USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1162 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 143 ASN : amide:sc= -0.39 X(o=-0.38,f=-0.47) USER MOD Set 1.2: A 147 ASN : amide:sc= 0.00798 K(o=-0.38,f=-1) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.0478 K(o=0.048,f=-2.1!) USER MOD Set 2.2: A 144 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 128 SER OG : rot 180:sc= 0.441 USER MOD Set 3.2: A 132 GLN : amide:sc= 0.289 X(o=0.73,f=0.36) USER MOD Set 4.1: A 120 SER OG : rot 32:sc= -0.89! USER MOD Set 4.2: A 122 SER OG : rot 180:sc= -0.0233 USER MOD Set 4.3: A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 108 ASN : amide:sc= -0.558 X(o=-0.56,f=-0.1) USER MOD Set 5.2: A 121 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 104 HIS : no HD1:sc= 0.704 K(o=0.5,f=-6.4!) USER MOD Set 6.2: A 106 THR OG1 : rot -117:sc= 0.264 USER MOD Set 6.3: A 123 THR OG1 : rot -119:sc= -0.463 USER MOD Set 7.1: A 66 MET CE :methyl -147:sc=-0.00529 (180deg=-0.219) USER MOD Set 7.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 8.1: A 15 THR OG1 : rot 180:sc= 0.366 USER MOD Set 8.2: A 117 THR OG1 : rot -97:sc= 0.0783 USER MOD Set 9.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 9.2: A 119 THR OG1 : rot 163:sc= -0.384 USER MOD Single : A 5 LYS NZ :NH3+ 172:sc= 0.245 (180deg=0.213) USER MOD Single : A 6 LYS NZ :NH3+ -148:sc= 0.894 (180deg=0.313) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc=-0.00175 (180deg=-0.134) USER MOD Single : A 8 ASN : amide:sc= 0.385 K(o=0.39,f=-4.1!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.807 USER MOD Single : A 21 ASN : amide:sc= -0.0338 X(o=-0.034,f=-0.27) USER MOD Single : A 22 LYS NZ :NH3+ -144:sc= -0.608 (180deg=-2.34!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -2.33! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.127 F(o=-2.2!,f=-0.13) USER MOD Single : A 38 HIS : +bothHN:sc= 0.343 K(o=0.34,f=-1.4) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0481) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 65:sc= 0.0159 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0965 F(o=-2.6!,f=-0.097) USER MOD Single : A 65 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.037) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 74 TYR OH : rot 77:sc= 0.834 USER MOD Single : A 76 GLN : amide:sc= 0.245 X(o=0.24,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 165:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -160:sc= -0.0131 USER MOD Single : A 92 SER OG : rot -80:sc= 0.65 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= 0.696 (180deg=0.507) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 88:sc= 0.0175 USER MOD Single : A 100 MET CE :methyl -161:sc= -0.0593 (180deg=-0.417) USER MOD Single : A 103 MET CE :methyl -121:sc= -0.259 (180deg=-0.279) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 81:sc= 0.836 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0.232 USER MOD Single : A 131 GLN :FLIP amide:sc= 0 F(o=-3.3!,f=0) USER MOD Single : A 136 MET CE :methyl 161:sc= -0.141 (180deg=-0.611) USER MOD Single : A 140 THR OG1 : rot -4:sc= 0.136 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 ASN : amide:sc= -0.856 X(o=-0.86,f=-1.1) USER MOD Single : A 155 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 34 N ILE A 3 4.842 -16.724 -3.711 1.00 23.31 N ATOM 35 CA ILE A 3 5.430 -15.376 -3.924 1.00 43.12 C ATOM 36 C ILE A 3 6.921 -15.480 -4.337 1.00 75.43 C ATOM 37 O ILE A 3 7.677 -16.290 -3.782 1.00 31.12 O ATOM 38 CB ILE A 3 5.271 -14.469 -2.636 1.00 14.33 C ATOM 39 CG1 ILE A 3 5.793 -15.213 -1.357 1.00 21.44 C ATOM 40 CG2 ILE A 3 3.795 -14.018 -2.466 1.00 54.10 C ATOM 41 CD1 ILE A 3 5.698 -14.419 -0.065 1.00 72.11 C ATOM 0 HA ILE A 3 4.881 -14.903 -4.738 1.00 43.12 H new ATOM 0 HB ILE A 3 5.882 -13.576 -2.767 1.00 14.33 H new ATOM 0 HG12 ILE A 3 5.229 -16.138 -1.239 1.00 21.44 H new ATOM 0 HG13 ILE A 3 6.834 -15.492 -1.518 1.00 21.44 H new ATOM 0 HG21 ILE A 3 3.705 -13.396 -1.576 1.00 54.10 H new ATOM 0 HG22 ILE A 3 3.486 -13.446 -3.341 1.00 54.10 H new ATOM 0 HG23 ILE A 3 3.156 -14.895 -2.362 1.00 54.10 H new ATOM 0 HD11 ILE A 3 6.083 -15.019 0.760 1.00 72.11 H new ATOM 0 HD12 ILE A 3 6.286 -13.506 -0.155 1.00 72.11 H new ATOM 0 HD13 ILE A 3 4.657 -14.162 0.128 1.00 72.11 H new ATOM 53 N GLU A 4 7.333 -14.641 -5.304 1.00 41.53 N ATOM 54 CA GLU A 4 8.717 -14.639 -5.853 1.00 45.43 C ATOM 55 C GLU A 4 9.610 -13.614 -5.104 1.00 43.41 C ATOM 56 O GLU A 4 9.114 -12.626 -4.572 1.00 0.21 O ATOM 57 CB GLU A 4 8.663 -14.328 -7.385 1.00 24.15 C ATOM 58 CG GLU A 4 10.014 -14.000 -8.084 1.00 11.25 C ATOM 59 CD GLU A 4 10.986 -15.192 -8.274 1.00 71.21 C ATOM 60 OE1 GLU A 4 11.492 -15.742 -7.271 1.00 65.13 O ATOM 61 OE2 GLU A 4 11.286 -15.546 -9.431 1.00 23.10 O ATOM 0 H GLU A 4 6.724 -13.944 -5.732 1.00 41.53 H new ATOM 0 HA GLU A 4 9.163 -15.623 -5.706 1.00 45.43 H new ATOM 0 HB2 GLU A 4 8.219 -15.186 -7.890 1.00 24.15 H new ATOM 0 HB3 GLU A 4 7.989 -13.485 -7.537 1.00 24.15 H new ATOM 0 HG2 GLU A 4 9.799 -13.572 -9.063 1.00 11.25 H new ATOM 0 HG3 GLU A 4 10.523 -13.230 -7.504 1.00 11.25 H new ATOM 68 N LYS A 5 10.933 -13.889 -5.028 1.00 41.31 N ATOM 69 CA LYS A 5 11.922 -12.978 -4.408 1.00 53.24 C ATOM 70 C LYS A 5 13.131 -12.733 -5.349 1.00 33.22 C ATOM 71 O LYS A 5 13.729 -13.680 -5.866 1.00 4.14 O ATOM 72 CB LYS A 5 12.441 -13.518 -3.039 1.00 63.23 C ATOM 73 CG LYS A 5 11.353 -13.779 -1.958 1.00 2.24 C ATOM 74 CD LYS A 5 10.669 -15.161 -2.087 1.00 3.24 C ATOM 75 CE LYS A 5 9.598 -15.403 -1.014 1.00 51.31 C ATOM 76 NZ LYS A 5 8.990 -16.753 -1.153 1.00 4.30 N ATOM 0 H LYS A 5 11.344 -14.748 -5.394 1.00 41.31 H new ATOM 0 HA LYS A 5 11.402 -12.036 -4.235 1.00 53.24 H new ATOM 0 HB2 LYS A 5 12.980 -14.449 -3.218 1.00 63.23 H new ATOM 0 HB3 LYS A 5 13.161 -12.805 -2.638 1.00 63.23 H new ATOM 0 HG2 LYS A 5 11.808 -13.699 -0.971 1.00 2.24 H new ATOM 0 HG3 LYS A 5 10.594 -13.000 -2.024 1.00 2.24 H new ATOM 0 HD2 LYS A 5 10.212 -15.244 -3.073 1.00 3.24 H new ATOM 0 HD3 LYS A 5 11.426 -15.942 -2.020 1.00 3.24 H new ATOM 0 HE2 LYS A 5 10.043 -15.302 -0.024 1.00 51.31 H new ATOM 0 HE3 LYS A 5 8.822 -14.642 -1.094 1.00 51.31 H new ATOM 0 HZ1 LYS A 5 8.371 -16.940 -0.339 1.00 4.30 H new ATOM 0 HZ2 LYS A 5 8.431 -16.794 -2.029 1.00 4.30 H new ATOM 0 HZ3 LYS A 5 9.742 -17.470 -1.188 1.00 4.30 H new ATOM 90 N LYS A 6 13.465 -11.444 -5.575 1.00 21.04 N ATOM 91 CA LYS A 6 14.719 -11.025 -6.247 1.00 72.20 C ATOM 92 C LYS A 6 15.615 -10.279 -5.215 1.00 72.33 C ATOM 93 O LYS A 6 15.653 -9.039 -5.186 1.00 63.32 O ATOM 94 CB LYS A 6 14.427 -10.104 -7.475 1.00 30.42 C ATOM 95 CG LYS A 6 13.304 -10.566 -8.427 1.00 41.01 C ATOM 96 CD LYS A 6 13.601 -11.883 -9.161 1.00 4.11 C ATOM 97 CE LYS A 6 12.513 -12.193 -10.202 1.00 72.42 C ATOM 98 NZ LYS A 6 12.745 -13.490 -10.896 1.00 73.23 N ATOM 0 H LYS A 6 12.873 -10.661 -5.297 1.00 21.04 H new ATOM 0 HA LYS A 6 15.234 -11.911 -6.619 1.00 72.20 H new ATOM 0 HB2 LYS A 6 14.174 -9.111 -7.105 1.00 30.42 H new ATOM 0 HB3 LYS A 6 15.346 -10.004 -8.053 1.00 30.42 H new ATOM 0 HG2 LYS A 6 12.383 -10.682 -7.855 1.00 41.01 H new ATOM 0 HG3 LYS A 6 13.125 -9.784 -9.165 1.00 41.01 H new ATOM 0 HD2 LYS A 6 14.572 -11.818 -9.653 1.00 4.11 H new ATOM 0 HD3 LYS A 6 13.663 -12.699 -8.441 1.00 4.11 H new ATOM 0 HE2 LYS A 6 11.540 -12.216 -9.711 1.00 72.42 H new ATOM 0 HE3 LYS A 6 12.480 -11.391 -10.939 1.00 72.42 H new ATOM 0 HZ1 LYS A 6 12.388 -13.431 -11.871 1.00 73.23 H new ATOM 0 HZ2 LYS A 6 13.764 -13.698 -10.912 1.00 73.23 H new ATOM 0 HZ3 LYS A 6 12.245 -14.249 -10.390 1.00 73.23 H new ATOM 112 N LYS A 7 16.304 -11.058 -4.359 1.00 73.15 N ATOM 113 CA LYS A 7 17.172 -10.551 -3.257 1.00 21.03 C ATOM 114 C LYS A 7 16.357 -9.728 -2.207 1.00 53.25 C ATOM 115 O LYS A 7 15.862 -10.285 -1.222 1.00 34.34 O ATOM 116 CB LYS A 7 18.417 -9.738 -3.776 1.00 2.13 C ATOM 117 CG LYS A 7 19.442 -10.514 -4.655 1.00 22.44 C ATOM 118 CD LYS A 7 18.942 -10.793 -6.097 1.00 12.43 C ATOM 119 CE LYS A 7 20.011 -11.438 -6.993 1.00 13.45 C ATOM 120 NZ LYS A 7 21.184 -10.549 -7.184 1.00 61.25 N ATOM 0 H LYS A 7 16.278 -12.077 -4.407 1.00 73.15 H new ATOM 0 HA LYS A 7 17.566 -11.436 -2.757 1.00 21.03 H new ATOM 0 HB2 LYS A 7 18.052 -8.887 -4.350 1.00 2.13 H new ATOM 0 HB3 LYS A 7 18.945 -9.336 -2.911 1.00 2.13 H new ATOM 0 HG2 LYS A 7 20.369 -9.943 -4.706 1.00 22.44 H new ATOM 0 HG3 LYS A 7 19.677 -11.462 -4.172 1.00 22.44 H new ATOM 0 HD2 LYS A 7 18.071 -11.447 -6.053 1.00 12.43 H new ATOM 0 HD3 LYS A 7 18.615 -9.857 -6.549 1.00 12.43 H new ATOM 0 HE2 LYS A 7 20.337 -12.379 -6.549 1.00 13.45 H new ATOM 0 HE3 LYS A 7 19.575 -11.677 -7.963 1.00 13.45 H new ATOM 0 HZ1 LYS A 7 21.784 -10.924 -7.946 1.00 61.25 H new ATOM 0 HZ2 LYS A 7 20.858 -9.594 -7.438 1.00 61.25 H new ATOM 0 HZ3 LYS A 7 21.733 -10.504 -6.302 1.00 61.25 H new ATOM 134 N ASN A 8 16.221 -8.400 -2.433 1.00 72.31 N ATOM 135 CA ASN A 8 15.465 -7.479 -1.540 1.00 51.44 C ATOM 136 C ASN A 8 13.985 -7.365 -1.972 1.00 43.02 C ATOM 137 O ASN A 8 13.113 -6.995 -1.188 1.00 52.51 O ATOM 138 CB ASN A 8 16.126 -6.072 -1.546 1.00 51.04 C ATOM 139 CG ASN A 8 16.118 -5.373 -2.918 1.00 34.40 C ATOM 140 OD1 ASN A 8 16.170 -6.012 -3.968 1.00 55.33 O ATOM 141 ND2 ASN A 8 16.062 -4.060 -2.930 1.00 72.12 N ATOM 0 H ASN A 8 16.632 -7.932 -3.241 1.00 72.31 H new ATOM 0 HA ASN A 8 15.493 -7.891 -0.531 1.00 51.44 H new ATOM 0 HB2 ASN A 8 15.609 -5.438 -0.825 1.00 51.04 H new ATOM 0 HB3 ASN A 8 17.157 -6.167 -1.206 1.00 51.04 H new ATOM 0 HD21 ASN A 8 16.061 -3.558 -3.818 1.00 72.12 H new ATOM 0 HD22 ASN A 8 16.019 -3.543 -2.052 1.00 72.12 H new ATOM 148 N LYS A 9 13.739 -7.671 -3.240 1.00 11.23 N ATOM 149 CA LYS A 9 12.426 -7.555 -3.879 1.00 63.12 C ATOM 150 C LYS A 9 11.525 -8.763 -3.525 1.00 54.51 C ATOM 151 O LYS A 9 11.918 -9.908 -3.711 1.00 10.05 O ATOM 152 CB LYS A 9 12.659 -7.459 -5.399 1.00 22.52 C ATOM 153 CG LYS A 9 11.403 -7.273 -6.273 1.00 3.21 C ATOM 154 CD LYS A 9 11.730 -7.387 -7.785 1.00 31.55 C ATOM 155 CE LYS A 9 12.730 -6.323 -8.282 1.00 12.20 C ATOM 156 NZ LYS A 9 13.081 -6.512 -9.715 1.00 31.55 N ATOM 0 H LYS A 9 14.462 -8.016 -3.871 1.00 11.23 H new ATOM 0 HA LYS A 9 11.907 -6.666 -3.520 1.00 63.12 H new ATOM 0 HB2 LYS A 9 13.335 -6.625 -5.589 1.00 22.52 H new ATOM 0 HB3 LYS A 9 13.171 -8.365 -5.724 1.00 22.52 H new ATOM 0 HG2 LYS A 9 10.659 -8.023 -6.005 1.00 3.21 H new ATOM 0 HG3 LYS A 9 10.960 -6.298 -6.070 1.00 3.21 H new ATOM 0 HD2 LYS A 9 12.137 -8.378 -7.987 1.00 31.55 H new ATOM 0 HD3 LYS A 9 10.806 -7.300 -8.356 1.00 31.55 H new ATOM 0 HE2 LYS A 9 12.302 -5.330 -8.142 1.00 12.20 H new ATOM 0 HE3 LYS A 9 13.636 -6.368 -7.678 1.00 12.20 H new ATOM 0 HZ1 LYS A 9 13.755 -5.776 -10.007 1.00 31.55 H new ATOM 0 HZ2 LYS A 9 13.513 -7.449 -9.846 1.00 31.55 H new ATOM 0 HZ3 LYS A 9 12.221 -6.444 -10.295 1.00 31.55 H new ATOM 170 N ILE A 10 10.325 -8.489 -2.993 1.00 41.25 N ATOM 171 CA ILE A 10 9.286 -9.506 -2.738 1.00 31.54 C ATOM 172 C ILE A 10 8.057 -9.193 -3.620 1.00 61.45 C ATOM 173 O ILE A 10 7.410 -8.147 -3.471 1.00 3.24 O ATOM 174 CB ILE A 10 8.867 -9.571 -1.215 1.00 61.52 C ATOM 175 CG1 ILE A 10 10.104 -9.926 -0.315 1.00 34.33 C ATOM 176 CG2 ILE A 10 7.714 -10.592 -0.986 1.00 34.11 C ATOM 177 CD1 ILE A 10 9.815 -9.986 1.180 1.00 1.10 C ATOM 0 H ILE A 10 10.042 -7.547 -2.724 1.00 41.25 H new ATOM 0 HA ILE A 10 9.696 -10.484 -2.991 1.00 31.54 H new ATOM 0 HB ILE A 10 8.501 -8.585 -0.930 1.00 61.52 H new ATOM 0 HG12 ILE A 10 10.501 -10.890 -0.632 1.00 34.33 H new ATOM 0 HG13 ILE A 10 10.886 -9.187 -0.490 1.00 34.33 H new ATOM 0 HG21 ILE A 10 7.450 -10.612 0.071 1.00 34.11 H new ATOM 0 HG22 ILE A 10 6.844 -10.295 -1.571 1.00 34.11 H new ATOM 0 HG23 ILE A 10 8.040 -11.584 -1.297 1.00 34.11 H new ATOM 0 HD11 ILE A 10 10.729 -10.238 1.717 1.00 1.10 H new ATOM 0 HD12 ILE A 10 9.450 -9.017 1.519 1.00 1.10 H new ATOM 0 HD13 ILE A 10 9.059 -10.747 1.374 1.00 1.10 H new ATOM 189 N ILE A 11 7.795 -10.092 -4.573 1.00 30.34 N ATOM 190 CA ILE A 11 6.653 -10.017 -5.494 1.00 14.24 C ATOM 191 C ILE A 11 5.367 -10.521 -4.791 1.00 62.42 C ATOM 192 O ILE A 11 5.201 -11.729 -4.571 1.00 51.43 O ATOM 193 CB ILE A 11 6.946 -10.891 -6.777 1.00 4.33 C ATOM 194 CG1 ILE A 11 8.287 -10.458 -7.458 1.00 4.15 C ATOM 195 CG2 ILE A 11 5.776 -10.861 -7.789 1.00 55.33 C ATOM 196 CD1 ILE A 11 8.315 -9.030 -7.975 1.00 14.12 C ATOM 0 H ILE A 11 8.383 -10.911 -4.731 1.00 30.34 H new ATOM 0 HA ILE A 11 6.504 -8.980 -5.794 1.00 14.24 H new ATOM 0 HB ILE A 11 7.049 -11.923 -6.440 1.00 4.33 H new ATOM 0 HG12 ILE A 11 9.098 -10.584 -6.741 1.00 4.15 H new ATOM 0 HG13 ILE A 11 8.489 -11.133 -8.290 1.00 4.15 H new ATOM 0 HG21 ILE A 11 6.026 -11.477 -8.653 1.00 55.33 H new ATOM 0 HG22 ILE A 11 4.875 -11.250 -7.315 1.00 55.33 H new ATOM 0 HG23 ILE A 11 5.601 -9.835 -8.113 1.00 55.33 H new ATOM 0 HD11 ILE A 11 9.285 -8.826 -8.429 1.00 14.12 H new ATOM 0 HD12 ILE A 11 7.531 -8.897 -8.720 1.00 14.12 H new ATOM 0 HD13 ILE A 11 8.150 -8.340 -7.147 1.00 14.12 H new ATOM 208 N PHE A 12 4.476 -9.587 -4.435 1.00 32.02 N ATOM 209 CA PHE A 12 3.196 -9.895 -3.766 1.00 23.34 C ATOM 210 C PHE A 12 2.019 -9.641 -4.736 1.00 54.01 C ATOM 211 O PHE A 12 1.762 -8.500 -5.104 1.00 45.34 O ATOM 212 CB PHE A 12 3.032 -9.015 -2.494 1.00 51.13 C ATOM 213 CG PHE A 12 1.920 -9.490 -1.566 1.00 53.55 C ATOM 214 CD1 PHE A 12 2.157 -10.505 -0.644 1.00 1.10 C ATOM 215 CD2 PHE A 12 0.639 -8.948 -1.634 1.00 5.32 C ATOM 216 CE1 PHE A 12 1.151 -10.954 0.180 1.00 73.55 C ATOM 217 CE2 PHE A 12 -0.364 -9.405 -0.812 1.00 62.44 C ATOM 218 CZ PHE A 12 -0.111 -10.407 0.099 1.00 62.32 C ATOM 0 H PHE A 12 4.619 -8.591 -4.602 1.00 32.02 H new ATOM 0 HA PHE A 12 3.196 -10.945 -3.472 1.00 23.34 H new ATOM 0 HB2 PHE A 12 3.973 -9.005 -1.945 1.00 51.13 H new ATOM 0 HB3 PHE A 12 2.828 -7.988 -2.796 1.00 51.13 H new ATOM 0 HD1 PHE A 12 3.141 -10.945 -0.575 1.00 1.10 H new ATOM 0 HD2 PHE A 12 0.431 -8.159 -2.341 1.00 5.32 H new ATOM 0 HE1 PHE A 12 1.351 -11.739 0.894 1.00 73.55 H new ATOM 0 HE2 PHE A 12 -1.353 -8.977 -0.881 1.00 62.44 H new ATOM 0 HZ PHE A 12 -0.899 -10.762 0.747 1.00 62.32 H new ATOM 228 N THR A 13 1.308 -10.702 -5.137 1.00 0.31 N ATOM 229 CA THR A 13 0.119 -10.600 -6.028 1.00 0.43 C ATOM 230 C THR A 13 -1.173 -10.949 -5.249 1.00 13.03 C ATOM 231 O THR A 13 -1.181 -11.899 -4.450 1.00 53.42 O ATOM 232 CB THR A 13 0.275 -11.520 -7.294 1.00 71.12 C ATOM 233 OG1 THR A 13 -0.921 -11.484 -8.096 1.00 44.34 O ATOM 234 CG2 THR A 13 0.629 -12.982 -6.934 1.00 65.14 C ATOM 0 H THR A 13 1.530 -11.658 -4.860 1.00 0.31 H new ATOM 0 HA THR A 13 0.045 -9.570 -6.375 1.00 0.43 H new ATOM 0 HB THR A 13 1.111 -11.120 -7.868 1.00 71.12 H new ATOM 0 HG1 THR A 13 -0.806 -12.060 -8.880 1.00 44.34 H new ATOM 0 HG21 THR A 13 0.724 -13.569 -7.848 1.00 65.14 H new ATOM 0 HG22 THR A 13 1.573 -13.004 -6.389 1.00 65.14 H new ATOM 0 HG23 THR A 13 -0.160 -13.405 -6.311 1.00 65.14 H new ATOM 242 N ARG A 14 -2.256 -10.159 -5.454 1.00 70.13 N ATOM 243 CA ARG A 14 -3.551 -10.371 -4.750 1.00 72.41 C ATOM 244 C ARG A 14 -4.750 -9.977 -5.652 1.00 12.14 C ATOM 245 O ARG A 14 -4.638 -9.070 -6.487 1.00 62.20 O ATOM 246 CB ARG A 14 -3.596 -9.579 -3.389 1.00 21.31 C ATOM 247 CG ARG A 14 -4.152 -10.397 -2.192 1.00 62.22 C ATOM 248 CD ARG A 14 -3.230 -11.585 -1.860 1.00 41.03 C ATOM 249 NE ARG A 14 -3.724 -12.444 -0.779 1.00 70.41 N ATOM 250 CZ ARG A 14 -3.023 -13.404 -0.206 1.00 21.05 C ATOM 251 NH1 ARG A 14 -1.774 -13.599 -0.510 1.00 65.20 N ATOM 252 NH2 ARG A 14 -3.569 -14.154 0.689 1.00 1.12 N ATOM 0 H ARG A 14 -2.261 -9.370 -6.100 1.00 70.13 H new ATOM 0 HA ARG A 14 -3.632 -11.434 -4.525 1.00 72.41 H new ATOM 0 HB2 ARG A 14 -2.589 -9.240 -3.146 1.00 21.31 H new ATOM 0 HB3 ARG A 14 -4.209 -8.688 -3.521 1.00 21.31 H new ATOM 0 HG2 ARG A 14 -4.248 -9.751 -1.319 1.00 62.22 H new ATOM 0 HG3 ARG A 14 -5.151 -10.763 -2.429 1.00 62.22 H new ATOM 0 HD2 ARG A 14 -3.097 -12.189 -2.757 1.00 41.03 H new ATOM 0 HD3 ARG A 14 -2.247 -11.202 -1.585 1.00 41.03 H new ATOM 0 HE ARG A 14 -4.676 -12.289 -0.447 1.00 70.41 H new ATOM 0 HH11 ARG A 14 -1.319 -13.004 -1.203 1.00 65.20 H new ATOM 0 HH12 ARG A 14 -1.249 -14.346 -0.056 1.00 65.20 H new ATOM 0 HH21 ARG A 14 -4.543 -14.005 0.954 1.00 1.12 H new ATOM 0 HH22 ARG A 14 -3.027 -14.896 1.132 1.00 1.12 H new ATOM 266 N THR A 15 -5.902 -10.651 -5.447 1.00 15.24 N ATOM 267 CA THR A 15 -7.107 -10.494 -6.298 1.00 33.03 C ATOM 268 C THR A 15 -8.340 -10.070 -5.443 1.00 53.02 C ATOM 269 O THR A 15 -8.861 -10.863 -4.650 1.00 74.05 O ATOM 270 CB THR A 15 -7.405 -11.833 -7.066 1.00 54.11 C ATOM 271 OG1 THR A 15 -6.222 -12.284 -7.752 1.00 13.14 O ATOM 