USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 971 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 61 ASN : amide:sc= 0.0678 K(o=0.56,f=-1.3) USER MOD Set 1.2: A 66 THR OG1 : rot 109:sc= 0.497 USER MOD Set 2.1: A 15 CYS SG : rot -170:sc= 0.646 USER MOD Set 2.2: A 17 THR OG1 : rot 89:sc= 0.862 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 33 THR OG1 : rot 79:sc= 1.15 USER MOD Single : A 1 GLY N :NH3+ -134:sc= -0.057 (180deg=-1.12) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 166:sc= 0 (180deg=-0.291) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 60:sc= 0.123 USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0055) USER MOD Single : A 14 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.1!) USER MOD Single : A 18 MET CE :methyl -162:sc= -0.973 (180deg=-1.71) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc=-0.00347 (180deg=-0.122) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.168 K(o=-0.17,f=-6.3!) USER MOD Single : A 32 TYR OH : rot 120:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= 0.23 K(o=0.23,f=-2.4!) USER MOD Single : A 37 TYR OH : rot 60:sc= -0.824 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 170:sc= -0.029 (180deg=-0.218) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.017) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0515 USER MOD Single : A 87 MET CE :methyl 148:sc= -1.5 (180deg=-2.4) USER MOD Single : A 90 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= -0.847 (180deg=-0.847) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.0283 X(o=-0.028,f=-0.028) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.238 8.607 -6.000 1.00 42.31 N ATOM 2 CA GLY A 1 -5.877 7.470 -6.826 1.00 53.12 C ATOM 3 C GLY A 1 -4.489 7.603 -7.420 1.00 15.32 C ATOM 4 O GLY A 1 -4.323 7.826 -8.621 1.00 30.13 O ATOM 0 H1 GLY A 1 -6.657 8.270 -5.110 1.00 42.31 H new ATOM 0 H2 GLY A 1 -5.388 9.169 -5.792 1.00 42.31 H new ATOM 0 H3 GLY A 1 -6.929 9.198 -6.505 1.00 42.31 H new ATOM 0 HA2 GLY A 1 -5.927 6.560 -6.228 1.00 53.12 H new ATOM 0 HA3 GLY A 1 -6.605 7.364 -7.631 1.00 53.12 H new ATOM 8 N PRO A 2 -3.460 7.467 -6.571 1.00 31.21 N ATOM 9 CA PRO A 2 -2.062 7.571 -6.997 1.00 52.14 C ATOM 10 C PRO A 2 -1.630 6.391 -7.862 1.00 61.23 C ATOM 11 O PRO A 2 -1.545 5.260 -7.387 1.00 11.13 O ATOM 12 CB PRO A 2 -1.288 7.576 -5.676 1.00 12.20 C ATOM 13 CG PRO A 2 -2.177 6.868 -4.712 1.00 2.10 C ATOM 14 CD PRO A 2 -3.584 7.199 -5.127 1.00 41.33 C ATOM 0 HA PRO A 2 -1.888 8.454 -7.612 1.00 52.14 H new ATOM 0 HB2 PRO A 2 -0.329 7.067 -5.777 1.00 12.20 H new ATOM 0 HB3 PRO A 2 -1.076 8.593 -5.345 1.00 12.20 H new ATOM 0 HG2 PRO A 2 -2.005 5.792 -4.740 1.00 2.10 H new ATOM 0 HG3 PRO A 2 -1.984 7.195 -3.690 1.00 2.10 H new ATOM 0 HD2 PRO A 2 -4.266 6.372 -4.929 1.00 41.33 H new ATOM 0 HD3 PRO A 2 -3.968 8.066 -4.589 1.00 41.33 H new ATOM 22 N GLY A 3 -1.358 6.665 -9.134 1.00 13.22 N ATOM 23 CA GLY A 3 -0.939 5.616 -10.046 1.00 45.42 C ATOM 24 C GLY A 3 -0.226 6.161 -11.267 1.00 62.35 C ATOM 25 O GLY A 3 -0.671 5.956 -12.396 1.00 22.31 O ATOM 0 H GLY A 3 -1.420 7.594 -9.550 1.00 13.22 H new ATOM 0 HA2 GLY A 3 -0.279 4.925 -9.522 1.00 45.42 H new ATOM 0 HA3 GLY A 3 -1.811 5.045 -10.363 1.00 45.42 H new ATOM 29 N SER A 4 0.883 6.857 -11.041 1.00 25.24 N ATOM 30 CA SER A 4 1.657 7.438 -12.133 1.00 42.22 C ATOM 31 C SER A 4 2.273 6.346 -13.003 1.00 24.33 C ATOM 32 O SER A 4 2.514 6.548 -14.193 1.00 52.03 O ATOM 33 CB SER A 4 2.757 8.345 -11.579 1.00 72.23 C ATOM 34 OG SER A 4 3.294 9.174 -12.596 1.00 52.43 O ATOM 0 H SER A 4 1.266 7.033 -10.112 1.00 25.24 H new ATOM 0 HA SER A 4 0.982 8.032 -12.749 1.00 42.22 H new ATOM 0 HB2 SER A 4 2.354 8.963 -10.777 1.00 72.23 H new ATOM 0 HB3 SER A 4 3.550 7.737 -11.145 1.00 72.23 H new ATOM 0 HG SER A 4 3.994 9.745 -12.217 1.00 52.43 H new ATOM 40 N MET A 5 2.524 5.189 -12.400 1.00 41.54 N ATOM 41 CA MET A 5 3.110 4.063 -13.120 1.00 62.03 C ATOM 42 C MET A 5 2.026 3.108 -13.611 1.00 45.23 C ATOM 43 O MET A 5 1.463 2.340 -12.832 1.00 4.24 O ATOM 44 CB MET A 5 4.097 3.315 -12.222 1.00 51.55 C ATOM 45 CG MET A 5 4.671 2.061 -12.862 1.00 30.02 C ATOM 46 SD MET A 5 6.312 1.650 -12.237 1.00 52.10 S ATOM 47 CE MET A 5 6.035 1.747 -10.471 1.00 3.41 C ATOM 0 H MET A 5 2.331 5.006 -11.415 1.00 41.54 H new ATOM 0 HA MET A 5 3.643 4.455 -13.986 1.00 62.03 H new ATOM 0 HB2 MET A 5 4.915 3.985 -11.958 1.00 51.55 H new ATOM 0 HB3 MET A 5 3.596 3.042 -11.293 1.00 51.55 H new ATOM 0 HG2 MET A 5 3.997 1.224 -12.680 1.00 30.02 H new ATOM 0 HG3 MET A 5 4.722 2.200 -13.942 1.00 30.02 H new ATOM 0 HE1 MET A 5 6.870 1.284 -9.946 1.00 3.41 H new ATOM 0 HE2 MET A 5 5.953 2.792 -10.172 1.00 3.41 H new ATOM 0 HE3 MET A 5 5.113 1.224 -10.218 1.00 3.41 H new ATOM 57 N SER A 6 1.740 3.163 -14.908 1.00 44.34 N ATOM 58 CA SER A 6 0.720 2.306 -15.502 1.00 64.43 C ATOM 59 C SER A 6 1.330 1.392 -16.561 1.00 62.14 C ATOM 60 O SER A 6 2.368 1.705 -17.144 1.00 73.31 O ATOM 61 CB SER A 6 -0.391 3.154 -16.121 1.00 31.11 C ATOM 62 OG SER A 6 0.111 4.395 -16.583 1.00 14.24 O ATOM 0 H SER A 6 2.200 3.791 -15.567 1.00 44.34 H new ATOM 0 HA SER A 6 0.295 1.686 -14.713 1.00 64.43 H new ATOM 0 HB2 SER A 6 -0.848 2.612 -16.949 1.00 31.11 H new ATOM 0 HB3 SER A 6 -1.174 3.327 -15.383 1.00 31.11 H new ATOM 0 HG SER A 6 -0.619 4.917 -16.976 1.00 14.24 H new ATOM 68 N VAL A 7 0.675 0.262 -16.806 1.00 10.34 N ATOM 69 CA VAL A 7 1.150 -0.698 -17.796 1.00 2.44 C ATOM 70 C VAL A 7 0.053 -1.041 -18.798 1.00 5.32 C ATOM 71 O VAL A 7 -1.084 -1.324 -18.420 1.00 24.25 O ATOM 72 CB VAL A 7 1.645 -1.994 -17.129 1.00 52.12 C ATOM 73 CG1 VAL A 7 0.503 -2.694 -16.409 1.00 54.24 C ATOM 74 CG2 VAL A 7 2.281 -2.914 -18.159 1.00 43.52 C ATOM 0 H VAL A 7 -0.186 -0.012 -16.333 1.00 10.34 H new ATOM 0 HA VAL A 7 1.982 -0.228 -18.319 1.00 2.44 H new ATOM 0 HB VAL A 7 2.403 -1.735 -16.390 1.00 52.12 H new ATOM 0 HG11 VAL A 7 0.872 -3.608 -15.944 1.00 54.24 H new ATOM 0 HG12 VAL A 7 0.098 -2.034 -15.642 1.00 54.24 H new ATOM 0 HG13 VAL A 7 -0.281 -2.942 -17.125 1.00 54.24 H new ATOM 0 HG21 VAL A 7 2.625 -3.825 -17.670 1.00 43.52 H new ATOM 0 HG22 VAL A 7 1.546 -3.168 -18.923 1.00 43.52 H new ATOM 0 HG23 VAL A 7 3.128 -2.409 -18.624 1.00 43.52 H new ATOM 84 N THR A 8 0.403 -1.017 -20.081 1.00 15.13 N ATOM 85 CA THR A 8 -0.552 -1.324 -21.139 1.00 55.12 C ATOM 86 C THR A 8 -0.145 -2.584 -21.896 1.00 32.31 C ATOM 87 O THR A 8 1.020 -2.755 -22.254 1.00 11.22 O ATOM 88 CB THR A 8 -0.680 -0.158 -22.137 1.00 32.32 C ATOM 89 OG1 THR A 8 -1.103 1.027 -21.453 1.00 2.03 O ATOM 90 CG2 THR A 8 -1.674 -0.496 -23.238 1.00 55.11 C ATOM 0 H THR A 8 1.340 -0.788 -20.412 1.00 15.13 H new ATOM 0 HA THR A 8 -1.516 -1.487 -20.658 1.00 55.12 H new ATOM 0 HB THR A 8 0.296 0.013 -22.590 1.00 32.32 H new ATOM 0 HG1 THR A 8 -1.180 1.765 -22.094 1.00 2.03 H new ATOM 0 HG21 THR A 8 -1.748 0.342 -23.931 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.335 -1.382 -23.775 1.00 55.11 H new ATOM 0 HG23 THR A 8 -2.652 -0.690 -22.798 1.00 55.11 H new ATOM 98 N ILE A 9 -1.113 -3.463 -22.135 1.00 40.31 N ATOM 99 CA ILE A 9 -0.856 -4.706 -22.852 1.00 3.44 C ATOM 100 C ILE A 9 -1.590 -4.733 -24.187 1.00 62.44 C ATOM 101 O ILE A 9 -2.753 -4.335 -24.277 1.00 5.32 O ATOM 102 CB ILE A 9 -1.277 -5.932 -22.020 1.00 0.54 C ATOM 103 CG1 ILE A 9 -1.073 -7.216 -22.828 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.728 -5.800 -21.581 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.361 -8.475 -22.041 1.00 32.30 C ATOM 0 H ILE A 9 -2.082 -3.337 -21.843 1.00 40.31 H new ATOM 0 HA ILE A 9 0.218 -4.751 -23.032 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.652 -5.982 -21.129 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.718 -7.190 -23.706 1.00 33.21 H new ATOM 0 HG13 ILE A 9 -0.045 -7.250 -23.189 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -3.011 -6.674 -20.994 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -2.844 -4.902 -20.974 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.369 -5.730 -22.460 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -1.196 -9.346 -22.675 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.698 -8.524 -21.177 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.397 -8.464 -21.703 1.00 32.30 H new ATOM 117 N TYR A 10 -0.907 -5.207 -25.223 1.00 4.54 N ATOM 118 CA TYR A 10 -1.495 -5.286 -26.555 1.00 30.24 C ATOM 119 C TYR A 10 -1.711 -6.738 -26.970 1.00 22.21 C ATOM 120 O TYR A 10 -0.828 -7.580 -26.810 1.00 41.11 O ATOM 121 CB TYR A 10 -0.597 -4.582 -27.574 1.00 22.32 C ATOM 122 CG TYR A 10 -0.477 -3.092 -27.347 1.00 34.41 C ATOM 123 CD1 TYR A 10 0.261 -2.588 -26.283 1.00 54.11 C ATOM 124 CD2 TYR A 10 -1.102 -2.188 -28.197 1.00 15.21 C ATOM 125 CE1 TYR A 10 0.372 -1.228 -26.072 1.00 20.31 C ATOM 126 CE2 TYR A 10 -0.995 -0.825 -27.994 1.00 22.30 C ATOM 127 CZ TYR A 10 -0.257 -0.350 -26.930 1.00 60.44 C ATOM 128 OH TYR A 10 -0.148 1.006 -26.724 1.00 41.33 O ATOM 0 H TYR A 10 0.055 -5.542 -25.166 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.464 -4.787 -26.527 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.397 -5.028 -27.539 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -0.990 -4.758 -28.575 1.00 22.32 H new ATOM 0 HD1 TYR A 10 0.756 -3.272 -25.610 1.00 54.11 H new ATOM 0 HD2 TYR A 10 -1.681 -2.557 -29.031 1.00 15.21 H new ATOM 0 HE1 TYR A 10 0.949 -0.853 -25.239 1.00 20.31 H new ATOM 0 HE2 TYR A 10 -1.486 -0.136 -28.665 1.00 22.30 H new ATOM 0 HH TYR A 10 0.795 1.269 -26.766 1.00 41.33 H new ATOM 138 N GLY A 11 -2.894 -7.024 -27.503 1.00 41.24 N ATOM 139 CA GLY A 11 -3.208 -8.374 -27.934 1.00 3.41 C ATOM 140 C GLY A 11 -4.457 -8.435 -28.791 1.00 42.14 C ATOM 141 O GLY A 11 -4.918 -7.414 -29.302 1.00 61.14 O ATOM 0 H GLY A 11 -3.642 -6.345 -27.644 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -2.366 -8.777 -28.496 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -3.341 -9.010 -27.059 1.00 3.41 H new ATOM 145 N ILE A 12 -5.006 -9.635 -28.949 1.00 0.23 N ATOM 146 CA ILE A 12 -6.209 -9.824 -29.750 1.00 21.20 C ATOM 147 C ILE A 12 -7.192 -10.757 -29.053 1.00 0.25 C ATOM 148 O ILE A 12 -6.902 -11.298 -27.986 1.00 72.24 O ATOM 149 CB ILE A 12 -5.874 -10.395 -31.141 1.00 70.51 C ATOM 150 CG1 ILE A 12 -5.192 -11.757 -31.007 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.989 -9.427 -31.913 1.00 63.31 C ATOM 152 CD1 ILE A 12 -5.049 -12.494 -32.321 1.00 42.40 C ATOM 0 H ILE A 12 -4.637 -10.490 -28.533 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.667 -8.842 -29.870 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.803 -10.528 -31.695 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -4.204 -11.618 -30.569 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -5.764 -12.374 -30.314 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -4.761 -9.845 -32.894 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -5.509 -8.477 -32.035 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -4.062 -9.265 -31.364 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -4.557 -13.451 -32.150 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -6.036 -12.665 -32.751 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -4.451 -11.897 -33.010 1.00 42.40 H new ATOM 164 N LYS A 13 -8.357 -10.944 -29.665 1.00 73.52 N ATOM 165 CA LYS A 13 -9.384 -11.815 -29.107 1.00 71.53 C ATOM 166 C LYS A 13 -9.271 -13.225 -29.677 1.00 42.41 C ATOM 167 O LYS A 13 -9.684 -14.196 -29.043 1.00 70.40 O ATOM 168 CB LYS A 13 -10.775 -11.248 -29.396 1.00 10.01 C ATOM 169 CG LYS A 13 -11.906 -12.087 -28.825 1.00 12.21 C ATOM 170 CD LYS A 13 -13.264 -11.494 -29.159 1.00 11.45 C ATOM 171 CE LYS A 13 -14.320 -11.915 -28.146 1.00 71.10 C ATOM 172 NZ LYS A 13 -14.567 -13.383 -28.182 1.00 71.14 N ATOM 0 H LYS A 13 -8.613 -10.503 -30.548 1.00 73.52 H new ATOM 0 HA LYS A 13 -9.235 -11.865 -28.028 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.839 -10.240 -28.986 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.906 -11.163 -30.475 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -11.844 -13.101 -29.220 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -11.796 -12.160 -27.743 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -13.192 -10.407 -29.181 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -13.567 -11.814 -30.156 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -14.000 -11.625 -27.145 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -15.250 -11.385 -28.349 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -15.316 -13.626 -27.502 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -14.864 -13.662 -29.139 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -13.694 -13.888 -27.930 1.00 71.14 H new ATOM 186 N ASN A 14 -8.706 -13.332 -30.875 1.00 14.55 N ATOM 187 CA ASN A 14 -8.537 -14.624 -31.528 1.00 43.33 C ATOM 188 C ASN A 14 -7.242 -15.294 -31.082 1.00 4.54 C ATOM 189 O ASN A 14 -6.403 -15.661 -31.907 1.00 13.15 O ATOM 190 CB ASN A 14 -8.538 -14.453 -33.049 1.00 12.44 C ATOM 191 CG ASN A 14 -8.729 -15.769 -33.778 1.00 1.15 C ATOM 192 OD1 ASN A 14 -8.667 -16.840 -33.176 1.00 11.24 O ATOM 193 ND2 ASN A 14 -8.962 -15.694 -35.084 1.00 4.23 N ATOM 0 H ASN A 14 -8.357 -12.539 -31.413 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.373 -15.261 -31.239 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -9.333 -13.764 -33.334 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -7.597 -14.001 -33.362 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -9.098 -16.546 -35.628 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -9.005 -14.784 -35.543 1.00 4.23 H new ATOM 200 N CYS A 15 -7.085 -15.452 -29.772 1.00 13.42 N ATOM 201 CA CYS A 15 -5.891 -16.079 -29.216 1.00 5.12 C ATOM 202 C CYS A 15 -6.172 -16.644 -27.827 1.00 45.42 C ATOM 203 O CYS A 15 -6.845 -16.013 -27.013 1.00 62.11 O ATOM 204 CB CYS A 15 -4.746 -15.069 -29.146 1.00 22.14 C ATOM 205 SG CYS A 15 -3.231 -15.721 -28.400 1.00 2.24 S ATOM 0 H CYS A 15 -7.769 -15.155 -29.076 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.602 -16.900 -29.872 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -4.521 -14.720 -30.154 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -5.075 -14.201 -28.575 1.00 22.14 H new ATOM 0 HG CYS A 15 -2.395 -14.747 -28.193 1.00 2.24 H new ATOM 211 N ASP A 16 -5.654 -17.839 -27.565 1.00 14.03 N ATOM 212 CA ASP A 16 -5.849 -18.490 -26.275 1.00 11.23 C ATOM 213 C ASP A 16 -4.827 -17.995 -25.255 1.00 34.34 C ATOM 214 O ASP A 16 -5.133 -17.857 -24.070 1.00 45.12 O ATOM 215 CB ASP A 16 -5.742 -20.009 -26.425 1.00 50.21 C ATOM 216 CG ASP A 16 -6.264 -20.496 -27.763 1.00 54.43 C ATOM 217 OD1 ASP A 16 -5.466 -20.567 -28.720 1.00 34.14 O ATOM 218 OD2 ASP A 16 -7.469 -20.809 -27.850 1.00 34.04 O ATOM 0 H ASP A 16 -5.096 -18.376 -28.229 