USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 946 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 39 SER OG : rot -71:sc= -0.0965 USER MOD Set 1.2: A 78 HIS : no HE2:sc= -0.484 K(o=-0.58,f=-3.1!) USER MOD Set 2.1: A 36 HIS : no HE2:sc= -0.172 K(o=1,f=-3.5!) USER MOD Set 2.2: A 87 TYR OH : rot -142:sc= 1.21 USER MOD Set 3.1: A 26 TYR OH : rot 151:sc= 0.447 USER MOD Set 3.2: A 93 THR OG1 : rot 77:sc= 0.796 USER MOD Set 4.1: A 11 HIS : no HE2:sc= 0.0994 K(o=1.4,f=-5.1) USER MOD Set 4.2: A 18 THR OG1 : rot 152:sc= 1.33 USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.015 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 21:sc= 0.312 USER MOD Single : A 43 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.0414 X(o=0.041,f=-0.13) USER MOD Single : A 51 GLN : amide:sc= -1.01 K(o=-1,f=-4.7!) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.107 USER MOD Single : A 54 LYS NZ :NH3+ -141:sc= 0.00419 (180deg=-0.32) USER MOD Single : A 56 ASN : amide:sc= -0.631 K(o=-0.63,f=-5.1!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -145:sc= -0.65 (180deg=-2.16!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.033 USER MOD Single : A 84 THR OG1 : rot -91:sc= 0.0967 USER MOD Single : A 89 TYR OH : rot -77:sc= 0.926 USER MOD Single : A 95 LYS NZ :NH3+ 160:sc= 1.2 (180deg=0.635) USER MOD Single : A 97 GLN : amide:sc= 0.736 K(o=0.74,f=-0.36) USER MOD Single : A 102 TYR OH : rot -110:sc= 0.206 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -141:sc= 1.14 USER MOD Single : A 118 SER OG : rot 15:sc= -0.228 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -179:sc= 0 (180deg=-0.00196) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.958 -0.545 10.961 1.00 60.03 N ATOM 2 CA GLY A 1 22.139 -0.706 9.517 1.00 40.14 C ATOM 3 C GLY A 1 20.778 -0.817 8.873 1.00 71.33 C ATOM 4 O GLY A 1 19.958 -1.620 9.321 1.00 43.51 O ATOM 0 H1 GLY A 1 22.644 -1.142 11.466 1.00 60.03 H new ATOM 0 H2 GLY A 1 22.108 0.451 11.221 1.00 60.03 H new ATOM 0 H3 GLY A 1 20.993 -0.830 11.224 1.00 60.03 H new ATOM 0 HA2 GLY A 1 22.684 0.144 9.106 1.00 40.14 H new ATOM 0 HA3 GLY A 1 22.731 -1.596 9.306 1.00 40.14 H new ATOM 8 N MET A 2 20.506 0.016 7.870 1.00 12.50 N ATOM 9 CA MET A 2 19.178 0.111 7.284 1.00 14.25 C ATOM 10 C MET A 2 18.814 -1.182 6.567 1.00 33.15 C ATOM 11 O MET A 2 19.651 -1.840 5.945 1.00 11.11 O ATOM 12 CB MET A 2 19.087 1.308 6.326 1.00 60.33 C ATOM 13 CG MET A 2 18.917 2.624 7.084 1.00 15.54 C ATOM 14 SD MET A 2 20.374 3.239 7.977 1.00 73.33 S ATOM 15 CE MET A 2 21.300 4.004 6.621 1.00 55.41 C ATOM 0 H MET A 2 21.195 0.637 7.447 1.00 12.50 H new ATOM 0 HA MET A 2 18.462 0.268 8.090 1.00 14.25 H new ATOM 0 HB2 MET A 2 19.988 1.354 5.714 1.00 60.33 H new ATOM 0 HB3 MET A 2 18.246 1.168 5.646 1.00 60.33 H new ATOM 0 HG2 MET A 2 18.604 3.389 6.373 1.00 15.54 H new ATOM 0 HG3 MET A 2 18.104 2.503 7.800 1.00 15.54 H new ATOM 0 HE1 MET A 2 22.226 4.430 7.008 1.00 55.41 H new ATOM 0 HE2 MET A 2 21.534 3.250 5.869 1.00 55.41 H new ATOM 0 HE3 MET A 2 20.699 4.793 6.169 1.00 55.41 H new ATOM 25 N ARG A 3 17.520 -1.502 6.593 1.00 21.32 N ATOM 26 CA ARG A 3 16.936 -2.554 5.772 1.00 72.44 C ATOM 27 C ARG A 3 16.845 -2.024 4.343 1.00 51.41 C ATOM 28 O ARG A 3 15.789 -1.575 3.909 1.00 11.22 O ATOM 29 CB ARG A 3 15.550 -2.954 6.312 1.00 15.34 C ATOM 30 CG ARG A 3 15.510 -3.680 7.658 1.00 72.41 C ATOM 31 CD ARG A 3 15.888 -5.159 7.555 1.00 15.25 C ATOM 32 NE ARG A 3 17.340 -5.375 7.485 1.00 54.11 N ATOM 33 CZ ARG A 3 17.932 -6.568 7.389 1.00 42.12 C ATOM 34 NH1 ARG A 3 17.214 -7.675 7.257 1.00 35.13 N ATOM 35 NH2 ARG A 3 19.252 -6.642 7.450 1.00 24.33 N ATOM 0 H ARG A 3 16.843 -1.030 7.193 1.00 21.32 H new ATOM 0 HA ARG A 3 17.555 -3.451 5.796 1.00 72.44 H new ATOM 0 HB2 ARG A 3 14.946 -2.050 6.397 1.00 15.34 H new ATOM 0 HB3 ARG A 3 15.068 -3.591 5.570 1.00 15.34 H new ATOM 0 HG2 ARG A 3 16.190 -3.185 8.351 1.00 72.41 H new ATOM 0 HG3 ARG A 3 14.508 -3.596 8.080 1.00 72.41 H new ATOM 0 HD2 ARG A 3 15.488 -5.692 8.417 1.00 15.25 H new ATOM 0 HD3 ARG A 3 15.419 -5.588 6.669 1.00 15.25 H new ATOM 0 HE ARG A 3 17.941 -4.551 7.512 1.00 54.11 H new ATOM 0 HH11 ARG A 3 16.196 -7.622 7.228 1.00 35.13 H new ATOM 0 HH12 ARG A 3 17.680 -8.579 7.185 1.00 35.13 H new ATOM 0 HH21 ARG A 3 19.805 -5.793 7.569 1.00 24.33 H new ATOM 0 HH22 ARG A 3 19.716 -7.548 7.378 1.00 24.33 H new ATOM 49 N ILE A 4 17.956 -1.992 3.615 1.00 73.40 N ATOM 50 CA ILE A 4 17.948 -1.526 2.232 1.00 60.32 C ATOM 51 C ILE A 4 17.622 -2.750 1.382 1.00 0.21 C ATOM 52 O ILE A 4 18.284 -3.779 1.541 1.00 12.45 O ATOM 53 CB ILE A 4 19.276 -0.863 1.831 1.00 34.14 C ATOM 54 CG1 ILE A 4 19.586 0.272 2.827 1.00 40.24 C ATOM 55 CG2 ILE A 4 19.178 -0.312 0.395 1.00 11.23 C ATOM 56 CD1 ILE A 4 20.887 1.004 2.537 1.00 42.55 C ATOM 0 H ILE A 4 18.872 -2.282 3.958 1.00 73.40 H new ATOM 0 HA ILE A 4 17.204 -0.743 2.085 1.00 60.32 H new ATOM 0 HB ILE A 4 20.081 -1.597 1.859 1.00 34.14 H new ATOM 0 HG12 ILE A 4 18.765 0.989 2.813 1.00 40.24 H new ATOM 0 HG13 ILE A 4 19.630 -0.143 3.834 1.00 40.24 H new ATOM 0 HG21 ILE A 4 20.123 0.156 0.120 1.00 11.23 H new ATOM 0 HG22 ILE A 4 18.963 -1.129 -0.294 1.00 11.23 H new ATOM 0 HG23 ILE A 4 18.379 0.427 0.343 1.00 11.23 H new ATOM 0 HD11 ILE A 4 21.037 1.788 3.279 1.00 42.55 H new ATOM 0 HD12 ILE A 4 21.718 0.300 2.580 1.00 42.55 H new ATOM 0 HD13 ILE A 4 20.840 1.450 1.543 1.00 42.55 H new ATOM 68 N PRO A 5 16.614 -2.694 0.505 1.00 33.21 N ATOM 69 CA PRO A 5 16.184 -3.858 -0.249 1.00 12.24 C ATOM 70 C PRO A 5 17.237 -4.335 -1.238 1.00 22.05 C ATOM 71 O PRO A 5 18.085 -3.564 -1.697 1.00 34.22 O ATOM 72 CB PRO A 5 14.904 -3.434 -0.976 1.00 34.23 C ATOM 73 CG PRO A 5 15.044 -1.925 -1.060 1.00 53.42 C ATOM 74 CD PRO A 5 15.756 -1.559 0.229 1.00 31.43 C ATOM 0 HA PRO A 5 16.015 -4.702 0.419 1.00 12.24 H new ATOM 0 HB2 PRO A 5 14.832 -3.888 -1.964 1.00 34.23 H new ATOM 0 HB3 PRO A 5 14.011 -3.727 -0.424 1.00 34.23 H new ATOM 0 HG2 PRO A 5 15.620 -1.624 -1.935 1.00 53.42 H new ATOM 0 HG3 PRO A 5 14.073 -1.436 -1.134 1.00 53.42 H new ATOM 0 HD2 PRO A 5 16.335 -0.642 0.116 1.00 31.43 H new ATOM 0 HD3 PRO A 5 15.047 -1.391 1.040 1.00 31.43 H new ATOM 82 N SER A 6 17.115 -5.603 -1.625 1.00 11.21 N ATOM 83 CA SER A 6 17.840 -6.217 -2.730 1.00 63.00 C ATOM 84 C SER A 6 16.877 -6.803 -3.767 1.00 43.50 C ATOM 85 O SER A 6 17.313 -7.392 -4.753 1.00 74.42 O ATOM 86 CB SER A 6 18.802 -7.263 -2.161 1.00 13.12 C ATOM 87 OG SER A 6 19.936 -7.430 -2.994 1.00 74.33 O ATOM 0 H SER A 6 16.484 -6.254 -1.158 1.00 11.21 H new ATOM 0 HA SER A 6 18.422 -5.463 -3.260 1.00 63.00 H new ATOM 0 HB2 SER A 6 19.122 -6.961 -1.164 1.00 13.12 H new ATOM 0 HB3 SER A 6 18.284 -8.216 -2.054 1.00 13.12 H new ATOM 0 HG SER A 6 20.532 -8.103 -2.604 1.00 74.33 H new ATOM 93 N ALA A 7 15.570 -6.632 -3.567 1.00 43.41 N ATOM 94 CA ALA A 7 14.553 -6.823 -4.586 1.00 74.40 C ATOM 95 C ALA A 7 13.594 -5.644 -4.497 1.00 53.21 C ATOM 96 O ALA A 7 13.204 -5.264 -3.392 1.00 72.00 O ATOM 97 CB ALA A 7 13.808 -8.143 -4.363 1.00 54.22 C ATOM 0 H ALA A 7 15.185 -6.349 -2.666 1.00 43.41 H new ATOM 0 HA ALA A 7 15.007 -6.871 -5.576 1.00 74.40 H new ATOM 0 HB1 ALA A 7 13.050 -8.268 -5.136 1.00 54.22 H new ATOM 0 HB2 ALA A 7 14.514 -8.972 -4.410 1.00 54.22 H new ATOM 0 HB3 ALA A 7 13.329 -8.129 -3.384 1.00 54.22 H new ATOM 103 N ILE A 8 13.225 -5.100 -5.653 1.00 35.35 N ATOM 104 CA ILE A 8 12.169 -4.123 -5.848 1.00 40.33 C ATOM 105 C ILE A 8 11.337 -4.707 -6.990 1.00 32.14 C ATOM 106 O ILE A 8 11.500 -4.326 -8.157 1.00 21.31 O ATOM 107 CB ILE A 8 12.721 -2.724 -6.208 1.00 23.02 C ATOM 108 CG1 ILE A 8 13.848 -2.157 -5.329 1.00 4.54 C ATOM 109 CG2 ILE A 8 11.545 -1.743 -6.303 1.00 0.42 C ATOM 110 CD1 ILE A 8 13.417 -1.717 -3.937 1.00 55.21 C ATOM 0 H ILE A 8 13.686 -5.347 -6.529 1.00 35.35 H new ATOM 0 HA ILE A 8 11.589 -3.962 -4.940 1.00 40.33 H new ATOM 0 HB ILE A 8 13.224 -2.857 -7.166 1.00 23.02 H new ATOM 0 HG12 ILE A 8 14.627 -2.913 -5.230 1.00 4.54 H new ATOM 0 HG13 ILE A 8 14.294 -1.305 -5.841 1.00 4.54 H new ATOM 0 HG21 ILE A 8 11.918 -0.751 -6.556 1.00 0.42 H new ATOM 0 HG22 ILE A 8 10.853 -2.078 -7.075 1.00 0.42 H new ATOM 0 HG23 ILE A 8 11.027 -1.702 -5.345 1.00 0.42 H new ATOM 0 HD11 ILE A 8 14.280 -1.332 -3.394 1.00 55.21 H new ATOM 0 HD12 ILE A 8 12.662 -0.935 -4.020 1.00 55.21 H new ATOM 0 HD13 ILE A 8 13.000 -2.568 -3.399 1.00 55.21 H new ATOM 122 N GLN A 9 10.520 -5.706 -6.672 1.00 42.43 N ATOM 123 CA GLN A 9 9.623 -6.288 -7.649 1.00 13.35 C ATOM 124 C GLN A 9 8.378 -5.408 -7.684 1.00 11.32 C ATOM 125 O GLN A 9 7.719 -5.249 -6.658 1.00 21.13 O ATOM 126 CB GLN A 9 9.292 -7.741 -7.288 1.00 0.53 C ATOM 127 CG GLN A 9 10.159 -8.771 -8.020 1.00 33.13 C ATOM 128 CD GLN A 9 9.474 -10.133 -8.087 1.00 61.34 C ATOM 129 OE1 GLN A 9 8.932 -10.495 -9.129 1.00 24.41 O ATOM 130 NE2 GLN A 9 9.482 -10.916 -7.024 1.00 35.04 N ATOM 0 H GLN A 9 10.465 -6.126 -5.744 1.00 42.43 H new ATOM 0 HA GLN A 9 10.083 -6.323 -8.637 1.00 13.35 H new ATOM 0 HB2 GLN A 9 9.413 -7.876 -6.213 1.00 0.53 H new ATOM 0 HB3 GLN A 9 8.244 -7.933 -7.517 1.00 0.53 H new ATOM 0 HG2 GLN A 9 10.370 -8.419 -9.030 1.00 33.13 H new ATOM 0 HG3 GLN A 9 11.117 -8.869 -7.510 1.00 33.13 H new ATOM 0 HE21 GLN A 9 9.935 -10.605 -6.165 1.00 35.04 H new ATOM 0 HE22 GLN A 9 9.035 -11.832 -7.062 1.00 35.04 H new ATOM 139 N LEU A 10 8.063 -4.824 -8.845 1.00 4.34 N ATOM 140 CA LEU A 10 6.876 -3.993 -9.030 1.00 20.14 C ATOM 141 C LEU A 10 5.742 -4.731 -9.756 1.00 61.31 C ATOM 142 O LEU A 10 4.695 -4.126 -9.993 1.00 0.22 O ATOM 143 CB LEU A 10 7.267 -2.679 -9.736 1.00 0.25 C ATOM 144 CG LEU A 10 7.230 -2.616 -11.275 1.00 53.51 C ATOM 145 CD1 LEU A 10 7.496 -1.179 -11.719 1.00 20.44 C ATOM 146 CD2 LEU A 10 8.256 -3.520 -11.934 1.00 60.02 C ATOM 0 H LEU A 10 8.631 -4.918 -9.687 1.00 4.34 H new ATOM 0 HA LEU A 10 6.475 -3.751 -8.046 1.00 20.14 H new ATOM 0 HB2 LEU A 10 6.610 -1.895 -9.359 1.00 0.25 H new ATOM 0 HB3 LEU A 10 8.279 -2.425 -9.421 1.00 0.25 H new ATOM 0 HG LEU A 10 6.243 -2.960 -11.584 1.00 53.51 H new ATOM 0 HD11 LEU A 10 7.472 -1.124 -12.807 1.00 20.44 H new ATOM 0 HD12 LEU A 10 6.730 -0.523 -11.305 1.00 20.44 H new ATOM 0 HD13 LEU A 10 8.476 -0.863 -11.361 1.00 20.44 H new ATOM 0 HD21 LEU A 10 8.178 -3.429 -13.017 1.00 60.02 H new ATOM 0 HD22 LEU A 10 9.257 -3.227 -11.616 1.00 60.02 H new ATOM 0 HD23 LEU A 10 8.071 -4.554 -11.642 1.00 60.02 H new ATOM 158 N HIS A 11 5.988 -5.978 -10.187 1.00 44.10 N ATOM 159 CA HIS A 11 5.056 -6.887 -10.853 1.00 22.13 C ATOM 160 C HIS A 11 4.237 -6.154 -11.914 1.00 51.21 C ATOM 161 O HIS A 11 3.013 -6.070 -11.805 1.00 1.44 O ATOM 162 CB HIS A 11 4.195 -7.698 -9.870 1.00 71.03 C ATOM 163 CG HIS A 11 4.979 -8.654 -9.009 1.00 54.53 C ATOM 164 ND1 HIS A 11 5.080 -10.017 -9.190 1.00 72.33 N ATOM 165 CD2 HIS A 11 5.693 -8.329 -7.891 1.00 20.04 C ATOM 166 CE1 HIS A 11 5.871 -10.499 -8.221 1.00 75.12 C ATOM 167 NE2 HIS A 11 6.269 -9.511 -7.411 1.00 14.54 N ATOM 0 H HIS A 11 6.908 -6.402 -10.069 1.00 44.10 H new ATOM 0 HA HIS A 11 5.653 -7.635 -11.374 1.00 22.13 H new ATOM 0 HB2 HIS A 11 3.651 -7.008 -9.225 1.00 71.03 H new ATOM 0 HB3 HIS A 11 3.451 -8.261 -10.434 1.00 71.03 H new ATOM 0 HD1 HIS A 11 4.633 -10.561 -9.928 1.00 72.33 H new ATOM 0 HD2 HIS A 11 5.794 -7.345 -7.458 1.00 20.04 H new ATOM 0 HE1 HIS A 11 6.148 -11.537 -8.110 1.00 75.12 H new ATOM 175 N LYS A 12 4.887 -5.583 -12.937 1.00 62.43 N ATOM 176 CA LYS A 12 4.217 -4.700 -13.880 1.00 54.23 C ATOM 177 C LYS A 12 3.032 -5.336 -14.601 1.00 42.23 C ATOM 178 O LYS A 12 2.215 -4.605 -15.146 1.00 22.11 O ATOM 179 CB LYS A 12 5.232 -4.115 -14.878 1.00 63.30 C ATOM 180 CG LYS A 12 5.272 -2.586 -14.823 1.00 11.44 C ATOM 181 CD LYS A 12 3.932 -1.936 -15.210 1.00 3.22 C ATOM 182 CE LYS A 12 4.001 -0.409 -15.235 1.00 20.11 C ATOM 183 NZ LYS A 12 4.336 0.118 -16.571 1.00 60.04 N ATOM 0 H LYS A 12 5.880 -5.722 -13.126 1.00 62.43 H new ATOM 0 HA LYS A 12 3.786 -3.893 -13.287 1.00 54.23 H new ATOM 0 HB2 LYS A 12 6.224 -4.512 -14.661 1.00 63.30 H new ATOM 0 HB3 LYS A 12 4.974 -4.435 -15.887 1.00 63.30 H new ATOM 0 HG2 LYS A 12 5.545 -2.271 -13.816 1.00 11.44 H new ATOM 0 HG3 LYS A 12 6.052 -2.224 -15.493 1.00 11.44 H new ATOM 0 HD2 LYS A 12 3.628 -2.298 -16.192 1.00 3.22 H new ATOM 0 HD3 LYS A 12 3.164 -2.249 -14.503 1.00 3.22 H new ATOM 0 HE2 LYS A 12 3.042 0.000 -14.916 1.00 20.11 H new ATOM 0 HE3 LYS A 12 4.747 -0.070 -14.516 1.00 20.11 H new ATOM 0 HZ1 LYS A 12 4.371 1.157 -16.536 1.00 60.04 H new ATOM 0 HZ2 LYS A 12 5.263 -0.250 -16.867 1.00 60.04 H new ATOM 0 HZ3 LYS A 12 3.611 -0.181 -17.254 1.00 60.04 H new ATOM 197 N ALA A 13 2.917 -6.663 -14.618 1.00 75.22 N ATOM 198 CA ALA A 13 1.691 -7.337 -15.000 1.00 14.44 C ATOM 199 C ALA A 13 0.587 -7.063 -13.960 1.00 14.15 C ATOM 200 O ALA A 13 -0.206 -6.136 -14.133 1.00 52.44 O ATOM 201 CB ALA A 13 2.002 -8.821 -15.191 1.00 23.21 C ATOM 0 H ALA A 13 3.676 -7.296 -14.366 1.00 75.22 H new ATOM 0 HA ALA A 13 1.305 -6.955 -15.945 1.00 14.44 H new ATOM 0 HB1 ALA A 13 1.093 -9.349 -15.479 1.00 23.21 H new ATOM 0 HB2 ALA A 13 2.753 -8.938 -15.973 1.00 23.21 H new ATOM 0 HB3 ALA A 13 2.382 -9.236 -14.258 1.00 23.21 H new ATOM 207 N SER A 14 0.527 -7.843 -12.876 1.00 55.40 N ATOM 208 CA SER A 14 -0.610 -7.866 -11.952 1.00 62.13 C ATOM 209 C SER A 14 -0.562 -6.806 -10.836 1.00 31.31 C ATOM 210 O SER A 14 -1.383 -6.858 -9.921 1.00 13.35 O ATOM 211 CB SER A 14 -0.757 -9.268 -11.359 1.00 20.42 C ATOM 212 OG SER A 14 -0.481 -10.291 -12.301 1.00 32.21 O ATOM 0 H SER A 14 1.276 -8.484 -12.613 1.00 55.40 H new ATOM 0 HA SER A 14 -1.486 -7.604 -12.546 1.00 62.13 H new ATOM 0 HB2 SER A 14 -0.083 -9.371 -10.509 1.00 20.42 H new ATOM 0 HB3 SER A 14 -1.771 -9.393 -10.979 1.00 20.42 H new ATOM 0 HG SER A 14 -0.587 -11.167 -11.874 1.00 32.21 H new ATOM 218 N LYS A 15 0.357 -5.835 -10.911 1.00 0.53 N ATOM 219 CA LYS A 15 0.386 -4.617 -10.091 1.00 22.13 C ATOM 220 C LYS A 15 0.504 -4.934 -8.593 1.00 75.34 C ATOM 221 O LYS A 15 -0.309 -4.497 -7.781 1.00 12.32 O ATOM 222 CB LYS A 15 -0.835 -3.744 -10.443 1.00 53.10 C ATOM 223 CG LYS A 15 -0.774 -3.158 -11.868 1.00 34.14 C ATOM 224 CD LYS A 15 -2.162 -3.063 -12.522 1.00 2.43 C ATOM 225 CE LYS A 15 -2.433 -1.658 -13.058 1.00 22.42 C ATOM 226 NZ LYS A 15 -1.794 -1.405 -14.360 1.00 24.41 N ATOM 0 H LYS A 15 1.133 -5.878 -11.572 1.00 0.53 H new ATOM 0 HA LYS A 15 1.284 -4.043 -10.322 1.00 22.13 H new ATOM 0 HB2 LYS A 15 -1.741 -4.341 -10.341 1.00 53.10 H new ATOM 0 HB3 LYS A 15 -0.909 -2.928 -9.725 1.00 53.10 H new ATOM 0 HG2 LYS A 15 -0.324 -2.166 -11.831 1.00 34.14 H new ATOM 0 HG3 LYS A 15 -0.126 -3.779 -12.486 1.00 34.14 H new ATOM 0 HD2 LYS A 15 -2.232 -3.784 -13.336 1.00 2.43 H new ATOM 0 HD3 LYS A 15 -2.928 -3.330 -11.794 1.00 2.43 H new ATOM 0 HE2 LYS A 15 -3.509 -1.513 -13.154 1.00 22.42 H new ATOM 0 HE3 LYS A 15 -2.075 -0.924 -12.335 1.00 22.42 H new ATOM 0 HZ1 LYS A 15 -2.013 -0.437 -14.672 1.00 24.41 H new ATOM 0 HZ2 LYS A 15 -0.764 -1.514 -14.268 1.00 24.41 H new ATOM 0 HZ3 LYS A 15 -2.153 -2.084 -15.061 1.00 24.41 H new ATOM 240 N THR A 16 1.582 -5.615 -8.224 1.00 44.51 N ATOM 241 CA THR A 16 1.904 -5.996 -6.856 1.00 35.42 C ATOM 242 C THR A 16 3.281 -5.425 -6.514 1.00 51.24 C ATOM 243 O THR A 16 4.196 -5.476 -7.335 1.00 44.22 O ATOM 244 CB THR A 16 1.889 -7.532 -6.771 1.00 60.12 C ATOM 245 OG1 THR A 16 0.682 -8.068 -7.290 1.00 41.52 O ATOM 246 CG2 THR A 16 2.096 -8.070 -5.362 1.00 42.50 C ATOM 0 H THR A 16 2.282 -5.929 -8.896 1.00 44.51 H new ATOM 0 HA THR A 16 1.180 -5.603 -6.142 1.00 35.42 H new ATOM 0 HB THR A 16 2.736 -7.853 -7.377 1.00 60.12 H new ATOM 0 HG1 THR A 16 0.703 -9.046 -7.224 1.00 41.52 H new ATOM 0 HG21 THR A 16 2.073 -9.160 -5.382 1.00 42.50 H new ATOM 0 HG22 THR A 16 3.061 -7.734 -4.982 1.00 42.50 H new ATOM 0 HG23 THR A 16 1.302 -7.702 -4.712 1.00 42.50 H new ATOM 254 N LEU A 17 3.449 -4.897 -5.304 1.00 53.54 N ATOM 255 CA LEU A 17 4.756 -4.604 -4.737 1.00 13.52 C ATOM 256 C LEU A 17 5.233 -5.855 -4.025 1.00 42.44 C ATOM 257 O LEU A 17 4.535 -6.355 -3.143 1.00 51.14 O ATOM 258 CB LEU A 17 4.652 -3.484 -3.695 1.00 75.41 C ATOM 259 CG LEU A 17 5.958 -3.168 -2.930 1.00 35.44 C ATOM 260 CD1 LEU A 17 5.808 -3.660 -1.504 1.00 42.33 C ATOM 261 CD2 LEU A 17 7.308 -3.422 -3.606 1.00 44.20 C ATOM 0 H LEU A 17 2.673 -4.660 -4.687 1.00 53.54 H new ATOM 0 HA LEU A 17 5.437 -4.295 -5.530 1.00 13.52 H new ATOM 0 HB2 LEU A 17 4.315 -2.576 -4.195 1.00 75.41 H new ATOM 0 HB3 LEU A 17 3.883 -3.754 -2.971 1.00 75.41 H new ATOM 0 HG LEU A 17 6.055 -2.082 -2.937 1.00 35.44 H new ATOM 0 HD11 LEU A 17 6.720 -3.446 -0.947 1.00 42.33 H new ATOM 0 HD12 LEU A 17 4.967 -3.153 -1.031 1.00 42.33 H new ATOM 0 HD13 LEU A 17 5.629 -4.735 -1.507 1.00 42.33 H new ATOM 0 HD21 LEU A 17 8.113 -3.145 -2.926 1.00 44.20 H new ATOM 0 HD22 LEU A 17 7.395 -4.479 -3.860 1.00 44.20 H new ATOM 0 HD23 LEU A 17 7.378 -2.824 -4.515 1.00 44.20 H new ATOM 273 N THR A 18 6.456 -6.284 -4.301 1.00 73.23 N ATOM 274 CA THR A 18 7.073 -7.358 -3.550 1.00 15.42 C ATOM 275 C THR A 18 8.475 -6.983 -3.095 1.00 41.52 C ATOM 276 O THR A 18 9.243 -6.345 -3.823 1.00 3.31 O ATOM 277 CB THR A 18 7.037 -8.631 -4.397 1.00 3.45 C ATOM 278 OG1 THR A 18 5.708 -8.951 -4.746 1.00 42.40 O ATOM 279 CG2 THR A 18 7.689 -9.835 -3.727 1.00 73.31 C ATOM 0 H THR A 18 7.040 -5.900 -5.044 1.00 73.23 H new ATOM 0 HA THR A 18 6.513 -7.543 -2.633 1.00 15.42 H new ATOM 0 HB THR A 18 7.624 -8.411 -5.289 1.00 3.45 H new ATOM 0 HG1 THR A 18 5.702 -9.442 -5.594 1.00 42.40 H new ATOM 0 HG21 THR A 18 7.624 -10.699 -4.388 1.00 73.31 H new ATOM 0 HG22 THR A 18 8.736 -9.614 -3.521 1.00 73.31 H new ATOM 0 HG23 THR A 18 7.174 -10.054 -2.792 1.00 73.31 H new ATOM 287 N LEU A 19 8.786 -7.386 -1.862 1.00 40.22 N ATOM 288 CA LEU A 19 9.987 -7.027 -1.131 1.00 75.00 C ATOM 289 C LEU A 19 10.630 -8.273 -0.535 1.00 34.45 C ATOM 290 O LEU A 19 10.014 -9.339 -0.454 1.00 61.44 O ATOM 291 CB LEU A 19 9.613 -6.044 -0.006 1.00 3.22 C ATOM 292 CG LEU A 19 9.154 -4.647 -0.471 1.00 23.45 C ATOM 293 CD1 LEU A 19 8.819 -3.793 0.759 1.00 64.31 C ATOM 294 CD2 LEU A 19 10.263 -3.970 -1.271 1.00 72.11 C ATOM 0 H LEU A 19 8.173 -8.001 -1.326 1.00 40.22 H new ATOM 0 HA LEU A 19 10.699 -6.558 -1.810 1.00 75.00 H new ATOM 0 HB2 LEU A 19 8.817 -6.489 0.592 1.00 3.22 H new ATOM 0 HB3 LEU A 19 10.475 -5.924 0.650 1.00 3.22 H new ATOM 0 HG LEU A 19 8.273 -4.750 -1.104 1.00 23.45 H new ATOM 0 HD11 LEU A 19 8.494 -2.804 0.437 1.00 64.31 H new ATOM 0 HD12 LEU A 19 8.021 -4.271 1.327 1.00 64.31 H new ATOM 0 HD13 LEU A 19 9.704 -3.697 1.388 1.00 64.31 H new ATOM 0 HD21 LEU A 19 9.929 -2.984 -1.595 1.00 72.11 H new ATOM 0 HD22 LEU A 19 11.150 -3.865 -0.646 1.00 72.11 H new ATOM 0 HD23 LEU A 19 10.504 -4.576 -2.144 1.00 72.11 H new ATOM 306 N ARG A 20 11.883 -8.118 -0.101 1.00 4.41 N ATOM 307 CA ARG A 20 12.721 -9.177 0.459 1.00 63.10 C ATOM 308 C ARG A 20 13.258 -8.788 1.842 1.00 34.23 C ATOM 309 O ARG A 20 14.345 -8.209 1.922 1.00 0.23 O ATOM 310 CB ARG A 20 13.851 -9.484 -0.536 1.00 2.51 C ATOM 311 CG ARG A 20 14.589 -10.765 -0.141 1.00 51.52 C ATOM 312 CD ARG A 20 15.920 -10.883 -0.885 1.00 25.01 C ATOM 313 NE ARG A 20 17.036 -10.238 -0.173 1.00 3.52 N ATOM 314 CZ ARG A 20 18.260 -10.763 -0.017 1.00 14.15 C ATOM 315 NH1 ARG A 20 18.638 -11.843 -0.696 1.00 54.11 N ATOM 316 NH2 ARG A 20 19.105 -10.173 0.817 1.00 1.15 N ATOM 0 H ARG A 20 12.358 -7.216 -0.132 1.00 4.41 H new ATOM 0 HA ARG A 20 12.127 -10.079 0.608 1.00 63.10 H new ATOM 0 HB2 ARG A 20 13.439 -9.591 -1.539 1.00 2.51 H new ATOM 0 HB3 ARG A 20 14.552 -8.650 -0.566 1.00 2.51 H new ATOM 0 HG2 ARG A 20 14.768 -10.769 0.934 1.00 51.52 H new ATOM 0 HG3 ARG A 20 13.966 -11.631 -0.364 1.00 51.52 H new ATOM 0 HD2 ARG A 20 16.153 -11.937 -1.036 1.00 25.01 H new ATOM 0 HD3 ARG A 20 15.819 -10.434 -1.873 1.00 25.01 H new ATOM 0 HE ARG A 20 16.864 -9.319 0.234 1.00 3.52 H new ATOM 0 HH11 ARG A 20 17.992 -12.287 -1.349 1.00 54.11 H new ATOM 0 HH12 ARG A 20 19.573 -12.227 -0.563 1.00 54.11 H new ATOM 0 HH21 ARG A 20 18.819 -9.336 1.325 1.00 1.15 H new ATOM 0 HH22 ARG A 20 20.041 -10.556 0.950 1.00 1.15 H new ATOM 330 N TYR A 21 12.479 -8.966 2.909 1.00 1.32 N ATOM 331 CA TYR A 21 12.782 -8.693 4.312 1.00 40.44 C ATOM 332 C TYR A 21 13.904 -9.633 4.780 1.00 43.51 C ATOM 333 O TYR A 21 13.690 -10.575 5.545 1.00 24.02 O ATOM 334 CB TYR A 21 11.473 -8.805 5.131 1.00 23.14 C ATOM 335 CG TYR A 21 11.557 -8.408 6.600 1.00 21.35 C ATOM 336 CD1 TYR A 21 11.457 -7.059 7.003 1.00 51.23 C ATOM 337 CD2 TYR A 21 11.751 -9.399 7.583 1.00 4.42 C ATOM 338 CE1 TYR A 21 11.662 -6.690 8.343 1.00 31.34 C ATOM 339 CE2 TYR A 21 11.931 -9.043 8.931 1.00 1.54 C ATOM 340 CZ TYR A 21 11.912 -7.683 9.317 1.00 51.14 C ATOM 341 OH TYR A 21 12.181 -7.330 10.601 1.00 73.20 O ATOM 0 H TYR A 21 11.535 -9.338 2.803 1.00 1.32 H new ATOM 0 HA TYR A 21 13.157 -7.680 4.459 1.00 40.44 H new ATOM 0 HB2 TYR A 21 10.716 -8.184 4.652 1.00 23.14 H new ATOM 0 HB3 TYR A 21 11.122 -9.835 5.075 1.00 23.14 H new ATOM 0 HD1 TYR A 21 11.220 -6.301 6.272 1.00 51.23 H new ATOM 0 HD2 TYR A 21 11.761 -10.441 7.298 1.00 4.42 H new ATOM 0 HE1 TYR A 21 11.629 -5.649 8.628 1.00 31.34 H new ATOM 0 HE2 TYR A 21 12.084 -9.811 9.674 1.00 1.54 H new ATOM 0 HH TYR A 21 12.327 -8.136 11.138 1.00 73.20 H new ATOM 351 N GLY A 22 15.128 -9.356 4.332 1.00 61.22 N ATOM 352 CA GLY A 22 16.307 -10.140 4.626 1.00 2.22 C ATOM 353 C GLY A 22 16.232 -11.489 3.928 1.00 13.41 C ATOM 354 O GLY A 22 16.582 -11.602 2.752 1.00 23.21 O ATOM 0 H GLY A 22 15.323 -8.552 3.736 1.00 61.22 H new ATOM 0 HA2 GLY A 22 17.199 -9.604 4.301 1.00 2.22 H new ATOM 0 HA3 GLY A 22 16.397 -10.285 5.703 1.00 2.22 H new ATOM 358 N GLU A 23 15.746 -12.495 4.647 1.00 11.11 N ATOM 359 CA GLU A 23 15.598 -13.857 4.146 1.00 64.00 C ATOM 360 C GLU A 23 14.178 -14.156 3.666 1.00 62.01 C ATOM 361 O GLU A 23 13.969 -15.181 3.015 1.00 12.41 O ATOM 362 CB GLU A 23 16.139 -14.865 5.172 1.00 34.01 C ATOM 363 CG GLU A 23 15.099 -15.431 6.138 1.00 61.34 C ATOM 364 CD GLU A 23 15.549 -16.758 6.741 1.00 65.40 C ATOM 365 OE1 GLU A 23 15.415 -17.805 6.064 1.00 51.40 O ATOM 366 OE2 GLU A 23 16.095 -16.763 7.869 1.00 3.51 O ATOM 0 H GLU A 23 15.438 -12.385 5.613 1.00 11.11 H new ATOM 0 HA GLU A 23 16.209 -13.963 3.250 1.00 64.00 H new ATOM 0 HB2 GLU A 23 16.601 -15.693 4.635 1.00 34.01 H new ATOM 0 HB3 GLU A 23 16.926 -14.382 5.752 1.00 34.01 H new ATOM 0 HG2 GLU A 23 14.916 -14.712 6.937 1.00 61.34 H new ATOM 0 HG3 GLU A 23 14.154 -15.572 5.613 1.00 61.34 H new ATOM 373 N ASP A 24 13.205 -13.329 4.050 1.00 12.42 N ATOM 374 CA ASP A 24 11.790 -13.587 3.779 1.00 33.12 C ATOM 375 C ASP A 24 11.329 -12.837 2.536 1.00 2.44 C ATOM 376 O ASP A 24 11.934 -11.828 2.167 1.00 1.21 O ATOM 377 CB ASP A 24 10.915 -13.169 4.975 1.00 11.11 C ATOM 378 CG ASP A 24 10.028 -14.330 5.409 1.00 2.33 C ATOM 379 OD1 ASP A 24 9.353 -14.936 4.547 1.00 44.44 O ATOM 380 OD2 ASP A 24 10.026 -14.664 6.613 1.00 2.55 O ATOM 0 H ASP A 24 13.376 -12.461 4.558 1.00 12.42 H new ATOM 0 HA ASP A 24 11.681 -14.659 3.613 1.00 33.12 H new ATOM 0 HB2 ASP A 24 11.547 -12.855 5.805 1.00 11.11 H new ATOM 0 HB3 ASP A 24 10.298 -12.313 4.702 1.00 11.11 H new ATOM 385 N SER A 25 10.188 -13.214 1.963 1.00 64.23 N ATOM 386 CA SER A 25 9.608 -12.613 0.771 1.00 10.32 C ATOM 387 C SER A 25 8.123 -12.328 0.986 1.00 62.43 C ATOM 388 O SER A 25 7.373 -13.250 1.292 1.00 2.42 O ATOM 389 CB SER A 25 9.853 -13.513 -0.450 1.00 32.12 C ATOM 390 OG SER A 25 10.308 -14.825 -0.169 1.00 1.51 O ATOM 0 H SER A 25 9.622 -13.977 2.334 1.00 64.23 H new ATOM 0 HA SER A 25 10.095 -11.658 0.577 1.00 10.32 H new ATOM 0 HB2 SER A 25 8.925 -13.585 -1.017 1.00 32.12 H new ATOM 0 HB3 SER A 25 10.584 -13.026 -1.096 1.00 32.12 H new ATOM 0 HG SER A 25 10.431 -15.315 -1.009 1.00 1.51 H new ATOM 396 N TYR A 26 7.703 -11.064 0.868 1.00 33.25 N ATOM 397 CA TYR A 26 6.311 -10.665 1.025 1.00 42.32 C ATOM 398 C TYR A 26 5.877 -9.821 -0.165 1.00 71.12 C ATOM 399 O TYR A 26 6.605 -8.928 -0.611 1.00 32.41 O ATOM 400 CB TYR A 26 6.131 -9.870 2.320 1.00 63.00 C ATOM 401 CG TYR A 26 6.666 -10.546 3.563 1.00 10.55 C ATOM 402 CD1 TYR A 26 6.120 -11.763 4.002 1.00 73.30 C ATOM 403 CD2 TYR A 26 7.728 -9.957 4.269 1.00 33.15 C ATOM 404 CE1 TYR A 26 6.595 -12.367 5.176 1.00 74.24 C ATOM 405 CE2 TYR A 26 8.227 -10.569 5.432 1.00 45.24 C ATOM 406 CZ TYR A 26 7.635 -11.758 5.906 1.00 53.10 C ATOM 407 OH TYR A 26 8.065 -12.284 7.081 1.00 54.43 O ATOM 0 H TYR A 26 8.329 -10.287 0.659 1.00 33.25 H new ATOM 0 HA TYR A 26 5.692 -11.561 1.073 1.00 42.32 H new ATOM 0 HB2 TYR A 26 6.625 -8.905 2.208 1.00 63.00 H new ATOM 0 HB3 TYR A 26 5.069 -9.670 2.462 1.00 63.00 H new ATOM 0 HD1 TYR A 26 5.332 -12.236 3.434 1.00 73.30 H new ATOM 0 HD2 TYR A 26 8.162 -9.032 3.918 1.00 33.15 H new ATOM 0 HE1 TYR A 26 6.165 -13.296 5.519 1.00 74.24 H new ATOM 0 HE2 TYR A 26 9.060 -10.130 5.960 1.00 45.24 H new ATOM 0 HH TYR A 26 9.010 -12.060 7.213 1.00 54.43 H new ATOM 417 N ASP A 27 4.650 -10.061 -0.610 1.00 20.25 N ATOM 418 CA ASP A 27 4.028 -9.582 -1.836 1.00 42.11 C ATOM 419 C ASP A 27 2.712 -8.914 -1.455 1.00 0.53 C ATOM 420 O ASP A 27 1.750 -9.584 -1.062 1.00 13.42 O ATOM 421 CB ASP A 27 3.846 -10.734 -2.844 1.00 43.34 C ATOM 422 CG ASP A 27 3.231 -12.002 -2.253 1.00 65.03 C ATOM 423 OD1 ASP A 27 4.004 -12.859 -1.756 1.00 63.20 O ATOM 424 OD2 ASP A 27 2.002 -12.187 -2.323 1.00 21.02 O ATOM 0 H ASP A 27 4.010 -10.647 -0.075 1.00 20.25 H new ATOM 0 HA ASP A 27 4.663 -8.851 -2.338 1.00 42.11 H new ATOM 0 HB2 ASP A 27 3.216 -10.387 -3.663 1.00 43.34 H new ATOM 0 HB3 ASP A 27 4.817 -10.982 -3.272 1.00 43.34 H new ATOM 429 N LEU A 28 2.696 -7.576 -1.449 1.00 11.13 N ATOM 430 CA LEU A 28 1.534 -6.796 -1.045 1.00 24.02 C ATOM 431 C LEU A 28 0.889 -6.134 -2.277 1.00 31.34 C ATOM 432 O LEU A 28 1.588 -5.599 -3.146 1.00 32.42 O ATOM 433 CB LEU A 28 1.910 -5.711 -0.017 1.00 22.01 C ATOM 434 CG LEU A 28 3.178 -5.909 0.838 1.00 42.42 C ATOM 435 CD1 LEU A 28 3.221 -4.812 1.893 1.00 2.24 C ATOM 436 CD2 LEU A 28 3.300 -7.262 1.550 1.00 31.35 C ATOM 0 H LEU A 28 3.496 -7.007 -1.727 1.00 11.13 H new ATOM 0 HA LEU A 28 0.824 -7.478 -0.577 1.00 24.02 H new ATOM 0 HB2 LEU A 28 2.018 -4.769 -0.555 1.00 22.01 H new ATOM 0 HB3 LEU A 28 1.067 -5.594 0.664 1.00 22.01 H new ATOM 0 HG LEU A 28 4.011 -5.870 0.136 1.00 42.42 H new ATOM 0 HD11 LEU A 28 4.112 -4.934 2.509 1.00 2.24 H new ATOM 0 HD12 LEU A 28 3.249 -3.838 1.404 1.00 2.24 H new ATOM 0 HD13 LEU A 28 2.333 -4.877 2.522 1.00 2.24 H new ATOM 0 HD21 LEU A 28 4.228 -7.290 2.121 1.00 31.35 H new ATOM 0 HD22 LEU A 28 2.455 -7.395 2.225 1.00 31.35 H new ATOM 0 HD23 LEU A 28 3.304 -8.063 0.811 1.00 31.35 H new ATOM 448 N PRO A 29 -0.445 -6.029 -2.320 1.00 14.11 N ATOM 449 CA PRO A 29 -1.166 -5.531 -3.492 1.00 74.12 C ATOM 450 C PRO A 29 -1.098 -4.008 -3.592 1.00 71.40 C ATOM 451 O PRO A 29 -0.814 -3.325 -2.600 1.00 1.41 O ATOM 452 CB PRO A 29 -2.608 -5.979 -3.273 1.00 31.14 C ATOM 453 CG PRO A 29 -2.739 -6.048 -1.756 1.00 60.40 C ATOM 454 CD PRO A 29 -1.363 -6.523 -1.310 1.00 24.43 C ATOM 0 HA PRO A 29 -0.736 -5.913 -4.418 1.00 74.12 H new ATOM 0 HB2 PRO A 29 -3.317 -5.272 -3.704 1.00 31.14 H new ATOM 0 HB3 PRO A 29 -2.801 -6.947 -3.736 1.00 31.14 H new ATOM 0 HG2 PRO A 29 -2.988 -5.077 -1.329 1.00 60.40 H new ATOM 0 