USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1082 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 118 GLN : amide:sc= 0.72 K(o=1.7,f=-4.2) USER MOD Set 1.2: A 121 LYS NZ :NH3+ -165:sc= 0.958 (180deg=0) USER MOD Set 2.1: A 48 CYS SG : rot -62:sc= 0.0568 USER MOD Set 2.2: A 54 GLN : amide:sc= 0.105 K(o=0.16,f=-0.54) USER MOD Set 3.1: A 46 THR OG1 : rot 180:sc= 0.172 USER MOD Set 3.2: A 56 GLN : amide:sc= 0.186 X(o=0.36,f=-0.0073) USER MOD Set 4.1: A 26 THR OG1 : rot -6:sc= 0.421 USER MOD Set 4.2: A 28 THR OG1 : rot 180:sc= -0.0106 USER MOD Set 5.1: A 13 ASN : amide:sc= -0.211 X(o=0.27,f=-0.069) USER MOD Set 5.2: A 16 SER OG : rot 101:sc= 0.478 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.0924 (180deg=-0.691) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0197 (180deg=-0.0246) USER MOD Single : A 2 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0529) USER MOD Single : A 3 LYS NZ :NH3+ -127:sc= 1.99 (180deg=0.144) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc=-0.00218 (180deg=-0.0589) USER MOD Single : A 7 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.37) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.19 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.116 K(o=-0.12,f=-4.9!) USER MOD Single : A 22 SER OG : rot 109:sc= 0.0402 USER MOD Single : A 25 SER OG : rot -77:sc= 1.05 USER MOD Single : A 37 LYS NZ :NH3+ -140:sc= 0.974 (180deg=0.0533) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= 0.995 (180deg=0.46) USER MOD Single : A 44 THR OG1 : rot 170:sc= -0.249 USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0155) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 77 ASN : amide:sc= -0.0441 X(o=-0.044,f=-0.54) USER MOD Single : A 81 TYR OH : rot -154:sc= 0.357 USER MOD Single : A 85 LYS NZ :NH3+ 150:sc= 0.743 (180deg=0.0764) USER MOD Single : A 86 MET CE :methyl 131:sc= -0.571 (180deg=-1.33) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 92 THR OG1 : rot -106:sc= 0.657 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 92:sc= 0.485 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 77:sc= 0.825 USER MOD Single : A 120 SER OG : rot 80:sc= 0.784 USER MOD Single : A 125 THR OG1 : rot -137:sc= 0.266 USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 HIS : no HD1:sc= -0.478 K(o=-0.48,f=0.096) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HE2:sc= 0.0096 K(o=0.0096,f=-1.9) USER MOD Single : A 134 HIS : no HE2:sc= -0.299 K(o=-0.3,f=-1.1) USER MOD Single : A 135 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 136 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.579 22.060 -8.409 1.00 3.42 N ATOM 2 CA MET A 1 -4.927 22.132 -6.963 1.00 1.52 C ATOM 3 C MET A 1 -3.693 21.868 -6.070 1.00 55.01 C ATOM 4 O MET A 1 -2.766 21.153 -6.466 1.00 4.24 O ATOM 5 CB MET A 1 -6.045 21.111 -6.626 1.00 31.51 C ATOM 6 CG MET A 1 -7.400 21.386 -7.301 1.00 14.20 C ATOM 7 SD MET A 1 -8.128 22.963 -6.795 1.00 74.32 S ATOM 8 CE MET A 1 -8.289 22.744 -5.015 1.00 63.14 C ATOM 0 H1 MET A 1 -4.771 22.978 -8.858 1.00 3.42 H new ATOM 0 H2 MET A 1 -3.571 21.828 -8.512 1.00 3.42 H new ATOM 0 H3 MET A 1 -5.152 21.324 -8.868 1.00 3.42 H new ATOM 0 HA MET A 1 -5.285 23.141 -6.760 1.00 1.52 H new ATOM 0 HB2 MET A 1 -5.707 20.116 -6.915 1.00 31.51 H new ATOM 0 HB3 MET A 1 -6.190 21.097 -5.546 1.00 31.51 H new ATOM 0 HG2 MET A 1 -7.269 21.382 -8.383 1.00 14.20 H new ATOM 0 HG3 MET A 1 -8.091 20.578 -7.061 1.00 14.20 H new ATOM 0 HE1 MET A 1 -9.073 23.401 -4.637 1.00 63.14 H new ATOM 0 HE2 MET A 1 -8.548 21.708 -4.798 1.00 63.14 H new ATOM 0 HE3 MET A 1 -7.344 22.991 -4.531 1.00 63.14 H new ATOM 20 N LYS A 2 -3.702 22.456 -4.863 1.00 0.33 N ATOM 21 CA LYS A 2 -2.709 22.170 -3.807 1.00 43.53 C ATOM 22 C LYS A 2 -2.977 20.772 -3.197 1.00 33.23 C ATOM 23 O LYS A 2 -4.097 20.500 -2.755 1.00 40.20 O ATOM 24 CB LYS A 2 -2.788 23.259 -2.701 1.00 40.33 C ATOM 25 CG LYS A 2 -1.844 23.034 -1.497 1.00 72.51 C ATOM 26 CD LYS A 2 -2.042 24.076 -0.372 1.00 53.33 C ATOM 27 CE LYS A 2 -1.642 25.503 -0.786 1.00 60.40 C ATOM 28 NZ LYS A 2 -0.187 25.611 -1.068 1.00 65.03 N ATOM 0 H LYS A 2 -4.400 23.147 -4.588 1.00 0.33 H new ATOM 0 HA LYS A 2 -1.710 22.179 -4.243 1.00 43.53 H new ATOM 0 HB2 LYS A 2 -2.559 24.227 -3.147 1.00 40.33 H new ATOM 0 HB3 LYS A 2 -3.813 23.311 -2.335 1.00 40.33 H new ATOM 0 HG2 LYS A 2 -2.011 22.035 -1.093 1.00 72.51 H new ATOM 0 HG3 LYS A 2 -0.810 23.070 -1.841 1.00 72.51 H new ATOM 0 HD2 LYS A 2 -3.088 24.074 -0.065 1.00 53.33 H new ATOM 0 HD3 LYS A 2 -1.454 23.779 0.496 1.00 53.33 H new ATOM 0 HE2 LYS A 2 -2.206 25.796 -1.672 1.00 60.40 H new ATOM 0 HE3 LYS A 2 -1.911 26.200 0.008 1.00 60.40 H new ATOM 0 HZ1 LYS A 2 0.066 26.610 -1.210 1.00 65.03 H new ATOM 0 HZ2 LYS A 2 0.352 25.229 -0.265 1.00 65.03 H new ATOM 0 HZ3 LYS A 2 0.041 25.070 -1.927 1.00 65.03 H new ATOM 42 N LYS A 3 -1.959 19.888 -3.190 1.00 72.24 N ATOM 43 CA LYS A 3 -2.080 18.538 -2.594 1.00 15.42 C ATOM 44 C LYS A 3 -1.366 18.449 -1.231 1.00 62.42 C ATOM 45 O LYS A 3 -0.370 19.141 -0.985 1.00 41.33 O ATOM 46 CB LYS A 3 -1.558 17.446 -3.561 1.00 13.30 C ATOM 47 CG LYS A 3 -2.267 17.435 -4.940 1.00 51.23 C ATOM 48 CD LYS A 3 -2.047 16.111 -5.700 1.00 32.12 C ATOM 49 CE LYS A 3 -2.613 16.139 -7.131 1.00 52.23 C ATOM 50 NZ LYS A 3 -2.326 14.887 -7.877 1.00 3.24 N ATOM 0 H LYS A 3 -1.042 20.083 -3.591 1.00 72.24 H new ATOM 0 HA LYS A 3 -3.141 18.359 -2.423 1.00 15.42 H new ATOM 0 HB2 LYS A 3 -0.489 17.592 -3.715 1.00 13.30 H new ATOM 0 HB3 LYS A 3 -1.682 16.470 -3.092 1.00 13.30 H new ATOM 0 HG2 LYS A 3 -3.336 17.597 -4.798 1.00 51.23 H new ATOM 0 HG3 LYS A 3 -1.896 18.264 -5.543 1.00 51.23 H new ATOM 0 HD2 LYS A 3 -0.979 15.895 -5.741 1.00 32.12 H new ATOM 0 HD3 LYS A 3 -2.515 15.298 -5.146 1.00 32.12 H new ATOM 0 HE2 LYS A 3 -3.691 16.295 -7.090 1.00 52.23 H new ATOM 0 HE3 LYS A 3 -2.189 16.986 -7.670 1.00 52.23 H new ATOM 0 HZ1 LYS A 3 -1.869 15.119 -8.782 1.00 3.24 H new ATOM 0 HZ2 LYS A 3 -1.692 14.285 -7.314 1.00 3.24 H new ATOM 0 HZ3 LYS A 3 -3.215 14.379 -8.058 1.00 3.24 H new ATOM 64 N GLU A 4 -1.885 17.570 -0.363 1.00 62.12 N ATOM 65 CA GLU A 4 -1.414 17.413 1.024 1.00 34.24 C ATOM 66 C GLU A 4 -0.967 15.962 1.297 1.00 74.24 C ATOM 67 O GLU A 4 -1.566 15.010 0.788 1.00 4.23 O ATOM 68 CB GLU A 4 -2.558 17.806 1.992 1.00 52.11 C ATOM 69 CG GLU A 4 -2.200 17.721 3.485 1.00 42.10 C ATOM 70 CD GLU A 4 -3.365 18.127 4.403 1.00 1.24 C ATOM 71 OE1 GLU A 4 -3.497 19.330 4.714 1.00 33.43 O ATOM 72 OE2 GLU A 4 -4.166 17.248 4.796 1.00 25.31 O ATOM 0 H GLU A 4 -2.651 16.941 -0.604 1.00 62.12 H new ATOM 0 HA GLU A 4 -0.553 18.063 1.181 1.00 34.24 H new ATOM 0 HB2 GLU A 4 -2.872 18.825 1.766 1.00 52.11 H new ATOM 0 HB3 GLU A 4 -3.414 17.159 1.801 1.00 52.11 H new ATOM 0 HG2 GLU A 4 -1.895 16.702 3.723 1.00 42.10 H new ATOM 0 HG3 GLU A 4 -1.344 18.365 3.686 1.00 42.10 H new ATOM 79 N LYS A 5 0.096 15.815 2.110 1.00 71.21 N ATOM 80 CA LYS A 5 0.543 14.507 2.625 1.00 13.02 C ATOM 81 C LYS A 5 -0.497 13.973 3.646 1.00 65.34 C ATOM 82 O LYS A 5 -0.879 14.670 4.589 1.00 0.44 O ATOM 83 CB LYS A 5 1.960 14.643 3.279 1.00 5.11 C ATOM 84 CG LYS A 5 2.755 13.318 3.499 1.00 61.11 C ATOM 85 CD LYS A 5 2.248 12.407 4.649 1.00 23.05 C ATOM 86 CE LYS A 5 2.308 13.084 6.028 1.00 2.33 C ATOM 87 NZ LYS A 5 3.681 13.530 6.380 1.00 51.33 N ATOM 0 H LYS A 5 0.668 16.598 2.428 1.00 71.21 H new ATOM 0 HA LYS A 5 0.621 13.795 1.803 1.00 13.02 H new ATOM 0 HB2 LYS A 5 2.562 15.303 2.654 1.00 5.11 H new ATOM 0 HB3 LYS A 5 1.844 15.136 4.244 1.00 5.11 H new ATOM 0 HG2 LYS A 5 2.734 12.746 2.572 1.00 61.11 H new ATOM 0 HG3 LYS A 5 3.797 13.570 3.694 1.00 61.11 H new ATOM 0 HD2 LYS A 5 1.220 12.109 4.442 1.00 23.05 H new ATOM 0 HD3 LYS A 5 2.845 11.496 4.672 1.00 23.05 H new ATOM 0 HE2 LYS A 5 1.636 13.942 6.038 1.00 2.33 H new ATOM 0 HE3 LYS A 5 1.949 12.389 6.787 1.00 2.33 H new ATOM 0 HZ1 LYS A 5 3.687 13.903 7.351 1.00 51.33 H new ATOM 0 HZ2 LYS A 5 4.335 12.724 6.315 1.00 51.33 H new ATOM 0 HZ3 LYS A 5 3.983 14.276 5.721 1.00 51.33 H new ATOM 101 N ILE A 6 -0.919 12.720 3.450 1.00 53.32 N ATOM 102 CA ILE A 6 -1.890 12.016 4.316 1.00 24.10 C ATOM 103 C ILE A 6 -1.358 10.582 4.611 1.00 62.20 C ATOM 104 O ILE A 6 -1.071 9.805 3.695 1.00 60.14 O ATOM 105 CB ILE A 6 -3.345 11.968 3.667 1.00 42.12 C ATOM 106 CG1 ILE A 6 -3.348 11.149 2.333 1.00 73.13 C ATOM 107 CG2 ILE A 6 -3.909 13.399 3.446 1.00 24.02 C ATOM 108 CD1 ILE A 6 -4.647 11.154 1.551 1.00 30.35 C ATOM 0 H ILE A 6 -0.593 12.149 2.671 1.00 53.32 H new ATOM 0 HA ILE A 6 -1.989 12.568 5.250 1.00 24.10 H new ATOM 0 HB ILE A 6 -4.001 11.456 4.370 1.00 42.12 H new ATOM 0 HG12 ILE A 6 -2.559 11.538 1.690 1.00 73.13 H new ATOM 0 HG13 ILE A 6 -3.091 10.115 2.564 1.00 73.13 H new ATOM 0 HG21 ILE A 6 -4.902 13.334 3.002 1.00 24.02 H new ATOM 0 HG22 ILE A 6 -3.972 13.917 4.403 1.00 24.02 H new ATOM 0 HG23 ILE A 6 -3.248 13.951 2.778 1.00 24.02 H new ATOM 0 HD11 ILE A 6 -4.530 10.555 0.648 1.00 30.35 H new ATOM 0 HD12 ILE A 6 -5.443 10.733 2.165 1.00 30.35 H new ATOM 0 HD13 ILE A 6 -4.903 12.178 1.277 1.00 30.35 H new ATOM 120 N HIS A 7 -1.121 10.260 5.894 1.00 2.12 N ATOM 121 CA HIS A 7 -0.803 8.874 6.298 1.00 3.31 C ATOM 122 C HIS A 7 -2.088 8.155 6.761 1.00 34.13 C ATOM 123 O HIS A 7 -2.735 8.573 7.727 1.00 52.13 O ATOM 124 CB HIS A 7 0.314 8.823 7.383 1.00 61.13 C ATOM 125 CG HIS A 7 -0.030 9.447 8.713 1.00 41.51 C ATOM 126 ND1 HIS A 7 -0.506 8.721 9.788 1.00 62.14 N ATOM 127 CD2 HIS A 7 0.036 10.731 9.139 1.00 43.12 C ATOM 128 CE1 HIS A 7 -0.721 9.528 10.803 1.00 53.44 C ATOM 129 NE2 HIS A 7 -0.397 10.752 10.440 1.00 4.11 N ATOM 0 H HIS A 7 -1.142 10.930 6.663 1.00 2.12 H new ATOM 0 HA HIS A 7 -0.406 8.347 5.430 1.00 3.31 H new ATOM 0 HB2 HIS A 7 0.583 7.780 7.551 1.00 61.13 H new ATOM 0 HB3 HIS A 7 1.200 9.321 6.988 1.00 61.13 H new ATOM 0 HD2 HIS A 7 0.368 11.581 8.561 1.00 43.12 H new ATOM 0 HE1 HIS A 7 -1.100 9.237 11.772 1.00 53.44 H new ATOM 0 HE2 HIS A 7 -0.458 11.581 11.031 1.00 4.11 H new ATOM 138 N LEU A 8 -2.464 7.081 6.053 1.00 53.34 N ATOM 139 CA LEU A 8 -3.633 6.264 6.403 1.00 35.12 C ATOM 140 C LEU A 8 -3.116 5.080 7.246 1.00 50.13 C ATOM 141 O LEU A 8 -2.390 4.222 6.740 1.00 21.40 O ATOM 142 CB LEU A 8 -4.364 5.741 5.119 1.00 4.23 C ATOM 143 CG LEU A 8 -4.925 6.810 4.112 1.00 54.05 C ATOM 144 CD1 LEU A 8 -5.768 7.881 4.832 1.00 52.14 C ATOM 145 CD2 LEU A 8 -3.809 7.444 3.246 1.00 34.03 C ATOM 0 H LEU A 8 -1.967 6.755 5.224 1.00 53.34 H new ATOM 0 HA LEU A 8 -4.358 6.858 6.960 1.00 35.12 H new ATOM 0 HB2 LEU A 8 -3.670 5.100 4.576 1.00 4.23 H new ATOM 0 HB3 LEU A 8 -5.195 5.112 5.439 1.00 4.23 H new ATOM 0 HG LEU A 8 -5.588 6.280 3.427 1.00 54.05 H new ATOM 0 HD11 LEU A 8 -6.139 8.602 4.104 1.00 52.14 H new ATOM 0 HD12 LEU A 8 -6.611 7.405 5.332 1.00 52.14 H new ATOM 0 HD13 LEU A 8 -5.151 8.394 5.570 1.00 52.14 H new ATOM 0 HD21 LEU A 8 -4.247 8.176 2.567 1.00 34.03 H new ATOM 0 HD22 LEU A 8 -3.083 7.938 3.892 1.00 34.03 H new ATOM 0 HD23 LEU A 8 -3.310 6.666 2.668 1.00 34.03 H new ATOM 157 N GLU A 9 -3.488 5.040 8.536 1.00 44.23 N ATOM 158 CA GLU A 9 -2.807 4.186 9.539 1.00 41.05 C ATOM 159 C GLU A 9 -3.804 3.263 10.284 1.00 60.03 C ATOM 160 O GLU A 9 -4.757 3.726 10.906 1.00 30.20 O ATOM 161 CB GLU A 9 -2.023 5.103 10.513 1.00 12.21 C ATOM 162 CG GLU A 9 -1.004 4.378 11.412 1.00 60.10 C ATOM 163 CD GLU A 9 -0.122 5.348 12.226 1.00 24.44 C ATOM 164 OE1 GLU A 9 0.430 6.297 11.626 1.00 12.54 O ATOM 165 OE2 GLU A 9 0.023 5.176 13.455 1.00 42.32 O ATOM 0 H GLU A 9 -4.259 5.589 8.916 1.00 44.23 H new ATOM 0 HA GLU A 9 -2.109 3.518 9.034 1.00 41.05 H new ATOM 0 HB2 GLU A 9 -1.497 5.860 9.931 1.00 12.21 H new ATOM 0 HB3 GLU A 9 -2.737 5.627 11.148 1.00 12.21 H new ATOM 0 HG2 GLU A 9 -1.537 3.718 12.097 1.00 60.10 H new ATOM 0 HG3 GLU A 9 -0.366 3.747 10.793 1.00 60.10 H new ATOM 172 N TYR A 10 -3.546 1.946 10.237 1.00 44.14 N ATOM 173 CA TYR A 10 -4.515 0.902 10.659 1.00 52.00 C ATOM 174 C TYR A 10 -3.907 -0.002 11.749 1.00 74.34 C ATOM 175 O TYR A 10 -2.708 -0.256 11.751 1.00 72.22 O ATOM 176 CB TYR A 10 -4.923 0.051 9.424 1.00 23.21 C ATOM 177 CG TYR A 10 -5.385 0.892 8.218 1.00 51.24 C ATOM 178 CD1 TYR A 10 -6.644 1.498 8.208 1.00 20.24 C ATOM 179 CD2 TYR A 10 -4.563 1.092 7.101 1.00 71.13 C ATOM 180 CE1 TYR A 10 -7.056 2.274 7.144 1.00 41.34 C ATOM 181 CE2 TYR A 10 -4.980 1.866 6.032 1.00 24.13 C ATOM 182 CZ TYR A 10 -6.231 2.450 6.057 1.00 72.25 C ATOM 183 OH TYR A 10 -6.656 3.227 4.998 1.00 4.11 O ATOM 0 H TYR A 10 -2.659 1.567 9.905 1.00 44.14 H new ATOM 0 HA TYR A 10 -5.397 1.387 11.077 1.00 52.00 H new ATOM 0 HB2 TYR A 10 -4.076 -0.566 9.123 1.00 23.21 H new ATOM 0 HB3 TYR A 10 -5.726 -0.628 9.711 1.00 23.21 H new ATOM 0 HD1 TYR A 10 -7.307 1.356 9.049 1.00 20.24 H new ATOM 0 HD2 TYR A 10 -3.586 0.634 7.074 1.00 71.13 H new ATOM 0 HE1 TYR A 10 -8.028 2.744 7.164 1.00 41.34 H new ATOM 0 HE2 TYR A 10 -4.330 2.013 5.182 1.00 24.13 H new ATOM 0 HH TYR A 10 -5.958 3.253 4.311 1.00 4.11 H new ATOM 193 N LEU A 11 -4.739 -0.495 12.681 1.00 74.14 N ATOM 194 CA LEU A 11 -4.296 -1.469 13.710 1.00 14.10 C ATOM 195 C LEU A 11 -4.902 -2.870 13.432 1.00 14.14 C ATOM 196 O LEU A 11 -6.085 -3.123 13.681 1.00 74.35 O ATOM 197 CB LEU A 11 -4.600 -0.923 15.158 1.00 33.25 C ATOM 198 CG LEU A 11 -5.785 0.103 15.324 1.00 3.51 C ATOM 199 CD1 LEU A 11 -7.172 -0.538 15.084 1.00 21.53 C ATOM 200 CD2 LEU A 11 -5.726 0.801 16.705 1.00 22.14 C ATOM 0 H LEU A 11 -5.724 -0.239 12.749 1.00 74.14 H new ATOM 0 HA LEU A 11 -3.214 -1.591 13.654 1.00 14.10 H new ATOM 0 HB2 LEU A 11 -4.805 -1.778 15.802 1.00 33.25 H new ATOM 0 HB3 LEU A 11 -3.693 -0.450 15.535 1.00 33.25 H new ATOM 0 HG LEU A 11 -5.654 0.858 14.549 1.00 3.51 H new ATOM 0 HD11 LEU A 11 -7.948 0.216 15.212 1.00 21.53 H new ATOM 0 HD12 LEU A 11 -7.218 -0.938 14.071 1.00 21.53 H new ATOM 0 HD13 LEU A 11 -7.329 -1.345 15.800 1.00 21.53 H new ATOM 0 HD21 LEU A 11 -6.555 1.504 16.793 1.00 22.14 H new ATOM 0 HD22 LEU A 11 -5.799 0.053 17.494 1.00 22.14 H new ATOM 0 HD23 LEU A 11 -4.783 1.339 16.801 1.00 22.14 H new ATOM 212 N LEU A 12 -4.078 -3.774 12.870 1.00 21.01 N ATOM 213 CA LEU A 12 -4.488 -5.162 12.564 1.00 55.41 C ATOM 214 C LEU A 12 -4.238 -6.121 13.741 1.00 23.23 C ATOM 215 O LEU A 12 -3.721 -5.734 14.789 1.00 30.51 O ATOM 216 CB LEU A 12 -3.786 -5.684 11.275 1.00 41.02 C ATOM 217 CG LEU A 12 -4.383 -5.163 9.931 1.00 73.45 C ATOM 218 CD1 LEU A 12 -3.992 -3.699 9.655 1.00 3.43 C ATOM 219 CD2 LEU A 12 -4.007 -6.093 8.763 1.00 1.51 C ATOM 0 H LEU A 12 -3.112 -3.566 12.615 1.00 21.01 H new ATOM 0 HA LEU A 12 -5.564 -5.138 12.390 1.00 55.41 H new ATOM 0 HB2 LEU A 12 -2.733 -5.406 11.317 1.00 41.02 H new ATOM 0 HB3 LEU A 12 -3.829 -6.773 11.274 1.00 41.02 H new ATOM 0 HG LEU A 12 -5.469 -5.178 10.025 1.00 73.45 H new ATOM 0 HD11 LEU A 12 -4.429 -3.378 8.710 1.00 3.43 H new ATOM 0 HD12 LEU A 12 -4.363 -3.065 10.460 1.00 3.43 H new ATOM 0 HD13 LEU A 12 -2.907 -3.617 9.600 1.00 3.43 H new ATOM 0 HD21 LEU A 12 -4.436 -5.707 7.838 1.00 1.51 H new ATOM 0 HD22 LEU A 12 -2.922 -6.138 8.669 1.00 1.51 H new ATOM 0 HD23 LEU A 12 -4.397 -7.093 8.954 1.00 1.51 H new ATOM 231 N ASN A 13 -4.628 -7.387 13.530 1.00 62.01 N ATOM 232 CA ASN A 13 -4.601 -8.432 14.563 1.00 43.13 C ATOM 233 C ASN A 13 -3.171 -8.967 14.852 1.00 61.30 C ATOM 234 O ASN A 13 -2.231 -8.717 14.086 1.00 21.30 O ATOM 235 CB ASN A 13 -5.554 -9.585 14.153 1.00 60.34 C ATOM 236 CG ASN A 13 -5.198 -10.199 12.793 1.00 73.12 C ATOM 237 OD1 ASN A 13 -5.627 -9.720 11.751 1.00 43.02 O ATOM 238 ND2 ASN A 13 -4.424 -11.266 12.789 1.00 33.31 N ATOM 0 H ASN A 13 -4.974 -7.717 12.629 1.00 62.01 H new ATOM 0 HA ASN A 13 -4.944 -7.983 15.495 1.00 43.13 H new ATOM 0 HB2 ASN A 13 -5.524 -10.363 14.916 1.00 60.34 H new ATOM 0 HB3 ASN A 13 -6.577 -9.210 14.120 1.00 60.34 H new ATOM 0 HD21 ASN A 13 -4.171 -11.709 11.906 1.00 33.31 H new ATOM 0 HD22 ASN A 13 -4.078 -11.648 13.669 1.00 33.31 H new ATOM 245 N ALA A 14 -3.046 -9.724 15.960 1.00 40.21 N ATOM 246 CA ALA A 14 -1.763 -10.301 16.438 1.00 1.43 C ATOM 247 C ALA A 14 -1.175 -11.344 15.457 1.00 41.30 C ATOM 248 O ALA A 14 -0.006 -11.257 15.060 1.00 73.14 O ATOM 249 CB ALA A 14 -1.950 -10.915 17.842 1.00 32.22 C ATOM 0 H ALA A 14 -3.838 -9.957 16.558 1.00 40.21 H new ATOM 0 HA ALA A 14 -1.041 -9.486 16.493 1.00 1.43 H new ATOM 0 HB1 ALA A 14 -1.004 -11.335 18.184 1.00 32.22 H new ATOM 0 HB2 ALA A 14 -2.276 -10.141 18.537 1.00 32.22 H new ATOM 0 HB3 ALA A 14 -2.702 -11.703 17.797 1.00 32.22 H new ATOM 255 N THR A 15 -1.994 -12.336 15.070 1.00 12.14 N ATOM 256 CA THR A 15 -1.573 -13.390 14.117 1.00 74.11 C ATOM 257 C THR A 15 -1.739 -12.899 12.659 1.00 54.23 C ATOM 258 O THR A 15 -2.655 -13.307 11.942 1.00 14.10 O ATOM 259 CB THR A 15 -2.363 -14.730 14.356 1.00 2.44 C ATOM 260 OG1 THR A 15 -2.317 -15.067 15.752 1.00 13.41 O ATOM 261 CG2 THR A 15 -1.784 -15.909 13.540 1.00 24.01 C ATOM 0 H THR A 15 -2.954 -12.435 15.400 1.00 12.14 H new ATOM 0 HA THR A 15 -0.518 -13.599 14.291 1.00 74.11 H new ATOM 0 HB THR A 15 -3.389 -14.566 14.026 1.00 2.44 H new ATOM 0 HG1 THR A 15 -2.810 -15.900 15.904 1.00 13.41 H new ATOM 0 HG21 THR A 15 -2.364 -16.810 13.740 1.00 24.01 H new ATOM 0 HG22 THR A 15 -1.833 -15.675 12.477 1.00 24.01 H new ATOM 0 HG23 THR A 15 -0.746 -16.075 13.827 1.00 24.01 H new ATOM 269 N SER A 16 -0.888 -11.945 12.257 1.00 43.34 N ATOM 270 CA SER A 16 -0.841 -11.424 10.871 1.00 23.01 C ATOM 271 C SER A 16 0.525 -11.731 10.229 1.00 63.25 C ATOM 272 O SER A 16 1.440 -12.235 10.889 1.00 74.51 O ATOM 273 CB SER A 16 -1.119 -9.899 10.840 1.00 25.51 C ATOM 274 OG SER A 16 -2.449 -9.592 11.229 1.00 51.05 O ATOM 0 H SER A 16 -0.209 -11.508 12.880 1.00 43.34 H new ATOM 0 HA SER A 16 -1.621 -11.923 10.296 1.00 23.01 H new ATOM 0 HB2 SER A 16 -0.421 -9.390 11.504 1.00 25.51 H new ATOM 0 HB3 SER A 16 -0.938 -9.518 9.835 1.00 25.51 H new ATOM 0 HG SER A 16 -2.455 -9.281 12.158 1.00 51.05 H new ATOM 280 N LYS A 17 0.649 -11.409 8.940 1.00 45.14 N ATOM 281 CA LYS A 17 1.863 -11.673 8.143 1.00 72.24 C ATOM 282 C LYS A 17 2.250 -10.403 7.369 1.00 14.40 C ATOM 283 O LYS A 17 1.382 -9.683 6.904 1.00 35.35 O ATOM 284 CB LYS A 17 1.577 -12.847 7.165 1.00 13.12 C ATOM 285 CG LYS A 17 2.751 -13.306 6.247 1.00 62.05 C ATOM 286 CD LYS A 17 3.796 -14.235 6.939 1.00 44.52 C ATOM 287 CE LYS A 17 4.812 -13.501 7.835 1.00 52.11 C ATOM 288 NZ LYS A 17 5.734 -14.441 8.511 1.00 74.44 N ATOM 0 H LYS A 17 -0.093 -10.953 8.409 1.00 45.14 H new ATOM 0 HA LYS A 17 2.692 -11.948 8.795 1.00 72.24 H new ATOM 0 HB2 LYS A 17 1.251 -13.705 7.752 1.00 13.12 H new ATOM 0 HB3 LYS A 17 0.741 -12.561 6.527 1.00 13.12 H new ATOM 0 HG2 LYS A 17 2.337 -13.828 5.384 1.00 62.05 H new ATOM 0 HG3 LYS A 17 3.265 -12.422 5.869 1.00 62.05 H new ATOM 0 HD2 LYS A 17 3.265 -14.971 7.542 1.00 44.52 H new ATOM 0 HD3 LYS A 17 4.340 -14.785 6.170 1.00 44.52 H new ATOM 0 HE2 LYS A 17 5.388 -12.799 7.231 1.00 52.11 H new ATOM 0 HE3 LYS A 17 4.279 -12.915 8.583 1.00 52.11 H new ATOM 0 HZ1 LYS A 17 6.401 -13.907 9.104 1.00 74.44 H new ATOM 0 HZ2 LYS A 17 5.188 -15.095 9.107 1.00 74.44 H new ATOM 0 HZ3 LYS A 17 6.262 -14.983 7.797 1.00 74.44 H new ATOM 302 N ASN A 18 3.550 -10.118 7.241 1.00 40.34 N ATOM 303 CA ASN A 18 4.029 -8.948 6.466 1.00 4.51 C ATOM 304 C ASN A 18 3.619 -8.999 4.958 1.00 62.12 C ATOM 305 O ASN A 18 3.409 -7.960 4.330 1.00 74.34 O ATOM 306 CB ASN A 18 5.560 -8.763 6.634 1.00 1.42 C ATOM 307 CG ASN A 18 6.403 -10.025 6.410 1.00 53.43 C ATOM 308 OD1 ASN A 18 6.026 -10.929 5.678 1.00 54.33 O ATOM 309 ND2 ASN A 18 7.569 -10.085 7.035 1.00 21.44 N ATOM 0 H ASN A 18 4.295 -10.675 7.660 1.00 40.34 H new ATOM 0 HA ASN A 18 3.529 -8.073 6.881 1.00 4.51 H new ATOM 0 HB2 ASN A 18 5.895 -7.994 5.937 1.00 1.42 H new ATOM 0 HB3 ASN A 18 5.756 -8.389 7.639 1.00 1.42 H new ATOM 0 HD21 ASN A 18 8.173 -10.897 6.910 1.00 21.44 H new ATOM 0 HD22 ASN A 18 7.863 -9.319 7.641 1.00 21.44 H new ATOM 316 N ILE A 19 3.486 -10.226 4.413 1.00 31.43 N ATOM 317 CA ILE A 19 3.093 -10.488 2.998 1.00 23.04 C ATOM 318 C ILE A 19 1.722 -9.844 2.602 1.00 31.43 C ATOM 319 O ILE A 19 1.445 -9.703 1.411 1.00 51.21 O ATOM 320 CB ILE A 19 3.112 -12.046 2.704 1.00 32.14 C ATOM 321 CG1 ILE A 19 4.512 -12.660 3.064 1.00 34.04 C ATOM 322 CG2 ILE A 19 2.744 -12.396 1.232 1.00 65.23 C ATOM 323 CD1 ILE A 19 5.689 -12.074 2.291 1.00 24.12 C ATOM 0 H ILE A 19 3.649 -11.081 4.945 1.00 31.43 H new ATOM 0 HA ILE A 19 3.835 -9.999 2.367 1.00 23.04 H new ATOM 0 HB ILE A 19 2.342 -12.485 3.339 1.00 32.14 H new ATOM 0 HG12 ILE A 19 4.691 -12.520 4.130 1.00 34.04 H new ATOM 0 HG13 ILE A 19 4.478 -13.735 2.885 1.00 34.04 H new ATOM 0 HG21 ILE A 19 2.775 -13.477 1.096 1.00 65.23 H new ATOM 0 HG22 ILE A 19 1.741 -12.031 1.011 1.00 65.23 H new ATOM 0 HG23 ILE A 19 3.458 -11.925 0.557 1.00 65.23 H new ATOM 0 HD11 ILE A 19 6.611 -12.561 2.608 1.00 24.12 H new ATOM 0 HD12 ILE A 19 5.541 -12.238 1.224 1.00 24.12 H new ATOM 0 HD13 ILE A 19 5.757 -11.004 2.488 1.00 24.12 H new ATOM 335 N LEU A 20 0.889 -9.444 3.604 1.00 0.41 N ATOM 336 CA LEU A 20 -0.418 -8.744 3.376 1.00 35.22 C ATOM 337 C LEU A 20 -0.306 -7.663 2.265 1.00 31.31 C ATOM 338 O LEU A 20 -0.983 -7.734 1.236 1.00 24.13 O ATOM 339 CB LEU A 20 -0.911 -8.067 4.691 1.00 33.30 C ATOM 340 CG LEU A 20 -1.376 -9.013 5.840 1.00 40.04 C ATOM 341 CD1 LEU A 20 -1.535 -8.227 7.164 1.00 33.42 C ATOM 342 CD2 LEU A 20 -2.674 -9.769 5.470 1.00 15.45 C ATOM 0 H LEU A 20 1.100 -9.595 4.591 1.00 0.41 H new ATOM 0 HA LEU A 20 -1.134 -9.501 3.056 1.00 35.22 H new ATOM 0 HB2 LEU A 20 -0.105 -7.440 5.073 1.00 33.30 H new ATOM 0 HB3 LEU A 20 -1.739 -7.404 4.441 1.00 33.30 H new ATOM 0 HG LEU A 20 -0.602 -9.766 5.985 1.00 40.04 H new ATOM 0 HD11 LEU A 20 -1.860 -8.905 7.953 1.00 33.42 H new ATOM 0 HD12 LEU A 20 -0.579 -7.781 7.440 1.00 33.42 H new ATOM 0 HD13 LEU A 20 -2.278 -7.440 7.033 1.00 33.42 H new ATOM 0 HD21 LEU A 20 -2.965 -10.418 6.296 1.00 15.45 H new ATOM 0 HD22 LEU A 20 -3.470 -9.051 5.274 1.00 15.45 H new ATOM 0 HD23 LEU A 20 -2.502 -10.372 4.578 1.00 15.45 H new ATOM 354 N TRP A 21 0.564 -6.673 2.497 1.00 3.42 N ATOM 355 CA TRP A 21 0.929 -5.671 1.481 1.00 21.23 C ATOM 356 C TRP A 21 2.271 -5.995 0.809 1.00 1.55 C ATOM 357 O TRP A 21 2.443 -5.666 -0.346 1.00 1.52 O ATOM 358 CB TRP A 21 0.950 -4.259 2.093 1.00 14.02 C ATOM 359 CG TRP A 21 -0.426 -3.634 2.235 1.00 21.32 C ATOM 360 CD1 TRP A 21 -1.278 -3.723 3.297 1.00 24.11 C ATOM 361 CD2 TRP A 21 -1.098 -2.825 1.252 1.00 65.53 C ATOM 362 NE1 TRP A 21 -2.411 -2.989 3.052 1.00 15.31 N ATOM 363 CE2 TRP A 21 -2.328 -2.435 1.804 1.00 23.54 C ATOM 364 CE3 TRP A 21 -0.766 -2.387 -0.037 1.00 73.50 C ATOM 365 CZ2 TRP A 21 -3.229 -1.622 1.118 1.00 2.11 C ATOM 366 CZ3 TRP A 21 -1.660 -1.584 -0.721 1.00 30.04 C ATOM 367 CH2 TRP A 21 -2.880 -1.204 -0.141 1.00 51.21 C ATOM 0 H TRP A 21 1.036 -6.541 3.392 1.00 3.42 H new ATOM 0 HA TRP A 21 0.165 -5.702 0.705 1.00 21.23 H new ATOM 0 HB2 TRP A 21 1.421 -4.305 3.075 1.00 14.02 H new ATOM 0 HB3 TRP A 21 1.570 -3.613 1.472 1.00 14.02 H new ATOM 0 HD1 TRP A 21 -1.088 -4.288 4.198 1.00 24.11 H new ATOM 0 HE1 TRP A 21 -3.192 -2.875 3.698 1.00 15.31 H new ATOM 0 HE3 TRP A 21 0.173 -2.672 -0.489 1.00 73.50 H new ATOM 0 HZ2 TRP A 21 -4.169 -1.331 1.562 1.00 2.11 H new ATOM 0 HZ3 TRP A 21 -1.416 -1.244 -1.717 1.00 30.04 H new ATOM 0 HH2 TRP A 21 -3.556 -0.571 -0.696 1.00 51.21 H new ATOM 378 N SER A 22 3.215 -6.650 1.527 1.00 32.11 N ATOM 379 CA SER A 22 4.568 -6.994 0.966 1.00 13.44 C ATOM 380 C SER A 22 4.485 -7.878 -0.312 1.00 2.20 C ATOM 381 O SER A 22 5.464 -8.005 -1.044 1.00 21.55 O ATOM 382 CB SER A 22 5.476 -7.660 2.028 1.00 72.30 C ATOM 383 OG SER A 22 6.784 -7.911 1.526 1.00 10.11 O ATOM 0 H SER A 22 3.077 -6.954 2.491 1.00 32.11 H new ATOM 0 HA SER A 22 5.019 -6.046 0.673 1.00 13.44 H new ATOM 0 HB2 SER A 22 5.541 -7.016 2.905 1.00 72.30 H new ATOM 0 HB3 SER A 22 5.026 -8.598 2.354 1.00 72.30 H new ATOM 0 HG SER A 22 7.420 -7.295 1.946 1.00 10.11 H new ATOM 389 N ALA A 23 3.308 -8.487 -0.560 1.00 44.25 N ATOM 390 CA ALA A 23 2.993 -9.200 -1.825 1.00 23.22 C ATOM 391 C ALA A 23 3.265 -8.329 -3.086 1.00 41.24 C ATOM 392 O ALA A 23 3.606 -8.854 -4.148 1.00 53.23 O ATOM 393 CB ALA A 23 1.523 -9.640 -1.798 1.00 20.44 C ATOM 0 H ALA A 23 2.541 -8.501 0.113 1.00 44.25 H new ATOM 0 HA ALA A 23 3.651 -10.067 -1.893 1.00 23.22 H new ATOM 0 HB1 ALA A 23 1.283 -10.164 -2.723 1.00 20.44 H new ATOM 0 HB2 ALA A 23 1.358 -10.305 -0.950 1.00 20.44 H new ATOM 0 HB3 ALA A 23 0.883 -8.763 -1.701 1.00 20.44 H new ATOM 399 N ILE A 24 3.129 -6.992 -2.939 1.00 33.44 N ATOM 400 CA ILE A 24 3.336 -6.022 -4.039 1.00 12.33 C ATOM 401 C ILE A 24 4.825 -5.872 -4.451 1.00 52.33 C ATOM 402 O ILE A 24 5.123 -5.277 -5.488 1.00 3.44 O ATOM 403 CB ILE A 24 2.719 -4.609 -3.701 1.00 51.31 C ATOM 404 CG1 ILE A 24 3.518 -3.899 -2.555 1.00 11.12 C ATOM 405 CG2 ILE A 24 1.219 -4.751 -3.349 1.00 71.22 C ATOM 406 CD1 ILE A 24 2.875 -2.649 -1.974 1.00 11.13 C ATOM 0 H ILE A 24 2.873 -6.554 -2.054 1.00 33.44 H new ATOM 0 HA ILE A 24 2.805 -6.439 -4.895 1.00 12.33 H new ATOM 0 HB ILE A 24 2.800 -3.976 -4.584 1.00 51.31 H new ATOM 0 HG12 ILE A 24 3.671 -4.615 -1.747 1.00 11.12 H new ATOM 0 HG13 ILE A 24 4.504 -3.633 -2.936 1.00 11.12 H new ATOM 0 HG21 ILE A 24 0.805 -3.770 -3.118 1.00 71.22 H new ATOM 0 HG22 ILE A 24 0.685 -5.179 -4.197 1.00 71.22 H new ATOM 0 HG23 ILE A 24 1.109 -5.404 -2.484 1.00 71.22 H new ATOM 0 HD11 ILE A 24 3.514 -2.242 -1.190 1.00 11.13 H new ATOM 0 HD12 ILE A 24 2.748 -1.906 -2.761 1.00 11.13 H new ATOM 0 HD13 ILE A 24 1.902 -2.902 -1.554 1.00 11.13 H new ATOM 418 N SER A 25 5.746 -6.403 -3.630 1.00 63.50 N ATOM 419 CA SER A 25 7.192 -6.429 -3.962 1.00 10.45 C ATOM 420 C SER A 25 7.500 -7.521 -5.009 1.00 41.11 C ATOM 421 O SER A 25 8.437 -7.391 -5.811 1.00 35.11 O ATOM 422 CB SER A 25 8.046 -6.665 -2.690 1.00 50.33 C ATOM 423 OG SER A 25 7.983 -8.014 -2.246 1.00 74.24 O ATOM 0 H SER A 25 5.520 -6.823 -2.728 1.00 63.50 H new ATOM 0 HA SER A 25 7.450 -5.458 -4.384 1.00 10.45 H new ATOM 0 HB2 SER A 25 9.083 -6.400 -2.896 1.00 50.33 H new ATOM 0 HB3 SER A 25 7.700 -6.005 -1.894 1.00 50.33 H new ATOM 0 HG SER A 25 7.130 -8.168 -1.789 1.00 74.24 H new ATOM 429 N THR A 26 6.705 -8.609 -4.971 1.00 4.12 N ATOM 430 CA THR A 26 6.860 -9.770 -5.876 1.00 30.33 C ATOM 431 C THR A 26 5.818 -9.751 -7.017 1.00 40.21 C ATOM 432 O THR A 26 4.701 -9.269 -6.820 1.00 10.31 O ATOM 433 CB THR A 26 6.711 -11.126 -5.099 1.00 5.15 C ATOM 434 OG1 THR A 26 5.418 -11.221 -4.465 1.00 75.22 O ATOM 435 CG2 THR A 26 7.817 -11.287 -4.050 1.00 34.13 C ATOM 0 H THR A 26 5.934 -8.709 -4.310 1.00 4.12 H new ATOM 0 HA THR A 26 7.862 -9.693 -6.298 1.00 30.33 H new ATOM 0 HB THR A 26 6.803 -11.930 -5.829 1.00 5.15 H new ATOM 0 HG1 THR A 26 4.937 -10.374 -4.574 1.00 75.22 H new ATOM 0 HG21 THR A 26 7.688 -12.235 -3.528 1.00 34.13 H new ATOM 0 HG22 THR A 26 8.790 -11.273 -4.542 1.00 34.13 H new ATOM 0 HG23 THR A 26 7.761 -10.468 -3.333 1.00 34.13 H new ATOM 443 N PRO A 27 6.179 -10.279 -8.234 1.00 24.25 N ATOM 444 CA PRO A 27 5.216 -10.504 -9.349 1.00 14.34 C ATOM 445 C PRO A 27 4.018 -11.407 -8.935 1.00 63.30 C ATOM 446 O PRO A 27 2.855 -11.030 -9.114 1.00 32.55 O ATOM 447 CB PRO A 27 6.099 -11.193 -10.443 1.00 11.41 C ATOM 448 CG PRO A 27 7.303 -11.695 -9.695 1.00 32.34 C ATOM 449 CD PRO A 27 7.559 -10.658 -8.643 1.00 14.35 C ATOM 0 HA PRO A 27 4.747 -9.579 -9.685 1.00 14.34 H new ATOM 0 HB2 PRO A 27 5.564 -12.010 -10.928 1.00 11.41 H new ATOM 0 HB3 PRO A 27 6.383 -10.489 -11.225 1.00 11.41 H new ATOM 0 HG2 PRO A 27 7.113 -12.672 -9.250 1.00 32.34 H new ATOM 0 HG3 PRO A 27 8.162 -11.808 -10.357 1.00 32.34 H new ATOM 0 HD2 PRO A 27 8.136 -11.058 -7.809 1.00 14.35 H new ATOM 0 HD3 PRO A 27 8.115 -9.807 -9.037 1.00 14.35 H new ATOM 457 N THR A 28 4.343 -12.599 -8.379 1.00 32.54 N ATOM 458 CA THR A 28 3.361 -13.612 -7.908 1.00 74.31 C ATOM 459 C THR A 28 2.314 -13.041 -6.925 1.00 33.40 C ATOM 460 O THR A 28 1.101 -13.247 -7.099 1.00 25.21 O ATOM 461 CB THR A 28 4.105 -14.815 -7.227 1.00 41.44 C ATOM 462 OG1 THR A 28 4.897 -14.346 -6.116 1.00 72.31 O ATOM 463 CG2 THR A 28 5.018 -15.558 -8.219 1.00 4.45 C ATOM 0 H THR A 28 5.311 -12.891 -8.242 1.00 32.54 H new ATOM 0 HA THR A 28 2.823 -13.947 -8.795 1.00 74.31 H new ATOM 0 HB THR A 28 3.342 -15.510 -6.875 1.00 41.44 H new ATOM 0 HG1 THR A 28 5.355 -15.105 -5.698 1.00 72.31 H new ATOM 0 HG21 THR A 28 5.515 -16.383 -7.709 1.00 4.45 H new ATOM 0 HG22 THR A 28 4.420 -15.948 -9.042 1.00 4.45 H new ATOM 0 HG23 THR A 28 5.767 -14.870 -8.610 1.00 4.45 H new ATOM 471 N GLY A 29 2.800 -12.329 -5.899 1.00 15.04 N ATOM 472 CA GLY A 29 1.928 -11.720 -4.888 1.00 31.20 C ATOM 473 C GLY A 29 1.065 -10.574 -5.431 1.00 72.35 C ATOM 474 O GLY A 29 -0.079 -10.410 -5.019 1.00 22.04 O ATOM 0 H GLY A 29 3.795 -12.161 -5.748 1.00 15.04 H new ATOM 0 HA2 GLY A 29 1.277 -12.488 -4.472 1.00 31.20 H new ATOM 0 HA3 GLY A 29 2.542 -11.345 -4.069 1.00 31.20 H new ATOM 478 N LEU A 30 1.639 -9.785 -6.351 1.00 54.01 N ATOM 479 CA LEU A 30 0.976 -8.602 -6.965 1.00 72.20 C ATOM 480 C LEU A 30 -0.240 -8.997 -7.849 1.00 13.21 C ATOM 481 O LEU A 30 -1.356 -8.501 -7.649 1.00 11.41 O ATOM 482 CB LEU A 30 2.026 -7.782 -7.794 1.00 54.13 C ATOM 483 CG LEU A 30 2.178 -6.281 -7.415 1.00 73.14 C ATOM 484 CD1 LEU A 30 3.329 -5.623 -8.183 1.00 12.11 C ATOM 485 CD2 LEU A 30 0.867 -5.503 -7.590 1.00 11.42 C ATOM 0 H LEU A 30 2.584 -9.943 -6.700 1.00 54.01 H new ATOM 0 HA LEU A 30 0.585 -7.982 -6.158 1.00 72.20 H new ATOM 0 HB2 LEU A 30 2.998 -8.263 -7.687 1.00 54.13 H new ATOM 0 HB3 LEU A 30 1.754 -7.844 -8.848 1.00 54.13 H new ATOM 0 HG LEU A 30 2.426 -6.246 -6.354 1.00 73.14 H new ATOM 0 HD11 LEU A 30 3.407 -4.575 -7.894 1.00 12.11 H new ATOM 0 HD12 LEU A 30 4.262 -6.135 -7.948 1.00 12.11 H new ATOM 0 HD13 LEU A 30 3.138 -5.691 -9.254 1.00 12.11 H new ATOM 0 HD21 LEU A 30 1.023 -4.460 -7.313 1.00 11.42 H new ATOM 0 HD22 LEU A 30 0.547 -5.558 -8.631 1.00 11.42 H new ATOM 0 HD23 LEU A 30 0.098 -5.937 -6.951 1.00 11.42 H new ATOM 497 N GLU A 31 -0.004 -9.906 -8.816 1.00 12.12 N ATOM 498 CA GLU A 31 -1.034 -10.354 -9.799 1.00 51.34 C ATOM 499 C GLU A 31 -2.218 -11.099 -9.138 1.00 14.13 C ATOM 500 O GLU A 31 -3.266 -11.293 -9.763 1.00 23.32 O ATOM 501 CB GLU A 31 -0.371 -11.250 -10.872 1.00 22.30 C ATOM 502 CG GLU A 31 0.249 -12.566 -10.343 1.00 31.14 C ATOM 503 CD GLU A 31 1.105 -13.325 -11.374 1.00 74.43 C ATOM 504 OE1 GLU A 31 0.897 -13.153 -12.593 1.00 32.43 O ATOM 505 OE2 GLU A 31 1.998 -14.097 -10.968 1.00 74.41 O ATOM 0 H GLU A 31 0.903 -10.355 -8.945 1.00 12.12 H new ATOM 0 HA GLU A 31 -1.450 -9.459 -10.261 1.00 51.34 H new ATOM 0 HB2 GLU A 31 -1.117 -11.497 -11.627 1.00 22.30 H new ATOM 0 HB3 GLU A 31 0.409 -10.675 -11.371 1.00 22.30 H new ATOM 0 HG2 GLU A 31 0.866 -12.339 -9.473 1.00 31.14 H new ATOM 0 HG3 GLU A 31 -0.553 -13.220 -10.003 1.00 31.14 H new ATOM 512 N ASP A 32 -2.023 -11.522 -7.879 1.00 24.00 N ATOM 513 CA ASP A 32 -3.061 -12.179 -7.075 1.00 14.11 C ATOM 514 C ASP A 32 -4.278 -11.243 -6.817 1.00 75.41 C ATOM 515 O ASP A 32 -5.425 -11.687 -6.891 1.00 20.02 O ATOM 516 CB ASP A 32 -2.443 -12.657 -5.735 1.00 72.22 C ATOM 517 CG ASP A 32 -3.457 -13.364 -4.814 1.00 44.21 C ATOM 518 OD1 ASP A 32 -3.783 -14.542 -5.066 1.00 23.35 O ATOM 519 OD2 ASP A 32 -3.932 -12.739 -3.838 1.00 62.20 O ATOM 0 H ASP A 32 -1.135 -11.416 -7.389 1.00 24.00 H new ATOM 0 HA ASP A 32 -3.436 -13.037 -7.633 1.00 14.11 H new ATOM 0 HB2 ASP A 32 -1.618 -13.337 -5.946 1.00 72.22 H new ATOM 0 HB3 ASP A 32 -2.023 -11.799 -5.210 1.00 72.22 H new ATOM 524 N TRP A 33 -4.019 -9.945 -6.551 1.00 74.20 N ATOM 525 CA TRP A 33 -5.064 -9.003 -6.051 1.00 51.31 C ATOM 526 C TRP A 33 -4.954 -7.571 -6.653 1.00 3.21 C ATOM 527 O TRP A 33 -5.543 -6.628 -6.114 1.00 71.13 O ATOM 528 CB TRP A 33 -4.992 -8.953 -4.493 1.00 10.40 C ATOM 529 CG TRP A 33 -3.719 -8.334 -3.928 1.00 