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.846 -18.236 -25.916 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -4.700 -20.310 -26.313 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -6.301 -20.491 -25.623 1.00 50.21 H new ATOM 223 N THR A 17 -3.613 -17.729 -25.724 1.00 62.21 N ATOM 224 CA THR A 17 -2.545 -17.251 -24.854 1.00 10.24 C ATOM 225 C THR A 17 -3.002 -16.052 -24.032 1.00 43.54 C ATOM 226 O THR A 17 -2.725 -15.965 -22.836 1.00 32.13 O ATOM 227 CB THR A 17 -1.294 -16.858 -25.663 1.00 64.53 C ATOM 228 OG1 THR A 17 -1.188 -17.680 -26.830 1.00 51.14 O ATOM 229 CG2 THR A 17 -0.037 -17.002 -24.819 1.00 13.05 C ATOM 0 H THR A 17 -3.344 -17.836 -26.702 1.00 62.21 H new ATOM 0 HA THR A 17 -2.291 -18.073 -24.184 1.00 10.24 H new ATOM 0 HB THR A 17 -1.394 -15.815 -25.962 1.00 64.53 H new ATOM 0 HG1 THR A 17 -1.684 -17.267 -27.567 1.00 51.14 H new ATOM 0 HG21 THR A 17 0.833 -16.719 -25.411 1.00 13.05 H new ATOM 0 HG22 THR A 17 -0.109 -16.353 -23.946 1.00 13.05 H new ATOM 0 HG23 THR A 17 0.066 -18.037 -24.494 1.00 13.05 H new ATOM 237 N MET A 18 -3.704 -15.128 -24.681 1.00 61.22 N ATOM 238 CA MET A 18 -4.201 -13.933 -24.008 1.00 4.42 C ATOM 239 C MET A 18 -4.970 -14.302 -22.743 1.00 72.34 C ATOM 240 O MET A 18 -4.758 -13.717 -21.681 1.00 54.40 O ATOM 241 CB MET A 18 -5.099 -13.129 -24.948 1.00 41.43 C ATOM 242 CG MET A 18 -4.382 -12.628 -26.192 1.00 42.31 C ATOM 243 SD MET A 18 -3.048 -11.479 -25.810 1.00 61.21 S ATOM 244 CE MET A 18 -3.927 -10.244 -24.855 1.00 35.43 C ATOM 0 H MET A 18 -3.941 -15.184 -25.671 1.00 61.22 H new ATOM 0 HA MET A 18 -3.344 -13.322 -23.726 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.943 -13.749 -25.250 1.00 41.43 H new ATOM 0 HB3 MET A 18 -5.508 -12.276 -24.406 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.977 -13.479 -26.741 1.00 42.31 H new ATOM 0 HG3 MET A 18 -5.101 -12.138 -26.848 1.00 42.31 H new ATOM 0 HE1 MET A 18 -3.339 -9.327 -24.817 1.00 35.43 H new ATOM 0 HE2 MET A 18 -4.889 -10.039 -25.324 1.00 35.43 H new ATOM 0 HE3 MET A 18 -4.088 -10.614 -23.842 1.00 35.43 H new ATOM 254 N LYS A 19 -5.865 -15.277 -22.864 1.00 34.45 N ATOM 255 CA LYS A 19 -6.666 -15.726 -21.730 1.00 44.21 C ATOM 256 C LYS A 19 -5.782 -16.033 -20.527 1.00 43.12 C ATOM 257 O LYS A 19 -6.023 -15.542 -19.424 1.00 22.52 O ATOM 258 CB LYS A 19 -7.476 -16.967 -22.112 1.00 42.21 C ATOM 259 CG LYS A 19 -8.789 -17.091 -21.359 1.00 0.44 C ATOM 260 CD LYS A 19 -9.186 -18.545 -21.165 1.00 30.12 C ATOM 261 CE LYS A 19 -10.456 -18.672 -20.338 1.00 54.50 C ATOM 262 NZ LYS A 19 -11.623 -18.041 -21.014 1.00 12.14 N ATOM 0 H LYS A 19 -6.054 -15.772 -23.736 1.00 34.45 H new ATOM 0 HA LYS A 19 -7.350 -14.922 -21.459 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -7.681 -16.941 -23.182 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.874 -17.856 -21.924 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -8.700 -16.605 -20.388 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -9.574 -16.569 -21.906 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -9.335 -19.015 -22.137 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -8.375 -19.082 -20.673 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -10.667 -19.726 -20.157 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -10.304 -18.205 -19.365 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -12.494 -18.279 -20.497 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -11.500 -17.008 -21.028 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -11.692 -18.395 -21.990 1.00 12.14 H new ATOM 276 N LYS A 20 -4.756 -16.849 -20.745 1.00 34.44 N ATOM 277 CA LYS A 20 -3.833 -17.220 -19.679 1.00 13.54 C ATOM 278 C LYS A 20 -3.125 -15.990 -19.119 1.00 54.33 C ATOM 279 O LYS A 20 -2.927 -15.874 -17.910 1.00 71.32 O ATOM 280 CB LYS A 20 -2.800 -18.224 -20.198 1.00 51.40 C ATOM 281 CG LYS A 20 -3.416 -19.467 -20.815 1.00 41.13 C ATOM 282 CD LYS A 20 -2.442 -20.633 -20.811 1.00 21.45 C ATOM 283 CE LYS A 20 -2.758 -21.627 -21.919 1.00 33.50 C ATOM 284 NZ LYS A 20 -3.853 -22.559 -21.533 1.00 30.33 N ATOM 0 H LYS A 20 -4.543 -17.266 -21.651 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.410 -17.682 -18.877 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -2.171 -17.734 -20.941 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -2.150 -18.521 -19.375 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -4.315 -19.741 -20.263 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -3.723 -19.252 -21.838 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -1.425 -20.260 -20.935 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -2.481 -21.138 -19.846 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -3.043 -21.086 -22.821 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -1.862 -22.199 -22.160 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -4.038 -23.220 -22.314 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -3.571 -23.094 -20.687 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -4.716 -22.015 -21.328 1.00 30.33 H new ATOM 298 N ALA A 21 -2.749 -15.074 -20.006 1.00 53.12 N ATOM 299 CA ALA A 21 -2.067 -13.853 -19.599 1.00 1.22 C ATOM 300 C ALA A 21 -2.896 -13.074 -18.583 1.00 43.50 C ATOM 301 O ALA A 21 -2.407 -12.719 -17.510 1.00 22.15 O ATOM 302 CB ALA A 21 -1.768 -12.985 -20.813 1.00 20.30 C ATOM 0 H ALA A 21 -2.906 -15.155 -21.011 1.00 53.12 H new ATOM 0 HA ALA A 21 -1.126 -14.133 -19.125 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -1.258 -12.076 -20.494 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -1.130 -13.535 -21.505 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -2.701 -12.722 -21.311 1.00 20.30 H new ATOM 308 N ARG A 22 -4.153 -12.811 -18.928 1.00 25.34 N ATOM 309 CA ARG A 22 -5.049 -12.073 -18.046 1.00 62.34 C ATOM 310 C ARG A 22 -5.262 -12.824 -16.735 1.00 32.15 C ATOM 311 O ARG A 22 -5.180 -12.241 -15.654 1.00 70.51 O ATOM 312 CB ARG A 22 -6.394 -11.834 -18.734 1.00 44.13 C ATOM 313 CG ARG A 22 -6.426 -10.577 -19.588 1.00 55.33 C ATOM 314 CD ARG A 22 -5.310 -10.575 -20.621 1.00 32.33 C ATOM 315 NE ARG A 22 -4.065 -10.037 -20.080 1.00 60.44 N ATOM 316 CZ ARG A 22 -3.897 -8.761 -19.751 1.00 11.23 C ATOM 317 NH1 ARG A 22 -4.892 -7.897 -19.906 1.00 3.41 N ATOM 318 NH2 ARG A 22 -2.734 -8.347 -19.264 1.00 10.54 N ATOM 0 H ARG A 22 -4.573 -13.098 -19.812 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.587 -11.111 -17.823 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.630 -12.694 -19.360 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -7.174 -11.768 -17.975 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -7.390 -10.503 -20.092 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -6.333 -9.699 -18.949 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -5.142 -11.592 -20.975 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -5.616 -9.984 -21.484 1.00 32.33 H new ATOM 0 HE ARG A 22 -3.281 -10.676 -19.947 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -5.788 -8.212 -20.278 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -4.761 -6.918 -19.653 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -1.968 -9.009 -19.142 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -2.607 -7.367 -19.012 1.00 10.54 H new ATOM 332 N ILE A 23 -5.538 -14.120 -16.840 1.00 34.41 N ATOM 333 CA ILE A 23 -5.763 -14.950 -15.662 1.00 74.45 C ATOM 334 C ILE A 23 -4.574 -14.886 -14.710 1.00 44.23 C ATOM 335 O ILE A 23 -4.743 -14.871 -13.491 1.00 42.13 O ATOM 336 CB ILE A 23 -6.018 -16.418 -16.050 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.252 -16.524 -16.949 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.190 -17.273 -14.804 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.209 -17.701 -17.898 1.00 52.43 C ATOM 0 H ILE A 23 -5.611 -14.618 -17.727 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.647 -14.556 -15.161 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.155 -16.787 -16.604 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.141 -16.604 -16.324 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.350 -15.605 -17.527 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.370 -18.308 -15.095 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.286 -17.218 -14.197 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -7.038 -16.906 -14.225 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.115 -17.713 -18.504 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.339 -17.612 -18.548 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.142 -18.627 -17.327 1.00 52.43 H new ATOM 351 N TRP A 24 -3.372 -14.847 -15.275 1.00 31.51 N ATOM 352 CA TRP A 24 -2.154 -14.784 -14.474 1.00 62.05 C ATOM 353 C TRP A 24 -2.029 -13.432 -13.780 1.00 74.25 C ATOM 354 O TRP A 24 -1.898 -13.361 -12.557 1.00 4.31 O ATOM 355 CB TRP A 24 -0.929 -15.035 -15.354 1.00 3.42 C ATOM 356 CG TRP A 24 0.199 -15.702 -14.626 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.484 -17.037 -14.602 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.191 -15.063 -13.813 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.593 -17.268 -13.825 1.00 71.32 N ATOM 360 CE2 TRP A 24 2.046 -16.073 -13.330 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.440 -13.738 -13.449 1.00 41.34 C ATOM 362 CZ2 TRP A 24 3.129 -15.797 -12.501 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.517 -13.465 -12.626 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.351 -14.490 -12.161 1.00 64.41 C ATOM 0 H TRP A 24 -3.215 -14.858 -16.283 1.00 31.51 H new ATOM 0 HA TRP A 24 -2.209 -15.559 -13.710 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.221 -15.654 -16.202 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.580 -14.085 -15.758 1.00 3.42 H new ATOM 0 HD1 TRP A 24 -0.080 -17.800 -15.118 1.00 42.14 H new ATOM 0 HE1 TRP A 24 2.011 -18.181 -13.646 1.00 71.32 H new ATOM 0 HE3 TRP A 24 0.803 -12.941 -13.804 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 3.771 -16.586 -12.139 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.719 -12.444 -12.337 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.186 -14.244 -11.521 1.00 64.41 H new ATOM 375 N LEU A 25 -2.071 -12.363 -14.565 1.00 11.33 N ATOM 376 CA LEU A 25 -1.963 -11.011 -14.026 1.00 44.32 C ATOM 377 C LEU A 25 -3.049 -10.752 -12.988 1.00 51.32 C ATOM 378 O LEU A 25 -2.791 -10.159 -11.941 1.00 43.22 O ATOM 379 CB LEU A 25 -2.060 -9.981 -15.152 1.00 70.24 C ATOM 380 CG LEU A 25 -0.744 -9.605 -15.834 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.231 -9.018 -14.826 1.00 21.14 C ATOM 382 CD2 LEU A 25 -0.136 -10.818 -16.524 1.00 3.23 C ATOM 0 H LEU A 25 -2.179 -12.405 -15.578 1.00 11.33 H new ATOM 0 HA LEU A 25 -0.992 -10.916 -13.541 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.742 -10.365 -15.910 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.509 -9.073 -14.749 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.952 -8.848 -16.590 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.162 -8.757 -15.330 1.00 21.14 H new ATOM 0 HD12 LEU A 25 -0.203 -8.124 -14.378 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.434 -9.752 -14.046 1.00 21.14 H new ATOM 0 HD21 LEU A 25 0.800 -10.532 -17.004 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.057 -11.597 -15.787 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.829 -11.194 -17.276 1.00 3.23 H new ATOM 394 N GLU A 26 -4.265 -11.201 -13.285 1.00 61.23 N ATOM 395 CA GLU A 26 -5.390 -11.018 -12.376 1.00 64.31 C ATOM 396 C GLU A 26 -5.175 -11.795 -11.081 1.00 74.22 C ATOM 397 O GLU A 26 -5.371 -11.265 -9.986 1.00 53.23 O ATOM 398 CB GLU A 26 -6.692 -11.467 -13.043 1.00 32.45 C ATOM 399 CG GLU A 26 -7.261 -10.448 -14.016 1.00 31.13 C ATOM 400 CD GLU A 26 -8.208 -9.469 -13.349 1.00 44.21 C ATOM 401 OE1 GLU A 26 -7.938 -9.078 -12.193 1.00 13.03 O ATOM 402 OE2 GLU A 26 -9.216 -9.094 -13.981 1.00 61.24 O ATOM 0 H GLU A 26 -4.496 -11.694 -14.148 1.00 61.23 H new ATOM 0 HA GLU A 26 -5.461 -9.957 -12.136 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -6.515 -12.403 -13.573 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -7.433 -11.673 -12.271 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -6.442 -9.897 -14.479 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -7.787 -10.969 -14.816 1.00 31.13 H new ATOM 409 N ASP A 27 -4.771 -13.053 -11.213 1.00 34.31 N ATOM 410 CA ASP A 27 -4.528 -13.904 -10.053 1.00 72.41 C ATOM 411 C ASP A 27 -3.460 -13.297 -9.148 1.00 33.14 C ATOM 412 O ASP A 27 -3.559 -13.366 -7.922 1.00 3.11 O ATOM 413 CB ASP A 27 -4.101 -15.302 -10.501 1.00 42.32 C ATOM 414 CG ASP A 27 -3.709 -16.189 -9.335 1.00 63.52 C ATOM 415 OD1 ASP A 27 -4.380 -16.117 -8.285 1.00 45.10 O ATOM 416 OD2 ASP A 27 -2.730 -16.953 -9.474 1.00 71.12 O ATOM 0 H ASP A 27 -4.605 -13.507 -12.111 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.457 -13.980 -9.487 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -4.918 -15.769 -11.051 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.260 -15.219 -11.189 1.00 42.32 H new ATOM 421 N HIS A 28 -2.440 -12.705 -9.759 1.00 21.13 N ATOM 422 CA HIS A 28 -1.353 -12.087 -9.008 1.00 13.54 C ATOM 423 C HIS A 28 -1.820 -10.798 -8.338 1.00 43.42 C ATOM 424 O HIS A 28 -1.171 -10.293 -7.423 1.00 0.32 O ATOM 425 CB HIS A 28 -0.169 -11.795 -9.931 1.00 14.43 C ATOM 426 CG HIS A 28 1.117 -11.563 -9.199 1.00 55.54 C ATOM 427 ND1 HIS A 28 1.459 -10.347 -8.645 1.00 12.03 N ATOM 428 CD2 HIS A 28 2.146 -12.400 -8.930 1.00 71.45 C ATOM 429 CE1 HIS A 28 2.643 -10.446 -8.068 1.00 24.52 C ATOM 430 NE2 HIS A 28 3.082 -11.682 -8.227 1.00 21.13 N ATOM 0 H HIS A 28 -2.343 -12.640 -10.772 1.00 21.13 H new ATOM 0 HA HIS A 28 -1.037 -12.785 -8.233 1.00 13.54 H new ATOM 0 HB2 HIS A 28 -0.040 -12.631 -10.619 1.00 14.43 H new ATOM 0 HB3 HIS A 28 -0.397 -10.917 -10.535 1.00 14.43 H new ATOM 0 HD2 HIS A 28 2.218 -13.439 -9.215 1.00 71.45 H new ATOM 0 HE1 HIS A 28 3.164 -9.652 -7.554 1.00 24.52 H new ATOM 0 HE2 HIS A 28 3.972 -12.044 -7.883 1.00 21.13 H new ATOM 438 N GLY A 29 -2.950 -10.271 -8.800 1.00 43.32 N ATOM 439 CA GLY A 29 -3.483 -9.046 -8.235 1.00 61.30 C ATOM 440 C GLY A 29 -2.875 -7.807 -8.859 1.00 13.24 C ATOM 441 O GLY A 29 -2.733 -6.777 -8.198 1.00 52.32 O ATOM 0 H GLY A 29 -3.506 -10.671 -9.556 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -4.564 -9.026 -8.374 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -3.299 -9.035 -7.161 1.00 61.30 H new ATOM 445 N ILE A 30 -2.512 -7.905 -10.134 1.00 54.44 N ATOM 446 CA ILE A 30 -1.914 -6.782 -10.846 1.00 74.22 C ATOM 447 C ILE A 30 -2.893 -6.184 -11.850 1.00 61.31 C ATOM 448 O ILE A 30 -3.738 -6.889 -12.404 1.00 14.22 O ATOM 449 CB ILE A 30 -0.630 -7.204 -11.586 1.00 33.02 C ATOM 450 CG1 ILE A 30 0.306 -7.959 -10.639 1.00 74.32 C ATOM 451 CG2 ILE A 30 0.069 -5.985 -12.169 