272 CG2 THR A 15 -8.541 -11.679 -8.088 1.00 54.11 C ATOM 0 H THR A 15 -6.025 -11.320 -4.687 1.00 15.24 H new ATOM 0 HA THR A 15 -6.914 -9.706 -7.026 1.00 33.03 H new ATOM 0 HB THR A 15 -7.715 -12.563 -6.319 1.00 54.11 H new ATOM 0 HG1 THR A 15 -6.417 -13.119 -8.226 1.00 13.14 H new ATOM 0 HG21 THR A 15 -8.709 -12.631 -8.592 1.00 54.11 H new ATOM 0 HG22 THR A 15 -9.453 -11.375 -7.575 1.00 54.11 H new ATOM 0 HG23 THR A 15 -8.269 -10.922 -8.824 1.00 54.11 H new ATOM 280 N PHE A 16 -8.802 -8.815 -5.628 1.00 12.23 N ATOM 281 CA PHE A 16 -9.902 -8.196 -4.832 1.00 72.31 C ATOM 282 C PHE A 16 -11.218 -8.158 -5.639 1.00 44.33 C ATOM 283 O PHE A 16 -11.204 -7.875 -6.844 1.00 21.04 O ATOM 284 CB PHE A 16 -9.506 -6.753 -4.417 1.00 71.43 C ATOM 285 CG PHE A 16 -8.136 -6.674 -3.745 1.00 41.24 C ATOM 286 CD1 PHE A 16 -7.971 -7.078 -2.420 1.00 62.41 C ATOM 287 CD2 PHE A 16 -7.011 -6.227 -4.446 1.00 63.33 C ATOM 288 CE1 PHE A 16 -6.730 -7.030 -1.818 1.00 52.24 C ATOM 289 CE2 PHE A 16 -5.772 -6.182 -3.841 1.00 73.14 C ATOM 290 CZ PHE A 16 -5.633 -6.581 -2.528 1.00 53.34 C ATOM 0 H PHE A 16 -8.423 -8.190 -6.340 1.00 12.23 H new ATOM 0 HA PHE A 16 -10.060 -8.805 -3.942 1.00 72.31 H new ATOM 0 HB2 PHE A 16 -9.507 -6.115 -5.300 1.00 71.43 H new ATOM 0 HB3 PHE A 16 -10.260 -6.358 -3.737 1.00 71.43 H new ATOM 0 HD1 PHE A 16 -8.823 -7.432 -1.859 1.00 62.41 H new ATOM 0 HD2 PHE A 16 -7.114 -5.913 -5.474 1.00 63.33 H new ATOM 0 HE1 PHE A 16 -6.616 -7.344 -0.791 1.00 52.24 H new ATOM 0 HE2 PHE A 16 -4.912 -5.835 -4.395 1.00 73.14 H new ATOM 0 HZ PHE A 16 -4.664 -6.542 -2.053 1.00 53.34 H new ATOM 300 N SER A 17 -12.355 -8.419 -4.962 1.00 4.53 N ATOM 301 CA SER A 17 -13.692 -8.426 -5.604 1.00 52.13 C ATOM 302 C SER A 17 -14.219 -6.979 -5.742 1.00 40.45 C ATOM 303 O SER A 17 -14.848 -6.451 -4.811 1.00 15.34 O ATOM 304 CB SER A 17 -14.689 -9.268 -4.761 1.00 72.32 C ATOM 305 OG SER A 17 -14.131 -10.516 -4.393 1.00 24.54 O ATOM 0 H SER A 17 -12.377 -8.629 -3.964 1.00 4.53 H new ATOM 0 HA SER A 17 -13.601 -8.872 -6.595 1.00 52.13 H new ATOM 0 HB2 SER A 17 -14.968 -8.714 -3.865 1.00 72.32 H new ATOM 0 HB3 SER A 17 -15.603 -9.431 -5.332 1.00 72.32 H new ATOM 0 HG SER A 17 -14.782 -11.021 -3.862 1.00 24.54 H new ATOM 311 N ALA A 18 -13.957 -6.369 -6.918 1.00 14.11 N ATOM 312 CA ALA A 18 -14.331 -4.970 -7.237 1.00 64.52 C ATOM 313 C ALA A 18 -13.764 -4.534 -8.622 1.00 23.44 C ATOM 314 O ALA A 18 -12.763 -5.098 -9.085 1.00 23.12 O ATOM 315 CB ALA A 18 -13.837 -3.983 -6.156 1.00 61.02 C ATOM 0 H ALA A 18 -13.474 -6.839 -7.684 1.00 14.11 H new ATOM 0 HA ALA A 18 -15.420 -4.941 -7.268 1.00 64.52 H new ATOM 0 HB1 ALA A 18 -14.131 -2.969 -6.427 1.00 61.02 H new ATOM 0 HB2 ALA A 18 -14.280 -4.245 -5.195 1.00 61.02 H new ATOM 0 HB3 ALA A 18 -12.751 -4.038 -6.082 1.00 61.02 H new ATOM 321 N PRO A 19 -14.413 -3.526 -9.297 1.00 5.31 N ATOM 322 CA PRO A 19 -13.859 -2.827 -10.509 1.00 22.15 C ATOM 323 C PRO A 19 -12.474 -2.137 -10.273 1.00 53.03 C ATOM 324 O PRO A 19 -12.236 -1.573 -9.202 1.00 3.12 O ATOM 325 CB PRO A 19 -14.956 -1.764 -10.823 1.00 40.24 C ATOM 326 CG PRO A 19 -15.729 -1.636 -9.539 1.00 32.21 C ATOM 327 CD PRO A 19 -15.776 -3.020 -8.977 1.00 45.24 C ATOM 0 HA PRO A 19 -13.659 -3.531 -11.317 1.00 22.15 H new ATOM 0 HB2 PRO A 19 -14.514 -0.812 -11.118 1.00 40.24 H new ATOM 0 HB3 PRO A 19 -15.598 -2.085 -11.643 1.00 40.24 H new ATOM 0 HG2 PRO A 19 -15.240 -0.947 -8.851 1.00 32.21 H new ATOM 0 HG3 PRO A 19 -16.732 -1.249 -9.719 1.00 32.21 H new ATOM 0 HD2 PRO A 19 -15.970 -3.019 -7.904 1.00 45.24 H new ATOM 0 HD3 PRO A 19 -16.556 -3.624 -9.442 1.00 45.24 H new ATOM 335 N ILE A 20 -11.610 -2.147 -11.325 1.00 21.23 N ATOM 336 CA ILE A 20 -10.196 -1.640 -11.274 1.00 51.14 C ATOM 337 C ILE A 20 -10.077 -0.174 -10.751 1.00 65.32 C ATOM 338 O ILE A 20 -9.195 0.126 -9.951 1.00 53.15 O ATOM 339 CB ILE A 20 -9.491 -1.766 -12.696 1.00 60.21 C ATOM 340 CG1 ILE A 20 -8.008 -1.246 -12.689 1.00 52.32 C ATOM 341 CG2 ILE A 20 -10.301 -1.034 -13.793 1.00 14.20 C ATOM 342 CD1 ILE A 20 -7.067 -1.964 -11.738 1.00 20.14 C ATOM 0 H ILE A 20 -11.870 -2.509 -12.243 1.00 21.23 H new ATOM 0 HA ILE A 20 -9.683 -2.276 -10.553 1.00 51.14 H new ATOM 0 HB ILE A 20 -9.464 -2.832 -12.924 1.00 60.21 H new ATOM 0 HG12 ILE A 20 -7.608 -1.329 -13.699 1.00 52.32 H new ATOM 0 HG13 ILE A 20 -8.014 -0.186 -12.435 1.00 52.32 H new ATOM 0 HG21 ILE A 20 -9.793 -1.139 -14.752 1.00 14.20 H new ATOM 0 HG22 ILE A 20 -11.298 -1.470 -13.861 1.00 14.20 H new ATOM 0 HG23 ILE A 20 -10.384 0.023 -13.540 1.00 14.20 H new ATOM 0 HD11 ILE A 20 -6.071 -1.527 -11.813 1.00 20.14 H new ATOM 0 HD12 ILE A 20 -7.433 -1.860 -10.717 1.00 20.14 H new ATOM 0 HD13 ILE A 20 -7.020 -3.021 -12.001 1.00 20.14 H new ATOM 354 N ASN A 21 -10.995 0.700 -11.187 1.00 64.34 N ATOM 355 CA ASN A 21 -10.977 2.155 -10.868 1.00 74.10 C ATOM 356 C ASN A 21 -11.323 2.395 -9.381 1.00 74.41 C ATOM 357 O ASN A 21 -10.676 3.179 -8.688 1.00 30.43 O ATOM 358 CB ASN A 21 -11.989 2.905 -11.771 1.00 62.41 C ATOM 359 CG ASN A 21 -11.737 2.658 -13.259 1.00 4.55 C ATOM 360 OD1 ASN A 21 -12.272 1.724 -13.846 1.00 31.40 O ATOM 361 ND2 ASN A 21 -10.918 3.481 -13.878 1.00 30.10 N ATOM 0 H ASN A 21 -11.781 0.426 -11.776 1.00 64.34 H new ATOM 0 HA ASN A 21 -9.973 2.536 -11.055 1.00 74.10 H new ATOM 0 HB2 ASN A 21 -13.001 2.588 -11.519 1.00 62.41 H new ATOM 0 HB3 ASN A 21 -11.930 3.974 -11.568 1.00 62.41 H new ATOM 0 HD21 ASN A 21 -10.716 3.349 -14.869 1.00 30.10 H new ATOM 0 HD22 ASN A 21 -10.486 4.251 -13.367 1.00 30.10 H new ATOM 368 N LYS A 22 -12.345 1.664 -8.924 1.00 71.12 N ATOM 369 CA LYS A 22 -12.858 1.694 -7.536 1.00 1.25 C ATOM 370 C LYS A 22 -11.802 1.155 -6.527 1.00 40.13 C ATOM 371 O LYS A 22 -11.698 1.641 -5.397 1.00 14.24 O ATOM 372 CB LYS A 22 -14.198 0.889 -7.529 1.00 63.22 C ATOM 373 CG LYS A 22 -14.767 0.422 -6.171 1.00 1.21 C ATOM 374 CD LYS A 22 -15.043 1.556 -5.138 1.00 21.11 C ATOM 375 CE LYS A 22 -16.309 2.395 -5.441 1.00 50.04 C ATOM 376 NZ LYS A 22 -16.228 3.171 -6.707 1.00 53.13 N ATOM 0 H LYS A 22 -12.858 1.014 -9.520 1.00 71.12 H new ATOM 0 HA LYS A 22 -13.052 2.714 -7.206 1.00 1.25 H new ATOM 0 HB2 LYS A 22 -14.957 1.503 -8.013 1.00 63.22 H new ATOM 0 HB3 LYS A 22 -14.058 0.006 -8.152 1.00 63.22 H new ATOM 0 HG2 LYS A 22 -15.697 -0.116 -6.352 1.00 1.21 H new ATOM 0 HG3 LYS A 22 -14.069 -0.288 -5.728 1.00 1.21 H new ATOM 0 HD2 LYS A 22 -15.143 1.113 -4.147 1.00 21.11 H new ATOM 0 HD3 LYS A 22 -14.180 2.220 -5.105 1.00 21.11 H new ATOM 0 HE2 LYS A 22 -17.171 1.730 -5.488 1.00 50.04 H new ATOM 0 HE3 LYS A 22 -16.483 3.084 -4.614 1.00 50.04 H new ATOM 0 HZ1 LYS A 22 -16.711 4.084 -6.586 1.00 53.13 H new ATOM 0 HZ2 LYS A 22 -15.230 3.336 -6.950 1.00 53.13 H new ATOM 0 HZ3 LYS A 22 -16.686 2.636 -7.472 1.00 53.13 H new ATOM 390 N VAL A 23 -11.017 0.160 -6.972 1.00 0.34 N ATOM 391 CA VAL A 23 -9.853 -0.369 -6.216 1.00 53.21 C ATOM 392 C VAL A 23 -8.682 0.652 -6.204 1.00 14.30 C ATOM 393 O VAL A 23 -8.023 0.864 -5.179 1.00 65.53 O ATOM 394 CB VAL A 23 -9.365 -1.719 -6.861 1.00 3.15 C ATOM 395 CG1 VAL A 23 -8.094 -2.281 -6.163 1.00 72.21 C ATOM 396 CG2 VAL A 23 -10.495 -2.768 -6.857 1.00 71.32 C ATOM 0 H VAL A 23 -11.166 -0.306 -7.867 1.00 0.34 H new ATOM 0 HA VAL A 23 -10.169 -0.544 -5.188 1.00 53.21 H new ATOM 0 HB VAL A 23 -9.094 -1.499 -7.894 1.00 3.15 H new ATOM 0 HG11 VAL A 23 -7.797 -3.213 -6.644 1.00 72.21 H new ATOM 0 HG12 VAL A 23 -7.284 -1.556 -6.244 1.00 72.21 H new ATOM 0 HG13 VAL A 23 -8.309 -2.468 -5.111 1.00 72.21 H new ATOM 0 HG21 VAL A 23 -10.135 -3.693 -7.308 1.00 71.32 H new ATOM 0 HG22 VAL A 23 -10.808 -2.962 -5.831 1.00 71.32 H new ATOM 0 HG23 VAL A 23 -11.343 -2.392 -7.430 1.00 71.32 H new ATOM 406 N PHE A 24 -8.457 1.270 -7.371 1.00 21.11 N ATOM 407 CA PHE A 24 -7.352 2.222 -7.616 1.00 53.30 C ATOM 408 C PHE A 24 -7.471 3.507 -6.759 1.00 25.31 C ATOM 409 O PHE A 24 -6.453 4.062 -6.320 1.00 13.11 O ATOM 410 CB PHE A 24 -7.321 2.571 -9.124 1.00 4.00 C ATOM 411 CG PHE A 24 -6.280 3.616 -9.535 1.00 53.10 C ATOM 412 CD1 PHE A 24 -4.916 3.329 -9.480 1.00 32.13 C ATOM 413 CD2 PHE A 24 -6.672 4.877 -9.991 1.00 53.03 C ATOM 414 CE1 PHE A 24 -3.983 4.271 -9.868 1.00 43.22 C ATOM 415 CE2 PHE A 24 -5.737 5.811 -10.380 1.00 62.21 C ATOM 416 CZ PHE A 24 -4.392 5.509 -10.320 1.00 64.03 C ATOM 0 H PHE A 24 -9.046 1.123 -8.191 1.00 21.11 H new ATOM 0 HA PHE A 24 -6.418 1.744 -7.320 1.00 53.30 H new ATOM 0 HB2 PHE A 24 -7.135 1.657 -9.687 1.00 4.00 H new ATOM 0 HB3 PHE A 24 -8.307 2.931 -9.417 1.00 4.00 H new ATOM 0 HD1 PHE A 24 -4.586 2.362 -9.131 1.00 32.13 H new ATOM 0 HD2 PHE A 24 -7.723 5.123 -10.039 1.00 53.03 H new ATOM 0 HE1 PHE A 24 -2.930 4.038 -9.817 1.00 43.22 H new ATOM 0 HE2 PHE A 24 -6.057 6.780 -10.732 1.00 62.21 H new ATOM 0 HZ PHE A 24 -3.660 6.241 -10.627 1.00 64.03 H new ATOM 426 N ASP A 25 -8.712 3.974 -6.529 1.00 74.12 N ATOM 427 CA ASP A 25 -8.969 5.179 -5.706 1.00 11.13 C ATOM 428 C ASP A 25 -8.700 4.951 -4.198 1.00 23.12 C ATOM 429 O ASP A 25 -8.678 5.901 -3.423 1.00 13.11 O ATOM 430 CB ASP A 25 -10.396 5.720 -5.949 1.00 40.42 C ATOM 431 CG ASP A 25 -10.608 6.206 -7.398 1.00 0.42 C ATOM 432 OD1 ASP A 25 -9.743 6.953 -7.920 1.00 61.04 O ATOM 433 OD2 ASP A 25 -11.632 5.857 -8.016 1.00 73.24 O ATOM 0 H ASP A 25 -9.556 3.537 -6.900 1.00 74.12 H new ATOM 0 HA ASP A 25 -8.254 5.936 -6.030 1.00 11.13 H new ATOM 0 HB2 ASP A 25 -11.121 4.938 -5.722 1.00 40.42 H new ATOM 0 HB3 ASP A 25 -10.590 6.543 -5.262 1.00 40.42 H new ATOM 438 N ALA A 26 -8.498 3.689 -3.791 1.00 43.32 N ATOM 439 CA ALA A 26 -8.024 3.351 -2.427 1.00 10.22 C ATOM 440 C ALA A 26 -6.512 3.658 -2.259 1.00 50.31 C ATOM 441 O ALA A 26 -6.010 3.759 -1.137 1.00 30.40 O ATOM 442 CB ALA A 26 -8.329 1.880 -2.118 1.00 3.52 C ATOM 0 H ALA A 26 -8.655 2.876 -4.387 1.00 43.32 H new ATOM 0 HA ALA A 26 -8.558 3.976 -1.712 1.00 10.22 H new ATOM 0 HB1 ALA A 26 -7.978 1.639 -1.115 1.00 3.52 H new ATOM 0 HB2 ALA A 26 -9.404 1.711 -2.177 1.00 3.52 H new ATOM 0 HB3 ALA A 26 -7.822 1.243 -2.843 1.00 3.52 H new ATOM 448 N TYR A 27 -5.804 3.786 -3.398 1.00 54.04 N ATOM 449 CA TYR A 27 -4.366 4.147 -3.451 1.00 4.30 C ATOM 450 C TYR A 27 -4.155 5.633 -3.844 1.00 72.24 C ATOM 451 O TYR A 27 -3.025 6.126 -3.789 1.00 12.24 O ATOM 452 CB TYR A 27 -3.637 3.215 -4.461 1.00 51.21 C ATOM 453 CG TYR A 27 -3.658 1.726 -4.061 1.00 14.00 C ATOM 454 CD1 TYR A 27 -2.706 1.204 -3.178 1.00 22.43 C ATOM 455 CD2 TYR A 27 -4.630 0.844 -4.558 1.00 71.41 C ATOM 456 CE1 TYR A 27 -2.718 -0.130 -2.810 1.00 2.13 C ATOM 457 CE2 TYR A 27 -4.643 -0.493 -4.188 1.00 22.31 C ATOM 458 CZ TYR A 27 -3.684 -0.972 -3.316 1.00 11.13 C ATOM 459 OH TYR A 27 -3.688 -2.302 -2.948 1.00 44.02 O ATOM 0 H TYR A 27 -6.215 3.641 -4.320 1.00 54.04 H new ATOM 0 HA TYR A 27 -3.946 4.014 -2.454 1.00 4.30 H new ATOM 0 HB2 TYR A 27 -4.100 3.325 -5.442 1.00 51.21 H new ATOM 0 HB3 TYR A 27 -2.601 3.541 -4.559 1.00 51.21 H new ATOM 0 HD1 TYR A 27 -1.945 1.856 -2.775 1.00 22.43 H new ATOM 0 HD2 TYR A 27 -5.381 1.213 -5.241 1.00 71.41 H new ATOM 0 HE1 TYR A 27 -1.972 -0.510 -2.128 1.00 2.13 H new ATOM 0 HE2 TYR A 27 -5.400 -1.157 -4.580 1.00 22.31 H new ATOM 0 HH TYR A 27 -4.433 -2.761 -3.390 1.00 44.02 H new ATOM 469 N THR A 28 -5.238 6.337 -4.261 1.00 25.22 N ATOM 470 CA THR A 28 -5.164 7.778 -4.657 1.00 51.42 C ATOM 471 C THR A 28 -5.929 8.713 -3.704 1.00 40.33 C ATOM 472 O THR A 28 -5.623 9.912 -3.624 1.00 42.31 O ATOM 473 CB THR A 28 -5.723 8.024 -6.096 1.00 70.43 C ATOM 474 OG1 THR A 28 -7.088 7.612 -6.171 1.00 53.21 O ATOM 475 CG2 THR A 28 -4.890 7.302 -7.172 1.00 50.10 C ATOM 0 H THR A 28 -6.173 5.937 -4.334 1.00 25.22 H new ATOM 0 HA THR A 28 -4.100 8.011 -4.614 1.00 51.42 H new ATOM 0 HB THR A 28 -5.656 9.094 -6.294 1.00 70.43 H new ATOM 0 HG1 THR A 28 -7.429 7.772 -7.076 1.00 53.21 H new ATOM 0 HG21 THR A 28 -5.315 7.501 -8.156 1.00 50.10 H new ATOM 0 HG22 THR A 28 -3.862 7.664 -7.141 1.00 50.10 H new ATOM 0 HG23 THR A 28 -4.902 6.229 -6.982 1.00 50.10 H new ATOM 483 N LYS A 29 -6.927 8.173 -2.995 1.00 23.12 N ATOM 484 CA LYS A 29 -7.858 8.977 -2.171 1.00 4.15 C ATOM 485 C LYS A 29 -7.896 8.459 -0.722 1.00 11.04 C ATOM 486 O LYS A 29 -8.155 7.271 -0.479 1.00 74.35 O ATOM 487 CB LYS A 29 -9.278 8.948 -2.812 1.00 32.02 C ATOM 488 CG LYS A 29 -9.359 9.562 -4.227 1.00 73.40 C ATOM 489 CD LYS A 29 -8.911 11.039 -4.256 1.00 22.00 C ATOM 490 CE LYS A 29 -8.856 11.618 -5.674 1.00 53.43 C ATOM 491 NZ LYS A 29 -8.382 13.027 -5.660 1.00 25.50 N ATOM 0 H LYS A 29 -7.118 7.171 -2.971 1.00 23.12 H new ATOM 0 HA LYS A 29 -7.505 10.008 -2.141 1.00 4.15 H new ATOM 0 HB2 LYS A 29 -9.620 7.914 -2.859 1.00 32.02 H new ATOM 0 HB3 LYS A 29 -9.968 9.482 -2.159 1.00 32.02 H new ATOM 0 HG2 LYS A 29 -8.735 8.983 -4.907 1.00 73.40 H new ATOM 0 HG3 LYS A 29 -10.383 9.489 -4.593 1.00 73.40 H new ATOM 0 HD2 LYS A 29 -9.597 11.633 -3.653 1.00 22.00 H new ATOM 0 HD3 LYS A 29 -7.927 11.124 -3.796 1.00 22.00 H new ATOM 0 HE2 LYS A 29 -8.191 11.014 -6.291 1.00 53.43 H new ATOM 0 HE3 LYS A 29 -9.845 11.569 -6.129 1.00 53.43 H new ATOM 0 HZ1 LYS A 29 -8.355 13.394 -6.633 1.00 25.50 H new ATOM 0 HZ2 LYS A 29 -9.031 13.606 -5.090 1.00 25.50 H new ATOM 0 HZ3 LYS A 29 -7.428 13.068 -5.247 1.00 25.50 H new ATOM 505 N ARG A 30 -7.650 9.373 0.241 1.00 54.44 N ATOM 506 CA ARG A 30 -7.619 9.044 1.683 1.00 44.41 C ATOM 507 C ARG A 30 -8.997 8.722 2.258 1.00 50.50 C ATOM 508 O ARG A 30 -9.073 8.160 3.343 1.00 73.24 O ATOM 509 CB ARG A 30 -6.949 10.171 2.505 1.00 22.13 C ATOM 510 CG ARG A 30 -7.624 11.555 2.413 1.00 11.32 C ATOM 511 CD ARG A 30 -6.820 12.656 3.132 1.00 30.11 C ATOM 512 NE ARG A 30 -7.420 13.990 2.943 1.00 44.24 N ATOM 513 CZ ARG A 30 -6.874 15.132 3.296 1.00 24.30 C ATOM 514 NH1 ARG A 30 -5.741 15.183 3.923 1.00 52.32 N ATOM 515 NH2 ARG A 30 -7.501 16.236 3.043 1.00 50.55 N ATOM 0 H ARG A 30 -7.468 10.357 0.042 1.00 54.44 H new ATOM 0 HA ARG A 30 -7.019 8.138 1.765 1.00 44.41 H new ATOM 0 HB2 ARG A 30 -6.925 9.867 3.552 1.00 22.13 H new ATOM 0 HB3 ARG A 30 -5.914 10.269 2.177 1.00 22.13 H new ATOM 0 HG2 ARG A 30 -7.747 11.826 1.364 1.00 11.32 H new ATOM 0 HG3 ARG A 30 -8.622 11.498 2.847 1.00 11.32 H new ATOM 0 HD2 ARG A 30 -6.767 12.430 4.197 1.00 30.11 H new ATOM 0 HD3 ARG A 30 -5.797 12.662 2.756 1.00 30.11 H new ATOM 0 HE ARG A 30 -8.338 14.030 2.500 1.00 44.24 H new ATOM 0 HH11 ARG A 30 -5.248 14.321 4.156 1.00 52.32 H new ATOM 0 HH12 ARG A 30 -5.343 16.085 4.184 1.00 52.32 H new ATOM 0 HH21 ARG A 30 -8.407 16.212 2.575 1.00 50.55 H new ATOM 0 HH22 ARG A 30 -7.089 17.130 3.311 1.00 50.55 H new ATOM 529 N GLU A 31 -10.063 9.088 1.524 1.00 55.35 N ATOM 530 CA GLU A 31 -11.446 8.664 1.830 1.00 10.30 C ATOM 531 C GLU A 31 -11.513 7.140 2.081 1.00 72.24 C ATOM 532 O GLU A 31 -12.035 6.671 3.095 1.00 13.02 O ATOM 533 CB GLU A 31 -12.381 9.042 0.640 1.00 43.24 C ATOM 534 CG GLU A 31 -13.791 8.414 0.707 1.00 53.31 C ATOM 535 CD GLU A 31 -14.699 8.787 -0.476 1.00 74.10 C ATOM 536 OE1 GLU A 31 -14.527 8.213 -1.572 1.00 32.35 O ATOM 537 OE2 GLU A 31 -15.585 9.658 -0.319 1.00 73.23 O ATOM 0 H GLU A 31 -9.993 9.686 0.701 1.00 55.35 H new ATOM 0 HA GLU A 31 -11.774 9.176 2.735 1.00 10.30 H new ATOM 0 HB2 GLU A 31 -12.482 10.127 0.604 1.00 43.24 H new ATOM 0 HB3 GLU A 31 -11.905 8.735 -0.291 1.00 43.24 H new ATOM 0 HG2 GLU A 31 -13.693 7.329 0.748 1.00 53.31 H new ATOM 0 HG3 GLU A 31 -14.273 8.726 1.634 1.00 53.31 H new ATOM 544 N LEU A 32 -10.933 6.402 1.136 1.00 61.41 N ATOM 545 CA LEU A 32 -10.908 4.933 1.147 1.00 15.21 C ATOM 546 C LEU A 32 -9.673 4.396 1.899 1.00 12.25 C ATOM 547 O LEU A 32 -9.772 3.411 2.631 1.00 13.52 O ATOM 548 CB LEU A 32 -10.914 4.425 -0.306 1.00 5.44 C ATOM 549 CG LEU A 32 -12.087 4.928 -1.203 1.00 1.33 C ATOM 550 CD1 LEU A 32 -11.906 4.424 -2.646 1.00 70.32 C ATOM 551 CD2 LEU A 32 -13.464 4.519 -0.628 1.00 4.03 C ATOM 0 H LEU A 32 -10.460 6.809 0.329 1.00 61.41 H new ATOM 0 HA LEU A 32 -11.791 4.569 1.672 1.00 15.21 H new ATOM 0 HB2 LEU A 32 -9.974 4.716 -0.775 1.00 5.44 H new ATOM 0 HB3 LEU A 32 -10.938 3.335 -0.289 1.00 5.44 H new ATOM 0 HG LEU A 32 -12.063 6.018 -1.214 1.00 1.33 H new ATOM 0 HD11 LEU A 32 -12.731 4.782 -3.262 1.00 70.32 H new ATOM 0 HD12 LEU A 32 -10.964 4.799 -3.047 1.00 70.32 H new ATOM 0 HD13 LEU A 32 -11.895 3.334 -2.652 1.00 70.32 H new ATOM 0 HD21 LEU A 32 -14.255 4.888 -1.281 1.00 4.03 H new ATOM 0 HD22 LEU A 32 -13.523 3.433 -0.564 1.00 4.03 H new ATOM 0 HD23 LEU A 32 -13.585 4.948 0.367 1.00 4.03 H new ATOM 563 N PHE A 33 -8.520 5.072 1.707 1.00 41.34 N ATOM 564 CA PHE A 33 -7.210 4.648 2.258 1.00 62.11 C ATOM 565 C PHE A 33 -7.227 4.508 3.799 1.00 72.41 C ATOM 566 O PHE A 33 -6.693 