HG3 PRO A 29 -3.523 -6.741 -1.450 1.00 60.40 H new ATOM 0 HD2 PRO A 29 -1.112 -6.132 -0.324 1.00 24.43 H new ATOM 0 HD3 PRO A 29 -1.325 -7.610 -1.241 1.00 24.43 H new ATOM 462 N ALA A 30 -1.403 -3.442 -4.762 1.00 13.32 N ATOM 463 CA ALA A 30 -1.479 -1.992 -4.889 1.00 72.02 C ATOM 464 C ALA A 30 -2.657 -1.450 -4.055 1.00 20.11 C ATOM 465 O ALA A 30 -2.595 -0.346 -3.521 1.00 2.34 O ATOM 466 CB ALA A 30 -1.540 -1.598 -6.364 1.00 23.31 C ATOM 0 H ALA A 30 -1.598 -3.959 -5.620 1.00 13.32 H new ATOM 0 HA ALA A 30 -0.578 -1.530 -4.485 1.00 72.02 H new ATOM 0 HB1 ALA A 30 -1.597 -0.513 -6.449 1.00 23.31 H new ATOM 0 HB2 ALA A 30 -0.645 -1.956 -6.873 1.00 23.31 H new ATOM 0 HB3 ALA A 30 -2.422 -2.044 -6.824 1.00 23.31 H new ATOM 472 N GLU A 31 -3.711 -2.246 -3.850 1.00 72.12 N ATOM 473 CA GLU A 31 -4.836 -1.855 -3.002 1.00 64.21 C ATOM 474 C GLU A 31 -4.444 -1.714 -1.511 1.00 22.04 C ATOM 475 O GLU A 31 -5.171 -1.036 -0.778 1.00 64.50 O ATOM 476 CB GLU A 31 -5.996 -2.856 -3.193 1.00 51.04 C ATOM 477 CG GLU A 31 -5.805 -4.147 -2.386 1.00 52.13 C ATOM 478 CD GLU A 31 -6.500 -5.377 -2.968 1.00 35.11 C ATOM 479 OE1 GLU A 31 -6.185 -5.773 -4.116 1.00 3.31 O ATOM 480 OE2 GLU A 31 -7.318 -5.984 -2.243 1.00 75.22 O ATOM 0 H GLU A 31 -3.806 -3.173 -4.265 1.00 72.12 H new ATOM 0 HA GLU A 31 -5.162 -0.863 -3.314 1.00 64.21 H new ATOM 0 HB2 GLU A 31 -6.932 -2.382 -2.896 1.00 51.04 H new ATOM 0 HB3 GLU A 31 -6.086 -3.104 -4.251 1.00 51.04 H new ATOM 0 HG2 GLU A 31 -4.738 -4.354 -2.306 1.00 52.13 H new ATOM 0 HG3 GLU A 31 -6.174 -3.984 -1.374 1.00 52.13 H new ATOM 487 N PHE A 32 -3.352 -2.359 -1.056 1.00 40.14 N ATOM 488 CA PHE A 32 -2.874 -2.329 0.332 1.00 4.52 C ATOM 489 C PHE A 32 -2.223 -0.981 0.612 1.00 55.24 C ATOM 490 O PHE A 32 -2.777 -0.158 1.335 1.00 43.33 O ATOM 491 CB PHE A 32 -1.905 -3.493 0.617 1.00 31.33 C ATOM 492 CG PHE A 32 -1.108 -3.413 1.910 1.00 44.33 C ATOM 493 CD1 PHE A 32 -1.653 -3.947 3.093 1.00 75.03 C ATOM 494 CD2 PHE A 32 0.201 -2.874 1.938 1.00 54.11 C ATOM 495 CE1 PHE A 32 -0.914 -3.950 4.285 1.00 61.14 C ATOM 496 CE2 PHE A 32 0.938 -2.901 3.132 1.00 63.13 C ATOM 497 CZ PHE A 32 0.391 -3.446 4.293 1.00 42.34 C ATOM 0 H PHE A 32 -2.765 -2.930 -1.664 1.00 40.14 H new ATOM 0 HA PHE A 32 -3.724 -2.456 1.003 1.00 4.52 H new ATOM 0 HB2 PHE A 32 -2.479 -4.420 0.627 1.00 31.33 H new ATOM 0 HB3 PHE A 32 -1.202 -3.562 -0.213 1.00 31.33 H new ATOM 0 HD1 PHE A 32 -2.651 -4.359 3.083 1.00 75.03 H new ATOM 0 HD2 PHE A 32 0.630 -2.444 1.045 1.00 54.11 H new ATOM 0 HE1 PHE A 32 -1.350 -4.340 5.193 1.00 61.14 H new ATOM 0 HE2 PHE A 32 1.939 -2.496 3.152 1.00 63.13 H new ATOM 0 HZ PHE A 32 0.976 -3.479 5.200 1.00 42.34 H new ATOM 507 N LEU A 33 -1.057 -0.715 0.020 1.00 1.34 N ATOM 508 CA LEU A 33 -0.298 0.486 0.329 1.00 74.44 C ATOM 509 C LEU A 33 -1.098 1.738 0.068 1.00 12.52 C ATOM 510 O LEU A 33 -0.974 2.665 0.849 1.00 43.40 O ATOM 511 CB LEU A 33 0.969 0.516 -0.489 1.00 71.42 C ATOM 512 CG LEU A 33 2.015 -0.512 -0.097 1.00 34.42 C ATOM 513 CD1 LEU A 33 2.366 -0.479 1.391 1.00 61.04 C ATOM 514 CD2 LEU A 33 2.003 -1.835 -0.872 1.00 43.40 C ATOM 0 H LEU A 33 -0.622 -1.320 -0.677 1.00 1.34 H new ATOM 0 HA LEU A 33 -0.055 0.459 1.391 1.00 74.44 H new ATOM 0 HB2 LEU A 33 0.710 0.366 -1.537 1.00 71.42 H new ATOM 0 HB3 LEU A 33 1.411 1.509 -0.409 1.00 71.42 H new ATOM 0 HG LEU A 33 2.962 -0.179 -0.521 1.00 34.42 H new ATOM 0 HD11 LEU A 33 3.119 -1.238 1.604 1.00 61.04 H new ATOM 0 HD12 LEU A 33 2.758 0.504 1.651 1.00 61.04 H new ATOM 0 HD13 LEU A 33 1.471 -0.680 1.980 1.00 61.04 H new ATOM 0 HD21 LEU A 33 2.796 -2.483 -0.499 1.00 43.40 H new ATOM 0 HD22 LEU A 33 1.040 -2.327 -0.737 1.00 43.40 H new ATOM 0 HD23 LEU A 33 2.165 -1.637 -1.932 1.00 43.40 H new ATOM 526 N ARG A 34 -2.003 1.725 -0.918 1.00 23.23 N ATOM 527 CA ARG A 34 -2.954 2.823 -1.106 1.00 4.23 C ATOM 528 C ARG A 34 -3.608 3.266 0.219 1.00 0.41 C ATOM 529 O ARG A 34 -3.640 4.467 0.512 1.00 73.30 O ATOM 530 CB ARG A 34 -4.005 2.454 -2.168 1.00 15.42 C ATOM 531 CG ARG A 34 -5.244 3.374 -2.183 1.00 24.53 C ATOM 532 CD ARG A 34 -4.912 4.855 -2.417 1.00 31.35 C ATOM 533 NE ARG A 34 -5.647 5.775 -1.522 1.00 73.51 N ATOM 534 CZ ARG A 34 -5.275 7.049 -1.327 1.00 61.30 C ATOM 535 NH1 ARG A 34 -4.342 7.610 -2.080 1.00 4.54 N ATOM 536 NH2 ARG A 34 -5.848 7.787 -0.391 1.00 72.50 N ATOM 0 H ARG A 34 -2.095 0.968 -1.595 1.00 23.23 H new ATOM 0 HA ARG A 34 -2.393 3.684 -1.470 1.00 4.23 H new ATOM 0 HB2 ARG A 34 -3.535 2.481 -3.151 1.00 15.42 H new ATOM 0 HB3 ARG A 34 -4.331 1.428 -1.998 1.00 15.42 H new ATOM 0 HG2 ARG A 34 -5.926 3.036 -2.963 1.00 24.53 H new ATOM 0 HG3 ARG A 34 -5.771 3.275 -1.234 1.00 24.53 H new ATOM 0 HD2 ARG A 34 -3.841 5.005 -2.279 1.00 31.35 H new ATOM 0 HD3 ARG A 34 -5.138 5.110 -3.452 1.00 31.35 H new ATOM 0 HE ARG A 34 -6.471 5.426 -1.033 1.00 73.51 H new ATOM 0 HH11 ARG A 34 -3.894 7.072 -2.822 1.00 4.54 H new ATOM 0 HH12 ARG A 34 -4.071 8.580 -1.918 1.00 4.54 H new ATOM 0 HH21 ARG A 34 -6.583 7.389 0.194 1.00 72.50 H new ATOM 0 HH22 ARG A 34 -5.555 8.754 -0.254 1.00 72.50 H new ATOM 550 N VAL A 35 -4.161 2.351 1.020 1.00 61.24 N ATOM 551 CA VAL A 35 -4.803 2.751 2.277 1.00 61.23 C ATOM 552 C VAL A 35 -3.775 3.226 3.313 1.00 34.42 C ATOM 553 O VAL A 35 -4.130 3.997 4.197 1.00 2.21 O ATOM 554 CB VAL A 35 -5.762 1.675 2.840 1.00 54.04 C ATOM 555 CG1 VAL A 35 -6.915 1.433 1.859 1.00 4.42 C ATOM 556 CG2 VAL A 35 -5.145 0.308 3.149 1.00 54.44 C ATOM 0 H VAL A 35 -4.179 1.349 0.828 1.00 61.24 H new ATOM 0 HA VAL A 35 -5.436 3.606 2.041 1.00 61.23 H new ATOM 0 HB VAL A 35 -6.083 2.097 3.792 1.00 54.04 H new ATOM 0 HG11 VAL A 35 -7.584 0.674 2.264 1.00 4.42 H new ATOM 0 HG12 VAL A 35 -7.467 2.361 1.710 1.00 4.42 H new ATOM 0 HG13 VAL A 35 -6.515 1.091 0.904 1.00 4.42 H new ATOM 0 HG21 VAL A 35 -5.915 -0.359 3.537 1.00 54.44 H new ATOM 0 HG22 VAL A 35 -4.723 -0.115 2.237 1.00 54.44 H new ATOM 0 HG23 VAL A 35 -4.357 0.424 3.893 1.00 54.44 H new ATOM 566 N HIS A 36 -2.503 2.838 3.184 1.00 33.13 N ATOM 567 CA HIS A 36 -1.419 3.138 4.115 1.00 74.44 C ATOM 568 C HIS A 36 -0.451 4.212 3.572 1.00 64.01 C ATOM 569 O HIS A 36 0.635 4.368 4.133 1.00 15.15 O ATOM 570 CB HIS A 36 -0.700 1.818 4.484 1.00 53.32 C ATOM 571 CG HIS A 36 -0.497 1.652 5.970 1.00 3.33 C ATOM 572 ND1 HIS A 36 0.244 2.464 6.802 1.00 15.52 N ATOM 573 CD2 HIS A 36 -1.101 0.710 6.756 1.00 74.31 C ATOM 574 CE1 HIS A 36 0.082 2.022 8.060 1.00 15.44 C ATOM 575 NE2 HIS A 36 -0.784 0.996 8.084 1.00 51.14 N ATOM 0 H HIS A 36 -2.190 2.280 2.389 1.00 33.13 H new ATOM 0 HA HIS A 36 -1.840 3.576 5.020 1.00 74.44 H new ATOM 0 HB2 HIS A 36 -1.281 0.977 4.106 1.00 53.32 H new ATOM 0 HB3 HIS A 36 0.269 1.787 3.985 1.00 53.32 H new ATOM 0 HD1 HIS A 36 0.814 3.259 6.514 1.00 15.52 H new ATOM 0 HD2 HIS A 36 -1.714 -0.109 6.410 1.00 74.31 H new ATOM 0 HE1 HIS A 36 0.577 2.433 8.928 1.00 15.44 H new ATOM 583 N SER A 37 -0.764 4.891 2.462 1.00 44.20 N ATOM 584 CA SER A 37 0.051 5.864 1.740 1.00 13.13 C ATOM 585 C SER A 37 0.087 7.234 2.448 1.00 41.14 C ATOM 586 O SER A 37 -0.857 8.018 2.304 1.00 75.24 O ATOM 587 CB SER A 37 -0.316 5.833 0.244 1.00 40.54 C ATOM 588 OG SER A 37 -1.443 6.594 -0.141 1.00 20.33 O ATOM 0 H SER A 37 -1.670 4.760 2.012 1.00 44.20 H new ATOM 0 HA SER A 37 1.105 5.589 1.764 1.00 13.13 H new ATOM 0 HB2 SER A 37 0.544 6.183 -0.326 1.00 40.54 H new ATOM 0 HB3 SER A 37 -0.489 4.796 -0.044 1.00 40.54 H new ATOM 0 HG SER A 37 -1.620 7.282 0.535 1.00 20.33 H new ATOM 594 N PRO A 38 1.012 7.477 3.398 1.00 2.22 N ATOM 595 CA PRO A 38 0.882 8.568 4.353 1.00 11.22 C ATOM 596 C PRO A 38 1.450 9.863 3.759 1.00 74.00 C ATOM 597 O PRO A 38 2.378 10.454 4.318 1.00 11.15 O ATOM 598 CB PRO A 38 1.702 8.059 5.531 1.00 40.43 C ATOM 599 CG PRO A 38 2.916 7.431 4.841 1.00 41.24 C ATOM 600 CD PRO A 38 2.344 6.890 3.524 1.00 51.11 C ATOM 0 HA PRO A 38 -0.143 8.814 4.630 1.00 11.22 H new ATOM 0 HB2 PRO A 38 1.990 8.866 6.204 1.00 40.43 H new ATOM 0 HB3 PRO A 38 1.150 7.330 6.125 1.00 40.43 H new ATOM 0 HG2 PRO A 38 3.701 8.166 4.665 1.00 41.24 H new ATOM 0 HG3 PRO A 38 3.353 6.636 5.445 1.00 41.24 H new ATOM 0 HD2 PRO A 38 2.975 7.168 2.680 1.00 51.11 H new ATOM 0 HD3 PRO A 38 2.292 5.801 3.538 1.00 51.11 H new ATOM 608 N SER A 39 0.826 10.337 2.681 1.00 14.44 N ATOM 609 CA SER A 39 1.278 11.410 1.798 1.00 71.40 C ATOM 610 C SER A 39 2.636 11.104 1.138 1.00 72.41 C ATOM 611 O SER A 39 3.374 10.211 1.562 1.00 54.50 O ATOM 612 CB SER A 39 1.247 12.726 2.593 1.00 43.41 C ATOM 613 OG SER A 39 2.290 13.607 2.256 1.00 2.45 O ATOM 0 H SER A 39 -0.071 9.954 2.382 1.00 14.44 H new ATOM 0 HA SER A 39 0.601 11.505 0.949 1.00 71.40 H new ATOM 0 HB2 SER A 39 0.292 13.223 2.422 1.00 43.41 H new ATOM 0 HB3 SER A 39 1.302 12.500 3.658 1.00 43.41 H new ATOM 0 HG SER A 39 3.139 13.254 2.595 1.00 2.45 H new ATOM 619 N ALA A 40 3.016 11.891 0.127 1.00 54.22 N ATOM 620 CA ALA A 40 4.354 11.889 -0.445 1.00 42.21 C ATOM 621 C ALA A 40 5.147 13.163 -0.170 1.00 1.45 C ATOM 622 O ALA A 40 6.371 13.148 -0.299 1.00 64.31 O ATOM 623 CB ALA A 40 4.238 11.727 -1.949 1.00 63.01 C ATOM 0 H ALA A 40 2.387 12.557 -0.321 1.00 54.22 H new ATOM 0 HA ALA A 40 4.891 11.066 0.026 1.00 42.21 H new ATOM 0 HB1 ALA A 40 5.234 11.724 -2.392 1.00 63.01 H new ATOM 0 HB2 ALA A 40 3.737 10.786 -2.176 1.00 63.01 H new ATOM 0 HB3 ALA A 40 3.660 12.555 -2.361 1.00 63.01 H new ATOM 629 N GLU A 41 4.481 14.267 0.170 1.00 24.24 N ATOM 630 CA GLU A 41 5.108 15.588 0.121 1.00 42.11 C ATOM 631 C GLU A 41 4.825 16.472 1.329 1.00 4.51 C ATOM 632 O GLU A 41 5.197 17.645 1.367 1.00 72.44 O ATOM 633 CB GLU A 41 4.886 16.266 -1.244 1.00 2.44 C ATOM 634 CG GLU A 41 5.710 15.544 -2.327 1.00 2.14 C ATOM 635 CD GLU A 41 5.827 16.326 -3.630 1.00 23.33 C ATOM 636 OE1 GLU A 41 6.387 17.442 -3.632 1.00 24.04 O ATOM 637 OE2 GLU A 41 5.427 15.792 -4.691 1.00 55.50 O ATOM 0 H GLU A 41 3.510 14.273 0.482 1.00 24.24 H new ATOM 0 HA GLU A 41 6.182 15.422 0.206 1.00 42.11 H new ATOM 0 HB2 GLU A 41 3.828 16.243 -1.504 1.00 2.44 H new ATOM 0 HB3 GLU A 41 5.178 17.315 -1.191 1.00 2.44 H new ATOM 0 HG2 GLU A 41 6.710 15.348 -1.940 1.00 2.14 H new ATOM 0 HG3 GLU A 41 5.253 14.576 -2.534 1.00 2.14 H new ATOM 644 N VAL A 42 4.309 15.851 2.380 1.00 4.24 N ATOM 645 CA VAL A 42 3.942 16.469 3.649 1.00 15.55 C ATOM 646 C VAL A 42 4.782 15.872 4.790 1.00 15.11 C ATOM 647 O VAL A 42 4.886 16.472 5.861 1.00 35.02 O ATOM 648 CB VAL A 42 2.418 16.329 3.858 1.00 55.43 C ATOM 649 CG1 VAL A 42 1.950 17.174 5.047 1.00 23.13 C ATOM 650 CG2 VAL A 42 1.632 16.718 2.582 1.00 35.12 C ATOM 0 H VAL A 42 4.125 14.848 2.371 1.00 4.24 H new ATOM 0 HA VAL A 42 4.165 17.536 3.640 1.00 15.55 H new ATOM 0 HB VAL A 42 2.214 15.280 4.073 1.00 55.43 H new ATOM 0 HG11 VAL A 42 0.874 17.059 5.174 1.00 23.13 H new ATOM 0 HG12 VAL A 42 2.460 16.843 5.952 1.00 23.13 H new ATOM 0 HG13 VAL A 42 2.183 18.223 4.862 1.00 23.13 H new ATOM 0 HG21 VAL A 42 0.563 16.608 2.765 1.00 35.12 H new ATOM 0 HG22 VAL A 42 1.850 17.754 2.322 1.00 35.12 H new ATOM 0 HG23 VAL A 42 1.928 16.067 1.760 1.00 35.12 H new ATOM 660 N GLN A 43 5.480 14.758 4.528 1.00 52.34 N ATOM 661 CA GLN A 43 6.453 14.083 5.386 1.00 32.04 C ATOM 662 C GLN A 43 5.778 13.301 6.527 1.00 2.51 C ATOM 663 O GLN A 43 6.453 12.780 7.415 1.00 63.41 O ATOM 664 CB GLN A 43 7.542 15.062 5.882 1.00 21.25 C ATOM 665 CG GLN A 43 8.096 16.031 4.806 1.00 53.34 C ATOM 666 CD GLN A 43 8.779 17.256 5.410 1.00 21.14 C ATOM 667 OE1 GLN A 43 9.909 17.616 5.080 1.00 2.53 O ATOM 668 NE2 GLN A 43 8.071 17.994 6.245 1.00 35.02 N ATOM 0 H GLN A 43 5.367 14.270 3.639 1.00 52.34 H new ATOM 0 HA GLN A 43 6.963 13.334 4.779 1.00 32.04 H new ATOM 0 HB2 GLN A 43 7.132 15.651 6.703 1.00 21.25 H new ATOM 0 HB3 GLN A 43 8.371 14.483 6.288 1.00 21.25 H new ATOM 0 HG2 GLN A 43 8.807 15.498 4.175 1.00 53.34 H new ATOM 0 HG3 GLN A 43 7.280 16.356 4.161 1.00 53.34 H new ATOM 0 HE21 GLN A 43 7.135 17.697 6.520 1.00 35.02 H new ATOM 0 HE22 GLN A 43 8.461 18.861 6.615 1.00 35.02 H new ATOM 677 N GLY A 44 4.451 13.173 6.491 1.00 51.32 N ATOM 678 CA GLY A 44 3.636 12.375 7.396 1.00 43.41 C ATOM 679 C GLY A 44 2.480 13.239 7.867 1.00 55.41 C ATOM 680 O GLY A 44 1.755 13.794 7.038 1.00 22.22 O ATOM 0 H GLY A 44 3.888 13.652 5.788 1.00 51.32 H new ATOM 0 HA2 GLY A 44 3.265 11.484 6.890 1.00 43.41 H new ATOM 0 HA3 GLY A 44 4.229 12.036 8.245 1.00 43.41 H new ATOM 684 N HIS A 45 2.345 13.383 9.187 1.00 71.02 N ATOM 685 CA HIS A 45 1.559 14.400 9.886 1.00 40.54 C ATOM 686 C HIS A 45 0.043 14.355 9.641 1.00 71.41 C ATOM 687 O HIS A 45 -0.678 15.209 10.166 1.00 52.24 O ATOM 688 CB HIS A 45 2.158 15.797 9.628 1.00 52.14 C ATOM 689 CG HIS A 45 3.490 16.022 10.300 1.00 40.13 C ATOM 690 ND1 HIS A 45 3.750 16.937 11.301 1.00 33.34 N ATOM 691 CD2 HIS A 45 4.653 15.352 10.031 1.00 52.10 C ATOM 692 CE1 HIS A 45 5.044 16.807 11.635 1.00 64.10 C ATOM 693 NE2 HIS A 45 5.616 15.813 10.933 1.00 31.34 N ATOM 0 H HIS A 45 2.812 12.751 9.837 1.00 71.02 H new ATOM 0 HA HIS A 45 1.639 14.161 10.946 1.00 40.54 H new ATOM 0 HB2 HIS A 45 2.275 15.939 8.554 1.00 52.14 H new ATOM 0 HB3 HIS A 45 1.454 16.554 9.975 1.00 52.14 H new ATOM 0 HD2 HIS A 45 4.799 14.606 9.264 1.00 52.10 H new ATOM 0 HE1 HIS A 45 5.555 17.416 12.366 1.00 64.10 H new ATOM 0 HE2 HIS A 45 6.568 15.463 11.038 1.00 31.34 H new ATOM 701 N GLY A 46 -0.475 13.370 8.906 1.00 2.25 N ATOM 702 CA GLY A 46 -1.891 13.300 8.599 1.00 55.10 C ATOM 703 C GLY A 46 -2.700 13.050 9.861 1.00 12.35 C ATOM 704 O GLY A 46 -2.292 12.273 10.727 1.00 20.25 O ATOM 0 H GLY A 46 0.076 12.607 8.513 1.00 2.25 H new ATOM 0 HA2 GLY A 46 -2.214 14.230 8.132 1.00 55.10 H new ATOM 0 HA3 GLY A 