1.00 52.12 C ATOM 452 CD1 ILE A 30 1.537 -8.511 -11.320 1.00 25.45 C ATOM 0 H ILE A 30 -2.622 -8.750 -10.695 1.00 54.44 H new ATOM 0 HA ILE A 30 -1.662 -6.031 -10.097 1.00 74.22 H new ATOM 0 HB ILE A 30 -0.902 -7.870 -12.405 1.00 33.02 H new ATOM 0 HG12 ILE A 30 0.614 -7.290 -9.836 1.00 74.32 H new ATOM 0 HG13 ILE A 30 -0.243 -8.780 -10.177 1.00 74.32 H new ATOM 0 HG21 ILE A 30 0.974 -6.299 -12.689 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -0.598 -5.484 -12.871 1.00 52.12 H new ATOM 0 HG23 ILE A 30 0.332 -5.297 -11.365 1.00 52.12 H new ATOM 0 HD11 ILE A 30 2.154 -9.033 -10.589 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.238 -9.206 -12.105 1.00 25.45 H new ATOM 0 HD13 ILE A 30 2.108 -7.693 -11.758 1.00 25.45 H new ATOM 464 N ASP A 31 -2.772 -4.882 -12.082 1.00 75.12 N ATOM 465 CA ASP A 31 -3.645 -4.189 -13.023 1.00 21.24 C ATOM 466 C ASP A 31 -2.944 -3.978 -14.360 1.00 75.12 C ATOM 467 O ASP A 31 -1.795 -3.536 -14.408 1.00 63.43 O ATOM 468 CB ASP A 31 -4.085 -2.843 -12.446 1.00 24.41 C ATOM 469 CG ASP A 31 -5.131 -2.992 -11.359 1.00 12.42 C ATOM 470 OD1 ASP A 31 -5.009 -3.931 -10.544 1.00 60.30 O ATOM 471 OD2 ASP A 31 -6.072 -2.172 -11.322 1.00 24.32 O ATOM 0 H ASP A 31 -2.078 -4.285 -11.632 1.00 75.12 H new ATOM 0 HA ASP A 31 -4.525 -4.810 -13.189 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -3.216 -2.323 -12.041 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -4.484 -2.221 -13.247 1.00 24.41 H new ATOM 476 N TYR A 32 -3.641 -4.298 -15.445 1.00 1.34 N ATOM 477 CA TYR A 32 -3.083 -4.147 -16.784 1.00 14.55 C ATOM 478 C TYR A 32 -4.132 -3.611 -17.753 1.00 23.04 C ATOM 479 O TYR A 32 -5.289 -4.032 -17.732 1.00 43.04 O ATOM 480 CB TYR A 32 -2.544 -5.487 -17.289 1.00 44.01 C ATOM 481 CG TYR A 32 -1.062 -5.672 -17.049 1.00 2.43 C ATOM 482 CD1 TYR A 32 -0.557 -5.780 -15.759 1.00 2.21 C ATOM 483 CD2 TYR A 32 -0.169 -5.739 -18.110 1.00 41.42 C ATOM 484 CE1 TYR A 32 0.797 -5.949 -15.534 1.00 1.10 C ATOM 485 CE2 TYR A 32 1.185 -5.909 -17.895 1.00 0.12 C ATOM 486 CZ TYR A 32 1.662 -6.013 -16.605 1.00 70.01 C ATOM 487 OH TYR A 32 3.011 -6.181 -16.386 1.00 34.31 O ATOM 0 H TYR A 32 -4.593 -4.663 -15.424 1.00 1.34 H new ATOM 0 HA TYR A 32 -2.263 -3.430 -16.730 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -3.087 -6.295 -16.799 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -2.744 -5.570 -18.357 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -1.233 -5.731 -14.918 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -0.539 -5.657 -19.121 1.00 41.42 H new ATOM 0 HE1 TYR A 32 1.174 -6.030 -14.525 1.00 1.10 H new ATOM 0 HE2 TYR A 32 1.866 -5.960 -18.732 1.00 0.12 H new ATOM 0 HH TYR A 32 3.312 -7.008 -16.818 1.00 34.31 H new ATOM 497 N THR A 33 -3.718 -2.678 -18.605 1.00 12.42 N ATOM 498 CA THR A 33 -4.621 -2.082 -19.583 1.00 70.00 C ATOM 499 C THR A 33 -4.739 -2.956 -20.826 1.00 44.51 C ATOM 500 O THR A 33 -3.794 -3.075 -21.606 1.00 22.54 O ATOM 501 CB THR A 33 -4.147 -0.677 -20.001 1.00 0.30 C ATOM 502 OG1 THR A 33 -3.479 -0.039 -18.907 1.00 62.20 O ATOM 503 CG2 THR A 33 -5.322 0.178 -20.451 1.00 52.41 C ATOM 0 H THR A 33 -2.764 -2.319 -18.638 1.00 12.42 H new ATOM 0 HA THR A 33 -5.597 -2.001 -19.105 1.00 70.00 H new ATOM 0 HB THR A 33 -3.454 -0.785 -20.836 1.00 0.30 H new ATOM 0 HG1 THR A 33 -2.566 -0.387 -18.833 1.00 62.20 H new ATOM 0 HG21 THR A 33 -4.963 1.165 -20.741 1.00 52.41 H new ATOM 0 HG22 THR A 33 -5.811 -0.295 -21.302 1.00 52.41 H new ATOM 0 HG23 THR A 33 -6.035 0.277 -19.632 1.00 52.41 H new ATOM 511 N PHE A 34 -5.906 -3.566 -21.005 1.00 20.02 N ATOM 512 CA PHE A 34 -6.148 -4.431 -22.155 1.00 51.35 C ATOM 513 C PHE A 34 -6.396 -3.605 -23.413 1.00 63.42 C ATOM 514 O PHE A 34 -7.366 -2.850 -23.493 1.00 51.44 O ATOM 515 CB PHE A 34 -7.343 -5.347 -21.887 1.00 74.40 C ATOM 516 CG PHE A 34 -7.762 -6.151 -23.086 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.827 -6.863 -23.819 1.00 15.04 C ATOM 518 CD2 PHE A 34 -9.090 -6.195 -23.477 1.00 54.34 C ATOM 519 CE1 PHE A 34 -7.208 -7.604 -24.922 1.00 11.43 C ATOM 520 CE2 PHE A 34 -9.478 -6.934 -24.579 1.00 31.14 C ATOM 521 CZ PHE A 34 -8.536 -7.639 -25.303 1.00 71.33 C ATOM 0 H PHE A 34 -6.699 -3.478 -20.369 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.260 -5.042 -22.313 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -7.094 -6.027 -21.072 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.186 -4.743 -21.552 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.788 -6.839 -23.525 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.831 -5.646 -22.915 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -6.469 -8.155 -25.485 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -10.517 -6.960 -24.874 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.837 -8.216 -26.165 1.00 71.33 H new ATOM 531 N HIS A 35 -5.513 -3.754 -24.396 1.00 30.12 N ATOM 532 CA HIS A 35 -5.636 -3.022 -25.652 1.00 4.21 C ATOM 533 C HIS A 35 -5.630 -3.979 -26.840 1.00 71.42 C ATOM 534 O HIS A 35 -4.696 -4.762 -27.015 1.00 23.35 O ATOM 535 CB HIS A 35 -4.497 -2.011 -25.791 1.00 32.13 C ATOM 536 CG HIS A 35 -4.827 -0.659 -25.238 1.00 2.30 C ATOM 537 ND1 HIS A 35 -5.801 -0.452 -24.283 1.00 73.35 N ATOM 538 CD2 HIS A 35 -4.306 0.561 -25.511 1.00 54.12 C ATOM 539 CE1 HIS A 35 -5.864 0.835 -23.993 1.00 51.22 C ATOM 540 NE2 HIS A 35 -4.967 1.472 -24.724 1.00 32.22 N ATOM 0 H HIS A 35 -4.705 -4.375 -24.347 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.586 -2.488 -25.642 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.614 -2.398 -25.281 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -4.238 -1.910 -26.845 1.00 32.13 H new ATOM 0 HD1 HIS A 35 -6.382 -1.179 -23.866 1.00 73.35 H new ATOM 0 HD2 HIS A 35 -3.517 0.777 -26.216 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -6.535 1.289 -23.279 1.00 51.22 H new ATOM 548 N ASP A 36 -6.678 -3.910 -27.654 1.00 25.23 N ATOM 549 CA ASP A 36 -6.793 -4.769 -28.826 1.00 42.21 C ATOM 550 C ASP A 36 -6.145 -4.118 -30.044 1.00 1.23 C ATOM 551 O ASP A 36 -6.381 -2.944 -30.332 1.00 31.51 O ATOM 552 CB ASP A 36 -8.263 -5.075 -29.117 1.00 24.32 C ATOM 553 CG ASP A 36 -8.735 -6.348 -28.443 1.00 34.45 C ATOM 554 OD1 ASP A 36 -7.957 -7.324 -28.410 1.00 21.31 O ATOM 555 OD2 ASP A 36 -9.882 -6.370 -27.950 1.00 70.42 O ATOM 0 H ASP A 36 -7.460 -3.268 -27.523 1.00 25.23 H new ATOM 0 HA ASP A 36 -6.270 -5.702 -28.615 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.878 -4.240 -28.781 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.406 -5.163 -30.194 1.00 24.32 H new ATOM 560 N TYR A 37 -5.327 -4.886 -30.754 1.00 30.14 N ATOM 561 CA TYR A 37 -4.643 -4.382 -31.939 1.00 33.02 C ATOM 562 C TYR A 37 -5.642 -3.853 -32.962 1.00 52.25 C ATOM 563 O TYR A 37 -5.415 -2.819 -33.592 1.00 44.22 O ATOM 564 CB TYR A 37 -3.788 -5.485 -32.567 1.00 4.33 C ATOM 565 CG TYR A 37 -2.466 -5.701 -31.866 1.00 34.33 C ATOM 566 CD1 TYR A 37 -1.386 -4.860 -32.104 1.00 30.14 C ATOM 567 CD2 TYR A 37 -2.298 -6.746 -30.965 1.00 74.22 C ATOM 568 CE1 TYR A 37 -0.176 -5.055 -31.466 1.00 74.45 C ATOM 569 CE2 TYR A 37 -1.092 -6.946 -30.322 1.00 34.11 C ATOM 570 CZ TYR A 37 -0.034 -6.099 -30.576 1.00 12.12 C ATOM 571 OH TYR A 37 1.169 -6.295 -29.938 1.00 41.03 O ATOM 0 H TYR A 37 -5.121 -5.860 -30.530 1.00 30.14 H new ATOM 0 HA TYR A 37 -3.997 -3.560 -31.632 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -4.351 -6.418 -32.558 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.599 -5.236 -33.611 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -1.494 -4.040 -32.799 1.00 30.14 H new ATOM 0 HD2 TYR A 37 -3.124 -7.412 -30.764 1.00 74.22 H new ATOM 0 HE1 TYR A 37 0.654 -4.393 -31.663 1.00 74.45 H new ATOM 0 HE2 TYR A 37 -0.978 -7.762 -29.624 1.00 34.11 H new ATOM 0 HH TYR A 37 1.393 -5.500 -29.411 1.00 41.03 H new ATOM 581 N LYS A 38 -6.750 -4.568 -33.123 1.00 0.11 N ATOM 582 CA LYS A 38 -7.787 -4.171 -34.068 1.00 54.34 C ATOM 583 C LYS A 38 -8.612 -3.013 -33.515 1.00 63.30 C ATOM 584 O LYS A 38 -8.809 -2.002 -34.188 1.00 51.11 O ATOM 585 CB LYS A 38 -8.701 -5.358 -34.382 1.00 63.31 C ATOM 586 CG LYS A 38 -9.451 -5.217 -35.694 1.00 54.42 C ATOM 587 CD LYS A 38 -8.658 -5.797 -36.854 1.00 63.40 C ATOM 588 CE LYS A 38 -7.741 -4.756 -37.478 1.00 74.30 C ATOM 589 NZ LYS A 38 -7.257 -5.177 -38.822 1.00 30.43 N ATOM 0 H LYS A 38 -6.953 -5.426 -32.611 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.301 -3.842 -34.986 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.103 -6.269 -34.411 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.421 -5.475 -33.572 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -10.413 -5.724 -35.620 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -9.659 -4.164 -35.884 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -8.066 -6.643 -36.504 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -9.344 -6.179 -37.610 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -8.273 -3.808 -37.564 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -6.888 -4.584 -36.822 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -6.635 -4.441 -39.213 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -6.728 -6.068 -38.737 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -8.070 -5.316 -39.456 1.00 30.43 H new ATOM 603 N LYS A 39 -9.089 -3.167 -32.285 1.00 13.11 N ATOM 604 CA LYS A 39 -9.891 -2.133 -31.640 1.00 43.13 C ATOM 605 C LYS A 39 -9.156 -0.797 -31.639 1.00 2.14 C ATOM 606 O LYS A 39 -9.729 0.236 -31.985 1.00 41.33 O ATOM 607 CB LYS A 39 -10.229 -2.542 -30.205 1.00 74.40 C ATOM 608 CG LYS A 39 -11.414 -1.793 -29.621 1.00 14.42 C ATOM 609 CD LYS A 39 -11.659 -2.179 -28.172 1.00 32.52 C ATOM 610 CE LYS A 39 -12.778 -1.352 -27.557 1.00 13.12 C ATOM 611 NZ LYS A 39 -12.985 -1.682 -26.120 1.00 4.24 N ATOM 0 H LYS A 39 -8.934 -3.998 -31.714 1.00 13.11 H new ATOM 0 HA LYS A 39 -10.815 -2.019 -32.206 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -10.438 -3.611 -30.181 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -9.357 -2.374 -29.573 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -11.236 -0.720 -29.687 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -12.306 -2.005 -30.211 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -11.913 -3.237 -28.114 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -10.743 -2.039 -27.597 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -12.543 -0.292 -27.656 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -13.703 -1.526 -28.107 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -13.755 -1.098 -25.737 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -13.234 -2.687 -26.027 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -12.110 -1.492 -25.591 1.00 4.24 H new ATOM 625 N GLU A 40 -7.886 -0.825 -31.249 1.00 43.23 N ATOM 626 CA GLU A 40 -7.073 0.385 -31.205 1.00 30.23 C ATOM 627 C GLU A 40 -6.881 0.962 -32.605 1.00 71.01 C ATOM 628 O GLU A 40 -7.125 2.145 -32.839 1.00 70.35 O ATOM 629 CB GLU A 40 -5.713 0.089 -30.571 1.00 33.12 C ATOM 630 CG GLU A 40 -5.131 1.265 -29.804 1.00 71.13 C ATOM 631 CD GLU A 40 -4.299 2.180 -30.680 1.00 51.30 C ATOM 632 OE1 GLU A 40 -3.716 1.687 -31.668 1.00 43.15 O ATOM 633 OE2 GLU A 40 -4.231 3.389 -30.377 1.00 11.55 O ATOM 0 H GLU A 40 -7.398 -1.672 -30.959 1.00 43.23 H new ATOM 0 HA GLU A 40 -7.596 1.122 -30.596 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -5.813 -0.761 -29.896 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -5.013 -0.206 -31.353 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -5.942 1.838 -29.355 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -4.514 0.891 -28.987 1.00 71.13 H new ATOM 640 N GLY A 41 -6.439 0.117 -33.532 1.00 12.45 N ATOM 641 CA GLY A 41 -6.220 0.561 -34.896 1.00 0.44 C ATOM 642 C GLY A 41 -4.749 0.698 -35.232 1.00 54.13 C ATOM 643 O GLY A 41 -4.040 1.508 -34.631 1.00 32.21 O ATOM 0 H GLY A 41 -6.229 -0.867 -33.362 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -6.682 -0.147 -35.584 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -6.715 1.521 -35.046 1.00 0.44 H new ATOM 647 N LEU A 42 -4.286 -0.095 -36.191 1.00 61.22 N ATOM 648 CA LEU A 42 -2.888 -0.060 -36.606 1.00 32.11 C ATOM 649 C LEU A 42 -2.737 0.632 -37.956 1.00 60.11 C ATOM 650 O LEU A 42 -3.382 0.254 -38.935 1.00 61.12 O ATOM 651 CB LEU A 42 -2.322 -1.480 -36.681 1.00 31.00 C ATOM 652 CG LEU A 42 -1.628 -1.993 -35.419 1.00 10.43 C ATOM 653 CD1 LEU A 42 -0.449 -1.103 -35.058 1.00 61.11 C ATOM 654 CD2 LEU A 42 -2.614 -2.072 -34.263 1.00 25.43 C ATOM 0 H LEU A 42 -4.859 -0.771 -36.697 1.00 61.22 H new ATOM 0 HA LEU A 42 -2.329 0.509 -35.863 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -3.136 -2.162 -36.926 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -1.611 -1.523 -37.506 1.00 31.00 H new ATOM 0 HG LEU A 42 -1.251 -2.996 -35.617 1.00 10.43 H new ATOM 0 HD11 LEU A 42 0.032 -1.484 -34.157 1.00 61.11 H new ATOM 0 HD12 LEU A 42 0.268 -1.099 -35.879 1.00 61.11 H new ATOM 0 HD13 LEU A 42 -0.801 -0.087 -34.879 1.00 61.11 H new ATOM 0 HD21 LEU A 42 -2.103 -2.439 -33.373 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -3.022 -1.081 -34.064 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -3.425 -2.753 -34.522 1.00 25.43 H new ATOM 666 N ASP A 43 -1.880 1.647 -38.003 1.00 24.10 N ATOM 667 CA ASP A 43 -1.641 2.390 -39.234 1.00 33.24 C ATOM 668 C ASP A 43 -0.156 2.405 -39.581 1.00 21.14 C ATOM 669 O ASP A 43 0.671 1.884 -38.833 1.00 4.53 O ATOM 670 CB ASP A 43 -2.161 3.821 -39.100 1.00 14.14 C ATOM 671 CG ASP A 43 -2.620 4.398 -40.424 1.00 53.01 C ATOM 672 OD1 ASP A 43 -3.584 3.855 -41.006 1.00 4.11 O ATOM 673 OD2 ASP A 43 -2.018 5.392 -40.880 1.00 52.23 O ATOM 0 H ASP A 43 -1.339 1.974 -37.202 1.00 24.10 H new ATOM 0 HA ASP A 43 -2.178 1.891 -40.040 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -2.990 3.838 -38.393 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -1.375 4.452 -38.685 1.00 14.14 H new ATOM 678 N ALA A 44 0.175 3.005 -40.720 1.00 11.33 N ATOM 679 CA ALA A 44 1.561 3.088 -41.165 1.00 41.31 C ATOM 680 C ALA A 44 2.441 3.734 -40.100 1.00 2.35 C ATOM 681 O ALA A 44 3.499 3.209 -39.755 1.00 3.31 O ATOM 682 CB ALA A 44 1.650 3.866 -42.469 1.00 54.41 C ATOM 0 H ALA A 44 -0.498 3.441 -41.351 1.00 11.33 H new ATOM 0 HA ALA A 44 1.925 2.074 -41.334 1.00 41.31 H new ATOM 0 HB1 ALA A 44 2.690 3.920 -42.790 1.00 54.41 H new ATOM 0 HB2 ALA A 44 1.060 3.362 -43.234 1.00 54.41 H new ATOM 0 HB3 ALA A 44 1.264 4.874 -42.318 1.00 54.41 H new ATOM 688 N GLU A 45 1.997 4.877 -39.586 1.00 21.11 N ATOM 689 CA GLU A 45 2.747 5.594 -38.562 1.00 32.33 C ATOM 690 C GLU A 45 3.072 4.680 -37.385 1.00 22.11 C ATOM 691 O GLU A 45 4.224 4.582 -36.958 1.00 3.32 O ATOM 692 CB GLU A 45 1.954 6.809 -38.075 1.00 25.10 C ATOM 693 CG GLU A 45 2.807 7.848 -37.367 1.00 65.44 C ATOM 694 CD GLU A 45 3.166 7.442 -35.950 1.00 54.25 C ATOM 695 OE1 GLU A 45 2.304 7.577 -35.057 1.00 35.42 O ATOM 696 OE2 GLU A 45 4.310 6.989 -35.736 1.00 31.22 O ATOM 0 H GLU A 45 1.123 5.325 -39.862 1.00 21.11 H new ATOM 0 HA GLU A 45 3.683 5.934 -39.005 1.00 32.33 H new ATOM 0 HB2 GLU A 45 1.461 7.276 -38.927 1.00 25.10 H new ATOM 0 HB3 GLU A 45 1.169 6.472 -37.398 1.00 25.10 H new ATOM 0 HG2 GLU A 45 3.722 8.011 -37.937 1.00 65.44 H new ATOM 0 HG3 GLU A 45 2.272 8.797 -37.344 1.00 65.44 H new ATOM 703 N THR A 46 2.049 4.012 -36.862 1.00 73.34 N ATOM 704 CA THR A 46 2.224 3.107 -35.733 1.00 14.20 C ATOM 705 C THR A 46 3.219 2.000 -36.064 1.00 20.44 C ATOM 706 O THR A 46 4.154 1.744 -35.304 1.00 51.10 O ATOM 707 CB THR A 46 0.886 2.469 -35.311 1.00 72.32 C ATOM 708 OG1 THR A 46 -0.163 3.441 -35.378 1.00 61.33 O ATOM 709 CG2 THR A 46 0.975 1.907 -33.901 1.00 1.32 C ATOM 0 H THR A 46 1.090 4.081 -37.202 1.00 73.34 H new ATOM 0 HA THR A 46 2.610 3.704 -34.907 1.00 14.20 H new ATOM 0 HB THR A 46 0.667 1.651 -35.997 1.00 72.32 H new ATOM 0 HG1 THR A 46 -1.010 3.027 -35.110 1.00 61.33 H new ATOM 0 HG21 THR A 46 0.019 1.462 -33.626 1.00 1.32 H new ATOM 0 HG22 THR A 46 1.754 1.146 -33.861 1.00 1.32 H new ATOM 0 HG23 THR A 46 1.216 2.710 -33.204 1.00 1.32 H new ATOM 717 N LEU A 47 3.013 1.347 -37.203 1.00 41.05 N ATOM 718 CA LEU A 47 3.895 0.268 -37.636 1.00 30.54 C ATOM 719 C LEU A 47 5.347 0.733 -37.673 1.00 4.21 C ATOM 720 O LEU A 47 6.220 0.124 -37.054 1.00 62.44 O ATOM 721 CB LEU A 47 3.474 -0.237 -39.017 1.00 40.43 C ATOM 722 CG LEU A 47 3.636 -1.738 -39.260 1.00 30.21 C ATOM 723 CD1 LEU A 47 5.102 -2.136 -39.182 1.00 72.53 C ATOM 724 CD2 LEU A 47 2.811 -2.533 -38.259 1.00 35.34 C ATOM 0 H LEU A 47 2.244 1.546 -37.843 1.00 41.05 H new ATOM 0 HA LEU A 47 3.812 -0.547 -36.917 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.428 0.026 -39.175 1.00 40.43 H new ATOM 0 HB3 LEU A 47 4.054 0.297 -39.770 1.00 40.43 H new ATOM 0 HG LEU A 47 3.272 -1.966 -40.262 1.00 30.21 H new ATOM 0 HD11 LEU A 47 5.198 -3.208 -39.357 1.00 72.53 H new ATOM 0 HD12 LEU A 47 5.667 -1.592 -39.939 1.00 72.53 H new ATOM 0 HD13 LEU A 47 5.493 -1.894 -38.194 1.00 72.53 H new ATOM 0 HD21 LEU A 47 2.939 -3.599 -38.447 1.00 35.34 H new ATOM 0 HD22 LEU A 47 3.144 -2.301 -37.247 1.00 35.34 H new ATOM 0 HD23 LEU A 47 1.759 -2.270 -38.364 1.00 35.34 H new ATOM 736 N ASP A 48 5.598 1.815 -38.400 1.00 1.01 N ATOM 737 CA ASP A 48 6.944 2.364 -38.515 1.00 1.33 C ATOM 738 C ASP A 48 7.548 2.615 -37.138 1.00 4.12 C ATOM 739 O ASP A 48 8.690 2.238 -36.871 1.00 45.52 O ATOM 740 CB ASP A 48 6.922 3.664 -39.321 1.00 15.35 C ATOM 741 CG ASP A 48 8.273 3.995 -39.924 1.00 42.32 C ATOM 742 OD1 ASP A 48 9.259 3.308 -39.585 1.00 12.50 O ATOM 743 OD2 ASP A 48 8.344 4.940 -40.736 1.00 70.50 O ATOM 0 H ASP A 48 4.887 2.330 -38.919 1.00 1.01 H new ATOM 0 HA ASP A 48 7.563 1.634 -39.036 1.00 1.33 H new ATOM 0 HB2 ASP A 48 6.182 3.582 -40.117 1.00 15.35 H new ATOM 0 HB3 ASP A 48 6.605 4.483 -38.675 1.00 15.35 H new ATOM 748 N ARG A 49 6.775 3.255 -36.266 1.00 40.22 N ATOM 749 CA ARG A 49 7.235 3.559 -34.916 1.00 24.55 C ATOM 750 C ARG A 49 7.657 2.287 -34.186 1.00 53.00 C ATOM 751 O ARG A 49 8.679 2.262 -33.501 1.00 73.52 O ATOM 752 CB ARG A 49 6.134 4.270 -34.127 1.00 41.24 C ATOM 753 CG ARG A 49 6.608 4.843 -32.802 1.00 35.00 C ATOM 754 CD ARG A 49 5.569 5.773 -32.194 1.00 53.11 C ATOM 755 NE ARG A 49 5.807 6.005 -30.772 1.00 73.43 N ATOM 756 CZ ARG A 49 4.887 6.479 -29.940 1.00 12.33 C ATOM 757 NH1 ARG A 49 3.672 6.770 -30.387 1.00 1.45 N ATOM 758 NH2 ARG A 49 5.179 6.663 -28.659 1.00 21.11 N ATOM 0 H ARG A 49 5.828 3.573 -36.470 1.00 40.22 H new ATOM 0 HA ARG A 49 8.100 4.217 -34.994 1.00 24.55 H new ATOM 0 HB2 ARG A 49 5.725 5.076 -34.736 1.00 41.24 H new ATOM 0 HB3 ARG A 49 5.322 3.568 -33.940 1.00 41.24 H new ATOM 0 HG2 ARG A 49 6.821 4.030 -32.108 1.00 35.00 H new ATOM 0 HG3 ARG A 49 7.541 5.386 -32.952 1.00 35.00 H new ATOM 0 HD2 ARG A 49 5.581 6.726 -32.724 1.00 53.11 H new ATOM 0 HD3 ARG A 49 4.576 5.345 -32.330 1.00 53.11 H new ATOM 0 HE ARG A 49 6.731 5.791 -30.397 1.00 73.43 H new ATOM 0 HH11 ARG A 49 3.443 6.630 -31.371 1.00 1.45 H new ATOM 0 HH12 ARG A 49 2.967 7.134 -29.746 1.00 1.45 H new ATOM 0 HH21 ARG A 49 6.112 6.440 -28.311 1.00 21.11 H new ATOM 0 HH22 ARG A 49 4.471 7.027 -28.022 1.00 21.11 H new ATOM 772 N PHE A 50 6.862 1.232 -34.337 1.00 52.05 N ATOM 773 CA PHE A 50 7.153 -0.042 -33.692 1.00 23.30 C ATOM 774 C PHE A 50 8.353 -0.722 -34.344 1.00 71.14 C ATOM 775 O PHE A 50 9.067 -1.494 -33.704 1.00 40.10 O ATOM 776 CB PHE A 50 5.932 -0.963 -33.760 1.00 63.44 C ATOM 777 CG PHE A 50 4.956 -0.747 -32.640 1.00 22.12 C ATOM 778 CD1 PHE A 50 5.329 -0.971 -31.325 1.00 32.42 C ATOM 779 CD2 PHE A 50 3.663 -0.320 -32.902 1.00 14.32 C ATOM 780 CE1 PHE A 50 4.432 -0.774 -30.292 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.762 -0.122 -31.874 1.00 41.31 C ATOM 782 CZ PHE A 50 3.147 -0.348 -30.567 1.00 24.45 C ATOM 0 H PHE A 50 6.012 1.235 -34.900 1.00 52.05 H new ATOM 0 HA PHE A 50 7.394 0.156 -32.647 1.00 23.30 H new ATOM 0 HB2 PHE A 50 5.422 -0.808 -34.711 1.00 63.44 H new ATOM 0 HB3 PHE A 50 6.268 -2.000 -33.744 1.00 63.44 H new ATOM 0 HD1 PHE A 50 6.333 -1.304 -31.104 1.00 32.42 H new ATOM 0 HD2 PHE A 50 3.357 -0.140 -33.922 1.00 14.32 H new ATOM 0 HE1 PHE A 50 4.735 -0.953 -29.271 1.00 14.22 H new ATOM 0 HE2 PHE A 50 1.757 0.209 -32.092 1.00 41.31 H new ATOM 0 HZ PHE A 50 2.445 -0.192 -29.761 1.00 24.45 H new ATOM 792 N LEU A 51 8.568 -0.429 -35.622 1.00 22.50 N ATOM 793 CA LEU A 51 9.682 -1.011 -36.363 1.00 0.23 C ATOM 794 C LEU A 51 11.011 -0.419 -35.903 1.00 53.31 C ATOM 795 O LEU A 51 11.898 -1.140 -35.446 1.00 22.12 O ATOM 796 CB LEU A 51 9.499 -0.779 -37.864 1.00 24.51 C ATOM 797 CG LEU A 51 10.155 -1.805 -38.787 1.00 22.33 C ATOM 798 CD1 LEU A 51 11.666 -1.785 -38.620 1.00 70.24 C ATOM 799 CD2 LEU A 51 9.606 -3.198 -38.513 1.00 23.22 C ATOM 0 H LEU A 51 7.986 0.208 -36.166 1.00 22.50 H new ATOM 0 HA LEU A 51 9.696 -2.083 -36.167 1.00 0.23 H new ATOM 0 HB2 LEU A 51 8.431 -0.756 -38.080 1.00 24.51 H new ATOM 0 HB3 LEU A 51 9.895 0.206 -38.110 1.00 24.51 H new ATOM 0 HG LEU A 51 9.920 -1.539 -39.818 1.00 22.33 H new ATOM 0 HD11 LEU A 51 12.115 -2.522 -39.285 1.00 70.24 H new ATOM 0 HD12 LEU A 51 12.046 -0.794 -38.867 1.00 70.24 H new ATOM 0 HD13 LEU A 51 11.921 -2.025 -37.588 1.00 70.24 H new ATOM 0 HD21 LEU A 51 10.085 -3.915 -39.180 1.00 23.22 H new ATOM 0 HD22 LEU A 51 9.810 -3.472 -37.478 1.00 23.22 H new ATOM 0 HD23 LEU A 51 8.530 -3.205 -38.685 1.00 23.22 H new ATOM 811 N LYS A 52 11.140 0.897 -36.028 1.00 72.22 N ATOM 812 CA LYS A 52 12.359 1.587 -35.623 1.00 13.04 C ATOM 813 C LYS A 52 12.701 1.279 -34.168 1.00 1.22 C ATOM 814 O LYS A 52 13.871 1.267 -33.784 1.00 22.51 O ATOM 815 CB LYS A 52 12.200 3.098 -35.811 1.00 14.41 C ATOM 816 CG LYS A 52 13.440 3.775 -36.369 1.00 64.25 C ATOM 817 CD LYS A 52 13.295 5.287 -36.376 1.00 12.02 C ATOM 818 CE LYS A 52 14.644 5.978 -36.252 1.00 32.31 C ATOM 819 NZ LYS A 52 15.242 6.268 -37.585 1.00 13.43 N ATOM 0 H LYS A 52 10.416 1.507 -36.406 1.00 72.22 H new ATOM 0 HA LYS A 52 13.174 1.232 -36.253 1.00 13.04 H new ATOM 0 HB2 LYS A 52 11.361 3.286 -36.481 1.00 14.41 H new ATOM 0 HB3 LYS A 52 11.950 3.551 -34.852 1.00 14.41 H new ATOM 0 HG2 LYS A 52 14.308 3.495 -35.772 1.00 64.25 H new ATOM 0 HG3 LYS A 52 13.623 3.422 -37.384 1.00 64.25 H new ATOM 0 HD2 LYS A 52 12.807 5.602 -37.298 1.00 12.02 H new ATOM 0 HD3 LYS A 52 12.650 5.595 -35.553 1.00 12.02 H new ATOM 0 HE2 LYS A 52 14.526 6.908 -35.696 1.00 32.31 H new ATOM 0 HE3 LYS A 52 15.324 5.348 -35.678 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 16.161 6.739 -37.458 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 15.378 5.378 -38.105 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 14.605 6.890 -38.123 1.00 13.43 H new ATOM 833 N THR A 53 11.673 1.029 -33.363 1.00 24.20 N ATOM 834 CA THR A 53 11.865 0.720 -31.952 1.00 34.52 C ATOM 835 C THR A 53 12.164 -0.761 -31.749 1.00 21.14 C ATOM 836 O THR A 53 12.904 -1.136 -30.840 1.00 72.44 O ATOM 837 CB THR A 53 10.625 1.100 -31.120 1.00 24.53 C ATOM 838 OG1 THR A 53 10.306 2.481 -31.321 1.00 13.12 O ATOM 839 CG2 THR A 53 10.866 0.840 -29.641 1.00 64.44 C ATOM 0 H THR A 53 10.699 1.035 -33.665 1.00 24.20 H new ATOM 0 HA THR A 53 12.716 1.310 -31.612 1.00 34.52 H new ATOM 0 HB THR A 53 9.789 0.483 -31.450 1.00 24.53 H new ATOM 0 HG1 THR A 53 9.686 2.567 -32.075 1.00 13.12 H new ATOM 0 HG21 THR A 53 9.977 1.116 -29.074 1.00 64.44 H new ATOM 0 HG22 THR A 53 11.081 -0.218 -29.488 1.00 64.44 H new ATOM 0 HG23 THR A 53 11.713 1.435 -29.300 1.00 64.44 H new ATOM 847 N VAL A 54 11.586 -1.599 -32.603 1.00 5.34 N ATOM 848 CA VAL A 54 11.792 -3.040 -32.518 1.00 43.11 C ATOM 849 C VAL A 54 11.747 -3.684 -33.899 1.00 50.42 C ATOM 850 O VAL A 54 10.858 -3.416 -34.708 1.00 41.32 O ATOM 851 CB VAL A 54 10.735 -3.707 -31.618 1.00 32.21 C ATOM 852 CG1 VAL A 54 10.978 -5.206 -31.528 1.00 15.02 C ATOM 853 CG2 VAL A 54 10.738 -3.075 -30.235 1.00 51.22 C ATOM 0 H VAL A 54 10.971 -1.305 -33.362 1.00 5.34 H new ATOM 0 HA VAL A 54 12.779 -3.193 -32.081 1.00 43.11 H new ATOM 0 HB VAL A 54 9.753 -3.549 -32.063 1.00 32.21 H new ATOM 0 HG11 VAL A 54 10.221 -5.659 -30.888 1.00 15.02 H new ATOM 0 HG12 VAL A 54 10.921 -5.644 -32.524 1.00 15.02 H new ATOM 0 HG13 VAL A 54 11.967 -5.390 -31.107 1.00 15.02 H new ATOM 0 HG21 VAL A 54 9.985 -3.558 -29.612 1.00 51.22 H new ATOM 0 HG22 VAL A 54 11.720 -3.200 -29.780 1.00 51.22 H new ATOM 0 HG23 VAL A 54 10.511 -2.012 -30.320 1.00 51.22 H new ATOM 863 N PRO A 55 12.728 -4.555 -34.179 1.00 2.25 N ATOM 864 CA PRO A 55 12.822 -5.257 -35.461 1.00 2.03 C ATOM 865 C PRO A 55 11.719 -6.294 -35.638 1.00 74.41 C ATOM 866 O PRO A 55 11.372 -7.011 -34.700 1.00 51.24 O ATOM 867 CB PRO A 55 14.191 -5.939 -35.393 1.00 33.24 C ATOM 868 CG PRO A 55 14.459 -6.105 -33.937 1.00 34.23 C ATOM 869 CD PRO A 55 13.820 -4.923 -33.262 1.00 62.25 C ATOM 0 HA PRO A 55 12.710 -4.577 -36.306 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.180 -6.901 -35.906 1.00 33.24 H new ATOM 0 HB3 PRO A 55 14.960 -5.332 -35.870 1.00 33.24 H new ATOM 0 HG2 PRO A 55 14.039 -7.040 -33.567 1.00 34.23 H new ATOM 0 HG3 PRO A 55 15.530 -6.136 -33.738 1.00 34.23 H new ATOM 0 HD2 PRO A 55 13.444 -5.181 -32.272 1.00 62.25 H new ATOM 0 HD3 PRO A 55 14.528 -4.104 -33.131 1.00 62.25 H new ATOM 877 N TRP A 56 11.170 -6.368 -36.845 1.00 2.13 N ATOM 878 CA TRP A 56 10.104 -7.318 -37.144 1.00 72.32 C ATOM 879 C TRP A 56 10.530 -8.740 -36.797 1.00 33.30 C ATOM 880 O TRP A 56 9.693 -9.593 -36.504 1.00 54.31 O ATOM 881 CB TRP A 56 9.718 -7.235 -38.622 1.00 43.12 C ATOM 882 CG TRP A 56 10.898 -7.261 -39.546 1.00 71.25 C ATOM 883 CD1 TRP A 56 11.554 -6.184 -40.068 1.00 71.41 C ATOM 884 CD2 TRP A 56 11.558 -8.423 -40.060 1.00 63.01 C ATOM 885 NE1 TRP A 56 12.584 -6.606 -40.875 1.00 11.50 N ATOM 886 CE2 TRP A 56 12.607 -7.975 -40.886 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.366 -9.798 -39.900 1.00 64.22 C ATOM 888 CZ2 TRP A 56 13.459 -8.855 -41.549 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.211 -10.669 -40.559 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.248 -10.195 -41.375 1.00 14.15 C ATOM 0 H TRP A 56 11.445 -5.782 -37.633 1.00 2.13 H new ATOM 0 HA TRP A 56 9.238 -7.058 -36.535 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.057 -8.067 -38.865 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.153 -6.319 -38.792 1.00 43.12 H new ATOM 0 HD1 TRP A 56 11.301 -5.152 -39.875 1.00 71.41 H new ATOM 0 HE1 TRP A 56 13.227 -5.998 -41.383 1.00 11.50 H new ATOM 0 HE3 TRP A 56 10.571 -10.173 -39.272 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 14.258 -8.492 -42.178 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 12.071 -11.734 -40.444 1.00 44.31 H new ATOM 0 HH2 TRP A 56 13.893 -10.902 -41.876 1.00 14.15 H new ATOM 901 N GLU A 57 11.836 -8.987 -36.831 1.00 24.51 N ATOM 902 CA GLU A 57 12.371 -10.307 -36.519 1.00 64.15 C ATOM 903 C GLU A 57 11.937 -10.756 -35.127 1.00 74.11 C ATOM 904 O GLU A 57 11.741 -11.945 -34.880 1.00 43.02 O ATOM 905 CB GLU A 57 13.898 -10.298 -36.612 1.00 44.32 C ATOM 906 CG GLU A 57 14.570 -9.512 -35.499 1.00 74.32 C ATOM 907 CD GLU A 57 15.863 -8.856 -35.946 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.323 -9.156 -37.068 1.00 73.32 O ATOM 909 OE2 GLU A 57 16.413 -8.043 -35.174 1.00 35.22 O ATOM 0 H GLU A 57 12.542 -8.291 -37.071 1.00 24.51 H new ATOM 0 HA GLU A 57 11.974 -11.013 -37.249 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.261 -11.326 -36.590 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.193 -9.876 -37.573 1.00 44.32 H new ATOM 0 HG2 GLU A 57 13.885 -8.746 -35.136 1.00 74.32 H new ATOM 0 HG3 GLU A 57 14.776 -10.179 -34.662 1.00 74.32 H new ATOM 916 N GLN A 58 11.792 -9.794 -34.221 1.00 73.33 N ATOM 917 CA GLN A 58 11.384 -10.090 -32.852 1.00 13.45 C ATOM 918 C GLN A 58 10.112 -9.331 -32.488 1.00 24.32 C ATOM 919 O GLN A 58 9.872 -9.023 -31.320 1.00 52.14 O ATOM 920 CB GLN A 58 12.503 -9.731 -31.874 1.00 52.31 C ATOM 921 CG GLN A 58 13.672 -10.704 -31.904 1.00 2.22 C ATOM 922 CD GLN A 58 14.402 -10.778 -30.578 1.00 73.04 C ATOM 923 OE1 GLN A 58 14.459 -9.800 -29.831 1.00 12.51 O ATOM 924 NE2 GLN A 58 14.966 -11.942 -30.277 1.00 11.14 N ATOM 0 H GLN A 58 11.951 -8.804 -34.410 1.00 73.33 H new ATOM 0 HA GLN A 58 11.181 -11.159 -32.783 1.00 13.45 H new ATOM 0 HB2 GLN A 58 12.868 -8.730 -32.104 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.095 -9.697 -30.864 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.307 -11.696 -32.170 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.372 -10.402 -32.683 1.00 2.22 H new ATOM 0 HE21 GLN A 58 14.894 -12.726 -30.925 1.00 11.14 H new ATOM 0 HE22 GLN A 58 15.471 -12.052 -29.398 1.00 11.14 H new ATOM 933 N LEU A 59 9.299 -9.032 -33.495 1.00 41.15 N ATOM 934 CA LEU A 59 8.050 -8.308 -33.281 1.00 23.12 C ATOM 935 C LEU A 59 6.848 -9.177 -33.637 1.00 51.11 C ATOM 936 O LEU A 59 5.770 -9.031 -33.061 1.00 4.12 O ATOM 937 CB LEU A 59 8.031 -7.025 -34.114 1.00 20.44 C ATOM 938 CG LEU A 59 6.993 -5.978 -33.711 1.00 33.41 C ATOM 939 CD1 LEU A 59 7.555 -5.050 -32.647 1.00 5.54 C ATOM 940 CD2 LEU A 59 6.537 -5.184 -34.927 1.00 61.44 C ATOM 0 H LEU A 59 9.482 -9.279 -34.468 1.00 41.15 H new ATOM 0 HA LEU A 59 7.987 -8.048 -32.224 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.019 -6.567 -34.062 1.00 20.44 H new ATOM 0 HB3 LEU A 59 7.860 -7.295 -35.156 1.00 20.44 H new ATOM 0 HG LEU A 59 6.129 -6.494 -33.293 1.00 33.41 H new ATOM 0 HD11 LEU A 59 6.801 -4.312 -32.373 1.00 5.54 H new ATOM 0 HD12 LEU A 59 7.831 -5.631 -31.767 1.00 5.54 H new ATOM 0 HD13 LEU A 59 