43.20 C ATOM 530 CD1 TRP A 33 -2.430 -8.700 -4.197 1.00 51.53 C ATOM 531 CD2 TRP A 33 -3.631 -7.259 -2.982 1.00 62.24 C ATOM 532 NE1 TRP A 33 -1.553 -7.916 -3.497 1.00 24.14 N ATOM 533 CE2 TRP A 33 -2.264 -7.023 -2.740 1.00 53.30 C ATOM 534 CE3 TRP A 33 -4.577 -6.470 -2.325 1.00 52.12 C ATOM 535 CZ2 TRP A 33 -1.821 -6.035 -1.863 1.00 12.44 C ATOM 536 CZ3 TRP A 33 -4.139 -5.490 -1.455 1.00 4.05 C ATOM 537 CH2 TRP A 33 -2.770 -5.278 -1.232 1.00 75.44 C ATOM 0 H TRP A 33 -3.100 -9.519 -6.671 1.00 74.20 H new ATOM 0 HA TRP A 33 -6.032 -9.383 -6.379 1.00 51.31 H new ATOM 0 HB2 TRP A 33 -5.848 -8.389 -4.122 1.00 10.40 H new ATOM 0 HB3 TRP A 33 -5.087 -9.968 -4.107 1.00 10.40 H new ATOM 0 HD1 TRP A 33 -2.143 -9.496 -4.868 1.00 51.53 H new ATOM 0 HE1 TRP A 33 -0.536 -7.985 -3.533 1.00 24.14 H new ATOM 0 HE3 TRP A 33 -5.633 -6.623 -2.494 1.00 52.12 H new ATOM 0 HZ2 TRP A 33 -0.768 -5.873 -1.688 1.00 12.44 H new ATOM 0 HZ3 TRP A 33 -4.862 -4.877 -0.938 1.00 4.05 H new ATOM 0 HH2 TRP A 33 -2.459 -4.502 -0.549 1.00 75.44 H new ATOM 548 N PHE A 34 -4.236 -7.407 -7.779 1.00 5.31 N ATOM 549 CA PHE A 34 -4.074 -6.075 -8.428 1.00 12.41 C ATOM 550 C PHE A 34 -4.310 -6.165 -9.954 1.00 52.34 C ATOM 551 O PHE A 34 -5.327 -5.680 -10.466 1.00 4.33 O ATOM 552 CB PHE A 34 -2.671 -5.500 -8.097 1.00 22.54 C ATOM 553 CG PHE A 34 -2.408 -4.080 -8.620 1.00 43.45 C ATOM 554 CD1 PHE A 34 -2.866 -2.962 -7.921 1.00 40.24 C ATOM 555 CD2 PHE A 34 -1.700 -3.860 -9.805 1.00 25.14 C ATOM 556 CE1 PHE A 34 -2.627 -1.681 -8.388 1.00 51.11 C ATOM 557 CE2 PHE A 34 -1.465 -2.579 -10.268 1.00 72.40 C ATOM 558 CZ PHE A 34 -1.928 -1.490 -9.561 1.00 21.30 C ATOM 0 H PHE A 34 -3.759 -8.168 -8.262 1.00 5.31 H new ATOM 0 HA PHE A 34 -4.827 -5.394 -8.032 1.00 12.41 H new ATOM 0 HB2 PHE A 34 -2.541 -5.502 -7.015 1.00 22.54 H new ATOM 0 HB3 PHE A 34 -1.915 -6.168 -8.510 1.00 22.54 H new ATOM 0 HD1 PHE A 34 -3.415 -3.099 -7.001 1.00 40.24 H new ATOM 0 HD2 PHE A 34 -1.331 -4.704 -10.368 1.00 25.14 H new ATOM 0 HE1 PHE A 34 -2.989 -0.829 -7.832 1.00 51.11 H new ATOM 0 HE2 PHE A 34 -0.917 -2.431 -11.187 1.00 72.40 H new ATOM 0 HZ PHE A 34 -1.744 -0.490 -9.925 1.00 21.30 H new ATOM 568 N ALA A 35 -3.355 -6.773 -10.677 1.00 42.40 N ATOM 569 CA ALA A 35 -3.443 -6.941 -12.146 1.00 22.40 C ATOM 570 C ALA A 35 -3.963 -8.341 -12.521 1.00 24.25 C ATOM 571 O ALA A 35 -4.109 -9.210 -11.656 1.00 73.14 O ATOM 572 CB ALA A 35 -2.071 -6.674 -12.788 1.00 73.52 C ATOM 0 H ALA A 35 -2.505 -7.161 -10.268 1.00 42.40 H new ATOM 0 HA ALA A 35 -4.159 -6.215 -12.532 1.00 22.40 H new ATOM 0 HB1 ALA A 35 -2.144 -6.800 -13.868 1.00 73.52 H new ATOM 0 HB2 ALA A 35 -1.755 -5.656 -12.562 1.00 73.52 H new ATOM 0 HB3 ALA A 35 -1.340 -7.377 -12.390 1.00 73.52 H new ATOM 578 N ASP A 36 -4.255 -8.536 -13.821 1.00 70.15 N ATOM 579 CA ASP A 36 -4.605 -9.865 -14.376 1.00 4.35 C ATOM 580 C ASP A 36 -3.371 -10.793 -14.269 1.00 25.03 C ATOM 581 O ASP A 36 -3.449 -11.935 -13.806 1.00 12.23 O ATOM 582 CB ASP A 36 -5.041 -9.722 -15.862 1.00 50.31 C ATOM 583 CG ASP A 36 -5.726 -10.982 -16.425 1.00 32.31 C ATOM 584 OD1 ASP A 36 -5.023 -11.923 -16.858 1.00 54.32 O ATOM 585 OD2 ASP A 36 -6.976 -11.031 -16.455 1.00 20.43 O ATOM 0 H ASP A 36 -4.256 -7.787 -14.513 1.00 70.15 H new ATOM 0 HA ASP A 36 -5.434 -10.293 -13.813 1.00 4.35 H new ATOM 0 HB2 ASP A 36 -5.723 -8.876 -15.953 1.00 50.31 H new ATOM 0 HB3 ASP A 36 -4.165 -9.492 -16.469 1.00 50.31 H new ATOM 590 N LYS A 37 -2.230 -10.243 -14.700 1.00 45.50 N ATOM 591 CA LYS A 37 -0.926 -10.913 -14.688 1.00 72.20 C ATOM 592 C LYS A 37 0.159 -9.830 -14.461 1.00 23.33 C ATOM 593 O LYS A 37 0.052 -8.734 -14.995 1.00 3.30 O ATOM 594 CB LYS A 37 -0.738 -11.672 -16.047 1.00 3.40 C ATOM 595 CG LYS A 37 0.215 -12.892 -16.023 1.00 73.24 C ATOM 596 CD LYS A 37 1.712 -12.524 -15.886 1.00 60.14 C ATOM 597 CE LYS A 37 2.626 -13.759 -15.814 1.00 73.14 C ATOM 598 NZ LYS A 37 2.318 -14.613 -14.635 1.00 62.14 N ATOM 0 H LYS A 37 -2.188 -9.296 -15.076 1.00 45.50 H new ATOM 0 HA LYS A 37 -0.850 -11.650 -13.889 1.00 72.20 H new ATOM 0 HB2 LYS A 37 -1.717 -12.008 -16.390 1.00 3.40 H new ATOM 0 HB3 LYS A 37 -0.368 -10.963 -16.787 1.00 3.40 H new ATOM 0 HG2 LYS A 37 -0.065 -13.542 -15.194 1.00 73.24 H new ATOM 0 HG3 LYS A 37 0.076 -13.466 -16.939 1.00 73.24 H new ATOM 0 HD2 LYS A 37 2.009 -11.907 -16.734 1.00 60.14 H new ATOM 0 HD3 LYS A 37 1.852 -11.921 -14.989 1.00 60.14 H new ATOM 0 HE2 LYS A 37 2.515 -14.346 -16.726 1.00 73.14 H new ATOM 0 HE3 LYS A 37 3.666 -13.438 -15.767 1.00 73.14 H new ATOM 0 HZ1 LYS A 37 3.205 -14.962 -14.218 1.00 62.14 H new ATOM 0 HZ2 LYS A 37 1.799 -14.054 -13.928 1.00 62.14 H new ATOM 0 HZ3 LYS A 37 1.735 -15.421 -14.934 1.00 62.14 H new ATOM 612 N VAL A 38 1.178 -10.121 -13.634 1.00 10.42 N ATOM 613 CA VAL A 38 2.321 -9.201 -13.402 1.00 22.23 C ATOM 614 C VAL A 38 3.647 -9.885 -13.804 1.00 61.41 C ATOM 615 O VAL A 38 4.054 -10.878 -13.201 1.00 52.11 O ATOM 616 CB VAL A 38 2.388 -8.695 -11.907 1.00 20.44 C ATOM 617 CG1 VAL A 38 3.689 -7.905 -11.628 1.00 75.12 C ATOM 618 CG2 VAL A 38 1.152 -7.830 -11.559 1.00 63.54 C ATOM 0 H VAL A 38 1.239 -10.993 -13.108 1.00 10.42 H new ATOM 0 HA VAL A 38 2.166 -8.323 -14.029 1.00 22.23 H new ATOM 0 HB VAL A 38 2.388 -9.578 -11.268 1.00 20.44 H new ATOM 0 HG11 VAL A 38 3.698 -7.574 -10.590 1.00 75.12 H new ATOM 0 HG12 VAL A 38 4.551 -8.547 -11.812 1.00 75.12 H new ATOM 0 HG13 VAL A 38 3.736 -7.037 -12.286 1.00 75.12 H new ATOM 0 HG21 VAL A 38 1.223 -7.494 -10.524 1.00 63.54 H new ATOM 0 HG22 VAL A 38 1.116 -6.964 -12.220 1.00 63.54 H new ATOM 0 HG23 VAL A 38 0.246 -8.422 -11.687 1.00 63.54 H new ATOM 628 N VAL A 39 4.291 -9.348 -14.851 1.00 50.34 N ATOM 629 CA VAL A 39 5.624 -9.787 -15.307 1.00 45.24 C ATOM 630 C VAL A 39 6.711 -8.851 -14.729 1.00 23.04 C ATOM 631 O VAL A 39 6.709 -7.654 -14.995 1.00 12.05 O ATOM 632 CB VAL A 39 5.703 -9.789 -16.880 1.00 53.50 C ATOM 633 CG1 VAL A 39 7.097 -10.249 -17.388 1.00 43.25 C ATOM 634 CG2 VAL A 39 4.573 -10.659 -17.485 1.00 33.21 C ATOM 0 H VAL A 39 3.900 -8.591 -15.411 1.00 50.34 H new ATOM 0 HA VAL A 39 5.793 -10.803 -14.951 1.00 45.24 H new ATOM 0 HB VAL A 39 5.562 -8.762 -17.217 1.00 53.50 H new ATOM 0 HG11 VAL A 39 7.109 -10.236 -18.478 1.00 43.25 H new ATOM 0 HG12 VAL A 39 7.864 -9.574 -17.008 1.00 43.25 H new ATOM 0 HG13 VAL A 39 7.297 -11.260 -17.035 1.00 43.25 H new ATOM 0 HG21 VAL A 39 4.647 -10.646 -18.572 1.00 33.21 H new ATOM 0 HG22 VAL A 39 4.671 -11.684 -17.127 1.00 33.21 H new ATOM 0 HG23 VAL A 39 3.605 -10.260 -17.182 1.00 33.21 H new ATOM 644 N SER A 40 7.627 -9.411 -13.927 1.00 54.13 N ATOM 645 CA SER A 40 8.757 -8.650 -13.346 1.00 54.31 C ATOM 646 C SER A 40 9.946 -8.580 -14.331 1.00 3.34 C ATOM 647 O SER A 40 10.109 -9.445 -15.192 1.00 22.40 O ATOM 648 CB SER A 40 9.204 -9.291 -12.018 1.00 22.44 C ATOM 649 OG SER A 40 10.289 -8.590 -11.426 1.00 71.14 O ATOM 0 H SER A 40 7.612 -10.395 -13.661 1.00 54.13 H new ATOM 0 HA SER A 40 8.416 -7.633 -13.153 1.00 54.31 H new ATOM 0 HB2 SER A 40 8.364 -9.311 -11.324 1.00 22.44 H new ATOM 0 HB3 SER A 40 9.495 -10.326 -12.195 1.00 22.44 H new ATOM 0 HG SER A 40 10.541 -9.027 -10.586 1.00 71.14 H new ATOM 655 N ASP A 41 10.785 -7.553 -14.162 1.00 72.11 N ATOM 656 CA ASP A 41 11.956 -7.281 -15.025 1.00 10.32 C ATOM 657 C ASP A 41 13.238 -7.126 -14.142 1.00 3.44 C ATOM 658 O ASP A 41 14.280 -6.630 -14.596 1.00 22.10 O ATOM 659 CB ASP A 41 11.633 -6.004 -15.856 1.00 60.22 C ATOM 660 CG ASP A 41 12.693 -5.637 -16.903 1.00 22.43 C ATOM 661 OD1 ASP A 41 12.896 -6.419 -17.852 1.00 61.01 O ATOM 662 OD2 ASP A 41 13.330 -4.565 -16.778 1.00 3.21 O ATOM 0 H ASP A 41 10.674 -6.872 -13.411 1.00 72.11 H new ATOM 0 HA ASP A 41 12.156 -8.103 -15.712 1.00 10.32 H new ATOM 0 HB2 ASP A 41 10.677 -6.147 -16.361 1.00 60.22 H new ATOM 0 HB3 ASP A 41 11.510 -5.164 -15.173 1.00 60.22 H new ATOM 667 N ASP A 42 13.125 -7.589 -12.866 1.00 4.31 N ATOM 668 CA ASP A 42 14.209 -7.548 -11.835 1.00 34.44 C ATOM 669 C ASP A 42 14.631 -6.097 -11.437 1.00 35.45 C ATOM 670 O ASP A 42 15.656 -5.893 -10.771 1.00 30.44 O ATOM 671 CB ASP A 42 15.433 -8.396 -12.285 1.00 4.44 C ATOM 672 CG ASP A 42 15.071 -9.874 -12.521 1.00 12.52 C ATOM 673 OD1 ASP A 42 15.132 -10.669 -11.560 1.00 50.23 O ATOM 674 OD2 ASP A 42 14.693 -10.238 -13.661 1.00 72.01 O ATOM 0 H ASP A 42 12.264 -8.009 -12.516 1.00 4.31 H new ATOM 0 HA ASP A 42 13.793 -7.993 -10.931 1.00 34.44 H new ATOM 0 HB2 ASP A 42 15.845 -7.975 -13.202 1.00 4.44 H new ATOM 0 HB3 ASP A 42 16.213 -8.333 -11.527 1.00 4.44 H new ATOM 679 N LYS A 43 13.789 -5.114 -11.814 1.00 73.24 N ATOM 680 CA LYS A 43 14.008 -3.666 -11.557 1.00 32.25 C ATOM 681 C LYS A 43 12.735 -2.862 -11.920 1.00 23.31 C ATOM 682 O LYS A 43 12.433 -1.838 -11.295 1.00 53.42 O ATOM 683 CB LYS A 43 15.236 -3.110 -12.344 1.00 4.13 C ATOM 684 CG LYS A 43 15.123 -3.148 -13.891 1.00 74.21 C ATOM 685 CD LYS A 43 16.350 -2.514 -14.583 1.00 55.13 C ATOM 686 CE LYS A 43 16.235 -2.510 -16.120 1.00 5.40 C ATOM 687 NZ LYS A 43 16.133 -3.878 -16.698 1.00 40.31 N ATOM 0 H LYS A 43 12.921 -5.302 -12.315 1.00 73.24 H new ATOM 0 HA LYS A 43 14.221 -3.551 -10.494 1.00 32.25 H new ATOM 0 HB2 LYS A 43 15.403 -2.078 -12.036 1.00 4.13 H new ATOM 0 HB3 LYS A 43 16.119 -3.677 -12.049 1.00 4.13 H new ATOM 0 HG2 LYS A 43 15.016 -4.182 -14.220 1.00 74.21 H new ATOM 0 HG3 LYS A 43 14.221 -2.620 -14.200 1.00 74.21 H new ATOM 0 HD2 LYS A 43 16.471 -1.490 -14.230 1.00 55.13 H new ATOM 0 HD3 LYS A 43 17.247 -3.060 -14.292 1.00 55.13 H new ATOM 0 HE2 LYS A 43 15.358 -1.932 -16.412 1.00 5.40 H new ATOM 0 HE3 LYS A 43 17.104 -2.007 -16.543 1.00 5.40 H new ATOM 0 HZ1 LYS A 43 16.523 -3.877 -17.662 1.00 40.31 H new ATOM 0 HZ2 LYS A 43 16.670 -4.545 -16.108 1.00 40.31 H new ATOM 0 HZ3 LYS A 43 15.135 -4.169 -16.728 1.00 40.31 H new ATOM 701 N THR A 44 12.018 -3.335 -12.957 1.00 53.44 N ATOM 702 CA THR A 44 10.721 -2.782 -13.397 1.00 13.42 C ATOM 703 C THR A 44 9.615 -3.825 -13.166 1.00 24.35 C ATOM 704 O THR A 44 9.839 -5.020 -13.336 1.00 33.44 O ATOM 705 CB THR A 44 10.761 -2.415 -14.917 1.00 15.02 C ATOM 706 OG1 THR A 44 11.804 -1.462 -15.163 1.00 41.30 O ATOM 707 CG2 THR A 44 9.418 -1.848 -15.427 1.00 32.12 C ATOM 0 H THR A 44 12.328 -4.125 -13.523 1.00 53.44 H new ATOM 0 HA THR A 44 10.518 -1.880 -12.820 1.00 13.42 H new ATOM 0 HB THR A 44 10.956 -3.339 -15.462 1.00 15.02 H new ATOM 0 HG1 THR A 44 11.931 -1.358 -16.129 1.00 41.30 H new ATOM 0 HG21 THR A 44 9.503 -1.610 -16.487 1.00 32.12 H new ATOM 0 HG22 THR A 44 8.632 -2.589 -15.283 1.00 32.12 H new ATOM 0 HG23 THR A 44 9.170 -0.944 -14.871 1.00 32.12 H new ATOM 715 N VAL A 45 8.423 -3.365 -12.783 1.00 23.02 N ATOM 716 CA VAL A 45 7.244 -4.226 -12.598 1.00 13.20 C ATOM 717 C VAL A 45 6.182 -3.915 -13.686 1.00 55.15 C ATOM 718 O VAL A 45 5.551 -2.855 -13.666 1.00 74.41 O ATOM 719 CB VAL A 45 6.643 -4.037 -11.161 1.00 41.14 C ATOM 720 CG1 VAL A 45 5.396 -4.917 -10.964 1.00 62.41 C ATOM 721 CG2 VAL A 45 7.701 -4.333 -10.068 1.00 10.42 C ATOM 0 H VAL A 45 8.243 -2.380 -12.590 1.00 23.02 H new ATOM 0 HA VAL A 45 7.550 -5.267 -12.700 1.00 13.20 H new ATOM 0 HB VAL A 45 6.341 -2.994 -11.064 1.00 41.14 H new ATOM 0 HG11 VAL A 45 5.000 -4.767 -9.960 1.00 62.41 H new ATOM 0 HG12 VAL A 45 4.638 -4.644 -11.698 1.00 62.41 H new ATOM 0 HG13 VAL A 45 5.666 -5.965 -11.094 1.00 62.41 H new ATOM 0 HG21 VAL A 45 7.255 -4.194 -9.083 1.00 10.42 H new ATOM 0 HG22 VAL A 45 8.048 -5.361 -10.167 1.00 10.42 H new ATOM 0 HG23 VAL A 45 8.544 -3.652 -10.184 1.00 10.42 H new ATOM 731 N THR A 46 6.015 -4.844 -14.638 1.00 33.24 N ATOM 732 CA THR A 46 5.047 -4.710 -15.747 1.00 31.01 C ATOM 733 C THR A 46 3.688 -5.333 -15.359 1.00 51.50 C ATOM 734 O THR A 46 3.575 -6.551 -15.184 1.00 34.41 O ATOM 735 CB THR A 46 5.577 -5.396 -17.057 1.00 34.42 C ATOM 736 OG1 THR A 46 6.878 -4.880 -17.385 1.00 35.23 O ATOM 737 CG2 THR A 46 4.628 -5.182 -18.257 1.00 12.30 C ATOM 0 H THR A 46 6.547 -5.714 -14.665 1.00 33.24 H new ATOM 0 HA THR A 46 4.918 -3.645 -15.939 1.00 31.01 H new ATOM 0 HB THR A 46 5.631 -6.467 -16.861 1.00 34.42 H new ATOM 0 HG1 THR A 46 7.205 -5.312 -18.202 1.00 35.23 H new ATOM 0 HG21 THR A 46 5.039 -5.675 -19.138 1.00 12.30 H new ATOM 0 HG22 THR A 46 3.650 -5.605 -18.027 1.00 12.30 H new ATOM 0 HG23 THR A 46 4.525 -4.115 -18.454 1.00 12.30 H new ATOM 745 N PHE A 47 2.662 -4.485 -15.219 1.00 55.13 N ATOM 746 CA PHE A 47 1.292 -4.917 -14.888 1.00 61.34 C ATOM 747 C PHE A 47 0.519 -5.217 -16.180 1.00 34.24 C ATOM 748 O PHE A 47 0.002 -4.302 -16.825 1.00 0.01 O ATOM 749 CB PHE A 47 0.562 -3.814 -14.095 1.00 12.31 C ATOM 750 CG PHE A 47 1.369 -3.263 -12.942 1.00 54.13 C ATOM 751 CD1 PHE A 47 1.386 -3.910 -11.719 1.00 22.51 C ATOM 752 CD2 PHE A 47 2.102 -2.089 -13.085 1.00 74.44 C ATOM 753 CE1 PHE A 47 2.111 -3.397 -10.666 1.00 51.24 C ATOM 754 CE2 PHE A 47 2.832 -1.579 -12.035 1.00 41.25 C ATOM 755 CZ PHE A 47 2.835 -2.231 -10.818 1.00 65.32 C ATOM 0 H PHE A 47 2.755 -3.476 -15.332 1.00 55.13 H new ATOM 0 HA PHE A 47 1.345 -5.818 -14.276 1.00 61.34 H new ATOM 0 HB2 PHE A 47 0.308 -2.999 -14.772 1.00 12.31 H new ATOM 0 HB3 PHE A 47 -0.377 -4.214 -13.712 1.00 12.31 H new ATOM 0 HD1 PHE A 47 0.826 -4.825 -11.589 1.00 22.51 H new ATOM 0 HD2 PHE A 47 2.098 -1.571 -14.033 1.00 74.44 H new ATOM 0 HE1 PHE A 47 2.113 -3.910 -9.716 1.00 51.24 H new ATOM 0 HE2 PHE A 47 3.401 -0.670 -12.163 1.00 41.25 H new ATOM 0 HZ PHE A 47 3.401 -1.831 -9.989 1.00 65.32 H new ATOM 765 N CYS A 48 0.463 -6.491 -16.556 1.00 41.30 N ATOM 766 CA CYS A 48 -0.177 -6.932 -17.811 1.00 21.00 C ATOM 767 C CYS A 48 -1.706 -7.108 -17.641 1.00 0.34 C ATOM 768 O CYS A 48 -2.167 -8.016 -16.938 1.00 22.13 O ATOM 769 CB CYS A 48 0.479 -8.246 -18.294 1.00 41.42 C ATOM 770 SG CYS A 48 2.253 -8.102 -18.617 1.00 73.01 S ATOM 0 H CYS A 48 0.857 -7.254 -16.006 1.00 41.30 H new ATOM 0 HA CYS A 48 -0.026 -6.159 -18.564 1.00 21.00 H new ATOM 0 HB2 CYS A 48 0.318 -9.019 -17.543 1.00 41.42 H new ATOM 0 HB3 CYS A 48 -0.021 -8.577 -19.204 1.00 41.42 H new ATOM 0 HG CYS A 48 2.452 -7.236 -19.566 1.00 73.01 H new ATOM 776 N TRP A 49 -2.476 -6.206 -18.279 1.00 75.50 N ATOM 777 CA TRP A 49 -3.941 -6.322 -18.422 1.00 55.05 C ATOM 778 C TRP A 49 -4.286 -6.626 -19.898 1.00 62.44 C ATOM 779 O TRP A 49 -4.437 -5.706 -20.716 1.00 21.25 O ATOM 780 CB TRP A 49 -4.652 -5.027 -17.941 1.00 73.41 C ATOM 781 CG TRP A 49 -4.600 -4.785 -16.446 1.00 60.11 C ATOM 782 CD1 TRP A 49 -5.296 -5.464 -15.482 1.00 54.31 C ATOM 783 CD2 TRP A 49 -3.843 -3.777 -15.751 1.00 52.33 C ATOM 784 NE1 TRP A 49 -5.023 -4.939 -14.246 1.00 65.43 N ATOM 785 CE2 TRP A 49 -4.132 -3.909 -14.381 1.00 23.43 C ATOM 786 CE3 TRP A 49 -2.950 -2.782 -16.154 1.00 43.35 C ATOM 787 CZ2 TRP A 49 -3.568 -3.082 -13.414 1.00 71.21 C ATOM 788 CZ3 TRP A 49 -2.386 -1.959 -15.195 1.00 51.55 C ATOM 789 CH2 TRP A 49 -2.697 -2.115 -13.836 1.00 5.30 C ATOM 0 H TRP A 49 -2.094 -5.366 -18.715 1.00 75.50 H new ATOM 0 HA TRP A 49 -4.297 -7.140 -17.795 1.00 55.05 H new ATOM 0 HB2 TRP A 49 -4.202 -4.174 -18.448 1.00 73.41 H new ATOM 0 HB3 TRP A 49 -5.696 -5.067 -18.251 1.00 73.41 H new ATOM 0 HD1 TRP A 49 -5.963 -6.293 -15.669 1.00 54.31 H new ATOM 0 HE1 TRP A 49 -5.421 -5.264 -13.365 1.00 65.43 H new ATOM 0 HE3 TRP A 49 -2.703 -2.657 -17.198 1.00 43.35 H new ATOM 0 HZ2 TRP A 49 -3.809 -3.199 -12.368 1.00 71.21 H new ATOM 0 HZ3 TRP A 49 -1.696 -1.185 -15.497 1.00 51.55 H new ATOM 0 HH2 TRP A 49 -2.240 -1.459 -13.109 1.00 5.30 H new ATOM 800 N GLY A 50 -4.326 -7.934 -20.229 1.00 1.40 N ATOM 801 CA GLY A 50 -4.691 -8.415 -21.574 1.00 72.11 C ATOM 802 C GLY A 50 -3.803 -7.891 -22.713 1.00 45.42 C ATOM 803 O GLY A 50 -4.287 -7.740 -23.843 1.00 32.14 O ATOM 0 H GLY A 50 -4.106 -8.683 -19.572 1.00 1.40 H new ATOM 0 HA2 GLY A 50 -4.654 -9.504 -21.576 1.00 72.11 H new ATOM 0 HA3 GLY A 50 -5.723 -8.130 -21.778 1.00 72.11 H new ATOM 807 N LYS A 51 -2.503 -7.617 -22.395 1.00 45.51 N ATOM 808 CA LYS A 51 -1.481 -7.025 -23.319 1.00 