3.539 4.338 1.00 34.23 O ATOM 567 CB PHE A 33 -6.107 5.631 1.807 1.00 41.54 C ATOM 568 CG PHE A 33 -4.663 5.230 2.159 1.00 13.41 C ATOM 569 CD1 PHE A 33 -3.953 4.334 1.355 1.00 23.05 C ATOM 570 CD2 PHE A 33 -4.007 5.786 3.260 1.00 10.01 C ATOM 571 CE1 PHE A 33 -2.639 4.008 1.643 1.00 42.43 C ATOM 572 CE2 PHE A 33 -2.697 5.454 3.552 1.00 23.51 C ATOM 573 CZ PHE A 33 -2.012 4.569 2.742 1.00 15.23 C ATOM 0 H PHE A 33 -8.469 5.933 1.162 1.00 41.34 H new ATOM 0 HA PHE A 33 -6.995 3.656 1.862 1.00 62.11 H new ATOM 0 HB2 PHE A 33 -6.176 5.753 0.726 1.00 41.54 H new ATOM 0 HB3 PHE A 33 -6.312 6.605 2.252 1.00 41.54 H new ATOM 0 HD1 PHE A 33 -4.436 3.890 0.497 1.00 23.05 H new ATOM 0 HD2 PHE A 33 -4.532 6.486 3.893 1.00 10.01 H new ATOM 0 HE1 PHE A 33 -2.103 3.316 1.010 1.00 42.43 H new ATOM 0 HE2 PHE A 33 -2.209 5.886 4.413 1.00 23.51 H new ATOM 0 HZ PHE A 33 -0.987 4.315 2.966 1.00 15.23 H new ATOM 583 N GLU A 34 -7.853 5.468 4.506 1.00 0.43 N ATOM 584 CA GLU A 34 -7.929 5.421 5.986 1.00 10.10 C ATOM 585 C GLU A 34 -8.940 4.350 6.492 1.00 33.33 C ATOM 586 O GLU A 34 -8.889 3.944 7.661 1.00 64.14 O ATOM 587 CB GLU A 34 -8.194 6.840 6.584 1.00 60.21 C ATOM 588 CG GLU A 34 -9.577 7.481 6.305 1.00 64.13 C ATOM 589 CD GLU A 34 -10.702 7.051 7.268 1.00 24.13 C ATOM 590 OE1 GLU A 34 -10.572 7.301 8.487 1.00 0.04 O ATOM 591 OE2 GLU A 34 -11.708 6.469 6.817 1.00 12.34 O ATOM 0 H GLU A 34 -8.310 6.278 4.086 1.00 0.43 H new ATOM 0 HA GLU A 34 -6.955 5.101 6.355 1.00 10.10 H new ATOM 0 HB2 GLU A 34 -8.061 6.781 7.664 1.00 60.21 H new ATOM 0 HB3 GLU A 34 -7.427 7.515 6.205 1.00 60.21 H new ATOM 0 HG2 GLU A 34 -9.474 8.565 6.352 1.00 64.13 H new ATOM 0 HG3 GLU A 34 -9.877 7.233 5.287 1.00 64.13 H new ATOM 598 N GLN A 35 -9.847 3.891 5.606 1.00 35.25 N ATOM 599 CA GLN A 35 -10.794 2.795 5.925 1.00 63.11 C ATOM 600 C GLN A 35 -10.091 1.412 5.938 1.00 44.45 C ATOM 601 O GLN A 35 -10.413 0.561 6.782 1.00 50.22 O ATOM 602 CB GLN A 35 -11.986 2.778 4.921 1.00 24.11 C ATOM 603 CG GLN A 35 -12.898 4.018 5.001 1.00 62.03 C ATOM 604 CD GLN A 35 -14.095 3.972 4.043 1.00 74.24 C ATOM 605 OE1 GLN A 35 -13.943 4.522 2.855 1.00 44.22 O flip ATOM 606 NE2 GLN A 35 -15.160 3.466 4.377 1.00 1.23 N flip ATOM 0 H GLN A 35 -9.946 4.261 4.661 1.00 35.25 H new ATOM 0 HA GLN A 35 -11.179 2.987 6.927 1.00 63.11 H new ATOM 0 HB2 GLN A 35 -11.592 2.696 3.908 1.00 24.11 H new ATOM 0 HB3 GLN A 35 -12.587 1.887 5.103 1.00 24.11 H new ATOM 0 HG2 GLN A 35 -13.266 4.121 6.022 1.00 62.03 H new ATOM 0 HG3 GLN A 35 -12.306 4.907 4.784 1.00 62.03 H new ATOM 0 HE21 GLN A 35 -15.257 3.045 5.301 1.00 1.23 H new ATOM 0 HE22 GLN A 35 -15.949 3.465 3.731 1.00 1.23 H new ATOM 615 N TRP A 36 -9.123 1.183 5.013 1.00 53.43 N ATOM 616 CA TRP A 36 -8.487 -0.157 4.840 1.00 71.04 C ATOM 617 C TRP A 36 -7.042 -0.238 5.404 1.00 30.45 C ATOM 618 O TRP A 36 -6.693 -1.218 6.078 1.00 22.12 O ATOM 619 CB TRP A 36 -8.523 -0.604 3.345 1.00 53.12 C ATOM 620 CG TRP A 36 -7.564 0.089 2.386 1.00 61.10 C ATOM 621 CD1 TRP A 36 -7.786 1.223 1.669 1.00 0.03 C ATOM 622 CD2 TRP A 36 -6.240 -0.346 2.023 1.00 53.12 C ATOM 623 NE1 TRP A 36 -6.686 1.536 0.915 1.00 23.44 N ATOM 624 CE2 TRP A 36 -5.724 0.595 1.114 1.00 75.21 C ATOM 625 CE3 TRP A 36 -5.437 -1.426 2.401 1.00 54.42 C ATOM 626 CZ2 TRP A 36 -4.455 0.480 0.566 1.00 62.24 C ATOM 627 CZ3 TRP A 36 -4.176 -1.538 1.862 1.00 60.33 C ATOM 628 CH2 TRP A 36 -3.692 -0.589 0.954 1.00 33.31 C ATOM 0 H TRP A 36 -8.766 1.899 4.380 1.00 53.43 H new ATOM 0 HA TRP A 36 -9.084 -0.850 5.434 1.00 71.04 H new ATOM 0 HB2 TRP A 36 -8.322 -1.675 3.308 1.00 53.12 H new ATOM 0 HB3 TRP A 36 -9.537 -0.457 2.973 1.00 53.12 H new ATOM 0 HD1 TRP A 36 -8.701 1.796 1.691 1.00 0.03 H new ATOM 0 HE1 TRP A 36 -6.602 2.346 0.301 1.00 23.44 H new ATOM 0 HE3 TRP A 36 -5.800 -2.160 3.105 1.00 54.42 H new ATOM 0 HZ2 TRP A 36 -4.082 1.207 -0.141 1.00 62.24 H new ATOM 0 HZ3 TRP A 36 -3.550 -2.371 2.144 1.00 60.33 H new ATOM 0 HH2 TRP A 36 -2.696 -0.702 0.551 1.00 33.31 H new ATOM 639 N PHE A 37 -6.203 0.779 5.118 1.00 64.41 N ATOM 640 CA PHE A 37 -4.756 0.738 5.439 1.00 51.54 C ATOM 641 C PHE A 37 -4.495 1.005 6.945 1.00 71.03 C ATOM 642 O PHE A 37 -4.198 2.131 7.351 1.00 32.42 O ATOM 643 CB PHE A 37 -3.961 1.728 4.539 1.00 72.11 C ATOM 644 CG PHE A 37 -2.432 1.570 4.629 1.00 23.21 C ATOM 645 CD1 PHE A 37 -1.757 0.677 3.799 1.00 4.25 C ATOM 646 CD2 PHE A 37 -1.677 2.307 5.547 1.00 75.43 C ATOM 647 CE1 PHE A 37 -0.384 0.525 3.878 1.00 23.31 C ATOM 648 CE2 PHE A 37 -0.309 2.153 5.624 1.00 41.33 C ATOM 649 CZ PHE A 37 0.338 1.264 4.791 1.00 25.41 C ATOM 0 H PHE A 37 -6.501 1.642 4.664 1.00 64.41 H new ATOM 0 HA PHE A 37 -4.398 -0.270 5.227 1.00 51.54 H new ATOM 0 HB2 PHE A 37 -4.270 1.588 3.503 1.00 72.11 H new ATOM 0 HB3 PHE A 37 -4.227 2.748 4.816 1.00 72.11 H new ATOM 0 HD1 PHE A 37 -2.315 0.094 3.082 1.00 4.25 H new ATOM 0 HD2 PHE A 37 -2.172 3.006 6.204 1.00 75.43 H new ATOM 0 HE1 PHE A 37 0.121 -0.172 3.225 1.00 23.31 H new ATOM 0 HE2 PHE A 37 0.258 2.730 6.339 1.00 41.33 H new ATOM 0 HZ PHE A 37 1.410 1.147 4.854 1.00 25.41 H new ATOM 659 N HIS A 38 -4.648 -0.050 7.762 1.00 35.13 N ATOM 660 CA HIS A 38 -4.366 -0.014 9.213 1.00 4.14 C ATOM 661 C HIS A 38 -4.373 -1.449 9.800 1.00 14.33 C ATOM 662 O HIS A 38 -5.114 -2.316 9.306 1.00 11.21 O ATOM 663 CB HIS A 38 -5.381 0.890 9.978 1.00 34.25 C ATOM 664 CG HIS A 38 -6.822 0.476 9.855 1.00 34.01 C ATOM 665 ND1 HIS A 38 -7.463 -0.310 10.788 1.00 71.21 N ATOM 666 CD2 HIS A 38 -7.743 0.740 8.897 1.00 43.12 C ATOM 667 CE1 HIS A 38 -8.707 -0.509 10.413 1.00 13.11 C ATOM 668 NE2 HIS A 38 -8.903 0.116 9.273 1.00 53.33 N ATOM 0 H HIS A 38 -4.973 -0.960 7.435 1.00 35.13 H new ATOM 0 HA HIS A 38 -3.375 0.420 9.345 1.00 4.14 H new ATOM 0 HB2 HIS A 38 -5.111 0.900 11.034 1.00 34.25 H new ATOM 0 HB3 HIS A 38 -5.280 1.912 9.613 1.00 34.25 H new ATOM 0 HD1 HIS A 38 -7.038 -0.680 11.638 1.00 71.21 H new ATOM 0 HD2 HIS A 38 -7.591 1.331 8.006 1.00 43.12 H new ATOM 0 HE1 HIS A 38 -9.444 -1.088 10.950 1.00 13.11 H new ATOM 0 HE2 HIS A 38 -9.779 0.133 8.752 1.00 53.33 H new ATOM 677 N PRO A 39 -3.541 -1.733 10.854 1.00 60.45 N ATOM 678 CA PRO A 39 -3.589 -3.027 11.588 1.00 1.23 C ATOM 679 C PRO A 39 -4.842 -3.156 12.503 1.00 13.03 C ATOM 680 O PRO A 39 -5.602 -2.191 12.684 1.00 4.13 O ATOM 681 CB PRO A 39 -2.278 -2.999 12.416 1.00 63.31 C ATOM 682 CG PRO A 39 -2.018 -1.543 12.653 1.00 5.13 C ATOM 683 CD PRO A 39 -2.465 -0.841 11.388 1.00 45.23 C ATOM 0 HA PRO A 39 -3.667 -3.884 10.919 1.00 1.23 H new ATOM 0 HB2 PRO A 39 -2.390 -3.541 13.355 1.00 63.31 H new ATOM 0 HB3 PRO A 39 -1.456 -3.466 11.874 1.00 63.31 H new ATOM 0 HG2 PRO A 39 -2.572 -1.181 13.519 1.00 5.13 H new ATOM 0 HG3 PRO A 39 -0.962 -1.360 12.851 1.00 5.13 H new ATOM 0 HD2 PRO A 39 -2.841 0.161 11.596 1.00 45.23 H new ATOM 0 HD3 PRO A 39 -1.645 -0.732 10.678 1.00 45.23 H new ATOM 691 N GLN A 40 -5.044 -4.361 13.069 1.00 20.43 N ATOM 692 CA GLN A 40 -6.191 -4.660 13.957 1.00 74.24 C ATOM 693 C GLN A 40 -6.074 -3.892 15.295 1.00 2.33 C ATOM 694 O GLN A 40 -4.974 -3.759 15.844 1.00 70.42 O ATOM 695 CB GLN A 40 -6.313 -6.195 14.203 1.00 43.54 C ATOM 696 CG GLN A 40 -6.854 -7.025 13.001 1.00 44.45 C ATOM 697 CD GLN A 40 -5.950 -7.039 11.756 1.00 44.55 C ATOM 698 OE1 GLN A 40 -4.733 -6.944 11.849 1.00 74.00 O ATOM 699 NE2 GLN A 40 -6.538 -7.179 10.581 1.00 31.51 N ATOM 0 H GLN A 40 -4.420 -5.155 12.926 1.00 20.43 H new ATOM 0 HA GLN A 40 -7.100 -4.323 13.459 1.00 74.24 H new ATOM 0 HB2 GLN A 40 -5.331 -6.581 14.476 1.00 43.54 H new ATOM 0 HB3 GLN A 40 -6.968 -6.357 15.059 1.00 43.54 H new ATOM 0 HG2 GLN A 40 -7.009 -8.053 13.330 1.00 44.45 H new ATOM 0 HG3 GLN A 40 -7.830 -6.631 12.718 1.00 44.45 H new ATOM 0 HE21 GLN A 40 -7.554 -7.257 10.525 1.00 31.51 H new ATOM 0 HE22 GLN A 40 -5.976 -7.210 9.730 1.00 31.51 H new ATOM 708 N ASP A 41 -7.223 -3.357 15.774 1.00 43.54 N ATOM 709 CA ASP A 41 -7.341 -2.537 17.019 1.00 21.04 C ATOM 710 C ASP A 41 -6.721 -1.114 16.896 1.00 44.25 C ATOM 711 O ASP A 41 -6.938 -0.271 17.773 1.00 35.33 O ATOM 712 CB ASP A 41 -6.763 -3.273 18.263 1.00 75.43 C ATOM 713 CG ASP A 41 -7.491 -4.590 18.561 1.00 63.34 C ATOM 714 OD1 ASP A 41 -8.560 -4.551 19.207 1.00 20.51 O ATOM 715 OD2 ASP A 41 -7.004 -5.665 18.145 1.00 14.11 O ATOM 0 H ASP A 41 -8.117 -3.482 15.300 1.00 43.54 H new ATOM 0 HA ASP A 41 -8.413 -2.401 17.161 1.00 21.04 H new ATOM 0 HB2 ASP A 41 -5.704 -3.476 18.101 1.00 75.43 H new ATOM 0 HB3 ASP A 41 -6.833 -2.619 19.132 1.00 75.43 H new ATOM 720 N ALA A 42 -5.962 -0.846 15.814 1.00 53.32 N ATOM 721 CA ALA A 42 -5.299 0.457 15.587 1.00 12.11 C ATOM 722 C ALA A 42 -5.892 1.175 14.349 1.00 45.10 C ATOM 723 O ALA A 42 -6.096 0.562 13.296 1.00 1.51 O ATOM 724 CB ALA A 42 -3.781 0.265 15.432 1.00 33.54 C ATOM 0 H ALA A 42 -5.791 -1.525 15.073 1.00 53.32 H new ATOM 0 HA ALA A 42 -5.481 1.088 16.457 1.00 12.11 H new ATOM 0 HB1 ALA A 42 -3.307 1.232 15.266 1.00 33.54 H new ATOM 0 HB2 ALA A 42 -3.377 -0.186 16.338 1.00 33.54 H new ATOM 0 HB3 ALA A 42 -3.582 -0.388 14.582 1.00 33.54 H new ATOM 730 N SER A 43 -6.165 2.476 14.507 1.00 70.31 N ATOM 731 CA SER A 43 -6.697 3.356 13.437 1.00 4.33 C ATOM 732 C SER A 43 -5.551 3.970 12.595 1.00 53.23 C ATOM 733 O SER A 43 -4.372 3.649 12.786 1.00 61.23 O ATOM 734 CB SER A 43 -7.569 4.480 14.063 1.00 20.11 C ATOM 735 OG SER A 43 -8.681 3.947 14.771 1.00 0.53 O ATOM 0 H SER A 43 -6.023 2.963 15.392 1.00 70.31 H new ATOM 0 HA SER A 43 -7.313 2.752 12.771 1.00 4.33 H new ATOM 0 HB2 SER A 43 -6.960 5.080 14.739 1.00 20.11 H new ATOM 0 HB3 SER A 43 -7.923 5.147 13.277 1.00 20.11 H new ATOM 0 HG SER A 43 -9.207 4.680 15.153 1.00 0.53 H new ATOM 741 N VAL A 44 -5.920 4.823 11.626 1.00 70.34 N ATOM 742 CA VAL A 44 -4.958 5.604 10.817 1.00 63.54 C ATOM 743 C VAL A 44 -5.545 7.008 10.502 1.00 43.43 C ATOM 744 O VAL A 44 -6.748 7.159 10.264 1.00 4.24 O ATOM 745 CB VAL A 44 -4.570 4.832 9.496 1.00 42.01 C ATOM 746 CG1 VAL A 44 -5.821 4.483 8.667 1.00 1.11 C ATOM 747 CG2 VAL A 44 -3.522 5.605 8.648 1.00 22.12 C ATOM 0 H VAL A 44 -6.894 4.994 11.378 1.00 70.34 H new ATOM 0 HA VAL A 44 -4.043 5.737 11.394 1.00 63.54 H new ATOM 0 HB VAL A 44 -4.099 3.897 9.800 1.00 42.01 H new ATOM 0 HG11 VAL A 44 -5.522 3.952 7.763 1.00 1.11 H new ATOM 0 HG12 VAL A 44 -6.484 3.850 9.257 1.00 1.11 H new ATOM 0 HG13 VAL A 44 -6.343 5.400 8.393 1.00 1.11 H new ATOM 0 HG21 VAL A 44 -3.288 5.033 7.750 1.00 22.12 H new ATOM 0 HG22 VAL A 44 -3.928 6.576 8.365 1.00 22.12 H new ATOM 0 HG23 VAL A 44 -2.614 5.748 9.234 1.00 22.12 H new ATOM 757 N THR A 45 -4.684 8.035 10.554 1.00 72.51 N ATOM 758 CA THR A 45 -5.048 9.440 10.285 1.00 53.01 C ATOM 759 C THR A 45 -4.167 9.986 9.142 1.00 11.20 C ATOM 760 O THR A 45 -2.954 10.158 9.311 1.00 32.25 O ATOM 761 CB THR A 45 -4.861 10.313 11.576 1.00 30.44 C ATOM 762 OG1 THR A 45 -5.655 9.770 12.651 1.00 65.34 O ATOM 763 CG2 THR A 45 -5.252 11.788 11.344 1.00 50.41 C ATOM 0 H THR A 45 -3.699 7.914 10.788 1.00 72.51 H new ATOM 0 HA THR A 45 -6.096 9.487 9.990 1.00 53.01 H new ATOM 0 HB THR A 45 -3.803 10.287 11.837 1.00 30.44 H new ATOM 0 HG1 THR A 45 -5.534 10.317 13.455 1.00 65.34 H new ATOM 0 HG21 THR A 45 -5.106 12.352 12.265 1.00 50.41 H new ATOM 0 HG22 THR A 45 -4.628 12.210 10.557 1.00 50.41 H new ATOM 0 HG23 THR A 45 -6.299 11.844 11.046 1.00 50.41 H new ATOM 771 N VAL A 46 -4.778 10.214 7.964 1.00 51.21 N ATOM 772 CA VAL A 46 -4.064 10.726 6.775 1.00 41.21 C ATOM 773 C VAL A 46 -4.196 12.270 6.696 1.00 15.42 C ATOM 774 O VAL A 46 -5.234 12.800 6.274 1.00 2.32 O ATOM 775 CB VAL A 46 -4.591 10.054 5.448 1.00 12.52 C ATOM 776 CG1 VAL A 46 -3.660 10.371 4.251 1.00 62.34 C ATOM 777 CG2 VAL A 46 -4.775 8.524 5.620 1.00 21.24 C ATOM 0 H VAL A 46 -5.773 10.051 7.808 1.00 51.21 H new ATOM 0 HA VAL A 46 -3.011 10.466 6.877 1.00 41.21 H new ATOM 0 HB VAL A 46 -5.570 10.481 5.233 1.00 12.52 H new ATOM 0 HG11 VAL A 46 -4.049 9.894 3.351 1.00 62.34 H new ATOM 0 HG12 VAL A 46 -3.616 11.450 4.100 1.00 62.34 H new ATOM 0 HG13 VAL A 46 -2.659 9.992 4.458 1.00 62.34 H new ATOM 0 HG21 VAL A 46 -5.139 8.094 4.687 1.00 21.24 H new ATOM 0 HG22 VAL A 46 -3.819 8.070 5.880 1.00 21.24 H new ATOM 0 HG23 VAL A 46 -5.497 8.331 6.414 1.00 21.24 H new ATOM 787 N TYR A 47 -3.129 12.970 7.118 1.00 75.12 N ATOM 788 CA TYR A 47 -3.097 14.453 7.211 1.00 72.33 C ATOM 789 C TYR A 47 -3.054 15.129 5.816 1.00 42.43 C ATOM 790 O TYR A 47 -3.552 16.246 5.638 1.00 61.41 O ATOM 791 CB TYR A 47 -1.870 14.892 8.049 1.00 22.13 C ATOM 792 CG TYR A 47 -1.848 14.322 9.481 1.00 21.22 C ATOM 793 CD1 TYR A 47 -2.537 14.955 10.518 1.00 12.44 C ATOM 794 CD2 TYR A 47 -1.144 13.153 9.789 1.00 24.53 C ATOM 795 CE1 TYR A 47 -2.520 14.446 11.804 1.00 71.24 C ATOM 796 CE2 TYR A 47 -1.128 12.646 11.071 1.00 4.53 C ATOM 797 CZ TYR A 47 -1.814 13.293 12.075 1.00 74.21 C ATOM 798 OH TYR A 47 -1.800 12.781 13.356 1.00 71.55 O ATOM 0 H TYR A 47 -2.257 12.528 7.407 1.00 75.12 H new ATOM 0 HA TYR A 47 -4.018 14.774 7.697 1.00 72.33 H new ATOM 0 HB2 TYR A 47 -0.961 14.582 7.532 1.00 22.13 H new ATOM 0 HB3 TYR A 47 -1.851 15.981 8.103 1.00 22.13 H new ATOM 0 HD1 TYR A 47 -3.093 15.858 10.312 1.00 12.44 H new ATOM 0 HD2 TYR A 47 -0.603 12.638 9.008 1.00 24.53 H new ATOM 0 HE1 TYR A 47 -3.058 14.950 12.593 1.00 71.24 H new ATOM 0 HE2 TYR A 47 -0.578 11.742 11.288 1.00 4.53 H new ATOM 0 HH TYR A 47 -1.257 11.965 13.376 1.00 71.55 H new ATOM 808 N ASP A 48 -2.450 14.438 4.839 1.00 53.12 N ATOM 809 CA ASP A 48 -2.337 14.919 3.444 1.00 73.04 C ATOM 810 C ASP A 48 -2.300 13.718 2.471 1.00 12.11 C ATOM 811 O ASP A 48 -1.800 12.649 2.832 1.00 42.34 O ATOM 812 CB ASP A 48 -1.058 15.787 3.284 1.00 60.10 C ATOM 813 CG ASP A 48 -0.956 16.454 1.902 1.00 63.14 C ATOM 814 OD1 ASP A 48 -1.492 17.571 1.733 1.00 25.42 O ATOM 815 OD2 ASP A 48 -0.382 15.846 0.969 1.00 30.44 O ATOM 0 H ASP A 48 -2.022 13.524 4.989 1.00 53.12 H new ATOM 0 HA ASP A 48 -3.207 15.532 3.207 1.00 73.04 H new ATOM 0 HB2 ASP A 48 -1.049 16.557 4.055 1.00 60.10 H new ATOM 0 HB3 ASP A 48 -0.179 15.163 3.446 1.00 60.10 H new ATOM 820 N PHE A 49 -2.812 13.901 1.231 1.00 2.25 N ATOM 821 CA PHE A 49 -2.778 12.829 0.209 1.00 70.03 C ATOM 822 C PHE A 49 -2.775 13.405 -1.230 1.00 74.03 C ATOM 823 O PHE A 49 -3.712 14.108 -1.635 1.00 0.22 O ATOM 824 CB PHE A 49 -3.979 11.847 0.398 1.00 3.42 C ATOM 825 CG PHE A 49 -3.740 10.410 -0.112 1.00 54.14 C ATOM 826 CD1 PHE A 49 -3.188 10.152 -1.367 1.00 34.33 C ATOM 827 CD2 PHE A 49 -4.068 9.318 0.679 1.00 53.21 C ATOM 828 CE1 PHE A 49 -2.976 8.863 -1.797 1.00 71.13 C ATOM 829 CE2 PHE A 49 -3.859 8.035 0.245 1.00 10.24 C ATOM 830 CZ PHE A 49 -3.315 7.801 -0.992 1.00 13.23 C ATOM 0 H PHE A 49 -3.248 14.768 0.917 1.00 2.25 H new ATOM 0 HA PHE A 49 -1.847 12.279 0.348 1.00 70.03 H new ATOM 0 HB2 PHE A 49 -4.228 11.802 1.458 1.00 3.42 H new ATOM 0 HB3 PHE A 49 -4.848 12.258 -0.116 1.00 3.42 H new ATOM 0 HD1 PHE A 49 -2.923 10.977 -2.011 1.00 34.33 H new ATOM 0 HD2 PHE A 49 -4.497 9.483 1.657 1.00 53.21 H new ATOM 0 HE1 PHE A 49 -2.542 8.684 -2.770 1.00 71.13 H new ATOM 0 HE2 PHE A 49 -4.124 7.203 0.881 1.00 10.24 H new ATOM 0 HZ PHE A 49 -3.154 6.789 -1.332 1.00 13.23 H new ATOM 840 N ASN A 50 -1.724 13.061 -1.999 1.00 71.01 N ATOM 841 CA ASN A 50 -1.659 13.297 -3.456 1.00 72.12 C ATOM 842 C ASN A 50 -0.905 12.128 -4.143 1.00 42.20 C ATOM 843 O ASN A 50 0.327 12.040 -4.066 1.00 74.25 O ATOM 844 CB ASN A 50 -0.960 14.653 -3.757 1.00 2.22 C ATOM 845 CG ASN A 50 -0.948 15.021 -5.245 1.00 52.24 C ATOM 846 OD1 ASN A 50 -1.834 14.643 -6.003 1.00 34.45 O ATOM 847 ND2 ASN A 50 0.047 15.766 -5.677 1.00 32.03 N ATOM 0 H ASN A 50 -0.890 12.608 -1.625 1.00 71.01 H new ATOM 0 HA ASN A 50 -2.673 13.344 -3.854 1.00 72.12 H new ATOM 0 HB2 ASN A 50 -1.464 15.443 -3.200 1.00 2.22 H new ATOM 0 HB3 ASN A 50 0.067 14.611 -3.393 1.00 2.22 H new ATOM 0 HD21 ASN A 50 0.091 16.039 -6.659 1.00 32.03 H new ATOM 0 HD22 ASN A 50 0.775 16.070 -5.030 1.00 32.03 H new ATOM 854 N ALA A 51 -1.652 11.221 -4.802 1.00 41.12 N ATOM 855 CA ALA A 51 -1.062 10.098 -5.562 1.00 21.12 C ATOM 856 C ALA A 51 -1.060 10.392 -7.069 1.00 52.03 C ATOM 857 O ALA A 51 -2.022 10.094 -7.786 1.00 72.00 O ATOM 858 CB ALA A 51 -1.785 8.786 -5.265 1.00 60.11 C ATOM 0 H ALA A 51 -2.672 11.244 -4.824 1.00 41.12 H new ATOM 0 HA ALA A 51 -0.027 9.989 -5.238 1.00 21.12 H new ATOM 0 HB1 ALA A 51 -1.327 7.980 -5.839 1.00 60.11 H new ATOM 0 HB2 ALA A 51 -1.709 8.562 -4.201 1.00 60.11 H new ATOM 0 HB3 ALA A 51 -2.835 8.878 -5.543 1.00 60.11 H new ATOM 864 N THR A 52 0.025 11.014 -7.528 1.00 71.12 N ATOM 865 CA THR A 52 0.253 11.322 -8.955 1.00 24.53 C ATOM 866 C THR A 52 