8.437 -4.541 -33.037 1.00 5.54 H new ATOM 0 HD21 LEU A 59 5.798 -4.443 -34.622 1.00 61.44 H new ATOM 0 HD22 LEU A 59 7.393 -4.679 -35.374 1.00 61.44 H new ATOM 0 HD23 LEU A 59 6.092 -5.860 -35.657 1.00 61.44 H new ATOM 952 N LEU A 60 7.042 -10.083 -34.590 1.00 55.45 N ATOM 953 CA LEU A 60 5.975 -10.979 -35.022 1.00 62.31 C ATOM 954 C LEU A 60 6.335 -12.433 -34.736 1.00 44.10 C ATOM 955 O LEU A 60 7.506 -12.810 -34.764 1.00 61.30 O ATOM 956 CB LEU A 60 5.702 -10.793 -36.517 1.00 44.32 C ATOM 957 CG LEU A 60 6.670 -11.497 -37.468 1.00 11.04 C ATOM 958 CD1 LEU A 60 5.971 -12.636 -38.194 1.00 41.24 C ATOM 959 CD2 LEU A 60 7.253 -10.506 -38.464 1.00 71.44 C ATOM 0 H LEU A 60 7.928 -10.216 -35.078 1.00 55.45 H new ATOM 0 HA LEU A 60 5.075 -10.731 -34.460 1.00 62.31 H new ATOM 0 HB2 LEU A 60 4.693 -11.148 -36.729 1.00 44.32 H new ATOM 0 HB3 LEU A 60 5.718 -9.726 -36.739 1.00 44.32 H new ATOM 0 HG LEU A 60 7.487 -11.915 -36.880 1.00 11.04 H new ATOM 0 HD11 LEU A 60 6.675 -13.125 -38.867 1.00 41.24 H new ATOM 0 HD12 LEU A 60 5.602 -13.359 -37.467 1.00 41.24 H new ATOM 0 HD13 LEU A 60 5.134 -12.241 -38.770 1.00 41.24 H new ATOM 0 HD21 LEU A 60 7.940 -11.024 -39.133 1.00 71.44 H new ATOM 0 HD22 LEU A 60 6.447 -10.059 -39.046 1.00 71.44 H new ATOM 0 HD23 LEU A 60 7.790 -9.724 -37.927 1.00 71.44 H new ATOM 971 N ASN A 61 5.319 -13.245 -34.462 1.00 14.22 N ATOM 972 CA ASN A 61 5.529 -14.660 -34.172 1.00 33.24 C ATOM 973 C ASN A 61 6.369 -15.320 -35.261 1.00 54.15 C ATOM 974 O ASN A 61 6.222 -15.012 -36.444 1.00 1.23 O ATOM 975 CB ASN A 61 4.185 -15.379 -34.043 1.00 52.35 C ATOM 976 CG ASN A 61 3.177 -14.913 -35.075 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.152 -14.320 -34.734 1.00 42.20 O ATOM 978 ND2 ASN A 61 3.464 -15.177 -36.344 1.00 71.33 N ATOM 0 H ASN A 61 4.343 -12.949 -34.435 1.00 14.22 H new ATOM 0 HA ASN A 61 6.067 -14.736 -33.227 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.339 -16.453 -34.149 1.00 52.35 H new ATOM 0 HB3 ASN A 61 3.782 -15.212 -33.044 1.00 52.35 H new ATOM 0 HD21 ASN A 61 2.824 -14.886 -37.083 1.00 71.33 H new ATOM 0 HD22 ASN A 61 4.325 -15.671 -36.580 1.00 71.33 H new ATOM 985 N ARG A 62 7.250 -16.228 -34.853 1.00 14.43 N ATOM 986 CA ARG A 62 8.113 -16.931 -35.793 1.00 62.32 C ATOM 987 C ARG A 62 7.660 -18.377 -35.971 1.00 71.20 C ATOM 988 O ARG A 62 7.869 -18.978 -37.025 1.00 73.11 O ATOM 989 CB ARG A 62 9.564 -16.895 -35.310 1.00 1.22 C ATOM 990 CG ARG A 62 10.261 -15.568 -35.569 1.00 71.45 C ATOM 991 CD ARG A 62 10.162 -14.644 -34.366 1.00 72.42 C ATOM 992 NE ARG A 62 11.383 -14.654 -33.567 1.00 15.00 N ATOM 993 CZ ARG A 62 11.488 -14.072 -32.377 1.00 45.11 C ATOM 994 NH1 ARG A 62 10.448 -13.438 -31.852 1.00 32.15 N ATOM 995 NH2 ARG A 62 12.634 -14.125 -31.710 1.00 4.03 N ATOM 0 H ARG A 62 7.384 -16.494 -33.877 1.00 14.43 H new ATOM 0 HA ARG A 62 8.045 -16.427 -36.757 1.00 62.32 H new ATOM 0 HB2 ARG A 62 9.587 -17.105 -34.241 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.122 -17.691 -35.803 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.310 -15.747 -35.807 1.00 71.45 H new ATOM 0 HG3 ARG A 62 9.815 -15.085 -36.438 1.00 71.45 H new ATOM 0 HD2 ARG A 62 9.959 -13.628 -34.705 1.00 72.42 H new ATOM 0 HD3 ARG A 62 9.319 -14.947 -33.744 1.00 72.42 H new ATOM 0 HE ARG A 62 12.201 -15.134 -33.943 1.00 15.00 H new ATOM 0 HH11 ARG A 62 9.566 -13.397 -32.362 1.00 32.15 H new ATOM 0 HH12 ARG A 62 10.531 -12.992 -30.938 1.00 32.15 H new ATOM 0 HH21 ARG A 62 13.435 -14.613 -32.111 1.00 4.03 H new ATOM 0 HH22 ARG A 62 12.714 -13.678 -30.797 1.00 4.03 H new ATOM 1009 N ALA A 63 7.041 -18.929 -34.933 1.00 13.41 N ATOM 1010 CA ALA A 63 6.558 -20.304 -34.975 1.00 11.25 C ATOM 1011 C ALA A 63 5.045 -20.348 -35.162 1.00 40.23 C ATOM 1012 O ALA A 63 4.381 -21.278 -34.708 1.00 15.22 O ATOM 1013 CB ALA A 63 6.955 -21.042 -33.706 1.00 4.01 C ATOM 0 H ALA A 63 6.862 -18.446 -34.053 1.00 13.41 H new ATOM 0 HA ALA A 63 7.019 -20.799 -35.830 1.00 11.25 H new ATOM 0 HB1 ALA A 63 6.588 -22.067 -33.751 1.00 4.01 H new ATOM 0 HB2 ALA A 63 8.041 -21.049 -33.614 1.00 4.01 H new ATOM 0 HB3 ALA A 63 6.521 -20.539 -32.842 1.00 4.01 H new ATOM 1019 N GLY A 64 4.507 -19.336 -35.836 1.00 15.42 N ATOM 1020 CA GLY A 64 3.076 -19.278 -36.070 1.00 64.14 C ATOM 1021 C GLY A 64 2.703 -19.689 -37.481 1.00 10.02 C ATOM 1022 O GLY A 64 3.533 -19.642 -38.390 1.00 62.15 O ATOM 0 H GLY A 64 5.037 -18.555 -36.224 1.00 15.42 H new ATOM 0 HA2 GLY A 64 2.568 -19.929 -35.359 1.00 64.14 H new ATOM 0 HA3 GLY A 64 2.721 -18.264 -35.884 1.00 64.14 H new ATOM 1026 N THR A 65 1.450 -20.094 -37.667 1.00 32.42 N ATOM 1027 CA THR A 65 0.970 -20.517 -38.976 1.00 14.14 C ATOM 1028 C THR A 65 1.094 -19.392 -39.997 1.00 2.22 C ATOM 1029 O THR A 65 1.313 -19.637 -41.184 1.00 74.54 O ATOM 1030 CB THR A 65 -0.498 -20.979 -38.914 1.00 43.52 C ATOM 1031 OG1 THR A 65 -1.310 -19.952 -38.333 1.00 71.44 O ATOM 1032 CG2 THR A 65 -0.629 -22.257 -38.100 1.00 24.43 C ATOM 0 H THR A 65 0.750 -20.138 -36.927 1.00 32.42 H new ATOM 0 HA THR A 65 1.594 -21.355 -39.285 1.00 14.14 H new ATOM 0 HB THR A 65 -0.837 -21.178 -39.931 1.00 43.52 H new ATOM 0 HG1 THR A 65 -2.242 -20.252 -38.299 1.00 71.44 H new ATOM 0 HG21 THR A 65 -1.674 -22.564 -38.070 1.00 24.43 H new ATOM 0 HG22 THR A 65 -0.033 -23.045 -38.561 1.00 24.43 H new ATOM 0 HG23 THR A 65 -0.274 -22.080 -37.085 1.00 24.43 H new ATOM 1040 N THR A 66 0.953 -18.155 -39.529 1.00 75.01 N ATOM 1041 CA THR A 66 1.049 -16.993 -40.401 1.00 24.34 C ATOM 1042 C THR A 66 2.352 -17.005 -41.193 1.00 70.12 C ATOM 1043 O THR A 66 2.354 -16.810 -42.409 1.00 31.44 O ATOM 1044 CB THR A 66 0.961 -15.680 -39.600 1.00 53.23 C ATOM 1045 OG1 THR A 66 2.050 -15.597 -38.674 1.00 11.42 O ATOM 1046 CG2 THR A 66 -0.359 -15.593 -38.847 1.00 2.54 C ATOM 0 H THR A 66 0.772 -17.934 -38.550 1.00 75.01 H new ATOM 0 HA THR A 66 0.207 -17.046 -41.091 1.00 24.34 H new ATOM 0 HB THR A 66 1.017 -14.848 -40.302 1.00 53.23 H new ATOM 0 HG1 THR A 66 2.682 -14.911 -38.973 1.00 11.42 H new ATOM 0 HG21 THR A 66 -0.398 -14.658 -38.289 1.00 2.54 H new ATOM 0 HG22 THR A 66 -1.186 -15.627 -39.557 1.00 2.54 H new ATOM 0 HG23 THR A 66 -0.439 -16.432 -38.156 1.00 2.54 H new ATOM 1054 N PHE A 67 3.460 -17.235 -40.496 1.00 31.33 N ATOM 1055 CA PHE A 67 4.770 -17.273 -41.134 1.00 51.22 C ATOM 1056 C PHE A 67 4.899 -18.492 -42.041 1.00 2.20 C ATOM 1057 O PHE A 67 5.515 -18.427 -43.105 1.00 62.22 O ATOM 1058 CB PHE A 67 5.876 -17.290 -40.076 1.00 14.00 C ATOM 1059 CG PHE A 67 7.251 -17.081 -40.643 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.893 -18.097 -41.333 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.903 -15.869 -40.486 1.00 15.52 C ATOM 1062 CE1 PHE A 67 9.158 -17.908 -41.854 1.00 72.43 C ATOM 1063 CE2 PHE A 67 9.169 -15.673 -41.006 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.796 -16.694 -41.691 1.00 75.02 C ATOM 0 H PHE A 67 3.476 -17.398 -39.489 1.00 31.33 H new ATOM 0 HA PHE A 67 4.875 -16.376 -41.745 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.674 -16.513 -39.338 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.850 -18.244 -39.550 1.00 14.00 H new ATOM 0 HD1 PHE A 67 7.398 -19.048 -41.465 1.00 12.13 H new ATOM 0 HD2 PHE A 67 7.416 -15.067 -39.951 1.00 15.52 H new ATOM 0 HE1 PHE A 67 9.648 -18.709 -42.388 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.666 -14.723 -40.876 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.785 -16.544 -42.099 1.00 75.02 H new ATOM 1074 N ARG A 68 4.315 -19.607 -41.611 1.00 35.20 N ATOM 1075 CA ARG A 68 4.365 -20.842 -42.383 1.00 13.24 C ATOM 1076 C ARG A 68 3.380 -20.797 -43.547 1.00 42.44 C ATOM 1077 O ARG A 68 3.330 -21.713 -44.368 1.00 51.04 O ATOM 1078 CB ARG A 68 4.056 -22.042 -41.485 1.00 65.20 C ATOM 1079 CG ARG A 68 5.290 -22.660 -40.848 1.00 50.00 C ATOM 1080 CD ARG A 68 4.979 -24.014 -40.230 1.00 44.21 C ATOM 1081 NE ARG A 68 6.051 -24.475 -39.353 1.00 1.04 N ATOM 1082 CZ ARG A 68 7.236 -24.884 -39.793 1.00 43.45 C ATOM 1083 NH1 ARG A 68 7.499 -24.889 -41.092 1.00 73.52 N ATOM 1084 NH2 ARG A 68 8.161 -25.289 -38.932 1.00 33.20 N ATOM 0 H ARG A 68 3.802 -19.679 -40.732 1.00 35.20 H new ATOM 0 HA ARG A 68 5.372 -20.948 -42.787 1.00 13.24 H new ATOM 0 HB2 ARG A 68 3.370 -21.729 -40.698 1.00 65.20 H new ATOM 0 HB3 ARG A 68 3.542 -22.802 -42.073 1.00 65.20 H new ATOM 0 HG2 ARG A 68 6.071 -22.773 -41.600 1.00 50.00 H new ATOM 0 HG3 ARG A 68 5.680 -21.990 -40.082 1.00 50.00 H new ATOM 0 HD2 ARG A 68 4.050 -23.949 -39.663 1.00 44.21 H new ATOM 0 HD3 ARG A 68 4.819 -24.746 -41.022 1.00 44.21 H new ATOM 0 HE ARG A 68 5.881 -24.484 -38.347 1.00 1.04 H new ATOM 0 HH11 ARG A 68 6.791 -24.578 -41.757 1.00 73.52 H new ATOM 0 HH12 ARG A 68 8.410 -25.204 -41.427 1.00 73.52 H new ATOM 0 HH21 ARG A 68 7.962 -25.286 -37.932 1.00 33.20 H new ATOM 0 HH22 ARG A 68 9.070 -25.603 -39.271 1.00 33.20 H new ATOM 1098 N LYS A 69 2.597 -19.726 -43.611 1.00 73.43 N ATOM 1099 CA LYS A 69 1.613 -19.560 -44.674 1.00 73.42 C ATOM 1100 C LYS A 69 2.288 -19.529 -46.041 1.00 41.12 C ATOM 1101 O LYS A 69 1.753 -20.049 -47.021 1.00 52.53 O ATOM 1102 CB LYS A 69 0.812 -18.272 -44.460 1.00 31.13 C ATOM 1103 CG LYS A 69 -0.410 -18.160 -45.354 1.00 71.24 C ATOM 1104 CD LYS A 69 -1.369 -17.093 -44.854 1.00 50.32 C ATOM 1105 CE LYS A 69 -2.540 -16.905 -45.808 1.00 72.15 C ATOM 1106 NZ LYS A 69 -3.271 -18.181 -46.047 1.00 71.33 N ATOM 0 H LYS A 69 2.625 -18.959 -42.939 1.00 73.43 H new ATOM 0 HA LYS A 69 0.935 -20.413 -44.642 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.496 -18.220 -43.418 1.00 31.13 H new ATOM 0 HB3 LYS A 69 1.462 -17.416 -44.639 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -0.098 -17.922 -46.371 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -0.922 -19.121 -45.394 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -1.742 -17.371 -43.868 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -0.837 -16.149 -44.739 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -3.227 -16.164 -45.399 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -2.176 -16.512 -46.757 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -4.154 -17.984 -46.561 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -2.677 -18.821 -46.612 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -3.493 -18.630 -45.135 1.00 71.33 H new ATOM 1120 N LEU A 70 3.467 -18.920 -46.100 1.00 1.50 N ATOM 1121 CA LEU A 70 4.217 -18.823 -47.348 1.00 30.25 C ATOM 1122 C LEU A 70 5.312 -19.884 -47.408 1.00 52.51 C ATOM 1123 O LEU A 70 5.778 -20.389 -46.386 1.00 53.44 O ATOM 1124 CB LEU A 70 4.832 -17.430 -47.489 1.00 30.13 C ATOM 1125 CG LEU A 70 3.865 -16.302 -47.850 1.00 75.04 C ATOM 1126 CD1 LEU A 70 4.373 -14.971 -47.318 1.00 23.34 C ATOM 1127 CD2 LEU A 70 3.661 -16.235 -49.356 1.00 52.00 C ATOM 0 H LEU A 70 3.925 -18.486 -45.298 1.00 1.50 H new ATOM 0 HA LEU A 70 3.526 -18.993 -48.174 1.00 30.25 H new ATOM 0 HB2 LEU A 70 5.322 -17.174 -46.549 1.00 30.13 H new ATOM 0 HB3 LEU A 70 5.609 -17.473 -48.252 1.00 30.13 H new ATOM 0 HG LEU A 70 2.903 -16.512 -47.383 1.00 75.04 H new ATOM 0 HD11 LEU A 70 3.671 -14.181 -47.585 1.00 23.34 H new ATOM 0 HD12 LEU A 70 4.464 -15.024 -46.233 1.00 23.34 H new ATOM 0 HD13 LEU A 70 5.348 -14.753 -47.754 1.00 23.34 H new ATOM 0 HD21 LEU A 70 2.970 -15.426 -49.594 1.00 52.00 H new ATOM 0 HD22 LEU A 70 4.618 -16.050 -49.845 1.00 52.00 H new ATOM 0 HD23 LEU A 70 3.249 -17.180 -49.710 1.00 52.00 H new ATOM 1139 N PRO A 71 5.735 -20.228 -48.632 1.00 40.12 N ATOM 1140 CA PRO A 71 6.782 -21.229 -48.856 1.00 21.41 C ATOM 1141 C PRO A 71 8.157 -20.740 -48.411 1.00 4.43 C ATOM 1142 O PRO A 71 8.292 -19.634 -47.889 1.00 61.04 O ATOM 1143 CB PRO A 71 6.754 -21.440 -50.371 1.00 10.33 C ATOM 1144 CG PRO A 71 6.201 -20.170 -50.921 1.00 64.15 C ATOM 1145 CD PRO A 71 5.224 -19.666 -49.895 1.00 72.42 C ATOM 0 HA PRO A 71 6.605 -22.139 -48.282 1.00 21.41 H new ATOM 0 HB2 PRO A 71 7.752 -21.639 -50.761 1.00 10.33 H new ATOM 0 HB3 PRO A 71 6.131 -22.293 -50.640 1.00 10.33 H new ATOM 0 HG2 PRO A 71 6.994 -19.442 -51.096 1.00 64.15 H new ATOM 0 HG3 PRO A 71 5.708 -20.341 -51.878 1.00 64.15 H new ATOM 0 HD2 PRO A 71 5.196 -18.577 -49.868 1.00 72.42 H new ATOM 0 HD3 PRO A 71 4.210 -20.006 -50.105 1.00 72.42 H new ATOM 1153 N GLU A 72 9.173 -21.570 -48.624 1.00 64.42 N ATOM 1154 CA GLU A 72 10.537 -21.220 -48.244 1.00 2.33 C ATOM 1155 C GLU A 72 11.095 -20.136 -49.161 1.00 32.21 C ATOM 1156 O GLU A 72 11.804 -19.234 -48.713 1.00 64.11 O ATOM 1157 CB GLU A 72 11.436 -22.458 -48.292 1.00 3.30 C ATOM 1158 CG GLU A 72 11.496 -23.114 -49.661 1.00 14.02 C ATOM 1159 CD GLU A 72 12.232 -24.440 -49.640 1.00 23.34 C ATOM 1160 OE1 GLU A 72 13.381 -24.474 -49.153 1.00 4.25 O ATOM 1161 OE2 GLU A 72 11.658 -25.443 -50.112 1.00 2.14 O ATOM 0 H GLU A 72 9.078 -22.489 -49.057 1.00 64.42 H new ATOM 0 HA GLU A 72 10.517 -20.834 -47.225 1.00 2.33 H new ATOM 0 HB2 GLU A 72 12.444 -22.176 -47.989 1.00 3.30 H new ATOM 0 HB3 GLU A 72 11.076 -23.186 -47.565 1.00 3.30 H new ATOM 0 HG2 GLU A 72 10.482 -23.271 -50.029 1.00 14.02 H new ATOM 0 HG3 GLU A 72 11.989 -22.440 -50.362 1.00 14.02 H new ATOM 1168 N ASP A 73 10.772 -20.231 -50.445 1.00 54.44 N ATOM 1169 CA ASP A 73 11.240 -19.258 -51.426 1.00 22.54 C ATOM 1170 C ASP A 73 10.716 -17.863 -51.101 1.00 73.43 C ATOM 1171 O ASP A 73 11.483 -16.903 -51.029 1.00 20.35 O ATOM 1172 CB ASP A 73 10.798 -19.668 -52.832 1.00 11.40 C ATOM 1173 CG ASP A 73 11.526 -20.899 -53.333 1.00 35.22 C ATOM 1174 OD1 ASP A 73 11.538 -21.917 -52.609 1.00 60.34 O ATOM 1175 OD2 ASP A 73 12.083 -20.846 -54.450 1.00 64.21 O ATOM 0 H ASP A 73 10.188 -20.972 -50.832 1.00 54.44 H new ATOM 0 HA ASP A 73 12.329 -19.235 -51.388 1.00 22.54 H new ATOM 0 HB2 ASP A 73 9.725 -19.860 -52.831 1.00 11.40 H new ATOM 0 HB3 ASP A 73 10.973 -18.841 -53.520 1.00 11.40 H new ATOM 1180 N VAL A 74 9.405 -17.759 -50.905 1.00 22.21 N ATOM 1181 CA VAL A 74 8.779 -16.481 -50.587 1.00 51.24 C ATOM 1182 C VAL A 74 9.255 -15.957 -49.237 1.00 71.30 C ATOM 1183 O VAL A 74 9.500 -14.762 -49.075 1.00 64.14 O ATOM 1184 CB VAL A 74 7.244 -16.598 -50.569 1.00 4.32 C ATOM 1185 CG1 VAL A 74 6.613 -15.282 -50.139 1.00 2.42 C ATOM 1186 CG2 VAL A 74 6.726 -17.026 -51.934 1.00 20.32 C ATOM 0 H VAL A 74 8.756 -18.544 -50.961 1.00 22.21 H new ATOM 0 HA VAL A 74 9.073 -15.781 -51.369 1.00 51.24 H new ATOM 0 HB VAL A 74 6.964 -17.362 -49.844 1.00 4.32 H new ATOM 0 HG11 VAL A 74 5.528 -15.384 -50.132 1.00 2.42 H new ATOM 0 HG12 VAL A 74 6.959 -15.022 -49.139 1.00 2.42 H new ATOM 0 HG13 VAL A 74 6.899 -14.496 -50.838 1.00 2.42 H new ATOM 0 HG21 VAL A 74 5.639 -17.104 -51.903 1.00 20.32 H new ATOM 0 HG22 VAL A 74 7.016 -16.287 -52.681 1.00 20.32 H new ATOM 0 HG23 VAL A 74 7.151 -17.994 -52.197 1.00 20.32 H new ATOM 1196 N ARG A 75 9.382 -16.860 -48.270 1.00 32.22 N ATOM 1197 CA ARG A 75 9.827 -16.489 -46.932 1.00 2.22 C ATOM 1198 C ARG A 75 11.301 -16.094 -46.939 1.00 43.01 C ATOM 1199 O ARG A 75 11.754 -15.334 -46.085 1.00 52.32 O ATOM 1200 CB ARG A 75 9.603 -17.646 -45.958 1.00 70.20 C ATOM 1201 CG ARG A 75 8.175 -17.746 -45.447 1.00 33.21 C ATOM 1202 CD ARG A 75 7.837 -16.595 -44.512 1.00 64.25 C ATOM 1203 NE ARG A 75 7.230 -15.473 -45.223 1.00 60.01 N ATOM 1204 CZ ARG A 75 6.913 -14.321 -44.642 1.00 52.41 C ATOM 1205 NH1 ARG A 75 7.143 -14.141 -43.350 1.00 43.22 N ATOM 1206 NH2 ARG A 75 6.365 -13.346 -45.356 1.00 22.23 N ATOM 0 H ARG A 75 9.183 -17.853 -48.388 1.00 32.22 H new ATOM 0 HA ARG A 75 9.240 -15.630 -46.606 1.00 2.22 H new ATOM 0 HB2 ARG A 75 9.870 -18.581 -46.451 1.00 70.20 H new ATOM 0 HB3 ARG A 75 10.276 -17.530 -45.109 1.00 70.20 H new ATOM 0 HG2 ARG A 75 7.485 -17.746 -46.290 1.00 33.21 H new ATOM 0 HG3 ARG A 75 8.040 -18.693 -44.924 1.00 33.21 H new ATOM 0 HD2 ARG A 75 7.155 -16.945 -43.738 1.00 64.25 H new ATOM 0 HD3 ARG A 75 8.744 -16.258 -44.009 1.00 64.25 H new ATOM 0 HE ARG A 75 7.039 -15.580 -46.219 1.00 60.01 H new ATOM 0 HH11 ARG A 75 7.565 -14.888 -42.798 1.00 43.22 H new ATOM 0 HH12 ARG A 75 6.898 -13.255 -42.907 1.00 43.22 H new ATOM 0 HH21 ARG A 75 6.187 -13.481 -46.351 1.00 22.23 H new ATOM 0 HH22 ARG A 75 6.122 -12.462 -44.910 1.00 22.23 H new ATOM 1220 N SER A 76 12.043 -16.616 -47.911 1.00 13.42 N ATOM 1221 CA SER A 76 13.466 -16.322 -48.027 1.00 72.25 C ATOM 1222 C SER A 76 13.687 -14.942 -48.642 1.00 24.11 C ATOM 1223 O SER A 76 14.726 -14.316 -48.433 1.00 72.30 O ATOM 1224 CB SER A 76 14.162 -17.388 -48.876 1.00 52.34 C ATOM 1225 OG SER A 76 15.462 -16.971 -49.254 1.00 11.12 O ATOM 0 H SER A 76 11.682 -17.244 -48.629 1.00 13.42 H new ATOM 0 HA SER A 76 13.896 -16.328 -47.025 1.00 72.25 H new ATOM 0 HB2 SER A 76 14.225 -18.320 -48.315 1.00 52.34 H new ATOM 0 HB3 SER A 76 13.569 -17.592 -49.767 1.00 52.34 H new ATOM 0 HG SER A 76 15.886 -17.670 -49.794 1.00 11.12 H new ATOM 1231 N ASN A 77 12.703 -14.476 -49.403 1.00 61.11 N ATOM 1232 CA ASN A 77 12.788 -13.172 -50.050 1.00 63.22 C ATOM 1233 C ASN A 77 12.098 -12.102 -49.210 1.00 4.51 C ATOM 1234 O ASN A 77 11.638 -11.087 -49.733 1.00 30.21 O ATOM 1235 CB ASN A 77 12.157 -13.228 -51.443 1.00 34.15 C ATOM 1236 CG ASN A 77 13.061 -13.897 -52.460 1.00 2.31 C ATOM 1237 OD1 ASN A 77 13.300 -13.361 -53.543 1.00 62.33 O ATOM 1238 ND2 ASN A 77 13.568 -15.075 -52.117 1.00 63.33 N ATOM 0 H ASN A 77 11.837 -14.982 -49.587 1.00 61.11 H new ATOM 0 HA ASN A 77 13.842 -12.910 -50.146 1.00 63.22 H new ATOM 0 HB2 ASN A 77 11.212 -13.769 -51.389 1.00 34.15 H new ATOM 0 HB3 ASN A 77 11.927 -12.216 -51.776 1.00 34.15 H new ATOM 0 HD21 ASN A 77 14.182 -15.573 -52.761 1.00 63.33 H new ATOM 0 HD22 ASN A 77 13.343 -15.482 -51.209 1.00 63.33 H new ATOM 1245 N VAL A 78 12.031 -12.336 -47.902 1.00 54.35 N ATOM 1246 CA VAL A 78 11.399 -11.392 -46.989 1.00 25.14 C ATOM 1247 C VAL A 78 12.327 -10.222 -46.679 1.00 53.34 C ATOM 1248 O VAL A 78 13.501 -10.415 -46.363 1.00 13.31 O ATOM 1249 CB VAL A 78 10.993 -12.074 -45.669 1.00 24.53 C ATOM 1250 CG1 VAL A 78 12.219 -12.613 -44.948 1.00 61.22 C ATOM 1251 CG2 VAL A 78 10.225 -11.105 -44.783 1.00 61.01 C ATOM 0 H VAL A 78 12.407 -13.171 -47.452 1.00 54.35 H new ATOM 0 HA VAL A 78 10.504 -11.020 -47.488 1.00 25.14 H new ATOM 0 HB VAL A 78 10.339 -12.915 -45.900 1.00 24.53 H new ATOM 0 HG11 VAL A 78 11.913 -13.091 -44.018 1.00 61.22 H new ATOM 0 HG12 VAL A 78 12.723 -13.342 -45.582 1.00 61.22 H new ATOM 0 HG13 VAL A 78 12.901 -11.792 -44.727 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.946 -11.604 -43.855 1.00 61.01 H new ATOM 0 HG22 VAL A 78 10.853 -10.243 -44.557 1.00 61.01 H new ATOM 0 HG23 VAL A 78 9.325 -10.773 -45.301 1.00 61.01 H new ATOM 1261 N ASP A 79 11.793 -9.010 -46.770 1.00 75.02 N ATOM 1262 CA ASP A 79 12.572 -7.807 -46.498 1.00 32.13 C ATOM 1263 C ASP A 79 11.836 -6.891 -45.524 1.00 22.35 C ATOM 1264 O ASP A 79 10.732 -7.202 -45.078 1.00 11.20 O ATOM 1265 CB ASP A 79 12.866 -7.059 -47.799 1.00 14.11 C ATOM 1266 CG ASP A 79 13.140 -7.998 -48.957 1.00 70.21 C ATOM 1267 OD1 ASP A 79 14.118 -8.770 -48.876 1.00 63.45 O ATOM 1268 OD2 ASP A 79 12.378 -7.958 -49.946 1.00 12.03 O ATOM 0 H ASP A 79 10.823 -8.834 -47.030 1.00 75.02 H new ATOM 0 HA ASP A 79 13.514 -8.110 -46.042 1.00 32.13 H new ATOM 0 HB2 ASP A 79 12.019 -6.419 -48.046 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.727 -6.406 -47.653 1.00 14.11 H new ATOM 1273 N ALA A 80 12.456 -5.762 -45.200 1.00 44.44 N ATOM 1274 CA ALA A 80 11.861 -4.800 -44.281 1.00 1.03 C ATOM 1275 C ALA A 80 10.544 -4.259 -44.829 1.00 60.14 C ATOM 1276 O ALA A 80 9.522 -4.277 -44.145 1.00 3.35 O ATOM 1277 CB ALA A 80 12.830 -3.659 -44.007 1.00 43.13 C ATOM 0 H ALA A 80 13.371 -5.491 -45.560 1.00 44.44 H new ATOM 0 HA ALA A 80 11.651 -5.314 -43.343 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.371 -2.949 -43.319 1.00 43.13 H new ATOM 0 HB2 ALA A 80 13.743 -4.056 -43.563 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.071 -3.154 -44.942 1.00 43.13 H new ATOM 1283 N ALA A 81 10.579 -3.778 -46.067 1.00 21.32 N ATOM 1284 CA ALA A 81 9.388 -3.233 -46.708 1.00 55.31 C ATOM 1285 C ALA A 81 8.223 -4.213 -46.626 1.00 31.04 C ATOM 1286 O ALA A 81 7.166 -3.891 -46.084 1.00 33.41 O ATOM 1287 CB ALA A 81 9.684 -2.880 -48.159 1.00 13.35 C ATOM 0 H ALA A 81 11.418 -3.754 -46.646 1.00 21.32 H new ATOM 0 HA ALA A 81 9.102 -2.325 -46.176 1.00 55.31 H new ATOM 0 HB1 ALA A 81 8.786 -2.474 -48.625 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.480 -2.137 -48.197 1.00 13.35 H new ATOM 0 HB3 ALA A 81 9.998 -3.776 -48.695 1.00 13.35 H new ATOM 1293 N SER A 82 8.423 -5.409 -47.168 1.00 54.12 N ATOM 1294 CA SER A 82 7.387 -6.435 -47.161 1.00 14.13 C ATOM 1295 C SER A 82 6.881 -6.686 -45.743 1.00 30.51 C ATOM 1296 O SER A 82 5.677 -6.682 -45.493 1.00 1.33 O ATOM 1297 CB SER A 82 7.924 -7.737 -47.760 1.00 73.02 C ATOM 1298 OG SER A 82 8.795 -7.476 -48.847 1.00 11.21 O ATOM 0 H SER A 82 9.294 -5.692 -47.618 1.00 54.12 H new ATOM 0 HA SER A 82 6.555 -6.080 -47.769 1.00 14.13 H new ATOM 0 HB2 SER A 82 8.453 -8.303 -46.993 1.00 73.02 H new ATOM 0 HB3 SER A 82 7.093 -8.357 -48.096 1.00 73.02 H new ATOM 0 HG SER A 82 9.126 -8.323 -49.212 1.00 11.21 H new ATOM 1304 N ALA A 83 7.811 -6.904 -44.820 1.00 34.11 N ATOM 1305 CA ALA A 83 7.462 -7.155 -43.428 1.00 62.10 C ATOM 1306 C ALA A 83 6.589 -6.035 -42.871 1.00 53.55 C ATOM 1307 O ALA A 83 5.545 -6.290 -42.270 1.00 1.10 O ATOM 1308 CB ALA A 83 8.720 -7.313 -42.587 1.00 14.31 C ATOM 0 H ALA A 83 8.813 -6.912 -45.011 1.00 34.11 H new ATOM 0 HA ALA A 83 6.891 -8.083 -43.385 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.443 -7.500 -41.550 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.306 -8.152 -42.963 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.314 -6.401 -42.645 1.00 14.31 H new ATOM 1314 N ARG A 84 7.023 -4.796 -43.074 1.00 14.24 N ATOM 1315 CA ARG A 84 6.281 -3.637 -42.591 1.00 42.23 C ATOM 1316 C ARG A 84 4.856 -3.637 -43.136 1.00 55.53 C ATOM 1317 O ARG A 84 3.901 -3.387 -42.402 1.00 43.13 O ATOM 1318 CB ARG A 84 6.993 -2.345 -42.994 1.00 72.41 C ATOM 1319 CG ARG A 84 8.140 -1.966 -42.072 1.00 43.35 C ATOM 1320 CD ARG A 84 8.840 -0.701 -42.542 1.00 30.14 C ATOM 1321 NE ARG A 84 7.915 0.421 -42.673 1.00 24.42 N ATOM 1322 CZ ARG A 84 8.299 1.663 -42.948 1.00 23.24 C ATOM 1323 NH1 ARG A 84 9.585 1.939 -43.119 1.00 30.24 N ATOM 1324 NH2 ARG A 84 7.397 2.630 -43.052 1.00 14.35 N ATOM 0 H ARG A 84 7.885 -4.568 -43.570 1.00 14.24 H new ATOM 0 HA ARG A 84 6.235 -3.694 -41.503 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.375 -2.453 -44.009 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.268 -1.531 -43.011 1.00 72.41 H new ATOM 0 HG2 ARG A 84 7.761 -1.819 -41.061 1.00 43.35 H new ATOM 0 HG3 ARG A 84 8.858 -2.785 -42.028 1.00 43.35 H new ATOM 0 HD2 ARG A 84 9.629 -0.440 -41.836 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.321 -0.888 -43.502 1.00 30.14 H new ATOM 0 HE ARG A 84 6.919 0.242 -42.546 1.00 24.42 H new ATOM 0 HH11 ARG A 84 10.281 1.197 -43.039 1.00 30.24 H new ATOM 0 HH12 ARG A 84 9.878 2.893 -43.330 1.00 30.24 H new ATOM 0 HH21 ARG A 84 6.407 2.421 -42.921 1.00 14.35 H new ATOM 0 HH22 ARG A 84 7.693 3.583 -43.263 1.00 14.35 H new ATOM 1338 N GLU A 85 4.723 -3.919 -44.428 1.00 51.11 N ATOM 1339 CA GLU A 85 3.414 -3.951 -45.072 1.00 55.12 C ATOM 1340 C GLU A 85 2.565 -5.094 -44.522 1.00 1.33 C ATOM 1341 O GLU A 85 1.387 -4.913 -44.210 1.00 32.23 O ATOM 1342 CB GLU A 85 3.569 -4.099 -46.586 1.00 75.34 C ATOM 1343 CG GLU A 85 4.345 -2.965 -47.232 1.00 45.21 C ATOM 1344 CD GLU A 85 3.497 -1.727 -47.454 1.00 21.03 C ATOM 1345 OE1 GLU A 85 2.607 -1.768 -48.330 1.00 42.31 O ATOM 1346 OE2 GLU A 85 3.720 -0.719 -46.751 1.00 3.32 O ATOM 0 H GLU A 85 5.504 -4.128 -45.049 1.00 51.11 H new ATOM 0 HA GLU A 85 2.909 -3.010 -44.857 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.073 -5.041 -46.801 1.00 75.34 H new ATOM 0 HB3 GLU A 85 2.580 -4.156 -47.040 1.00 75.34 H new ATOM 0 HG2 GLU A 85 5.197 -2.709 -46.602 1.00 45.21 H new ATOM 0 HG3 GLU A 85 4.745 -3.302 -48.188 1.00 45.21 H new ATOM 1353 N LEU A 86 3.171 -6.270 -44.405 1.00 22.40 N ATOM 1354 CA LEU A 86 2.472 -7.444 -43.894 1.00 21.33 C ATOM 1355 C LEU A 86 1.884 -7.169 -42.514 1.00 20.32 C ATOM 1356 O LEU A 86 0.741 -7.529 -42.232 1.00 2.34 O ATOM 1357 CB LEU A 86 3.423 -8.640 -43.828 1.00 74.11 C ATOM 1358 CG LEU A 86 3.767 -9.300 -45.163 1.00 10.31 C ATOM 1359 CD1 LEU A 86 5.147 -9.934 -45.106 1.00 65.15 C ATOM 1360 CD2 LEU A 86 2.716 -10.338 -45.531 1.00 0.22 C ATOM 0 H LEU A 86 4.145 -6.436 -44.657 1.00 22.40 H new ATOM 0 HA LEU A 86 1.655 -7.676 -44.577 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.351 -8.315 -43.357 1.00 74.11 H new ATOM 0 HB3 LEU A 86 2.981 -9.394 -43.176 1.00 74.11 H new ATOM 0 HG LEU A 86 3.776 -8.530 -45.935 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.374 -10.399 -46.066 1.00 65.15 H new ATOM 0 HD12 LEU A 86 5.891 -9.167 -44.889 1.00 65.15 H new ATOM 0 HD13 LEU A 86 5.167 -10.691 -44.322 1.00 65.15 H new ATOM 0 HD21 LEU A 86 2.977 -10.798 -46.484 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.675 -11.105 -44.757 1.00 0.22 H new ATOM 0 HD23 LEU A 86 1.742 -9.856 -45.615 1.00 0.22 H new ATOM 1372 N MET A 87 2.673 -6.528 -41.657 1.00 55.22 N ATOM 1373 CA MET A 87 2.230 -6.202 -40.307 1.00 3.41 C ATOM 1374 C MET A 87 1.198 -5.079 -40.331 1.00 3.31 C ATOM 1375 O MET A 87 0.253 -5.074 -39.540 1.00 33.02 O ATOM 1376 CB MET A 87 3.422 -5.797 -39.439 1.00 13.51 C ATOM 1377 CG MET A 87 4.066 -6.965 -38.709 1.00 72.40 C ATOM 1378 SD MET A 87 4.931 -8.089 -39.822 1.00 23.01 S ATOM 1379 CE MET A 87 3.659 -9.314 -40.122 1.00 34.44 C ATOM 0 H MET A 87 3.622 -6.224 -41.874 1.00 55.22 H new ATOM 0 HA MET A 87 1.765 -7.090 -39.879 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.171 -5.314 -40.067 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.094 -5.058 -38.708 1.00 13.51 H new ATOM 0 HG2 MET A 87 4.768 -6.583 -37.968 1.00 72.40 H new ATOM 0 HG3 MET A 87 3.298 -7.517 -38.166 1.00 72.40 H new ATOM 0 HE1 MET A 87 3.769 -9.714 -41.130 1.00 34.44 H new ATOM 0 HE2 MET A 87 3.755 -10.123 -39.398 1.00 34.44 H new ATOM 0 HE3 MET A 87 2.677 -8.851 -40.021 1.00 34.44 H new ATOM 1389 N LEU A 88 1.385 -4.129 -41.240 1.00 0.04 N ATOM 1390 CA LEU A 88 0.471 -2.999 -41.366 1.00 32.32 C ATOM 1391 C LEU A 88 -0.949 -3.477 -41.655 1.00 31.41 C ATOM 1392 O LEU A 88 -1.878 -3.185 -40.902 1.00 51.04 O ATOM 1393 CB LEU A 88 0.941 -2.059 -42.476 1.00 71.42 C ATOM 1394 CG LEU A 88 0.317 -0.662 -42.482 1.00 15.31 C ATOM 1395 CD1 LEU A 88 1.192 0.310 -43.257 1.00 0.02 C ATOM 1396 CD2 LEU A 88 -1.086 -0.707 -43.071 1.00 33.15 C ATOM 0 H LEU A 88 2.162 -4.118 -41.901 1.00 0.04 H new ATOM 0 HA LEU A 88 0.467 -2.459 -40.419 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.023 -1.951 -42.400 1.00 71.42 H new ATOM 0 HB3 LEU A 88 0.735 -2.531 -43.436 1.00 71.42 H new ATOM 0 HG LEU A 88 0.246 -0.312 -41.452 1.00 15.31 H new ATOM 0 HD11 LEU A 88 0.732 1.298 -43.250 1.00 0.02 H new ATOM 0 HD12 LEU A 88 2.176 0.365 -42.791 1.00 0.02 H new ATOM 0 HD13 LEU A 88 1.296 -0.035 -44.286 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -1.514 0.295 -43.067 1.00 33.15 H new ATOM 0 HD22 LEU A 88 -1.039 -1.078 -44.095 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -1.711 -1.371 -42.473 1.00 33.15 H new ATOM 1408 N ALA A 89 -1.107 -4.215 -42.749 1.00 5.24 N ATOM 1409 CA ALA A 89 -2.413 -4.737 -43.135 1.00 72.31 C ATOM 1410 C ALA A 89 -2.831 -5.893 -42.232 1.00 53.31 C ATOM 1411 O ALA A 89 -3.982 -5.973 -41.806 1.00 61.11 O ATOM 1412 CB ALA A 89 -2.394 -5.181 -44.590 1.00 53.34 C ATOM 0 H ALA A 89 -0.348 -4.465 -43.383 1.00 5.24 H new ATOM 0 HA ALA A 89 -3.145 -3.938 -43.020 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -3.375 -5.569 -44.865 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -2.148 -4.331 -45.227 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.645 -5.962 -44.722 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.888 -6.785 -41.946 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.160 -7.937 -41.094 1.00 12.45 C ATOM 1420 C GLN A 90 -1.368 -7.852 -39.794 1.00 41.24 C ATOM 1421 O GLN A 90 -0.389 -8.569 -39.588 1.00 10.03 O ATOM 1422 CB GLN A 90 -1.819 -9.233 -41.830 1.00 3.41 C ATOM 1423 CG GLN A 90 -2.371 -9.294 -43.245 1.00 23.53 C ATOM 1424 CD GLN A 90 -1.966 -10.557 -43.976 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -1.488 -10.507 -45.110 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -2.153 -11.702 -43.331 1.00 33.14 N ATOM 0 H GLN A 90 -0.930 -6.732 -42.291 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.222 -7.935 -40.851 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -0.735 -9.346 -41.867 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -2.208 -10.077 -41.261 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -3.459 -9.233 -43.209 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -2.021 -8.427 -43.805 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -2.552 -11.699 -42.392 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -1.898 -12.585 -43.774 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.799 -6.955 -38.895 1.00 51.14 N ATOM 1436 CA PRO A 91 -1.144 -6.755 -37.599 1.00 32.24 C ATOM 1437 C PRO A 91 -1.345 -7.940 -36.659 1.00 54.10 C ATOM 1438 O PRO A 91 -0.655 -8.066 -35.648 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.833 -5.508 -37.041 1.00 71.34 C ATOM 1440 CG PRO A 91 -3.168 -5.484 -37.703 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.960 -6.068 -39.073 1.00 34.13 C ATOM 0 HA PRO A 91 -0.064 -6.652 -37.700 