46 -2.074 12.502 7.879 1.00 55.10 H new ATOM 708 N ASN A 47 -3.871 13.679 9.943 1.00 20.33 N ATOM 709 CA ASN A 47 -4.954 13.224 10.814 1.00 0.14 C ATOM 710 C ASN A 47 -5.356 11.799 10.396 1.00 12.15 C ATOM 711 O ASN A 47 -5.233 11.472 9.215 1.00 21.33 O ATOM 712 CB ASN A 47 -6.167 14.182 10.725 1.00 32.23 C ATOM 713 CG ASN A 47 -6.590 14.618 9.319 1.00 40.42 C ATOM 714 OD1 ASN A 47 -6.856 15.794 9.083 1.00 11.11 O ATOM 715 ND2 ASN A 47 -6.621 13.738 8.332 1.00 53.33 N ATOM 0 H ASN A 47 -4.096 14.518 9.408 1.00 20.33 H new ATOM 0 HA ASN A 47 -4.613 13.220 11.849 1.00 0.14 H new ATOM 0 HB2 ASN A 47 -7.019 13.699 11.204 1.00 32.23 H new ATOM 0 HB3 ASN A 47 -5.939 15.076 11.306 1.00 32.23 H new ATOM 0 HD21 ASN A 47 -6.864 14.039 7.388 1.00 53.33 H new ATOM 0 HD22 ASN A 47 -6.402 12.759 8.515 1.00 53.33 H new ATOM 722 N PRO A 48 -5.889 10.959 11.295 1.00 51.32 N ATOM 723 CA PRO A 48 -6.407 9.650 10.918 1.00 21.42 C ATOM 724 C PRO A 48 -7.692 9.812 10.093 1.00 62.24 C ATOM 725 O PRO A 48 -8.667 10.393 10.563 1.00 51.44 O ATOM 726 CB PRO A 48 -6.674 8.919 12.233 1.00 11.34 C ATOM 727 CG PRO A 48 -6.930 10.050 13.231 1.00 52.50 C ATOM 728 CD PRO A 48 -6.030 11.178 12.726 1.00 73.41 C ATOM 0 HA PRO A 48 -5.707 9.090 10.297 1.00 21.42 H new ATOM 0 HB2 PRO A 48 -7.533 8.253 12.154 1.00 11.34 H new ATOM 0 HB3 PRO A 48 -5.823 8.307 12.531 1.00 11.34 H new ATOM 0 HG2 PRO A 48 -7.979 10.347 13.242 1.00 52.50 H new ATOM 0 HG3 PRO A 48 -6.672 9.755 14.248 1.00 52.50 H new ATOM 0 HD2 PRO A 48 -6.472 12.153 12.931 1.00 73.41 H new ATOM 0 HD3 PRO A 48 -5.060 11.157 13.223 1.00 73.41 H new ATOM 736 N VAL A 49 -7.681 9.323 8.856 1.00 33.52 N ATOM 737 CA VAL A 49 -8.787 9.326 7.926 1.00 72.32 C ATOM 738 C VAL A 49 -8.907 7.982 7.233 1.00 63.43 C ATOM 739 O VAL A 49 -7.924 7.472 6.682 1.00 55.03 O ATOM 740 CB VAL A 49 -8.557 10.488 6.962 1.00 63.51 C ATOM 741 CG1 VAL A 49 -7.134 10.668 6.401 1.00 54.32 C ATOM 742 CG2 VAL A 49 -9.592 10.532 5.834 1.00 21.34 C ATOM 0 H VAL A 49 -6.846 8.890 8.461 1.00 33.52 H new ATOM 0 HA VAL A 49 -9.741 9.471 8.433 1.00 72.32 H new ATOM 0 HB VAL A 49 -8.693 11.348 7.618 1.00 63.51 H new ATOM 0 HG11 VAL A 49 -7.113 11.528 5.732 1.00 54.32 H new ATOM 0 HG12 VAL A 49 -6.437 10.831 7.223 1.00 54.32 H new ATOM 0 HG13 VAL A 49 -6.844 9.773 5.851 1.00 54.32 H new ATOM 0 HG21 VAL A 49 -9.381 11.377 5.179 1.00 21.34 H new ATOM 0 HG22 VAL A 49 -9.544 9.607 5.260 1.00 21.34 H new ATOM 0 HG23 VAL A 49 -10.589 10.643 6.259 1.00 21.34 H new ATOM 752 N LEU A 50 -10.115 7.427 7.203 1.00 40.04 N ATOM 753 CA LEU A 50 -10.339 6.137 6.579 1.00 0.24 C ATOM 754 C LEU A 50 -10.271 6.269 5.065 1.00 34.55 C ATOM 755 O LEU A 50 -10.854 7.162 4.446 1.00 34.33 O ATOM 756 CB LEU A 50 -11.656 5.514 7.054 1.00 35.13 C ATOM 757 CG LEU A 50 -11.928 4.139 6.419 1.00 43.01 C ATOM 758 CD1 LEU A 50 -10.801 3.119 6.655 1.00 72.21 C ATOM 759 CD2 LEU A 50 -13.229 3.643 7.026 1.00 31.31 C ATOM 0 H LEU A 50 -10.950 7.854 7.604 1.00 40.04 H new ATOM 0 HA LEU A 50 -9.547 5.454 6.885 1.00 0.24 H new ATOM 0 HB2 LEU A 50 -11.633 5.410 8.139 1.00 35.13 H new ATOM 0 HB3 LEU A 50 -12.479 6.188 6.816 1.00 35.13 H new ATOM 0 HG LEU A 50 -11.987 4.247 5.336 1.00 43.01 H new ATOM 0 HD11 LEU A 50 -11.061 2.173 6.180 1.00 72.21 H new ATOM 0 HD12 LEU A 50 -9.873 3.497 6.227 1.00 72.21 H new ATOM 0 HD13 LEU A 50 -10.670 2.963 7.726 1.00 72.21 H new ATOM 0 HD21 LEU A 50 -13.475 2.666 6.611 1.00 31.31 H new ATOM 0 HD22 LEU A 50 -13.118 3.561 8.107 1.00 31.31 H new ATOM 0 HD23 LEU A 50 -14.029 4.346 6.796 1.00 31.31 H new ATOM 771 N GLN A 51 -9.546 5.339 4.459 1.00 44.02 N ATOM 772 CA GLN A 51 -9.231 5.287 3.048 1.00 22.11 C ATOM 773 C GLN A 51 -10.067 4.174 2.424 1.00 22.13 C ATOM 774 O GLN A 51 -9.731 2.998 2.542 1.00 32.31 O ATOM 775 CB GLN A 51 -7.716 5.049 2.898 1.00 55.01 C ATOM 776 CG GLN A 51 -6.883 6.132 3.600 1.00 60.30 C ATOM 777 CD GLN A 51 -7.194 7.537 3.089 1.00 13.15 C ATOM 778 OE1 GLN A 51 -7.366 7.752 1.891 1.00 52.23 O ATOM 779 NE2 GLN A 51 -7.311 8.496 3.990 1.00 4.03 N ATOM 0 H GLN A 51 -9.141 4.557 4.974 1.00 44.02 H new ATOM 0 HA GLN A 51 -9.470 6.218 2.533 1.00 22.11 H new ATOM 0 HB2 GLN A 51 -7.461 4.073 3.311 1.00 55.01 H new ATOM 0 HB3 GLN A 51 -7.457 5.024 1.839 1.00 55.01 H new ATOM 0 HG2 GLN A 51 -7.070 6.090 4.673 1.00 60.30 H new ATOM 0 HG3 GLN A 51 -5.824 5.922 3.453 1.00 60.30 H new ATOM 0 HE21 GLN A 51 -7.163 8.289 4.978 1.00 4.03 H new ATOM 0 HE22 GLN A 51 -7.550 9.444 3.698 1.00 4.03 H new ATOM 788 N TYR A 52 -11.188 4.540 1.805 1.00 13.33 N ATOM 789 CA TYR A 52 -12.067 3.621 1.089 1.00 33.45 C ATOM 790 C TYR A 52 -12.137 4.017 -0.386 1.00 52.20 C ATOM 791 O TYR A 52 -11.300 4.815 -0.825 1.00 34.44 O ATOM 792 CB TYR A 52 -13.430 3.539 1.788 1.00 11.25 C ATOM 793 CG TYR A 52 -14.291 4.789 1.825 1.00 43.11 C ATOM 794 CD1 TYR A 52 -14.032 5.788 2.785 1.00 64.13 C ATOM 795 CD2 TYR A 52 -15.432 4.888 1.005 1.00 52.12 C ATOM 796 CE1 TYR A 52 -14.910 6.876 2.934 1.00 75.14 C ATOM 797 CE2 TYR A 52 -16.328 5.960 1.177 1.00 31.31 C ATOM 798 CZ TYR A 52 -16.067 6.964 2.131 1.00 43.32 C ATOM 799 OH TYR A 52 -16.957 7.980 2.287 1.00 23.51 O ATOM 0 H TYR A 52 -11.517 5.505 1.788 1.00 13.33 H new ATOM 0 HA TYR A 52 -11.664 2.608 1.111 1.00 33.45 H new ATOM 0 HB2 TYR A 52 -14.007 2.751 1.303 1.00 11.25 H new ATOM 0 HB3 TYR A 52 -13.259 3.222 2.817 1.00 11.25 H new ATOM 0 HD1 TYR A 52 -13.154 5.717 3.410 1.00 64.13 H new ATOM 0 HD2 TYR A 52 -15.619 4.143 0.246 1.00 52.12 H new ATOM 0 HE1 TYR A 52 -14.699 7.644 3.663 1.00 75.14 H new ATOM 0 HE2 TYR A 52 -17.222 6.013 0.573 1.00 31.31 H new ATOM 0 HH TYR A 52 -17.690 7.874 1.645 1.00 23.51 H new ATOM 809 N GLY A 53 -13.063 3.408 -1.138 1.00 71.14 N ATOM 810 CA GLY A 53 -13.420 3.791 -2.515 1.00 41.41 C ATOM 811 C GLY A 53 -12.196 4.051 -3.393 1.00 74.10 C ATOM 812 O GLY A 53 -11.910 5.193 -3.750 1.00 14.21 O ATOM 0 H GLY A 53 -13.602 2.612 -0.797 1.00 71.14 H new ATOM 0 HA2 GLY A 53 -14.022 3.000 -2.963 1.00 41.41 H new ATOM 0 HA3 GLY A 53 -14.040 4.687 -2.489 1.00 41.41 H new ATOM 816 N LYS A 54 -11.405 3.007 -3.663 1.00 62.30 N ATOM 817 CA LYS A 54 -10.193 3.105 -4.477 1.00 55.32 C ATOM 818 C LYS A 54 -9.785 1.795 -5.147 1.00 2.24 C ATOM 819 O LYS A 54 -8.777 1.843 -5.839 1.00 14.25 O ATOM 820 CB LYS A 54 -9.037 3.693 -3.645 1.00 40.20 C ATOM 821 CG LYS A 54 -8.141 4.678 -4.421 1.00 21.54 C ATOM 822 CD LYS A 54 -8.727 6.078 -4.664 1.00 22.41 C ATOM 823 CE LYS A 54 -8.478 7.100 -3.546 1.00 43.34 C ATOM 824 NZ LYS A 54 -9.346 6.917 -2.364 1.00 13.42 N ATOM 0 H LYS A 54 -11.591 2.065 -3.320 1.00 62.30 H new ATOM 0 HA LYS A 54 -10.429 3.783 -5.297 1.00 55.32 H new ATOM 0 HB2 LYS A 54 -9.452 4.203 -2.776 1.00 40.20 H new ATOM 0 HB3 LYS A 54 -8.421 2.876 -3.270 1.00 40.20 H new ATOM 0 HG2 LYS A 54 -7.202 4.789 -3.878 1.00 21.54 H new ATOM 0 HG3 LYS A 54 -7.900 4.235 -5.387 1.00 21.54 H new ATOM 0 HD2 LYS A 54 -8.311 6.471 -5.592 1.00 22.41 H new ATOM 0 HD3 LYS A 54 -9.803 5.982 -4.812 1.00 22.41 H new ATOM 0 HE2 LYS A 54 -7.436 7.035 -3.233 1.00 43.34 H new ATOM 0 HE3 LYS A 54 -8.629 8.103 -3.944 1.00 43.34 H new ATOM 0 HZ1 LYS A 54 -9.637 7.847 -2.000 1.00 13.42 H new ATOM 0 HZ2 LYS A 54 -10.189 6.372 -2.634 1.00 13.42 H new ATOM 0 HZ3 LYS A 54 -8.823 6.404 -1.626 1.00 13.42 H new ATOM 838 N LEU A 55 -10.495 0.664 -5.021 1.00 73.43 N ATOM 839 CA LEU A 55 -10.029 -0.664 -5.473 1.00 12.11 C ATOM 840 C LEU A 55 -9.600 -0.730 -6.940 1.00 3.02 C ATOM 841 O LEU A 55 -8.867 -1.636 -7.324 1.00 3.15 O ATOM 842 CB LEU A 55 -11.120 -1.735 -5.264 1.00 74.40 C ATOM 843 CG LEU A 55 -10.816 -2.735 -4.141 1.00 42.20 C ATOM 844 CD1 LEU A 55 -12.022 -3.659 -3.953 1.00 35.34 C ATOM 845 CD2 LEU A 55 -9.577 -3.595 -4.389 1.00 43.32 C ATOM 0 H LEU A 55 -11.422 0.641 -4.597 1.00 73.43 H new ATOM 0 HA LEU A 55 -9.149 -0.855 -4.859 1.00 12.11 H new ATOM 0 HB2 LEU A 55 -12.064 -1.237 -5.045 1.00 74.40 H new ATOM 0 HB3 LEU A 55 -11.257 -2.284 -6.196 1.00 74.40 H new ATOM 0 HG LEU A 55 -10.613 -2.141 -3.250 1.00 42.20 H new ATOM 0 HD11 LEU A 55 -11.813 -4.373 -3.156 1.00 35.34 H new ATOM 0 HD12 LEU A 55 -12.897 -3.066 -3.688 1.00 35.34 H new ATOM 0 HD13 LEU A 55 -12.216 -4.198 -4.881 1.00 35.34 H new ATOM 0 HD21 LEU A 55 -9.432 -4.275 -3.549 1.00 43.32 H new ATOM 0 HD22 LEU A 55 -9.712 -4.172 -5.304 1.00 43.32 H new ATOM 0 HD23 LEU A 55 -8.703 -2.952 -4.491 1.00 43.32 H new ATOM 857 N ASN A 56 -10.046 0.210 -7.770 1.00 21.25 N ATOM 858 CA ASN A 56 -9.685 0.258 -9.183 1.00 22.44 C ATOM 859 C ASN A 56 -8.258 0.784 -9.391 1.00 73.51 C ATOM 860 O ASN A 56 -7.788 0.840 -10.531 1.00 61.51 O ATOM 861 CB ASN A 56 -10.695 1.114 -9.953 1.00 22.22 C ATOM 862 CG ASN A 56 -12.154 0.866 -9.589 1.00 4.01 C ATOM 863 OD1 ASN A 56 -12.919 1.821 -9.567 1.00 4.14 O ATOM 864 ND2 ASN A 56 -12.589 -0.344 -9.257 1.00 32.53 N ATOM 0 H ASN A 56 -10.670 0.962 -7.479 1.00 21.25 H new ATOM 0 HA ASN A 56 -9.712 -0.761 -9.570 1.00 22.44 H new ATOM 0 HB2 ASN A 56 -10.466 2.165 -9.779 1.00 22.22 H new ATOM 0 HB3 ASN A 56 -10.566 0.932 -11.020 1.00 22.22 H new ATOM 0 HD21 ASN A 56 -13.562 -0.479 -8.983 1.00 32.53 H new ATOM 0 HD22 ASN A 56 -11.950 -1.139 -9.276 1.00 32.53 H new ATOM 871 N VAL A 57 -7.584 1.197 -8.315 1.00 55.40 N ATOM 872 CA VAL A 57 -6.196 1.623 -8.272 1.00 1.34 C ATOM 873 C VAL A 57 -5.314 0.550 -8.885 1.00 20.25 C ATOM 874 O VAL A 57 -5.596 -0.651 -8.758 1.00 43.03 O ATOM 875 CB VAL A 57 -5.806 1.946 -6.807 1.00 20.44 C ATOM 876 CG1 VAL A 57 -5.916 0.762 -5.827 1.00 14.35 C ATOM 877 CG2 VAL A 57 -4.385 2.504 -6.697 1.00 55.20 C ATOM 0 H VAL A 57 -8.027 1.243 -7.397 1.00 55.40 H new ATOM 0 HA VAL A 57 -6.055 2.531 -8.859 1.00 1.34 H new ATOM 0 HB VAL A 57 -6.545 2.693 -6.517 1.00 20.44 H new ATOM 0 HG11 VAL A 57 -5.622 1.087 -4.829 1.00 14.35 H new ATOM 0 HG12 VAL A 57 -6.945 0.403 -5.804 1.00 14.35 H new ATOM 0 HG13 VAL A 57 -5.258 -0.043 -6.154 1.00 14.35 H new ATOM 0 HG21 VAL A 57 -4.157 2.715 -5.652 1.00 55.20 H new ATOM 0 HG22 VAL A 57 -3.676 1.772 -7.082 1.00 55.20 H new ATOM 0 HG23 VAL A 57 -4.309 3.423 -7.278 1.00 55.20 H new ATOM 887 N GLY A 58 -4.219 0.974 -9.502 1.00 62.53 N ATOM 888 CA GLY A 58 -3.148 0.074 -9.836 1.00 64.30 C ATOM 889 C GLY A 58 -1.800 0.743 -9.670 1.00 14.52 C ATOM 890 O GLY A 58 -1.664 1.965 -9.583 1.00 74.23 O ATOM 0 H GLY A 58 -4.059 1.943 -9.778 1.00 62.53 H new ATOM 0 HA2 GLY A 58 -3.200 -0.809 -9.199 1.00 64.30 H new ATOM 0 HA3 GLY A 58 -3.264 -0.267 -10.865 1.00 64.30 H new ATOM 894 N LEU A 59 -0.781 -0.103 -9.630 1.00 54.52 N ATOM 895 CA LEU A 59 0.600 0.325 -9.592 1.00 34.22 C ATOM 896 C LEU A 59 0.990 0.851 -10.972 1.00 72.24 C ATOM 897 O LEU A 59 0.506 0.365 -11.999 1.00 0.51 O ATOM 898 CB LEU A 59 1.474 -0.884 -9.211 1.00 21.05 C ATOM 899 CG LEU A 59 2.519 -0.670 -8.113 1.00 71.14 C ATOM 900 CD1 LEU A 59 3.545 0.347 -8.569 1.00 41.10 C ATOM 901 CD2 LEU A 59 1.946 -0.178 -6.796 1.00 60.31 C ATOM 0 H LEU A 59 -0.897 -1.116 -9.623 1.00 54.52 H new ATOM 0 HA LEU A 59 0.742 1.118 -8.858 1.00 34.22 H new ATOM 0 HB2 LEU A 59 0.814 -1.693 -8.897 1.00 21.05 H new ATOM 0 HB3 LEU A 59 1.991 -1.224 -10.108 1.00 21.05 H new ATOM 0 HG LEU A 59 2.958 -1.652 -7.940 1.00 71.14 H new ATOM 0 HD11 LEU A 59 4.285 0.494 -7.783 1.00 41.10 H new ATOM 0 HD12 LEU A 59 4.040 -0.014 -9.470 1.00 41.10 H new ATOM 0 HD13 LEU A 59 3.049 1.294 -8.782 1.00 41.10 H new ATOM 0 HD21 LEU A 59 2.752 -0.052 -6.073 1.00 60.31 H new ATOM 0 HD22 LEU A 59 1.445 0.778 -6.951 1.00 60.31 H new ATOM 0 HD23 LEU A 59 1.229 -0.906 -6.417 1.00 60.31 H new ATOM 913 N VAL A 60 1.940 1.777 -10.984 1.00 11.45 N ATOM 914 CA VAL A 60 2.588 2.310 -12.168 1.00 35.45 C ATOM 915 C VAL A 60 4.111 2.209 -12.060 1.00 34.13 C ATOM 916 O VAL A 60 4.752 1.975 -13.083 1.00 74.21 O ATOM 917 CB VAL A 60 2.118 3.746 -12.457 1.00 62.14 C ATOM 918 CG1 VAL A 60 0.840 3.731 -13.297 1.00 31.41 C ATOM 919 CG2 VAL A 60 1.838 4.592 -11.220 1.00 32.01 C ATOM 0 H VAL A 60 2.295 2.195 -10.124 1.00 11.45 H new ATOM 0 HA VAL A 60 2.291 1.699 -13.021 1.00 35.45 H new ATOM 0 HB VAL A 60 2.956 4.202 -12.985 1.00 62.14 H new ATOM 0 HG11 VAL A 60 0.521 4.755 -13.492 1.00 31.41 H new ATOM 0 HG12 VAL A 60 1.032 3.224 -14.243 1.00 31.41 H new ATOM 0 HG13 VAL A 60 0.055 3.203 -12.755 1.00 31.41 H new ATOM 0 HG21 VAL A 60 1.513 5.587 -11.525 1.00 32.01 H new ATOM 0 HG22 VAL A 60 1.055 4.120 -10.626 1.00 32.01 H new ATOM 0 HG23 VAL A 60 2.746 4.675 -10.623 1.00 32.01 H new ATOM 929 N GLY A 61 4.688 2.323 -10.861 1.00 35.32 N ATOM 930 CA GLY A 61 6.136 2.306 -10.642 1.00 4.45 C ATOM 931 C GLY A 61 6.540 1.970 -9.199 1.00 55.52 C ATOM 932 O GLY A 61 5.894 2.407 -8.249 1.00 41.10 O ATOM 0 H GLY A 61 4.152 2.432 -10.000 1.00 35.32 H new ATOM 0 HA2 GLY A 61 6.587 1.577 -11.315 1.00 4.45 H new ATOM 0 HA3 GLY A 61 6.546 3.281 -10.907 1.00 4.45 H new ATOM 936 N VAL A 62 7.629 1.218 -9.019 1.00 44.20 N ATOM 937 CA VAL A 62 8.305 1.009 -7.738 1.00 51.11 C ATOM 938 C VAL A 62 9.800 0.956 -8.066 1.00 43.43 C ATOM 939 O VAL A 62 10.275 0.044 -8.754 1.00 24.22 O ATOM 940 CB VAL A 62 7.855 -0.281 -7.020 1.00 32.03 C ATOM 941 CG1 VAL A 62 8.448 -0.483 -5.632 1.00 43.32 C ATOM 942 CG2 VAL A 62 6.347 -0.461 -6.845 1.00 75.30 C ATOM 0 H VAL A 62 8.079 0.721 -9.788 1.00 44.20 H new ATOM 0 HA VAL A 62 8.058 1.815 -7.047 1.00 51.11 H new ATOM 0 HB VAL A 62 8.239 -1.018 -7.726 1.00 32.03 H new ATOM 0 HG11 VAL A 62 8.073 -1.415 -5.208 1.00 43.32 H new ATOM 0 HG12 VAL A 62 9.535 -0.528 -5.704 1.00 43.32 H new ATOM 0 HG13 VAL A 62 8.161 0.349 -4.989 1.00 43.32 H new ATOM 0 HG21 VAL A 62 6.150 -1.401 -6.329 1.00 75.30 H new ATOM 0 HG22 VAL A 62 5.948 0.366 -6.258 1.00 75.30 H new ATOM 0 HG23 