1.692 10.946 -9.343 1.00 33.00 C ATOM 867 O THR A 52 2.492 10.549 -8.484 1.00 50.24 O ATOM 868 CB THR A 52 -0.017 12.837 -9.269 1.00 61.42 C ATOM 869 OG1 THR A 52 0.160 13.107 -10.672 1.00 43.42 O ATOM 870 CG2 THR A 52 0.887 13.776 -8.450 1.00 51.32 C ATOM 0 H THR A 52 0.783 11.325 -6.920 1.00 71.12 H new ATOM 0 HA THR A 52 -0.449 10.733 -9.546 1.00 24.53 H new ATOM 0 HB THR A 52 -1.051 13.033 -8.985 1.00 61.42 H new ATOM 0 HG1 THR A 52 -0.014 14.055 -10.847 1.00 43.42 H new ATOM 0 HG21 THR A 52 0.661 14.812 -8.704 1.00 51.32 H new ATOM 0 HG22 THR A 52 0.709 13.616 -7.387 1.00 51.32 H new ATOM 0 HG23 THR A 52 1.932 13.566 -8.679 1.00 51.32 H new ATOM 878 N LYS A 53 2.008 11.041 -10.640 1.00 65.24 N ATOM 879 CA LYS A 53 3.380 10.869 -11.133 1.00 43.23 C ATOM 880 C LYS A 53 4.241 12.071 -10.670 1.00 44.14 C ATOM 881 O LYS A 53 4.196 13.155 -11.258 1.00 23.11 O ATOM 882 CB LYS A 53 3.352 10.707 -12.673 1.00 44.03 C ATOM 883 CG LYS A 53 4.684 10.245 -13.302 1.00 21.34 C ATOM 884 CD LYS A 53 4.507 9.761 -14.759 1.00 23.22 C ATOM 885 CE LYS A 53 4.129 10.898 -15.730 1.00 54.31 C ATOM 886 NZ LYS A 53 5.212 11.915 -15.866 1.00 1.30 N ATOM 0 H LYS A 53 1.326 11.238 -11.372 1.00 65.24 H new ATOM 0 HA LYS A 53 3.834 9.967 -10.722 1.00 43.23 H new ATOM 0 HB2 LYS A 53 2.575 9.988 -12.934 1.00 44.03 H new ATOM 0 HB3 LYS A 53 3.068 11.660 -13.119 1.00 44.03 H new ATOM 0 HG2 LYS A 53 5.399 11.068 -13.279 1.00 21.34 H new ATOM 0 HG3 LYS A 53 5.106 9.439 -12.702 1.00 21.34 H new ATOM 0 HD2 LYS A 53 5.433 9.295 -15.096 1.00 23.22 H new ATOM 0 HD3 LYS A 53 3.734 8.993 -14.789 1.00 23.22 H new ATOM 0 HE2 LYS A 53 3.906 10.476 -16.710 1.00 54.31 H new ATOM 0 HE3 LYS A 53 3.219 11.385 -15.378 1.00 54.31 H new ATOM 0 HZ1 LYS A 53 4.961 12.592 -16.615 1.00 1.30 H new ATOM 0 HZ2 LYS A 53 5.327 12.422 -14.965 1.00 1.30 H new ATOM 0 HZ3 LYS A 53 6.104 11.441 -16.113 1.00 1.30 H new ATOM 900 N GLY A 54 4.984 11.869 -9.571 1.00 53.21 N ATOM 901 CA GLY A 54 5.650 12.961 -8.845 1.00 3.33 C ATOM 902 C GLY A 54 4.782 13.533 -7.708 1.00 24.52 C ATOM 903 O GLY A 54 4.764 14.749 -7.482 1.00 43.01 O ATOM 0 H GLY A 54 5.140 10.948 -9.162 1.00 53.21 H new ATOM 0 HA2 GLY A 54 6.590 12.597 -8.431 1.00 3.33 H new ATOM 0 HA3 GLY A 54 5.898 13.759 -9.545 1.00 3.33 H new ATOM 907 N GLY A 55 4.052 12.645 -7.001 1.00 53.51 N ATOM 908 CA GLY A 55 3.211 13.025 -5.849 1.00 62.32 C ATOM 909 C GLY A 55 3.777 12.603 -4.488 1.00 5.42 C ATOM 910 O GLY A 55 4.900 12.096 -4.400 1.00 61.14 O ATOM 0 H GLY A 55 4.030 11.647 -7.213 1.00 53.51 H new ATOM 0 HA2 GLY A 55 3.076 14.107 -5.854 1.00 62.32 H new ATOM 0 HA3 GLY A 55 2.224 12.580 -5.972 1.00 62.32 H new ATOM 914 N SER A 56 2.976 12.817 -3.423 1.00 52.32 N ATOM 915 CA SER A 56 3.332 12.442 -2.030 1.00 23.25 C ATOM 916 C SER A 56 2.097 12.501 -1.099 1.00 70.41 C ATOM 917 O SER A 56 1.168 13.284 -1.330 1.00 21.51 O ATOM 918 CB SER A 56 4.455 13.360 -1.482 1.00 23.11 C ATOM 919 OG SER A 56 4.113 14.731 -1.614 1.00 31.12 O ATOM 0 H SER A 56 2.059 13.257 -3.501 1.00 52.32 H new ATOM 0 HA SER A 56 3.697 11.415 -2.050 1.00 23.25 H new ATOM 0 HB2 SER A 56 4.637 13.128 -0.433 1.00 23.11 H new ATOM 0 HB3 SER A 56 5.383 13.162 -2.018 1.00 23.11 H new ATOM 0 HG SER A 56 4.839 15.285 -1.259 1.00 31.12 H new ATOM 925 N ALA A 57 2.111 11.678 -0.033 1.00 21.34 N ATOM 926 CA ALA A 57 1.003 11.581 0.946 1.00 24.34 C ATOM 927 C ALA A 57 1.542 11.368 2.374 1.00 53.45 C ATOM 928 O ALA A 57 2.402 10.515 2.590 1.00 61.40 O ATOM 929 CB ALA A 57 0.049 10.432 0.566 1.00 45.41 C ATOM 0 H ALA A 57 2.893 11.058 0.177 1.00 21.34 H new ATOM 0 HA ALA A 57 0.453 12.522 0.924 1.00 24.34 H new ATOM 0 HB1 ALA A 57 -0.759 10.374 1.295 1.00 45.41 H new ATOM 0 HB2 ALA A 57 -0.368 10.617 -0.424 1.00 45.41 H new ATOM 0 HB3 ALA A 57 0.598 9.491 0.558 1.00 45.41 H new ATOM 935 N PHE A 58 1.027 12.144 3.345 1.00 62.51 N ATOM 936 CA PHE A 58 1.412 12.023 4.770 1.00 53.54 C ATOM 937 C PHE A 58 0.258 11.396 5.589 1.00 52.20 C ATOM 938 O PHE A 58 -0.830 11.971 5.693 1.00 15.24 O ATOM 939 CB PHE A 58 1.808 13.413 5.348 1.00 3.41 C ATOM 940 CG PHE A 58 2.249 13.407 6.823 1.00 62.14 C ATOM 941 CD1 PHE A 58 3.093 12.407 7.321 1.00 34.44 C ATOM 942 CD2 PHE A 58 1.836 14.408 7.703 1.00 51.43 C ATOM 943 CE1 PHE A 58 3.502 12.411 8.638 1.00 74.54 C ATOM 944 CE2 PHE A 58 2.246 14.408 9.024 1.00 1.31 C ATOM 945 CZ PHE A 58 3.078 13.410 9.491 1.00 71.13 C ATOM 0 H PHE A 58 0.334 12.871 3.169 1.00 62.51 H new ATOM 0 HA PHE A 58 2.279 11.366 4.841 1.00 53.54 H new ATOM 0 HB2 PHE A 58 2.618 13.822 4.745 1.00 3.41 H new ATOM 0 HB3 PHE A 58 0.959 14.088 5.242 1.00 3.41 H new ATOM 0 HD1 PHE A 58 3.429 11.619 6.663 1.00 34.44 H new ATOM 0 HD2 PHE A 58 1.187 15.194 7.347 1.00 51.43 H new ATOM 0 HE1 PHE A 58 4.155 11.632 9.002 1.00 74.54 H new ATOM 0 HE2 PHE A 58 1.915 15.190 9.691 1.00 1.31 H new ATOM 0 HZ PHE A 58 3.397 13.411 10.523 1.00 71.13 H new ATOM 955 N TYR A 59 0.521 10.214 6.168 1.00 73.04 N ATOM 956 CA TYR A 59 -0.425 9.501 7.052 1.00 41.45 C ATOM 957 C TYR A 59 0.262 9.106 8.379 1.00 73.33 C ATOM 958 O TYR A 59 1.456 9.357 8.564 1.00 2.04 O ATOM 959 CB TYR A 59 -1.018 8.261 6.321 1.00 0.43 C ATOM 960 CG TYR A 59 0.004 7.204 5.854 1.00 42.14 C ATOM 961 CD1 TYR A 59 0.607 7.285 4.593 1.00 54.45 C ATOM 962 CD2 TYR A 59 0.349 6.124 6.672 1.00 64.05 C ATOM 963 CE1 TYR A 59 1.514 6.328 4.172 1.00 54.52 C ATOM 964 CE2 TYR A 59 1.251 5.171 6.251 1.00 42.43 C ATOM 965 CZ TYR A 59 1.829 5.273 5.003 1.00 55.04 C ATOM 966 OH TYR A 59 2.717 4.303 4.590 1.00 72.00 O ATOM 0 H TYR A 59 1.403 9.719 6.037 1.00 73.04 H new ATOM 0 HA TYR A 59 -1.250 10.169 7.297 1.00 41.45 H new ATOM 0 HB2 TYR A 59 -1.733 7.778 6.987 1.00 0.43 H new ATOM 0 HB3 TYR A 59 -1.576 8.608 5.452 1.00 0.43 H new ATOM 0 HD1 TYR A 59 0.360 8.108 3.938 1.00 54.45 H new ATOM 0 HD2 TYR A 59 -0.099 6.035 7.651 1.00 64.05 H new ATOM 0 HE1 TYR A 59 1.973 6.407 3.198 1.00 54.52 H new ATOM 0 HE2 TYR A 59 1.505 4.345 6.898 1.00 42.43 H new ATOM 0 HH TYR A 59 3.603 4.703 4.465 1.00 72.00 H new ATOM 976 N ALA A 60 -0.505 8.492 9.298 1.00 60.31 N ATOM 977 CA ALA A 60 0.010 8.064 10.615 1.00 0.50 C ATOM 978 C ALA A 60 -0.858 6.947 11.228 1.00 73.42 C ATOM 979 O ALA A 60 -2.068 7.100 11.352 1.00 12.21 O ATOM 980 CB ALA A 60 0.086 9.266 11.568 1.00 63.33 C ATOM 0 H ALA A 60 -1.492 8.279 9.152 1.00 60.31 H new ATOM 0 HA ALA A 60 1.012 7.660 10.468 1.00 0.50 H new ATOM 0 HB1 ALA A 60 0.467 8.940 12.536 1.00 63.33 H new ATOM 0 HB2 ALA A 60 0.754 10.020 11.151 1.00 63.33 H new ATOM 0 HB3 ALA A 60 -0.909 9.693 11.695 1.00 63.33 H new ATOM 986 N ILE A 61 -0.224 5.834 11.631 1.00 33.42 N ATOM 987 CA ILE A 61 -0.906 4.701 12.284 1.00 14.31 C ATOM 988 C ILE A 61 -1.218 5.046 13.762 1.00 12.15 C ATOM 989 O ILE A 61 -0.327 5.044 14.620 1.00 44.43 O ATOM 990 CB ILE A 61 -0.025 3.397 12.181 1.00 5.41 C ATOM 991 CG1 ILE A 61 0.249 3.035 10.678 1.00 11.43 C ATOM 992 CG2 ILE A 61 -0.651 2.200 12.950 1.00 73.11 C ATOM 993 CD1 ILE A 61 -1.000 2.760 9.841 1.00 33.42 C ATOM 0 H ILE A 61 0.779 5.693 11.513 1.00 33.42 H new ATOM 0 HA ILE A 61 -1.849 4.512 11.771 1.00 14.31 H new ATOM 0 HB ILE A 61 0.930 3.608 12.663 1.00 5.41 H new ATOM 0 HG12 ILE A 61 0.803 3.853 10.218 1.00 11.43 H new ATOM 0 HG13 ILE A 61 0.892 2.156 10.643 1.00 11.43 H new ATOM 0 HG21 ILE A 61 -0.007 1.326 12.849 1.00 73.11 H new ATOM 0 HG22 ILE A 61 -0.751 2.457 14.005 1.00 73.11 H new ATOM 0 HG23 ILE A 61 -1.634 1.976 12.537 1.00 73.11 H new ATOM 0 HD11 ILE A 61 -0.707 2.519 8.819 1.00 33.42 H new ATOM 0 HD12 ILE A 61 -1.547 1.920 10.269 1.00 33.42 H new ATOM 0 HD13 ILE A 61 -1.637 3.644 9.837 1.00 33.42 H new ATOM 1005 N GLN A 62 -2.492 5.383 14.022 1.00 32.40 N ATOM 1006 CA GLN A 62 -2.975 5.786 15.355 1.00 71.42 C ATOM 1007 C GLN A 62 -3.265 4.516 16.209 1.00 14.23 C ATOM 1008 O GLN A 62 -4.315 3.890 16.072 1.00 10.02 O ATOM 1009 CB GLN A 62 -4.253 6.686 15.186 1.00 52.10 C ATOM 1010 CG GLN A 62 -4.530 7.714 16.312 1.00 43.30 C ATOM 1011 CD GLN A 62 -4.749 7.091 17.694 1.00 62.12 C ATOM 1012 OE1 GLN A 62 -3.684 6.947 18.462 1.00 55.43 O flip ATOM 1013 NE2 GLN A 62 -5.866 6.766 18.081 1.00 53.21 N flip ATOM 0 H GLN A 62 -3.221 5.384 13.309 1.00 32.40 H new ATOM 0 HA GLN A 62 -2.217 6.369 15.878 1.00 71.42 H new ATOM 0 HB2 GLN A 62 -4.167 7.227 14.244 1.00 52.10 H new ATOM 0 HB3 GLN A 62 -5.121 6.033 15.100 1.00 52.10 H new ATOM 0 HG2 GLN A 62 -3.692 8.409 16.368 1.00 43.30 H new ATOM 0 HG3 GLN A 62 -5.411 8.298 16.046 1.00 43.30 H new ATOM 0 HE21 GLN A 62 -6.673 6.887 17.469 1.00 53.21 H new ATOM 0 HE22 GLN A 62 -5.988 6.375 19.015 1.00 53.21 H new ATOM 1022 N ALA A 63 -2.309 4.151 17.075 1.00 12.43 N ATOM 1023 CA ALA A 63 -2.415 2.978 17.978 1.00 44.21 C ATOM 1024 C ALA A 63 -3.042 3.387 19.349 1.00 24.23 C ATOM 1025 O ALA A 63 -3.038 4.572 19.689 1.00 0.25 O ATOM 1026 CB ALA A 63 -1.008 2.359 18.158 1.00 11.51 C ATOM 0 H ALA A 63 -1.431 4.660 17.175 1.00 12.43 H new ATOM 0 HA ALA A 63 -3.077 2.233 17.537 1.00 44.21 H new ATOM 0 HB1 ALA A 63 -1.072 1.495 18.820 1.00 11.51 H new ATOM 0 HB2 ALA A 63 -0.622 2.045 17.188 1.00 11.51 H new ATOM 0 HB3 ALA A 63 -0.337 3.100 18.593 1.00 11.51 H new ATOM 1032 N PRO A 64 -3.574 2.422 20.182 1.00 11.42 N ATOM 1033 CA PRO A 64 -4.205 2.742 21.515 1.00 12.22 C ATOM 1034 C PRO A 64 -3.216 3.215 22.644 1.00 22.52 C ATOM 1035 O PRO A 64 -3.509 3.055 23.839 1.00 41.01 O ATOM 1036 CB PRO A 64 -4.889 1.393 21.886 1.00 3.22 C ATOM 1037 CG PRO A 64 -4.050 0.352 21.211 1.00 73.12 C ATOM 1038 CD PRO A 64 -3.656 0.960 19.885 1.00 72.31 C ATOM 0 HA PRO A 64 -4.874 3.599 21.435 1.00 12.22 H new ATOM 0 HB2 PRO A 64 -4.915 1.244 22.965 1.00 3.22 H new ATOM 0 HB3 PRO A 64 -5.921 1.361 21.535 1.00 3.22 H new ATOM 0 HG2 PRO A 64 -3.172 0.106 21.808 1.00 73.12 H new ATOM 0 HG3 PRO A 64 -4.609 -0.573 21.070 1.00 73.12 H new ATOM 0 HD2 PRO A 64 -2.702 0.568 19.531 1.00 72.31 H new ATOM 0 HD3 PRO A 64 -4.394 0.748 19.111 1.00 72.31 H new ATOM 1046 N GLN A 65 -2.066 3.812 22.255 1.00 73.23 N ATOM 1047 CA GLN A 65 -1.080 4.411 23.187 1.00 55.13 C ATOM 1048 C GLN A 65 -0.205 5.433 22.414 1.00 63.44 C ATOM 1049 O GLN A 65 -0.050 6.588 22.829 1.00 23.22 O ATOM 1050 CB GLN A 65 -0.209 3.283 23.838 1.00 24.55 C ATOM 1051 CG GLN A 65 0.692 3.686 25.046 1.00 25.01 C ATOM 1052 CD GLN A 65 2.020 4.367 24.672 1.00 44.15 C ATOM 1053 OE1 GLN A 65 3.031 3.709 24.451 1.00 53.23 O ATOM 1054 NE2 GLN A 65 2.037 5.685 24.639 1.00 12.42 N ATOM 0 H GLN A 65 -1.793 3.893 21.276 1.00 73.23 H new ATOM 0 HA GLN A 65 -1.595 4.937 23.991 1.00 55.13 H new ATOM 0 HB2 GLN A 65 -0.877 2.487 24.166 1.00 24.55 H new ATOM 0 HB3 GLN A 65 0.432 2.862 23.064 1.00 24.55 H new ATOM 0 HG2 GLN A 65 0.127 4.357 25.693 1.00 25.01 H new ATOM 0 HG3 GLN A 65 0.912 2.792 25.629 1.00 25.01 H new ATOM 0 HE21 GLN A 65 1.183 6.211 24.826 1.00 12.42 H new ATOM 0 HE22 GLN A 65 2.904 6.179 24.426 1.00 12.42 H new ATOM 1063 N MET A 66 0.338 4.976 21.275 1.00 21.11 N ATOM 1064 CA MET A 66 1.305 5.733 20.429 1.00 23.32 C ATOM 1065 C MET A 66 0.731 6.005 19.022 1.00 50.35 C ATOM 1066 O MET A 66 -0.286 5.443 18.644 1.00 10.22 O ATOM 1067 CB MET A 66 2.624 4.921 20.308 1.00 61.44 C ATOM 1068 CG MET A 66 2.428 3.476 19.818 1.00 60.12 C ATOM 1069 SD MET A 66 3.982 2.603 19.545 1.00 52.51 S ATOM 1070 CE MET A 66 4.589 3.424 18.074 1.00 2.21 C ATOM 0 H MET A 66 0.120 4.053 20.899 1.00 21.11 H new ATOM 0 HA MET A 66 1.498 6.695 20.904 1.00 23.32 H new ATOM 0 HB2 MET A 66 3.295 5.438 19.622 1.00 61.44 H new ATOM 0 HB3 MET A 66 3.116 4.900 21.280 1.00 61.44 H new ATOM 0 HG2 MET A 66 1.834 2.928 20.550 1.00 60.12 H new ATOM 0 HG3 MET A 66 1.857 3.488 18.889 1.00 60.12 H new ATOM 0 HE1 MET A 66 5.145 2.713 17.463 1.00 2.21 H new ATOM 0 HE2 MET A 66 3.747 3.814 17.501 1.00 2.21 H new ATOM 0 HE3 MET A 66 5.245 4.246 18.361 1.00 2.21 H new ATOM 1080 N ILE A 67 1.373 6.914 18.266 1.00 51.13 N ATOM 1081 CA ILE A 67 1.054 7.156 16.834 1.00 14.24 C ATOM 1082 C ILE A 67 2.367 7.098 16.008 1.00 22.34 C ATOM 1083 O ILE A 67 3.339 7.779 16.358 1.00 74.25 O ATOM 1084 CB ILE A 67 0.357 8.556 16.600 1.00 61.52 C ATOM 1085 CG1 ILE A 67 -0.858 8.761 17.559 1.00 12.23 C ATOM 1086 CG2 ILE A 67 -0.087 8.708 15.121 1.00 74.15 C ATOM 1087 CD1 ILE A 67 -1.557 10.107 17.438 1.00 1.14 C ATOM 0 H ILE A 67 2.126 7.503 18.622 1.00 51.13 H new ATOM 0 HA ILE A 67 0.355 6.383 16.515 1.00 14.24 H new ATOM 0 HB ILE A 67 1.092 9.329 16.825 1.00 61.52 H new ATOM 0 HG12 ILE A 67 -1.587 7.973 17.370 1.00 12.23 H new ATOM 0 HG13 ILE A 67 -0.515 8.639 18.586 1.00 12.23 H new ATOM 0 HG21 ILE A 67 -0.564 9.678 14.982 1.00 74.15 H new ATOM 0 HG22 ILE A 67 0.784 8.636 14.470 1.00 74.15 H new ATOM 0 HG23 ILE A 67 -0.794 7.917 14.870 1.00 74.15 H new ATOM 0 HD11 ILE A 67 -2.386 10.151 18.144 1.00 1.14 H new ATOM 0 HD12 ILE A 67 -0.849 10.906 17.659 1.00 1.14 H new ATOM 0 HD13 ILE A 67 -1.938 10.229 16.424 1.00 1.14 H new ATOM 1099 N SER A 68 2.405 6.287 14.931 1.00 21.12 N ATOM 1100 CA SER A 68 3.599 6.175 14.045 1.00 41.15 C ATOM 1101 C SER A 68 3.349 6.872 12.693 1.00 45.12 C ATOM 1102 O SER A 68 2.541 6.414 11.893 1.00 61.23 O ATOM 1103 CB SER A 68 3.966 4.690 13.791 1.00 61.53 C ATOM 1104 OG SER A 68 4.281 4.017 14.993 1.00 22.54 O ATOM 0 H SER A 68 1.624 5.696 14.647 1.00 21.12 H new ATOM 0 HA SER A 68 4.428 6.666 14.555 1.00 41.15 H new ATOM 0 HB2 SER A 68 3.132 4.188 13.300 1.00 61.53 H new ATOM 0 HB3 SER A 68 4.816 4.636 13.110 1.00 61.53 H new ATOM 0 HG SER A 68 4.506 3.084 14.796 1.00 22.54 H new ATOM 1110 N TYR A 69 4.084 7.959 12.436 1.00 70.21 N ATOM 1111 CA TYR A 69 3.885 8.827 11.250 1.00 14.41 C ATOM 1112 C TYR A 69 4.752 8.334 10.067 1.00 10.12 C ATOM 1113 O TYR A 69 5.877 7.880 10.279 1.00 41.12 O ATOM 1114 CB TYR A 69 4.241 10.294 11.621 1.00 65.12 C ATOM 1115 CG TYR A 69 3.508 10.830 12.869 1.00 75.03 C ATOM 1116 CD1 TYR A 69 3.867 10.389 14.144 1.00 11.52 C ATOM 1117 CD2 TYR A 69 2.462 11.752 12.777 1.00 75.45 C ATOM 1118 CE1 TYR A 69 3.220 10.832 15.268 1.00 43.44 C ATOM 1119 CE2 TYR A 69 1.804 12.205 13.910 1.00 12.42 C ATOM 1120 CZ TYR A 69 2.187 11.742 15.153 1.00 72.34 C ATOM 1121 OH TYR A 69 1.535 12.192 16.285 1.00 72.30 O ATOM 0 H TYR A 69 4.841 8.271 13.044 1.00 70.21 H new ATOM 0 HA TYR A 69 2.841 8.782 10.940 1.00 14.41 H new ATOM 0 HB2 TYR A 69 5.316 10.363 11.788 1.00 65.12 H new ATOM 0 HB3 TYR A 69 4.008 10.938 10.773 1.00 65.12 H new ATOM 0 HD1 TYR A 69 4.675 9.680 14.247 1.00 11.52 H new ATOM 0 HD2 TYR A 69 2.161 12.118 11.807 1.00 75.45 H new ATOM 0 HE1 TYR A 69 3.517 10.471 16.241 1.00 43.44 H new ATOM 0 HE2 TYR A 69 0.996 12.916 13.821 1.00 12.42 H new ATOM 0 HH TYR A 69 0.835 12.828 16.028 1.00 72.30 H new ATOM 1131 N THR A 70 4.242 8.454 8.822 1.00 24.13 N ATOM 1132 CA THR A 70 4.915 7.910 7.613 1.00 32.15 C ATOM 1133 C THR A 70 4.453 8.659 6.336 1.00 62.11 C ATOM 1134 O THR A 70 3.252 8.861 6.122 1.00 22.12 O ATOM 1135 CB THR A 70 4.649 6.363 7.442 1.00 1.43 C ATOM 1136 OG1 THR A 70 5.071 5.646 8.618 1.00 13.05 O ATOM 1137 CG2 THR A 70 5.384 5.775 6.223 1.00 32.12 C ATOM 0 H THR A 70 3.360 8.926 8.623 1.00 24.13 H new ATOM 0 HA THR A 70 5.985 8.062 7.751 1.00 32.15 H new ATOM 0 HB THR A 70 3.576 6.248 7.290 1.00 1.43 H new ATOM 0 HG1 THR A 70 4.898 4.689 8.497 1.00 13.05 H new ATOM 0 HG21 THR A 70 5.170 4.709 6.148 1.00 32.12 H new ATOM 0 HG22 THR A 70 5.046 6.278 5.317 1.00 32.12 H new ATOM 0 HG23 THR A 70 6.458 5.922 6.340 1.00 32.12 H new ATOM 1145 N ILE A 71 5.424 9.077 5.506 1.00 74.12 N ATOM 1146 CA ILE A 71 5.186 9.769 4.218 1.00 31.35 C ATOM 1147 C ILE A 71 5.480 8.820 3.021 1.00 45.30 C ATOM 1148 O ILE A 71 6.625 8.393 2.837 1.00 61.42 O ATOM 1149 CB ILE A 71 6.115 11.041 4.094 1.00 31.31 C ATOM 1150 CG1 ILE A 71 5.993 11.944 5.371 1.00 71.40 C ATOM 1151 CG2 ILE A 71 5.797 11.840 2.796 1.00 45.44 C ATOM 1152 CD1 ILE A 71 6.985 13.095 5.456 1.00 52.50 C ATOM 0 H ILE A 71 6.414 8.943 5.711 1.00 74.12 H new ATOM 0 HA ILE A 71 4.139 10.073 4.194 1.00 31.35 H new ATOM 0 HB ILE A 71 7.149 10.704 4.024 1.00 31.31 H new ATOM 0 HG12 ILE A 71 4.984 12.353 5.410 1.00 71.40 H new ATOM 0 HG13 ILE A 71 6.116 11.315 6.253 1.00 71.40 H new ATOM 0 HG21 ILE A 71 6.450 12.710 2.735 1.00 45.44 H new ATOM 0 HG22 ILE A 71 5.960 11.202 1.927 1.00 45.44 H new ATOM 0 HG23 ILE A 71 4.758 12.167 2.816 1.00 45.44 H new ATOM 0 HD11 ILE A 71 6.815 13.655 6.375 1.00 52.50 H new ATOM 0 HD12 ILE A 71 8.001 12.700 5.455 1.00 52.50 H new ATOM 0 HD13 ILE A 71 6.851 13.755 4.599 1.00 52.50 H new ATOM 1164 N ALA A 72 4.460 8.511 2.200 1.00 32.01 N ATOM 1165 CA ALA A 72 4.649 7.734 0.956 1.00 41.23 C ATOM 1166 C ALA A 72 4.722 8.693 -0.257 1.00 