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.930 -5.561 -35.957 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -1.263 -4.607 -37.266 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.895 -6.066 -37.137 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -3.554 -4.467 -37.767 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.838 -6.618 -39.412 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.763 -5.293 -39.814 1.00 34.13 H new ATOM 1449 N SER A 92 -2.293 -8.807 -37.002 1.00 20.51 N ATOM 1450 CA SER A 92 -2.586 -9.980 -36.186 1.00 11.34 C ATOM 1451 C SER A 92 -1.415 -10.959 -36.201 1.00 43.02 C ATOM 1452 O SER A 92 -1.377 -11.909 -35.420 1.00 60.53 O ATOM 1453 CB SER A 92 -3.852 -10.674 -36.692 1.00 1.20 C ATOM 1454 OG SER A 92 -3.570 -11.497 -37.811 1.00 33.02 O ATOM 0 H SER A 92 -2.870 -8.719 -37.838 1.00 20.51 H new ATOM 0 HA SER A 92 -2.746 -9.648 -35.160 1.00 11.34 H new ATOM 0 HB2 SER A 92 -4.284 -11.277 -35.893 1.00 1.20 H new ATOM 0 HB3 SER A 92 -4.596 -9.926 -36.965 1.00 1.20 H new ATOM 0 HG SER A 92 -4.395 -11.931 -38.114 1.00 33.02 H new ATOM 1460 N MET A 93 -0.462 -10.717 -37.095 1.00 64.00 N ATOM 1461 CA MET A 93 0.711 -11.576 -37.211 1.00 11.03 C ATOM 1462 C MET A 93 1.740 -11.239 -36.136 1.00 22.03 C ATOM 1463 O MET A 93 2.662 -12.014 -35.881 1.00 62.52 O ATOM 1464 CB MET A 93 1.340 -11.431 -38.598 1.00 21.24 C ATOM 1465 CG MET A 93 0.457 -11.947 -39.722 1.00 71.33 C ATOM 1466 SD MET A 93 1.033 -11.431 -41.352 1.00 63.23 S ATOM 1467 CE MET A 93 1.550 -13.002 -42.041 1.00 50.03 C ATOM 0 H MET A 93 -0.479 -9.934 -37.749 1.00 64.00 H new ATOM 0 HA MET A 93 0.390 -12.608 -37.071 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.566 -10.380 -38.778 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.288 -11.968 -38.616 1.00 21.24 H new ATOM 0 HG2 MET A 93 0.423 -13.036 -39.681 1.00 71.33 H new ATOM 0 HG3 MET A 93 -0.562 -11.590 -39.571 1.00 71.33 H new ATOM 0 HE1 MET A 93 1.932 -12.849 -43.050 1.00 50.03 H new ATOM 0 HE2 MET A 93 2.334 -13.432 -41.418 1.00 50.03 H new ATOM 0 HE3 MET A 93 0.699 -13.682 -42.075 1.00 50.03 H new ATOM 1477 N VAL A 94 1.576 -10.079 -35.509 1.00 52.44 N ATOM 1478 CA VAL A 94 2.490 -9.640 -34.461 1.00 10.35 C ATOM 1479 C VAL A 94 2.491 -10.616 -33.290 1.00 43.41 C ATOM 1480 O VAL A 94 1.605 -11.462 -33.170 1.00 40.44 O ATOM 1481 CB VAL A 94 2.121 -8.237 -33.946 1.00 33.42 C ATOM 1482 CG1 VAL A 94 2.056 -7.245 -35.097 1.00 75.05 C ATOM 1483 CG2 VAL A 94 0.801 -8.276 -33.191 1.00 35.21 C ATOM 0 H VAL A 94 0.818 -9.426 -35.708 1.00 52.44 H new ATOM 0 HA VAL A 94 3.486 -9.606 -34.903 1.00 10.35 H new ATOM 0 HB VAL A 94 2.898 -7.907 -33.257 1.00 33.42 H new ATOM 0 HG11 VAL A 94 1.794 -6.259 -34.713 1.00 75.05 H new ATOM 0 HG12 VAL A 94 3.027 -7.196 -35.590 1.00 75.05 H new ATOM 0 HG13 VAL A 94 1.301 -7.568 -35.814 1.00 75.05 H new ATOM 0 HG21 VAL A 94 0.556 -7.276 -32.834 1.00 35.21 H new ATOM 0 HG22 VAL A 94 0.012 -8.627 -33.856 1.00 35.21 H new ATOM 0 HG23 VAL A 94 0.888 -8.953 -32.341 1.00 35.21 H new ATOM 1493 N LYS A 95 3.493 -10.493 -32.426 1.00 21.24 N ATOM 1494 CA LYS A 95 3.612 -11.362 -31.261 1.00 1.24 C ATOM 1495 C LYS A 95 2.662 -10.917 -30.152 1.00 13.35 C ATOM 1496 O LYS A 95 2.135 -9.805 -30.183 1.00 52.22 O ATOM 1497 CB LYS A 95 5.051 -11.364 -30.744 1.00 62.41 C ATOM 1498 CG LYS A 95 5.989 -12.236 -31.561 1.00 12.43 C ATOM 1499 CD LYS A 95 7.125 -12.781 -30.711 1.00 23.31 C ATOM 1500 CE LYS A 95 6.795 -14.160 -30.159 1.00 33.13 C ATOM 1501 NZ LYS A 95 8.021 -14.906 -29.762 1.00 64.41 N ATOM 0 H LYS A 95 4.235 -9.799 -32.511 1.00 21.24 H new ATOM 0 HA LYS A 95 3.341 -12.373 -31.564 1.00 1.24 H new ATOM 0 HB2 LYS A 95 5.429 -10.342 -30.741 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.056 -11.709 -29.710 1.00 62.41 H new ATOM 0 HG2 LYS A 95 5.430 -13.064 -31.997 1.00 12.43 H new ATOM 0 HG3 LYS A 95 6.398 -11.656 -32.388 1.00 12.43 H new ATOM 0 HD2 LYS A 95 8.035 -12.835 -31.309 1.00 23.31 H new ATOM 0 HD3 LYS A 95 7.325 -12.096 -29.887 1.00 23.31 H new ATOM 0 HE2 LYS A 95 6.137 -14.058 -29.296 1.00 33.13 H new ATOM 0 HE3 LYS A 95 6.250 -14.731 -30.910 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 7.754 -15.840 -29.391 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 8.638 -15.026 -30.591 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 8.528 -14.374 -29.027 1.00 64.41 H new ATOM 1515 N ARG A 96 2.452 -11.791 -29.174 1.00 23.43 N ATOM 1516 CA ARG A 96 1.568 -11.488 -28.055 1.00 52.42 C ATOM 1517 C ARG A 96 1.608 -12.602 -27.013 1.00 73.24 C ATOM 1518 O ARG A 96 1.918 -13.755 -27.312 1.00 25.00 O ATOM 1519 CB ARG A 96 0.134 -11.291 -28.550 1.00 2.41 C ATOM 1520 CG ARG A 96 -0.628 -12.591 -28.748 1.00 32.35 C ATOM 1521 CD ARG A 96 -2.000 -12.347 -29.356 1.00 1.31 C ATOM 1522 NE ARG A 96 -2.217 -13.149 -30.556 1.00 4.33 N ATOM 1523 CZ ARG A 96 -1.746 -12.820 -31.754 1.00 22.53 C ATOM 1524 NH1 ARG A 96 -1.033 -11.713 -31.909 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -1.985 -13.602 -32.800 1.00 31.42 N ATOM 0 H ARG A 96 2.882 -12.715 -29.134 1.00 23.43 H new ATOM 0 HA ARG A 96 1.915 -10.566 -27.590 1.00 52.42 H new ATOM 0 HB2 ARG A 96 -0.405 -10.669 -27.835 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.156 -10.746 -29.494 1.00 2.41 H new ATOM 0 HG2 ARG A 96 -0.055 -13.255 -29.396 1.00 32.35 H new ATOM 0 HG3 ARG A 96 -0.739 -13.098 -27.790 1.00 32.35 H new ATOM 0 HD2 ARG A 96 -2.769 -12.580 -28.620 1.00 1.31 H new ATOM 0 HD3 ARG A 96 -2.105 -11.290 -29.602 1.00 1.31 H new ATOM 0 HE ARG A 96 -2.760 -14.008 -30.470 1.00 4.33 H new ATOM 0 HH11 ARG A 96 -0.845 -11.111 -31.107 1.00 21.10 H new ATOM 0 HH12 ARG A 96 -0.673 -11.463 -32.830 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -2.531 -14.456 -32.684 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -1.623 -13.349 -33.719 1.00 31.42 H new ATOM 1539 N PRO A 97 1.288 -12.250 -25.758 1.00 5.45 N ATOM 1540 CA PRO A 97 0.919 -10.880 -25.390 1.00 55.21 C ATOM 1541 C PRO A 97 2.102 -9.921 -25.461 1.00 1.12 C ATOM 1542 O PRO A 97 3.257 -10.338 -25.380 1.00 11.34 O ATOM 1543 CB PRO A 97 0.430 -11.021 -23.946 1.00 63.23 C ATOM 1544 CG PRO A 97 1.122 -12.234 -23.428 1.00 53.40 C ATOM 1545 CD PRO A 97 1.264 -13.163 -24.603 1.00 14.11 C ATOM 0 HA PRO A 97 0.175 -10.462 -26.068 1.00 55.21 H new ATOM 0 HB2 PRO A 97 0.681 -10.140 -23.355 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.653 -11.135 -23.904 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.097 -11.979 -23.012 1.00 53.40 H new ATOM 0 HG3 PRO A 97 0.546 -12.701 -22.629 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.177 -13.755 -24.539 1.00 14.11 H new ATOM 0 HD3 PRO A 97 0.433 -13.865 -24.663 1.00 14.11 H new ATOM 1553 N VAL A 98 1.806 -8.635 -25.614 1.00 75.11 N ATOM 1554 CA VAL A 98 2.846 -7.615 -25.695 1.00 22.51 C ATOM 1555 C VAL A 98 2.689 -6.581 -24.586 1.00 20.24 C ATOM 1556 O VAL A 98 1.583 -6.117 -24.308 1.00 74.34 O ATOM 1557 CB VAL A 98 2.825 -6.899 -27.058 1.00 62.21 C ATOM 1558 CG1 VAL A 98 3.889 -5.812 -27.107 1.00 65.22 C ATOM 1559 CG2 VAL A 98 3.019 -7.898 -28.188 1.00 73.13 C ATOM 0 H VAL A 98 0.855 -8.274 -25.684 1.00 75.11 H new ATOM 0 HA VAL A 98 3.801 -8.127 -25.577 1.00 22.51 H new ATOM 0 HB VAL A 98 1.851 -6.426 -27.185 1.00 62.21 H new ATOM 0 HG11 VAL A 98 3.859 -5.317 -28.078 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.699 -5.081 -26.321 1.00 65.22 H new ATOM 0 HG13 VAL A 98 4.872 -6.258 -26.957 1.00 65.22 H new ATOM 0 HG21 VAL A 98 3.001 -7.374 -29.144 1.00 73.13 H new ATOM 0 HG22 VAL A 98 3.978 -8.402 -28.068 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.217 -8.635 -28.164 1.00 73.13 H new ATOM 1569 N LEU A 99 3.802 -6.222 -23.957 1.00 44.10 N ATOM 1570 CA LEU A 99 3.790 -5.241 -22.878 1.00 22.24 C ATOM 1571 C LEU A 99 4.531 -3.971 -23.288 1.00 30.44 C ATOM 1572 O LEU A 99 5.698 -4.021 -23.675 1.00 63.23 O ATOM 1573 CB LEU A 99 4.424 -5.830 -21.618 1.00 31.22 C ATOM 1574 CG LEU A 99 3.530 -6.752 -20.787 1.00 2.12 C ATOM 1575 CD1 LEU A 99 3.231 -8.034 -21.546 1.00 64.20 C ATOM 1576 CD2 LEU A 99 4.184 -7.063 -19.447 1.00 2.44 C ATOM 0 H LEU A 99 4.725 -6.596 -24.176 1.00 44.10 H new ATOM 0 HA LEU A 99 2.752 -4.983 -22.668 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.315 -6.386 -21.909 1.00 31.22 H new ATOM 0 HB3 LEU A 99 4.755 -5.008 -20.983 1.00 31.22 H new ATOM 0 HG LEU A 99 2.587 -6.238 -20.599 1.00 2.12 H new ATOM 0 HD11 LEU A 99 2.594 -8.676 -20.938 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.720 -7.794 -22.479 1.00 64.20 H new ATOM 0 HD13 LEU A 99 4.164 -8.552 -21.766 1.00 64.20 H new ATOM 0 HD21 LEU A 99 3.534 -7.720 -18.869 1.00 2.44 H new ATOM 0 HD22 LEU A 99 5.142 -7.556 -19.615 1.00 2.44 H new ATOM 0 HD23 LEU A 99 4.345 -6.136 -18.897 1.00 2.44 H new ATOM 1588 N GLU A 100 3.845 -2.837 -23.198 1.00 64.22 N ATOM 1589 CA GLU A 100 4.440 -1.555 -23.556 1.00 43.31 C ATOM 1590 C GLU A 100 4.709 -0.711 -22.313 1.00 30.33 C ATOM 1591 O GLU A 100 3.833 -0.538 -21.467 1.00 5.33 O ATOM 1592 CB GLU A 100 3.524 -0.792 -24.515 1.00 12.53 C ATOM 1593 CG GLU A 100 4.267 0.140 -25.457 1.00 51.33 C ATOM 1594 CD GLU A 100 3.450 1.360 -25.836 1.00 23.35 C ATOM 1595 OE1 GLU A 100 3.271 2.247 -24.976 1.00 13.23 O ATOM 1596 OE2 GLU A 100 2.987 1.427 -26.995 1.00 3.32 O ATOM 0 H GLU A 100 2.877 -2.779 -22.881 1.00 64.22 H new ATOM 0 HA GLU A 100 5.391 -1.752 -24.052 1.00 43.31 H new ATOM 0 HB2 GLU A 100 2.951 -1.509 -25.104 1.00 12.53 H new ATOM 0 HB3 GLU A 100 2.807 -0.212 -23.934 1.00 12.53 H new ATOM 0 HG2 GLU A 100 5.196 0.462 -24.986 1.00 51.33 H new ATOM 0 HG3 GLU A 100 4.540 -0.405 -26.361 1.00 51.33 H new ATOM 1603 N ARG A 101 5.927 -0.190 -22.212 1.00 4.25 N ATOM 1604 CA ARG A 101 6.312 0.634 -21.072 1.00 32.41 C ATOM 1605 C ARG A 101 7.536 1.483 -21.403 1.00 74.21 C ATOM 1606 O ARG A 101 8.618 0.956 -21.663 1.00 12.55 O ATOM 1607 CB ARG A 101 6.604 -0.246 -19.855 1.00 44.21 C ATOM 1608 CG ARG A 101 6.329 0.441 -18.527 1.00 1.21 C ATOM 1609 CD ARG A 101 6.616 -0.482 -17.353 1.00 54.35 C ATOM 1610 NE ARG A 101 8.006 -0.927 -17.332 1.00 52.24 N ATOM 1611 CZ ARG A 101 8.480 -1.820 -16.471 1.00 25.22 C ATOM 1612 NH1 ARG A 101 7.678 -2.361 -15.564 1.00 24.34 N ATOM 1613 NH2 ARG A 101 9.758 -2.173 -16.516 1.00 11.44 N ATOM 0 H ARG A 101 6.664 -0.323 -22.905 1.00 4.25 H new ATOM 0 HA ARG A 101 5.481 1.300 -20.840 1.00 32.41 H new ATOM 0 HB2 ARG A 101 6.000 -1.151 -19.918 1.00 44.21 H new ATOM 0 HB3 ARG A 101 7.648 -0.557 -19.884 1.00 44.21 H new ATOM 0 HG2 ARG A 101 6.944 1.337 -18.445 1.00 1.21 H new ATOM 0 HG3 ARG A 101 5.289 0.764 -18.492 1.00 1.21 H new ATOM 0 HD2 ARG A 101 6.387 0.035 -16.421 1.00 54.35 H new ATOM 0 HD3 ARG A 101 5.959 -1.350 -17.405 1.00 54.35 H new ATOM 0 HE ARG A 101 8.649 -0.530 -18.017 1.00 52.24 H new ATOM 0 HH11 ARG A 101 6.695 -2.091 -15.527 1.00 24.34 H new ATOM 0 HH12 ARG A 101 8.044 -3.047 -14.904 1.00 24.34 H new ATOM 0 HH21 ARG A 101 10.377 -1.758 -17.212 1.00 11.44 H new ATOM 0 HH22 ARG A 101 10.121 -2.859 -15.854 1.00 11.44 H new ATOM 1627 N ASP A 102 7.356 2.799 -21.393 1.00 73.03 N ATOM 1628 CA ASP A 102 8.447 3.722 -21.692 1.00 63.23 C ATOM 1629 C ASP A 102 9.049 3.424 -23.062 1.00 24.24 C ATOM 1630 O ASP A 102 10.265 3.304 -23.203 1.00 10.42 O ATOM 1631 CB ASP A 102 9.529 3.632 -20.616 1.00 41.13 C ATOM 1632 CG ASP A 102 10.357 4.899 -20.521 1.00 72.41 C ATOM 1633 OD1 ASP A 102 10.048 5.865 -21.249 1.00 51.21 O ATOM 1634 OD2 ASP A 102 11.315 4.923 -19.720 1.00 22.03 O ATOM 0 H ASP A 102 6.467 3.251 -21.182 1.00 73.03 H new ATOM 0 HA ASP A 102 8.042 4.734 -21.704 1.00 63.23 H new ATOM 0 HB2 ASP A 102 9.062 3.433 -19.651 1.00 41.13 H new ATOM 0 HB3 ASP A 102 10.184 2.788 -20.833 1.00 41.13 H new ATOM 1639 N GLY A 103 8.189 3.308 -24.069 1.00 2.43 N ATOM 1640 CA GLY A 103 8.655 3.024 -25.414 1.00 31.54 C ATOM 1641 C GLY A 103 9.389 1.702 -25.507 1.00 30.50 C ATOM 1642 O GLY A 103 10.178 1.484 -26.426 1.00 10.41 O ATOM 0 H GLY A 103 7.178 3.406 -23.978 1.00 2.43 H new ATOM 0 HA2 GLY A 103 7.804 3.012 -26.095 1.00 31.54 H new ATOM 0 HA3 GLY A 103 9.315 3.826 -25.743 1.00 31.54 H new ATOM 1646 N LYS A 104 9.131 0.816 -24.551 1.00 25.14 N ATOM 1647 CA LYS A 104 9.774 -0.493 -24.527 1.00 25.34 C ATOM 1648 C LYS A 104 8.757 -1.603 -24.771 1.00 14.23 C ATOM 1649 O LYS A 104 7.755 -1.708 -24.062 1.00 31.24 O ATOM 1650 CB LYS A 104 10.475 -0.715 -23.185 1.00 11.12 C ATOM 1651 CG LYS A 104 11.533 -1.804 -23.225 1.00 33.24 C ATOM 1652 CD LYS A 104 12.712 -1.405 -24.098 1.00 41.15 C ATOM 1653 CE LYS A 104 13.870 -2.379 -23.951 1.00 4.32 C ATOM 1654 NZ LYS A 104 13.569 -3.698 -24.573 1.00 32.45 N ATOM 0 H LYS A 104 8.481 0.980 -23.782 1.00 25.14 H new ATOM 0 HA LYS A 104 10.515 -0.521 -25.326 1.00 25.34 H new ATOM 0 HB2 LYS A 104 10.939 0.219 -22.868 1.00 11.12 H new ATOM 0 HB3 LYS A 104 9.729 -0.972 -22.433 1.00 11.12 H new ATOM 0 HG2 LYS A 104 11.882 -2.011 -22.213 1.00 33.24 H new ATOM 0 HG3 LYS A 104 11.093 -2.726 -23.605 1.00 33.24 H new ATOM 0 HD2 LYS A 104 12.397 -1.367 -25.141 1.00 41.15 H new ATOM 0 HD3 LYS A 104 13.043 -0.402 -23.828 1.00 41.15 H new ATOM 0 HE2 LYS A 104 14.762 -1.955 -24.413 1.00 4.32 H new ATOM 0 HE3 LYS A 104 14.094 -2.519 -22.894 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 14.383 -4.333 -24.451 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 12.733 -4.115 -24.116 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 13.380 -3.568 -25.587 1.00 32.45 H new ATOM 1668 N LEU A 105 9.019 -2.430 -25.777 1.00 31.53 N ATOM 1669 CA LEU A 105 8.127 -3.534 -26.115 1.00 20.33 C ATOM 1670 C LEU A 105 8.662 -4.853 -25.567 1.00 75.31 C ATOM 1671 O LEU A 105 9.810 -5.220 -25.819 1.00 23.42 O ATOM 1672 CB LEU A 105 7.953 -3.629 -27.631 1.00 32.41 C ATOM 1673 CG LEU A 105 6.628 -4.219 -28.119 1.00 52.15 C ATOM 1674 CD1 LEU A 105 5.528 -3.171 -28.069 1.00 35.41 C ATOM 1675 CD2 LEU A 105 6.778 -4.772 -29.529 1.00 22.22 C ATOM 0 H LEU A 105 9.843 -2.357 -26.374 1.00 31.53 H new ATOM 0 HA LEU A 105 7.157 -3.339 -25.657 1.00 20.33 H new ATOM 0 HB2 LEU A 105 8.060 -2.629 -28.052 1.00 32.41 H new ATOM 0 HB3 LEU A 105 8.767 -4.233 -28.033 1.00 32.41 H new ATOM 0 HG LEU A 105 6.351 -5.039 -27.457 1.00 52.15 H new ATOM 0 HD11 LEU A 105 4.593 -3.608 -28.420 1.00 35.41 H new ATOM 0 HD12 LEU A 105 5.404 -2.822 -27.044 1.00 35.41 H new ATOM 0 HD13 LEU A 105 5.797 -2.330 -28.708 1.00 35.41 H new ATOM 0 HD21 LEU A 105 5.826 -5.188 -29.860 1.00 22.22 H new ATOM 0 HD22 LEU A 105 7.078 -3.971 -30.204 1.00 22.22 H new ATOM 0 HD23 LEU A 105 7.537 -5.554 -29.534 1.00 22.22 H new ATOM 1687 N MET A 106 7.823 -5.562 -24.820 1.00 74.33 N ATOM 1688 CA MET A 106 8.211 -6.843 -24.241 1.00 20.31 C ATOM 1689 C MET A 106 7.283 -7.957 -24.714 1.00 43.33 C ATOM 1690 O MET A 106 6.072 -7.765 -24.824 1.00 3.02 O ATOM 1691 