235 1.00 13.22 N ATOM 1359 CA VAL A 95 15.006 11.348 5.750 1.00 62.25 C ATOM 1360 C VAL A 95 15.274 10.192 4.793 1.00 62.34 C ATOM 1361 O VAL A 95 14.368 9.712 4.111 1.00 72.22 O ATOM 1362 CB VAL A 95 14.633 10.780 7.132 1.00 71.23 C ATOM 1363 CG1 VAL A 95 15.884 10.506 7.952 1.00 11.14 C ATOM 1364 CG2 VAL A 95 13.702 11.733 7.865 1.00 11.33 C ATOM 0 H VAL A 95 13.038 11.794 5.184 1.00 13.22 H new ATOM 0 HA VAL A 95 15.907 11.953 5.846 1.00 62.25 H new ATOM 0 HB VAL A 95 14.109 9.835 6.988 1.00 71.23 H new ATOM 0 HG11 VAL A 95 15.601 10.105 8.925 1.00 11.14 H new ATOM 0 HG12 VAL A 95 16.510 9.782 7.430 1.00 11.14 H new ATOM 0 HG13 VAL A 95 16.439 11.434 8.090 1.00 11.14 H new ATOM 0 HG21 VAL A 95 13.448 11.316 8.840 1.00 11.33 H new ATOM 0 HG22 VAL A 95 14.198 12.694 7.999 1.00 11.33 H new ATOM 0 HG23 VAL A 95 12.792 11.873 7.282 1.00 11.33 H new ATOM 1374 N THR A 96 16.526 9.747 4.746 1.00 22.23 N ATOM 1375 CA THR A 96 16.915 8.647 3.873 1.00 73.04 C ATOM 1376 C THR A 96 17.156 7.370 4.670 1.00 50.32 C ATOM 1377 O THR A 96 18.101 7.286 5.455 1.00 64.42 O ATOM 1378 CB THR A 96 18.186 8.987 3.073 1.00 44.33 C ATOM 1379 OG1 THR A 96 18.211 10.385 2.763 1.00 51.11 O ATOM 1380 CG2 THR A 96 18.250 8.177 1.787 1.00 22.51 C ATOM 0 H THR A 96 17.288 10.132 5.303 1.00 22.23 H new ATOM 0 HA THR A 96 16.090 8.488 3.179 1.00 73.04 H new ATOM 0 HB THR A 96 19.052 8.735 3.686 1.00 44.33 H new ATOM 0 HG1 THR A 96 19.023 10.593 2.256 1.00 51.11 H new ATOM 0 HG21 THR A 96 19.157 8.435 1.239 1.00 22.51 H new ATOM 0 HG22 THR A 96 18.261 7.114 2.027 1.00 22.51 H new ATOM 0 HG23 THR A 96 17.378 8.401 1.172 1.00 22.51 H new ATOM 1388 N LEU A 97 16.297 6.378 4.464 1.00 54.54 N ATOM 1389 CA LEU A 97 16.417 5.104 5.163 1.00 11.02 C ATOM 1390 C LEU A 97 17.009 4.035 4.250 1.00 50.30 C ATOM 1391 O LEU A 97 16.713 3.990 3.056 1.00 72.22 O ATOM 1392 CB LEU A 97 15.049 4.651 5.678 1.00 44.05 C ATOM 1393 CG LEU A 97 14.998 3.262 6.315 1.00 45.11 C ATOM 1394 CD1 LEU A 97 15.251 3.352 7.812 1.00 51.21 C ATOM 1395 CD2 LEU A 97 13.658 2.597 6.037 1.00 24.33 C ATOM 0 H LEU A 97 15.509 6.432 3.818 1.00 54.54 H new ATOM 0 HA LEU A 97 17.089 5.245 6.010 1.00 11.02 H new ATOM 0 HB2 LEU A 97 14.700 5.378 6.411 1.00 44.05 H new ATOM 0 HB3 LEU A 97 14.344 4.674 4.847 1.00 44.05 H new ATOM 0 HG LEU A 97 15.783 2.650 5.871 1.00 45.11 H new ATOM 0 HD11 LEU A 97 15.211 2.354 8.248 