50.54 C ATOM 1167 O ALA A 72 3.745 9.374 -0.578 1.00 3.32 O ATOM 1168 CB ALA A 72 3.499 6.724 0.794 1.00 12.01 C ATOM 0 H ALA A 72 3.494 8.787 2.374 1.00 32.01 H new ATOM 0 HA ALA A 72 5.587 7.181 1.010 1.00 41.23 H new ATOM 0 HB1 ALA A 72 3.642 6.154 -0.124 1.00 12.01 H new ATOM 0 HB2 ALA A 72 3.489 6.044 1.646 1.00 12.01 H new ATOM 0 HB3 ALA A 72 2.550 7.258 0.745 1.00 12.01 H new ATOM 1174 N GLU A 73 5.890 8.739 -0.927 1.00 20.32 N ATOM 1175 CA GLU A 73 6.136 9.640 -2.074 1.00 43.34 C ATOM 1176 C GLU A 73 5.918 8.887 -3.407 1.00 74.31 C ATOM 1177 O GLU A 73 6.707 8.017 -3.771 1.00 30.42 O ATOM 1178 CB GLU A 73 7.586 10.193 -1.986 1.00 65.33 C ATOM 1179 CG GLU A 73 7.939 10.840 -0.627 1.00 4.12 C ATOM 1180 CD GLU A 73 9.306 11.541 -0.628 1.00 11.41 C ATOM 1181 OE1 GLU A 73 9.423 12.614 -1.250 1.00 12.12 O ATOM 1182 OE2 GLU A 73 10.266 11.042 -0.005 1.00 62.13 O ATOM 0 H GLU A 73 6.691 8.153 -0.690 1.00 20.32 H new ATOM 0 HA GLU A 73 5.433 10.472 -2.040 1.00 43.34 H new ATOM 0 HB2 GLU A 73 8.285 9.379 -2.180 1.00 65.33 H new ATOM 0 HB3 GLU A 73 7.729 10.931 -2.775 1.00 65.33 H new ATOM 0 HG2 GLU A 73 7.167 11.563 -0.365 1.00 4.12 H new ATOM 0 HG3 GLU A 73 7.932 10.072 0.147 1.00 4.12 H new ATOM 1189 N TYR A 74 4.865 9.267 -4.146 1.00 11.32 N ATOM 1190 CA TYR A 74 4.441 8.563 -5.375 1.00 72.20 C ATOM 1191 C TYR A 74 5.321 8.961 -6.575 1.00 24.34 C ATOM 1192 O TYR A 74 5.165 10.037 -7.144 1.00 13.43 O ATOM 1193 CB TYR A 74 2.930 8.811 -5.643 1.00 70.45 C ATOM 1194 CG TYR A 74 2.026 8.239 -4.531 1.00 3.23 C ATOM 1195 CD1 TYR A 74 1.832 8.935 -3.333 1.00 71.24 C ATOM 1196 CD2 TYR A 74 1.406 6.991 -4.662 1.00 33.21 C ATOM 1197 CE1 TYR A 74 1.062 8.410 -2.316 1.00 33.25 C ATOM 1198 CE2 TYR A 74 0.625 6.467 -3.644 1.00 3.54 C ATOM 1199 CZ TYR A 74 0.461 7.180 -2.473 1.00 34.01 C ATOM 1200 OH TYR A 74 -0.303 6.660 -1.448 1.00 33.24 O ATOM 0 H TYR A 74 4.281 10.070 -3.912 1.00 11.32 H new ATOM 0 HA TYR A 74 4.578 7.491 -5.231 1.00 72.20 H new ATOM 0 HB2 TYR A 74 2.753 9.883 -5.734 1.00 70.45 H new ATOM 0 HB3 TYR A 74 2.656 8.360 -6.597 1.00 70.45 H new ATOM 0 HD1 TYR A 74 2.294 9.902 -3.202 1.00 71.24 H new ATOM 0 HD2 TYR A 74 1.539 6.426 -5.573 1.00 33.21 H new ATOM 0 HE1 TYR A 74 0.930 8.963 -1.397 1.00 33.25 H new ATOM 0 HE2 TYR A 74 0.147 5.506 -3.766 1.00 3.54 H new ATOM 0 HH TYR A 74 -1.172 7.112 -1.426 1.00 33.24 H new ATOM 1210 N LEU A 75 6.270 8.074 -6.927 1.00 1.04 N ATOM 1211 CA LEU A 75 7.258 8.321 -7.994 1.00 54.52 C ATOM 1212 C LEU A 75 6.569 8.374 -9.384 1.00 53.52 C ATOM 1213 O LEU A 75 6.641 9.393 -10.081 1.00 71.25 O ATOM 1214 CB LEU A 75 8.369 7.233 -7.949 1.00 21.25 C ATOM 1215 CG LEU A 75 9.567 7.415 -8.942 1.00 22.43 C ATOM 1216 CD1 LEU A 75 10.273 8.779 -8.743 1.00 24.12 C ATOM 1217 CD2 LEU A 75 10.575 6.247 -8.808 1.00 12.33 C ATOM 0 H LEU A 75 6.374 7.164 -6.479 1.00 1.04 H new ATOM 0 HA LEU A 75 7.724 9.292 -7.827 1.00 54.52 H new ATOM 0 HB2 LEU A 75 8.769 7.195 -6.936 1.00 21.25 H new ATOM 0 HB3 LEU A 75 7.907 6.265 -8.146 1.00 21.25 H new ATOM 0 HG LEU A 75 9.160 7.403 -9.953 1.00 22.43 H new ATOM 0 HD11 LEU A 75 11.098 8.868 -9.450 1.00 24.12 H new ATOM 0 HD12 LEU A 75 9.560 9.586 -8.914 1.00 24.12 H new ATOM 0 HD13 LEU A 75 10.658 8.844 -7.725 1.00 24.12 H new ATOM 0 HD21 LEU A 75 11.398 6.395 -9.507 1.00 12.33 H new ATOM 0 HD22 LEU A 75 10.964 6.217 -7.790 1.00 12.33 H new ATOM 0 HD23 LEU A 75 10.073 5.306 -9.032 1.00 12.33 H new ATOM 1229 N GLN A 76 5.873 7.282 -9.764 1.00 34.44 N ATOM 1230 CA GLN A 76 5.141 7.210 -11.054 1.00 20.32 C ATOM 1231 C GLN A 76 3.749 6.560 -10.880 1.00 61.53 C ATOM 1232 O GLN A 76 3.636 5.389 -10.539 1.00 40.32 O ATOM 1233 CB GLN A 76 5.952 6.402 -12.112 1.00 34.12 C ATOM 1234 CG GLN A 76 7.258 7.056 -12.600 1.00 5.04 C ATOM 1235 CD GLN A 76 8.011 6.174 -13.602 1.00 14.02 C ATOM 1236 OE1 GLN A 76 7.798 6.252 -14.808 1.00 4.00 O ATOM 1237 NE2 GLN A 76 8.884 5.314 -13.113 1.00 44.42 N ATOM 0 H GLN A 76 5.800 6.436 -9.198 1.00 34.44 H new ATOM 0 HA GLN A 76 5.011 8.235 -11.402 1.00 20.32 H new ATOM 0 HB2 GLN A 76 6.192 5.426 -11.690 1.00 34.12 H new ATOM 0 HB3 GLN A 76 5.311 6.226 -12.976 1.00 34.12 H new ATOM 0 HG2 GLN A 76 7.030 8.016 -13.064 1.00 5.04 H new ATOM 0 HG3 GLN A 76 7.901 7.260 -11.744 1.00 5.04 H new ATOM 0 HE21 GLN A 76 9.045 5.267 -12.107 1.00 44.42 H new ATOM 0 HE22 GLN A 76 9.398 4.696 -13.741 1.00 44.42 H new ATOM 1246 N VAL A 77 2.693 7.334 -11.148 1.00 22.11 N ATOM 1247 CA VAL A 77 1.306 6.833 -11.227 1.00 62.13 C ATOM 1248 C VAL A 77 0.741 7.160 -12.627 1.00 71.52 C ATOM 1249 O VAL A 77 0.710 8.330 -13.025 1.00 13.43 O ATOM 1250 CB VAL A 77 0.397 7.455 -10.092 1.00 0.04 C ATOM 1251 CG1 VAL A 77 -1.082 7.031 -10.250 1.00 63.44 C ATOM 1252 CG2 VAL A 77 0.929 7.087 -8.680 1.00 31.35 C ATOM 0 H VAL A 77 2.771 8.337 -11.319 1.00 22.11 H new ATOM 0 HA VAL A 77 1.308 5.754 -11.073 1.00 62.13 H new ATOM 0 HB VAL A 77 0.444 8.539 -10.199 1.00 0.04 H new ATOM 0 HG11 VAL A 77 -1.676 7.478 -9.452 1.00 63.44 H new ATOM 0 HG12 VAL A 77 -1.457 7.371 -11.215 1.00 63.44 H new ATOM 0 HG13 VAL A 77 -1.157 5.945 -10.194 1.00 63.44 H new ATOM 0 HG21 VAL A 77 0.283 7.529 -7.921 1.00 31.35 H new ATOM 0 HG22 VAL A 77 0.935 6.003 -8.565 1.00 31.35 H new ATOM 0 HG23 VAL A 77 1.943 7.470 -8.562 1.00 31.35 H new ATOM 1262 N ASP A 78 0.326 6.123 -13.372 1.00 33.03 N ATOM 1263 CA ASP A 78 -0.216 6.263 -14.741 1.00 25.20 C ATOM 1264 C ASP A 78 -1.366 5.255 -14.942 1.00 33.10 C ATOM 1265 O ASP A 78 -1.160 4.051 -14.755 1.00 42.54 O ATOM 1266 CB ASP A 78 0.911 6.026 -15.783 1.00 21.31 C ATOM 1267 CG ASP A 78 0.444 6.225 -17.236 1.00 1.25 C ATOM 1268 OD1 ASP A 78 0.433 7.381 -17.709 1.00 42.34 O ATOM 1269 OD2 ASP A 78 0.082 5.234 -17.909 1.00 11.22 O ATOM 0 H ASP A 78 0.355 5.158 -13.044 1.00 33.03 H new ATOM 0 HA ASP A 78 -0.604 7.272 -14.880 1.00 25.20 H new ATOM 0 HB2 ASP A 78 1.737 6.707 -15.577 1.00 21.31 H new ATOM 0 HB3 ASP A 78 1.297 5.013 -15.668 1.00 21.31 H new ATOM 1274 N ALA A 79 -2.570 5.757 -15.308 1.00 33.53 N ATOM 1275 CA ALA A 79 -3.787 4.916 -15.524 1.00 34.52 C ATOM 1276 C ALA A 79 -4.279 4.225 -14.206 1.00 55.30 C ATOM 1277 O ALA A 79 -3.570 4.236 -13.192 1.00 24.22 O ATOM 1278 CB ALA A 79 -3.524 3.885 -16.649 1.00 32.41 C ATOM 0 H ALA A 79 -2.732 6.752 -15.463 1.00 33.53 H new ATOM 0 HA ALA A 79 -4.597 5.574 -15.837 1.00 34.52 H new ATOM 0 HB1 ALA A 79 -4.415 3.276 -16.800 1.00 32.41 H new ATOM 0 HB2 ALA A 79 -3.281 4.409 -17.573 1.00 32.41 H new ATOM 0 HB3 ALA A 79 -2.690 3.243 -16.366 1.00 32.41 H new ATOM 1284 N PRO A 80 -5.525 3.632 -14.164 1.00 15.43 N ATOM 1285 CA PRO A 80 -5.955 2.782 -13.011 1.00 0.23 C ATOM 1286 C PRO A 80 -5.123 1.472 -12.850 1.00 73.45 C ATOM 1287 O PRO A 80 -5.220 0.791 -11.830 1.00 53.34 O ATOM 1288 CB PRO A 80 -7.455 2.490 -13.317 1.00 53.33 C ATOM 1289 CG PRO A 80 -7.582 2.669 -14.796 1.00 11.42 C ATOM 1290 CD PRO A 80 -6.636 3.801 -15.149 1.00 65.11 C ATOM 0 HA PRO A 80 -5.799 3.288 -12.058 1.00 0.23 H new ATOM 0 HB2 PRO A 80 -7.731 1.480 -13.015 1.00 53.33 H new ATOM 0 HB3 PRO A 80 -8.110 3.174 -12.778 1.00 53.33 H new ATOM 0 HG2 PRO A 80 -7.316 1.755 -15.326 1.00 11.42 H new ATOM 0 HG3 PRO A 80 -8.607 2.912 -15.075 1.00 11.42 H new ATOM 0 HD2 PRO A 80 -6.280 3.723 -16.176 1.00 65.11 H new ATOM 0 HD3 PRO A 80 -7.117 4.774 -15.051 1.00 65.11 H new ATOM 1298 N TYR A 81 -4.284 1.167 -13.854 1.00 4.25 N ATOM 1299 CA TYR A 81 -3.522 -0.096 -13.942 1.00 53.43 C ATOM 1300 C TYR A 81 -2.109 -0.012 -13.288 1.00 62.24 C ATOM 1301 O TYR A 81 -1.563 -1.039 -12.871 1.00 21.45 O ATOM 1302 CB TYR A 81 -3.401 -0.501 -15.437 1.00 75.34 C ATOM 1303 CG TYR A 81 -4.758 -0.593 -16.165 1.00 2.14 C ATOM 1304 CD1 TYR A 81 -5.588 -1.706 -16.006 1.00 53.04 C ATOM 1305 CD2 TYR A 81 -5.211 0.438 -16.995 1.00 54.21 C ATOM 1306 CE1 TYR A 81 -6.810 -1.790 -16.645 1.00 72.41 C ATOM 1307 CE2 TYR A 81 -6.434 0.356 -17.637 1.00 64.04 C ATOM 1308 CZ TYR A 81 -7.227 -0.759 -17.460 1.00 44.43 C ATOM 1309 OH TYR A 81 -8.444 -0.841 -18.098 1.00 20.14 O ATOM 0 H TYR A 81 -4.112 1.796 -14.638 1.00 4.25 H new ATOM 0 HA TYR A 81 -4.069 -0.852 -13.378 1.00 53.43 H new ATOM 0 HB2 TYR A 81 -2.771 0.225 -15.951 1.00 75.34 H new ATOM 0 HB3 TYR A 81 -2.897 -1.465 -15.504 1.00 75.34 H new ATOM 0 HD1 TYR A 81 -5.267 -2.518 -15.370 1.00 53.04 H new ATOM 0 HD2 TYR A 81 -4.595 1.314 -17.137 1.00 54.21 H new ATOM 0 HE1 TYR A 81 -7.436 -2.659 -16.507 1.00 72.41 H new ATOM 0 HE2 TYR A 81 -6.767 1.162 -18.274 1.00 64.04 H new ATOM 0 HH TYR A 81 -8.588 -0.033 -18.633 1.00 20.14 H new ATOM 1319 N TYR A 82 -1.509 1.198 -13.200 1.00 20.12 N ATOM 1320 CA TYR A 82 -0.099 1.354 -12.724 1.00 33.23 C ATOM 1321 C TYR A 82 0.022 2.383 -11.568 1.00 72.13 C ATOM 1322 O TYR A 82 -0.335 3.561 -11.711 1.00 3.14 O ATOM 1323 CB TYR A 82 0.826 1.746 -13.912 1.00 42.44 C ATOM 1324 CG TYR A 82 2.302 1.994 -13.538 1.00 40.33 C ATOM 1325 CD1 TYR A 82 3.112 0.946 -13.094 1.00 4.13 C ATOM 1326 CD2 TYR A 82 2.878 3.267 -13.623 1.00 4.41 C ATOM 1327 CE1 TYR A 82 4.432 1.156 -12.752 1.00 42.13 C ATOM 1328 CE2 TYR A 82 4.201 3.477 -13.281 1.00 55.13 C ATOM 1329 CZ TYR A 82 4.976 2.421 -12.847 1.00 52.21 C ATOM 1330 OH TYR A 82 6.297 2.632 -12.503 1.00 35.13 O ATOM 0 H TYR A 82 -1.966 2.076 -13.447 1.00 20.12 H new ATOM 0 HA TYR A 82 0.221 0.392 -12.324 1.00 33.23 H new ATOM 0 HB2 TYR A 82 0.785 0.955 -14.661 1.00 42.44 H new ATOM 0 HB3 TYR A 82 0.429 2.647 -14.379 1.00 42.44 H new ATOM 0 HD1 TYR A 82 2.697 -0.048 -13.017 1.00 4.13 H new ATOM 0 HD2 TYR A 82 2.279 4.099 -13.962 1.00 4.41 H new ATOM 0 HE1 TYR A 82 5.039 0.331 -12.410 1.00 42.13 H new ATOM 0 HE2 TYR A 82 4.628 4.467 -13.353 1.00 55.13 H new ATOM 0 HH TYR A 82 6.589 3.503 -12.844 1.00 35.13 H new ATOM 1340 N ILE A 83 0.554 1.905 -10.422 1.00 31.03 N ATOM 1341 CA ILE A 83 0.895 2.733 -9.239 1.00 51.14 C ATOM 1342 C ILE A 83 2.385 2.496 -8.884 1.00 72.04 C ATOM 1343 O ILE A 83 2.866 1.370 -8.991 1.00 74.51 O ATOM 1344 CB ILE A 83 0.025 2.376 -7.950 1.00 23.34 C ATOM 1345 CG1 ILE A 83 -1.511 2.242 -8.254 1.00 63.33 C ATOM 1346 CG2 ILE A 83 0.266 3.421 -6.826 1.00 13.05 C ATOM 1347 CD1 ILE A 83 -1.946 0.906 -8.855 1.00 15.31 C ATOM 0 H ILE A 83 0.763 0.916 -10.288 1.00 31.03 H new ATOM 0 HA ILE A 83 0.688 3.770 -9.505 1.00 51.14 H new ATOM 0 HB ILE A 83 0.360 1.395 -7.614 1.00 23.34 H new ATOM 0 HG12 ILE A 83 -2.063 2.401 -7.328 1.00 63.33 H new ATOM 0 HG13 ILE A 83 -1.800 3.040 -8.938 1.00 63.33 H new ATOM 0 HG21 ILE A 83 -0.335 3.163 -5.954 1.00 13.05 H new ATOM 0 HG22 ILE A 83 1.321 3.424 -6.552 1.00 13.05 H new ATOM 0 HG23 ILE A 83 -0.019 4.411 -7.182 1.00 13.05 H new ATOM 0 HD11 ILE A 83 -3.022 0.917 -9.026 1.00 15.31 H new ATOM 0 HD12 ILE A 83 -1.430 0.748 -9.802 1.00 15.31 H new ATOM 0 HD13 ILE A 83 -1.697 0.099 -8.166 1.00 15.31 H new ATOM 1359 N GLU A 84 3.117 3.550 -8.498 1.00 55.41 N ATOM 1360 CA GLU A 84 4.474 3.414 -7.901 1.00 52.01 C ATOM 1361 C GLU A 84 4.697 4.486 -6.816 1.00 12.25 C ATOM 1362 O GLU A 84 4.428 5.668 -7.049 1.00 2.24 O ATOM 1363 CB GLU A 84 5.573 3.500 -8.999 1.00 32.35 C ATOM 1364 CG GLU A 84 7.028 3.456 -8.483 1.00 63.11 C ATOM 1365 CD GLU A 84 8.072 3.477 -9.614 1.00 0.35 C ATOM 1366 OE1 GLU A 84 8.065 4.428 -10.413 1.00 23.14 O ATOM 1367 OE2 GLU A 84 8.908 2.549 -9.701 1.00 54.42 O ATOM 0 H GLU A 84 2.799 4.515 -8.585 1.00 55.41 H new ATOM 0 HA GLU A 84 4.544 2.433 -7.432 1.00 52.01 H new ATOM 0 HB2 GLU A 84 5.429 2.677 -9.699 1.00 32.35 H new ATOM 0 HB3 GLU A 84 5.432 4.424 -9.559 1.00 32.35 H new ATOM 0 HG2 GLU A 84 7.199 4.307 -7.823 1.00 63.11 H new ATOM 0 HG3 GLU A 84 7.168 2.556 -7.885 1.00 63.11 H new ATOM 1374 N TYR A 85 5.196 4.063 -5.632 1.00 40.21 N ATOM 1375 CA TYR A 85 5.555 4.989 -4.537 1.00 11.44 C ATOM 1376 C TYR A 85 6.803 4.525 -3.754 1.00 45.14 C ATOM 1377 O TYR A 85 7.313 3.412 -3.927 1.00 72.54 O ATOM 1378 CB TYR A 85 4.358 5.233 -3.568 1.00 13.44 C ATOM 1379 CG TYR A 85 3.864 4.012 -2.760 1.00 13.41 C ATOM 1380 CD1 TYR A 85 2.876 3.162 -3.262 1.00 24.55 C ATOM 1381 CD2 TYR A 85 4.372 3.731 -1.482 1.00 41.44 C ATOM 1382 CE1 TYR A 85 2.419 2.083 -2.526 1.00 11.00 C ATOM 1383 CE2 TYR A 85 3.915 2.653 -0.748 1.00 55.31 C ATOM 1384 CZ TYR A 85 2.939 1.832 -1.274 1.00 33.10 C ATOM 1385 OH TYR A 85 2.484 0.753 -0.545 1.00 32.52 O ATOM 0 H TYR A 85 5.359 3.081 -5.411 1.00 40.21 H new ATOM 0 HA TYR A 85 5.804 5.937 -5.014 1.00 11.44 H new ATOM 0 HB2 TYR A 85 4.643 6.015 -2.864 1.00 13.44 H new ATOM 0 HB3 TYR A 85 3.521 5.618 -4.150 1.00 13.44 H new ATOM 0 HD1 TYR A 85 2.462 3.350 -4.241 1.00 24.55 H new ATOM 0 HD2 TYR A 85 5.135 4.370 -1.064 1.00 41.44 H new ATOM 0 HE1 TYR A 85 1.655 1.437 -2.932 1.00 11.00 H new ATOM 0 HE2 TYR A 85 4.320 2.454 0.233 1.00 55.31 H new ATOM 0 HH TYR A 85 2.954 0.717 0.314 1.00 32.52 H new ATOM 1395 N LEU A 86 7.269 5.425 -2.881 1.00 73.42 N ATOM 1396 CA LEU A 86 8.427 5.227 -2.007 1.00 31.22 C ATOM 1397 C LEU A 86 7.964 5.388 -0.545 1.00 74.43 C ATOM 1398 O LEU A 86 7.420 6.432 -0.193 1.00 52.23 O ATOM 1399 CB LEU A 86 9.496 6.308 -2.333 1.00 13.11 C ATOM 1400 CG LEU A 86 10.028 6.367 -3.804 1.00 40.03 C ATOM 1401 CD1 LEU A 86 10.915 7.615 -4.025 1.00 43.03 C ATOM 1402 CD2 LEU A 86 10.795 5.080 -4.169 1.00 11.41 C ATOM 0 H LEU A 86 6.835 6.340 -2.761 1.00 73.42 H new ATOM 0 HA LEU A 86 8.855 4.236 -2.157 1.00 31.22 H new ATOM 0 HB2 LEU A 86 9.076 7.283 -2.086 1.00 13.11 H new ATOM 0 HB3 LEU A 86 10.348 6.151 -1.672 1.00 13.11 H new ATOM 0 HG LEU A 86 9.165 6.444 -4.465 1.00 40.03 H new ATOM 0 HD11 LEU A 86 11.271 7.631 -5.055 1.00 43.03 H new ATOM 0 HD12 LEU A 86 10.332 8.515 -3.829 1.00 43.03 H new ATOM 0 HD13 LEU A 86 11.768 7.580 -3.347 1.00 43.03 H new ATOM 0 HD21 LEU A 86 11.153 5.149 -5.196 1.00 11.41 H new ATOM 0 HD22 LEU A 86 11.644 4.959 -3.496 1.00 11.41 H new ATOM 0 HD23 LEU A 86 10.131 4.221 -4.073 1.00 11.41 H new ATOM 1414 N ASP A 87 8.176 4.378 0.308 1.00 5.11 N ATOM 1415 CA ASP A 87 7.759 4.469 1.719 1.00 1.25 C ATOM 1416 C ASP A 87 8.914 5.044 2.585 1.00 1.14 C ATOM 1417 O ASP A 87 9.922 4.377 2.846 1.00 61.34 O ATOM 1418 CB ASP A 87 7.310 3.081 2.231 1.00 63.32 C ATOM 1419 CG ASP A 87 6.655 3.155 3.619 1.00 71.24 C ATOM 1420 OD1 ASP A 87 5.464 3.527 3.698 1.00 44.34 O ATOM 1421 OD2 ASP A 87 7.329 2.848 4.632 1.00 42.33 O ATOM 0 H ASP A 87 8.627 3.499 0.054 1.00 5.11 H new ATOM 0 HA ASP A 87 6.911 5.149 1.798 1.00 1.25 H new ATOM 0 HB2 ASP A 87 6.606 2.645 1.522 1.00 63.32 H new ATOM 0 HB3 ASP A 87 8.172 2.416 2.274 1.00 63.32 H new ATOM 1426 N TYR A 88 8.755 6.315 2.985 1.00 31.22 N ATOM 1427 CA TYR A 88 9.662 7.005 3.923 1.00 31.31 C ATOM 1428 C TYR A 88 8.945 7.139 5.277 1.00 61.21 C ATOM 1429 O TYR A 88 7.896 7.772 5.349 1.00 33.12 O ATOM 1430 CB TYR A 88 10.040 8.425 3.383 1.00 0.23 C ATOM 1431 CG TYR A 88 11.051 8.444 2.219 1.00 20.11 C ATOM 1432 CD1 TYR A 88 10.746 7.878 0.981 1.00 13.30 C ATOM 1433 CD2 TYR A 88 12.316 9.030 2.366 1.00 23.42 C ATOM 1434 CE1 TYR A 88 11.658 7.900 -0.058 1.00 11.15 C ATOM 1435 CE2 TYR A 88 13.223 9.051 1.328 1.00 51.21 C ATOM 1436 CZ TYR A 88 12.889 8.485 0.118 1.00 12.03 C ATOM 1437 OH TYR A 88 13.792 8.507 -0.923 1.00 24.02 O ATOM 0 H TYR A 88 7.985 6.902 2.664 1.00 31.22 H new ATOM 0 HA TYR A 88 10.581 6.429 4.033 1.00 31.31 H new ATOM 0 HB2 TYR A 88 9.128 8.926 3.058 1.00 0.23 H new ATOM 0 HB3 TYR A 88 10.449 9.011 4.206 1.00 0.23 H new ATOM 0 HD1 TYR A 88 9.782 7.415 0.832 1.00 13.30 H new ATOM 0 HD2 TYR A 88 12.586 9.474 3.313 1.00 23.42 H new ATOM 0 HE1 TYR A 88 11.403 7.457 -1.009 1.00 11.15 H new ATOM 0 HE2 TYR A 88 14.191 9.509 1.463 1.00 51.21 H new ATOM 0 HH TYR A 88 14.613 8.958 -0.635 1.00 24.02 H new ATOM 1447 N PHE A 89 9.496 6.534 6.344 1.00 33.33 N ATOM 1448 CA PHE A 89 9.011 6.776 7.724 1.00 60.13 C ATOM 1449 C PHE A 89 9.182 8.276 8.074 1.00 54.15 C ATOM 1450 O PHE A 89 10.063 8.934 7.532 1.00 42.42 O ATOM 1451 CB PHE A 89 9.783 5.872 8.720 1.00 42.32 C ATOM 1452 CG PHE A 89 9.354 5.991 10.185 1.00 41.21 C ATOM 1453 CD1 PHE A 89 8.080 5.592 10.592 1.00 42.34 C ATOM 1454 CD2 PHE A 89 10.216 6.514 11.147 1.00 74.11 C ATOM 1455 CE1 PHE A 89 7.688 5.710 11.915 1.00 44.51 C ATOM 1456 CE2 PHE A 89 9.825 6.633 12.465 1.00 32.40 C ATOM 1457 CZ PHE A 89 8.561 6.232 12.850 1.00 30.43 C ATOM 0 H PHE A 89 10.273 5.877 6.283 1.00 33.33 H new ATOM 0 HA PHE A 89 7.953 6.525 7.795 1.00 60.13 H new ATOM 0 HB2 PHE A 89 9.666 4.834 8.408 1.00 42.32 H new ATOM 0 HB3 PHE A 89 10.845 6.108 8.650 1.00 42.32 H new ATOM 0 HD1 PHE A 89 7.391 5.186 9.866 1.00 42.34 H new ATOM 0 HD2 PHE A 89 11.206 6.831 10.856 1.00 74.11 H new ATOM 0 HE1 PHE A 89 6.700 5.394 12.216 1.00 44.51 H new ATOM 0 HE2 PHE A 89 10.508 