CB MET A 106 8.192 -6.762 -22.713 1.00 44.33 C ATOM 1692 CG MET A 106 9.101 -7.778 -22.040 1.00 71.01 C ATOM 1693 SD MET A 106 9.446 -7.368 -20.318 1.00 50.21 S ATOM 1694 CE MET A 106 10.905 -6.343 -20.499 1.00 61.54 C ATOM 0 H MET A 106 6.870 -5.272 -24.601 1.00 74.33 H new ATOM 0 HA MET A 106 9.223 -7.072 -24.574 1.00 20.31 H new ATOM 0 HB2 MET A 106 8.491 -5.760 -22.407 1.00 44.33 H new ATOM 0 HB3 MET A 106 7.171 -6.911 -22.362 1.00 44.33 H new ATOM 0 HG2 MET A 106 8.637 -8.763 -22.089 1.00 71.01 H new ATOM 0 HG3 MET A 106 10.040 -7.840 -22.590 1.00 71.01 H new ATOM 0 HE1 MET A 106 11.240 -6.010 -19.517 1.00 61.54 H new ATOM 0 HE2 MET A 106 11.697 -6.919 -20.977 1.00 61.54 H new ATOM 0 HE3 MET A 106 10.666 -5.475 -21.114 1.00 61.54 H new ATOM 1704 N VAL A 107 7.860 -9.121 -24.994 1.00 75.01 N ATOM 1705 CA VAL A 107 7.084 -10.266 -25.455 1.00 61.12 C ATOM 1706 C VAL A 107 6.653 -11.145 -24.286 1.00 44.11 C ATOM 1707 O VAL A 107 7.404 -11.338 -23.331 1.00 61.33 O ATOM 1708 CB VAL A 107 7.885 -11.120 -26.456 1.00 11.11 C ATOM 1709 CG1 VAL A 107 7.001 -12.198 -27.067 1.00 22.41 C ATOM 1710 CG2 VAL A 107 8.493 -10.242 -27.539 1.00 1.13 C ATOM 0 H VAL A 107 8.861 -9.296 -24.910 1.00 75.01 H new ATOM 0 HA VAL A 107 6.199 -9.869 -25.953 1.00 61.12 H new ATOM 0 HB VAL A 107 8.697 -11.610 -25.919 1.00 11.11 H new ATOM 0 HG11 VAL A 107 7.584 -12.791 -27.771 1.00 22.41 H new ATOM 0 HG12 VAL A 107 6.618 -12.845 -26.278 1.00 22.41 H new ATOM 0 HG13 VAL A 107 6.166 -11.731 -27.590 1.00 22.41 H new ATOM 0 HG21 VAL A 107 9.055 -10.862 -28.237 1.00 1.13 H new ATOM 0 HG22 VAL A 107 7.699 -9.722 -28.074 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.162 -9.512 -27.083 1.00 1.13 H new ATOM 1720 N GLY A 108 5.437 -11.676 -24.368 1.00 3.25 N ATOM 1721 CA GLY A 108 4.926 -12.529 -23.311 1.00 34.24 C ATOM 1722 C GLY A 108 5.748 -13.790 -23.135 1.00 63.12 C ATOM 1723 O GLY A 108 6.608 -14.099 -23.960 1.00 74.34 O ATOM 0 H GLY A 108 4.796 -11.531 -25.148 1.00 3.25 H new ATOM 0 HA2 GLY A 108 4.914 -11.973 -22.374 1.00 34.24 H new ATOM 0 HA3 GLY A 108 3.894 -12.800 -23.534 1.00 34.24 H new ATOM 1727 N PHE A 109 5.485 -14.521 -22.057 1.00 65.53 N ATOM 1728 CA PHE A 109 6.209 -15.755 -21.773 1.00 34.22 C ATOM 1729 C PHE A 109 5.276 -16.811 -21.191 1.00 13.12 C ATOM 1730 O PHE A 109 4.244 -16.488 -20.600 1.00 33.42 O ATOM 1731 CB PHE A 109 7.361 -15.484 -20.803 1.00 43.33 C ATOM 1732 CG PHE A 109 8.357 -14.485 -21.318 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.107 -14.756 -22.451 1.00 64.54 C ATOM 1734 CD2 PHE A 109 8.541 -13.274 -20.670 1.00 74.21 C ATOM 1735 CE1 PHE A 109 10.024 -13.837 -22.926 1.00 30.44 C ATOM 1736 CE2 PHE A 109 9.456 -12.352 -21.141 1.00 22.11 C ATOM 1737 CZ PHE A 109 10.199 -12.634 -22.272 1.00 13.51 C ATOM 0 H PHE A 109 4.775 -14.280 -21.365 1.00 65.53 H new ATOM 0 HA PHE A 109 6.615 -16.133 -22.711 1.00 34.22 H new ATOM 0 HB2 PHE A 109 6.953 -15.124 -19.859 1.00 43.33 H new ATOM 0 HB3 PHE A 109 7.875 -16.422 -20.591 1.00 43.33 H new ATOM 0 HD1 PHE A 109 8.974 -15.695 -22.968 1.00 64.54 H new ATOM 0 HD2 PHE A 109 7.962 -13.048 -19.786 1.00 74.21 H new ATOM 0 HE1 PHE A 109 10.604 -14.060 -23.809 1.00 30.44 H new ATOM 0 HE2 PHE A 109 9.591 -11.412 -20.626 1.00 22.11 H new ATOM 0 HZ PHE A 109 10.914 -11.915 -22.643 1.00 13.51 H new ATOM 1747 N LYS A 110 5.643 -18.076 -21.363 1.00 53.10 N ATOM 1748 CA LYS A 110 4.841 -19.183 -20.854 1.00 31.01 C ATOM 1749 C LYS A 110 4.568 -19.017 -19.362 1.00 43.41 C ATOM 1750 O LYS A 110 5.258 -18.278 -18.660 1.00 73.41 O ATOM 1751 CB LYS A 110 5.551 -20.514 -21.108 1.00 1.21 C ATOM 1752 CG LYS A 110 5.049 -21.247 -22.341 1.00 30.45 C ATOM 1753 CD LYS A 110 5.938 -22.428 -22.689 1.00 25.15 C ATOM 1754 CE LYS A 110 5.209 -23.436 -23.563 1.00 71.12 C ATOM 1755 NZ LYS A 110 6.148 -24.205 -24.426 1.00 33.33 N ATOM 0 H LYS A 110 6.492 -18.361 -21.852 1.00 53.10 H new ATOM 0 HA LYS A 110 3.888 -19.180 -21.382 1.00 31.01 H new ATOM 0 HB2 LYS A 110 6.620 -20.331 -21.215 1.00 1.21 H new ATOM 0 HB3 LYS A 110 5.423 -21.156 -20.237 1.00 1.21 H new ATOM 0 HG2 LYS A 110 4.031 -21.596 -22.169 1.00 30.45 H new ATOM 0 HG3 LYS A 110 5.011 -20.558 -23.185 1.00 30.45 H new ATOM 0 HD2 LYS A 110 6.829 -22.074 -23.207 1.00 25.15 H new ATOM 0 HD3 LYS A 110 6.273 -22.914 -21.773 1.00 25.15 H new ATOM 0 HE2 LYS A 110 4.649 -24.126 -22.932 1.00 71.12 H new ATOM 0 HE3 LYS A 110 4.484 -22.916 -24.189 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 5.612 -24.881 -25.006 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 6.665 -23.550 -25.047 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 6.824 -24.722 -23.829 1.00 33.33 H new ATOM 1769 N PRO A 111 3.539 -19.720 -18.867 1.00 3.22 N ATOM 1770 CA PRO A 111 3.154 -19.668 -17.454 1.00 31.43 C ATOM 1771 C PRO A 111 4.178 -20.343 -16.547 1.00 53.03 C ATOM 1772 O PRO A 111 4.594 -19.778 -15.537 1.00 72.25 O ATOM 1773 CB PRO A 111 1.826 -20.430 -17.419 1.00 2.05 C ATOM 1774 CG PRO A 111 1.886 -21.347 -18.592 1.00 62.33 C ATOM 1775 CD PRO A 111 2.673 -20.619 -19.647 1.00 71.40 C ATOM 0 HA PRO A 111 3.084 -18.643 -17.090 1.00 31.43 H new ATOM 0 HB2 PRO A 111 1.712 -20.985 -16.488 1.00 2.05 H new ATOM 0 HB3 PRO A 111 0.977 -19.750 -17.491 1.00 2.05 H new ATOM 0 HG2 PRO A 111 2.367 -22.289 -18.327 1.00 62.33 H new ATOM 0 HG3 PRO A 111 0.885 -21.589 -18.949 1.00 62.33 H new ATOM 0 HD2 PRO A 111 3.256 -21.307 -20.260 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.022 -20.064 -20.322 1.00 71.40 H new ATOM 1783 N ALA A 112 4.581 -21.554 -16.917 1.00 62.44 N ATOM 1784 CA ALA A 112 5.559 -22.303 -16.139 1.00 52.52 C ATOM 1785 C ALA A 112 6.873 -21.538 -16.024 1.00 34.24 C ATOM 1786 O ALA A 112 7.511 -21.538 -14.972 1.00 74.33 O ATOM 1787 CB ALA A 112 5.797 -23.670 -16.766 1.00 45.03 C ATOM 0 H ALA A 112 4.245 -22.037 -17.750 1.00 62.44 H new ATOM 0 HA ALA A 112 5.159 -22.439 -15.134 1.00 52.52 H new ATOM 0 HB1 ALA A 112 6.530 -24.219 -16.175 1.00 45.03 H new ATOM 0 HB2 ALA A 112 4.860 -24.227 -16.791 1.00 45.03 H new ATOM 0 HB3 ALA A 112 6.171 -23.544 -17.782 1.00 45.03 H new ATOM 1793 N GLN A 113 7.271 -20.888 -17.113 1.00 34.25 N ATOM 1794 CA GLN A 113 8.510 -20.119 -17.132 1.00 42.12 C ATOM 1795 C GLN A 113 8.382 -18.858 -16.283 1.00 63.54 C ATOM 1796 O GLN A 113 9.256 -18.555 -15.469 1.00 30.03 O ATOM 1797 CB GLN A 113 8.880 -19.745 -18.569 1.00 62.35 C ATOM 1798 CG GLN A 113 8.879 -20.927 -19.525 1.00 53.13 C ATOM 1799 CD GLN A 113 9.773 -22.057 -19.055 1.00 30.34 C ATOM 1800 OE1 GLN A 113 10.999 -21.946 -19.082 1.00 1.43 O ATOM 1801 NE2 GLN A 113 9.162 -23.154 -18.623 1.00 31.33 N ATOM 0 H GLN A 113 6.754 -20.878 -17.992 1.00 34.25 H new ATOM 0 HA GLN A 113 9.300 -20.740 -16.710 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.178 -18.994 -18.932 1.00 62.35 H new ATOM 0 HB3 GLN A 113 9.869 -19.286 -18.573 1.00 62.35 H new ATOM 0 HG2 GLN A 113 7.860 -21.298 -19.638 1.00 53.13 H new ATOM 0 HG3 GLN A 113 9.208 -20.594 -20.509 1.00 53.13 H new ATOM 0 HE21 GLN A 113 8.143 -23.202 -18.618 1.00 31.33 H new ATOM 0 HE22 GLN A 113 9.712 -23.949 -18.296 1.00 31.33 H new ATOM 1810 N TYR A 114 7.291 -18.128 -16.478 1.00 74.31 N ATOM 1811 CA TYR A 114 7.050 -16.898 -15.731 1.00 32.54 C ATOM 1812 C TYR A 114 7.074 -17.160 -14.229 1.00 30.52 C ATOM 1813 O TYR A 114 7.644 -16.383 -13.463 1.00 21.43 O ATOM 1814 CB TYR A 114 5.706 -16.288 -16.133 1.00 52.21 C ATOM 1815 CG TYR A 114 5.677 -14.779 -16.045 1.00 71.23 C ATOM 1816 CD1 TYR A 114 6.612 -14.005 -16.722 1.00 2.14 C ATOM 1817 CD2 TYR A 114 4.712 -14.127 -15.286 1.00 72.04 C ATOM 1818 CE1 TYR A 114 6.588 -12.627 -16.644 1.00 70.32 C ATOM 1819 CE2 TYR A 114 4.680 -12.748 -15.204 1.00 0.14 C ATOM 1820 CZ TYR A 114 5.620 -12.003 -15.884 1.00 74.52 C ATOM 1821 OH TYR A 114 5.593 -10.629 -15.805 1.00 24.42 O ATOM 0 H TYR A 114 6.558 -18.366 -17.147 1.00 74.31 H new ATOM 0 HA TYR A 114 7.847 -16.194 -15.971 1.00 32.54 H new ATOM 0 HB2 TYR A 114 5.470 -16.589 -17.154 1.00 52.21 H new ATOM 0 HB3 TYR A 114 4.925 -16.696 -15.492 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.370 -14.490 -17.319 1.00 2.14 H new ATOM 0 HD2 TYR A 114 3.975 -14.708 -14.751 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.323 -12.040 -17.175 1.00 70.32 H new ATOM 0 HE2 TYR A 114 3.923 -12.257 -14.611 1.00 0.14 H new ATOM 0 HH TYR A 114 4.850 -10.349 -15.231 1.00 24.42 H new ATOM 1831 N GLU A 115 6.453 -18.260 -13.816 1.00 14.02 N ATOM 1832 CA GLU A 115 6.402 -18.624 -12.405 1.00 22.21 C ATOM 1833 C GLU A 115 7.775 -19.070 -11.909 1.00 15.44 C ATOM 1834 O GLU A 115 8.235 -18.642 -10.851 1.00 4.40 O ATOM 1835 CB GLU A 115 5.379 -19.739 -12.179 1.00 5.22 C ATOM 1836 CG GLU A 115 4.000 -19.419 -12.728 1.00 30.50 C ATOM 1837 CD GLU A 115 2.946 -19.324 -11.641 1.00 42.21 C ATOM 1838 OE1 GLU A 115 2.958 -18.326 -10.891 1.00 54.12 O ATOM 1839 OE2 GLU A 115 2.112 -20.248 -11.541 1.00 14.10 O ATOM 0 H GLU A 115 5.978 -18.914 -14.438 1.00 14.02 H new ATOM 0 HA GLU A 115 6.098 -17.743 -11.840 1.00 22.21 H new ATOM 0 HB2 GLU A 115 5.743 -20.655 -12.645 1.00 5.22 H new ATOM 0 HB3 GLU A 115 5.299 -19.936 -11.110 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.040 -18.476 -13.273 1.00 30.50 H new ATOM 0 HG3 GLU A 115 3.710 -20.189 -13.443 1.00 30.50 H new ATOM 1846 N ALA A 116 8.425 -19.935 -12.682 1.00 50.22 N ATOM 1847 CA ALA A 116 9.745 -20.439 -12.323 1.00 4.31 C ATOM 1848 C ALA A 116 10.745 -19.297 -12.173 1.00 51.44 C ATOM 1849 O ALA A 116 11.480 -19.230 -11.188 1.00 72.23 O ATOM 1850 CB ALA A 116 10.230 -21.436 -13.365 1.00 54.13 C ATOM 0 H ALA A 116 8.059 -20.301 -13.561 1.00 50.22 H new ATOM 0 HA ALA A 116 9.665 -20.946 -11.361 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.217 -21.804 -13.085 1.00 54.13 H new ATOM 0 HB2 ALA A 116 9.533 -22.272 -13.421 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.288 -20.947 -14.337 1.00 54.13 H new ATOM 1856 N TYR A 117 10.769 -18.404 -13.155 1.00 54.32 N ATOM 1857 CA TYR A 117 11.681 -17.268 -13.133 1.00 43.12 C ATOM 1858 C TYR A 117 11.316 -16.297 -12.014 1.00 23.32 C ATOM 1859 O TYR A 117 12.178 -15.854 -11.254 1.00 72.22 O ATOM 1860 CB TYR A 117 11.659 -16.542 -14.480 1.00 24.03 C ATOM 1861 CG TYR A 117 12.994 -16.543 -15.190 1.00 64.05 C ATOM 1862 CD1 TYR A 117 14.135 -16.051 -14.566 1.00 53.14 C ATOM 1863 CD2 TYR A 117 13.116 -17.035 -16.483 1.00 22.44 C ATOM 1864 CE1 TYR A 117 15.357 -16.049 -15.211 1.00 11.13 C ATOM 1865 CE2 TYR A 117 14.333 -17.038 -17.136 1.00 40.30 C ATOM 1866 CZ TYR A 117 15.451 -16.544 -16.496 1.00 14.53 C ATOM 1867 OH TYR A 117 16.666 -16.543 -17.141 1.00 31.20 O ATOM 0 H TYR A 117 10.167 -18.445 -13.977 1.00 54.32 H new ATOM 0 HA TYR A 117 12.686 -17.646 -12.948 1.00 43.12 H new ATOM 0 HB2 TYR A 117 10.914 -17.010 -15.124 1.00 24.03 H new ATOM 0 HB3 TYR A 117 11.341 -15.511 -14.323 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.065 -15.664 -13.560 1.00 53.14 H new ATOM 0 HD2 TYR A 117 12.243 -17.422 -16.987 1.00 22.44 H new ATOM 0 HE1 TYR A 117 16.234 -15.662 -14.713 1.00 11.13 H new ATOM 0 HE2 TYR A 117 14.409 -17.425 -18.142 1.00 40.30 H new ATOM 0 HH TYR A 117 16.561 -16.926 -18.037 1.00 31.20 H new ATOM 1877 N PHE A 118 10.031 -15.970 -11.919 1.00 14.14 N ATOM 1878 CA PHE A 118 9.550 -15.052 -10.894 1.00 2.10 C ATOM 1879 C PHE A 118 9.866 -15.581 -9.498 1.00 23.32 C ATOM 1880 O PHE A 118 9.999 -14.813 -8.546 1.00 14.34 O ATOM 1881 CB PHE A 118 8.042 -14.836 -11.041 1.00 24.24 C ATOM 1882 CG PHE A 118 7.481 -13.847 -10.059 1.00 65.14 C ATOM 1883 CD1 PHE A 118 8.123 -12.641 -9.826 1.00 41.02 C ATOM 1884 CD2 PHE A 118 6.310 -14.122 -9.371 1.00 55.11 C ATOM 1885 CE1 PHE A 118 7.608 -11.731 -8.923 1.00 73.25 C ATOM 1886 CE2 PHE A 118 5.791 -13.216 -8.467 1.00 41.31 C ATOM 1887 CZ PHE A 118 6.440 -12.017 -8.243 1.00 31.03 C ATOM 0 H PHE A 118 9.305 -16.327 -12.540 1.00 14.14 H new ATOM 0 HA PHE A 118 10.062 -14.099 -11.026 1.00 2.10 H new ATOM 0 HB2 PHE A 118 7.829 -14.492 -12.053 1.00 24.24 H new ATOM 0 HB3 PHE A 118 7.532 -15.791 -10.915 1.00 24.24 H new ATOM 0 HD1 PHE A 118 9.035 -12.410 -10.356 1.00 41.02 H new ATOM 0 HD2 PHE A 118 5.797 -15.056 -9.544 1.00 55.11 H new ATOM 0 HE1 PHE A 118 8.119 -10.796 -8.749 1.00 73.25 H new ATOM 0 HE2 PHE A 118 4.879 -13.444 -7.936 1.00 41.31 H new ATOM 0 HZ PHE A 118 6.035 -11.305 -7.538 1.00 31.03 H new ATOM 1897 N LYS A 119 9.984 -16.900 -9.384 1.00 45.31 N ATOM 1898 CA LYS A 119 10.284 -17.534 -8.106 1.00 73.12 C ATOM 1899 C LYS A 119 11.789 -17.572 -7.858 1.00 53.44 C ATOM 1900 O LYS A 119 12.550 -18.097 -8.672 1.00 11.14 O ATOM 1901 CB LYS A 119 9.715 -18.955 -8.073 1.00 41.45 C ATOM 1902 CG LYS A 119 10.151 -19.756 -6.858 1.00 3.34 C ATOM 1903 CD LYS A 119 9.764 -19.061 -5.562 1.00 40.53 C ATOM 1904 CE LYS A 119 10.213 -19.857 -4.347 1.00 22.25 C ATOM 1905 NZ LYS A 119 9.234 -20.920 -3.988 1.00 11.40 N ATOM 0 H LYS A 119 9.876 -17.551 -10.162 1.00 45.31 H new ATOM 0 HA LYS A 119 9.818 -16.944 -7.317 1.00 73.12 H new ATOM 0 HB2 LYS A 119 8.626 -18.902 -8.092 1.00 41.45 H new ATOM 0 HB3 LYS A 119 10.024 -19.482 -8.976 1.00 41.45 H new ATOM 0 HG2 LYS A 119 9.695 -20.746 -6.891 1.00 3.34 H new ATOM 0 HG3 LYS A 119 11.231 -19.901 -6.885 1.00 3.34 H new ATOM 0 HD2 LYS A 119 10.212 -18.068 -5.533 1.00 40.53 H new ATOM 0 HD3 LYS A 119 8.683 -18.925 -5.530 1.00 40.53 H new ATOM 0 HE2 LYS A 119 11.184 -20.310 -4.548 1.00 22.25 H new ATOM 0 HE3 LYS A 119 10.345 -19.184 -3.500 1.00 22.25 H new ATOM 0 HZ1 LYS A 119 9.576 -21.440 -3.155 1.00 11.40 H new ATOM 0 HZ2 LYS A 119 8.314 -20.486 -3.771 1.00 11.40 H new ATOM 0 HZ3 LYS A 119 9.127 -21.577 -4.787 1.00 11.40 H new ATOM 1919 N LEU A 120 12.212 -17.013 -6.729 1.00 51.43 N ATOM 1920 CA LEU A 120 13.626 -16.985 -6.374 1.00 62.11 C ATOM 1921 C LEU A 120 14.034 -18.269 -5.658 1.00 51.03 C ATOM 1922 O LEU A 120 13.681 -18.484 -4.498 1.00 22.42 O ATOM 1923 CB LEU A 120 13.924 -15.775 -5.485 1.00 40.12 C ATOM 1924 CG LEU A 120 15.305 -15.139 -5.658 1.00 62.42 C ATOM 1925 CD1 LEU A 120 15.319 -14.215 -6.866 1.00 62.14 C ATOM 1926 CD2 LEU A 120 15.704 -14.382 -4.400 1.00 30.24 C ATOM 0 H LEU A 120 11.596 -16.574 -6.045 1.00 51.43 H new ATOM 0 HA LEU A 120 14.205 -16.905 -7.294 1.00 62.11 H new ATOM 0 HB2 LEU A 120 13.168 -15.013 -5.677 1.00 40.12 H new ATOM 0 HB3 LEU A 120 13.813 -16.078 -4.444 1.00 40.12 H new ATOM 0 HG LEU A 120 16.032 -15.933 -5.826 1.00 62.42 H new ATOM 0 HD11 LEU A 120 16.309 -13.772 -6.973 1.00 62.14 H new ATOM 0 HD12 LEU A 120 15.077 -14.785 -7.763 1.00 62.14 H new ATOM 0 HD13 LEU A 120 14.581 -13.425 -6.728 1.00 62.14 H new ATOM 0 HD21 LEU A 120 16.689 -13.936 -4.541 1.00 30.24 H new ATOM 0 HD22 LEU A 120 14.975 -13.596 -4.201 1.00 30.24 H new ATOM 0 HD23 LEU A 120 15.735 -15.070 -3.555 1.00 30.24 H new TER 1938 LEU A 120