1.00 51.21 H new ATOM 0 HD12 LEU A 97 16.235 3.786 7.989 1.00 51.21 H new ATOM 0 HD13 LEU A 97 14.489 3.980 8.273 1.00 51.21 H new ATOM 0 HD21 LEU A 97 13.639 1.609 6.498 1.00 24.33 H new ATOM 0 HD22 LEU A 97 12.856 3.207 6.453 1.00 24.33 H new ATOM 0 HD23 LEU A 97 13.517 2.498 4.961 1.00 24.33 H new ATOM 1407 N LYS A 98 17.846 3.175 4.820 1.00 71.11 N ATOM 1408 CA LYS A 98 18.478 2.103 4.059 1.00 13.33 C ATOM 1409 C LYS A 98 18.834 0.930 4.966 1.00 60.40 C ATOM 1410 O LYS A 98 18.899 1.073 6.188 1.00 42.04 O ATOM 1411 CB LYS A 98 19.736 2.621 3.359 1.00 60.33 C ATOM 1412 CG LYS A 98 20.363 1.612 2.412 1.00 25.02 C ATOM 1413 CD LYS A 98 20.985 2.292 1.204 1.00 52.40 C ATOM 1414 CE LYS A 98 21.845 3.478 1.613 1.00 14.51 C ATOM 1415 NZ LYS A 98 23.090 3.567 0.802 1.00 62.33 N ATOM 0 H LYS A 98 18.103 3.199 5.807 1.00 71.11 H new ATOM 0 HA LYS A 98 17.768 1.756 3.308 1.00 13.33 H new ATOM 0 HB2 LYS A 98 19.486 3.524 2.802 1.00 60.33 H new ATOM 0 HB3 LYS A 98 20.470 2.905 4.113 1.00 60.33 H new ATOM 0 HG2 LYS A 98 21.125 1.040 2.941 1.00 25.02 H new ATOM 0 HG3 LYS A 98 19.605 0.903 2.081 1.00 25.02 H new ATOM 0 HD2 LYS A 98 21.592 1.574 0.653 1.00 52.40 H new ATOM 0 HD3 LYS A 98 20.198 2.628 0.529 1.00 52.40 H new ATOM 0 HE2 LYS A 98 21.272 4.398 1.500 1.00 14.51 H new ATOM 0 HE3 LYS A 98 22.104 3.392 2.668 1.00 14.51 H new ATOM 0 HZ1 LYS A 98 23.648 4.388 1.112 1.00 62.33 H new ATOM 0 HZ2 LYS A 98 23.650 2.700 0.929 1.00 62.33 H new ATOM 0 HZ3 LYS A 98 22.843 3.675 -0.202 1.00 62.33 H new ATOM 1429 N LEU A 99 19.065 -0.230 4.361 1.00 21.30 N ATOM 1430 CA LEU A 99 19.417 -1.429 5.114 1.00 31.21 C ATOM 1431 C LEU A 99 20.930 -1.561 5.252 1.00 62.43 C ATOM 1432 O LEU A 99 21.678 -1.223 4.334 1.00 34.34 O ATOM 1433 CB LEU A 99 18.845 -2.672 4.429 1.00 1.30 C ATOM 1434 CG LEU A 99 19.705 -3.934 4.503 1.00 73.23 C ATOM 1435 CD1 LEU A 99 18.833 -5.178 4.427 1.00 64.33 C ATOM 1436 CD2 LEU A 99 20.742 -3.939 3.390 1.00 43.44 C ATOM 0 H LEU A 99 19.015 -0.366 3.351 1.00 21.30 H new ATOM 0 HA LEU A 99 18.986 -1.341 6.111 1.00 31.21 H new ATOM 0 HB2 LEU A 99 17.874 -2.892 4.872 1.00 1.30 H new ATOM 0 HB3 LEU A 99 18.671 -2.436 3.379 1.00 1.30 H new ATOM 0 HG LEU A 99 20.228 -3.939 5.459 1.00 73.23 H new ATOM 0 HD11 LEU A 99 19.462 -6.067 4.481 1.00 64.33 H new ATOM 0 HD12 LEU A 99 18.129 -5.180 5.259 1.00 64.33 H new ATOM 0 HD13 LEU A 99 18.283 -5.180 