VAL A 62 5.867 -0.477 -7.823 1.00 75.30 H new ATOM 952 N GLU A 63 10.527 1.954 -7.581 1.00 61.01 N ATOM 953 CA GLU A 63 11.956 2.182 -7.730 1.00 62.23 C ATOM 954 C GLU A 63 12.505 2.944 -6.513 1.00 32.12 C ATOM 955 O GLU A 63 11.751 3.641 -5.837 1.00 33.31 O ATOM 956 CB GLU A 63 12.199 2.992 -9.018 1.00 20.44 C ATOM 957 CG GLU A 63 12.254 2.039 -10.222 1.00 64.13 C ATOM 958 CD GLU A 63 13.101 2.538 -11.394 1.00 40.44 C ATOM 959 OE1 GLU A 63 12.859 3.659 -11.892 1.00 35.02 O ATOM 960 OE2 GLU A 63 13.967 1.783 -11.890 1.00 61.02 O ATOM 0 H GLU A 63 10.091 2.689 -7.024 1.00 61.01 H new ATOM 0 HA GLU A 63 12.473 1.225 -7.794 1.00 62.23 H new ATOM 0 HB2 GLU A 63 11.402 3.723 -9.156 1.00 20.44 H new ATOM 0 HB3 GLU A 63 13.133 3.549 -8.939 1.00 20.44 H new ATOM 0 HG2 GLU A 63 12.648 1.078 -9.890 1.00 64.13 H new ATOM 0 HG3 GLU A 63 11.238 1.862 -10.575 1.00 64.13 H new ATOM 967 N PRO A 64 13.810 2.846 -6.227 1.00 22.24 N ATOM 968 CA PRO A 64 14.468 3.496 -5.097 1.00 31.13 C ATOM 969 C PRO A 64 14.498 5.012 -5.289 1.00 24.05 C ATOM 970 O PRO A 64 15.168 5.506 -6.195 1.00 24.01 O ATOM 971 CB PRO A 64 15.869 2.885 -5.046 1.00 64.11 C ATOM 972 CG PRO A 64 16.139 2.528 -6.507 1.00 3.11 C ATOM 973 CD PRO A 64 14.772 2.111 -7.027 1.00 0.32 C ATOM 0 HA PRO A 64 13.941 3.336 -4.156 1.00 31.13 H new ATOM 0 HB2 PRO A 64 16.604 3.591 -4.660 1.00 64.11 H new ATOM 0 HB3 PRO A 64 15.903 2.006 -4.402 1.00 64.11 H new ATOM 0 HG2 PRO A 64 16.537 3.378 -7.061 1.00 3.11 H new ATOM 0 HG3 PRO A 64 16.866 1.721 -6.596 1.00 3.11 H new ATOM 0 HD2 PRO A 64 14.666 2.350 -8.085 1.00 0.32 H new ATOM 0 HD3 PRO A 64 14.626 1.036 -6.926 1.00 0.32 H new ATOM 981 N ALA A 65 13.791 5.762 -4.437 1.00 73.34 N ATOM 982 CA ALA A 65 13.908 7.214 -4.405 1.00 52.53 C ATOM 983 C ALA A 65 15.197 7.605 -3.664 1.00 34.20 C ATOM 984 O ALA A 65 15.170 8.083 -2.526 1.00 54.31 O ATOM 985 CB ALA A 65 12.649 7.865 -3.815 1.00 3.51 C ATOM 0 H ALA A 65 13.131 5.380 -3.760 1.00 73.34 H new ATOM 0 HA ALA A 65 13.983 7.597 -5.423 1.00 52.53 H new ATOM 0 HB1 ALA A 65 12.770 8.948 -3.806 1.00 3.51 H new ATOM 0 HB2 ALA A 65 11.784 7.601 -4.423 1.00 3.51 H new ATOM 0 HB3 ALA A 65 12.498 7.508 -2.796 1.00 3.51 H new ATOM 991 N GLY A 66 16.337 7.422 -4.324 1.00 40.41 N ATOM 992 CA GLY A 66 17.638 7.893 -3.886 1.00 61.41 C ATOM 993 C GLY A 66 18.397 6.795 -3.172 1.00 20.04 C ATOM 994 O GLY A 66 18.785 5.807 -3.804 1.00 20.44 O ATOM 0 H GLY A 66 16.376 6.922 -5.212 1.00 40.41 H new ATOM 0 HA2 GLY A 66 18.213 8.238 -4.745 1.00 61.41 H new ATOM 0 HA3 GLY A 66 17.515 8.748 -3.221 1.00 61.41 H new ATOM 998 N GLN A 67 18.636 7.002 -1.874 1.00 73.04 N ATOM 999 CA GLN A 67 19.418 6.101 -1.031 1.00 3.11 C ATOM 1000 C GLN A 67 18.696 5.761 0.281 1.00 43.35 C ATOM 1001 O GLN A 67 19.181 4.945 1.066 1.00 33.41 O ATOM 1002 CB GLN A 67 20.802 6.726 -0.780 1.00 15.53 C ATOM 1003 CG GLN A 67 21.471 7.122 -2.108 1.00 71.25 C ATOM 1004 CD GLN A 67 22.955 7.435 -1.996 1.00 52.31 C ATOM 1005 OE1 GLN A 67 23.657 6.925 -1.128 1.00 13.33 O ATOM 1006 NE2 GLN A 67 23.451 8.293 -2.867 1.00 40.24 N ATOM 0 H GLN A 67 18.283 7.817 -1.373 1.00 73.04 H new ATOM 0 HA GLN A 67 19.544 5.152 -1.552 1.00 3.11 H new ATOM 0 HB2 GLN A 67 20.699 7.605 -0.143 1.00 15.53 H new ATOM 0 HB3 GLN A 67 21.435 6.017 -0.246 1.00 15.53 H new ATOM 0 HG2 GLN A 67 21.336 6.312 -2.824 1.00 71.25 H new ATOM 0 HG3 GLN A 67 20.958 7.994 -2.513 1.00 71.25 H new ATOM 0 HE21 GLN A 67 22.847 8.703 -3.579 1.00 40.24 H new ATOM 0 HE22 GLN A 67 24.438 8.546 -2.828 1.00 40.24 H new ATOM 1015 N TYR A 68 17.538 6.370 0.545 1.00 40.31 N ATOM 1016 CA TYR A 68 16.861 6.334 1.843 1.00 61.35 C ATOM 1017 C TYR A 68 15.342 6.232 1.744 1.00 52.33 C ATOM 1018 O TYR A 68 14.697 6.148 2.790 1.00 2.54 O ATOM 1019 CB TYR A 68 17.253 7.557 2.685 1.00 1.11 C ATOM 1020 CG TYR A 68 17.362 8.868 1.931 1.00 61.32 C ATOM 1021 CD1 TYR A 68 16.233 9.692 1.785 1.00 55.13 C ATOM 1022 CD2 TYR A 68 18.596 9.260 1.375 1.00 64.01 C ATOM 1023 CE1 TYR A 68 16.334 10.889 1.059 1.00 2.42 C ATOM 1024 CE2 TYR A 68 18.694 10.446 0.627 1.00 54.42 C ATOM 1025 CZ TYR A 68 17.553 11.261 0.453 1.00 40.13 C ATOM 1026 OH TYR A 68 17.616 12.403 -0.279 1.00 64.01 O ATOM 0 H TYR A 68 17.033 6.915 -0.154 1.00 40.31 H new ATOM 0 HA TYR A 68 17.198 5.420 2.332 1.00 61.35 H new ATOM 0 HB2 TYR A 68 16.518 7.677 3.481 1.00 1.11 H new ATOM 0 HB3 TYR A 68 18.211 7.354 3.163 1.00 1.11 H new ATOM 0 HD1 TYR A 68 15.291 9.405 2.230 1.00 55.13 H new ATOM 0 HD2 TYR A 68 19.472 8.646 1.524 1.00 64.01 H new ATOM 0 HE1 TYR A 68 15.471 11.531 0.963 1.00 2.42 H new ATOM 0 HE2 TYR A 68 19.638 10.733 0.187 1.00 54.42 H new ATOM 0 HH TYR A 68 18.524 12.518 -0.628 1.00 64.01 H new ATOM 1036 N ALA A 69 14.759 6.273 0.547 1.00 72.31 N ATOM 1037 CA ALA A 69 13.314 6.260 0.388 1.00 75.34 C ATOM 1038 C ALA A 69 12.932 5.475 -0.874 1.00 4.43 C ATOM 1039 O ALA A 69 13.799 4.986 -1.604 1.00 63.44 O ATOM 1040 CB ALA A 69 12.775 7.704 0.418 1.00 53.51 C ATOM 0 H ALA A 69 15.275 6.316 -0.332 1.00 72.31 H new ATOM 0 HA ALA A 69 12.840 5.739 1.220 1.00 75.34 H new ATOM 0 HB1 ALA A 69 11.692 7.691 0.299 1.00 53.51 H new ATOM 0 HB2 ALA A 69 13.029 8.168 1.371 1.00 53.51 H new ATOM 0 HB3 ALA A 69 13.223 8.276 -0.395 1.00 53.51 H new ATOM 1046 N LEU A 70 11.645 5.334 -1.157 1.00 35.04 N ATOM 1047 CA LEU A 70 11.138 4.538 -2.269 1.00 41.31 C ATOM 1048 C LEU A 70 10.073 5.341 -3.022 1.00 22.21 C ATOM 1049 O LEU A 70 9.049 5.705 -2.462 1.00 54.24 O ATOM 1050 CB LEU A 70 10.596 3.224 -1.697 1.00 63.22 C ATOM 1051 CG LEU A 70 10.303 2.096 -2.691 1.00 22.24 C ATOM 1052 CD1 LEU A 70 9.358 2.517 -3.801 1.00 64.12 C ATOM 1053 CD2 LEU A 70 11.580 1.508 -3.288 1.00 35.32 C ATOM 0 H LEU A 70 10.908 5.778 -0.610 1.00 35.04 H new ATOM 0 HA LEU A 70 11.922 4.301 -2.989 1.00 41.31 H new ATOM 0 HB2 LEU A 70 11.314 2.852 -0.966 1.00 63.22 H new ATOM 0 HB3 LEU A 70 9.676 3.445 -1.156 1.00 63.22 H new ATOM 0 HG LEU A 70 9.805 1.321 -2.108 1.00 22.24 H new ATOM 0 HD11 LEU A 70 9.189 1.676 -4.473 1.00 64.12 H new ATOM 0 HD12 LEU A 70 8.408 2.834 -3.370 1.00 64.12 H new ATOM 0 HD13 LEU A 70 9.797 3.344 -4.359 1.00 64.12 H new ATOM 0 HD21 LEU A 70 11.322 0.712 -3.987 1.00 35.32 H new ATOM 0 HD22 LEU A 70 12.129 2.289 -3.814 1.00 35.32 H new ATOM 0 HD23 LEU A 70 12.202 1.103 -2.490 1.00 35.32 H new ATOM 1065 N LYS A 71 10.281 5.577 -4.319 1.00 35.42 N ATOM 1066 CA LYS A 71 9.474 6.497 -5.117 1.00 20.02 C ATOM 1067 C LYS A 71 7.974 6.230 -5.110 1.00 31.13 C ATOM 1068 O LYS A 71 7.203 7.166 -5.293 1.00 71.40 O ATOM 1069 CB LYS A 71 9.915 6.467 -6.578 1.00 32.11 C ATOM 1070 CG LYS A 71 11.361 6.742 -6.931 1.00 14.31 C ATOM 1071 CD LYS A 71 11.595 6.836 -8.442 1.00 43.54 C ATOM 1072 CE LYS A 71 11.110 8.125 -9.142 1.00 42.44 C ATOM 1073 NZ LYS A 71 9.639 8.236 -9.312 1.00 33.43 N ATOM 0 H LYS A 71 11.026 5.127 -4.850 1.00 35.42 H new ATOM 0 HA LYS A 71 9.642 7.463 -4.641 1.00 20.02 H new ATOM 0 HB2 LYS A 71 9.665 5.483 -6.973 1.00 32.11 H new ATOM 0 HB3 LYS A 71 9.305 7.192 -7.117 1.00 32.11 H new ATOM 0 HG2 LYS A 71 11.674 7.674 -6.461 1.00 14.31 H new ATOM 0 HG3 LYS A 71 11.988 5.951 -6.519 1.00 14.31 H new ATOM 0 HD2 LYS A 71 12.664 6.730 -8.628 1.00 43.54 H new ATOM 0 HD3 LYS A 71 11.103 5.986 -8.916 1.00 43.54 H new ATOM 0 HE2 LYS A 71 11.459 8.984 -8.569 1.00 42.44 H new ATOM 0 HE3 LYS A 71 11.579 8.185 -10.124 1.00 42.44 H new ATOM 0 HZ1 LYS A 71 9.429 8.717 -10.210 1.00 33.43 H new ATOM 0 HZ2 LYS A 71 9.218 7.285 -9.322 1.00 33.43 H new ATOM 0 HZ3 LYS A 71 9.239 8.783 -8.523 1.00 33.43 H new ATOM 1087 N LEU A 72 7.610 4.950 -5.043 1.00 4.12 N ATOM 1088 CA LEU A 72 6.307 4.365 -4.772 1.00 72.03 C ATOM 1089 C LEU A 72 5.184 5.087 -5.512 1.00 31.32 C ATOM 1090 O LEU A 72 4.612 6.062 -5.019 1.00 4.31 O ATOM 1091 CB LEU A 72 6.058 4.175 -3.271 1.00 72.21 C ATOM 1092 CG LEU A 72 5.399 2.856 -2.906 1.00 1.35 C ATOM 1093 CD1 LEU A 72 6.039 1.525 -3.345 1.00 0.51 C ATOM 1094 CD2 LEU A 72 5.161 2.746 -1.412 1.00 40.23 C ATOM 0 H LEU A 72 8.305 4.219 -5.196 1.00 4.12 H new ATOM 0 HA LEU A 72 6.309 3.356 -5.185 1.00 72.03 H new ATOM 0 HB2 LEU A 72 7.010 4.249 -2.745 1.00 72.21 H new ATOM 0 HB3 LEU A 72 5.431 4.992 -2.913 1.00 72.21 H new ATOM 0 HG LEU A 72 4.494 2.945 -3.507 1.00 1.35 H new ATOM 0 HD11 LEU A 72 5.428 0.694 -2.994 1.00 0.51 H new ATOM 0 HD12 LEU A 72 6.104 1.494 -4.433 1.00 0.51 H new ATOM 0 HD13 LEU A 72 7.039 1.445 -2.920 1.00 0.51 H new ATOM 0 HD21 LEU A 72 4.688 1.790 -1.188 1.00 40.23 H new ATOM 0 HD22 LEU A 72 6.113 2.812 -0.886 1.00 40.23 H new ATOM 0 HD23 LEU A 72 4.510 3.557 -1.087 1.00 40.23 H new ATOM 1106 N SER A 73 4.877 4.606 -6.703 1.00 13.53 N ATOM 1107 CA SER A 73 4.163 5.365 -7.715 1.00 75.21 C ATOM 1108 C SER A 73 2.873 4.618 -7.990 1.00 43.53 C ATOM 1109 O SER A 73 2.887 3.569 -8.640 1.00 61.34 O ATOM 1110 CB SER A 73 5.037 5.535 -8.962 1.00 71.14 C ATOM 1111 OG SER A 73 6.338 5.961 -8.605 1.00 22.45 O ATOM 0 H SER A 73 5.121 3.661 -7.000 1.00 13.53 H new ATOM 0 HA SER A 73 3.927 6.376 -7.381 1.00 75.21 H new ATOM 0 HB2 SER A 73 5.094 4.591 -9.504 1.00 71.14 H new ATOM 0 HB3 SER A 73 4.582 6.262 -9.635 1.00 71.14 H new ATOM 0 HG SER A 73 6.882 6.063 -9.414 1.00 22.45 H new ATOM 1117 N PHE A 74 1.771 5.095 -7.419 1.00 44.51 N ATOM 1118 CA PHE A 74 0.470 4.462 -7.543 1.00 73.01 C ATOM 1119 C PHE A 74 -0.396 5.416 -8.342 1.00 13.32 C ATOM 1120 O PHE A 74 -0.316 6.633 -8.138 1.00 22.34 O ATOM 1121 CB PHE A 74 -0.156 4.186 -6.172 1.00 32.12 C ATOM 1122 CG PHE A 74 0.485 3.116 -5.310 1.00 42.12 C ATOM 1123 CD1 PHE A 74 1.884 2.964 -5.186 1.00 71.22 C ATOM 1124 CD2 PHE A 74 -0.361 2.256 -4.594 1.00 52.52 C ATOM 1125 CE1 PHE A 74 2.426 1.885 -4.479 1.00 2.22 C ATOM 1126 CE2 PHE A 74 0.187 1.219 -3.833 1.00 61.23 C ATOM 1127 CZ PHE A 74 1.576 0.998 -3.811 1.00 63.03 C ATOM 0 H PHE A 74 1.760 5.942 -6.851 1.00 44.51 H new ATOM 0 HA PHE A 74 0.562 3.495 -8.038 1.00 73.01 H new ATOM 0 HB2 PHE A 74 -0.153 5.118 -5.608 1.00 32.12 H new ATOM 0 HB3 PHE A 74 -1.199 3.911 -6.328 1.00 32.12 H new ATOM 0 HD1 PHE A 74 2.542 3.689 -5.642 1.00 71.22 H new ATOM 0 HD2 PHE A 74 -1.431 2.394 -4.630 1.00 52.52 H new ATOM 0 HE1 PHE A 74 3.496 1.738 -4.449 1.00 2.22 H new ATOM 0 HE2 PHE A 74 -0.464 0.580 -3.255 1.00 61.23 H new ATOM 0 HZ PHE A 74 1.983 0.149 -3.282 1.00 63.03 H new ATOM 1137 N ASP A 75 -1.213 4.873 -9.244 1.00 15.34 N ATOM 1138 CA ASP A 75 -2.010 5.688 -10.164 1.00 62.44 C ATOM 1139 C ASP A 75 -3.122 6.473 -9.451 1.00 51.23 C ATOM 1140 O ASP A 75 -3.675 7.403 -10.045 1.00 0.11 O ATOM 1141 CB ASP A 75 -2.511 4.855 -11.360 1.00 15.45 C ATOM 1142 CG ASP A 75 -3.972 4.408 -11.285 1.00 12.15 C ATOM 1143 OD1 ASP A 75 -4.369 3.742 -10.307 1.00 63.32 O ATOM 1144 OD2 ASP A 75 -4.691 4.633 -12.290 1.00 33.35 O ATOM 0 H ASP A 75 -1.341 3.868 -9.358 1.00 15.34 H new ATOM 0 HA ASP A 75 -1.352 6.453 -10.576 1.00 62.44 H new ATOM 0 HB2 ASP A 75 -2.374 5.439 -12.270 1.00 15.45 H new ATOM 0 HB3 ASP A 75 -1.882 3.969 -11.452 1.00 15.45 H new ATOM 1149 N ASP A 76 -3.373 6.179 -8.167 1.00 64.20 N ATOM 1150 CA ASP A 76 -4.169 6.989 -7.238 1.00 2.01 C ATOM 1151 C ASP A 76 -3.524 8.335 -6.866 1.00 24.44 C ATOM 1152 O ASP A 76 -4.194 9.170 -6.256 1.00 11.42 O ATOM 1153 CB ASP A 76 -4.533 6.200 -5.971 1.00 2.21 C ATOM 1154 CG ASP A 76 -3.357 5.949 -5.021 1.00 53.43 C ATOM 1155 OD1 ASP A 76 -2.958 6.881 -4.291 1.00 11.25 O ATOM 1156 OD2 ASP A 76 -2.968 4.774 -4.883 1.00 62.04 O ATOM 0 H ASP A 76 -3.010 5.332 -7.730 1.00 64.20 H new ATOM 0 HA ASP A 76 -5.082 7.229 -7.784 1.00 2.01 H new ATOM 0 HB2 ASP A 76 -5.311 6.741 -5.432 1.00 2.21 H new ATOM 0 HB3 ASP A 76 -4.958 5.240 -6.265 1.00 2.21 H new ATOM 1161 N GLY A 77 -2.279 8.592 -7.278 1.00 71.33 N ATOM 1162 CA GLY A 77 -1.711 9.931 -7.290 1.00 2.35 C ATOM 1163 C GLY A 77 -1.057 10.343 -5.971 1.00 0.43 C ATOM 1164 O GLY A 77 -0.943 9.541 -5.040 1.00 42.30 O ATOM 0 H GLY A 77 -1.640 7.871 -7.612 1.00 71.33 H new ATOM 0 HA2 GLY A 77 -0.969 9.992 -8.086 1.00 2.35 H new ATOM 0 HA3 GLY A 77 -2.498 10.646 -7.532 1.00 2.35 H new ATOM 1168 N HIS A 78 -0.603 11.602 -5.910 1.00 32.35 N ATOM 1169 CA HIS A 78 0.248 12.169 -4.860 1.00 41.43 C ATOM 1170 C HIS A 78 1.464 11.259 -4.638 1.00 44.43 C ATOM 1171 O HIS A 78 1.521 10.515 -3.658 1.00 63.14 O ATOM 1172 CB HIS A 78 -0.592 12.426 -3.593 1.00 73.00 C ATOM 1173 CG HIS A 78 0.088 13.121 -2.437 1.00 22.04 C ATOM 1174 ND1 HIS A 78 -0.436 13.218 -1.166 1.00 42.13 N ATOM 1175 CD2 HIS A 78 1.288 13.785 -2.444 1.00 74.24 C ATOM 1176 CE1 HIS A 78 0.424 13.936 -0.431 1.00 72.24 C ATOM 1177 NE2 HIS A 78 1.503 14.280 -1.152 1.00 1.21 N ATOM 0 H HIS A 78 -0.833 12.287 -6.630 1.00 32.35 H new ATOM 0 HA HIS A 78 0.646 13.139 -5.158 1.00 41.43 H new ATOM 0 HB2 HIS A 78 -1.460 13.020 -3.879 1.00 73.00 H new ATOM 0 HB3 HIS A 78 -0.966 11.466 -3.236 1.00 73.00 H new ATOM 0 HD1 HIS A 78 -1.317 12.817 -0.844 1.00 42.13 H new ATOM 0 HD2 HIS A 78 1.947 13.904 -3.291 1.00 74.24 H new ATOM 0 HE1 HIS A 78 0.270 14.203 0.604 1.00 72.24 H new ATOM 1185 N ASP A 79 2.423 11.287 -5.570 1.00 11.11 N ATOM 1186 CA ASP A 79 3.544 10.347 -5.615 1.00 0.54 C ATOM 1187 C ASP A 79 4.864 11.094 -5.829 1.00 13.12 C ATOM 1188 O ASP A 79 5.002 11.882 -6.771 1.00 15.55 O ATOM 1189 CB ASP A 79 3.303 9.256 -6.672 1.00 63.40 C ATOM 1190 CG ASP A 79 3.642 9.660 -8.104 1.00 51.32 C ATOM 1191 OD1 ASP A 79 2.822 10.342 -8.773 1.00 0.31 O ATOM 1192 OD2 ASP A 79 4.728 9.265 -8.591 1.00 64.41 O ATOM 0 H ASP A 79 2.441 11.974 -6.324 1.00 11.11 H new ATOM 0 HA ASP A 79 3.617 9.839 -4.653 1.00 0.54 H new ATOM 0 HB2 ASP A 79 3.894 8.379 -6.408 1.00 63.40 H new ATOM 0 HB3 ASP A 79 2.255 8.958 -6.633 1.00 