7.040 13.196 1.00 32.40 H new ATOM 0 HZ PHE A 89 8.255 6.326 13.881 1.00 30.43 H new ATOM 1467 N ALA A 90 8.320 8.834 8.935 1.00 42.44 N ATOM 1468 CA ALA A 90 8.411 10.264 9.310 1.00 62.11 C ATOM 1469 C ALA A 90 9.060 10.445 10.696 1.00 65.24 C ATOM 1470 O ALA A 90 8.826 9.659 11.616 1.00 3.33 O ATOM 1471 CB ALA A 90 7.035 10.943 9.248 1.00 43.44 C ATOM 0 H ALA A 90 7.557 8.328 9.385 1.00 42.44 H new ATOM 0 HA ALA A 90 9.057 10.753 8.581 1.00 62.11 H new ATOM 0 HB1 ALA A 90 7.134 11.992 9.528 1.00 43.44 H new ATOM 0 HB2 ALA A 90 6.641 10.874 8.234 1.00 43.44 H new ATOM 0 HB3 ALA A 90 6.353 10.446 9.937 1.00 43.44 H new ATOM 1477 N THR A 91 9.855 11.524 10.825 1.00 2.00 N ATOM 1478 CA THR A 91 10.598 11.891 12.061 1.00 12.13 C ATOM 1479 C THR A 91 9.664 12.246 13.252 1.00 4.43 C ATOM 1480 O THR A 91 10.124 12.312 14.397 1.00 33.53 O ATOM 1481 CB THR A 91 11.508 13.140 11.792 1.00 51.20 C ATOM 1482 OG1 THR A 91 10.691 14.298 11.505 1.00 10.54 O ATOM 1483 CG2 THR A 91 12.462 12.930 10.616 1.00 31.02 C ATOM 0 H THR A 91 10.007 12.183 10.061 1.00 2.00 H new ATOM 0 HA THR A 91 11.185 11.012 12.328 1.00 12.13 H new ATOM 0 HB THR A 91 12.099 13.291 12.695 1.00 51.20 H new ATOM 0 HG1 THR A 91 11.230 14.971 11.038 1.00 10.54 H new ATOM 0 HG21 THR A 91 13.068 13.825 10.474 1.00 31.02 H new ATOM 0 HG22 THR A 91 13.113 12.080 10.823 1.00 31.02 H new ATOM 0 HG23 THR A 91 11.887 12.735 9.711 1.00 31.02 H new ATOM 1491 N SER A 92 8.377 12.538 12.934 1.00 54.13 N ATOM 1492 CA SER A 92 7.347 13.084 13.868 1.00 44.20 C ATOM 1493 C SER A 92 7.525 14.609 14.098 1.00 42.32 C ATOM 1494 O SER A 92 6.676 15.248 14.716 1.00 32.01 O ATOM 1495 CB SER A 92 7.259 12.306 15.216 1.00 33.55 C ATOM 1496 OG SER A 92 7.019 10.929 14.986 1.00 41.32 O ATOM 0 H SER A 92 8.012 12.397 11.992 1.00 54.13 H new ATOM 0 HA SER A 92 6.389 12.933 13.371 1.00 44.20 H new ATOM 0 HB2 SER A 92 8.187 12.430 15.774 1.00 33.55 H new ATOM 0 HB3 SER A 92 6.460 12.722 15.830 1.00 33.55 H new ATOM 0 HG SER A 92 6.066 10.789 14.803 1.00 41.32 H new ATOM 1502 N LYS A 93 8.640 15.177 13.585 1.00 25.41 N ATOM 1503 CA LYS A 93 8.867 16.639 13.513 1.00 62.14 C ATOM 1504 C LYS A 93 8.157 17.241 12.273 1.00 31.12 C ATOM 1505 O LYS A 93 7.765 18.409 12.277 1.00 21.14 O ATOM 1506 CB LYS A 93 10.390 16.933 13.448 1.00 70.13 C ATOM 1507 CG LYS A 93 11.210 16.426 14.657 1.00 34.32 C ATOM 1508 CD LYS A 93 10.862 17.166 15.968 1.00 64.35 C ATOM 1509 CE LYS A 93 11.760 16.746 17.144 1.00 35.31 C ATOM 1510 NZ LYS A 93 11.495 17.559 18.358 1.00 33.50 N ATOM 0 H LYS A 93 9.413 14.630 13.207 1.00 25.41 H new ATOM 0 HA LYS A 93 8.450 17.101 14.408 1.00 62.14 H new ATOM 0 HB2 LYS A 93 10.793 16.482 12.541 1.00 70.13 H new ATOM 0 HB3 LYS A 93 10.533 18.010 13.358 1.00 70.13 H new ATOM 0 HG2 LYS A 93 11.032 15.359 14.789 1.00 34.32 H new ATOM 0 HG3 LYS A 93 12.273 16.548 14.447 1.00 34.32 H new ATOM 0 HD2 LYS A 93 10.957 18.240 15.810 1.00 64.35 H new ATOM 0 HD3 LYS A 93 9.820 16.972 16.224 1.00 64.35 H new ATOM 0 HE2 LYS A 93 11.595 15.692 17.369 1.00 35.31 H new ATOM 0 HE3 LYS A 93 12.806 16.851 16.858 1.00 35.31 H new ATOM 0 HZ1 LYS A 93 12.119 17.246 19.129 1.00 33.50 H new ATOM 0 HZ2 LYS A 93 11.677 18.562 18.151 1.00 33.50 H new ATOM 0 HZ3 LYS A 93 10.503 17.439 18.646 1.00 33.50 H new ATOM 1524 N GLY A 94 8.042 16.426 11.197 1.00 10.53 N ATOM 1525 CA GLY A 94 7.247 16.786 10.005 1.00 22.42 C ATOM 1526 C GLY A 94 7.946 16.543 8.665 1.00 2.51 C ATOM 1527 O GLY A 94 7.597 17.180 7.664 1.00 61.25 O ATOM 0 H GLY A 94 8.492 15.513 11.133 1.00 10.53 H new ATOM 0 HA2 GLY A 94 6.317 16.217 10.021 1.00 22.42 H new ATOM 0 HA3 GLY A 94 6.977 17.840 10.071 1.00 22.42 H new ATOM 1531 N GLU A 95 8.917 15.611 8.627 1.00 42.41 N ATOM 1532 CA GLU A 95 9.627 15.239 7.371 1.00 71.50 C ATOM 1533 C GLU A 95 10.031 13.750 7.381 1.00 51.11 C ATOM 1534 O GLU A 95 9.682 13.017 8.300 1.00 64.35 O ATOM 1535 CB GLU A 95 10.878 16.138 7.153 1.00 21.04 C ATOM 1536 CG GLU A 95 11.988 15.963 8.205 1.00 32.44 C ATOM 1537 CD GLU A 95 13.208 16.859 7.936 1.00 41.11 C ATOM 1538 OE1 GLU A 95 14.099 16.456 7.147 1.00 20.43 O ATOM 1539 OE2 GLU A 95 13.268 17.979 8.500 1.00 33.52 O ATOM 0 H GLU A 95 9.234 15.097 9.449 1.00 42.41 H new ATOM 0 HA GLU A 95 8.938 15.400 6.542 1.00 71.50 H new ATOM 0 HB2 GLU A 95 11.293 15.926 6.168 1.00 21.04 H new ATOM 0 HB3 GLU A 95 10.562 17.181 7.148 1.00 21.04 H new ATOM 0 HG2 GLU A 95 11.586 16.191 9.192 1.00 32.44 H new ATOM 0 HG3 GLU A 95 12.305 14.920 8.222 1.00 32.44 H new ATOM 1546 N LYS A 96 10.744 13.314 6.324 1.00 44.50 N ATOM 1547 CA LYS A 96 11.270 11.928 6.207 1.00 31.41 C ATOM 1548 C LYS A 96 12.400 11.615 7.238 1.00 61.10 C ATOM 1549 O LYS A 96 13.197 12.482 7.603 1.00 23.43 O ATOM 1550 CB LYS A 96 11.743 11.629 4.737 1.00 43.34 C ATOM 1551 CG LYS A 96 12.453 12.789 3.977 1.00 44.42 C ATOM 1552 CD LYS A 96 13.778 13.251 4.625 1.00 2.45 C ATOM 1553 CE LYS A 96 14.307 14.553 4.019 1.00 34.31 C ATOM 1554 NZ LYS A 96 15.413 15.140 4.826 1.00 33.02 N ATOM 0 H LYS A 96 10.974 13.906 5.526 1.00 44.50 H new ATOM 0 HA LYS A 96 10.443 11.260 6.448 1.00 31.41 H new ATOM 0 HB2 LYS A 96 12.421 10.776 4.765 1.00 43.34 H new ATOM 0 HB3 LYS A 96 10.873 11.325 4.156 1.00 43.34 H new ATOM 0 HG2 LYS A 96 12.653 12.470 2.954 1.00 44.42 H new ATOM 0 HG3 LYS A 96 11.774 13.640 3.918 1.00 44.42 H new ATOM 0 HD2 LYS A 96 13.626 13.388 5.696 1.00 2.45 H new ATOM 0 HD3 LYS A 96 14.528 12.469 4.507 1.00 2.45 H new ATOM 0 HE2 LYS A 96 14.660 14.363 3.005 1.00 34.31 H new ATOM 0 HE3 LYS A 96 13.493 15.274 3.943 1.00 34.31 H new ATOM 0 HZ1 LYS A 96 15.938 15.826 4.248 1.00 33.02 H new ATOM 0 HZ2 LYS A 96 15.018 15.621 5.659 1.00 33.02 H new ATOM 0 HZ3 LYS A 96 16.056 14.384 5.135 1.00 33.02 H new ATOM 1568 N ASP A 97 12.442 10.353 7.672 1.00 50.11 N ATOM 1569 CA ASP A 97 13.423 9.823 8.637 1.00 13.15 C ATOM 1570 C ASP A 97 14.677 9.292 7.905 1.00 4.25 C ATOM 1571 O ASP A 97 14.590 8.772 6.783 1.00 22.21 O ATOM 1572 CB ASP A 97 12.750 8.704 9.475 1.00 23.23 C ATOM 1573 CG ASP A 97 13.707 7.982 10.435 1.00 53.54 C ATOM 1574 OD1 ASP A 97 14.227 8.625 11.375 1.00 24.03 O ATOM 1575 OD2 ASP A 97 13.962 6.774 10.245 1.00 35.42 O ATOM 0 H ASP A 97 11.777 9.647 7.356 1.00 50.11 H new ATOM 0 HA ASP A 97 13.749 10.622 9.303 1.00 13.15 H new ATOM 0 HB2 ASP A 97 11.932 9.137 10.051 1.00 23.23 H new ATOM 0 HB3 ASP A 97 12.310 7.972 8.798 1.00 23.23 H new ATOM 1580 N THR A 98 15.839 9.435 8.559 1.00 44.34 N ATOM 1581 CA THR A 98 17.148 9.011 8.019 1.00 25.12 C ATOM 1582 C THR A 98 17.721 7.783 8.766 1.00 71.22 C ATOM 1583 O THR A 98 18.759 7.246 8.365 1.00 0.51 O ATOM 1584 CB THR A 98 18.176 10.189 8.095 1.00 42.21 C ATOM 1585 OG1 THR A 98 18.371 10.586 9.466 1.00 31.43 O ATOM 1586 CG2 THR A 98 17.720 11.416 7.278 1.00 62.05 C ATOM 0 H THR A 98 15.902 9.852 9.488 1.00 44.34 H new ATOM 0 HA THR A 98 16.984 8.726 6.980 1.00 25.12 H new ATOM 0 HB THR A 98 19.110 9.825 7.668 1.00 42.21 H new ATOM 0 HG1 THR A 98 19.017 11.322 9.505 1.00 31.43 H new ATOM 0 HG21 THR A 98 18.466 12.207 7.362 1.00 62.05 H new ATOM 0 HG22 THR A 98 17.606 11.134 6.231 1.00 62.05 H new ATOM 0 HG23 THR A 98 16.766 11.775 7.663 1.00 62.05 H new ATOM 1594 N SER A 99 17.055 7.352 9.864 1.00 74.31 N ATOM 1595 CA SER A 99 17.458 6.140 10.635 1.00 43.44 C ATOM 1596 C SER A 99 17.189 4.859 9.816 1.00 2.33 C ATOM 1597 O SER A 99 17.889 3.850 9.964 1.00 64.53 O ATOM 1598 CB SER A 99 16.707 6.078 11.984 1.00 55.34 C ATOM 1599 OG SER A 99 16.863 7.285 12.715 1.00 45.24 O ATOM 0 H SER A 99 16.233 7.824 10.241 1.00 74.31 H new ATOM 0 HA SER A 99 18.527 6.206 10.835 1.00 43.44 H new ATOM 0 HB2 SER A 99 15.648 5.892 11.805 1.00 55.34 H new ATOM 0 HB3 SER A 99 17.082 5.242 12.574 1.00 55.34 H new ATOM 0 HG SER A 99 16.163 7.919 12.454 1.00 45.24 H new ATOM 1605 N MET A 100 16.151 4.918 8.964 1.00 51.43 N ATOM 1606 CA MET A 100 15.873 3.900 7.933 1.00 13.44 C ATOM 1607 C MET A 100 15.941 4.559 6.521 1.00 61.25 C ATOM 1608 O MET A 100 15.609 5.745 6.379 1.00 22.05 O ATOM 1609 CB MET A 100 14.481 3.242 8.170 1.00 65.01 C ATOM 1610 CG MET A 100 13.269 4.169 8.008 1.00 14.22 C ATOM 1611 SD MET A 100 11.699 3.272 8.085 1.00 52.04 S ATOM 1612 CE MET A 100 11.744 2.297 6.574 1.00 32.04 C ATOM 0 H MET A 100 15.474 5.681 8.971 1.00 51.43 H new ATOM 0 HA MET A 100 16.626 3.114 7.995 1.00 13.44 H new ATOM 0 HB2 MET A 100 14.372 2.408 7.477 1.00 65.01 H new ATOM 0 HB3 MET A 100 14.464 2.825 9.177 1.00 65.01 H new ATOM 0 HG2 MET A 100 13.289 4.929 8.789 1.00 14.22 H new ATOM 0 HG3 MET A 100 13.339 4.691 7.054 1.00 14.22 H new ATOM 0 HE1 MET A 100 10.735 1.970 6.322 1.00 32.04 H new ATOM 0 HE2 MET A 100 12.143 2.904 5.761 1.00 32.04 H new ATOM 0 HE3 MET A 100 12.381 1.425 6.722 1.00 32.04 H new ATOM 1622 N PRO A 101 16.386 3.816 5.455 1.00 25.12 N ATOM 1623 CA PRO A 101 16.379 4.336 4.065 1.00 64.43 C ATOM 1624 C PRO A 101 14.975 4.253 3.404 1.00 13.51 C ATOM 1625 O PRO A 101 14.040 3.647 3.960 1.00 70.43 O ATOM 1626 CB PRO A 101 17.412 3.421 3.361 1.00 65.22 C ATOM 1627 CG PRO A 101 17.289 2.106 4.071 1.00 53.53 C ATOM 1628 CD PRO A 101 16.942 2.434 5.516 1.00 13.21 C ATOM 0 HA PRO A 101 16.626 5.396 4.004 1.00 64.43 H new ATOM 0 HB2 PRO A 101 17.194 3.321 2.298 1.00 65.22 H new ATOM 0 HB3 PRO A 101 18.421 3.824 3.443 1.00 65.22 H new ATOM 0 HG2 PRO A 101 16.515 1.489 3.615 1.00 53.53 H new ATOM 0 HG3 PRO A 101 18.221 1.543 4.013 1.00 53.53 H new ATOM 0 HD2 PRO A 101 16.215 1.730 5.920 1.00 13.21 H new ATOM 0 HD3 PRO A 101 17.822 2.387 6.157 1.00 13.21 H new ATOM 1636 N GLY A 102 14.849 4.864 2.210 1.00 14.51 N ATOM 1637 CA GLY A 102 13.587 4.896 1.469 1.00 20.15 C ATOM 1638 C GLY A 102 13.187 3.534 0.897 1.00 25.02 C ATOM 1639 O GLY A 102 13.821 3.037 -0.044 1.00 4.32 O ATOM 0 H GLY A 102 15.617 5.344 1.740 1.00 14.51 H new ATOM 0 HA2 GLY A 102 12.795 5.252 2.128 1.00 20.15 H new ATOM 0 HA3 GLY A 102 13.670 5.615 0.654 1.00 20.15 H new ATOM 1643 N MET A 103 12.154 2.921 1.500 1.00 2.41 N ATOM 1644 CA MET A 103 11.499 1.700 0.974 1.00 61.10 C ATOM 1645 C MET A 103 10.815 2.010 -0.392 1.00 53.23 C ATOM 1646 O MET A 103 10.500 3.166 -0.680 1.00 31.24 O ATOM 1647 CB MET A 103 10.474 1.187 2.032 1.00 73.32 C ATOM 1648 CG MET A 103 9.627 -0.019 1.610 1.00 24.21 C ATOM 1649 SD MET A 103 10.629 -1.423 1.097 1.00 33.14 S ATOM 1650 CE MET A 103 9.374 -2.574 0.541 1.00 73.04 C ATOM 0 H MET A 103 11.744 3.257 2.371 1.00 2.41 H new ATOM 0 HA MET A 103 12.237 0.917 0.797 1.00 61.10 H new ATOM 0 HB2 MET A 103 11.018 0.925 2.940 1.00 73.32 H new ATOM 0 HB3 MET A 103 9.803 2.007 2.287 1.00 73.32 H new ATOM 0 HG2 MET A 103 8.988 -0.318 2.441 1.00 24.21 H new ATOM 0 HG3 MET A 103 8.970 0.272 0.791 1.00 24.21 H new ATOM 0 HE1 MET A 103 9.442 -3.495 1.121 1.00 73.04 H new ATOM 0 HE2 MET A 103 8.388 -2.131 0.678 1.00 73.04 H new ATOM 0 HE3 MET A 103 9.527 -2.798 -0.515 1.00 73.04 H new ATOM 1660 N HIS A 104 10.605 0.985 -1.241 1.00 24.34 N ATOM 1661 CA HIS A 104 10.035 1.176 -2.600 1.00 44.54 C ATOM 1662 C HIS A 104 9.030 0.055 -2.965 1.00 30.34 C ATOM 1663 O HIS A 104 9.390 -1.120 -3.007 1.00 71.21 O ATOM 1664 CB HIS A 104 11.205 1.252 -3.621 1.00 23.23 C ATOM 1665 CG HIS A 104 10.813 1.264 -5.081 1.00 21.31 C ATOM 1666 ND1 HIS A 104 11.406 0.444 -6.015 1.00 12.04 N ATOM 1667 CD2 HIS A 104 9.921 2.017 -5.771 1.00 62.31 C ATOM 1668 CE1 HIS A 104 10.900 0.690 -7.199 1.00 23.14 C ATOM 1669 NE2 HIS A 104 9.997 1.638 -7.081 1.00 1.25 N ATOM 0 H HIS A 104 10.820 0.014 -1.015 1.00 24.34 H new ATOM 0 HA HIS A 104 9.470 2.108 -2.626 1.00 44.54 H new ATOM 0 HB2 HIS A 104 11.784 2.152 -3.414 1.00 23.23 H new ATOM 0 HB3 HIS A 104 11.866 0.402 -3.450 1.00 23.23 H new ATOM 0 HD2 HIS A 104 9.271 2.776 -5.361 1.00 62.31 H new ATOM 0 HE1 HIS A 104 11.179 0.196 -8.118 1.00 23.14 H new ATOM 0 HE2 HIS A 104 9.443 2.027 -7.844 1.00 1.25 H new ATOM 1678 N ILE A 105 7.760 0.443 -3.210 1.00 62.40 N ATOM 1679 CA ILE A 105 6.707 -0.459 -3.743 1.00 0.22 C ATOM 1680 C ILE A 105 6.256 0.060 -5.127 1.00 23.21 C ATOM 1681 O ILE A 105 5.829 1.211 -5.247 1.00 32.35 O ATOM 1682 CB ILE A 105 5.411 -0.561 -2.819 1.00 73.34 C ATOM 1683 CG1 ILE A 105 5.693 -1.174 -1.417 1.00 11.10 C ATOM 1684 CG2 ILE A 105 4.319 -1.416 -3.510 1.00 62.14 C ATOM 1685 CD1 ILE A 105 6.510 -0.320 -0.461 1.00 14.45 C ATOM 0 H ILE A 105 7.431 1.394 -3.044 1.00 62.40 H new ATOM 0 HA ILE A 105 7.154 -1.452 -3.791 1.00 0.22 H new ATOM 0 HB ILE A 105 5.074 0.466 -2.674 1.00 73.34 H new ATOM 0 HG12 ILE A 105 4.737 -1.399 -0.943 1.00 11.10 H new ATOM 0 HG13 ILE A 105 6.211 -2.123 -1.556 1.00 11.10 H new ATOM 0 HG21 ILE A 105 3.442 -1.475 -2.866 1.00 62.14 H new ATOM 0 HG22 ILE A 105 4.042 -0.956 -4.458 1.00 62.14 H new ATOM 0 HG23 ILE A 105 4.704 -2.419 -3.692 1.00 62.14 H new ATOM 0 HD11 ILE A 105 6.641 -0.852 0.481 1.00 14.45 H new ATOM 0 HD12 ILE A 105 7.486 -0.115 -0.900 1.00 14.45 H new ATOM 0 HD13 ILE A 105 5.990 0.620 -0.278 1.00 14.45 H new ATOM 1697 N THR A 106 6.355 -0.785 -6.158 1.00 64.51 N ATOM 1698 CA THR A 106 5.753 -0.516 -7.483 1.00 33.42 C ATOM 1699 C THR A 106 4.649 -1.546 -7.741 1.00 32.13 C ATOM 1700 O THR A 106 4.944 -2.720 -7.917 1.00 4.32 O ATOM 1701 CB THR A 106 6.813 -0.617 -8.631 1.00 21.52 C ATOM 1702 OG1 THR A 106 7.949 0.192 -8.314 1.00 15.01 O ATOM 1703 CG2 THR A 106 6.242 -0.172 -9.989 1.00 24.33 C ATOM 0 H THR A 106 6.852 -1.674 -6.106 1.00 64.51 H new ATOM 0 HA THR A 106 5.352 0.498 -7.476 1.00 33.42 H new ATOM 0 HB THR A 106 7.102 -1.665 -8.713 1.00 21.52 H new ATOM 0 HG1 THR A 106 8.042 0.902 -8.983 1.00 15.01 H new ATOM 0 HG21 THR A 106 7.013 -0.259 -10.754 1.00 24.33 H new ATOM 0 HG22 THR A 106 5.395 -0.806 -10.253 1.00 24.33 H new ATOM 0 HG23 THR A 106 5.912 0.865 -9.923 1.00 24.33 H new ATOM 1711 N LEU A 107 3.385 -1.115 -7.817 1.00 25.13 N ATOM 1712 CA LEU A 107 2.253 -2.043 -8.021 1.00 20.30 C ATOM 1713 C LEU A 107 1.828 -2.003 -9.506 1.00 34.11 C ATOM 1714 O LEU A 107 1.299 -0.999 -9.994 1.00 62.52 O ATOM 1715 CB LEU A 107 1.042 -1.711 -7.088 1.00 44.43 C ATOM 1716 CG LEU A 107 1.362 -1.337 -5.589 1.00 72.20 C ATOM 1717 CD1 LEU A 107 1.735 0.154 -5.455 1.00 2.21 C ATOM 1718 CD2 LEU A 107 0.179 -1.697 -4.651 1.00 32.40 C ATOM 0 H LEU A 107 3.115 -0.134 -7.741 1.00 25.13 H new ATOM 0 HA LEU A 107 2.582 -3.048 -7.758 1.00 20.30 H new ATOM 0 HB2 LEU A 107 0.492 -0.881 -7.532 1.00 44.43 H new ATOM 0 HB3 LEU A 107 0.373 -2.572 -7.085 1.00 44.43 H new ATOM 0 HG LEU A 107 2.223 -1.929 -5.281 1.00 72.20 H new ATOM 0 HD11 LEU A 107 1.950 0.383 -4.411 1.00 2.21 H new ATOM 0 HD12 LEU A 107 2.616 0.365 -6.062 1.00 2.21 H new ATOM 0 HD13 LEU A 107 0.903 0.769 -5.797 1.00 2.21 H new ATOM 0 HD21 LEU A 107 0.432 -1.427 -3.626 1.00 32.40 H new ATOM 0 HD22 LEU A 107 -0.711 -1.150 -4.961 1.00 32.40 H new ATOM 0 HD23 LEU A 107 -0.016 -2.768 -4.706 1.00 32.40 H new ATOM 1730 N ASN A 108 2.076 -3.116 -10.209 1.00 51.41 N ATOM 1731 CA ASN A 108 1.814 -3.269 -11.653 1.00 40.12 C ATOM 1732 C ASN A 108 0.640 -4.248 -11.875 1.00 15.44 C ATOM 1733 O ASN A 108 0.603 -5.322 -11.263 1.00 61.31 O ATOM 1734 CB ASN A 108 3.094 -3.802 -12.352 1.00 52.01 C ATOM 1735 CG ASN A 108 4.352 -2.995 -12.019 1.00 4.33 C ATOM 1736 OD1 ASN A 108 5.067 -3.290 -11.063 1.00 22.14 O ATOM 1737 ND2 ASN A 108 4.643 -1.985 -12.803 1.00 32.22 N ATOM 0 H ASN A 108 2.472 -3.954 -9.784 1.00 51.41 H new ATOM 0 HA ASN A 108 1.546 -2.302 -12.079 1.00 40.12 H new ATOM 0 HB2 ASN A 108 3.251 -4.841 -12.062 1.00 52.01 H new ATOM 0 HB3 ASN A 108 2.940 -3.792 -13.431 1.00 52.01 H new ATOM 0 HD21 ASN A 108 5.477 -1.426 -12.626 1.00 32.22 H new ATOM 0 HD22 ASN A 108 4.035 -1.759 -13.590 1.00 32.22 H new ATOM 1744 N PHE A 109 -0.313 -3.866 -12.743 1.00 5.12 N ATOM 1745 CA PHE A 109 -1.502 -4.688 -13.049 1.00 54.44 C ATOM 1746 C PHE A 109 -1.105 -6.056 -13.656 1.00 44.30 C ATOM 1747 O PHE A 109 -0.473 -6.117 -14.720 1.00 41.13 O ATOM 1748 CB PHE A 109 -2.441 -3.920 -14.004 1.00 44.32 C ATOM 1749 CG PHE A 109 -3.832 -4.530 -14.145 1.00 72.41 C ATOM 1750 CD1 PHE A 109 -4.681 -4.595 -13.043 1.00 31.35 C ATOM 1751 CD2 PHE A 109 -4.290 -5.021 -15.366 1.00 22.04 C ATOM 1752 CE1 PHE A 109 -5.949 -5.129 -13.156 1.00 3.23 C ATOM 1753 CE2 PHE A 109 -5.560 -5.549 -15.480 1.00 55.21 C ATOM 1754 CZ PHE A 109 -6.391 -5.601 -14.374 1.00 31.24 C ATOM 0 H PHE A 109 -0.283 -2.982 -13.252 1.00 5.12 H new ATOM 0 HA PHE A 109 -2.028 -4.886 -12.115 1.00 54.44 H new ATOM 0 HB2 PHE A 109 -2.542 -2.895 -13.648 1.00 44.32 H new ATOM 0 HB3 PHE A 109 -1.977 -3.872 -14.989 1.00 44.32 H new ATOM 0 HD1 PHE A 109 -4.343 -4.223 -12.087 1.00 31.35 H new ATOM 0 HD2 PHE A 109 -3.645 -4.988 -16.232 1.00 22.04 H new