3.486 1.00 64.33 H new ATOM 0 HD21 LEU A 99 21.345 -4.845 3.458 1.00 43.44 H new ATOM 0 HD22 LEU A 99 20.239 -3.910 2.424 1.00 43.44 H new ATOM 0 HD23 LEU A 99 21.387 -3.066 3.489 1.00 43.44 H new ATOM 1448 N GLN A 100 21.374 -2.057 6.402 1.00 34.05 N ATOM 1449 CA GLN A 100 22.798 -2.235 6.659 1.00 71.23 C ATOM 1450 C GLN A 100 23.235 -3.660 6.335 1.00 61.01 C ATOM 1451 O GLN A 100 22.862 -4.607 7.027 1.00 34.14 O ATOM 1452 CB GLN A 100 23.120 -1.910 8.118 1.00 13.52 C ATOM 1453 CG GLN A 100 21.995 -2.255 9.081 1.00 51.42 C ATOM 1454 CD GLN A 100 21.506 -3.681 8.920 1.00 3.43 C ATOM 1455 OE1 GLN A 100 20.590 -3.951 8.144 1.00 61.44 O ATOM 1456 NE2 GLN A 100 22.117 -4.602 9.656 1.00 71.21 N ATOM 0 H GLN A 100 20.768 -2.343 7.171 1.00 34.05 H new ATOM 0 HA GLN A 100 23.346 -1.550 6.013 1.00 71.23 H new ATOM 0 HB2 GLN A 100 24.018 -2.452 8.413 1.00 13.52 H new ATOM 0 HB3 GLN A 100 23.347 -0.847 8.203 1.00 13.52 H new ATOM 0 HG2 GLN A 100 22.339 -2.106 10.104 1.00 51.42 H new ATOM 0 HG3 GLN A 100 21.163 -1.569 8.922 1.00 51.42 H new ATOM 0 HE21 GLN A 100 22.872 -4.332 10.286 1.00 71.21 H new ATOM 0 HE22 GLN A 100 21.831 -5.579 9.591 1.00 71.21 H new ATOM 1465 N TYR A 101 24.028 -3.805 5.279 1.00 53.42 N ATOM 1466 CA TYR A 101 24.514 -5.114 4.862 1.00 74.55 C ATOM 1467 C TYR A 101 26.027 -5.213 5.029 1.00 33.03 C ATOM 1468 O TYR A 101 26.519 -5.628 6.077 1.00 10.43 O ATOM 1469 CB TYR A 101 24.132 -5.383 3.405 1.00 42.23 C ATOM 1470 CG TYR A 101 24.923 -4.562 2.411 1.00 73.01 C ATOM 1471 CD1 TYR A 101 26.137 -5.018 1.913 1.00 72.12 C ATOM 1472 CD2 TYR A 101 24.455 -3.330 1.969 1.00 34.52 C ATOM 1473 CE1 TYR A 101 26.863 -4.271 1.005 1.00 35.13 C ATOM 1474 CE2 TYR A 101 25.173 -2.577 1.061 1.00 71.32 C ATOM 1475 CZ TYR A 101 26.376 -3.052 0.582 1.00 4.42 C ATOM 1476 OH TYR A 101 27.096 -2.305 -0.323 1.00 33.12 O ATOM 0 H TYR A 101 24.348 -3.031 4.696 1.00 53.42 H new ATOM 0 HA TYR A 101 24.047 -5.866 5.498 1.00 74.55 H new ATOM 0 HB2 TYR A 101 24.279 -6.441 3.189 1.00 42.23 H new ATOM 0 HB3 TYR A 101 23.070 -5.175 3.272 1.00 42.23 H new ATOM 0 HD1 TYR A 101 26.520 -5.973 2.241 1.00 72.12 H new ATOM 0 HD2 TYR A 101 23.513 -2.955 2.342 1.00 34.52 H new ATOM 0 HE1 TYR A 101 27.806 -4.639 0.629 1.00 35.13 H new ATOM 0 HE2 TYR A 101 24.795 -1.622 0.728 1.00 71.32 H new ATOM 0 HH TYR A 101 26.614 -1.474 -0.518 1.00 33.12 H new TER 1486 TYR A 101