63.40 H new ATOM 1197 N SER A 80 5.828 10.884 -4.929 1.00 74.32 N ATOM 1198 CA SER A 80 7.159 11.486 -4.937 1.00 42.21 C ATOM 1199 C SER A 80 8.117 10.635 -4.088 1.00 52.42 C ATOM 1200 O SER A 80 7.772 9.535 -3.650 1.00 0.22 O ATOM 1201 CB SER A 80 7.080 12.943 -4.452 1.00 21.05 C ATOM 1202 OG SER A 80 8.194 13.704 -4.903 1.00 54.11 O ATOM 0 H SER A 80 5.692 10.257 -4.136 1.00 74.32 H new ATOM 0 HA SER A 80 7.554 11.507 -5.953 1.00 42.21 H new ATOM 0 HB2 SER A 80 6.157 13.398 -4.812 1.00 21.05 H new ATOM 0 HB3 SER A 80 7.041 12.963 -3.363 1.00 21.05 H new ATOM 0 HG SER A 80 8.113 14.626 -4.580 1.00 54.11 H new ATOM 1208 N GLY A 81 9.343 11.118 -3.877 1.00 74.23 N ATOM 1209 CA GLY A 81 10.412 10.371 -3.235 1.00 1.13 C ATOM 1210 C GLY A 81 10.267 10.340 -1.719 1.00 73.40 C ATOM 1211 O GLY A 81 10.995 11.035 -1.004 1.00 12.12 O ATOM 0 H GLY A 81 9.620 12.059 -4.156 1.00 74.23 H new ATOM 0 HA2 GLY A 81 10.420 9.350 -3.618 1.00 1.13 H new ATOM 0 HA3 GLY A 81 11.372 10.817 -3.497 1.00 1.13 H new ATOM 1215 N LEU A 82 9.346 9.511 -1.239 1.00 0.52 N ATOM 1216 CA LEU A 82 8.995 9.336 0.162 1.00 13.24 C ATOM 1217 C LEU A 82 9.063 7.852 0.514 1.00 13.23 C ATOM 1218 O LEU A 82 9.711 7.117 -0.214 1.00 2.52 O ATOM 1219 CB LEU A 82 7.636 10.009 0.416 1.00 15.31 C ATOM 1220 CG LEU A 82 7.611 10.937 1.647 1.00 22.22 C ATOM 1221 CD1 LEU A 82 7.775 10.168 2.953 1.00 52.32 C ATOM 1222 CD2 LEU A 82 8.675 12.042 1.594 1.00 64.40 C ATOM 0 H LEU A 82 8.795 8.911 -1.853 1.00 0.52 H new ATOM 0 HA LEU A 82 9.702 9.825 0.832 1.00 13.24 H new ATOM 0 HB2 LEU A 82 7.359 10.586 -0.466 1.00 15.31 H new ATOM 0 HB3 LEU A 82 6.878 9.236 0.542 1.00 15.31 H new ATOM 0 HG LEU A 82 6.626 11.403 1.618 1.00 22.22 H new ATOM 0 HD11 LEU A 82 7.751 10.865 3.791 1.00 52.32 H new ATOM 0 HD12 LEU A 82 6.963 9.448 3.056 1.00 52.32 H new ATOM 0 HD13 LEU A 82 8.729 9.640 2.947 1.00 52.32 H new ATOM 0 HD21 LEU A 82 8.603 12.659 2.489 1.00 64.40 H new ATOM 0 HD22 LEU A 82 9.666 11.591 1.543 1.00 64.40 H new ATOM 0 HD23 LEU A 82 8.512 12.662 0.712 1.00 64.40 H new ATOM 1234 N PHE A 83 8.461 7.416 1.624 1.00 12.41 N ATOM 1235 CA PHE A 83 8.511 6.053 2.149 1.00 51.31 C ATOM 1236 C PHE A 83 9.935 5.651 2.534 1.00 53.41 C ATOM 1237 O PHE A 83 10.706 5.177 1.704 1.00 24.22 O ATOM 1238 CB PHE A 83 7.905 5.038 1.170 1.00 71.32 C ATOM 1239 CG PHE A 83 6.454 5.261 0.834 1.00 75.02 C ATOM 1240 CD1 PHE A 83 6.075 6.112 -0.221 1.00 55.44 C ATOM 1241 CD2 PHE A 83 5.477 4.548 1.545 1.00 63.20 C ATOM 1242 CE1 PHE A 83 4.713 6.326 -0.490 1.00 43.10 C ATOM 1243 CE2 PHE A 83 4.123 4.696 1.222 1.00 62.43 C ATOM 1244 CZ PHE A 83 3.744 5.616 0.237 1.00 54.53 C ATOM 0 H PHE A 83 7.899 8.036 2.208 1.00 12.41 H new ATOM 0 HA PHE A 83 7.902 6.043 3.053 1.00 51.31 H new ATOM 0 HB2 PHE A 83 8.483 5.058 0.246 1.00 71.32 H new ATOM 0 HB3 PHE A 83 8.015 4.039 1.593 1.00 71.32 H new ATOM 0 HD1 PHE A 83 6.829 6.599 -0.822 1.00 55.44 H new ATOM 0 HD2 PHE A 83 5.770 3.883 2.344 1.00 63.20 H new ATOM 0 HE1 PHE A 83 4.413 7.032 -1.251 1.00 43.10 H new ATOM 0 HE2 PHE A 83 3.375 4.104 1.729 1.00 62.43 H new ATOM 0 HZ PHE A 83 2.696 5.781 0.034 1.00 54.53 H new ATOM 1254 N THR A 84 10.307 5.839 3.795 1.00 60.30 N ATOM 1255 CA THR A 84 11.609 5.425 4.296 1.00 73.23 C ATOM 1256 C THR A 84 11.704 3.904 4.465 1.00 71.23 C ATOM 1257 O THR A 84 10.698 3.189 4.531 1.00 53.24 O ATOM 1258 CB THR A 84 11.884 6.154 5.623 1.00 41.22 C ATOM 1259 OG1 THR A 84 10.672 6.321 6.346 1.00 64.04 O ATOM 1260 CG2 THR A 84 12.523 7.512 5.336 1.00 71.20 C ATOM 0 H THR A 84 9.714 6.282 4.497 1.00 60.30 H new ATOM 0 HA THR A 84 12.370 5.697 3.565 1.00 73.23 H new ATOM 0 HB THR A 84 12.569 5.559 6.228 1.00 41.22 H new ATOM 0 HG1 THR A 84 10.265 7.180 6.108 1.00 64.04 H new ATOM 0 HG21 THR A 84 12.718 8.028 6.276 1.00 71.20 H new ATOM 0 HG22 THR A 84 13.461 7.367 4.801 1.00 71.20 H new ATOM 0 HG23 THR A 84 11.846 8.111 4.726 1.00 71.20 H new ATOM 1268 N TRP A 85 12.939 3.405 4.545 1.00 42.21 N ATOM 1269 CA TRP A 85 13.242 1.984 4.479 1.00 20.03 C ATOM 1270 C TRP A 85 12.676 1.180 5.650 1.00 61.20 C ATOM 1271 O TRP A 85 12.168 0.080 5.428 1.00 52.14 O ATOM 1272 CB TRP A 85 14.762 1.820 4.362 1.00 42.50 C ATOM 1273 CG TRP A 85 15.347 2.175 3.023 1.00 24.41 C ATOM 1274 CD1 TRP A 85 16.444 2.940 2.820 1.00 12.11 C ATOM 1275 CD2 TRP A 85 14.875 1.803 1.690 1.00 51.23 C ATOM 1276 NE1 TRP A 85 16.702 3.043 1.466 1.00 63.12 N ATOM 1277 CE2 TRP A 85 15.743 2.392 0.722 1.00 35.21 C ATOM 1278 CE3 TRP A 85 13.794 1.045 1.186 1.00 11.15 C ATOM 1279 CZ2 TRP A 85 15.539 2.233 -0.657 1.00 13.15 C ATOM 1280 CZ3 TRP A 85 13.580 0.902 -0.191 1.00 62.32 C ATOM 1281 CH2 TRP A 85 14.460 1.477 -1.117 1.00 20.04 C ATOM 0 H TRP A 85 13.766 3.991 4.659 1.00 42.21 H new ATOM 0 HA TRP A 85 12.748 1.572 3.599 1.00 20.03 H new ATOM 0 HB2 TRP A 85 15.237 2.439 5.123 1.00 42.50 H new ATOM 0 HB3 TRP A 85 15.017 0.785 4.588 1.00 42.50 H new ATOM 0 HD1 TRP A 85 17.031 3.402 3.600 1.00 12.11 H new ATOM 0 HE1 TRP A 85 17.501 3.538 1.069 1.00 63.12 H new ATOM 0 HE3 TRP A 85 13.118 0.565 1.878 1.00 11.15 H new ATOM 0 HZ2 TRP A 85 16.216 2.695 -1.361 1.00 13.15 H new ATOM 0 HZ3 TRP A 85 12.726 0.342 -0.543 1.00 62.32 H new ATOM 0 HH2 TRP A 85 14.305 1.337 -2.177 1.00 20.04 H new ATOM 1292 N ASP A 86 12.754 1.718 6.871 1.00 23.43 N ATOM 1293 CA ASP A 86 12.246 1.072 8.084 1.00 23.24 C ATOM 1294 C ASP A 86 10.745 0.818 7.919 1.00 71.34 C ATOM 1295 O ASP A 86 10.286 -0.308 8.112 1.00 22.13 O ATOM 1296 CB ASP A 86 12.553 1.949 9.323 1.00 2.51 C ATOM 1297 CG ASP A 86 13.449 1.315 10.403 1.00 3.53 C ATOM 1298 OD1 ASP A 86 13.883 0.146 10.293 1.00 32.41 O ATOM 1299 OD2 ASP A 86 13.763 2.023 11.391 1.00 63.14 O ATOM 0 H ASP A 86 13.179 2.629 7.047 1.00 23.43 H new ATOM 0 HA ASP A 86 12.742 0.114 8.238 1.00 23.24 H new ATOM 0 HB2 ASP A 86 13.028 2.869 8.982 1.00 2.51 H new ATOM 0 HB3 ASP A 86 11.607 2.231 9.785 1.00 2.51 H new ATOM 1304 N TYR A 87 9.999 1.850 7.508 1.00 12.21 N ATOM 1305 CA TYR A 87 8.558 1.810 7.286 1.00 15.21 C ATOM 1306 C TYR A 87 8.182 0.773 6.227 1.00 24.12 C ATOM 1307 O TYR A 87 7.236 0.007 6.399 1.00 14.24 O ATOM 1308 CB TYR A 87 8.093 3.214 6.863 1.00 24.12 C ATOM 1309 CG TYR A 87 6.615 3.364 6.554 1.00 20.24 C ATOM 1310 CD1 TYR A 87 5.661 2.767 7.396 1.00 11.45 C ATOM 1311 CD2 TYR A 87 6.190 4.139 5.455 1.00 61.22 C ATOM 1312 CE1 TYR A 87 4.299 3.047 7.228 1.00 0.54 C ATOM 1313 CE2 TYR A 87 4.819 4.364 5.227 1.00 60.21 C ATOM 1314 CZ TYR A 87 3.876 3.862 6.156 1.00 34.31 C ATOM 1315 OH TYR A 87 2.547 4.116 6.024 1.00 73.13 O ATOM 0 H TYR A 87 10.402 2.767 7.315 1.00 12.21 H new ATOM 0 HA TYR A 87 8.060 1.513 8.209 1.00 15.21 H new ATOM 0 HB2 TYR A 87 8.350 3.914 7.658 1.00 24.12 H new ATOM 0 HB3 TYR A 87 8.660 3.512 5.981 1.00 24.12 H new ATOM 0 HD1 TYR A 87 5.979 2.090 8.175 1.00 11.45 H new ATOM 0 HD2 TYR A 87 6.922 4.563 4.783 1.00 61.22 H new ATOM 0 HE1 TYR A 87 3.574 2.640 7.917 1.00 0.54 H new ATOM 0 HE2 TYR A 87 4.491 4.912 4.356 1.00 60.21 H new ATOM 0 HH TYR A 87 2.307 4.117 5.074 1.00 73.13 H new ATOM 1325 N LEU A 88 8.902 0.749 5.106 1.00 0.32 N ATOM 1326 CA LEU A 88 8.586 -0.154 4.008 1.00 31.33 C ATOM 1327 C LEU A 88 8.721 -1.606 4.450 1.00 41.32 C ATOM 1328 O LEU A 88 7.835 -2.419 4.185 1.00 24.13 O ATOM 1329 CB LEU A 88 9.510 0.135 2.822 1.00 2.14 C ATOM 1330 CG LEU A 88 9.109 1.438 2.117 1.00 72.01 C ATOM 1331 CD1 LEU A 88 10.320 2.040 1.422 1.00 4.44 C ATOM 1332 CD2 LEU A 88 7.988 1.176 1.104 1.00 61.42 C ATOM 0 H LEU A 88 9.710 1.348 4.937 1.00 0.32 H new ATOM 0 HA LEU A 88 7.553 0.010 3.702 1.00 31.33 H new ATOM 0 HB2 LEU A 88 10.541 0.207 3.169 1.00 2.14 H new ATOM 0 HB3 LEU A 88 9.469 -0.693 2.114 1.00 2.14 H new ATOM 0 HG LEU A 88 8.740 2.143 2.861 1.00 72.01 H new ATOM 0 HD11 LEU A 88 10.031 2.965 0.923 1.00 4.44 H new ATOM 0 HD12 LEU A 88 11.094 2.252 2.159 1.00 4.44 H new ATOM 0 HD13 LEU A 88 10.704 1.335 0.685 1.00 4.44 H new ATOM 0 HD21 LEU A 88 7.716 2.110 0.613 1.00 61.42 H new ATOM 0 HD22 LEU A 88 8.332 0.461 0.357 1.00 61.42 H new ATOM 0 HD23 LEU A 88 7.118 0.771 1.621 1.00 61.42 H new ATOM 1344 N TYR A 89 9.843 -1.945 5.084 1.00 23.02 N ATOM 1345 CA TYR A 89 10.091 -3.311 5.506 1.00 35.44 C ATOM 1346 C TYR A 89 9.276 -3.715 6.721 1.00 31.45 C ATOM 1347 O TYR A 89 9.034 -4.908 6.878 1.00 12.53 O ATOM 1348 CB TYR A 89 11.592 -3.532 5.682 1.00 51.12 C ATOM 1349 CG TYR A 89 12.205 -4.098 4.416 1.00 14.14 C ATOM 1350 CD1 TYR A 89 11.677 -5.266 3.832 1.00 12.43 C ATOM 1351 CD2 TYR A 89 13.265 -3.433 3.784 1.00 4.51 C ATOM 1352 CE1 TYR A 89 12.230 -5.776 2.659 1.00 73.22 C ATOM 1353 CE2 TYR A 89 13.875 -3.984 2.643 1.00 32.35 C ATOM 1354 CZ TYR A 89 13.361 -5.175 2.082 1.00 4.33 C ATOM 1355 OH TYR A 89 13.959 -5.772 1.021 1.00 52.54 O ATOM 0 H TYR A 89 10.590 -1.289 5.314 1.00 23.02 H new ATOM 0 HA TYR A 89 9.744 -3.980 4.718 1.00 35.44 H new ATOM 0 HB2 TYR A 89 12.076 -2.589 5.935 1.00 51.12 H new ATOM 0 HB3 TYR A 89 11.769 -4.214 6.513 1.00 51.12 H new ATOM 0 HD1 TYR A 89 10.840 -5.768 4.295 1.00 12.43 H new ATOM 0 HD2 TYR A 89 13.616 -2.490 4.177 1.00 4.51 H new ATOM 0 HE1 TYR A 89 11.785 -6.641 2.189 1.00 73.22 H new ATOM 0 HE2 TYR A 89 14.732 -3.500 2.198 1.00 32.35 H new ATOM 0 HH TYR A 89 14.489 -6.536 1.331 1.00 52.54 H new ATOM 1365 N GLU A 90 8.807 -2.761 7.521 1.00 71.21 N ATOM 1366 CA GLU A 90 7.845 -3.023 8.572 1.00 22.21 C ATOM 1367 C GLU A 90 6.566 -3.565 7.930 1.00 13.25 C ATOM 1368 O GLU A 90 6.127 -4.674 8.236 1.00 0.55 O ATOM 1369 CB GLU A 90 7.604 -1.709 9.340 1.00 62.13 C ATOM 1370 CG GLU A 90 6.466 -1.793 10.359 1.00 11.44 C ATOM 1371 CD GLU A 90 6.216 -0.454 11.059 1.00 15.54 C ATOM 1372 OE1 GLU A 90 5.799 0.523 10.393 1.00 75.02 O ATOM 1373 OE2 GLU A 90 6.373 -0.388 12.299 1.00 31.11 O ATOM 0 H GLU A 90 9.089 -1.783 7.453 1.00 71.21 H new ATOM 0 HA GLU A 90 8.205 -3.768 9.281 1.00 22.21 H new ATOM 0 HB2 GLU A 90 8.522 -1.426 9.856 1.00 62.13 H new ATOM 0 HB3 GLU A 90 7.383 -0.916 8.626 1.00 62.13 H new ATOM 0 HG2 GLU A 90 5.554 -2.114 9.856 1.00 11.44 H new ATOM 0 HG3 GLU A 90 6.703 -2.552 11.104 1.00 11.44 H new ATOM 1380 N LEU A 91 5.978 -2.793 7.010 1.00 42.11 N ATOM 1381 CA LEU A 91 4.698 -3.119 6.386 1.00 22.44 C ATOM 1382 C LEU A 91 4.767 -4.470 5.676 1.00 23.23 C ATOM 1383 O LEU A 91 3.813 -5.239 5.767 1.00 44.43 O ATOM 1384 CB LEU A 91 4.311 -2.041 5.372 1.00 43.23 C ATOM 1385 CG LEU A 91 4.024 -0.655 5.978 1.00 2.25 C ATOM 1386 CD1 LEU A 91 4.113 0.359 4.848 1.00 54.14 C ATOM 1387 CD2 LEU A 91 2.646 -0.536 6.626 1.00 74.43 C ATOM 0 H LEU A 91 6.383 -1.918 6.677 1.00 42.11 H new ATOM 0 HA LEU A 91 3.946 -3.168 7.174 1.00 22.44 H new ATOM 0 HB2 LEU A 91 5.115 -1.943 4.643 1.00 43.23 H new ATOM 0 HB3 LEU A 91 3.427 -2.374 4.829 1.00 43.23 H new ATOM 0 HG LEU A 91 4.754 -0.482 6.769 1.00 2.25 H new ATOM 0 HD11 LEU A 91 3.915 1.357 5.238 1.00 54.14 H new ATOM 0 HD12 LEU A 91 5.112 0.331 4.412 1.00 54.14 H new ATOM 0 HD13 LEU A 91 3.376 0.116 4.082 1.00 54.14 H new ATOM 0 HD21 LEU A 91 2.519 0.469 7.029 1.00 74.43 H new ATOM 0 HD22 LEU A 91 1.875 -0.727 5.879 1.00 74.43 H new ATOM 0 HD23 LEU A 91 2.559 -1.264 7.432 1.00 74.43 H new ATOM 1399 N ALA A 92 5.893 -4.773 5.014 1.00 3.13 N ATOM 1400 CA ALA A 92 6.147 -6.043 4.333 1.00 53.53 C ATOM 1401 C ALA A 92 5.778 -7.229 5.232 1.00 23.35 C ATOM 1402 O ALA A 92 5.033 -8.111 4.816 1.00 22.14 O ATOM 1403 CB ALA A 92 7.618 -6.103 3.894 1.00 14.51 C ATOM 0 H ALA A 92 6.672 -4.120 4.938 1.00 3.13 H new ATOM 0 HA ALA A 92 5.518 -6.107 3.445 1.00 53.53 H new ATOM 0 HB1 ALA A 92 7.808 -7.049 3.387 1.00 14.51 H new ATOM 0 HB2 ALA A 92 7.829 -5.278 3.214 1.00 14.51 H new ATOM 0 HB3 ALA A 92 8.262 -6.025 4.770 1.00 14.51 H new ATOM 1409 N THR A 93 6.265 -7.232 6.475 1.00 64.01 N ATOM 1410 CA THR A 93 6.143 -8.353 7.406 1.00 23.42 C ATOM 1411 C THR A 93 4.986 -8.131 8.404 1.00 62.10 C ATOM 1412 O THR A 93 4.833 -8.872 9.376 1.00 72.30 O ATOM 1413 CB THR A 93 7.543 -8.592 8.009 1.00 21.32 C ATOM 1414 OG1 THR A 93 7.704 -9.830 8.676 1.00 2.23 O ATOM 1415 CG2 THR A 93 7.992 -7.485 8.946 1.00 53.53 C ATOM 0 H THR A 93 6.766 -6.436 6.870 1.00 64.01 H new ATOM 0 HA THR A 93 5.847 -9.280 6.915 1.00 23.42 H new ATOM 0 HB THR A 93 8.176 -8.604 7.122 1.00 21.32 H new ATOM 0 HG1 THR A 93 7.811 -10.546 8.015 1.00 2.23 H new ATOM 0 HG21 THR A 93 8.984 -7.717 9.334 1.00 53.53 H new ATOM 0 HG22 THR A 93 8.026 -6.540 8.403 1.00 53.53 H new ATOM 0 HG23 THR A 93 7.289 -7.402 9.775 1.00 53.53 H new ATOM 1423 N ARG A 94 4.140 -7.119 8.180 1.00 0.15 N ATOM 1424 CA ARG A 94 2.977 -6.788 9.010 1.00 55.21 C ATOM 1425 C ARG A 94 1.673 -6.785 8.215 1.00 43.30 C ATOM 1426 O ARG A 94 0.611 -6.608 8.811 1.00 54.52 O ATOM 1427 CB ARG A 94 3.210 -5.412 9.650 1.00 55.31 C ATOM 1428 CG ARG A 94 4.261 -5.397 10.770 1.00 13.31 C ATOM 1429 CD ARG A 94 3.636 -5.657 12.151 1.00 40.54 C ATOM 1430 NE ARG A 94 3.429 -7.081 12.446 1.00 51.21 N ATOM 1431 CZ ARG A 94 4.327 -7.917 12.979 1.00 54.33 C ATOM 1432 NH1 ARG A 94 5.587 -7.553 13.193 1.00 62.11 N ATOM 1433 NH2 ARG A 94 3.922 -9.134 13.300 1.00 32.24 N ATOM 0 H ARG A 94 4.251 -6.486 7.388 1.00 0.15 H new ATOM 0 HA ARG A 94 2.873 -7.557 9.776 1.00 55.21 H new ATOM 0 HB2 ARG A 94 3.516 -4.712 8.873 1.00 55.31 H new ATOM 0 HB3 ARG A 94 2.264 -5.048 10.052 1.00 55.31 H new ATOM 0 HG2 ARG A 94 5.018 -6.154 10.567 1.00 13.31 H new ATOM 0 HG3 ARG A 94 4.769 -4.432 10.778 1.00 13.31 H new ATOM 0 HD2 ARG A 94 4.279 -5.226 12.918 1.00 40.54 H new ATOM 0 HD3 ARG A 94 2.678 -5.140 12.210 1.00 40.54 H new ATOM 0 HE ARG A 94 2.513 -7.470 12.223 1.00 51.21 H new ATOM 0 HH11 ARG A 94 5.894 -6.611 12.949 1.00 62.11 H new ATOM 0 HH12 ARG A 94 6.247 -8.215 13.601 1.00 62.11 H new ATOM 0 HH21 ARG A 94 2.953 -9.408 13.139 1.00 32.24 H new ATOM 0 HH22 ARG A 94 4.579 -9.799 13.709 1.00 32.24 H new ATOM 1447 N LYS A 95 1.735 -6.925 6.886 1.00 21.33 N ATOM 1448 CA LYS A 95 0.659 -6.635 5.944 1.00 22.11 C ATOM 1449 C LYS A 95 -0.672 -7.177 6.408 1.00 21.33 C ATOM 1450 O LYS A 95 -1.620 -6.412 6.506 1.00 72.40 O ATOM 1451 CB LYS A 95 1.032 -7.234 4.573 1.00 12.33 C ATOM 1452 CG LYS A 95 -0.040 -7.024 3.483 1.00 72.12 C ATOM 1453 CD LYS A 95 -0.340 -8.257 2.614 1.00 13.11 C ATOM 1454 CE LYS A 95 -1.434 -9.122 3.254 1.00 2.23 C ATOM 1455 NZ LYS A 95 -1.084 -10.559 3.304 1.00 54.43 N ATOM 0 H LYS A 95 2.579 -7.260 6.421 1.00 21.33 H new ATOM 0 HA LYS A 95 0.547 -5.553 5.871 1.00 22.11 H new ATOM 0 HB2 LYS A 95 1.969 -6.790 4.237 1.00 12.33 H new ATOM 0 HB3 LYS A 95 1.210 -8.303 4.691 1.00 12.33 H new ATOM 0 HG2 LYS A 95 -0.965 -6.703 3.962 1.00 72.12 H new ATOM 0 HG3 LYS A 95 0.281 -6.210 2.833 1.00 72.12 H new ATOM 0 HD2 LYS A 95 -0.656 -7.939 1.621 1.00 13.11 H new ATOM 0 HD3 LYS A 95 0.568 -8.847 2.486 1.00 13.11 H new ATOM 0 HE2 LYS A 95 -1.625 -8.765 4.266 1.00 2.23 H new ATOM 0 HE3 LYS A 95 -2.360 -8.999 2.693 1.00 2.23 H new ATOM 0 HZ1 LYS A 95 -1.668 -11.034 4.021 1.00 54.43 H new ATOM 0 HZ2 LYS A 95 -1.258 -10.991 2.374 1.00 54.43 H new ATOM 0 HZ3 LYS A 95 -0.079 -10.663 3.552 1.00 54.43 H new ATOM 1469 N ASP A 96 -0.756 -8.484 6.616 1.00 71.24 N ATOM 1470 CA ASP A 96 -2.009 -9.175 6.902 1.00 63.11 C ATOM 1471 C ASP A 96 -2.767 -8.516 8.053 1.00 52.10 C ATOM 1472 O ASP A 96 -3.986 -8.374 7.972 1.00 5.15 O ATOM 1473 CB ASP A 96 -1.729 -10.648 7.213 1.00 41.44 C ATOM 1474 CG ASP A 96 -2.581 -11.564 6.345 1.00 31.14 C ATOM 1475 OD1 ASP A 96 -3.801 -11.683 6.587 1.00 34.44 O ATOM 1476 OD2 ASP A 96 -2.008 -12.134 5.388 1.00 44.11 O ATOM 0 H ASP A 96 0.054 -9.103 6.591 1.00 71.24 H new ATOM 0 HA ASP A 96 -2.643 -9.109 6.018 1.00 63.11 H new ATOM 0 HB2 ASP A 96 -0.673 -10.863 7.047 1.00 41.44 H new ATOM 0 HB3 ASP A 96 -1.933 -10.846 8.265 1.00 41.44 H new ATOM 1481 N GLN A 97 -2.048 -8.073 9.087 1.00 2.52 N ATOM 1482 CA GLN A 97 -2.600 -7.356 10.220 1.00 73.00 C ATOM 1483 C GLN A 97 -3.095 -5.974 9.790 1.00 4.14 C ATOM 1484 O GLN A 97 -4.280 -5.710 9.942 1.00 43.43 O ATOM 1485 CB GLN A 97 -1.568 -7.291 11.360 1.00 42.41 C ATOM 1486 CG GLN A 97 -2.161 -6.743 12.664 1.00 4.15 C ATOM 1487 CD GLN A 97 -3.427 -7.488 13.084 1.00 61.23 C ATOM 1488 OE1 GLN A 97 -3.381 -8.669 13.417 1.00 31.21 O ATOM 1489 NE2 GLN A 97 -4.581 -6.860 12.999 1.00 71.24 N ATOM 0 H GLN A 97 -1.040 -8.211 9.153 1.00 2.52 H new ATOM 0 HA GLN A 97 -3.467 -7.894 10.603 1.00 73.00 H new ATOM 0 HB2 GLN A 97 -1.167 -8.289 11.539 1.00 42.41 H new ATOM 0 HB3 GLN A 97 -0.732 -6.662 11.053 1.00 42.41 H new ATOM 0 HG2 GLN A 97 -1.418 -6.818 13.458 1.00 4.15 H new ATOM 0 HG3 GLN A 97 -2.389 -5.684 12.540 1.00 4.15 H new ATOM 0 HE21 GLN A 97 -4.608 -5.879 12.722 1.00 71.24 H new ATOM 0 HE22 GLN A 97 -5.448 -7.355 13.211 1.00 71.24 H new ATOM 1498 N LEU A 98 -2.244 -5.125 9.192 1.00 52.42 N ATOM 1499 CA LEU A 98 -2.637 -3.777 8.734 1.00 55.41 C ATOM 1500 C LEU A 98 -3.839 -3.840 7.802 1.00 3.13 C ATOM 1501 O LEU A 98 -4.646 -2.918 7.699 1.00 71.04 O ATOM 1502 CB LEU A 98 -1.523 -3.093 7.915 1.00 11.42 C ATOM 1503 CG LEU A 98 -0.264 -2.570 8.623 1.00 73.04 C ATOM 1504 CD1 LEU A 98 -0.278 -2.736 10.127 1.00 63.02 C ATOM 1505 CD2 LEU A 98 1.004 -3.224 8.088 1.00 63.11 C ATOM 0 H LEU A 98 -1.266 -5.350 9.011 1.00 52.42 H new ATOM 0 HA LEU A 98 -2.854 -3.219 9.645 1.00 55.41 H new ATOM 0 HB2 LEU A 98 -1.197 -3.802 7.154 1.00 11.42 H new ATOM 0 HB3 LEU A 98 -1.975 -2.250 7.392 1.00 11.42 H new ATOM 0 HG LEU A 98 -0.268 -1.503 8.402 1.00 73.04 H new ATOM 0 HD11 LEU A 98 0.648 -2.341 10.545 1.00 63.02 H new ATOM 0 HD12 LEU A 98 -1.126 -2.193 10.545 1.00 63.02 H new ATOM 0 HD13 LEU A 98 -0.366 -3.794 10.376 1.00 63.02 H new ATOM 0 HD21 LEU A 98 1.870 -2.825 8.616 1.00 63.11 H new ATOM 0 HD22 LEU A 98 0.950 -4.302 8.241 1.00 63.11 H new ATOM 0 HD23 LEU A 98 1.100 -3.014 7.023 1.00 63.11 H new ATOM 1517 N TRP A 99 -3.880 -4.894 7.005 1.00 55.33 N ATOM 1518 CA TRP A 99 -4.912 -5.131 6.032 1.00 21.05 C ATOM 1519 C TRP A 99 -6.212 -5.511 6.726 1.00 44.21 C ATOM 1520 O TRP A 99 -7.237 -4.903 6.422 1.00 41.20 O ATOM 1521 CB TRP A 99 -4.425 -6.195 5.053 1.00 14.23 C ATOM 1522 CG TRP A 99 -5.349 -6.370 3.909 1.00 20.03 C ATOM 1523 CD1 TRP A 99 -5.989 -7.518 3.599 1.00 63.40 C ATOM 1524 CD2 TRP A 99 -5.826 -5.351 2.978 1.00 34.25 C ATOM 1525 NE1 TRP A 99 -6.828 -7.290 2.537 1.00 73.40 N ATOM 1526 CE2 TRP A 99 -6.806 -5.971 2.153 1.00 53.04 C ATOM 1527 CE3 TRP A 99 -5.587 -3.966 2.780 1.00 1.14 C ATOM 1528 CZ2 TRP A 99 -7.548 -5.257 1.215 1.00 60.43 C ATOM 1529 CZ3 TRP A 99 -6.300 -3.248 1.798 1.00 24.55 C ATOM 1530 CH2 TRP A 99 -7.292 -3.892 1.040 1.00 74.41 C ATOM 0 H TRP A 99 -3.170 -5.626 7.024 1.00 55.33 H new ATOM 0 HA TRP A 99 -5.123 -4.225 5.464 1.00 21.05 H new ATOM 0 HB2 TRP A 99 -3.438 -5.919 4.681 1.00 14.23 H new ATOM 0 HB3 TRP A 99 -4.315 -7.145 5.577 1.00 14.23 H new ATOM 0 HD1 TRP A 99 -5.861 -8.463 4.105 1.00 63.40 H new ATOM 0 HE1 TRP A 99 -7.396 -8.009 2.089 1.00 73.40 H new ATOM 0 HE3 TRP A 99 -4.852 -3.458 3.387 1.00 1.14 H new ATOM 0 HZ2 TRP A 99 -8.311 -5.750 0.631 1.00 60.43 H new ATOM 0 HZ3 TRP A 99 -6.084 -2.204 1.629 1.00 24.55 H new ATOM 0 HH2 TRP A 99 -7.862 -3.329 0.316 1.00 74.41 H new ATOM 1541 N ALA A 100 -6.170 -6.452 7.674 1.00 54.21 N ATOM 1542 CA ALA A 100 -7.321 -6.836 8.478 1.00 60.41 C ATOM 1543 C ALA A 100 -7.815 -5.660 9.330 1.00 55.33 C ATOM 1544 O ALA A 100 -9.022 -5.523 9.522 1.00 35.13 O ATOM 1545 CB ALA A 100 -6.956 -8.031 9.366 1.00 43.12 C ATOM 0 H ALA A 100 -5.323 -6.971 7.903 1.00 54.21 H new ATOM 0 HA ALA A 100 -8.132 -7.124 7.810 1.00 60.41 H new ATOM 0 HB1 ALA A 100 -7.820 -8.316 9.966 1.00 43.12 H new ATOM 0 HB2 ALA A 100 -6.657 -8.871 8.740 1.00 43.12 H new ATOM 0 HB3 ALA A 100 -6.131 -7.757 10.024 1.00 43.12 H new ATOM 1551 N ASP A 101 -6.912 -4.811 9.821 1.00 41.53 N ATOM 1552 CA ASP A 101 -7.212 -3.598 10.580 1.00 75.52 C ATOM 1553 C ASP A 101 -7.989 -2.633 9.688 1.00 40.40 C ATOM 1554 O ASP A 101 -9.078 -2.193 10.046 1.00 72.12 O ATOM 1555 CB ASP A 101 -5.924 -2.936 11.110 1.00 74.34 C ATOM 1556 CG ASP A 101 -5.511 -3.450 12.489 1.00 32.32 C ATOM 1557 OD1 ASP A 101 -6.252 -3.205 13.469 1.00 55.10 O ATOM 1558 OD2 ASP A 101 -4.430 -4.065 12.643 1.00 54.51 O ATOM 0 H ASP A 101 -5.910 -4.956 9.695 1.00 41.53 H new ATOM 0 HA ASP A 101 -7.818 -3.862 11.447 1.00 75.52 H new ATOM 0 HB2 ASP A 101 -5.113 -3.115 10.404 1.00 74.34 H new ATOM 0 HB3 ASP A 101 -6.071 -1.857 11.160 1.00 74.34 H new ATOM 1563 N TYR A 102 -7.474 -2.311 8.499 1.00 73.21 N ATOM 1564 CA TYR A 102 -8.185 -1.426 7.587 1.00 73.50 C ATOM 1565 C TYR A 102 -9.459 -2.059 7.007 1.00 40.21 C ATOM 1566 O TYR A 102 -10.372 -1.324 6.626 1.00 51.22 O ATOM 1567 CB TYR A 102 -7.248 -0.990 6.460 1.00 72.21 C ATOM 1568 CG TYR A 102 -6.487 0.299 6.693 1.00 51.03 C ATOM 1569 CD1 TYR A 102 -7.163 1.472 7.097 1.00 24.41 C ATOM 1570 CD2 TYR A 102 -5.103 0.337 6.441 1.00 54.52 C ATOM 1571 CE1 TYR A 102 -6.455 2.677 7.285 1.00 74.31 C ATOM 1572 CE2 TYR A 102 -4.412 1.552 6.579 1.00 22.02 C ATOM 1573 CZ TYR A 102 -5.070 2.721 7.015 1.00 22.13 C ATOM 1574 OH TYR A 102 -4.332 3.848 7.210 1.00 34.15 O ATOM 0 H TYR A 102 -6.576 -2.648 8.152 1.00 73.21 H new ATOM 0 HA TYR A 102 -8.506 -0.558 8.164 1.00 73.50 H new ATOM 0 HB2 TYR A 102 -6.527 -1.788 6.284 1.00 72.21 H new ATOM 0 HB3 TYR A 102 -7.834 -0.883 5.547 1.00 72.21 H new ATOM 0 HD1 TYR A 102 -8.230 1.446 7.263 1.00 24.41 H new ATOM 0 HD2 TYR A 102 -4.578 -0.559 6.145 1.00 54.52 H new ATOM 0 HE1 TYR A 102 -6.969 3.561 7.633 1.00 74.31 H new ATOM 0 HE2 TYR A 102 -3.358 1.592 6.347 1.00 22.02 H new ATOM 0 HH TYR A 102 -4.059 4.214 6.343 1.00 34.15 H new ATOM 1584 N LEU A 103 -9.543 -3.389 6.891 1.00 15.01 N ATOM 1585 CA LEU A 103 -10.789 -4.097 6.578 1.00 0.13 C ATOM 1586 C LEU A 103 -11.797 -3.869 7.695 1.00 4.05 C ATOM 1587 O LEU A 103 -12.975 -3.676 7.399 1.00 4.31 O ATOM 1588 CB LEU A 103 -10.575 -5.616 6.459 1.00 52.14 C ATOM 1589 CG LEU A 103 -10.440 -6.220 5.046 1.00 54.23 C ATOM 1590 CD1 LEU A 103 -9.630 -5.433 4.022 1.00 75.20 C ATOM 1591 CD2 LEU A 103 -9.728 -7.565 5.141 1.00 0.45 C ATOM 0 H LEU A 103 -8.742 -4.009 7.013 1.00 15.01 H new ATOM 0 HA LEU A 103 -11.146 -3.708 5.624 1.00 0.13 H new ATOM 0 HB2 LEU A 103 -9.675 -5.871 7.019 1.00 52.14 H new ATOM 0 HB3 LEU A 103 -11.410 -6.111 6.955 1.00 52.14 H new ATOM 0 HG LEU A 103 -11.473 -6.249 4.698 1.00 54.23 H new ATOM 0 HD11 LEU A 103 -9.618 -5.973 3.075 1.00 75.20 H new ATOM 0 HD12 LEU A 103 -10.083 -4.453 3.875 1.00 75.20 H new ATOM 0 HD13 LEU A 103 -8.609 -5.310 4.383 1.00 75.20 H new ATOM 0 HD21 LEU A 103 -9.630 -7.996 4.145 1.00 0.45 H new ATOM 0 HD22 LEU A 103 -8.738 -7.423 5.574 1.00 0.45 H new ATOM 0 HD23 LEU A 103 -10.306 -8.239 5.773 1.00 0.45 H new ATOM 1603 N ALA A 104 -11.356 -3.945 8.958 1.00 75.51 N ATOM 1604 CA ALA A 104 -12.213 -3.671 10.097 1.00 33.41 C ATOM 1605 C ALA A 104 -12.730 -2.250 9.977 1.00 62.44 C ATOM 1606 O ALA A 104 -13.936 -2.069 10.032 1.00 62.43 O ATOM 1607 CB ALA A 104 -11.510 -3.883 11.440 1.00 64.33 C ATOM 0 H ALA A 104 -10.400 -4.197 9.208 1.00 75.51 H new ATOM 0 HA ALA A 104 -13.039 -4.382 10.081 1.00 33.41 H new ATOM 0 HB1 ALA A 104 -12.203 -3.662 12.252 1.00 64.33 H new ATOM 0 HB2 ALA A 104 -11.178 -4.918 11.518 1.00 64.33 H new ATOM 0 HB3 ALA A 104 -10.648 -3.220 11.508 1.00 64.33 H new ATOM 1613 N GLU A 105 -11.864 -1.258 9.758 1.00 54.03 N ATOM 1614 CA GLU A 105 -12.319 0.114 9.604 1.00 63.20 C ATOM 1615 C GLU A 105 -13.303 0.263 8.444 1.00 72.23 C ATOM 1616 O GLU A 105 -14.331 0.910 8.624 1.00 14.33 O ATOM 1617 CB GLU A 105 -11.145 1.084 9.441 1.00 75.21 C ATOM 1618 CG GLU A 105 -10.455 1.465 10.752 1.00 31.53 C ATOM 1619 CD GLU A 105 -10.141 2.965 10.829 1.00 71.41 C ATOM 1620 OE1 GLU A 105 -11.080 3.794 10.754 1.00 55.04 O ATOM 1621 OE2 GLU A 105 -8.947 3.311 10.986 1.00 73.54 O ATOM 0 H GLU A 105 -10.854 -1.383 9.685 1.00 54.03 H new ATOM 0 HA GLU A 105 -12.846 0.372 10.523 1.00 63.20 H new ATOM 0 HB2 GLU A 105 -10.409 0.636 8.774 1.00 75.21 H new ATOM 0 HB3 GLU A 105 -11.504 1.992 8.956 1.00 75.21 H new ATOM 0 HG2 GLU A 105 -11.093 1.186 11.591 1.00 31.53 H new ATOM 0 HG3 GLU A 105 -9.530 0.897 10.852 1.00 31.53 H new ATOM 1628 N LEU A 106 -13.038 -0.338 7.277 1.00 43.20 N ATOM 1629 CA LEU A 106 -13.937 -0.261 6.126 1.00 12.11 C ATOM 1630 C LEU A 106 -15.326 -0.785 6.482 1.00 14.12 C ATOM 1631 O LEU A 106 -16.334 -0.122 6.230 1.00 14.25 O ATOM 1632 CB LEU A 106 -13.354 -1.005 4.895 1.00 23.55 C ATOM 1633 CG LEU A 106 -13.148 -0.094 3.665 1.00 14.23 C ATOM 1634 CD1 LEU A 106 -14.487 0.510 3.286 1.00 73.32 C ATOM 1635 CD2 LEU A 106 -12.103 0.992 3.932 1.00 14.12 C ATOM 0 H LEU A 106 -12.196 -0.889 7.108 1.00 43.20 H new ATOM 0 HA LEU A 106 -14.034 0.790 5.853 1.00 12.11 H new ATOM 0 HB2 LEU A 106 -12.399 -1.452 5.170 1.00 23.55 H new ATOM 0 HB3 LEU A 106 -14.023 -1.822 4.624 1.00 23.55 H new ATOM 0 HG LEU A 106 -12.765 -0.689 2.836 1.00 14.23 H new ATOM 0 HD11 LEU A 106 -14.362 1.157 2.418 1.00 73.32 H new ATOM 0 HD12 LEU A 106 -15.191 -0.287 3.046 1.00 73.32 H new ATOM 0 HD13 LEU A 106 -14.872 1.094 4.122 1.00 73.32 H new ATOM 0 HD21 LEU A 106 -11.987 1.612 3.043 1.00 14.12 H new ATOM 0 HD22 LEU A 106 -12.428 1.613 4.767 1.00 14.12 H new ATOM 0 HD23 LEU A 106 -11.148 0.526 4.177 1.00 14.12 H new ATOM 1647 N ALA A 107 -15.349 -1.961 7.106 1.00 64.40 N ATOM 1648 CA ALA A 107 -16.549 -2.651 7.544 1.00 4.03 C ATOM 1649 C ALA A 107 -17.275 -1.817 8.607 1.00 14.44 C ATOM 1650 O ALA A 107 -18.488 -1.639 8.559 1.00 0.43 O ATOM 1651 CB ALA A 107 -16.125 -4.031 8.075 1.00 73.50 C ATOM 0 H ALA A 107 -14.496 -2.475 7.326 1.00 64.40 H new ATOM 0 HA ALA A 107 -17.251 -2.787 6.721 1.00 4.03 H new ATOM 0 HB1 ALA A 107 -17.006 -4.577 8.413 1.00 73.50 H new ATOM 0 HB2 ALA A 107 -15.634 -4.592 7.280 1.00 73.50 H new ATOM 0 HB3 ALA A 107 -15.435 -3.904 8.909 1.00 73.50 H new ATOM 1657 N SER A 108 -16.526 -1.268 9.558 1.00 24.55 N ATOM 1658 CA SER A 108 -17.008 -0.522 10.705 1.00 41.44 C ATOM 1659 C SER A 108 -17.554 0.849 10.295 1.00 64.11 C ATOM 1660 O SER A 108 -18.494 1.333 10.930 1.00 44.31 O ATOM 1661 CB SER A 108 -15.837 -0.415 11.688 1.00 40.12 C ATOM 1662 OG SER A 108 -16.212 -0.028 12.991 1.00 33.12 O ATOM 0 H SER A 108 -15.509 -1.339 9.544 1.00 24.55 H new ATOM 0 HA SER A 108 -17.847 -1.033 11.178 1.00 41.44 H new ATOM 0 HB2 SER A 108 -15.330 -1.379 11.739 1.00 40.12 H new ATOM 0 HB3 SER A 108 -15.116 0.305 11.300 1.00 40.12 H new ATOM 0 HG SER A 108 -15.416 0.017 13.561 1.00 33.12 H new ATOM 1668 N ALA A 109 -17.008 1.482 9.253 1.00 54.02 N ATOM 1669 CA ALA A 109 -17.572 2.687 8.653 1.00 42.13 C ATOM 1670 C ALA A 109 -18.754 2.355 7.731 1.00 13.12 C ATOM 1671 O ALA A 109 -19.474 3.261 7.309 1.00 53.13 O ATOM 1672 CB ALA A 109 -16.482 3.431 7.872 1.00 53.40 C ATOM 0 H ALA A 109 -16.151 1.165 8.799 1.00 54.02 H new ATOM 0 HA ALA A 109 -17.947 3.325 9.453 1.00 42.13 H new ATOM 0 HB1 ALA A 109 -16.905 4.331 7.425 1.00 53.40 H new ATOM 0 HB2 ALA A 109 -15.674 3.708 8.549 1.00 53.40 H new ATOM 0 HB3 ALA A 109 -16.091 2.784 7.086 1.00 53.40 H new ATOM 1678 N GLY A 110 -18.981 1.077 7.411 1.00 12.35 N ATOM 1679 CA GLY A 110 -20.028 0.635 6.505 1.00 14.12 C ATOM 1680 C GLY A 110 -19.825 1.173 5.092 1.00 74.33 C ATOM 1681 O GLY A 110 -20.815 1.433 4.405 1.00 40.12 O ATOM 0 H GLY A 110 -18.425 0.309 7.787 1.00 12.35 H new ATOM 0 HA2 GLY A 110 -20.049 -0.454 6.479 