ATOM 0 HE1 PHE A 109 -6.594 -5.177 -12.291 1.00 3.23 H new ATOM 0 HE2 PHE A 109 -5.906 -5.922 -16.433 1.00 55.21 H new ATOM 0 HZ PHE A 109 -7.386 -6.011 -14.465 1.00 31.24 H new ATOM 1764 N GLU A 110 -1.463 -7.140 -12.955 1.00 1.11 N ATOM 1765 CA GLU A 110 -1.117 -8.516 -13.355 1.00 25.13 C ATOM 1766 C GLU A 110 -2.040 -9.019 -14.493 1.00 54.15 C ATOM 1767 O GLU A 110 -1.618 -9.127 -15.647 1.00 5.15 O ATOM 1768 CB GLU A 110 -1.190 -9.442 -12.107 1.00 73.14 C ATOM 1769 CG GLU A 110 -0.779 -10.915 -12.336 1.00 44.02 C ATOM 1770 CD GLU A 110 0.643 -11.081 -12.903 1.00 11.43 C ATOM 1771 OE1 GLU A 110 1.607 -10.601 -12.264 1.00 43.41 O ATOM 1772 OE2 GLU A 110 0.807 -11.696 -13.982 1.00 42.14 O ATOM 0 H GLU A 110 -2.003 -7.090 -12.091 1.00 1.11 H new ATOM 0 HA GLU A 110 -0.100 -8.532 -13.748 1.00 25.13 H new ATOM 0 HB2 GLU A 110 -0.551 -9.023 -11.330 1.00 73.14 H new ATOM 0 HB3 GLU A 110 -2.211 -9.425 -11.725 1.00 73.14 H new ATOM 0 HG2 GLU A 110 -0.849 -11.453 -11.391 1.00 44.02 H new ATOM 0 HG3 GLU A 110 -1.490 -11.379 -13.020 1.00 44.02 H new ATOM 1832 N GLY A 114 -11.607 -10.477 -13.923 1.00 32.55 N ATOM 1833 CA GLY A 114 -12.964 -10.017 -13.603 1.00 23.31 C ATOM 1834 C GLY A 114 -12.928 -9.290 -12.269 1.00 64.43 C ATOM 1835 O GLY A 114 -13.460 -8.188 -12.114 1.00 32.21 O ATOM 0 HA2 GLY A 114 -13.333 -9.354 -14.385 1.00 23.31 H new ATOM 0 HA3 GLY A 114 -13.649 -10.864 -13.554 1.00 23.31 H new ATOM 1839 N LYS A 115 -12.279 -9.950 -11.298 1.00 1.45 N ATOM 1840 CA LYS A 115 -11.811 -9.328 -10.050 1.00 54.15 C ATOM 1841 C LYS A 115 -10.429 -8.663 -10.296 1.00 33.22 C ATOM 1842 O LYS A 115 -9.581 -9.235 -11.005 1.00 74.12 O ATOM 1843 CB LYS A 115 -11.689 -10.403 -8.945 1.00 55.12 C ATOM 1844 CG LYS A 115 -13.014 -11.069 -8.508 1.00 53.32 C ATOM 1845 CD LYS A 115 -12.784 -12.255 -7.530 1.00 35.04 C ATOM 1846 CE LYS A 115 -11.949 -11.875 -6.291 1.00 64.41 C ATOM 1847 NZ LYS A 115 -11.807 -13.007 -5.339 1.00 22.54 N ATOM 0 H LYS A 115 -12.061 -10.945 -11.358 1.00 1.45 H new ATOM 0 HA LYS A 115 -12.526 -8.570 -9.729 1.00 54.15 H new ATOM 0 HB2 LYS A 115 -11.011 -11.181 -9.294 1.00 55.12 H new ATOM 0 HB3 LYS A 115 -11.227 -9.947 -8.069 1.00 55.12 H new ATOM 0 HG2 LYS A 115 -13.651 -10.325 -8.030 1.00 53.32 H new ATOM 0 HG3 LYS A 115 -13.547 -11.426 -9.389 1.00 53.32 H new ATOM 0 HD2 LYS A 115 -13.750 -12.639 -7.204 1.00 35.04 H new ATOM 0 HD3 LYS A 115 -12.283 -13.063 -8.063 1.00 35.04 H new ATOM 0 HE2 LYS A 115 -10.960 -11.544 -6.609 1.00 64.41 H new ATOM 0 HE3 LYS A 115 -12.419 -11.033 -5.783 1.00 64.41 H new ATOM 0 HZ1 LYS A 115 -11.238 -12.705 -4.522 1.00 22.54 H new ATOM 0 HZ2 LYS A 115 -12.748 -13.307 -5.014 1.00 22.54 H new ATOM 0 HZ3 LYS A 115 -11.335 -13.803 -5.814 1.00 22.54 H new ATOM 1861 N THR A 116 -10.210 -7.477 -9.703 1.00 52.13 N ATOM 1862 CA THR A 116 -8.959 -6.701 -9.880 1.00 44.05 C ATOM 1863 C THR A 116 -7.732 -7.436 -9.300 1.00 43.35 C ATOM 1864 O THR A 116 -7.740 -7.831 -8.136 1.00 52.12 O ATOM 1865 CB THR A 116 -9.074 -5.296 -9.203 1.00 54.12 C ATOM 1866 OG1 THR A 116 -10.122 -4.545 -9.831 1.00 23.41 O ATOM 1867 CG2 THR A 116 -7.761 -4.485 -9.265 1.00 63.32 C ATOM 0 H THR A 116 -10.889 -7.026 -9.089 1.00 52.13 H new ATOM 0 HA THR A 116 -8.817 -6.584 -10.954 1.00 44.05 H new ATOM 0 HB THR A 116 -9.297 -5.470 -8.150 1.00 54.12 H new ATOM 0 HG1 THR A 116 -10.988 -4.828 -9.470 1.00 23.41 H new ATOM 0 HG21 THR A 116 -7.906 -3.520 -8.779 1.00 63.32 H new ATOM 0 HG22 THR A 116 -6.970 -5.034 -8.754 1.00 63.32 H new ATOM 0 HG23 THR A 116 -7.479 -4.328 -10.306 1.00 63.32 H new ATOM 1875 N THR A 117 -6.676 -7.595 -10.115 1.00 53.24 N ATOM 1876 CA THR A 117 -5.408 -8.214 -9.668 1.00 41.55 C ATOM 1877 C THR A 117 -4.215 -7.294 -9.972 1.00 13.14 C ATOM 1878 O THR A 117 -3.824 -7.128 -11.134 1.00 25.30 O ATOM 1879 CB THR A 117 -5.174 -9.608 -10.333 1.00 63.51 C ATOM 1880 OG1 THR A 117 -6.336 -10.422 -10.136 1.00 75.51 O ATOM 1881 CG2 THR A 117 -3.944 -10.334 -9.742 1.00 1.31 C ATOM 0 H THR A 117 -6.672 -7.303 -11.092 1.00 53.24 H new ATOM 0 HA THR A 117 -5.489 -8.359 -8.591 1.00 41.55 H new ATOM 0 HB THR A 117 -4.988 -9.445 -11.395 1.00 63.51 H new ATOM 0 HG1 THR A 117 -6.195 -11.012 -9.366 1.00 75.51 H new ATOM 0 HG21 THR A 117 -3.820 -11.299 -10.234 1.00 1.31 H new ATOM 0 HG22 THR A 117 -3.052 -9.728 -9.901 1.00 1.31 H new ATOM 0 HG23 THR A 117 -4.091 -10.488 -8.673 1.00 1.31 H new ATOM 1889 N VAL A 118 -3.647 -6.687 -8.917 1.00 33.33 N ATOM 1890 CA VAL A 118 -2.453 -5.831 -9.028 1.00 63.24 C ATOM 1891 C VAL A 118 -1.303 -6.420 -8.160 1.00 61.43 C ATOM 1892 O VAL A 118 -1.477 -6.714 -6.966 1.00 5.24 O ATOM 1893 CB VAL A 118 -2.782 -4.324 -8.653 1.00 44.25 C ATOM 1894 CG1 VAL A 118 -3.133 -4.136 -7.157 1.00 44.02 C ATOM 1895 CG2 VAL A 118 -1.643 -3.368 -9.085 1.00 12.20 C ATOM 0 H VAL A 118 -4.001 -6.775 -7.965 1.00 33.33 H new ATOM 0 HA VAL A 118 -2.120 -5.819 -10.066 1.00 63.24 H new ATOM 0 HB VAL A 118 -3.677 -4.061 -9.217 1.00 44.25 H new ATOM 0 HG11 VAL A 118 -3.348 -3.085 -6.963 1.00 44.02 H new ATOM 0 HG12 VAL A 118 -4.008 -4.737 -6.910 1.00 44.02 H new ATOM 0 HG13 VAL A 118 -2.290 -4.453 -6.543 1.00 44.02 H new ATOM 0 HG21 VAL A 118 -1.903 -2.345 -8.812 1.00 12.20 H new ATOM 0 HG22 VAL A 118 -0.718 -3.653 -8.583 1.00 12.20 H new ATOM 0 HG23 VAL A 118 -1.504 -3.431 -10.164 1.00 12.20 H new ATOM 1905 N THR A 119 -0.162 -6.672 -8.805 1.00 64.44 N ATOM 1906 CA THR A 119 1.041 -7.243 -8.166 1.00 62.31 C ATOM 1907 C THR A 119 1.989 -6.143 -7.640 1.00 54.31 C ATOM 1908 O THR A 119 2.575 -5.395 -8.427 1.00 74.45 O ATOM 1909 CB THR A 119 1.806 -8.136 -9.188 1.00 50.20 C ATOM 1910 OG1 THR A 119 0.956 -9.213 -9.613 1.00 42.20 O ATOM 1911 CG2 THR A 119 3.113 -8.713 -8.614 1.00 65.32 C ATOM 0 H THR A 119 -0.039 -6.485 -9.800 1.00 64.44 H new ATOM 0 HA THR A 119 0.711 -7.840 -7.316 1.00 62.31 H new ATOM 0 HB THR A 119 2.075 -7.501 -10.032 1.00 50.20 H new ATOM 0 HG1 THR A 119 1.312 -9.604 -10.438 1.00 42.20 H new ATOM 0 HG21 THR A 119 3.603 -9.326 -9.370 1.00 65.32 H new ATOM 0 HG22 THR A 119 3.775 -7.897 -8.324 1.00 65.32 H new ATOM 0 HG23 THR A 119 2.888 -9.325 -7.740 1.00 65.32 H new ATOM 1919 N SER A 120 2.139 -6.058 -6.308 1.00 65.33 N ATOM 1920 CA SER A 120 3.101 -5.136 -5.676 1.00 13.30 C ATOM 1921 C SER A 120 4.549 -5.713 -5.741 1.00 34.14 C ATOM 1922 O SER A 120 4.888 -6.691 -5.070 1.00 3.11 O ATOM 1923 CB SER A 120 2.683 -4.853 -4.202 1.00 73.01 C ATOM 1924 OG SER A 120 2.994 -5.920 -3.329 1.00 35.43 O ATOM 0 H SER A 120 1.604 -6.619 -5.644 1.00 65.33 H new ATOM 0 HA SER A 120 3.092 -4.195 -6.226 1.00 13.30 H new ATOM 0 HB2 SER A 120 3.183 -3.949 -3.855 1.00 73.01 H new ATOM 0 HB3 SER A 120 1.611 -4.660 -4.164 1.00 73.01 H new ATOM 0 HG SER A 120 3.802 -6.376 -3.645 1.00 35.43 H new ATOM 1930 N THR A 121 5.371 -5.116 -6.601 1.00 43.43 N ATOM 1931 CA THR A 121 6.825 -5.367 -6.663 1.00 41.12 C ATOM 1932 C THR A 121 7.542 -4.511 -5.585 1.00 73.22 C ATOM 1933 O THR A 121 7.835 -3.327 -5.801 1.00 32.52 O ATOM 1934 CB THR A 121 7.357 -5.010 -8.097 1.00 35.53 C ATOM 1935 OG1 THR A 121 6.571 -5.688 -9.094 1.00 44.21 O ATOM 1936 CG2 THR A 121 8.837 -5.369 -8.294 1.00 13.44 C ATOM 0 H THR A 121 5.050 -4.433 -7.288 1.00 43.43 H new ATOM 0 HA THR A 121 7.029 -6.420 -6.467 1.00 41.12 H new ATOM 0 HB THR A 121 7.265 -3.929 -8.204 1.00 35.53 H new ATOM 0 HG1 THR A 121 6.907 -5.460 -9.986 1.00 44.21 H new ATOM 0 HG21 THR A 121 9.146 -5.099 -9.304 1.00 13.44 H new ATOM 0 HG22 THR A 121 9.443 -4.823 -7.571 1.00 13.44 H new ATOM 0 HG23 THR A 121 8.974 -6.440 -8.147 1.00 13.44 H new ATOM 1944 N SER A 122 7.821 -5.120 -4.420 1.00 73.41 N ATOM 1945 CA SER A 122 8.298 -4.382 -3.222 1.00 73.43 C ATOM 1946 C SER A 122 9.802 -4.616 -2.962 1.00 73.42 C ATOM 1947 O SER A 122 10.188 -5.653 -2.440 1.00 33.13 O ATOM 1948 CB SER A 122 7.464 -4.823 -1.993 1.00 54.23 C ATOM 1949 OG SER A 122 6.081 -4.558 -2.182 1.00 51.52 O ATOM 0 H SER A 122 7.726 -6.125 -4.275 1.00 73.41 H new ATOM 0 HA SER A 122 8.167 -3.315 -3.400 1.00 73.43 H new ATOM 0 HB2 SER A 122 7.611 -5.888 -1.815 1.00 54.23 H new ATOM 0 HB3 SER A 122 7.818 -4.300 -1.105 1.00 54.23 H new ATOM 0 HG SER A 122 5.581 -4.849 -1.391 1.00 51.52 H new ATOM 1955 N THR A 123 10.647 -3.625 -3.306 1.00 61.33 N ATOM 1956 CA THR A 123 12.114 -3.697 -3.088 1.00 62.14 C ATOM 1957 C THR A 123 12.488 -3.136 -1.691 1.00 15.20 C ATOM 1958 O THR A 123 12.446 -1.919 -1.459 1.00 41.13 O ATOM 1959 CB THR A 123 12.912 -2.942 -4.215 1.00 33.11 C ATOM 1960 OG1 THR A 123 12.576 -1.548 -4.233 1.00 60.34 O ATOM 1961 CG2 THR A 123 12.626 -3.539 -5.604 1.00 23.44 C ATOM 0 H THR A 123 10.339 -2.755 -3.741 1.00 61.33 H new ATOM 0 HA THR A 123 12.397 -4.749 -3.133 1.00 62.14 H new ATOM 0 HB THR A 123 13.971 -3.061 -3.987 1.00 33.11 H new ATOM 0 HG1 THR A 123 12.183 -1.318 -5.100 1.00 60.34 H new ATOM 0 HG21 THR A 123 13.193 -2.994 -6.358 1.00 23.44 H new ATOM 0 HG22 THR A 123 12.921 -4.588 -5.617 1.00 23.44 H new ATOM 0 HG23 THR A 123 11.561 -3.458 -5.822 1.00 23.44 H new ATOM 1969 N PHE A 124 12.816 -4.055 -0.765 1.00 4.23 N ATOM 1970 CA PHE A 124 13.171 -3.731 0.645 1.00 13.31 C ATOM 1971 C PHE A 124 14.581 -3.068 0.776 1.00 43.04 C ATOM 1972 O PHE A 124 15.374 -3.129 -0.163 1.00 42.21 O ATOM 1973 CB PHE A 124 13.068 -5.021 1.521 1.00 5.53 C ATOM 1974 CG PHE A 124 11.624 -5.464 1.814 1.00 52.11 C ATOM 1975 CD1 PHE A 124 10.820 -5.997 0.807 1.00 52.54 C ATOM 1976 CD2 PHE A 124 11.070 -5.333 3.093 1.00 72.14 C ATOM 1977 CE1 PHE A 124 9.518 -6.381 1.062 1.00 45.11 C ATOM 1978 CE2 PHE A 124 9.766 -5.725 3.349 1.00 14.43 C ATOM 1979 CZ PHE A 124 8.992 -6.248 2.333 1.00 1.01 C ATOM 0 H PHE A 124 12.845 -5.054 -0.967 1.00 4.23 H new ATOM 0 HA PHE A 124 12.457 -2.991 1.006 1.00 13.31 H new ATOM 0 HB2 PHE A 124 13.591 -5.833 1.016 1.00 5.53 H new ATOM 0 HB3 PHE A 124 13.583 -4.848 2.466 1.00 5.53 H new ATOM 0 HD1 PHE A 124 11.222 -6.111 -0.189 1.00 52.54 H new ATOM 0 HD2 PHE A 124 11.668 -4.920 3.892 1.00 72.14 H new ATOM 0 HE1 PHE A 124 8.910 -6.786 0.267 1.00 45.11 H new ATOM 0 HE2 PHE A 124 9.356 -5.621 4.343 1.00 14.43 H new ATOM 0 HZ PHE A 124 7.975 -6.553 2.531 1.00 1.01 H new ATOM 1989 N PRO A 125 14.888 -2.395 1.957 1.00 43.02 N ATOM 1990 CA PRO A 125 16.215 -1.760 2.240 1.00 30.41 C ATOM 1991 C PRO A 125 17.442 -2.639 1.867 1.00 34.43 C ATOM 1992 O PRO A 125 18.377 -2.174 1.206 1.00 24.34 O ATOM 1993 CB PRO A 125 16.155 -1.534 3.772 1.00 24.44 C ATOM 1994 CG PRO A 125 14.706 -1.273 4.050 1.00 0.31 C ATOM 1995 CD PRO A 125 13.943 -2.166 3.090 1.00 22.24 C ATOM 0 HA PRO A 125 16.359 -0.860 1.643 1.00 30.41 H new ATOM 0 HB2 PRO A 125 16.514 -2.407 4.317 1.00 24.44 H new ATOM 0 HB3 PRO A 125 16.776 -0.691 4.075 1.00 24.44 H new ATOM 0 HG2 PRO A 125 14.457 -1.506 5.085 1.00 0.31 H new ATOM 0 HG3 PRO A 125 14.459 -0.223 3.891 1.00 0.31 H new ATOM 0 HD2 PRO A 125 13.657 -3.105 3.564 1.00 22.24 H new ATOM 0 HD3 PRO A 125 13.024 -1.688 2.750 1.00 22.24 H new ATOM 2003 N THR A 126 17.420 -3.909 2.319 1.00 3.14 N ATOM 2004 CA THR A 126 18.440 -4.937 1.975 1.00 51.10 C ATOM 2005 C THR A 126 17.769 -6.306 1.729 1.00 24.11 C ATOM 2006 O THR A 126 16.584 -6.499 2.038 1.00 14.21 O ATOM 2007 CB THR A 126 19.530 -5.118 3.100 1.00 12.32 C ATOM 2008 OG1 THR A 126 18.902 -5.451 4.349 1.00 60.55 O ATOM 2009 CG2 THR A 126 20.414 -3.872 3.281 1.00 31.14 C ATOM 0 H THR A 126 16.690 -4.259 2.939 1.00 3.14 H new ATOM 0 HA THR A 126 18.933 -4.579 1.071 1.00 51.10 H new ATOM 0 HB THR A 126 20.180 -5.932 2.779 1.00 12.32 H new ATOM 0 HG1 THR A 126 19.588 -5.563 5.040 1.00 60.55 H new ATOM 0 HG21 THR A 126 21.145 -4.056 4.068 1.00 31.14 H new ATOM 0 HG22 THR A 126 20.933 -3.655 2.347 1.00 31.14 H new ATOM 0 HG23 THR A 126 19.791 -3.021 3.556 1.00 31.14 H new ATOM 2017 N GLU A 127 18.552 -7.244 1.163 1.00 21.41 N ATOM 2018 CA GLU A 127 18.142 -8.660 0.973 1.00 55.30 C ATOM 2019 C GLU A 127 17.783 -9.360 2.309 1.00 62.54 C ATOM 2020 O GLU A 127 16.901 -10.215 2.342 1.00 41.21 O ATOM 2021 CB GLU A 127 19.232 -9.474 0.165 1.00 20.04 C ATOM 2022 CG GLU A 127 20.714 -9.059 0.371 1.00 72.50 C ATOM 2023 CD GLU A 127 21.205 -9.118 1.831 1.00 43.22 C ATOM 2024 OE1 GLU A 127 21.514 -10.218 2.324 1.00 44.41 O ATOM 2025 OE2 GLU A 127 21.278 -8.059 2.491 1.00 63.53 O ATOM 0 H GLU A 127 19.492 -7.046 0.821 1.00 21.41 H new ATOM 0 HA GLU A 127 17.230 -8.643 0.377 1.00 55.30 H new ATOM 0 HB2 GLU A 127 19.135 -10.527 0.430 1.00 20.04 H new ATOM 0 HB3 GLU A 127 19.000 -9.390 -0.897 1.00 20.04 H new ATOM 0 HG2 GLU A 127 21.346 -9.707 -0.236 1.00 72.50 H new ATOM 0 HG3 GLU A 127 20.847 -8.043 -0.002 1.00 72.50 H new ATOM 2032 N SER A 128 18.464 -8.967 3.406 1.00 15.54 N ATOM 2033 CA SER A 128 18.198 -9.502 4.763 1.00 2.33 C ATOM 2034 C SER A 128 16.966 -8.824 5.409 1.00 24.43 C ATOM 2035 O SER A 128 16.207 -9.474 6.131 1.00 42.43 O ATOM 2036 CB SER A 128 19.443 -9.340 5.653 1.00 40.11 C ATOM 2037 OG SER A 128 19.241 -9.871 6.953 1.00 64.14 O ATOM 0 H SER A 128 19.211 -8.273 3.379 1.00 15.54 H new ATOM 0 HA SER A 128 17.972 -10.564 4.668 1.00 2.33 H new ATOM 0 HB2 SER A 128 20.291 -9.840 5.185 1.00 40.11 H new ATOM 0 HB3 SER A 128 19.699 -8.283 5.729 1.00 40.11 H new ATOM 0 HG SER A 128 20.054 -9.750 7.486 1.00 64.14 H new ATOM 2043 N ALA A 129 16.759 -7.519 5.125 1.00 53.20 N ATOM 2044 CA ALA A 129 15.552 -6.777 5.587 1.00 20.30 C ATOM 2045 C ALA A 129 14.259 -7.363 4.964 1.00 23.13 C ATOM 2046 O ALA A 129 13.200 -7.391 5.600 1.00 5.00 O ATOM 2047 CB ALA A 129 15.687 -5.281 5.264 1.00 31.14 C ATOM 0 H ALA A 129 17.408 -6.953 4.579 1.00 53.20 H new ATOM 0 HA ALA A 129 15.477 -6.892 6.668 1.00 20.30 H new ATOM 0 HB1 ALA A 129 14.798 -4.753 5.608 1.00 31.14 H new ATOM 0 HB2 ALA A 129 16.566 -4.878 5.768 1.00 31.14 H new ATOM 0 HB3 ALA A 129 15.794 -5.149 4.187 1.00 31.14 H new ATOM 2053 N ALA A 130 14.376 -7.827 3.709 1.00 4.14 N ATOM 2054 CA ALA A 130 13.306 -8.559 3.004 1.00 14.44 C ATOM 2055 C ALA A 130 13.139 -9.982 3.553 1.00 43.31 C ATOM 2056 O ALA A 130 12.022 -10.455 3.765 1.00 60.32 O ATOM 2057 CB ALA A 130 13.632 -8.607 1.515 1.00 21.10 C ATOM 0 H ALA A 130 15.220 -7.705 3.150 1.00 4.14 H new ATOM 0 HA ALA A 130 12.364 -8.034 3.164 1.00 14.44 H new ATOM 0 HB1 ALA A 130 12.845 -9.147 0.988 1.00 21.10 H new ATOM 0 HB2 ALA A 130 13.700 -7.592 1.125 1.00 21.10 H new ATOM 0 HB3 ALA A 130 14.584 -9.117 1.367 1.00 21.10 H new ATOM 2063 N GLN A 131 14.287 -10.638 3.763 1.00 42.21 N ATOM 2064 CA GLN A 131 14.382 -12.007 4.318 1.00 2.21 C ATOM 2065 C GLN A 131 13.601 -12.175 5.638 1.00 32.43 C ATOM 2066 O GLN A 131 12.814 -13.110 5.768 1.00 4.43 O ATOM 2067 CB GLN A 131 15.868 -12.375 4.530 1.00 33.11 C ATOM 2068 CG GLN A 131 16.150 -13.746 5.190 1.00 34.41 C ATOM 2069 CD GLN A 131 16.024 -14.985 4.272 1.00 63.24 C ATOM 2070 OE1 GLN A 131 15.082 -15.012 3.339 1.00 31.21 O flip ATOM 2071 NE2 GLN A 131 16.751 -15.952 4.449 1.00 14.24 N flip ATOM 0 H GLN A 131 15.197 -10.230 3.550 1.00 42.21 H new ATOM 0 HA GLN A 131 13.925 -12.683 3.595 1.00 2.21 H new ATOM 0 HB2 GLN A 131 16.367 -12.353 3.561 1.00 33.11 H new ATOM 0 HB3 GLN A 131 16.328 -11.600 5.143 1.00 33.11 H new ATOM 0 HG2 GLN A 131 17.159 -13.727 5.603 1.00 34.41 H new ATOM 0 HG3 GLN A 131 15.465 -13.870 6.029 1.00 34.41 H new ATOM 0 HE21 GLN A 131 17.473 -15.922 5.169 1.00 14.24 H new ATOM 0 HE22 GLN A 131 16.636 -16.788 3.877 1.00 14.24 H new ATOM 2080 N GLN A 132 13.816 -11.251 6.593 1.00 21.52 N ATOM 2081 CA GLN A 132 13.113 -11.255 7.898 1.00 30.04 C ATOM 2082 C GLN A 132 11.571 -11.165 7.731 1.00 70.42 C ATOM 2083 O GLN A 132 10.832 -11.731 8.535 1.00 64.01 O ATOM 2084 CB GLN A 132 13.645 -10.104 8.820 1.00 22.11 C ATOM 2085 CG GLN A 132 14.809 -10.498 9.761 1.00 53.21 C ATOM 2086 CD GLN A 132 16.058 -11.030 9.043 1.00 22.43 C ATOM 2087 OE1 GLN A 132 16.194 -12.224 8.784 1.00 64.05 O ATOM 2088 NE2 GLN A 132 16.994 -10.157 8.746 1.00 32.13 N ATOM 0 H GLN A 132 14.478 -10.482 6.487 1.00 21.52 H new ATOM 0 HA GLN A 132 13.328 -12.210 8.378 1.00 30.04 H new ATOM 0 HB2 GLN A 132 13.973 -9.277 8.190 1.00 22.11 H new ATOM 0 HB3 GLN A 132 12.818 -9.734 9.426 1.00 22.11 H new ATOM 0 HG2 GLN A 132 15.090 -9.628 10.354 1.00 53.21 H new ATOM 0 HG3 GLN A 132 14.455 -11.258 10.457 1.00 53.21 H new ATOM 0 HE21 GLN A 132 16.861 -9.171 8.970 1.00 32.13 H new ATOM 0 HE22 GLN A 132 17.854 -10.466 8.292 1.00 32.13 H new ATOM 2097 N ALA A 133 11.108 -10.455 6.678 1.00 10.41 N ATOM 2098 CA ALA A 133 9.672 -10.394 6.311 1.00 61.51 C ATOM 2099 C ALA A 133 9.163 -11.762 5.773 1.00 20.11 C ATOM 2100 O ALA A 133 8.036 -12.169 6.068 1.00 33.42 O ATOM 2101 CB ALA A 133 9.425 -9.271 5.285 1.00 44.12 C ATOM 0 H ALA A 133 