62.25 C ATOM 809 C LYS A 51 -1.725 -5.514 -23.630 1.00 64.21 C ATOM 810 O LYS A 51 -0.783 -4.721 -23.621 1.00 61.50 O ATOM 811 CB LYS A 51 -1.336 -7.825 -24.654 1.00 31.43 C ATOM 812 CG LYS A 51 -0.913 -9.305 -24.496 1.00 15.04 C ATOM 813 CD LYS A 51 -0.833 -10.031 -25.860 1.00 4.25 C ATOM 814 CE LYS A 51 -0.456 -11.515 -25.733 1.00 11.40 C ATOM 815 NZ LYS A 51 0.888 -11.707 -25.137 1.00 62.13 N ATOM 0 H LYS A 51 -2.125 -7.806 -21.466 1.00 45.51 H new ATOM 0 HA LYS A 51 -0.543 -7.102 -22.769 1.00 62.25 H new ATOM 0 HB2 LYS A 51 -2.288 -7.791 -25.184 1.00 31.43 H new ATOM 0 HB3 LYS A 51 -0.603 -7.320 -25.283 1.00 31.43 H new ATOM 0 HG2 LYS A 51 0.057 -9.354 -24.001 1.00 15.04 H new ATOM 0 HG3 LYS A 51 -1.626 -9.820 -23.852 1.00 15.04 H new ATOM 0 HD2 LYS A 51 -1.795 -9.949 -26.365 1.00 4.25 H new ATOM 0 HD3 LYS A 51 -0.099 -9.529 -26.490 1.00 4.25 H new ATOM 0 HE2 LYS A 51 -1.199 -12.025 -25.119 1.00 11.40 H new ATOM 0 HE3 LYS A 51 -0.483 -11.980 -26.719 1.00 11.40 H new ATOM 0 HZ1 LYS A 51 1.125 -12.720 -25.134 1.00 62.13 H new ATOM 0 HZ2 LYS A 51 1.594 -11.188 -25.697 1.00 62.13 H new ATOM 0 HZ3 LYS A 51 0.889 -11.349 -24.161 1.00 62.13 H new ATOM 829 N THR A 52 -2.985 -5.131 -23.914 1.00 3.14 N ATOM 830 CA THR A 52 -3.350 -3.769 -24.380 1.00 42.04 C ATOM 831 C THR A 52 -3.144 -2.678 -23.305 1.00 34.11 C ATOM 832 O THR A 52 -2.485 -1.670 -23.560 1.00 34.23 O ATOM 833 CB THR A 52 -4.839 -3.736 -24.848 1.00 70.54 C ATOM 834 OG1 THR A 52 -5.693 -4.143 -23.762 1.00 35.32 O ATOM 835 CG2 THR A 52 -5.089 -4.655 -26.062 1.00 15.13 C ATOM 0 H THR A 52 -3.786 -5.757 -23.828 1.00 3.14 H new ATOM 0 HA THR A 52 -2.678 -3.547 -25.209 1.00 42.04 H new ATOM 0 HB THR A 52 -5.065 -2.714 -25.152 1.00 70.54 H new ATOM 0 HG1 THR A 52 -6.628 -4.121 -24.055 1.00 35.32 H new ATOM 0 HG21 THR A 52 -6.138 -4.599 -26.351 1.00 15.13 H new ATOM 0 HG22 THR A 52 -4.465 -4.334 -26.896 1.00 15.13 H new ATOM 0 HG23 THR A 52 -4.840 -5.683 -25.798 1.00 15.13 H new ATOM 843 N GLU A 53 -3.709 -2.892 -22.102 1.00 61.34 N ATOM 844 CA GLU A 53 -3.747 -1.867 -21.021 1.00 55.22 C ATOM 845 C GLU A 53 -2.540 -1.965 -20.055 1.00 73.41 C ATOM 846 O GLU A 53 -2.578 -1.394 -18.959 1.00 70.34 O ATOM 847 CB GLU A 53 -5.068 -2.021 -20.216 1.00 34.31 C ATOM 848 CG GLU A 53 -6.351 -1.947 -21.058 1.00 14.30 C ATOM 849 CD GLU A 53 -7.620 -2.152 -20.216 1.00 35.44 C ATOM 850 OE1 GLU A 53 -7.810 -3.271 -19.694 1.00 63.45 O ATOM 851 OE2 GLU A 53 -8.432 -1.210 -20.075 1.00 4.43 O ATOM 0 H GLU A 53 -4.153 -3.774 -21.844 1.00 61.34 H new ATOM 0 HA GLU A 53 -3.695 -0.889 -21.500 1.00 55.22 H new ATOM 0 HB2 GLU A 53 -5.048 -2.977 -19.693 1.00 34.31 H new ATOM 0 HB3 GLU A 53 -5.105 -1.242 -19.454 1.00 34.31 H new ATOM 0 HG2 GLU A 53 -6.401 -0.978 -21.554 1.00 14.30 H new ATOM 0 HG3 GLU A 53 -6.312 -2.704 -21.841 1.00 14.30 H new ATOM 858 N GLN A 54 -1.443 -2.613 -20.486 1.00 62.03 N ATOM 859 CA GLN A 54 -0.318 -2.941 -19.582 1.00 14.15 C ATOM 860 C GLN A 54 0.566 -1.706 -19.279 1.00 2.30 C ATOM 861 O GLN A 54 0.890 -0.917 -20.178 1.00 75.22 O ATOM 862 CB GLN A 54 0.551 -4.093 -20.167 1.00 2.34 C ATOM 863 CG GLN A 54 1.339 -3.755 -21.451 1.00 73.45 C ATOM 864 CD GLN A 54 2.204 -4.912 -21.961 1.00 11.43 C ATOM 865 OE1 GLN A 54 2.691 -5.738 -21.190 1.00 13.34 O ATOM 866 NE2 GLN A 54 2.405 -4.976 -23.263 1.00 13.12 N ATOM 0 H GLN A 54 -1.309 -2.920 -21.449 1.00 62.03 H new ATOM 0 HA GLN A 54 -0.757 -3.273 -18.641 1.00 14.15 H new ATOM 0 HB2 GLN A 54 1.259 -4.413 -19.402 1.00 2.34 H new ATOM 0 HB3 GLN A 54 -0.099 -4.943 -20.375 1.00 2.34 H new ATOM 0 HG2 GLN A 54 0.637 -3.465 -22.233 1.00 73.45 H new ATOM 0 HG3 GLN A 54 1.977 -2.892 -21.259 1.00 73.45 H new ATOM 0 HE21 GLN A 54 1.989 -4.277 -23.878 1.00 13.12 H new ATOM 0 HE22 GLN A 54 2.977 -5.724 -23.655 1.00 13.12 H new ATOM 875 N ARG A 55 0.927 -1.541 -17.995 1.00 12.03 N ATOM 876 CA ARG A 55 1.797 -0.447 -17.522 1.00 60.44 C ATOM 877 C ARG A 55 3.122 -1.013 -17.011 1.00 73.42 C ATOM 878 O ARG A 55 3.273 -2.226 -16.856 1.00 11.34 O ATOM 879 CB ARG A 55 1.100 0.356 -16.390 1.00 4.34 C ATOM 880 CG ARG A 55 -0.173 1.130 -16.805 1.00 50.31 C ATOM 881 CD ARG A 55 0.090 2.292 -17.794 1.00 52.23 C ATOM 882 NE ARG A 55 0.380 1.841 -19.170 1.00 72.41 N ATOM 883 CZ ARG A 55 0.816 2.599 -20.154 1.00 51.32 C ATOM 884 NH1 ARG A 55 1.025 3.864 -19.997 1.00 33.12 N ATOM 885 NH2 ARG A 55 1.053 2.065 -21.299 1.00 75.10 N ATOM 0 H ARG A 55 0.622 -2.167 -17.250 1.00 12.03 H new ATOM 0 HA ARG A 55 1.991 0.223 -18.359 1.00 60.44 H new ATOM 0 HB2 ARG A 55 0.838 -0.334 -15.588 1.00 4.34 H new ATOM 0 HB3 ARG A 55 1.817 1.066 -15.978 1.00 4.34 H new ATOM 0 HG2 ARG A 55 -0.878 0.433 -17.259 1.00 50.31 H new ATOM 0 HG3 ARG A 55 -0.651 1.529 -15.910 1.00 50.31 H new ATOM 0 HD2 ARG A 55 -0.780 2.948 -17.811 1.00 52.23 H new ATOM 0 HD3 ARG A 55 0.929 2.885 -17.430 1.00 52.23 H new ATOM 0 HE ARG A 55 0.229 0.854 -19.376 1.00 72.41 H new ATOM 0 HH11 ARG A 55 0.852 4.301 -19.092 1.00 33.12 H new ATOM 0 HH12 ARG A 55 1.363 4.426 -20.778 1.00 33.12 H new ATOM 0 HH21 ARG A 55 0.903 1.066 -21.436 1.00 75.10 H new ATOM 0 HH22 ARG A 55 1.391 2.641 -22.070 1.00 75.10 H new ATOM 899 N GLN A 56 4.074 -0.119 -16.745 1.00 50.43 N ATOM 900 CA GLN A 56 5.399 -0.481 -16.186 1.00 61.12 C ATOM 901 C GLN A 56 5.794 0.538 -15.108 1.00 32.21 C ATOM 902 O GLN A 56 5.718 1.740 -15.346 1.00 75.14 O ATOM 903 CB GLN A 56 6.499 -0.535 -17.292 1.00 13.45 C ATOM 904 CG GLN A 56 6.279 -1.604 -18.383 1.00 51.23 C ATOM 905 CD GLN A 56 7.506 -1.829 -19.276 1.00 11.14 C ATOM 906 OE1 GLN A 56 7.673 -1.181 -20.301 1.00 53.40 O ATOM 907 NE2 GLN A 56 8.360 -2.761 -18.894 1.00 23.24 N ATOM 0 H GLN A 56 3.959 0.881 -16.907 1.00 50.43 H new ATOM 0 HA GLN A 56 5.321 -1.477 -15.749 1.00 61.12 H new ATOM 0 HB2 GLN A 56 6.560 0.443 -17.770 1.00 13.45 H new ATOM 0 HB3 GLN A 56 7.462 -0.717 -16.816 1.00 13.45 H new ATOM 0 HG2 GLN A 56 6.008 -2.547 -17.907 1.00 51.23 H new ATOM 0 HG3 GLN A 56 5.435 -1.307 -19.006 1.00 51.23 H new ATOM 0 HE21 GLN A 56 8.193 -3.284 -18.034 1.00 23.24 H new ATOM 0 HE22 GLN A 56 9.186 -2.958 -19.458 1.00 23.24 H new ATOM 916 N ALA A 57 6.218 0.052 -13.927 1.00 61.01 N ATOM 917 CA ALA A 57 6.658 0.922 -12.814 1.00 4.20 C ATOM 918 C ALA A 57 7.955 0.405 -12.169 1.00 22.23 C ATOM 919 O ALA A 57 7.992 -0.701 -11.621 1.00 53.33 O ATOM 920 CB ALA A 57 5.546 1.050 -11.754 1.00 62.20 C ATOM 0 H ALA A 57 6.266 -0.945 -13.716 1.00 61.01 H new ATOM 0 HA ALA A 57 6.864 1.908 -13.230 1.00 4.20 H new ATOM 0 HB1 ALA A 57 5.888 1.693 -10.944 1.00 62.20 H new ATOM 0 HB2 ALA A 57 4.656 1.484 -12.211 1.00 62.20 H new ATOM 0 HB3 ALA A 57 5.306 0.063 -11.357 1.00 62.20 H new ATOM 926 N GLY A 58 9.015 1.232 -12.230 1.00 10.11 N ATOM 927 CA GLY A 58 10.285 0.934 -11.563 1.00 21.15 C ATOM 928 C GLY A 58 10.241 1.258 -10.069 1.00 0.31 C ATOM 929 O GLY A 58 9.540 2.191 -9.652 1.00 73.13 O ATOM 0 H GLY A 58 9.011 2.116 -12.739 1.00 10.11 H new ATOM 0 HA2 GLY A 58 10.526 -0.120 -11.698 1.00 21.15 H new ATOM 0 HA3 GLY A 58 11.084 1.506 -12.034 1.00 21.15 H new ATOM 933 N ILE A 59 10.993 0.491 -9.262 1.00 54.31 N ATOM 934 CA ILE A 59 11.052 0.675 -7.792 1.00 53.40 C ATOM 935 C ILE A 59 11.935 1.901 -7.453 1.00 53.23 C ATOM 936 O ILE A 59 13.062 2.009 -7.943 1.00 63.04 O ATOM 937 CB ILE A 59 11.614 -0.606 -7.034 1.00 32.22 C ATOM 938 CG1 ILE A 59 10.692 -1.863 -7.227 1.00 22.22 C ATOM 939 CG2 ILE A 59 11.819 -0.324 -5.515 1.00 2.44 C ATOM 940 CD1 ILE A 59 10.715 -2.514 -8.599 1.00 43.15 C ATOM 0 H ILE A 59 11.577 -0.273 -9.603 1.00 54.31 H new ATOM 0 HA ILE A 59 10.030 0.834 -7.449 1.00 53.40 H new ATOM 0 HB ILE A 59 12.582 -0.828 -7.483 1.00 32.22 H new ATOM 0 HG12 ILE A 59 10.977 -2.612 -6.489 1.00 22.22 H new ATOM 0 HG13 ILE A 59 9.666 -1.571 -7.005 1.00 22.22 H new ATOM 0 HG21 ILE A 59 12.204 -1.220 -5.027 1.00 2.44 H new ATOM 0 HG22 ILE A 59 12.531 0.492 -5.389 1.00 2.44 H new ATOM 0 HG23 ILE A 59 10.866 -0.047 -5.065 1.00 2.44 H new ATOM 0 HD11 ILE A 59 10.039 -3.369 -8.607 1.00 43.15 H new ATOM 0 HD12 ILE A 59 10.395 -1.792 -9.350 1.00 43.15 H new ATOM 0 HD13 ILE A 59 11.727 -2.849 -8.826 1.00 43.15 H new ATOM 952 N VAL A 60 11.420 2.811 -6.608 1.00 45.32 N ATOM 953 CA VAL A 60 12.181 3.991 -6.140 1.00 41.53 C ATOM 954 C VAL A 60 13.041 3.606 -4.912 1.00 62.33 C ATOM 955 O VAL A 60 14.249 3.867 -4.872 1.00 25.24 O ATOM 956 CB VAL A 60 11.217 5.183 -5.775 1.00 32.11 C ATOM 957 CG1 VAL A 60 12.004 6.447 -5.324 1.00 43.33 C ATOM 958 CG2 VAL A 60 10.274 5.506 -6.961 1.00 22.15 C ATOM 0 H VAL A 60 10.474 2.754 -6.231 1.00 45.32 H new ATOM 0 HA VAL A 60 12.832 4.322 -6.949 1.00 41.53 H new ATOM 0 HB VAL A 60 10.608 4.866 -4.928 1.00 32.11 H new ATOM 0 HG11 VAL A 60 11.302 7.245 -5.082 1.00 43.33 H new ATOM 0 HG12 VAL A 60 12.601 6.209 -4.444 1.00 43.33 H new ATOM 0 HG13 VAL A 60 12.661 6.774 -6.130 1.00 43.33 H new ATOM 0 HG21 VAL A 60 9.617 6.332 -6.689 1.00 22.15 H new ATOM 0 HG22 VAL A 60 10.867 5.786 -7.832 1.00 22.15 H new ATOM 0 HG23 VAL A 60 9.674 4.628 -7.198 1.00 22.15 H new ATOM 968 N ALA A 61 12.392 2.956 -3.928 1.00 2.12 N ATOM 969 CA ALA A 61 13.039 2.523 -2.672 1.00 20.24 C ATOM 970 C ALA A 61 12.200 1.427 -1.978 1.00 34.02 C ATOM 971 O ALA A 61 10.962 1.463 -2.017 1.00 31.53 O ATOM 972 CB ALA A 61 13.253 3.722 -1.737 1.00 11.00 C ATOM 0 H ALA A 61 11.402 2.715 -3.980 1.00 2.12 H new ATOM 0 HA ALA A 61 14.014 2.101 -2.913 1.00 20.24 H new ATOM 0 HB1 ALA A 61 13.730 3.385 -0.817 1.00 11.00 H new ATOM 0 HB2 ALA A 61 13.890 4.457 -2.228 1.00 11.00 H new ATOM 0 HB3 ALA A 61 12.290 4.176 -1.501 1.00 11.00 H new ATOM 978 N ILE A 62 12.891 0.471 -1.334 1.00 61.03 N ATOM 979 CA ILE A 62 12.256 -0.696 -0.671 1.00 42.13 C ATOM 980 C ILE A 62 13.213 -1.334 0.374 1.00 2.53 C ATOM 981 O ILE A 62 14.437 -1.257 0.232 1.00 13.24 O ATOM 982 CB ILE A 62 11.819 -1.793 -1.732 1.00 34.13 C ATOM 983 CG1 ILE A 62 11.064 -2.984 -1.045 1.00 23.23 C ATOM 984 CG2 ILE A 62 13.031 -2.296 -2.564 1.00 3.35 C ATOM 985 CD1 ILE A 62 10.608 -4.089 -1.978 1.00 11.40 C ATOM 0 H ILE A 62 13.908 0.480 -1.255 1.00 61.03 H new ATOM 0 HA ILE A 62 11.366 -0.330 -0.159 1.00 42.13 H new ATOM 0 HB ILE A 62 11.123 -1.318 -2.424 1.00 34.13 H new ATOM 0 HG12 ILE A 62 11.717 -3.417 -0.288 1.00 23.23 H new ATOM 0 HG13 ILE A 62 10.192 -2.588 -0.525 1.00 23.23 H new ATOM 0 HG21 ILE A 62 12.695 -3.046 -3.280 1.00 3.35 H new ATOM 0 HG22 ILE A 62 13.478 -1.458 -3.099 1.00 3.35 H new ATOM 0 HG23 ILE A 62 13.772 -2.737 -1.897 1.00 3.35 H new ATOM 0 HD11 ILE A 62 10.098 -4.862 -1.404 1.00 11.40 H new ATOM 0 HD12 ILE A 62 9.925 -3.679 -2.721 1.00 11.40 H new ATOM 0 HD13 ILE A 62 11.473 -4.521 -2.480 1.00 11.40 H new ATOM 997 N ARG A 63 12.642 -1.964 1.419 1.00 42.33 N ATOM 998 CA ARG A 63 13.407 -2.771 2.392 1.00 43.11 C ATOM 999 C ARG A 63 12.478 -3.804 3.066 1.00 40.21 C ATOM 1000 O ARG A 63 11.721 -3.451 3.968 1.00 20.05 O ATOM 1001 CB ARG A 63 14.083 -1.861 3.455 1.00 11.33 C ATOM 1002 CG ARG A 63 14.997 -2.601 4.454 1.00 3.35 C ATOM 1003 CD ARG A 63 15.737 -1.643 5.408 1.00 13.12 C ATOM 1004 NE ARG A 63 16.603 -0.693 4.680 1.00 54.43 N ATOM 1005 CZ ARG A 63 17.919 -0.650 4.730 1.00 34.51 C ATOM 1006 NH1 ARG A 63 18.600 -1.501 5.434 1.00 21.53 N ATOM 1007 NH2 ARG A 63 18.544 0.253 4.055 1.00 64.54 N ATOM 0 H ARG A 63 11.641 -1.929 1.613 1.00 42.33 H new ATOM 0 HA ARG A 63 14.195 -3.304 1.860 1.00 43.11 H new ATOM 0 HB2 ARG A 63 14.671 -1.101 2.941 1.00 11.33 H new ATOM 0 HB3 ARG A 63 13.306 -1.339 4.013 1.00 11.33 H new ATOM 0 HG2 ARG A 63 14.398 -3.299 5.039 1.00 3.35 H new ATOM 0 HG3 ARG A 63 15.727 -3.193 3.902 1.00 3.35 H new ATOM 0 HD2 ARG A 63 15.009 -1.089 6.001 1.00 13.12 H new ATOM 0 HD3 ARG A 63 16.341 -2.222 6.106 1.00 13.12 H new ATOM 0 HE ARG A 63 16.140 -0.007 4.084 1.00 54.43 H new ATOM 0 HH11 ARG A 63 18.117 -2.225 5.966 1.00 21.53 H new ATOM 0 HH12 ARG A 63 19.618 -1.446 5.456 1.00 21.53 H new ATOM 0 HH21 ARG A 63 18.020 0.923 3.492 1.00 64.54 H new ATOM 0 HH22 ARG A 63 19.563 0.298 4.084 1.00 64.54 H new ATOM 1021 N ALA A 64 12.562 -5.075 2.601 1.00 13.22 N ATOM 1022 CA ALA A 64 11.797 -6.240 3.127 1.00 14.41 C ATOM 1023 C ALA A 64 10.253 -5.998 3.204 1.00 32.53 C ATOM 1024 O ALA A 64 9.497 -6.404 2.314 1.00 61.13 O ATOM 1025 CB ALA A 64 12.376 -6.688 4.486 1.00 23.11 C ATOM 0 H ALA A 64 13.179 -5.328 1.829 1.00 13.22 H new ATOM 0 HA ALA A 64 11.920 -7.048 2.406 1.00 14.41 H new ATOM 0 HB1 ALA A 64 11.808 -7.540 4.860 1.00 23.11 H new ATOM 0 HB2 ALA A 64 13.420 -6.975 4.360 1.00 23.11 H new ATOM 0 HB3 ALA A 64 12.309 -5.866 5.199 1.00 23.11 H new ATOM 1031 N TYR A 65 9.814 -5.323 4.282 1.00 62.11 N ATOM 1032 CA TYR A 65 8.391 -4.965 4.537 1.00 43.00 C ATOM 1033 C TYR A 65 8.294 -3.596 5.273 1.00 24.11 C ATOM 1034 O TYR A 65 7.201 -3.046 5.457 1.00 61.23 O ATOM 1035 CB TYR A 65 7.717 -6.079 5.384 1.00 52.42 C ATOM 1036 CG TYR A 65 8.253 -6.209 6.830 1.00 51.31 C ATOM 1037 CD1 TYR A 65 9.505 -6.770 7.099 1.00 4.32 C ATOM 1038 CD2 TYR A 65 7.507 -5.755 7.924 1.00 63.20 C ATOM 1039 CE1 TYR A 65 9.983 -6.871 8.393 1.00 35.32 C ATOM 1040 CE2 TYR A 65 7.980 -5.853 9.215 1.00 12.20 C ATOM 1041 CZ TYR A 65 9.217 -6.413 9.448 1.00 44.12 C ATOM 1042 OH TYR A 65 9.691 -6.516 10.742 1.00 13.21 O ATOM 0 H TYR A 65 10.443 -5.002 5.018 1.00 62.11 H new ATOM 0 HA TYR A 65 7.873 -4.876 3.582 1.00 43.00 H new ATOM 0 HB2 TYR A 65 6.645 -5.886 5.425 1.00 52.42 H new ATOM 0 HB3 TYR A 65 7.850 -7.034 4.875 1.00 52.42 H new ATOM 0 HD1 TYR A 65 10.110 -7.131 6.281 1.00 4.32 H new ATOM 0 HD2 TYR A 65 6.535 -5.316 7.752 1.00 63.20 H new ATOM 0 HE1 TYR A 65 10.953 -7.307 8.579 1.00 35.32 H new ATOM 0 HE2 TYR A 65 7.384 -5.492 10.040 1.00 12.20 H new ATOM 0 HH TYR A 65 9.029 -6.146 11.363 1.00 13.21 H new ATOM 1052 N SER A 66 9.470 -3.069 5.677 1.00 15.41 N ATOM 1053 CA SER A 66 9.613 -1.838 6.490 1.00 3.01 C ATOM 1054 C SER A 66 9.196 -0.563 5.720 1.00 73.54 C ATOM 1055 O SER A 66 8.950 0.465 6.343 1.00 41.32 O ATOM 1056 CB SER A 66 11.084 -1.708 6.957 1.00 73.40 C ATOM 1057 OG SER A 66 11.534 -2.919 7.556 1.00 24.24 O ATOM 0 H SER A 66 10.367 -3.495 5.443 1.00 15.41 H new ATOM 0 HA SER A 66 8.943 -1.927 7.345 1.00 3.01 H new ATOM 0 HB2 SER A 66 11.719 -1.460 6.107 1.00 73.40 H new ATOM 0 HB3 SER A 66 11.172 -0.889 7.671 1.00 73.40 H new ATOM 0 HG SER A 66 12.466 -2.816 7.842 1.00 24.24 H new ATOM 1063 N PHE A 67 9.153 -0.661 4.370 1.00 1.34 N ATOM 1064 CA PHE A 67 8.741 0.430 3.441 1.00 13.25 C ATOM 1065 C PHE A 67 8.909 -0.036 1.976 1.00 50.51 C ATOM 1066 O PHE A 67 9.853 -0.774 1.658 1.00 32.31 O ATOM 1067 CB PHE A 67 9.504 1.780 3.675 1.00 1.15 C ATOM 1068 CG PHE A 67 11.037 1.725 3.593 1.00 63.45 C ATOM 1069 CD1 PHE A 67 11.705 1.851 2.375 1.00 51.31 C ATOM 1070 CD2 PHE A 67 11.812 1.575 4.746 1.00 62.24 C ATOM 1071 CE1 PHE A 67 13.080 1.831 2.311 1.00 4.22 C ATOM 1072 CE2 PHE A 67 13.193 1.551 4.681 1.00 42.32 C ATOM 1073 CZ PHE A 67 13.824 1.681 3.462 1.00 12.52 C ATOM 0 H PHE A 67 9.409 -1.519 3.881 1.00 1.34 H new ATOM 0 HA PHE A 67 7.692 0.637 3.652 1.00 13.25 H new ATOM 0 HB2 PHE A 67 9.149 2.504 2.941 1.00 1.15 H new ATOM 0 HB3 PHE A 67 9.229 2.161 4.658 1.00 1.15 H new ATOM 0 HD1 PHE A 67 11.133 1.966 1.466 1.00 51.31 H new ATOM 0 HD2 PHE A 67 11.324 1.476 5.704 1.00 62.24 H new ATOM 0 HE1 PHE A 67 13.577 1.933 1.357 1.00 4.22 H new ATOM 0 HE2 PHE A 67 13.776 1.431 5.582 1.00 42.32 H new ATOM 0 HZ PHE A 67 14.903 1.665 3.409 1.00 12.52 H new ATOM 1083 N ILE A 68 7.966 0.362 1.103 1.00 43.31 N ATOM 1084 CA ILE A 68 8.039 0.092 -0.349 1.00 20.55 C ATOM 1085 C ILE A 68 7.292 1.186 -1.160 1.00 55.54 C ATOM 1086 O ILE A 68 6.200 1.611 -0.776 1.00 74.41 O ATOM 1087 CB ILE A 68 7.463 -1.339 -0.692 1.00 21.55 C ATOM 1088 CG1 ILE A 68 7.587 -1.644 -2.223 1.00 74.22 C ATOM 1089 CG2 ILE A 68 6.005 -1.503 -0.181 1.00 23.54 C ATOM 1090 CD1 ILE A 68 7.110 -3.018 -2.638 1.00 74.12 C ATOM 0 H ILE A 68 7.132 0.879 1.381 1.00 43.31 H new ATOM 0 HA ILE A 68 9.091 0.114 -0.634 1.00 20.55 