1.00 14.12 H new ATOM 0 HA3 GLY A 110 -20.997 0.963 6.882 1.00 14.12 H new ATOM 1685 N LYS A 111 -18.577 1.361 4.648 1.00 73.22 N ATOM 1686 CA LYS A 111 -18.277 1.732 3.262 1.00 3.32 C ATOM 1687 C LYS A 111 -17.730 0.516 2.527 1.00 64.31 C ATOM 1688 O LYS A 111 -17.734 -0.593 3.068 1.00 61.23 O ATOM 1689 CB LYS A 111 -17.323 2.938 3.184 1.00 40.43 C ATOM 1690 CG LYS A 111 -17.762 4.188 3.957 1.00 40.43 C ATOM 1691 CD LYS A 111 -19.066 4.743 3.379 1.00 20.11 C ATOM 1692 CE LYS A 111 -19.389 6.108 3.979 1.00 74.34 C ATOM 1693 NZ LYS A 111 -20.709 6.586 3.516 1.00 42.12 N ATOM 0 H LYS A 111 -17.750 1.261 5.237 1.00 73.22 H new ATOM 0 HA LYS A 111 -19.197 2.051 2.772 1.00 3.32 H new ATOM 0 HB2 LYS A 111 -16.346 2.629 3.555 1.00 40.43 H new ATOM 0 HB3 LYS A 111 -17.195 3.209 2.136 1.00 40.43 H new ATOM 0 HG2 LYS A 111 -17.899 3.942 5.010 1.00 40.43 H new ATOM 0 HG3 LYS A 111 -16.982 4.948 3.906 1.00 40.43 H new ATOM 0 HD2 LYS A 111 -18.981 4.828 2.296 1.00 20.11 H new ATOM 0 HD3 LYS A 111 -19.882 4.050 3.581 1.00 20.11 H new ATOM 0 HE2 LYS A 111 -19.382 6.043 5.067 1.00 74.34 H new ATOM 0 HE3 LYS A 111 -18.618 6.826 3.698 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 -20.908 7.516 3.936 1.00 42.12 H new ATOM 0 HZ2 LYS A 111 -20.704 6.668 2.479 1.00 42.12 H new ATOM 0 HZ3 LYS A 111 -21.444 5.910 3.806 1.00 42.12 H new ATOM 1707 N SER A 112 -17.222 0.711 1.314 1.00 33.55 N ATOM 1708 CA SER A 112 -16.590 -0.330 0.531 1.00 75.44 C ATOM 1709 C SER A 112 -15.351 0.226 -0.162 1.00 2.22 C ATOM 1710 O SER A 112 -15.200 1.436 -0.356 1.00 41.30 O ATOM 1711 CB SER A 112 -17.607 -0.842 -0.482 1.00 54.00 C ATOM 1712 OG SER A 112 -18.721 -1.462 0.148 1.00 2.33 O ATOM 0 H SER A 112 -17.242 1.616 0.844 1.00 33.55 H new ATOM 0 HA SER A 112 -16.269 -1.154 1.168 1.00 75.44 H new ATOM 0 HB2 SER A 112 -17.954 -0.012 -1.098 1.00 54.00 H new ATOM 0 HB3 SER A 112 -17.125 -1.556 -1.150 1.00 54.00 H new ATOM 0 HG SER A 112 -18.988 -2.253 -0.365 1.00 2.33 H new ATOM 1718 N ARG A 113 -14.415 -0.658 -0.513 1.00 24.11 N ATOM 1719 CA ARG A 113 -13.232 -0.253 -1.269 1.00 41.13 C ATOM 1720 C ARG A 113 -13.559 -0.099 -2.746 1.00 71.24 C ATOM 1721 O ARG A 113 -12.859 0.646 -3.426 1.00 3.23 O ATOM 1722 CB ARG A 113 -12.087 -1.255 -1.094 1.00 34.12 C ATOM 1723 CG ARG A 113 -11.718 -1.439 0.374 1.00 31.11 C ATOM 1724 CD ARG A 113 -10.564 -2.429 0.575 1.00 54.12 C ATOM 1725 NE ARG A 113 -11.054 -3.811 0.666 1.00 2.43 N ATOM 1726 CZ ARG A 113 -11.848 -4.315 1.618 1.00 63.20 C ATOM 1727 NH1 ARG A 113 -12.145 -3.609 2.704 1.00 20.13 N ATOM 1728 NH2 ARG A 113 -12.364 -5.527 1.465 1.00 61.23 N ATOM 0 H ARG A 113 -14.454 -1.652 -0.287 1.00 24.11 H new ATOM 0 HA ARG A 113 -12.910 0.711 -0.875 1.00 41.13 H new ATOM 0 HB2 ARG A 113 -12.376 -2.216 -1.520 1.00 34.12 H new ATOM 0 HB3 ARG A 113 -11.214 -0.910 -1.648 1.00 34.12 H new ATOM 0 HG2 ARG A 113 -11.441 -0.474 0.798 1.00 31.11 H new ATOM 0 HG3 ARG A 113 -12.592 -1.790 0.923 1.00 31.11 H new ATOM 0 HD2 ARG A 113 -9.861 -2.344 -0.254 1.00 54.12 H new ATOM 0 HD3 ARG A 113 -10.018 -2.174 1.483 1.00 54.12 H new ATOM 0 HE ARG A 113 -10.759 -4.451 -0.071 1.00 2.43 H new ATOM 0 HH11 ARG A 113 -11.766 -2.669 2.821 1.00 20.13 H new ATOM 0 HH12 ARG A 113 -12.752 -4.007 3.421 1.00 20.13 H new ATOM 0 HH21 ARG A 113 -12.155 -6.068 0.626 1.00 61.23 H new ATOM 0 HH22 ARG A 113 -12.970 -5.918 2.186 1.00 61.23 H new ATOM 1742 N ASP A 114 -14.556 -0.821 -3.248 1.00 41.30 N ATOM 1743 CA ASP A 114 -14.998 -0.731 -4.639 1.00 53.13 C ATOM 1744 C ASP A 114 -15.807 0.550 -4.855 1.00 31.12 C ATOM 1745 O ASP A 114 -16.332 1.102 -3.887 1.00 55.23 O ATOM 1746 CB ASP A 114 -15.801 -1.989 -5.010 1.00 71.50 C ATOM 1747 CG ASP A 114 -15.290 -2.717 -6.245 1.00 3.05 C ATOM 1748 OD1 ASP A 114 -14.073 -2.682 -6.516 1.00 13.11 O ATOM 1749 OD2 ASP A 114 -16.131 -3.325 -6.943 1.00 15.02 O ATOM 0 H ASP A 114 -15.087 -1.494 -2.695 1.00 41.30 H new ATOM 0 HA ASP A 114 -14.131 -0.682 -5.298 1.00 53.13 H new ATOM 0 HB2 ASP A 114 -15.786 -2.677 -4.165 1.00 71.50 H new ATOM 0 HB3 ASP A 114 -16.841 -1.707 -5.173 1.00 71.50 H new ATOM 1754 N PRO A 115 -15.901 1.041 -6.101 1.00 12.34 N ATOM 1755 CA PRO A 115 -16.456 2.358 -6.401 1.00 21.54 C ATOM 1756 C PRO A 115 -17.983 2.440 -6.367 1.00 54.22 C ATOM 1757 O PRO A 115 -18.528 3.544 -6.243 1.00 71.53 O ATOM 1758 CB PRO A 115 -15.961 2.659 -7.819 1.00 42.10 C ATOM 1759 CG PRO A 115 -15.837 1.275 -8.444 1.00 72.52 C ATOM 1760 CD PRO A 115 -15.253 0.496 -7.285 1.00 13.34 C ATOM 0 HA PRO A 115 -16.134 3.069 -5.640 1.00 21.54 H new ATOM 0 HB2 PRO A 115 -16.664 3.287 -8.366 1.00 42.10 H new ATOM 0 HB3 PRO A 115 -15.006 3.184 -7.809 1.00 42.10 H new ATOM 0 HG2 PRO A 115 -16.800 0.878 -8.766 1.00 72.52 H new ATOM 0 HG3 PRO A 115 -15.183 1.272 -9.316 1.00 72.52 H new ATOM 0 HD2 PRO A 115 -15.450 -0.571 -7.387 1.00 13.34 H new ATOM 0 HD3 PRO A 115 -14.171 0.617 -7.234 1.00 13.34 H new ATOM 1768 N ASP A 116 -18.675 1.319 -6.549 1.00 42.21 N ATOM 1769 CA ASP A 116 -20.129 1.237 -6.689 1.00 20.15 C ATOM 1770 C ASP A 116 -20.582 -0.119 -6.141 1.00 0.22 C ATOM 1771 O ASP A 116 -21.318 -0.888 -6.757 1.00 74.32 O ATOM 1772 CB ASP A 116 -20.499 1.435 -8.162 1.00 41.42 C ATOM 1773 CG ASP A 116 -22.011 1.481 -8.352 1.00 54.32 C ATOM 1774 OD1 ASP A 116 -22.704 2.156 -7.560 1.00 12.33 O ATOM 1775 OD2 ASP A 116 -22.517 0.884 -9.328 1.00 63.13 O ATOM 0 H ASP A 116 -18.223 0.407 -6.605 1.00 42.21 H new ATOM 0 HA ASP A 116 -20.638 2.017 -6.123 1.00 20.15 H new ATOM 0 HB2 ASP A 116 -20.056 2.361 -8.529 1.00 41.42 H new ATOM 0 HB3 ASP A 116 -20.080 0.623 -8.757 1.00 41.42 H new ATOM 1780 N GLU A 117 -20.000 -0.471 -4.999 1.00 43.23 N ATOM 1781 CA GLU A 117 -19.951 -1.819 -4.479 1.00 51.33 C ATOM 1782 C GLU A 117 -21.339 -2.299 -4.038 1.00 40.00 C ATOM 1783 O GLU A 117 -22.050 -1.560 -3.353 1.00 35.32 O ATOM 1784 CB GLU A 117 -18.935 -1.794 -3.333 1.00 41.32 C ATOM 1785 CG GLU A 117 -18.265 -3.151 -3.120 1.00 51.20 C ATOM 1786 CD GLU A 117 -19.180 -4.090 -2.371 1.00 43.22 C ATOM 1787 OE1 GLU A 117 -19.527 -3.757 -1.212 1.00 34.24 O ATOM 1788 OE2 GLU A 117 -19.555 -5.112 -2.989 1.00 21.31 O ATOM 0 H GLU A 117 -19.534 0.205 -4.393 1.00 43.23 H new ATOM 0 HA GLU A 117 -19.641 -2.535 -5.240 1.00 51.33 H new ATOM 0 HB2 GLU A 117 -18.172 -1.044 -3.543 1.00 41.32 H new ATOM 0 HB3 GLU A 117 -19.436 -1.490 -2.414 1.00 41.32 H new ATOM 0 HG2 GLU A 117 -18.000 -3.586 -4.084 1.00 51.20 H new ATOM 0 HG3 GLU A 117 -17.337 -3.020 -2.564 1.00 51.20 H new ATOM 1795 N SER A 118 -21.708 -3.546 -4.339 1.00 33.22 N ATOM 1796 CA SER A 118 -23.015 -4.111 -4.053 1.00 55.23 C ATOM 1797 C SER A 118 -22.907 -5.602 -3.725 1.00 52.42 C ATOM 1798 O SER A 118 -23.099 -6.455 -4.585 1.00 74.24 O ATOM 1799 CB SER A 118 -23.957 -3.859 -5.234 1.00 14.32 C ATOM 1800 OG SER A 118 -24.475 -2.546 -5.195 1.00 64.51 O ATOM 0 H SER A 118 -21.082 -4.205 -4.802 1.00 33.22 H new ATOM 0 HA SER A 118 -23.430 -3.620 -3.173 1.00 55.23 H new ATOM 0 HB2 SER A 118 -23.422 -4.015 -6.171 1.00 14.32 H new ATOM 0 HB3 SER A 118 -24.776 -4.578 -5.211 1.00 14.32 H new ATOM 0 HG SER A 118 -23.952 -2.007 -4.565 1.00 64.51 H new ATOM 1806 N VAL A 119 -22.657 -5.937 -2.462 1.00 34.24 N ATOM 1807 CA VAL A 119 -22.742 -7.289 -1.938 1.00 43.02 C ATOM 1808 C VAL A 119 -24.198 -7.792 -1.942 1.00 1.24 C ATOM 1809 O VAL A 119 -24.908 -7.719 -0.938 1.00 1.34 O ATOM 1810 CB VAL A 119 -22.075 -7.338 -0.552 1.00 43.22 C ATOM 1811 CG1 VAL A 119 -20.551 -7.208 -0.648 1.00 35.15 C ATOM 1812 CG2 VAL A 119 -22.548 -6.281 0.456 1.00 74.10 C ATOM 0 H VAL A 119 -22.382 -5.252 -1.758 1.00 34.24 H new ATOM 0 HA VAL A 119 -22.197 -7.977 -2.584 1.00 43.02 H new ATOM 0 HB VAL A 119 -22.382 -8.315 -0.180 1.00 43.22 H new ATOM 0 HG11 VAL A 119 -20.119 -7.247 0.352 1.00 35.15 H new ATOM 0 HG12 VAL A 119 -20.153 -8.027 -1.248 1.00 35.15 H new ATOM 0 HG13 VAL A 119 -20.296 -6.258 -1.117 1.00 35.15 H new ATOM 0 HG21 VAL A 119 -22.012 -6.409 1.396 1.00 74.10 H new ATOM 0 HG22 VAL A 119 -22.350 -5.285 0.059 1.00 74.10 H new ATOM 0 HG23 VAL A 119 -23.618 -6.397 0.629 1.00 74.10 H new ATOM 1822 N VAL A 120 -24.656 -8.294 -3.090 1.00 35.13 N ATOM 1823 CA VAL A 120 -25.994 -8.824 -3.372 1.00 74.33 C ATOM 1824 C VAL A 120 -27.123 -7.865 -2.924 1.00 52.13 C ATOM 1825 O VAL A 120 -28.237 -8.280 -2.593 1.00 35.12 O ATOM 1826 CB VAL A 120 -26.069 -10.312 -2.931 1.00 14.14 C ATOM 1827 CG1 VAL A 120 -25.992 -10.531 -1.413 1.00 60.21 C ATOM 1828 CG2 VAL A 120 -27.266 -11.061 -3.537 1.00 41.02 C ATOM 0 H VAL A 120 -24.055 -8.345 -3.912 1.00 35.13 H new ATOM 0 HA VAL A 120 -26.183 -8.857 -4.445 1.00 74.33 H new ATOM 0 HB VAL A 120 -25.161 -10.749 -3.345 1.00 14.14 H new ATOM 0 HG11 VAL A 120 -26.052 -11.597 -1.196 1.00 60.21 H new ATOM 0 HG12 VAL A 120 -25.049 -10.136 -1.036 1.00 60.21 H new ATOM 0 HG13 VAL A 120 -26.821 -10.015 -0.928 1.00 60.21 H new ATOM 0 HG21 VAL A 120 -27.262 -12.094 -3.191 1.00 41.02 H new ATOM 0 HG22 VAL A 120 -28.192 -10.578 -3.227 1.00 41.02 H new ATOM 0 HG23 VAL A 120 -27.194 -11.043 -4.624 1.00 41.02 H new ATOM 1838 N LYS A 121 -26.839 -6.555 -2.931 1.00 11.05 N ATOM 1839 CA LYS A 121 -27.798 -5.476 -2.661 1.00 20.44 C ATOM 1840 C LYS A 121 -28.240 -4.765 -3.939 1.00 61.43 C ATOM 1841 O LYS A 121 -29.220 -4.017 -3.902 1.00 31.12 O ATOM 1842 CB LYS A 121 -27.236 -4.485 -1.617 1.00 0.24 C ATOM 1843 CG LYS A 121 -25.891 -3.824 -1.987 1.00 62.41 C ATOM 1844 CD LYS A 121 -25.931 -2.306 -2.240 1.00 74.53 C ATOM 1845 CE LYS A 121 -26.873 -1.969 -3.398 1.00 21.34 C ATOM 1846 NZ LYS A 121 -26.761 -0.583 -3.889 1.00 31.32 N ATOM 0 H LYS A 121 -25.902 -6.206 -3.132 1.00 11.05 H new ATOM 0 HA LYS A 121 -28.692 -5.933 -2.237 1.00 20.44 H new ATOM 0 HB2 LYS A 121 -27.974 -3.700 -1.453 1.00 0.24 H new ATOM 0 HB3 LYS A 121 -27.114 -5.011 -0.670 1.00 0.24 H new ATOM 0 HG2 LYS A 121 -25.180 -4.020 -1.184 1.00 62.41 H new ATOM 0 HG3 LYS A 121 -25.504 -4.311 -2.882 1.00 62.41 H new ATOM 0 HD2 LYS A 121 -26.260 -1.792 -1.337 1.00 74.53 H new ATOM 0 HD3 LYS A 121 -24.928 -1.944 -2.465 1.00 74.53 H new ATOM 0 HE2 LYS A 121 -26.673 -2.652 -4.224 1.00 21.34 H new ATOM 0 HE3 LYS A 121 -27.900 -2.147 -3.079 1.00 21.34 H new ATOM 0 HZ1 LYS A 121 -27.431 -0.437 -4.671 1.00 31.32 H new ATOM 0 HZ2 LYS A 121 -26.981 0.078 -3.117 1.00 31.32 H new ATOM 0 HZ3 LYS A 121 -25.792 -0.411 -4.226 1.00 31.32 H new ATOM 1860 N LEU A 122 -27.536 -4.948 -5.062 1.00 1.05 N ATOM 1861 CA LEU A 122 -28.078 -4.586 -6.365 1.00 40.41 C ATOM 1862 C LEU A 122 -29.039 -5.720 -6.702 1.00 40.13 C ATOM 1863 O LEU A 122 -28.668 -6.892 -6.611 1.00 40.41 O ATOM 1864 CB LEU A 122 -26.966 -4.401 -7.419 1.00 60.52 C ATOM 1865 CG LEU A 122 -27.254 -3.358 -8.522 1.00 31.32 C ATOM 1866 CD1 LEU A 122 -28.459 -3.702 -9.398 1.00 40.43 C ATOM 1867 CD2 LEU A 122 -27.435 -1.941 -7.958 1.00 24.33 C ATOM 0 H LEU A 122 -26.596 -5.343 -5.089 1.00 1.05 H new ATOM 0 HA LEU A 122 -28.588 -3.623 -6.354 1.00 40.41 H new ATOM 0 HB2 LEU A 122 -26.048 -4.115 -6.905 1.00 60.52 H new ATOM 0 HB3 LEU A 122 -26.778 -5.363 -7.895 1.00 60.52 H new ATOM 0 HG LEU A 122 -26.364 -3.386 -9.151 1.00 31.32 H new ATOM 0 HD11 LEU A 122 -28.597 -2.924 -10.148 1.00 40.43 H new ATOM 0 HD12 LEU A 122 -28.287 -4.657 -9.894 1.00 40.43 H new ATOM 0 HD13 LEU A 122 -29.352 -3.771 -8.777 1.00 40.43 H new ATOM 0 HD21 LEU A 122 -27.635 -1.247 -8.775 1.00 24.33 H new ATOM 0 HD22 LEU A 122 -28.272 -1.931 -7.260 1.00 24.33 H new ATOM 0 HD23 LEU A 122 -26.526 -1.637 -7.438 1.00 24.33 H new ATOM 1879 N MET A 123 -30.294 -5.378 -6.960 1.00 73.24 N ATOM 1880 CA MET A 123 -31.339 -6.291 -7.391 1.00 71.24 C ATOM 1881 C MET A 123 -31.183 -6.500 -8.908 1.00 12.12 C ATOM 1882 O MET A 123 -30.062 -6.531 -9.423 1.00 24.54 O ATOM 1883 CB MET A 123 -32.709 -5.785 -6.891 1.00 3.43 C ATOM 1884 CG MET A 123 -33.700 -6.943 -6.688 1.00 42.00 C ATOM 1885 SD MET A 123 -35.224 -6.529 -5.793 1.00 13.13 S ATOM 1886 CE MET A 123 -34.596 -6.416 -4.093 1.00 61.40 C ATOM 0 H MET A 123 -30.623 -4.417 -6.870 1.00 73.24 H new ATOM 0 HA MET A 123 -31.258 -7.284 -6.949 1.00 71.24 H new ATOM 0 HB2 MET A 123 -32.578 -5.248 -5.951 1.00 3.43 H new ATOM 0 HB3 MET A 123 -33.120 -5.075 -7.609 1.00 3.43 H new ATOM 0 HG2 MET A 123 -33.972 -7.340 -7.666 1.00 42.00 H new ATOM 0 HG3 MET A 123 -33.191 -7.742 -6.150 1.00 42.00 H new ATOM 0 HE1 MET A 123 -35.418 -6.185 -3.416 1.00 61.40 H new ATOM 0 HE2 MET A 123 -34.147 -7.367 -3.807 1.00 61.40 H new ATOM 0 HE3 MET A 123 -33.845 -5.628 -4.034 1.00 61.40 H new ATOM 1896 N LEU A 124 -32.283 -6.806 -9.597 1.00 33.14 N ATOM 1897 CA LEU A 124 -32.413 -6.385 -10.987 1.00 60.21 C ATOM 1898 C LEU A 124 -32.090 -4.888 -11.049 1.00 11.44 C ATOM 1899 O LEU A 124 -31.340 -4.481 -11.961 1.00 22.11 O ATOM 1900 CB LEU A 124 -33.851 -6.679 -11.453 1.00 60.14 C ATOM 1901 CG LEU A 124 -34.104 -6.369 -12.938 1.00 20.12 C ATOM 1902 CD1 LEU A 124 -33.304 -7.308 -13.850 1.00 0.25 C ATOM 1903 CD2 LEU A 124 -35.599 -6.550 -13.232 1.00 51.04 C ATOM 0 H LEU A 124 -33.076 -7.330 -9.226 1.00 33.14 H new ATOM 0 HA LEU A 124 -31.729 -6.921 -11.645 1.00 60.21 H new ATOM 0 HB2 LEU A 124 -34.074 -7.730 -11.269 1.00 60.14 H new ATOM 0 HB3 LEU A 124 -34.544 -6.095 -10.847 1.00 60.14 H new ATOM 0 HG LEU A 124 -33.787 -5.345 -13.135 1.00 20.12 H new ATOM 0 HD11 LEU A 124 -33.506 -7.062 -14.892 1.00 0.25 H new ATOM 0 HD12 LEU A 124 -32.239 -7.190 -13.649 1.00 0.25 H new ATOM 0 HD13 LEU A 124 -33.598 -8.340 -13.657 1.00 0.25 H new ATOM 0 HD21 LEU A 124 -35.792 -6.333 -14.283 1.00 51.04 H new ATOM 0 HD22 LEU A 124 -35.891 -7.577 -13.014 1.00 51.04 H new ATOM 0 HD23 LEU A 124 -36.178 -5.868 -12.608 1.00 51.04 H new TER 1915 LEU A 124