H new ATOM 0 HB ILE A 68 8.067 -2.078 -0.165 1.00 21.55 H new ATOM 0 HG12 ILE A 68 7.019 -0.896 -2.775 1.00 74.22 H new ATOM 0 HG13 ILE A 68 8.631 -1.533 -2.518 1.00 74.22 H new ATOM 0 HG21 ILE A 68 5.641 -2.499 -0.434 1.00 23.54 H new ATOM 0 HG22 ILE A 68 5.982 -1.372 0.901 1.00 23.54 H new ATOM 0 HG23 ILE A 68 5.368 -0.753 -0.651 1.00 23.54 H new ATOM 0 HD11 ILE A 68 7.235 -3.137 -3.714 1.00 74.12 H new ATOM 0 HD12 ILE A 68 7.694 -3.778 -2.119 1.00 74.12 H new ATOM 0 HD13 ILE A 68 6.057 -3.131 -2.380 1.00 74.12 H new ATOM 1102 N ARG A 69 7.902 1.645 -2.283 1.00 62.11 N ATOM 1103 CA ARG A 69 7.281 2.634 -3.202 1.00 43.23 C ATOM 1104 C ARG A 69 7.763 2.451 -4.661 1.00 14.35 C ATOM 1105 O ARG A 69 8.927 2.118 -4.920 1.00 2.21 O ATOM 1106 CB ARG A 69 7.503 4.118 -2.746 1.00 21.24 C ATOM 1107 CG ARG A 69 8.939 4.511 -2.292 1.00 54.22 C ATOM 1108 CD ARG A 69 9.228 4.183 -0.810 1.00 14.00 C ATOM 1109 NE ARG A 69 10.487 4.792 -0.352 1.00 24.04 N ATOM 1110 CZ ARG A 69 10.864 4.928 0.900 1.00 23.23 C ATOM 1111 NH1 ARG A 69 10.098 4.600 1.884 1.00 52.41 N ATOM 1112 NH2 ARG A 69 12.010 5.452 1.163 1.00 61.15 N ATOM 0 H ARG A 69 8.831 1.343 -2.575 1.00 62.11 H new ATOM 0 HA ARG A 69 6.210 2.434 -3.161 1.00 43.23 H new ATOM 0 HB2 ARG A 69 7.218 4.772 -3.570 1.00 21.24 H new ATOM 0 HB3 ARG A 69 6.819 4.325 -1.923 1.00 21.24 H new ATOM 0 HG2 ARG A 69 9.664 3.992 -2.919 1.00 54.22 H new ATOM 0 HG3 ARG A 69 9.083 5.579 -2.454 1.00 54.22 H new ATOM 0 HD2 ARG A 69 8.405 4.540 -0.191 1.00 14.00 H new ATOM 0 HD3 ARG A 69 9.278 3.102 -0.680 1.00 14.00 H new ATOM 0 HE ARG A 69 11.123 5.139 -1.069 1.00 24.04 H new ATOM 0 HH11 ARG A 69 9.168 4.222 1.702 1.00 52.41 H new ATOM 0 HH12 ARG A 69 10.422 4.719 2.844 1.00 52.41 H new ATOM 0 HH21 ARG A 69 12.617 5.758 0.403 1.00 61.15 H new ATOM 0 HH22 ARG A 69 12.311 5.561 2.132 1.00 61.15 H new ATOM 1126 N PHE A 70 6.829 2.695 -5.600 1.00 52.22 N ATOM 1127 CA PHE A 70 7.053 2.604 -7.059 1.00 75.01 C ATOM 1128 C PHE A 70 6.863 3.983 -7.730 1.00 10.14 C ATOM 1129 O PHE A 70 6.357 4.933 -7.122 1.00 43.44 O ATOM 1130 CB PHE A 70 6.050 1.597 -7.693 1.00 72.33 C ATOM 1131 CG PHE A 70 6.150 0.170 -7.161 1.00 23.51 C ATOM 1132 CD1 PHE A 70 5.410 -0.240 -6.050 1.00 34.43 C ATOM 1133 CD2 PHE A 70 6.987 -0.761 -7.774 1.00 11.54 C ATOM 1134 CE1 PHE A 70 5.507 -1.531 -5.573 1.00 22.12 C ATOM 1135 CE2 PHE A 70 7.078 -2.050 -7.292 1.00 11.02 C ATOM 1136 CZ PHE A 70 6.341 -2.435 -6.195 1.00 44.33 C ATOM 0 H PHE A 70 5.875 2.967 -5.362 1.00 52.22 H new ATOM 0 HA PHE A 70 8.075 2.263 -7.220 1.00 75.01 H new ATOM 0 HB2 PHE A 70 5.037 1.962 -7.525 1.00 72.33 H new ATOM 0 HB3 PHE A 70 6.208 1.579 -8.771 1.00 72.33 H new ATOM 0 HD1 PHE A 70 4.753 0.462 -5.558 1.00 34.43 H new ATOM 0 HD2 PHE A 70 7.570 -0.470 -8.635 1.00 11.54 H new ATOM 0 HE1 PHE A 70 4.929 -1.833 -4.712 1.00 22.12 H new ATOM 0 HE2 PHE A 70 7.731 -2.761 -7.777 1.00 11.02 H new ATOM 0 HZ PHE A 70 6.416 -3.446 -5.822 1.00 44.33 H new ATOM 1146 N HIS A 71 7.272 4.056 -9.000 1.00 72.34 N ATOM 1147 CA HIS A 71 7.009 5.202 -9.892 1.00 52.41 C ATOM 1148 C HIS A 71 7.044 4.687 -11.345 1.00 34.20 C ATOM 1149 O HIS A 71 7.935 3.905 -11.700 1.00 63.12 O ATOM 1150 CB HIS A 71 8.057 6.325 -9.669 1.00 60.43 C ATOM 1151 CG HIS A 71 7.741 7.637 -10.345 1.00 1.01 C ATOM 1152 ND1 HIS A 71 7.042 8.652 -9.724 1.00 5.04 N ATOM 1153 CD2 HIS A 71 8.045 8.103 -11.579 1.00 20.31 C ATOM 1154 CE1 HIS A 71 6.930 9.677 -10.542 1.00 12.01 C ATOM 1155 NE2 HIS A 71 7.530 9.373 -11.675 1.00 33.42 N ATOM 0 H HIS A 71 7.804 3.311 -9.450 1.00 72.34 H new ATOM 0 HA HIS A 71 6.032 5.634 -9.675 1.00 52.41 H new ATOM 0 HB2 HIS A 71 8.157 6.500 -8.598 1.00 60.43 H new ATOM 0 HB3 HIS A 71 9.025 5.974 -10.026 1.00 60.43 H new ATOM 0 HD2 HIS A 71 8.591 7.574 -12.346 1.00 20.31 H new ATOM 0 HE1 HIS A 71 6.431 10.609 -10.322 1.00 12.01 H new ATOM 0 HE2 HIS A 71 7.601 9.982 -12.491 1.00 33.42 H new ATOM 1164 N TRP A 72 6.089 5.131 -12.179 1.00 34.30 N ATOM 1165 CA TRP A 72 5.910 4.588 -13.550 1.00 34.53 C ATOM 1166 C TRP A 72 7.076 5.003 -14.487 1.00 34.20 C ATOM 1167 O TRP A 72 7.729 6.031 -14.277 1.00 45.22 O ATOM 1168 CB TRP A 72 4.545 5.032 -14.157 1.00 54.50 C ATOM 1169 CG TRP A 72 3.366 4.887 -13.223 1.00 70.14 C ATOM 1170 CD1 TRP A 72 2.843 5.856 -12.403 1.00 10.31 C ATOM 1171 CD2 TRP A 72 2.565 3.717 -13.012 1.00 62.40 C ATOM 1172 NE1 TRP A 72 1.785 5.353 -11.696 1.00 74.14 N ATOM 1173 CE2 TRP A 72 1.590 4.045 -12.050 1.00 24.10 C ATOM 1174 CE3 TRP A 72 2.577 2.429 -13.543 1.00 61.42 C ATOM 1175 CZ2 TRP A 72 0.642 3.126 -11.603 1.00 50.01 C ATOM 1176 CZ3 TRP A 72 1.636 1.520 -13.099 1.00 70.50 C ATOM 1177 CH2 TRP A 72 0.679 1.870 -12.140 1.00 64.45 C ATOM 0 H TRP A 72 5.425 5.865 -11.934 1.00 34.30 H new ATOM 0 HA TRP A 72 5.915 3.501 -13.467 1.00 34.53 H new ATOM 0 HB2 TRP A 72 4.621 6.075 -14.466 1.00 54.50 H new ATOM 0 HB3 TRP A 72 4.354 4.446 -15.056 1.00 54.50 H new ATOM 0 HD1 TRP A 72 3.213 6.868 -12.327 1.00 10.31 H new ATOM 0 HE1 TRP A 72 1.230 5.870 -11.014 1.00 74.14 H new ATOM 0 HE3 TRP A 72 3.307 2.147 -14.287 1.00 61.42 H new ATOM 0 HZ2 TRP A 72 -0.094 3.396 -10.860 1.00 50.01 H new ATOM 0 HZ3 TRP A 72 1.639 0.518 -13.501 1.00 70.50 H new ATOM 0 HH2 TRP A 72 -0.043 1.134 -11.818 1.00 64.45 H new ATOM 1188 N LEU A 73 7.353 4.163 -15.490 1.00 35.41 N ATOM 1189 CA LEU A 73 8.314 4.468 -16.575 1.00 12.10 C ATOM 1190 C LEU A 73 7.597 5.200 -17.734 1.00 11.44 C ATOM 1191 O LEU A 73 8.215 5.943 -18.503 1.00 44.52 O ATOM 1192 CB LEU A 73 8.971 3.160 -17.075 1.00 3.03 C ATOM 1193 CG LEU A 73 9.880 2.404 -16.053 1.00 1.01 C ATOM 1194 CD1 LEU A 73 10.590 1.225 -16.739 1.00 0.35 C ATOM 1195 CD2 LEU A 73 10.898 3.349 -15.364 1.00 63.21 C ATOM 0 H LEU A 73 6.918 3.245 -15.580 1.00 35.41 H new ATOM 0 HA LEU A 73 9.094 5.124 -16.189 1.00 12.10 H new ATOM 0 HB2 LEU A 73 8.180 2.482 -17.396 1.00 3.03 H new ATOM 0 HB3 LEU A 73 9.568 3.393 -17.956 1.00 3.03 H new ATOM 0 HG LEU A 73 9.236 2.012 -15.266 1.00 1.01 H new ATOM 0 HD11 LEU A 73 11.219 0.708 -16.015 1.00 0.35 H new ATOM 0 HD12 LEU A 73 9.847 0.532 -17.133 1.00 0.35 H new ATOM 0 HD13 LEU A 73 11.208 1.598 -17.556 1.00 0.35 H new ATOM 0 HD21 LEU A 73 11.507 2.779 -14.663 1.00 63.21 H new ATOM 0 HD22 LEU A 73 11.541 3.803 -16.118 1.00 63.21 H new ATOM 0 HD23 LEU A 73 10.362 4.131 -14.826 1.00 63.21 H new ATOM 1207 N ASP A 74 6.279 4.959 -17.836 1.00 34.31 N ATOM 1208 CA ASP A 74 5.367 5.692 -18.744 1.00 61.25 C ATOM 1209 C ASP A 74 4.888 7.036 -18.115 1.00 70.10 C ATOM 1210 O ASP A 74 4.083 7.764 -18.714 1.00 11.32 O ATOM 1211 CB ASP A 74 4.166 4.773 -19.101 1.00 0.31 C ATOM 1212 CG ASP A 74 3.411 4.234 -17.865 1.00 1.42 C ATOM 1213 OD1 ASP A 74 3.844 3.203 -17.291 1.00 14.23 O ATOM 1214 OD2 ASP A 74 2.388 4.838 -17.463 1.00 53.32 O ATOM 0 H ASP A 74 5.807 4.242 -17.285 1.00 34.31 H new ATOM 0 HA ASP A 74 5.905 5.952 -19.656 1.00 61.25 H new ATOM 0 HB2 ASP A 74 3.469 5.328 -19.729 1.00 0.31 H new ATOM 0 HB3 ASP A 74 4.527 3.931 -19.692 1.00 0.31 H new ATOM 1219 N ASP A 75 5.400 7.339 -16.903 1.00 75.51 N ATOM 1220 CA ASP A 75 5.091 8.574 -16.161 1.00 11.41 C ATOM 1221 C ASP A 75 5.722 9.801 -16.853 1.00 22.24 C ATOM 1222 O ASP A 75 6.949 9.935 -16.908 1.00 13.41 O ATOM 1223 CB ASP A 75 5.609 8.445 -14.708 1.00 51.23 C ATOM 1224 CG ASP A 75 5.033 9.487 -13.744 1.00 43.13 C ATOM 1225 OD1 ASP A 75 5.578 10.609 -13.673 1.00 2.13 O ATOM 1226 OD2 ASP A 75 4.054 9.172 -13.033 1.00 54.34 O ATOM 0 H ASP A 75 6.047 6.724 -16.409 1.00 75.51 H new ATOM 0 HA ASP A 75 4.011 8.717 -16.146 1.00 11.41 H new ATOM 0 HB2 ASP A 75 5.369 7.449 -14.335 1.00 51.23 H new ATOM 0 HB3 ASP A 75 6.696 8.531 -14.712 1.00 51.23 H new ATOM 1231 N GLU A 76 4.866 10.681 -17.375 1.00 54.50 N ATOM 1232 CA GLU A 76 5.285 11.910 -18.084 1.00 64.04 C ATOM 1233 C GLU A 76 4.652 13.174 -17.428 1.00 44.21 C ATOM 1234 O GLU A 76 4.964 14.310 -17.802 1.00 21.11 O ATOM 1235 CB GLU A 76 4.857 11.788 -19.578 1.00 14.42 C ATOM 1236 CG GLU A 76 5.432 12.871 -20.520 1.00 32.42 C ATOM 1237 CD GLU A 76 4.672 12.971 -21.854 1.00 55.53 C ATOM 1238 OE1 GLU A 76 3.654 13.698 -21.907 1.00 44.32 O ATOM 1239 OE2 GLU A 76 5.069 12.319 -22.845 1.00 41.34 O ATOM 0 H GLU A 76 3.854 10.568 -17.322 1.00 54.50 H new ATOM 0 HA GLU A 76 6.367 12.020 -18.019 1.00 64.04 H new ATOM 0 HB2 GLU A 76 5.162 10.809 -19.948 1.00 14.42 H new ATOM 0 HB3 GLU A 76 3.769 11.824 -19.631 1.00 14.42 H new ATOM 0 HG2 GLU A 76 5.400 13.837 -20.016 1.00 32.42 H new ATOM 0 HG3 GLU A 76 6.480 12.651 -20.721 1.00 32.42 H new ATOM 1246 N ASN A 77 3.783 12.973 -16.418 1.00 1.45 N ATOM 1247 CA ASN A 77 2.972 14.071 -15.836 1.00 44.50 C ATOM 1248 C ASN A 77 2.928 13.993 -14.289 1.00 20.12 C ATOM 1249 O ASN A 77 2.994 12.901 -13.712 1.00 34.40 O ATOM 1250 CB ASN A 77 1.536 14.012 -16.437 1.00 63.41 C ATOM 1251 CG ASN A 77 0.651 15.208 -16.064 1.00 44.40 C ATOM 1252 OD1 ASN A 77 1.131 16.325 -15.895 1.00 1.03 O ATOM 1253 ND2 ASN A 77 -0.639 14.983 -15.919 1.00 23.52 N ATOM 0 H ASN A 77 3.622 12.063 -15.986 1.00 1.45 H new ATOM 0 HA ASN A 77 3.437 15.024 -16.090 1.00 44.50 H new ATOM 0 HB2 ASN A 77 1.610 13.954 -17.523 1.00 63.41 H new ATOM 0 HB3 ASN A 77 1.051 13.096 -16.101 1.00 63.41 H new ATOM 0 HD21 ASN A 77 -1.264 15.747 -15.661 1.00 23.52 H new ATOM 0 HD22 ASN A 77 -1.013 14.045 -16.065 1.00 23.52 H new ATOM 1260 N GLU A 78 2.829 15.188 -13.646 1.00 31.32 N ATOM 1261 CA GLU A 78 2.667 15.354 -12.172 1.00 2.32 C ATOM 1262 C GLU A 78 3.860 14.812 -11.338 1.00 3.25 C ATOM 1263 O GLU A 78 4.902 14.429 -11.878 1.00 23.41 O ATOM 1264 CB GLU A 78 1.325 14.736 -11.687 1.00 31.53 C ATOM 1265 CG GLU A 78 0.065 15.422 -12.249 1.00 32.55 C ATOM 1266 CD GLU A 78 -1.230 14.917 -11.596 1.00 71.31 C ATOM 1267 OE1 GLU A 78 -1.638 15.480 -10.553 1.00 23.55 O ATOM 1268 OE2 GLU A 78 -1.834 13.951 -12.109 1.00 12.32 O ATOM 0 H GLU A 78 2.860 16.078 -14.144 1.00 31.32 H new ATOM 0 HA GLU A 78 2.650 16.430 -11.998 1.00 2.32 H new ATOM 0 HB2 GLU A 78 1.304 13.682 -11.965 1.00 31.53 H new ATOM 0 HB3 GLU A 78 1.292 14.780 -10.598 1.00 31.53 H new ATOM 0 HG2 GLU A 78 0.146 16.499 -12.099 1.00 32.55 H new ATOM 0 HG3 GLU A 78 0.014 15.253 -13.325 1.00 32.55 H new ATOM 1275 N ARG A 79 3.710 14.848 -9.996 1.00 20.31 N ATOM 1276 CA ARG A 79 4.685 14.252 -9.054 1.00 61.12 C ATOM 1277 C ARG A 79 4.002 13.148 -8.215 1.00 64.33 C ATOM 1278 O ARG A 79 4.153 11.953 -8.518 1.00 73.31 O ATOM 1279 CB ARG A 79 5.309 15.341 -8.132 1.00 63.54 C ATOM 1280 CG ARG A 79 6.075 16.460 -8.871 1.00 33.24 C ATOM 1281 CD ARG A 79 6.693 17.483 -7.896 1.00 15.32 C ATOM 1282 NE ARG A 79 7.346 18.605 -8.593 1.00 44.30 N ATOM 1283 CZ ARG A 79 7.341 19.860 -8.194 1.00 4.24 C ATOM 1284 NH1 ARG A 79 6.687 20.229 -7.131 1.00 30.43 N ATOM 1285 NH2 ARG A 79 7.974 20.746 -8.891 1.00 30.14 N ATOM 0 H ARG A 79 2.914 15.289 -9.536 1.00 20.31 H new ATOM 0 HA ARG A 79 5.494 13.804 -9.631 1.00 61.12 H new ATOM 0 HB2 ARG A 79 4.513 15.795 -7.541 1.00 63.54 H new ATOM 0 HB3 ARG A 79 5.990 14.857 -7.432 1.00 63.54 H new ATOM 0 HG2 ARG A 79 6.864 16.018 -9.479 1.00 33.24 H new ATOM 0 HG3 ARG A 79 5.397 16.974 -9.553 1.00 33.24 H new ATOM 0 HD2 ARG A 79 5.914 17.871 -7.240 1.00 15.32 H new ATOM 0 HD3 ARG A 79 7.423 16.980 -7.261 1.00 15.32 H new ATOM 0 HE ARG A 79 7.844 18.392 -9.457 1.00 44.30 H new ATOM 0 HH11 ARG A 79 6.165 19.541 -6.589 1.00 30.43 H new ATOM 0 HH12 ARG A 79 6.697 21.207 -6.840 1.00 30.43 H new ATOM 0 HH21 ARG A 79 8.469 20.469 -9.739 1.00 30.14 H new ATOM 0 HH22 ARG A 79 7.978 21.722 -8.593 1.00 30.14 H new ATOM 1299 N ASP A 80 3.237 13.573 -7.168 1.00 12.02 N ATOM 1300 CA ASP A 80 2.591 12.673 -6.166 1.00 22.24 C ATOM 1301 C ASP A 80 3.601 11.721 -5.460 1.00 61.33 C ATOM 1302 O ASP A 80 4.796 11.690 -5.793 1.00 31.44 O ATOM 1303 CB ASP A 80 1.420 11.880 -6.806 1.00 13.01 C ATOM 1304 CG ASP A 80 0.269 12.799 -7.250 1.00 4.52 C ATOM 1305 OD1 ASP A 80 0.287 13.294 -8.401 1.00 74.44 O ATOM 1306 OD2 ASP A 80 -0.656 13.056 -6.443 1.00 11.21 O ATOM 0 H ASP A 80 3.050 14.561 -6.994 1.00 12.02 H new ATOM 0 HA ASP A 80 2.186 13.317 -5.386 1.00 22.24 H new ATOM 0 HB2 ASP A 80 1.789 11.322 -7.666 1.00 13.01 H new ATOM 0 HB3 ASP A 80 1.044 11.150 -6.090 1.00 13.01 H new ATOM 1311 N TYR A 81 3.121 10.961 -4.458 1.00 40.42 N ATOM 1312 CA TYR A 81 3.961 9.986 -3.729 1.00 1.13 C ATOM 1313 C TYR A 81 3.075 9.027 -2.909 1.00 41.31 C ATOM 1314 O TYR A 81 2.394 9.442 -1.972 1.00 65.04 O ATOM 1315 CB TYR A 81 4.996 10.711 -2.820 1.00 10.13 C ATOM 1316 CG TYR A 81 5.974 9.783 -2.086 1.00 20.15 C ATOM 1317 CD1 TYR A 81 6.887 9.003 -2.801 1.00 41.31 C ATOM 1318 CD2 TYR A 81 6.003 9.701 -0.687 1.00 22.45 C ATOM 1319 CE1 TYR A 81 7.787 8.184 -2.154 1.00 65.53 C ATOM 1320 CE2 TYR A 81 6.902 8.877 -0.039 1.00 43.51 C ATOM 1321 CZ TYR A 81 7.793 8.123 -0.778 1.00 53.01 C ATOM 1322 OH TYR A 81 8.706 7.316 -0.137 1.00 22.55 O ATOM 0 H TYR A 81 2.155 11.002 -4.133 1.00 40.42 H new ATOM 0 HA TYR A 81 4.519 9.398 -4.457 1.00 1.13 H new ATOM 0 HB2 TYR A 81 5.569 11.408 -3.431 1.00 10.13 H new ATOM 0 HB3 TYR A 81 4.457 11.304 -2.081 1.00 10.13 H new ATOM 0 HD1 TYR A 81 6.887 9.043 -3.880 1.00 41.31 H new ATOM 0 HD2 TYR A 81 5.311 10.292 -0.106 1.00 22.45 H new ATOM 0 HE1 TYR A 81 8.486 7.591 -2.725 1.00 65.53 H new ATOM 0 HE2 TYR A 81 6.908 8.822 1.040 1.00 43.51 H new ATOM 0 HH TYR A 81 8.352 7.052 0.738 1.00 22.55 H new ATOM 1332 N PHE A 82 3.103 7.743 -3.286 1.00 23.03 N ATOM 1333 CA PHE A 82 2.328 6.669 -2.641 1.00 42.04 C ATOM 1334 C PHE A 82 3.293 5.541 -2.207 1.00 61.42 C ATOM 1335 O PHE A 82 3.992 4.964 -3.048 1.00 21.13 O ATOM 1336 CB PHE A 82 1.247 6.155 -3.640 1.00 70.11 C ATOM 1337 CG PHE A 82 0.409 4.967 -3.153 1.00 14.10 C ATOM 1338 CD1 PHE A 82 -0.503 5.114 -2.110 1.00 72.40 C ATOM 1339 CD2 PHE A 82 0.510 3.710 -3.760 1.00 34.30 C ATOM 1340 CE1 PHE A 82 -1.272 4.047 -1.683 1.00 42.21 C ATOM 1341 CE2 PHE A 82 -0.259 2.646 -3.327 1.00 32.32 C ATOM 1342 CZ PHE A 82 -1.154 2.818 -2.292 1.00 33.34 C ATOM 0 H PHE A 82 3.675 7.412 -4.063 1.00 23.03 H new ATOM 0 HA PHE A 82 1.818 7.037 -1.751 1.00 42.04 H new ATOM 0 HB2 PHE A 82 0.574 6.979 -3.876 1.00 70.11 H new ATOM 0 HB3 PHE A 82 1.742 5.872 -4.569 1.00 70.11 H new ATOM 0 HD1 PHE A 82 -0.611 6.075 -1.628 1.00 72.40 H new ATOM 0 HD2 PHE A 82 1.199 3.569 -4.579 1.00 34.30 H new ATOM 0 HE1 PHE A 82 -1.968 4.178 -0.868 1.00 42.21 H new ATOM 0 HE2 PHE A 82 -0.159 1.680 -3.799 1.00 32.32 H new ATOM 0 HZ PHE A 82 -1.762 1.989 -1.960 1.00 33.34 H new ATOM 1352 N GLU A 83 3.349 5.266 -0.893 1.00 63.51 N ATOM 1353 CA GLU A 83 4.158 4.169 -0.324 1.00 4.21 C ATOM 1354 C GLU A 83 3.381 3.429 0.782 1.00 25.21 C ATOM 1355 O GLU A 83 2.430 3.967 1.363 1.00 13.31 O ATOM 1356 CB GLU A 83 5.519 4.670 0.238 1.00 43.33 C ATOM 1357 CG GLU A 83 5.448 5.426 1.577 1.00 12.23 C ATOM 1358 CD GLU A 83 6.810 5.543 2.277 1.00 10.22 C ATOM 1359 OE1 GLU A 83 7.388 4.488 2.614 1.00 63.02 O ATOM 1360 OE2 GLU A 83 7.309 6.670 2.485 1.00 13.43 O ATOM 0 H GLU A 83 2.834 5.798 -0.192 1.00 63.51 H new ATOM 0 HA GLU A 83 4.367 3.480 -1.142 1.00 4.21 H new ATOM 0 HB2 GLU A 83 6.179 3.811 0.361 1.00 43.33 H new ATOM 0 HB3 GLU A 83 5.980 5.323 -0.503 1.00 43.33 H new ATOM 0 HG2 GLU A 83 5.049 6.425 1.402 1.00 12.23 H new ATOM 0 HG3 GLU A 83 4.749 4.915 2.239 1.00 12.23 H new ATOM 1367 N ILE A 84 3.798 2.181 1.053 1.00 14.21 N ATOM 1368 CA ILE A 84 3.184 1.317 2.076 1.00 42.23 C ATOM 1369 C ILE A 84 4.271 0.814 3.060 1.00 15.50 C ATOM 1370 O ILE A 84 5.326 0.323 2.648 1.00 44.35 O ATOM 1371 CB ILE A 84 2.414 0.079 1.464 1.00 13.21 C ATOM 1372 CG1 ILE A 84 1.323 0.509 0.411 1.00 55.41 C ATOM 1373 CG2 ILE A 84 1.774 -0.758 2.598 1.00 43.42 C ATOM 1374 CD1 ILE A 84 1.841 0.786 -0.992 1.00 14.33 C ATOM 0 H ILE A 84 4.577 1.740 0.564 1.00 14.21 H new ATOM 0 HA ILE A 84 2.446 1.926 2.598 1.00 42.23 H new ATOM 0 HB ILE A 84 3.145 -0.529 0.931 1.00 13.21 H new ATOM 0 HG12 ILE A 84 0.570 -0.277 0.353 1.00 55.41 H new ATOM 0 HG13 ILE A 84 0.822 1.405 0.778 1.00 55.41 H new ATOM 0 HG21 ILE A 84 1.245 -1.609 2.168 1.00 43.42 H new ATOM 0 HG22 ILE A 84 2.554 -1.117 3.270 1.00 43.42 H new ATOM 0 HG23 ILE A 84 1.072 -0.138 3.155 1.00 43.42 H new ATOM 0 HD11 ILE A 84 1.010 1.074 -1.636 1.00 14.33 H new ATOM 0 HD12 ILE A 84 2.570 1.595 -0.957 1.00 14.33 H new ATOM 0 HD13 ILE A 84 2.314 -0.112 -1.389 1.00 14.33 H new ATOM 1386 N LYS A 85 3.991 0.973 4.354 1.00 72.22 N ATOM 1387 CA LYS A 85 4.840 0.526 5.475 1.00 10.31 C ATOM 1388 C LYS A 85 3.981 -0.273 6.486 1.00 64.12 C ATOM 1389 O LYS A 85 2.757 -0.128 6.520 1.00 45.05 O ATOM 1390 CB LYS A 85 5.489 1.790 6.129 1.00 40.30 C ATOM 1391 CG LYS A 85 6.244 1.569 7.465 1.00 42.52 C ATOM 1392 CD LYS A 85 7.121 2.783 7.853 1.00 12.40 C ATOM 1393 CE LYS A 85 7.894 2.577 9.168 1.00 45.42 C ATOM 1394 NZ LYS A 85 7.004 2.624 10.349 1.00 3.32 N ATOM 0 H LYS A 85 3.137 1.433 4.669 1.00 72.22 H new ATOM 0 HA LYS A 85 5.635 -0.135 5.129 1.00 10.31 H new ATOM 0 HB2 LYS A 85 6.185 2.225 5.412 1.00 40.30 H new ATOM 0 HB3 LYS A 85 4.704 2.527 6.299 1.00 40.30 H new ATOM 0 HG2 LYS A 85 5.523 1.376 8.259 1.00 42.52 H new ATOM 0 HG3 LYS A 85 6.872 0.682 7.382 1.00 42.52 H new ATOM 0 HD2 LYS A 85 7.830 2.982 7.050 1.00 12.40 H new ATOM 0 HD3 LYS A 85 6.488 3.666 7.946 1.00 12.40 H new ATOM 0 HE2 LYS A 85 8.408 1.616 9.140 1.00 45.42 H new ATOM 0 HE3 LYS A 85 8.661 3.346 9.262 1.00 45.42 H new ATOM 0 HZ1 LYS A 85 7.391 2.018 11.100 1.00 3.32 H new ATOM 0 HZ2 LYS A 85 6.937 3.603 10.694 1.00 3.32 H new ATOM 0 HZ3 LYS A 85 6.057 2.285 10.084 1.00 3.32 H new ATOM 1408 N MET A 86 4.624 -1.148 7.275 1.00 73.54 N ATOM 1409 CA MET A 86 3.976 -1.867 8.393 1.00 4.14 C ATOM 1410 C MET A 86 4.966 -2.003 9.569 1.00 53.21 C ATOM 1411 O MET A 86 6.127 -2.392 9.387 1.00 4.34 O ATOM 1412 CB MET A 86 3.446 -3.261 7.947 1.00 10.43 C ATOM 1413 CG MET A 86 4.423 -4.076 7.098 1.00 22.24 C ATOM 1414 SD MET A 86 3.753 -5.674 6.604 1.00 2.55 S ATOM 1415 CE MET A 86 2.308 -5.192 5.660 1.00 54.30 C ATOM 0 H MET A 86 5.610 -1.380 7.159 1.00 73.54 H new ATOM 0 HA MET A 86 3.113 -1.287 8.720 1.00 4.14 H new ATOM 0 HB2 MET A 86 3.190 -3.838 8.835 1.00 10.43 H new ATOM 0 HB3 MET A 86 2.525 -3.120 7.382 1.00 10.43 H new ATOM 0 HG2 MET A 86 4.686 -3.506 6.207 1.00 22.24 H new ATOM 0 HG3 MET A 86 5.344 -4.231 7.660 1.00 22.24 H new ATOM 0 HE1 MET A 86 2.301 -5.723 4.708 1.00 54.30 H new ATOM 0 HE2 MET A 86 1.407 -5.441 6.221 1.00 54.30 H new ATOM 0 HE3 MET A 86 2.335 -4.118 5.476 1.00 54.30 H new ATOM 1425 N SER A 87 4.490 -1.665 10.770 1.00 64.44 N ATOM 1426 CA SER A 87 5.279 -1.744 12.017 1.00 22.14 C ATOM 1427 C SER A 87 4.848 -2.974 12.829 1.00 5.12 C ATOM 1428 O SER A 87 3.657 -3.191 13.038 1.00 13.02 O ATOM 1429 CB SER A 87 5.089 -0.469 12.864 1.00 62.21 C ATOM 1430 OG SER A 87 5.841 -0.525 14.071 1.00 11.25 O ATOM 0 H SER A 87 3.539 -1.325 10.913 1.00 64.44 H new ATOM 0 HA SER A 87 6.333 -1.833 11.754 1.00 22.14 H new ATOM 0 HB2 SER A 87 5.394 0.402 12.285 1.00 62.21 H new ATOM 0 HB3 SER A 87 4.032 -0.341 13.099 1.00 62.21 H new ATOM 0 HG SER A 87 5.700 0.299 14.583 1.00 11.25 H new ATOM 1436 N TYR A 88 5.819 -3.759 13.308 1.00 24.50 N ATOM 1437 CA TYR A 88 5.546 -5.000 14.053 1.00 15.40 C ATOM 1438 C TYR A 88 5.667 -4.755 15.576 1.00 0.21 C ATOM 1439 O TYR A 88 6.752 -4.430 16.074 1.00 42.54 O ATOM 1440 CB TYR A 88 6.526 -6.114 13.593 1.00 52.23 C ATOM 1441 CG TYR A 88 6.306 -7.474 14.287 1.00 55.21 C ATOM 1442 CD1 TYR A 88 5.194 -8.262 13.979 1.00 55.50 C ATOM 1443 CD2 TYR A 88 7.207 -7.967 15.242 1.00 44.05 C ATOM 1444 CE1 TYR A 88 4.987 -9.481 14.598 1.00 64.41 C ATOM 1445 CE2 TYR A 88 7.000 -9.186 15.861 1.00 53.04 C ATOM 1446 CZ TYR A 88 5.895 -9.939 15.537 1.00 34.40 C ATOM 1447 OH TYR A 88 5.695 -11.152 16.160 1.00 40.02 O ATOM 0 H TYR A 88 6.812 -3.557 13.193 1.00 24.50 H new ATOM 0 HA TYR A 88 4.526 -5.324 13.845 1.00 15.40 H new ATOM 0 HB2 TYR A 88 6.427 -6.248 12.516 1.00 52.23 H new ATOM 0 HB3 TYR A 88 7.548 -5.784 13.780 1.00 52.23 H new ATOM 0 HD1 TYR A 88 4.484 -7.913 13.244 1.00 55.50 H new ATOM 0 HD2 TYR A 88 8.079 -7.384 15.499 1.00 44.05 H new ATOM 0 HE1 TYR A 88 4.119 -10.074 14.350 1.00 64.41 H new ATOM 0 HE2 TYR A 88 7.704 -9.546 16.597 1.00 53.04 H new ATOM 0 HH TYR A 88 6.427 -11.321 16.789 1.00 40.02 H new ATOM 1457 N ASN A 89 4.545 -4.889 16.306 1.00 23.42 N ATOM 1458 CA ASN A 89 4.549 -4.841 17.780 1.00 40.24 C ATOM 1459 C ASN A 89 5.073 -6.185 18.335 1.00 54.22 C ATOM 1460 O ASN A 89 4.347 -7.178 18.351 1.00 44.21 O ATOM 1461 CB ASN A 89 3.136 -4.524 18.333 1.00 71.32 C ATOM 1462 CG ASN A 89 2.615 -3.145 17.917 1.00 20.23 C ATOM 1463 OD1 ASN A 89 2.937 -2.135 18.530 1.00 14.22 O ATOM 1464 ND2 ASN A 89 1.801 -3.095 16.888 1.00 2.14 N ATOM 0 H ASN A 89 3.621 -5.032 15.898 1.00 23.42 H new ATOM 0 HA ASN A 89 5.211 -4.039 18.106 1.00 40.24 H new ATOM 0 HB2 ASN A 89 2.439 -5.287 17.987 1.00 71.32 H new ATOM 0 HB3 ASN A 89 3.158 -4.583 19.421 1.00 71.32 H new ATOM 0 HD21 ASN A 89 1.421 -2.200 16.582 1.00 2.14 H new ATOM 0 HD22 ASN A 89 1.549 -3.952 16.395 1.00 2.14 H new ATOM 1471 N GLU A 90 6.349 -6.197 18.766 1.00 15.51 N ATOM 1472 CA GLU A 90 7.070 -7.413 19.221 1.00 42.21 C ATOM 1473 C GLU A 90 6.347 -8.169 20.379 1.00 34.51 C ATOM 1474 O GLU A 90 6.401 -9.403 20.464 1.00 74.22 O ATOM 1475 CB GLU A 90 8.499 -7.007 19.681 1.00 3.00 C ATOM 1476 CG GLU A 90 9.432 -8.188 20.018 1.00 43.11 C ATOM 1477 CD GLU A 90 10.756 -7.748 20.661 1.00 4.44 C ATOM 1478 OE1 GLU A 90 11.690 -7.367 19.927 1.00 65.41 O ATOM 1479 OE2 GLU A 90 10.858 -7.770 21.908 1.00 53.35 O ATOM 0 H GLU A 90 6.920 -5.353 18.811 1.00 15.51 H new ATOM 0 HA GLU A 90 7.105 -8.101 18.376 1.00 42.21 H new ATOM 0 HB2 GLU A 90 8.962 -6.410 18.895 1.00 3.00 H new ATOM 0 HB3 GLU A 90 8.414 -6.367 20.560 1.00 3.00 H new ATOM 0 HG2 GLU A 90 8.916 -8.869 20.694 1.00 43.11 H new ATOM 0 HG3 GLU A 90 9.646 -8.746 19.106 1.00 43.11 H new ATOM 1486 N LEU A 91 5.651 -7.409 21.241 1.00 33.53 N ATOM 1487 CA LEU A 91 5.066 -7.921 22.502 1.00 2.21 C ATOM 1488 C LEU A 91 3.637 -8.506 22.330 1.00 10.44 C ATOM 1489 O LEU A 91 3.098 -9.108 23.267 1.00 10.41 O ATOM 1490 CB LEU A 91 5.066 -6.774 23.546 1.00 1.11 C ATOM 1491 CG LEU A 91 6.475 -6.188 23.905 1.00 62.13 C ATOM 1492 CD1 LEU A 91 6.362 -4.974 24.856 1.00 65.55 C ATOM 1493 CD2 LEU A 91 7.402 -7.279 24.496 1.00 35.13 C ATOM 0 H LEU A 91 5.475 -6.416 21.086 1.00 33.53 H new ATOM 0 HA LEU A 91 5.683 -8.753 22.841 1.00 2.21 H new ATOM 0 HB2 LEU A 91 4.440 -5.964 23.170 1.00 1.11 H new ATOM 0 HB3 LEU A 91 4.600 -7.139 24.461 1.00 1.11 H new ATOM 0 HG LEU A 91 6.926 -5.834 22.978 1.00 62.13 H new ATOM 0 HD11 LEU A 91 7.359 -4.595 25.082 1.00 65.55 H new ATOM 0 HD12 LEU A 91 5.776 -4.190 24.377 1.00 65.55 H new ATOM 0 HD13 LEU A 91 5.872 -5.280 25.780 1.00 65.55 H new ATOM 0 HD21 LEU A 91 8.372 -6.842 24.735 1.00 35.13 H new ATOM 0 HD22 LEU A 91 6.954 -7.685 25.403 1.00 35.13 H new ATOM 0 HD23 LEU A 91 7.534 -8.078 23.767 1.00 35.13 H new ATOM 1505 N THR A 92 3.024 -8.333 21.140 1.00 4.30 N ATOM 1506 CA THR A 92 1.655 -8.862 20.863 1.00 35.42 C ATOM 1507 C THR A 92 1.537 -9.511 19.459 1.00 60.44 C ATOM 1508 O THR A 92 0.932 -10.578 19.314 1.00 44.30 O ATOM 1509 CB THR A 92 0.539 -7.768 21.058 1.00 74.43 C ATOM 1510 OG1 THR A 92 -0.753 -8.314 20.738 1.00 35.31 O ATOM 1511 CG2 THR A 92 0.793 -6.491 20.226 1.00 52.34 C ATOM 0 H THR A 92 3.445 -7.836 20.355 1.00 4.30 H new ATOM 0 HA THR A 92 1.491 -9.645 21.603 1.00 35.42 H new ATOM 0 HB THR A 92 0.569 -7.474 22.107 1.00 74.43 H new ATOM 0 HG1 THR A 92 -1.055 -7.956 19.877 1.00 35.31 H new ATOM 0 HG21 THR A 92 -0.010 -5.776 20.403 1.00 52.34 H new ATOM 0 HG22 THR A 92 1.745 -6.049 20.520 1.00 52.34 H new ATOM 0 HG23 THR A 92 0.824 -6.747 19.167 1.00 52.34 H new ATOM 1519 N GLY A 93 2.106 -8.858 18.437 1.00 21.21 N ATOM 1520 CA GLY A 93 2.097 -9.376 17.049 1.00 65.15 C ATOM 1521 C GLY A 93 1.375 -8.463 16.055 1.00 42.44 C ATOM 1522 O GLY A 93 1.561 -8.597 14.843 1.00 22.41 O ATOM 0 H GLY A 93 2.584 -7.963 18.540 1.00 21.21 H new ATOM 0 HA2 GLY A 93 3.126 -9.518 16.717 1.00 65.15 H new ATOM 0 HA3 GLY A 93 1.621 -10.356 17.040 1.00 65.15 H new ATOM 1526 N ASP A 94 0.531 -7.556 16.586 1.00 20.40 N ATOM 1527 CA ASP A 94 -0.259 -6.581 15.793 1.00 61.44 C ATOM 1528 C ASP A 94 0.623 -5.756 14.823 1.00 51.41 C ATOM 1529 O ASP A 94 1.770 -5.419 15.144 1.00 62.43 O ATOM 1530 CB ASP A 94 -1.021 -5.612 16.750 1.00 4.02 C ATOM 1531 CG ASP A 94 -2.070 -6.293 17.657 1.00 72.40 C ATOM 1532 OD1 ASP A 94 -1.816 -7.402 18.165 1.00 11.53 O ATOM 1533 OD2 ASP A 94 -3.144 -5.701 17.907 1.00 73.13 O ATOM 0 H ASP A 94 0.374 -7.475 17.591 1.00 20.40 H new ATOM 0 HA ASP A 94 -0.966 -7.153 15.192 1.00 61.44 H new ATOM 0 HB2 ASP A 94 -0.294 -5.099 17.380 1.00 4.02 H new ATOM 0 HB3 ASP A 94 -1.519 -4.849 16.152 1.00 4.02 H new ATOM 1538 N TYR A 95 0.086 -5.447 13.631 1.00 53.12 N ATOM 1539 CA TYR A 95 0.765 -4.557 12.662 1.00 1.45 C ATOM 1540 C TYR A 95 0.116 -3.153 12.647 1.00 42.43 C ATOM 1541 O TYR A 95 -1.101 -3.019 12.483 1.00 64.22 O ATOM 1542 CB TYR A 95 0.749 -5.179 11.232 1.00 65.33 C ATOM 1543 CG TYR A 95 1.807 -6.282 10.998 1.00 1.13 C ATOM 1544 CD1 TYR A 95 1.584 -7.609 11.373 1.00 61.12 C ATOM 1545 CD2 TYR A 95 3.033 -5.983 10.390 1.00 12.22 C ATOM 1546 CE1 TYR A 95 2.536 -8.592 11.140 1.00 75.13 C ATOM 1547 CE2 TYR A 95 3.985 -6.959 10.158 1.00 24.14 C ATOM 1548 CZ TYR A 95 3.735 -8.263 10.534 1.00 41.34 C ATOM 1549 OH TYR A 95 4.684 -9.241 10.299 1.00 43.41 O ATOM 0 H TYR A 95 -0.817 -5.798 13.311 1.00 53.12 H new ATOM 0 HA TYR A 95 1.802 -4.449 12.980 1.00 1.45 H new ATOM 0 HB2 TYR A 95 -0.240 -5.596 11.043 1.00 65.33 H new ATOM 0 HB3 TYR A 95 0.904 -4.384 10.503 1.00 65.33 H new ATOM 0 HD1 TYR A 95 0.654 -7.875 11.853 1.00 61.12 H new ATOM 0 HD2 TYR A 95 3.240 -4.965 10.095 1.00 12.22 H new ATOM 0 HE1 TYR A 95 2.341 -9.613 11.432 1.00 75.13 H new ATOM 0 HE2 TYR A 95 4.921 -6.702 9.684 1.00 24.14 H new ATOM 0 HH TYR A 95 5.466 -8.840 9.866 1.00 43.41 H new ATOM 1559 N VAL A 96 0.959 -2.117 12.813 1.00 60.50 N ATOM 1560 CA VAL A 96 0.583 -0.712 12.590 1.00 52.14 C ATOM 1561 C VAL A 96 0.844 -0.385 11.104 1.00 70.50 C ATOM 1562 O VAL A 96 1.982 -0.145 10.693 1.00 74.41 O ATOM 1563 CB VAL A 96 1.383 0.268 13.533 1.00 75.10 C ATOM 1564 CG1 VAL A 96 0.937 1.740 13.335 1.00 44.33 C ATOM 1565 CG2 VAL A 96 1.252 -0.160 15.018 1.00 13.53 C ATOM 0 H VAL A 96 1.928 -2.235 13.108 1.00 60.50 H new ATOM 0 HA VAL A 96 -0.471 -0.574 12.831 1.00 52.14 H new ATOM 0 HB VAL A 96 2.435 0.206 13.255 1.00 75.10 H new ATOM 0 HG11 VAL A 96 1.509 2.386 14.001 1.00 44.33 H new ATOM 0 HG12 VAL A 96 1.113 2.037 12.301 1.00 44.33 H new ATOM 0 HG13 VAL A 96 -0.125 1.832 13.564 1.00 44.33 H new ATOM 0 HG21 VAL A 96 1.812 0.532 15.647 1.00 13.53 H new ATOM 0 HG22 VAL A 96 0.202 -0.146 15.309 1.00 13.53 H new ATOM 0 HG23 VAL A 96 1.650 -1.167 15.143 1.00 13.53 H new ATOM 1575 N LEU A 97 -0.221 -0.406 10.312 1.00 23.24 N ATOM 1576 CA LEU A 97 -0.147 -0.389 8.847 1.00 32.51 C ATOM 1577 C LEU A 97 -0.246 1.061 8.330 1.00 11.44 C ATOM 1578 O LEU A 97 -1.314 1.659 8.321 1.00 72.03 O ATOM 1579 CB LEU A 97 -1.310 -1.266 8.319 1.00 3.21 C ATOM 1580 CG LEU A 97 -1.331 -1.564 6.798 1.00 12.33 C ATOM 1581 CD1 LEU A 97 -0.024 -2.254 6.345 1.00 24.34 C ATOM 1582 CD2 LEU A 97 -2.582 -2.403 6.436 1.00 32.42 C ATOM 0 H LEU A 97 -1.176 -0.436 10.669 1.00 23.24 H new ATOM 0 HA LEU A 97 0.804 -0.787 8.492 1.00 32.51 H new ATOM 0 HB2 LEU A 97 -1.285 -2.217 8.850 1.00 3.21 H new ATOM 0 HB3 LEU A 97 -2.249 -0.778 8.582 1.00 3.21 H new ATOM 0 HG LEU A 97 -1.392 -0.619 6.258 1.00 12.33 H new ATOM 0 HD11 LEU A 97 -0.069 -2.450 5.274 1.00 24.34 H new ATOM 0 HD12 LEU A 97 0.824 -1.604 6.560 1.00 24.34 H new ATOM 0 HD13 LEU A 97 0.095 -3.195 6.882 1.00 24.34 H new ATOM 0 HD21 LEU A 97 -2.586 -2.606 5.365 1.00 32.42 H new ATOM 0 HD22 LEU A 97 -2.559 -3.345 6.984 1.00 32.42 H new ATOM 0 HD23 LEU A 97 -3.482 -1.849 6.704 1.00 32.42 H new ATOM 1594 N GLU A 98 0.899 1.583 7.876 1.00 31.25 N ATOM 1595 CA GLU A 98 1.100 3.018 7.587 1.00 31.21 C ATOM 1596 C GLU A 98 1.281 3.254 6.071 1.00 74.41 C ATOM 1597 O GLU A 98 2.347 2.991 5.518 1.00 5.22 O ATOM 1598 CB GLU A 98 2.380 3.468 8.345 1.00 24.02 C ATOM 1599 CG GLU A 98 2.338 3.223 9.872 1.00 43.32 C ATOM 1600 CD GLU A 98 3.721 3.315 10.529 1.00 15.53 C ATOM 1601 OE1 GLU A 98 4.241 4.446 10.701 1.00 54.44 O ATOM 1602 OE2 GLU A 98 4.309 2.255 10.844 1.00 33.44 O ATOM 0 H GLU A 98 1.728 1.017 7.694 1.00 31.25 H new ATOM 0 HA GLU A 98 0.230 3.590 7.909 1.00 31.21 H new ATOM 0 HB2 GLU A 98 3.238 2.941 7.928 1.00 24.02 H new ATOM 0 HB3 GLU A 98 2.540 4.531 8.164 1.00 24.02 H new ATOM 0 HG2 GLU A 98 1.673 3.952 10.334 1.00 43.32 H new ATOM 0 HG3 GLU A 98 1.914 2.238 10.065 1.00 43.32 H new ATOM 1609 N ILE A 99 0.242 3.767 5.408 1.00 52.32 N ATOM 1610 CA ILE A 99 0.295 4.114 3.975 1.00 1.24 C ATOM 1611 C ILE A 99 0.524 5.641 3.843 1.00 42.11 C ATOM 1612 O ILE A 99 -0.331 6.428 4.233 1.00 10.12 O ATOM 1613 CB ILE A 99 -1.037 3.671 3.217 1.00 34.24 C ATOM 1614 CG1 ILE A 99 -1.172 2.101 3.106 1.00 41.42 C ATOM 1615 CG2 ILE A 99 -1.132 4.312 1.810 1.00 41.14 C ATOM 1616 CD1 ILE A 99 -1.458 1.359 4.399 1.00 1.32 C ATOM 0 H ILE A 99 -0.661 3.956 5.843 1.00 52.32 H new ATOM 0 HA ILE A 99 1.119 3.576 3.507 1.00 1.24 H new ATOM 0 HB ILE A 99 -1.866 4.035 3.824 1.00 34.24 H new ATOM 0 HG12 ILE A 99 -1.969 1.875 2.398 1.00 41.42 H new ATOM 0 HG13 ILE A 99 -0.248 1.707 2.682 1.00 41.42 H new ATOM 0 HG21 ILE A 99 -2.052 3.988 1.324 1.00 41.14 H new ATOM 0 HG22 ILE A 99 -1.135 5.398 1.904 1.00 41.14 H new ATOM 0 HG23 ILE A 99 -0.276 4.002 1.211 1.00 41.14 H new ATOM 0 HD11 ILE A 99 -1.529 0.290 4.197 1.00 1.32 H new ATOM 0 HD12 ILE A 99 -0.651 1.541 5.109 1.00 1.32 H new ATOM 0 HD13 ILE A 99 -2.399 1.712 4.821 1.00 1.32 H new ATOM 1628 N THR A 100 1.685 6.057 3.306 1.00 3.24 N ATOM 1629 CA THR A 100 1.994 7.491 3.093 1.00 2.22 C ATOM 1630 C THR A 100 1.643 7.881 1.643 1.00 42.05 C ATOM 1631 O THR A 100 2.379 7.569 0.705 1.00 23.51 O ATOM 1632 CB THR A 100 3.490 7.812 3.417 1.00 64.21 C ATOM 1633 OG1 THR A 100 3.761 7.516 4.799 1.00 75.40 O ATOM 1634 CG2 THR A 100 3.875 9.277 3.117 1.00 23.12 C ATOM 0 H THR A 100 2.428 5.424 3.010 1.00 3.24 H new ATOM 0 HA THR A 100 1.388 8.084 3.779 1.00 2.22 H new ATOM 0 HB THR A 100 4.096 7.184 2.764 1.00 64.21 H new ATOM 0 HG1 THR A 100 4.699 7.716 4.999 1.00 75.40 H new ATOM 0 HG21 THR A 100 4.925 9.435 3.363 1.00 23.12 H new ATOM 0 HG22 THR A 100 3.715 9.486 2.059 1.00 23.12 H new ATOM 0 HG23 THR A 100 3.257 9.946 3.717 1.00 23.12 H new ATOM 1642 N ASP A 101 0.483 8.526 1.486 1.00 44.33 N ATOM 1643 CA ASP A 101 -0.069 8.940 0.186 1.00 52.54 C ATOM 1644 C ASP A 101 -0.148 10.485 0.106 1.00 1.04 C ATOM 1645 O ASP A 101 -0.130 11.170 1.123 1.00 1.22 O ATOM 1646 CB ASP A 101 -1.466 8.287 0.018 1.00 41.14 C ATOM 1647 CG ASP A 101 -2.163 8.654 -1.303 1.00 71.42 C ATOM 1648 OD1 ASP A 101 -1.721 8.184 -2.375 1.00 33.33 O ATOM 1649 OD2 ASP A 101 -3.146 9.424 -1.276 1.00 54.33 O ATOM 0 H ASP A 101 -0.113 8.782 2.273 1.00 44.33 H new ATOM 0 HA ASP A 101 0.578 8.609 -0.626 1.00 52.54 H new ATOM 0 HB2 ASP A 101 -1.360 7.204 0.074 1.00 41.14 H new ATOM 0 HB3 ASP A 101 -2.101 8.589 0.850 1.00 41.14 H new ATOM 1654 N PHE A 102 -0.200 11.021 -1.124 1.00 72.24 N ATOM 1655 CA PHE A 102 -0.381 12.471 -1.390 1.00 52.13 C ATOM 1656 C PHE A 102 -1.693 12.692 -2.167 1.00 44.42 C ATOM 1657 O PHE A 102 -1.865 12.170 -3.277 1.00 51.24 O ATOM 1658 CB PHE A 102 0.833 13.047 -2.189 1.00 33.25 C ATOM 1659 CG PHE A 102 2.093 13.336 -1.358 1.00 43.42 C ATOM 1660 CD1 PHE A 102 2.693 12.346 -0.586 1.00 52.43 C ATOM 1661 CD2 PHE A 102 2.677 14.610 -1.348 1.00 72.31 C ATOM 1662 CE1 PHE A 102 3.824 12.606 0.161 1.00 73.35 C ATOM 1663 CE2 PHE A 102 3.808 14.868 -0.599 1.00 31.32 C ATOM 1664 CZ PHE A 102 4.381 13.868 0.156 1.00 22.04 C ATOM 0 H PHE A 102 -0.118 10.462 -1.973 1.00 72.24 H new ATOM 0 HA PHE A 102 -0.434 13.000 -0.438 1.00 52.13 H new ATOM 0 HB2 PHE A 102 1.093 12.342 -2.979 1.00 33.25 H new ATOM 0 HB3 PHE A 102 0.520 13.971 -2.676 1.00 33.25 H new ATOM 0 HD1 PHE A 102 2.265 11.354 -0.571 1.00 52.43 H new ATOM 0 HD2 PHE A 102 2.236 15.402 -1.935 1.00 72.31 H new ATOM 0 HE1 PHE A 102 4.274 11.820 0.750 1.00 73.35 H new ATOM 0 HE2 PHE A 102 4.244 15.856 -0.605 1.00 31.32 H new ATOM 0 HZ PHE A 102 5.265 14.072 0.743 1.00 22.04 H new ATOM 1674 N SER A 103 -2.606 13.478 -1.579 1.00 13.34 N ATOM 1675 CA SER A 103 -3.897 13.837 -2.202 1.00 4.34 C ATOM 1676 C SER A 103 -4.369 15.229 -1.745 1.00 70.44 C ATOM 1677 O SER A 103 -4.244 15.595 -0.570 1.00 62.21 O ATOM 1678 CB SER A 103 -4.991 12.775 -1.893 1.00 53.13 C ATOM 1679 OG SER A 103 -4.749 11.563 -2.581 1.00 4.10 O ATOM 0 H SER A 103 -2.473 13.887 -0.654 1.00 13.34 H new ATOM 0 HA SER A 103 -3.737 13.862 -3.280 1.00 4.34 H new ATOM 0 HB2 SER A 103 -5.022 12.585 -0.820 1.00 53.13 H new ATOM 0 HB3 SER A 103 -5.968 13.166 -2.176 1.00 53.13 H new ATOM 0 HG SER A 103 -4.222 10.964 -2.012 1.00 4.10 H new ATOM 1685 N GLU A 104 -4.896 15.996 -2.712 1.00 43.34 N ATOM 1686 CA GLU A 104 -5.564 17.299 -2.475 1.00 24.32 C ATOM 1687 C GLU A 104 -6.824 17.134 -1.595 1.00 40.33 C ATOM 1688 O GLU A 104 -7.438 16.080 -1.619 1.00 23.54 O ATOM 1689 CB GLU A 104 -5.929 17.915 -3.847 1.00 71.20 C ATOM 1690 CG GLU A 104 -6.756 16.977 -4.750 1.00 33.04 C ATOM 1691 CD GLU A 104 -7.059 17.585 -6.119 1.00 70.13 C ATOM 1692 OE1 GLU A 104 -6.144 17.609 -6.980 1.00 23.13 O ATOM 1693 OE2 GLU A 104 -8.197 18.049 -6.344 1.00 20.52 O ATOM 0 H GLU A 104 -4.873 15.731 -3.697 1.00 43.34 H new ATOM 0 HA GLU A 104 -4.886 17.962 -1.937 1.00 24.32 H new ATOM 0 HB2 GLU A 104 -6.490 18.835 -3.684 1.00 71.20 H new ATOM 0 HB3 GLU A 104 -5.011 18.189 -4.367 1.00 71.20 H new ATOM 0 HG2 GLU A 104 -6.215 16.041 -4.886 1.00 33.04 H new ATOM 0 HG3 GLU A 104 -7.694 16.733 -4.250 1.00 33.04 H new ATOM 1700 N ALA A 105 -7.186 18.187 -0.831 1.00 2.23 N ATOM 1701 CA ALA A 105 -8.322 18.174 0.153 1.00 3.24 C ATOM 1702 C ALA A 105 -9.646 17.578 -0.408 1.00 71.31 C ATOM 1703 O ALA A 105 -10.358 16.858 0.302 1.00 5.20 O ATOM 1704 CB ALA A 105 -8.566 19.600 0.691 1.00 32.04 C ATOM 0 H ALA A 105 -6.702 19.084 -0.870 1.00 2.23 H new ATOM 0 HA ALA A 105 -8.016 17.508 0.960 1.00 3.24 H new ATOM 0 HB1 ALA A 105 -9.391 19.584 1.404 1.00 32.04 H new ATOM 0 HB2 ALA A 105 -7.665 19.961 1.187 1.00 32.04 H new ATOM 0 HB3 ALA A 105 -8.815 20.264 -0.137 1.00 32.04 H new ATOM 1710 N ASP A 106 -9.944 17.881 -1.684 1.00 53.32 N ATOM 1711 CA ASP A 106 -11.154 17.389 -2.391 1.00 15.34 C ATOM 1712 C ASP A 106 -11.212 15.844 -2.498 1.00 0.41 C ATOM 1713 O ASP A 106 -12.288 15.251 -2.444 1.00 11.53 O ATOM 1714 CB ASP A 106 -11.211 18.007 -3.806 1.00 71.11 C ATOM 1715 CG ASP A 106 -11.345 19.533 -3.759 1.00 73.12 C ATOM 1716 OD1 ASP A 106 -10.311 20.233 -3.649 1.00 23.13 O ATOM 1717 OD2 ASP A 106 -12.489 20.039 -3.786 1.00 75.14 O ATOM 0 H ASP A 106 -9.352 18.477 -2.263 1.00 53.32 H new ATOM 0 HA ASP A 106 -12.015 17.698 -1.799 1.00 15.34 H new ATOM 0 HB2 ASP A 106 -10.309 17.739 -4.356 1.00 71.11 H new ATOM 0 HB3 ASP A 106 -12.055 17.585 -4.352 1.00 71.11 H new ATOM 1722 N GLU A 107 -10.042 15.211 -2.659 1.00 51.35 N ATOM 1723 CA GLU A 107 -9.921 13.745 -2.867 1.00 35.22 C ATOM 1724 C GLU A 107 -9.441 13.018 -1.590 1.00 73.12 C ATOM 1725 O GLU A 107 -9.747 11.847 -1.380 1.00 20.21 O ATOM 1726 CB GLU A 107 -8.947 13.481 -4.050 1.00 64.42 C ATOM 1727 CG GLU A 107 -9.384 14.138 -5.384 1.00 10.35 C ATOM 1728 CD GLU A 107 -10.763 13.655 -5.883 1.00 53.03 C ATOM 1729 OE1 GLU A 107 -10.831 12.560 -6.489 1.00 35.32 O ATOM 1730 OE2 GLU A 107 -11.788 14.354 -5.670 1.00 73.01 O ATOM 0 H GLU A 107 -9.144 15.695 -2.650 1.00 51.35 H new ATOM 0 HA GLU A 107 -10.907 13.345 -3.104 1.00 35.22 H new ATOM 0 HB2 GLU A 107 -7.957 13.851 -3.782 1.00 64.42 H new ATOM 0 HB3 GLU A 107 -8.856 12.405 -4.199 1.00 64.42 H new ATOM 0 HG2 GLU A 107 -9.411 15.220 -5.256 1.00 10.35 H new ATOM 0 HG3 GLU A 107 -8.635 13.926 -6.147 1.00 10.35 H new ATOM 1737 N ALA A 108 -8.701 13.741 -0.739 1.00 1.24 N ATOM 1738 CA ALA A 108 -8.105 13.197 0.506 1.00 53.44 C ATOM 1739 C ALA A 108 -9.164 12.997 1.602 1.00 45.31 C ATOM 1740 O ALA A 108 -9.006 12.141 2.470 1.00 45.24 O ATOM 1741 CB ALA A 108 -6.983 14.113 1.009 1.00 11.53 C ATOM 0 H ALA A 108 -8.493 14.728 -0.889 1.00 1.24 H new ATOM 0 HA ALA A 108 -7.684 12.220 0.269 1.00 53.44 H new ATOM 0 HB1 ALA A 108 -6.557 13.699 1.923 1.00 11.53 H new ATOM 0 HB2 ALA A 108 -6.206 14.188 0.248 1.00 11.53 H new ATOM 0 HB3 ALA A 108 -7.387 15.104 1.214 1.00 11.53 H new ATOM 1747 N ASP A 109 -10.237 13.803 1.542 1.00 11.43 N ATOM 1748 CA ASP A 109 -11.399 13.698 2.450 1.00 0.30 C ATOM 1749 C ASP A 109 -12.097 12.310 2.308 1.00 41.44 C ATOM 1750 O ASP A 109 -12.621 11.753 3.284 1.00 63.24 O ATOM 1751 CB ASP A 109 -12.372 14.867 2.143 1.00 33.40 C ATOM 1752 CG ASP A 109 -13.479 15.039 3.194 1.00 20.54 C ATOM 1753 OD1 ASP A 109 -13.150 15.272 4.376 1.00 31.22 O ATOM 1754 OD2 ASP A 109 -14.676 14.973 2.851 1.00 52.33 O ATOM 0 H ASP A 109 -10.326 14.553 0.857 1.00 11.43 H new ATOM 0 HA ASP A 109 -11.068 13.773 3.486 1.00 0.30 H new ATOM 0 HB2 ASP A 109 -11.802 15.794 2.073 1.00 33.40 H new ATOM 0 HB3 ASP A 109 -12.831 14.700 1.168 1.00 33.40 H new ATOM 1759 N ASP A 110 -12.054 11.759 1.079 1.00 60.40 N ATOM 1760 CA ASP A 110 -12.528 10.391 0.766 1.00 41.24 C ATOM 1761 C ASP A 110 -11.619 9.331 1.428 1.00 0.14 C ATOM 1762 O ASP A 110 -12.104 8.331 1.954 1.00 33.34 O ATOM 1763 CB ASP A 110 -12.550 10.177 -0.768 1.00 32.25 C ATOM 1764 CG ASP A 110 -13.422 11.202 -1.502 1.00 50.04 C ATOM 1765 OD1 ASP A 110 -13.015 12.380 -1.600 1.00 70.20 O ATOM 1766 OD2 ASP A 110 -14.519 10.840 -1.984 1.00 22.14 O ATOM 0 H ASP A 110 -11.686 12.253 0.266 1.00 60.40 H new ATOM 0 HA ASP A 110 -13.537 10.279 1.162 1.00 41.24 H new ATOM 0 HB2 ASP A 110 -11.531 10.233 -1.152 1.00 32.25 H new ATOM 0 HB3 ASP A 110 -12.917 9.174 -0.984 1.00 32.25 H new ATOM 1771 N LEU A 111 -10.292 9.576 1.379 1.00 33.45 N ATOM 1772 CA LEU A 111 -9.264 8.725 2.042 1.00 62.05 C ATOM 1773 C LEU A 111 -9.442 8.701 3.582 1.00 74.33 C ATOM 1774 O LEU A 111 -9.177 7.686 4.214 1.00 73.44 O ATOM 1775 CB LEU A 111 -7.823 9.219 1.681 1.00 43.12 C ATOM 1776 CG LEU A 111 -7.198 8.710 0.338 1.00 35.35 C ATOM 1777 CD1 LEU A 111 -7.025 7.176 0.347 1.00 52.40 C ATOM 1778 CD2 LEU A 111 -8.001 9.179 -0.890 1.00 12.54 C ATOM 0 H LEU A 111 -9.896 10.371 0.878 1.00 33.45 H new ATOM 0 HA LEU A 111 -9.399 7.709 1.671 1.00 62.05 H new ATOM 0 HB2 LEU A 111 -7.838 10.309 1.653 1.00 43.12 H new ATOM 0 HB3 LEU A 111 -7.156 8.931 2.493 1.00 43.12 H new ATOM 0 HG LEU A 111 -6.207 9.157 0.257 1.00 35.35 H new ATOM 0 HD11 LEU A 111 -6.589 6.853 -0.599 1.00 52.40 H new ATOM 0 HD12 LEU A 111 -6.367 6.889 1.167 1.00 52.40 H new ATOM 0 HD13 LEU A 111 -7.997 6.701 0.479 1.00 52.40 H new ATOM 0 HD21 LEU A 111 -7.530 8.802 -1.798 1.00 12.54 H new ATOM 0 HD22 LEU A 111 -9.020 8.799 -0.825 1.00 12.54 H new ATOM 0 HD23 LEU A 111 -8.021 10.268 -0.917 1.00 12.54 H new ATOM 1790 N LYS A 112 -9.861 9.840 4.162 1.00 42.33 N ATOM 1791 CA LYS A 112 -10.136 9.965 5.622 1.00 55.11 C ATOM 1792 C LYS A 112 -11.306 9.044 6.071 1.00 34.11 C ATOM 1793 O LYS A 112 -11.219 8.376 7.109 1.00 63.32 O ATOM 1794 CB LYS A 112 -10.463 11.437 5.987 1.00 43.41 C ATOM 1795 CG LYS A 112 -9.367 12.464 5.624 1.00 52.51 C ATOM 1796 CD LYS A 112 -8.048 12.271 6.411 1.00 34.40 C ATOM 1797 CE LYS A 112 -6.948 13.257 5.961 1.00 13.14 C ATOM 1798 NZ LYS A 112 -5.765 13.219 6.849 1.00 21.41 N ATOM 0 H LYS A 112 -10.021 10.703 3.642 1.00 42.33 H new ATOM 0 HA LYS A 112 -9.235 9.649 6.149 1.00 55.11 H new ATOM 0 HB2 LYS A 112 -11.387 11.723 5.484 1.00 43.41 H new ATOM 0 HB3 LYS A 112 -10.652 11.495 7.059 1.00 43.41 H new ATOM 0 HG2 LYS A 112 -9.156 12.395 4.557 1.00 52.51 H new ATOM 0 HG3 LYS A 112 -9.747 13.469 5.810 1.00 52.51 H new ATOM 0 HD2 LYS A 112 -8.240 12.405 7.476 1.00 34.40 H new ATOM 0 HD3 LYS A 112 -7.694 11.249 6.277 1.00 34.40 H new ATOM 0 HE2 LYS A 112 -6.643 13.018 4.942 1.00 13.14 H new ATOM 0 HE3 LYS A 112 -7.354 14.268 5.943 1.00 13.14 H new ATOM 0 HZ1 LYS A 112 -5.053 13.897 6.508 1.00 21.41 H new ATOM 0 HZ2 LYS A 112 -6.049 13.473 7.817 1.00 21.41 H new ATOM 0 HZ3 LYS A 112 -5.360 12.261 6.847 1.00 21.41 H new ATOM 1812 N GLU A 113 -12.404 9.035 5.285 1.00 50.01 N ATOM 1813 CA GLU A 113 -13.572 8.160 5.553 1.00 50.53 C ATOM 1814 C GLU A 113 -13.251 6.684 5.238 1.00 30.10 C ATOM 1815 O GLU A 113 -13.702 5.788 5.946 1.00 43.54 O ATOM 1816 CB GLU A 113 -14.813 8.637 4.757 1.00 45.44 C ATOM 1817 CG GLU A 113 -15.388 9.985 5.239 1.00 54.45 C ATOM 1818 CD GLU A 113 -16.710 10.360 4.547 1.00 35.14 C ATOM 1819 OE1 GLU A 113 -17.732 9.680 4.796 1.00 62.15 O ATOM 1820 OE2 GLU A 113 -16.741 11.319 3.749 1.00 35.24 O ATOM 0 H GLU A 113 -12.509 9.623 4.458 1.00 50.01 H new ATOM 0 HA GLU A 113 -13.802 8.230 6.616 1.00 50.53 H new ATOM 0 HB2 GLU A 113 -14.545 8.724 3.704 1.00 45.44 H new ATOM 0 HB3 GLU A 113 -15.591 7.876 4.826 1.00 45.44 H new ATOM 0 HG2 GLU A 113 -15.549 9.940 6.316 1.00 54.45 H new ATOM 0 HG3 GLU A 113 -14.655 10.771 5.059 1.00 54.45 H new ATOM 1827 N LEU A 114 -12.453 6.457 4.176 1.00 43.23 N ATOM 1828 CA LEU A 114 -11.950 5.108 3.804 1.00 5.33 C ATOM 1829 C LEU A 114 -11.079 4.520 4.941 1.00 24.43 C ATOM 1830 O LEU A 114 -11.170 3.335 5.255 1.00 12.41 O ATOM 1831 CB LEU A 114 -11.136 5.191 2.484 1.00 23.33 C ATOM 1832 CG LEU A 114 -10.536 3.850 1.945 1.00 13.54 C ATOM 1833 CD1 LEU A 114 -11.638 2.803 1.656 1.00 43.54 C ATOM 1834 CD2 LEU A 114 -9.654 4.102 0.698 1.00 70.21 C ATOM 0 H LEU A 114 -12.136 7.197 3.550 1.00 43.23 H new ATOM 0 HA LEU A 114 -12.803 4.446 3.651 1.00 5.33 H new ATOM 0 HB2 LEU A 114 -11.781 5.610 1.712 1.00 23.33 H new ATOM 0 HB3 LEU A 114 -10.317 5.895 2.632 1.00 23.33 H new ATOM 0 HG LEU A 114 -9.901 3.436 2.728 1.00 13.54 H new ATOM 0 HD11 LEU A 114 -11.180 1.886 1.284 1.00 43.54 H new ATOM 0 HD12 LEU A 114 -12.186 2.588 2.574 1.00 43.54 H new ATOM 0 HD13 LEU A 114 -12.325 3.196 0.907 1.00 43.54 H new ATOM 0 HD21 LEU A 114 -9.248 3.155 0.342 1.00 70.21 H new ATOM 0 HD22 LEU A 114 -10.257 4.557 -0.088 1.00 70.21 H new ATOM 0 HD23 LEU A 114 -8.835 4.772 0.961 1.00 70.21 H new ATOM 1846 N TRP A 115 -10.264 5.394 5.554 1.00 4.41 N ATOM 1847 CA TRP A 115 -9.428 5.069 6.728 1.00 4.54 C ATOM 1848 C TRP A 115 -10.295 4.531 7.893 1.00 21.52 C ATOM 1849 O TRP A 115 -10.096 3.399 8.350 1.00 44.15 O ATOM 1850 CB TRP A 115 -8.623 6.339 7.147 1.00 52.22 C ATOM 1851 CG TRP A 115 -7.933 6.259 8.492 1.00 42.24 C ATOM 1852 CD1 TRP A 115 -6.749 5.647 8.781 1.00 34.22 C ATOM 1853 CD2 TRP A 115 -8.404 6.818 9.732 1.00 51.32 C ATOM 1854 NE1 TRP A 115 -6.456 5.802 10.113 1.00 62.41 N ATOM 1855 CE2 TRP A 115 -7.461 6.501 10.718 1.00 24.45 C ATOM 1856 CE3 TRP A 115 -9.537 7.548 10.096 1.00 75.24 C ATOM 1857 CZ2 TRP A 115 -7.608 6.890 12.047 1.00 15.32 C ATOM 1858 CZ3 TRP A 115 -9.688 7.931 11.413 1.00 21.03 C ATOM 1859 CH2 TRP A 115 -8.728 7.602 12.377 1.00 4.32 C ATOM 0 H TRP A 115 -10.164 6.361 5.246 1.00 4.41 H new ATOM 0 HA TRP A 115 -8.725 4.278 6.467 1.00 4.54 H new ATOM 0 HB2 TRP A 115 -7.871 6.539 6.384 1.00 52.22 H new ATOM 0 HB3 TRP A 115 -9.302 7.191 7.157 1.00 52.22 H new ATOM 0 HD1 TRP A 115 -6.133 5.119 8.068 1.00 34.22 H new ATOM 0 HE1 TRP A 115 -5.619 5.450 10.578 1.00 62.41 H new ATOM 0 HE3 TRP A 115 -10.283 7.809 9.359 1.00 75.24 H new ATOM 0 HZ2 TRP A 115 -6.865 6.639 12.790 1.00 15.32 H new ATOM 0 HZ3 TRP A 115 -10.562 8.494 11.705 1.00 21.03 H new ATOM 0 HH2 TRP A 115 -8.874 7.916 13.400 1.00 4.32 H new ATOM 1870 N ASP A 116 -11.281 5.343 8.324 1.00 70.43 N ATOM 1871 CA ASP A 116 -12.163 5.013 9.465 1.00 13.32 C ATOM 1872 C ASP A 116 -13.042 3.773 9.162 1.00 15.44 C ATOM 1873 O ASP A 116 -13.342 2.991 10.065 1.00 3.43 O ATOM 1874 CB ASP A 116 -13.033 6.238 9.842 1.00 30.52 C ATOM 1875 CG ASP A 116 -13.817 6.025 11.150 1.00 62.13 C ATOM 1876 OD1 ASP A 116 -13.175 5.946 12.220 1.00 74.24 O ATOM 1877 OD2 ASP A 116 -15.062 5.933 11.114 1.00 55.24 O ATOM 0 H ASP A 116 -11.489 6.244 7.893 1.00 70.43 H new ATOM 0 HA ASP A 116 -11.534 4.761 10.319 1.00 13.32 H new ATOM 0 HB2 ASP A 116 -12.394 7.115 9.944 1.00 30.52 H new ATOM 0 HB3 ASP A 116 -13.733 6.445 9.032 1.00 30.52 H new ATOM 1882 N SER A 117 -13.419 3.602 7.878 1.00 40.30 N ATOM 1883 CA SER A 117 -14.147 2.402 7.398 1.00 11.34 C ATOM 1884 C SER A 117 -13.327 1.120 7.645 1.00 23.12 C ATOM 1885 O SER A 117 -13.819 0.184 8.273 1.00 63.50 O ATOM 1886 CB SER A 117 -14.481 2.520 5.891 1.00 52.50 C ATOM 1887 OG SER A 117 -15.432 3.542 5.637 1.00 1.01 O ATOM 0 H SER A 117 -13.230 4.286 7.146 1.00 40.30 H new ATOM 0 HA SER A 117 -15.077 2.340 7.963 1.00 11.34 H new ATOM 0 HB2 SER A 117 -13.568 2.727 5.332 1.00 52.50 H new ATOM 0 HB3 SER A 117 -14.867 1.567 5.529 1.00 52.50 H new ATOM 0 HG SER A 117 -14.994 4.417 5.689 1.00 1.01 H new ATOM 1893 N GLN A 118 -12.058 1.113 7.179 1.00 1.11 N ATOM 1894 CA GLN A 118 -11.159 -0.065 7.292 1.00 4.44 C ATOM 1895 C GLN A 118 -10.820 -0.393 8.766 1.00 23.23 C ATOM 1896 O GLN A 118 -10.747 -1.564 9.131 1.00 45.13 O ATOM 1897 CB GLN A 118 -9.856 0.147 6.474 1.00 1.24 C ATOM 1898 CG GLN A 118 -10.045 0.375 4.956 1.00 2.35 C ATOM 1899 CD GLN A 118 -10.849 -0.729 4.271 1.00 41.43 C ATOM 1900 OE1 GLN A 118 -12.061 -0.631 4.120 1.00 24.14 O ATOM 1901 NE2 GLN A 118 -10.187 -1.795 3.879 1.00 4.13 N ATOM 0 H GLN A 118 -11.628 1.915 6.717 1.00 1.11 H new ATOM 0 HA GLN A 118 -11.697 -0.917 6.877 1.00 4.44 H new ATOM 0 HB2 GLN A 118 -9.325 1.004 6.888 1.00 1.24 H new ATOM 0 HB3 GLN A 118 -9.215 -0.723 6.615 1.00 1.24 H new ATOM 0 HG2 GLN A 118 -10.547 1.330 4.799 1.00 2.35 H new ATOM 0 HG3 GLN A 118 -9.066 0.448 4.483 1.00 2.35 H new ATOM 0 HE21 GLN A 118 -9.178 -1.848 4.018 1.00 4.13 H new ATOM 0 HE22 GLN A 118 -10.682 -2.569 3.436 1.00 4.13 H new ATOM 1910 N VAL A 119 -10.645 0.652 9.599 1.00 54.25 N ATOM 1911 CA VAL A 119 -10.402 0.490 11.053 1.00 32.44 C ATOM 1912 C VAL A 119 -11.643 -0.149 11.737 1.00 53.41 C ATOM 1913 O VAL A 119 -11.509 -1.106 12.504 1.00 2.13 O ATOM 1914 CB VAL A 119 -10.030 1.861 11.743 1.00 54.44 C ATOM 1915 CG1 VAL A 119 -9.859 1.698 13.277 1.00 13.11 C ATOM 1916 CG2 VAL A 119 -8.750 2.478 11.114 1.00 62.34 C ATOM 0 H VAL A 119 -10.667 1.624 9.291 1.00 54.25 H new ATOM 0 HA VAL A 119 -9.548 -0.176 11.175 1.00 32.44 H new ATOM 0 HB VAL A 119 -10.860 2.546 11.569 1.00 54.44 H new ATOM 0 HG11 VAL A 119 -9.603 2.661 13.719 1.00 13.11 H new ATOM 0 HG12 VAL A 119 -10.791 1.336 13.711 1.00 13.11 H new ATOM 0 HG13 VAL A 119 -9.062 0.983 13.480 1.00 13.11 H new ATOM 0 HG21 VAL A 119 -8.519 3.421 11.610 1.00 62.34 H new ATOM 0 HG22 VAL A 119 -7.915 1.789 11.238 1.00 62.34 H new ATOM 0 HG23 VAL A 119 -8.917 2.658 10.052 1.00 62.34 H new ATOM 1926 N SER A 120 -12.847 0.373 11.402 1.00 73.20 N ATOM 1927 CA SER A 120 -14.147 -0.168 11.899 1.00 23.42 C ATOM 1928 C SER A 120 -14.349 -1.645 11.489 1.00 45.14 C ATOM 1929 O SER A 120 -14.918 -2.435 12.245 1.00 72.24 O ATOM 1930 CB SER A 120 -15.337 0.675 11.380 1.00 53.43 C ATOM 1931 OG SER A 120 -15.301 2.004 11.882 1.00 51.12 O ATOM 0 H SER A 120 -12.951 1.177 10.783 1.00 73.20 H new ATOM 0 HA SER A 120 -14.113 -0.112 12.987 1.00 23.42 H new ATOM 0 HB2 SER A 120 -15.319 0.697 10.290 1.00 53.43 H new ATOM 0 HB3 SER A 120 -16.274 0.201 11.673 1.00 53.43 H new ATOM 0 HG SER A 120 -14.666 2.535 11.357 1.00 51.12 H new ATOM 1937 N LYS A 121 -13.873 -1.992 10.275 1.00 63.31 N ATOM 1938 CA LYS A 121 -13.932 -3.373 9.742 1.00 0.43 C ATOM 1939 C LYS A 121 -13.014 -4.322 10.539 1.00 45.13 C ATOM 1940 O LYS A 121 -13.425 -5.427 10.867 1.00 23.53 O ATOM 1941 CB LYS A 121 -13.583 -3.385 8.230 1.00 51.33 C ATOM 1942 CG LYS A 121 -14.651 -2.697 7.353 1.00 64.45 C ATOM 1943 CD LYS A 121 -14.202 -2.493 5.893 1.00 41.33 C ATOM 1944 CE LYS A 121 -15.240 -1.701 5.076 1.00 24.31 C ATOM 1945 NZ LYS A 121 -14.787 -1.464 3.686 1.00 53.14 N ATOM 0 H LYS A 121 -13.438 -1.326 9.637 1.00 63.31 H new ATOM 0 HA LYS A 121 -14.952 -3.740 9.858 1.00 0.43 H new ATOM 0 HB2 LYS A 121 -12.625 -2.887 8.081 1.00 51.33 H new ATOM 0 HB3 LYS A 121 -13.461 -4.417 7.900 1.00 51.33 H new ATOM 0 HG2 LYS A 121 -15.562 -3.296 7.365 1.00 64.45 H new ATOM 0 HG3 LYS A 121 -14.900 -1.729 7.788 1.00 64.45 H new ATOM 0 HD2 LYS A 121 -13.249 -1.965 5.877 1.00 41.33 H new ATOM 0 HD3 LYS A 121 -14.037 -3.464 5.425 1.00 41.33 H new ATOM 0 HE2 LYS A 121 -16.183 -2.247 5.062 1.00 24.31 H new ATOM 0 HE3 LYS A 121 -15.432 -0.745 5.563 1.00 24.31 H new ATOM 0 HZ1 LYS A 121 -15.377 -0.727 3.250 1.00 53.14 H new ATOM 0 HZ2 LYS A 121 -13.794 -1.154 3.692 1.00 53.14 H new ATOM 0 HZ3 LYS A 121 -14.871 -2.344 3.139 1.00 53.14 H new ATOM 1959 N LEU A 122 -11.790 -3.854 10.873 1.00 35.55 N ATOM 1960 CA LEU A 122 -10.819 -4.620 11.709 1.00 74.21 C ATOM 1961 C LEU A 122 -11.370 -4.881 13.134 1.00 43.02 C ATOM 1962 O LEU A 122 -11.095 -5.928 13.733 1.00 3.51 O ATOM 1963 CB LEU A 122 -9.469 -3.857 11.779 1.00 23.00 C ATOM 1964 CG LEU A 122 -8.740 -3.668 10.412 1.00 12.24 C ATOM 1965 CD1 LEU A 122 -7.530 -2.720 10.544 1.00 71.14 C ATOM 1966 CD2 LEU A 122 -8.337 -5.037 9.805 1.00 74.02 C ATOM 0 H LEU A 122 -11.443 -2.942 10.576 1.00 35.55 H new ATOM 0 HA LEU A 122 -10.661 -5.591 11.239 1.00 74.21 H new ATOM 0 HB2 LEU A 122 -9.648 -2.875 12.216 1.00 23.00 H new ATOM 0 HB3 LEU A 122 -8.803 -4.391 12.457 1.00 23.00 H new ATOM 0 HG LEU A 122 -9.439 -3.196 9.721 1.00 12.24 H new ATOM 0 HD11 LEU A 122 -7.046 -2.611 9.574 1.00 71.14 H new ATOM 0 HD12 LEU A 122 -7.869 -1.744 10.892 1.00 71.14 H new ATOM 0 HD13 LEU A 122 -6.820 -3.134 11.259 1.00 71.14 H new ATOM 0 HD21 LEU A 122 -7.831 -4.878 8.853 1.00 74.02 H new ATOM 0 HD22 LEU A 122 -7.667 -5.556 10.490 1.00 74.02 H new ATOM 0 HD23 LEU A 122 -9.230 -5.641 9.645 1.00 74.02 H new ATOM 1978 N ARG A 123 -12.155 -3.913 13.648 1.00 74.31 N ATOM 1979 CA ARG A 123 -12.853 -4.028 14.948 1.00 3.21 C ATOM 1980 C ARG A 123 -13.919 -5.154 14.912 1.00 12.15 C ATOM 1981 O ARG A 123 -13.857 -6.110 15.693 1.00 3.30 O ATOM 1982 CB ARG A 123 -13.521 -2.666 15.310 1.00 41.24 C ATOM 1983 CG ARG A 123 -12.532 -1.501 15.543 1.00 5.33 C ATOM 1984 CD ARG A 123 -13.242 -0.139 15.689 1.00 74.03 C ATOM 1985 NE ARG A 123 -14.152 -0.083 16.849 1.00 65.13 N ATOM 1986 CZ ARG A 123 -14.923 0.941 17.159 1.00 42.31 C ATOM 1987 NH1 ARG A 123 -14.964 2.008 16.422 1.00 5.35 N ATOM 1988 NH2 ARG A 123 -15.658 0.883 18.219 1.00 24.53 N ATOM 0 H ARG A 123 -12.324 -3.026 13.173 1.00 74.31 H new ATOM 0 HA ARG A 123 -12.119 -4.285 15.711 1.00 3.21 H new ATOM 0 HB2 ARG A 123 -14.205 -2.388 14.508 1.00 41.24 H new ATOM 0 HB3 ARG A 123 -14.122 -2.800 16.210 1.00 41.24 H new ATOM 0 HG2 ARG A 123 -11.948 -1.700 16.441 1.00 5.33 H new ATOM 0 HG3 ARG A 123 -11.830 -1.453 14.710 1.00 5.33 H new ATOM 0 HD2 ARG A 123 -12.492 0.647 15.784 1.00 74.03 H new ATOM 0 HD3 ARG A 123 -13.807 0.069 14.781 1.00 74.03 H new ATOM 0 HE ARG A 123 -14.188 -0.900 17.459 1.00 65.13 H new ATOM 0 HH11 ARG A 123 -14.391 2.069 15.580 1.00 5.35 H new ATOM 0 HH12 ARG A 123 -15.569 2.786 16.684 1.00 5.35 H new ATOM 0 HH21 ARG A 123 -15.639 0.050 18.808 1.00 24.53 H new ATOM 0 HH22 ARG A 123 -16.258 1.670 18.467 1.00 24.53 H new ATOM 2002 N ARG A 124 -14.869 -5.045 13.962 1.00 11.32 N ATOM 2003 CA ARG A 124 -16.049 -5.947 13.897 1.00 34.42 C ATOM 2004 C ARG A 124 -15.693 -7.373 13.404 1.00 31.15 C ATOM 2005 O ARG A 124 -16.378 -8.335 13.762 1.00 33.21 O ATOM 2006 CB ARG A 124 -17.161 -5.317 13.017 1.00 12.25 C ATOM 2007 CG ARG A 124 -16.790 -5.110 11.528 1.00 12.04 C ATOM 2008 CD ARG A 124 -17.880 -4.357 10.739 1.00 3.03 C ATOM 2009 NE ARG A 124 -19.171 -5.077 10.727 1.00 70.13 N ATOM 2010 CZ ARG A 124 -20.346 -4.535 10.452 1.00 71.00 C ATOM 2011 NH1 ARG A 124 -20.466 -3.272 10.180 1.00 3.02 N ATOM 2012 NH2 ARG A 124 -21.405 -5.272 10.464 1.00 33.22 N ATOM 0 H ARG A 124 -14.847 -4.341 13.225 1.00 11.32 H new ATOM 0 HA ARG A 124 -16.420 -6.059 14.916 1.00 34.42 H new ATOM 0 HB2 ARG A 124 -18.046 -5.952 13.069 1.00 12.25 H new ATOM 0 HB3 ARG A 124 -17.436 -4.352 13.443 1.00 12.25 H new ATOM 0 HG2 ARG A 124 -15.854 -4.555 11.465 1.00 12.04 H new ATOM 0 HG3 ARG A 124 -16.617 -6.081 11.063 1.00 12.04 H new ATOM 0 HD2 ARG A 124 -18.023 -3.369 11.176 1.00 3.03 H new ATOM 0 HD3 ARG A 124 -17.543 -4.206 9.714 1.00 3.03 H new ATOM 0 HE ARG A 124 -19.154 -6.072 10.949 1.00 70.13 H new ATOM 0 HH11 ARG A 124 -19.642 -2.671 10.175 1.00 3.02 H new ATOM 0 HH12 ARG A 124 -21.384 -2.880 9.971 1.00 3.02 H new ATOM 0 HH21 ARG A 124 -21.333 -6.265 10.684 1.00 33.22 H new ATOM 0 HH22 ARG A 124 -22.315 -4.861 10.253 1.00 33.22 H new ATOM 2026 N THR A 125 -14.623 -7.507 12.582 1.00 63.21 N ATOM 2027 CA THR A 125 -14.171 -8.835 12.082 1.00 0.12 C ATOM 2028 C THR A 125 -13.230 -9.526 13.094 1.00 42.21 C ATOM 2029 O THR A 125 -13.020 -10.744 13.014 1.00 20.24 O ATOM 2030 CB THR A 125 -13.464 -8.757 10.672 1.00 12.40 C ATOM 2031 OG1 THR A 125 -13.388 -10.073 10.094 1.00 14.23 O ATOM 2032 CG2 THR A 125 -12.036 -8.177 10.734 1.00 22.23 C ATOM 0 H THR A 125 -14.060 -6.723 12.252 1.00 63.21 H new ATOM 0 HA THR A 125 -15.077 -9.429 11.964 1.00 0.12 H new ATOM 0 HB THR A 125 -14.071 -8.085 10.065 1.00 12.40 H new ATOM 0 HG1 THR A 125 -12.504 -10.203 9.692 1.00 14.23 H new ATOM 0 HG21 THR A 125 -11.610 -8.152 9.731 1.00 22.23 H new ATOM 0 HG22 THR A 125 -12.071 -7.165 11.139 1.00 22.23 H new ATOM 0 HG23 THR A 125 -11.417 -8.803 11.376 1.00 22.23 H new ATOM 2040 N CYS A 126 -12.632 -8.708 14.004 1.00 74.23 N ATOM 2041 CA CYS A 126 -11.689 -9.147 15.079 1.00 22.51 C ATOM 2042 C CYS A 126 -10.269 -9.511 14.556 1.00 12.21 C ATOM 2043 O CYS A 126 -9.290 -9.416 15.306 1.00 31.25 O ATOM 2044 CB CYS A 126 -12.277 -10.310 15.925 1.00 31.11 C ATOM 2045 SG CYS A 126 -13.920 -9.974 16.601 1.00 1.00 S ATOM 0 H CYS A 126 -12.794 -7.701 14.013 1.00 74.23 H new ATOM 0 HA CYS A 126 -11.567 -8.277 15.724 1.00 22.51 H new ATOM 0 HB2 CYS A 126 -12.327 -11.206 15.306 1.00 31.11 H new ATOM 0 HB3 CYS A 126 -11.595 -10.528 16.747 1.00 31.11 H new ATOM 0 HG CYS A 126 -14.325 -11.001 17.287 1.00 1.00 H new ATOM 2051 N GLY A 127 -10.160 -9.909 13.273 1.00 52.33 N ATOM 2052 CA GLY A 127 -8.880 -10.316 12.673 1.00 1.01 C ATOM 2053 C GLY A 127 -8.868 -10.192 11.147 1.00 72.22 C ATOM 2054 O GLY A 127 -8.755 -9.081 10.609 1.00 50.33 O ATOM 0 H GLY A 127 -10.951 -9.956 12.631 1.00 52.33 H new ATOM 0 HA2 GLY A 127 -8.080 -9.704 13.088 1.00 1.01 H new ATOM 0 HA3 GLY A 127 -8.667 -11.349 12.950 1.00 1.01 H new ATOM 2058 N PHE A 128 -8.995 -11.336 10.451 1.00 40.44 N ATOM 2059 CA PHE A 128 -8.953 -11.402 8.971 1.00 63.32 C ATOM 2060 C PHE A 128 -10.305 -10.974 8.352 1.00 24.13 C ATOM 2061 O PHE A 128 -11.338 -11.603 8.612 1.00 70.13 O ATOM 2062 CB PHE A 128 -8.598 -12.838 8.505 1.00 54.15 C ATOM 2063 CG PHE A 128 -7.290 -13.385 9.084 1.00 21.41 C ATOM 2064 CD1 PHE A 128 -6.055 -13.010 8.549 1.00 51.14 C ATOM 2065 CD2 PHE A 128 -7.292 -14.267 10.170 1.00 62.30 C ATOM 2066 CE1 PHE A 128 -4.872 -13.508 9.068 1.00 32.11 C ATOM 2067 CE2 PHE A 128 -6.109 -14.764 10.686 1.00 74.13 C ATOM 2068 CZ PHE A 128 -4.902 -14.380 10.139 1.00 2.34 C ATOM 0 H PHE A 128 -9.130 -12.244 10.895 1.00 40.44 H new ATOM 0 HA PHE A 128 -8.183 -10.710 8.630 1.00 63.32 H new ATOM 0 HB2 PHE A 128 -9.412 -13.508 8.781 1.00 54.15 H new ATOM 0 HB3 PHE A 128 -8.532 -12.848 7.417 1.00 54.15 H new ATOM 0 HD1 PHE A 128 -6.023 -12.321 7.718 1.00 51.14 H new ATOM 0 HD2 PHE A 128 -8.231 -14.564 10.612 1.00 62.30 H new ATOM 0 HE1 PHE A 128 -3.927 -13.215 8.636 1.00 32.11 H new ATOM 0 HE2 PHE A 128 -6.130 -15.453 11.517 1.00 74.13 H new ATOM 0 HZ PHE A 128 -3.979 -14.762 10.549 1.00 2.34 H new ATOM 2078 N LEU A 129 -10.281 -9.910 7.525 1.00 53.44 N ATOM 2079 CA LEU A 129 -11.479 -9.415 6.797 1.00 41.12 C ATOM 2080 C LEU A 129 -11.907 -10.418 5.672 1.00 4.20 C ATOM 2081 O LEU A 129 -11.149 -11.337 5.339 1.00 0.10 O ATOM 2082 CB LEU A 129 -11.190 -7.992 6.222 1.00 13.22 C ATOM 2083 CG LEU A 129 -12.423 -7.192 5.675 1.00 22.25 C ATOM 2084 CD1 LEU A 129 -13.466 -6.935 6.791 1.00 51.35 C ATOM 2085 CD2 LEU A 129 -11.987 -5.877 4.995 1.00 5.30 C ATOM 0 H LEU A 129 -9.437 -9.368 7.340 1.00 53.44 H new ATOM 0 HA LEU A 129 -12.315 -9.343 7.492 1.00 41.12 H new ATOM 0 HB2 LEU A 129 -10.718 -7.398 7.005 1.00 13.22 H new ATOM 0 HB3 LEU A 129 -10.463 -8.091 5.416 1.00 13.22 H new ATOM 0 HG LEU A 129 -12.902 -7.807 4.913 1.00 22.25 H new ATOM 0 HD11 LEU A 129 -14.309 -6.379 6.380 1.00 51.35 H new ATOM 0 HD12 LEU A 129 -13.818 -7.888 7.186 1.00 51.35 H new ATOM 0 HD13 LEU A 129 -13.006 -6.358 7.593 1.00 51.35 H new ATOM 0 HD21 LEU A 129 -12.867 -5.348 4.628 1.00 5.30 H new ATOM 0 HD22 LEU A 129 -11.462 -5.251 5.717 1.00 5.30 H new ATOM 0 HD23 LEU A 129 -11.324 -6.102 4.160 1.00 5.30 H new ATOM 2097 N GLU A 130 -13.130 -10.222 5.121 1.00 21.43 N ATOM 2098 CA GLU A 130 -13.779 -11.118 4.126 1.00 13.04 C ATOM 2099 C GLU A 130 -12.847 -11.587 2.963 1.00 32.43 C ATOM 2100 O GLU A 130 -12.251 -10.763 2.258 1.00 74.22 O ATOM 2101 CB GLU A 130 -15.015 -10.396 3.516 1.00 61.55 C ATOM 2102 CG GLU A 130 -15.829 -11.246 2.509 1.00 74.33 C ATOM 2103 CD GLU A 130 -16.867 -10.428 1.718 1.00 32.21 C ATOM 2104 OE1 GLU A 130 -16.466 -9.649 0.826 1.00 31.12 O ATOM 2105 OE2 GLU A 130 -18.082 -10.551 1.972 1.00 72.14 O ATOM 0 H GLU A 130 -13.709 -9.417 5.361 1.00 21.43 H new ATOM 0 HA GLU A 130 -14.059 -12.017 4.675 1.00 13.04 H new ATOM 0 HB2 GLU A 130 -15.675 -10.087 4.327 1.00 61.55 H new ATOM 0 HB3 GLU A 130 -14.678 -9.488 3.016 1.00 61.55 H new ATOM 0 HG2 GLU A 130 -15.143 -11.723 1.809 1.00 74.33 H new ATOM 0 HG3 GLU A 130 -16.340 -12.044 3.048 1.00 74.33 H new ATOM 2112 N HIS A 131 -12.735 -12.926 2.803 1.00 21.23 N ATOM 2113 CA HIS A 131 -12.131 -13.573 1.611 1.00 1.22 C ATOM 2114 C HIS A 131 -13.241 -13.838 0.568 1.00 13.41 C ATOM 2115 O HIS A 131 -14.368 -14.178 0.948 1.00 52.25 O ATOM 2116 CB HIS A 131 -11.443 -14.914 1.999 1.00 51.01 C ATOM 2117 CG HIS A 131 -10.231 -14.794 2.893 1.00 15.54 C ATOM 2118 ND1 HIS A 131 -9.171 -15.679 2.833 1.00 40.50 N ATOM 2119 CD2 HIS A 131 -9.920 -13.926 3.887 1.00 44.12 C ATOM 2120 CE1 HIS A 131 -8.276 -15.364 3.744 1.00 10.30 C ATOM 2121 NE2 HIS A 131 -8.704 -14.305 4.398 1.00 52.21 N ATOM 0 H HIS A 131 -13.063 -13.594 3.501 1.00 21.23 H new ATOM 0 HA HIS A 131 -11.374 -12.910 1.192 1.00 1.22 H new ATOM 0 HB2 HIS A 131 -12.177 -15.547 2.497 1.00 51.01 H new ATOM 0 HB3 HIS A 131 -11.147 -15.427 1.084 1.00 51.01 H new ATOM 0 HD2 HIS A 131 -10.519 -13.090 4.216 1.00 44.12 H new ATOM 0 HE1 HIS A 131 -7.348 -15.886 3.925 1.00 10.30 H new ATOM 0 HE2 HIS A 131 -8.212 -13.841 5.161 1.00 52.21 H new ATOM 2130 N HIS A 132 -12.904 -13.700 -0.743 1.00 72.32 N ATOM 2131 CA HIS A 132 -13.884 -13.754 -1.874 1.00 23.33 C ATOM 2132 C HIS A 132 -14.912 -12.580 -1.806 1.00 74.31 C ATOM 2133 O HIS A 132 -15.114 -11.995 -0.738 1.00 61.55 O ATOM 2134 CB HIS A 132 -14.636 -15.115 -1.923 1.00 12.31 C ATOM 2135 CG HIS A 132 -13.745 -16.326 -2.040 1.00 5.10 C ATOM 2136 ND1 HIS A 132 -13.505 -17.198 -0.995 1.00 44.12 N ATOM 2137 CD2 HIS A 132 -13.051 -16.819 -3.095 1.00 1.42 C ATOM 2138 CE1 HIS A 132 -12.706 -18.164 -1.400 1.00 30.10 C ATOM 2139 NE2 HIS A 132 -12.418 -17.959 -2.667 1.00 30.51 N ATOM 0 H HIS A 132 -11.944 -13.548 -1.051 1.00 72.32 H new ATOM 0 HA HIS A 132 -13.302 -13.650 -2.790 1.00 23.33 H new ATOM 0 HB2 HIS A 132 -15.241 -15.212 -1.022 1.00 12.31 H new ATOM 0 HB3 HIS A 132 -15.323 -15.104 -2.769 1.00 12.31 H new ATOM 0 HD2 HIS A 132 -13.005 -16.394 -4.087 1.00 1.42 H new ATOM 0 HE1 HIS A 132 -12.349 -18.984 -0.795 1.00 30.10 H new ATOM 0 HE2 HIS A 132 -11.819 -18.553 -3.240 1.00 30.51 H new ATOM 2148 N HIS A 133 -15.551 -12.253 -2.959 1.00 42.22 N ATOM 2149 CA HIS A 133 -16.579 -11.167 -3.084 1.00 11.54 C ATOM 2150 C HIS A 133 -15.969 -9.723 -3.003 1.00 41.11 C ATOM 2151 O HIS A 133 -16.306 -8.863 -3.824 1.00 14.13 O ATOM 2152 CB HIS A 133 -17.749 -11.366 -2.064 1.00 45.30 C ATOM 2153 CG HIS A 133 -18.745 -10.235 -1.990 1.00 25.30 C ATOM 2154 ND1 HIS A 133 -18.909 -9.460 -0.863 1.00 61.31 N ATOM 2155 CD2 HIS A 133 -19.624 -9.749 -2.899 1.00 24.00 C ATOM 2156 CE1 HIS A 133 -19.830 -8.556 -1.074 1.00 61.31 C ATOM 2157 NE2 HIS A 133 -20.285 -8.702 -2.298 1.00 52.54 N ATOM 0 H HIS A 133 -15.371 -12.735 -3.840 1.00 42.22 H new ATOM 0 HA HIS A 133 -16.995 -11.255 -4.088 1.00 11.54 H new ATOM 0 HB2 HIS A 133 -18.282 -12.280 -2.323 1.00 45.30 H new ATOM 0 HB3 HIS A 133 -17.322 -11.516 -1.073 1.00 45.30 H new ATOM 0 HD1 HIS A 133 -18.389 -9.574 0.007 1.00 61.31 H new ATOM 0 HD2 HIS A 133 -19.777 -10.114 -3.904 1.00 24.00 H new ATOM 0 HE1 HIS A 133 -20.161 -7.814 -0.362 1.00 61.31 H new ATOM 2166 N HIS A 134 -15.116 -9.462 -1.987 1.00 53.22 N ATOM 2167 CA HIS A 134 -14.351 -8.196 -1.822 1.00 73.05 C ATOM 2168 C HIS A 134 -13.257 -8.027 -2.929 1.00 4.44 C ATOM 2169 O HIS A 134 -12.058 -8.120 -2.661 1.00 25.42 O ATOM 2170 CB HIS A 134 -13.733 -8.194 -0.382 1.00 3.42 C ATOM 2171 CG HIS A 134 -12.944 -6.967 0.000 1.00 41.11 C ATOM 2172 ND1 HIS A 134 -11.590 -6.849 -0.230 1.00 54.12 N ATOM 2173 CD2 HIS A 134 -13.311 -5.814 0.607 1.00 2.30 C ATOM 2174 CE1 HIS A 134 -11.163 -5.689 0.214 1.00 4.10 C ATOM 2175 NE2 HIS A 134 -12.183 -5.042 0.726 1.00 72.11 N ATOM 0 H HIS A 134 -14.934 -10.135 -1.243 1.00 53.22 H new ATOM 0 HA HIS A 134 -15.018 -7.342 -1.938 1.00 73.05 H new ATOM 0 HB2 HIS A 134 -14.541 -8.320 0.338 1.00 3.42 H new ATOM 0 HB3 HIS A 134 -13.083 -9.063 -0.287 1.00 3.42 H new ATOM 0 HD1 HIS A 134 -11.007 -7.556 -0.678 1.00 54.12 H new ATOM 0 HD2 HIS A 134 -14.305 -5.551 0.936 1.00 2.30 H new ATOM 0 HE1 HIS A 134 -10.146 -5.329 0.166 1.00 4.10 H new ATOM 2184 N HIS A 135 -13.704 -7.804 -4.184 1.00 14.43 N ATOM 2185 CA HIS A 135 -12.829 -7.586 -5.373 1.00 53.31 C ATOM 2186 C HIS A 135 -13.613 -6.799 -6.447 1.00 23.41 C ATOM 2187 O HIS A 135 -14.492 -7.357 -7.109 1.00 31.05 O ATOM 2188 CB HIS A 135 -12.320 -8.930 -5.987 1.00 71.34 C ATOM 2189 CG HIS A 135 -11.341 -9.681 -5.121 1.00 11.22 C ATOM 2190 ND1 HIS A 135 -11.699 -10.759 -4.340 1.00 43.04 N ATOM 2191 CD2 HIS A 135 -10.027 -9.465 -4.873 1.00 10.20 C ATOM 2192 CE1 HIS A 135 -10.659 -11.168 -3.650 1.00 74.44 C ATOM 2193 NE2 HIS A 135 -9.633 -10.402 -3.954 1.00 15.03 N ATOM 0 H HIS A 135 -14.698 -7.768 -4.411 1.00 14.43 H new ATOM 0 HA HIS A 135 -11.957 -7.022 -5.042 1.00 53.31 H new ATOM 0 HB2 HIS A 135 -13.178 -9.572 -6.185 1.00 71.34 H new ATOM 0 HB3 HIS A 135 -11.850 -8.721 -6.948 1.00 71.34 H new ATOM 0 HD2 HIS A 135 -9.407 -8.699 -5.316 1.00 10.20 H new ATOM 0 HE1 HIS A 135 -10.648 -11.992 -2.952 1.00 74.44 H new ATOM 0 HE2 HIS A 135 -8.694 -10.492 -3.567 1.00 15.03 H new ATOM 2202 N HIS A 136 -13.321 -5.493 -6.590 1.00 44.21 N ATOM 2203 CA HIS A 136 -13.993 -4.612 -7.583 1.00 34.13 C ATOM 2204 C HIS A 136 -12.958 -3.822 -8.405 1.00 62.13 C ATOM 2205 O HIS A 136 -13.263 -3.305 -9.488 1.00 24.21 O ATOM 2206 CB HIS A 136 -14.971 -3.645 -6.865 1.00 10.32 C ATOM 2207 CG HIS A 136 -16.059 -4.341 -6.081 1.00 33.24 C ATOM 2208 ND1 HIS A 136 -16.248 -4.169 -4.728 1.00 31.53 N ATOM 2209 CD2 HIS A 136 -17.017 -5.216 -6.475 1.00 3.22 C ATOM 2210 CE1 HIS A 136 -17.264 -4.905 -4.325 1.00 75.20 C ATOM 2211 NE2 HIS A 136 -17.749 -5.548 -5.361 1.00 43.21 N ATOM 0 H HIS A 136 -12.618 -5.014 -6.027 1.00 44.21 H new ATOM 0 HA HIS A 136 -14.561 -5.239 -8.270 1.00 34.13 H new ATOM 0 HB2 HIS A 136 -14.403 -3.006 -6.189 1.00 10.32 H new ATOM 0 HB3 HIS A 136 -15.432 -2.994 -7.607 1.00 10.32 H new ATOM 0 HD2 HIS A 136 -17.175 -5.584 -7.478 1.00 3.22 H new ATOM 0 HE1 HIS A 136 -17.635 -4.968 -3.313 1.00 75.20 H new ATOM 0 HE2 HIS A 136 -18.541 -6.190 -5.342 1.00 43.21 H new TER 2220 HIS A 136