11.712 -9.911 6.062 1.00 10.41 H new ATOM 0 HA ALA A 133 9.104 -10.167 7.214 1.00 61.51 H new ATOM 0 HB1 ALA A 133 8.366 -9.240 5.027 1.00 44.12 H new ATOM 0 HB2 ALA A 133 9.722 -8.314 5.714 1.00 44.12 H new ATOM 0 HB3 ALA A 133 10.012 -9.463 4.387 1.00 44.12 H new ATOM 2107 N ILE A 134 10.016 -12.462 4.995 1.00 21.23 N ATOM 2108 CA ILE A 134 9.709 -13.817 4.453 1.00 74.43 C ATOM 2109 C ILE A 134 9.536 -14.842 5.603 1.00 40.22 C ATOM 2110 O ILE A 134 8.568 -15.612 5.624 1.00 20.14 O ATOM 2111 CB ILE A 134 10.843 -14.318 3.476 1.00 2.25 C ATOM 2112 CG1 ILE A 134 11.141 -13.247 2.381 1.00 71.15 C ATOM 2113 CG2 ILE A 134 10.473 -15.675 2.823 1.00 45.41 C ATOM 2114 CD1 ILE A 134 12.361 -13.529 1.523 1.00 41.12 C ATOM 0 H ILE A 134 10.934 -12.112 4.722 1.00 21.23 H new ATOM 0 HA ILE A 134 8.776 -13.737 3.895 1.00 74.43 H new ATOM 0 HB ILE A 134 11.745 -14.469 4.069 1.00 2.25 H new ATOM 0 HG12 ILE A 134 10.270 -13.162 1.731 1.00 71.15 H new ATOM 0 HG13 ILE A 134 11.272 -12.280 2.866 1.00 71.15 H new ATOM 0 HG21 ILE A 134 11.276 -15.989 2.157 1.00 45.41 H new ATOM 0 HG22 ILE A 134 10.331 -16.426 3.600 1.00 45.41 H new ATOM 0 HG23 ILE A 134 9.551 -15.565 2.252 1.00 45.41 H new ATOM 0 HD11 ILE A 134 12.485 -12.729 0.793 1.00 41.12 H new ATOM 0 HD12 ILE A 134 13.247 -13.582 2.156 1.00 41.12 H new ATOM 0 HD13 ILE A 134 12.229 -14.478 1.003 1.00 41.12 H new ATOM 2126 N ASP A 135 10.493 -14.821 6.557 1.00 54.50 N ATOM 2127 CA ASP A 135 10.438 -15.651 7.783 1.00 14.11 C ATOM 2128 C ASP A 135 9.214 -15.289 8.663 1.00 23.33 C ATOM 2129 O ASP A 135 8.600 -16.165 9.278 1.00 1.14 O ATOM 2130 CB ASP A 135 11.740 -15.485 8.610 1.00 54.14 C ATOM 2131 CG ASP A 135 12.983 -16.009 7.878 1.00 23.31 C ATOM 2132 OD1 ASP A 135 13.124 -17.245 7.742 1.00 71.24 O ATOM 2133 OD2 ASP A 135 13.821 -15.202 7.434 1.00 2.54 O ATOM 0 H ASP A 135 11.323 -14.231 6.500 1.00 54.50 H new ATOM 0 HA ASP A 135 10.338 -16.690 7.468 1.00 14.11 H new ATOM 0 HB2 ASP A 135 11.882 -14.431 8.847 1.00 54.14 H new ATOM 0 HB3 ASP A 135 11.633 -16.013 9.557 1.00 54.14 H new ATOM 2138 N MET A 136 8.872 -13.985 8.688 1.00 53.44 N ATOM 2139 CA MET A 136 7.711 -13.447 9.441 1.00 31.24 C ATOM 2140 C MET A 136 6.364 -13.917 8.824 1.00 54.02 C ATOM 2141 O MET A 136 5.335 -13.984 9.512 1.00 32.11 O ATOM 2142 CB MET A 136 7.788 -11.891 9.438 1.00 20.11 C ATOM 2143 CG MET A 136 6.792 -11.181 10.363 1.00 50.03 C ATOM 2144 SD MET A 136 7.098 -11.536 12.109 1.00 21.01 S ATOM 2145 CE MET A 136 8.736 -10.830 12.346 1.00 61.44 C ATOM 0 H MET A 136 9.394 -13.268 8.185 1.00 53.44 H new ATOM 0 HA MET A 136 7.751 -13.824 10.463 1.00 31.24 H new ATOM 0 HB2 MET A 136 8.797 -11.594 9.722 1.00 20.11 H new ATOM 0 HB3 MET A 136 7.627 -11.538 8.419 1.00 20.11 H new ATOM 0 HG2 MET A 136 6.851 -10.105 10.198 1.00 50.03 H new ATOM 0 HG3 MET A 136 5.778 -11.488 10.105 1.00 50.03 H new ATOM 0 HE1 MET A 136 8.912 -10.669 13.409 1.00 61.44 H new ATOM 0 HE2 MET A 136 9.488 -11.515 11.953 1.00 61.44 H new ATOM 0 HE3 MET A 136 8.802 -9.878 11.819 1.00 61.44 H new ATOM 2155 N GLY A 137 6.399 -14.255 7.522 1.00 12.14 N ATOM 2156 CA GLY A 137 5.201 -14.629 6.771 1.00 32.42 C ATOM 2157 C GLY A 137 4.581 -13.423 6.073 1.00 21.23 C ATOM 2158 O GLY A 137 3.427 -13.075 6.327 1.00 24.41 O ATOM 0 H GLY A 137 7.256 -14.275 6.970 1.00 12.14 H new ATOM 0 HA2 GLY A 137 5.456 -15.388 6.031 1.00 32.42 H new ATOM 0 HA3 GLY A 137 4.471 -15.075 7.447 1.00 32.42 H new ATOM 2162 N VAL A 138 5.376 -12.781 5.190 1.00 34.11 N ATOM 2163 CA VAL A 138 4.971 -11.568 4.428 1.00 54.53 C ATOM 2164 C VAL A 138 3.717 -11.815 3.535 1.00 64.41 C ATOM 2165 O VAL A 138 2.947 -10.881 3.258 1.00 23.21 O ATOM 2166 CB VAL A 138 6.191 -11.040 3.572 1.00 73.25 C ATOM 2167 CG1 VAL A 138 6.675 -12.092 2.551 1.00 30.41 C ATOM 2168 CG2 VAL A 138 5.887 -9.692 2.879 1.00 61.20 C ATOM 0 H VAL A 138 6.326 -13.088 4.981 1.00 34.11 H new ATOM 0 HA VAL A 138 4.684 -10.803 5.149 1.00 54.53 H new ATOM 0 HB VAL A 138 7.003 -10.862 4.277 1.00 73.25 H new ATOM 0 HG11 VAL A 138 7.514 -11.689 1.984 1.00 30.41 H new ATOM 0 HG12 VAL A 138 6.992 -12.992 3.078 1.00 30.41 H new ATOM 0 HG13 VAL A 138 5.861 -12.339 1.869 1.00 30.41 H new ATOM 0 HG21 VAL A 138 6.757 -9.374 2.304 1.00 61.20 H new ATOM 0 HG22 VAL A 138 5.034 -9.811 2.211 1.00 61.20 H new ATOM 0 HG23 VAL A 138 5.655 -8.940 3.633 1.00 61.20 H new ATOM 2178 N GLU A 139 3.521 -13.088 3.127 1.00 64.12 N ATOM 2179 CA GLU A 139 2.306 -13.551 2.413 1.00 30.41 C ATOM 2180 C GLU A 139 1.028 -13.224 3.234 1.00 12.42 C ATOM 2181 O GLU A 139 0.079 -12.633 2.720 1.00 12.31 O ATOM 2182 CB GLU A 139 2.434 -15.083 2.121 1.00 61.25 C ATOM 2183 CG GLU A 139 1.315 -15.731 1.244 1.00 45.52 C ATOM 2184 CD GLU A 139 -0.032 -15.993 1.967 1.00 50.30 C ATOM 2185 OE1 GLU A 139 -0.018 -16.536 3.097 1.00 52.01 O ATOM 2186 OE2 GLU A 139 -1.103 -15.642 1.422 1.00 34.05 O ATOM 0 H GLU A 139 4.204 -13.829 3.284 1.00 64.12 H new ATOM 0 HA GLU A 139 2.216 -13.024 1.463 1.00 30.41 H new ATOM 0 HB2 GLU A 139 3.392 -15.256 1.631 1.00 61.25 H new ATOM 0 HB3 GLU A 139 2.464 -15.609 3.075 1.00 61.25 H new ATOM 0 HG2 GLU A 139 1.128 -15.083 0.388 1.00 45.52 H new ATOM 0 HG3 GLU A 139 1.687 -16.678 0.852 1.00 45.52 H new ATOM 2193 N THR A 140 1.041 -13.607 4.520 1.00 44.22 N ATOM 2194 CA THR A 140 -0.089 -13.388 5.451 1.00 23.11 C ATOM 2195 C THR A 140 -0.103 -11.933 6.007 1.00 65.55 C ATOM 2196 O THR A 140 -1.175 -11.348 6.217 1.00 71.33 O ATOM 2197 CB THR A 140 -0.015 -14.418 6.637 1.00 11.15 C ATOM 2198 OG1 THR A 140 0.017 -15.765 6.121 1.00 64.05 O ATOM 2199 CG2 THR A 140 -1.198 -14.285 7.622 1.00 24.42 C ATOM 0 H THR A 140 1.836 -14.079 4.950 1.00 44.22 H new ATOM 0 HA THR A 140 -1.014 -13.539 4.894 1.00 23.11 H new ATOM 0 HB THR A 140 0.900 -14.195 7.186 1.00 11.15 H new ATOM 0 HG1 THR A 140 -0.085 -15.745 5.147 1.00 64.05 H new ATOM 0 HG21 THR A 140 -1.093 -15.021 8.419 1.00 24.42 H new ATOM 0 HG22 THR A 140 -1.203 -13.283 8.052 1.00 24.42 H new ATOM 0 HG23 THR A 140 -2.134 -14.456 7.091 1.00 24.42 H new ATOM 2207 N GLY A 141 1.103 -11.361 6.210 1.00 3.24 N ATOM 2208 CA GLY A 141 1.269 -10.051 6.866 1.00 71.23 C ATOM 2209 C GLY A 141 0.736 -8.868 6.045 1.00 61.21 C ATOM 2210 O GLY A 141 -0.052 -8.056 6.554 1.00 33.52 O ATOM 0 H GLY A 141 1.982 -11.793 5.925 1.00 3.24 H new ATOM 0 HA2 GLY A 141 0.758 -10.071 7.829 1.00 71.23 H new ATOM 0 HA3 GLY A 141 2.328 -9.890 7.070 1.00 71.23 H new ATOM 2214 N MET A 142 1.159 -8.776 4.765 1.00 24.31 N ATOM 2215 CA MET A 142 0.633 -7.756 3.815 1.00 63.31 C ATOM 2216 C MET A 142 -0.864 -8.005 3.516 1.00 50.34 C ATOM 2217 O MET A 142 -1.648 -7.053 3.369 1.00 21.41 O ATOM 2218 CB MET A 142 1.453 -7.745 2.491 1.00 14.25 C ATOM 2219 CG MET A 142 2.881 -7.203 2.630 1.00 60.04 C ATOM 2220 SD MET A 142 3.730 -7.108 1.036 1.00 35.23 S ATOM 2221 CE MET A 142 5.217 -6.204 1.463 1.00 11.05 C ATOM 0 H MET A 142 1.863 -9.393 4.361 1.00 24.31 H new ATOM 0 HA MET A 142 0.736 -6.779 4.288 1.00 63.31 H new ATOM 0 HB2 MET A 142 1.500 -8.761 2.100 1.00 14.25 H new ATOM 0 HB3 MET A 142 0.920 -7.144 1.754 1.00 14.25 H new ATOM 0 HG2 MET A 142 2.850 -6.212 3.083 1.00 60.04 H new ATOM 0 HG3 MET A 142 3.448 -7.845 3.305 1.00 60.04 H new ATOM 0 HE1 MET A 142 5.832 -6.074 0.573 1.00 11.05 H new ATOM 0 HE2 MET A 142 4.947 -5.227 1.863 1.00 11.05 H new ATOM 0 HE3 MET A 142 5.778 -6.760 2.214 1.00 11.05 H new ATOM 2231 N ASN A 143 -1.249 -9.299 3.471 1.00 51.24 N ATOM 2232 CA ASN A 143 -2.639 -9.721 3.212 1.00 23.01 C ATOM 2233 C ASN A 143 -3.606 -9.246 4.320 1.00 50.13 C ATOM 2234 O ASN A 143 -4.737 -8.917 4.018 1.00 51.03 O ATOM 2235 CB ASN A 143 -2.732 -11.259 3.061 1.00 55.43 C ATOM 2236 CG ASN A 143 -4.135 -11.769 2.704 1.00 22.24 C ATOM 2237 OD1 ASN A 143 -4.561 -12.823 3.160 1.00 61.13 O ATOM 2238 ND2 ASN A 143 -4.853 -11.047 1.858 1.00 44.02 N ATOM 0 H ASN A 143 -0.605 -10.077 3.613 1.00 51.24 H new ATOM 0 HA ASN A 143 -2.941 -9.250 2.276 1.00 23.01 H new ATOM 0 HB2 ASN A 143 -2.033 -11.581 2.289 1.00 55.43 H new ATOM 0 HB3 ASN A 143 -2.414 -11.725 3.994 1.00 55.43 H new ATOM 0 HD21 ASN A 143 -5.779 -11.366 1.574 1.00 44.02 H new ATOM 0 HD22 ASN A 143 -4.480 -10.172 1.490 1.00 44.02 H new ATOM 2245 N SER A 144 -3.146 -9.212 5.589 1.00 34.30 N ATOM 2246 CA SER A 144 -3.986 -8.779 6.748 1.00 1.35 C ATOM 2247 C SER A 144 -4.598 -7.368 6.529 1.00 44.22 C ATOM 2248 O SER A 144 -5.784 -7.134 6.804 1.00 14.11 O ATOM 2249 CB SER A 144 -3.150 -8.794 8.050 1.00 43.00 C ATOM 2250 OG SER A 144 -3.926 -8.392 9.174 1.00 11.14 O ATOM 0 H SER A 144 -2.196 -9.478 5.847 1.00 34.30 H new ATOM 0 HA SER A 144 -4.810 -9.488 6.835 1.00 1.35 H new ATOM 0 HB2 SER A 144 -2.756 -9.796 8.219 1.00 43.00 H new ATOM 0 HB3 SER A 144 -2.294 -8.129 7.941 1.00 43.00 H new ATOM 0 HG SER A 144 -3.369 -8.413 9.980 1.00 11.14 H new ATOM 2256 N THR A 145 -3.772 -6.450 6.002 1.00 1.41 N ATOM 2257 CA THR A 145 -4.184 -5.065 5.677 1.00 35.23 C ATOM 2258 C THR A 145 -5.039 -5.027 4.374 1.00 4.23 C ATOM 2259 O THR A 145 -5.998 -4.257 4.259 1.00 3.41 O ATOM 2260 CB THR A 145 -2.915 -4.149 5.524 1.00 31.44 C ATOM 2261 OG1 THR A 145 -2.040 -4.328 6.660 1.00 34.54 O ATOM 2262 CG2 THR A 145 -3.281 -2.657 5.413 1.00 55.41 C ATOM 0 H THR A 145 -2.794 -6.644 5.786 1.00 1.41 H new ATOM 0 HA THR A 145 -4.799 -4.689 6.495 1.00 35.23 H new ATOM 0 HB THR A 145 -2.416 -4.447 4.602 1.00 31.44 H new ATOM 0 HG1 THR A 145 -1.251 -3.756 6.558 1.00 34.54 H new ATOM 0 HG21 THR A 145 -2.371 -2.066 5.309 1.00 55.41 H new ATOM 0 HG22 THR A 145 -3.916 -2.502 4.541 1.00 55.41 H new ATOM 0 HG23 THR A 145 -3.815 -2.346 6.311 1.00 55.41 H new ATOM 2270 N LEU A 146 -4.682 -5.889 3.407 1.00 70.32 N ATOM 2271 CA LEU A 146 -5.388 -6.011 2.103 1.00 23.30 C ATOM 2272 C LEU A 146 -6.768 -6.717 2.212 1.00 72.10 C ATOM 2273 O LEU A 146 -7.615 -6.558 1.334 1.00 31.33 O ATOM 2274 CB LEU A 146 -4.483 -6.726 1.075 1.00 53.33 C ATOM 2275 CG LEU A 146 -3.211 -5.930 0.631 1.00 61.33 C ATOM 2276 CD1 LEU A 146 -2.368 -6.738 -0.364 1.00 21.23 C ATOM 2277 CD2 LEU A 146 -3.576 -4.556 0.031 1.00 24.44 C ATOM 0 H LEU A 146 -3.892 -6.528 3.500 1.00 70.32 H new ATOM 0 HA LEU A 146 -5.597 -4.997 1.762 1.00 23.30 H new ATOM 0 HB2 LEU A 146 -4.165 -7.679 1.497 1.00 53.33 H new ATOM 0 HB3 LEU A 146 -5.077 -6.952 0.189 1.00 53.33 H new ATOM 0 HG LEU A 146 -2.616 -5.758 1.528 1.00 61.33 H new ATOM 0 HD11 LEU A 146 -1.492 -6.158 -0.653 1.00 21.23 H new ATOM 0 HD12 LEU A 146 -2.049 -7.670 0.102 1.00 21.23 H new ATOM 0 HD13 LEU A 146 -2.964 -6.961 -1.249 1.00 21.23 H new ATOM 0 HD21 LEU A 146 -2.666 -4.035 -0.265 1.00 24.44 H new ATOM 0 HD22 LEU A 146 -4.213 -4.698 -0.842 1.00 24.44 H new ATOM 0 HD23 LEU A 146 -4.108 -3.964 0.776 1.00 24.44 H new ATOM 2289 N ASN A 147 -6.971 -7.521 3.269 1.00 3.43 N ATOM 2290 CA ASN A 147 -8.289 -8.137 3.576 1.00 71.04 C ATOM 2291 C ASN A 147 -9.294 -7.052 4.017 1.00 44.44 C ATOM 2292 O ASN A 147 -10.504 -7.199 3.837 1.00 34.34 O ATOM 2293 CB ASN A 147 -8.150 -9.225 4.676 1.00 4.14 C ATOM 2294 CG ASN A 147 -7.416 -10.483 4.193 1.00 25.41 C ATOM 2295 OD1 ASN A 147 -7.517 -10.873 3.034 1.00 12.34 O ATOM 2296 ND2 ASN A 147 -6.667 -11.122 5.072 1.00 63.54 N ATOM 0 H ASN A 147 -6.238 -7.766 3.935 1.00 3.43 H new ATOM 0 HA ASN A 147 -8.662 -8.616 2.671 1.00 71.04 H new ATOM 0 HB2 ASN A 147 -7.615 -8.805 5.528 1.00 4.14 H new ATOM 0 HB3 ASN A 147 -9.143 -9.504 5.029 1.00 4.14 H new ATOM 0 HD21 ASN A 147 -6.156 -11.960 4.793 1.00 63.54 H new ATOM 0 HD22 ASN A 147 -6.599 -10.778 6.030 1.00 63.54 H new ATOM 2303 N GLN A 148 -8.760 -5.959 4.599 1.00 63.53 N ATOM 2304 CA GLN A 148 -9.549 -4.762 4.946 1.00 62.03 C ATOM 2305 C GLN A 148 -9.915 -3.974 3.665 1.00 22.54 C ATOM 2306 O GLN A 148 -10.976 -3.353 3.599 1.00 50.14 O ATOM 2307 CB GLN A 148 -8.758 -3.859 5.934 1.00 1.52 C ATOM 2308 CG GLN A 148 -8.180 -4.578 7.175 1.00 35.23 C ATOM 2309 CD GLN A 148 -9.235 -5.287 8.028 1.00 25.25 C ATOM 2310 OE1 GLN A 148 -9.808 -4.705 8.942 1.00 22.22 O ATOM 2311 NE2 GLN A 148 -9.491 -6.550 7.742 1.00 24.33 N ATOM 0 H GLN A 148 -7.772 -5.882 4.841 1.00 63.53 H new ATOM 0 HA GLN A 148 -10.470 -5.080 5.434 1.00 62.03 H new ATOM 0 HB2 GLN A 148 -7.937 -3.390 5.392 1.00 1.52 H new ATOM 0 HB3 GLN A 148 -9.415 -3.058 6.273 1.00 1.52 H new ATOM 0 HG2 GLN A 148 -7.440 -5.309 6.848 1.00 35.23 H new ATOM 0 HG3 GLN A 148 -7.656 -3.849 7.794 1.00 35.23 H new ATOM 0 HE21 GLN A 148 -8.999 -7.009 6.976 1.00 24.33 H new ATOM 0 HE22 GLN A 148 -10.181 -7.067 8.287 1.00 24.33 H new ATOM 2320 N LEU A 149 -9.000 -3.996 2.660 1.00 3.24 N ATOM 2321 CA LEU A 149 -9.255 -3.425 1.313 1.00 2.51 C ATOM 2322 C LEU A 149 -10.400 -4.173 0.605 1.00 30.34 C ATOM 2323 O LEU A 149 -11.297 -3.547 0.049 1.00 71.12 O ATOM 2324 CB LEU A 149 -7.964 -3.439 0.440 1.00 33.15 C ATOM 2325 CG LEU A 149 -8.106 -2.885 -1.019 1.00 14.53 C ATOM 2326 CD1 LEU A 149 -8.650 -1.444 -1.028 1.00 62.20 C ATOM 2327 CD2 LEU A 149 -6.772 -2.963 -1.787 1.00 53.45 C ATOM 0 H LEU A 149 -8.072 -4.407 2.761 1.00 3.24 H new ATOM 0 HA LEU A 149 -9.558 -2.387 1.446 1.00 2.51 H new ATOM 0 HB2 LEU A 149 -7.198 -2.858 0.953 1.00 33.15 H new ATOM 0 HB3 LEU A 149 -7.601 -4.465 0.382 1.00 33.15 H new ATOM 0 HG LEU A 149 -8.828 -3.521 -1.530 1.00 14.53 H new ATOM 0 HD11 LEU A 149 -8.735 -1.094 -2.057 1.00 62.20 H new ATOM 0 HD12 LEU A 149 -9.632 -1.423 -0.555 1.00 62.20 H new ATOM 0 HD13 LEU A 149 -7.969 -0.794 -0.479 1.00 62.20 H new ATOM 0 HD21 LEU A 149 -6.909 -2.570 -2.795 1.00 53.45 H new ATOM 0 HD22 LEU A 149 -6.018 -2.373 -1.267 1.00 53.45 H new ATOM 0 HD23 LEU A 149 -6.445 -4.001 -1.844 1.00 53.45 H new ATOM 2339 N GLU A 150 -10.352 -5.513 0.656 1.00 31.14 N ATOM 2340 CA GLU A 150 -11.423 -6.386 0.141 1.00 41.13 C ATOM 2341 C GLU A 150 -12.802 -5.986 0.741 1.00 21.22 C ATOM 2342 O GLU A 150 -13.732 -5.660 0.006 1.00 35.52 O ATOM 2343 CB GLU A 150 -11.087 -7.875 0.461 1.00 61.33 C ATOM 2344 CG GLU A 150 -12.146 -8.917 0.016 1.00 70.31 C ATOM 2345 CD GLU A 150 -12.362 -8.982 -1.512 1.00 14.13 C ATOM 2346 OE1 GLU A 150 -13.200 -8.223 -2.042 1.00 44.43 O ATOM 2347 OE2 GLU A 150 -11.697 -9.801 -2.194 1.00 53.40 O ATOM 0 H GLU A 150 -9.567 -6.026 1.057 1.00 31.14 H new ATOM 0 HA GLU A 150 -11.487 -6.264 -0.940 1.00 41.13 H new ATOM 0 HB2 GLU A 150 -10.138 -8.124 -0.014 1.00 61.33 H new ATOM 0 HB3 GLU A 150 -10.940 -7.971 1.537 1.00 61.33 H new ATOM 0 HG2 GLU A 150 -11.843 -9.902 0.372 1.00 70.31 H new ATOM 0 HG3 GLU A 150 -13.096 -8.682 0.497 1.00 70.31 H new ATOM 2354 N LYS A 151 -12.876 -5.932 2.087 1.00 31.00 N ATOM 2355 CA LYS A 151 -14.123 -5.607 2.827 1.00 50.01 C ATOM 2356 C LYS A 151 -14.597 -4.147 2.603 1.00 3.13 C ATOM 2357 O LYS A 151 -15.803 -3.867 2.662 1.00 72.00 O ATOM 2358 CB LYS A 151 -13.930 -5.896 4.336 1.00 43.33 C ATOM 2359 CG LYS A 151 -13.627 -7.379 4.656 1.00 50.01 C ATOM 2360 CD LYS A 151 -14.741 -8.331 4.168 1.00 75.41 C ATOM 2361 CE LYS A 151 -14.424 -9.809 4.435 1.00 43.03 C ATOM 2362 NZ LYS A 151 -15.568 -10.684 4.067 1.00 20.04 N ATOM 0 H LYS A 151 -12.077 -6.111 2.695 1.00 31.00 H new ATOM 0 HA LYS A 151 -14.910 -6.248 2.430 1.00 50.01 H new ATOM 0 HB2 LYS A 151 -13.114 -5.279 4.713 1.00 43.33 H new ATOM 0 HB3 LYS A 151 -14.830 -5.595 4.872 1.00 43.33 H new ATOM 0 HG2 LYS A 151 -12.683 -7.662 4.191 1.00 50.01 H new ATOM 0 HG3 LYS A 151 -13.500 -7.496 5.732 1.00 50.01 H new ATOM 0 HD2 LYS A 151 -15.677 -8.070 4.662 1.00 75.41 H new ATOM 0 HD3 LYS A 151 -14.894 -8.185 3.099 1.00 75.41 H new ATOM 0 HE2 LYS A 151 -13.542 -10.102 3.866 1.00 43.03 H new ATOM 0 HE3 LYS A 151 -14.183 -9.946 5.489 1.00 43.03 H new ATOM 0 HZ1 LYS A 151 -15.322 -11.676 4.259 1.00 20.04 H new ATOM 0 HZ2 LYS A 151 -16.402 -10.419 4.628 1.00 20.04 H new ATOM 0 HZ3 LYS A 151 -15.781 -10.570 3.055 1.00 20.04 H new ATOM 2376 N LEU A 152 -13.642 -3.234 2.367 1.00 61.42 N ATOM 2377 CA LEU A 152 -13.927 -1.837 1.950 1.00 4.12 C ATOM 2378 C LEU A 152 -14.726 -1.815 0.623 1.00 75.55 C ATOM 2379 O LEU A 152 -15.792 -1.199 0.522 1.00 21.00 O ATOM 2380 CB LEU A 152 -12.581 -1.051 1.790 1.00 73.42 C ATOM 2381 CG LEU A 152 -12.617 0.258 0.924 1.00 61.05 C ATOM 2382 CD1 LEU A 152 -13.544 1.328 1.530 1.00 12.52 C ATOM 2383 CD2 LEU A 152 -11.201 0.811 0.689 1.00 44.14 C ATOM 0 H LEU A 152 -12.646 -3.436 2.458 1.00 61.42 H new ATOM 0 HA LEU A 152 -14.533 -1.356 2.718 1.00 4.12 H new ATOM 0 HB2 LEU A 152 -12.222 -0.789 2.785 1.00 73.42 H new ATOM 0 HB3 LEU A 152 -11.845 -1.726 1.353 1.00 73.42 H new ATOM 0 HG LEU A 152 -13.035 -0.012 -0.046 1.00 61.05 H new ATOM 0 HD11 LEU A 152 -13.537 2.216 0.897 1.00 12.52 H new ATOM 0 HD12 LEU A 152 -14.559 0.936 1.594 1.00 12.52 H new ATOM 0 HD13 LEU A 152 -13.193 1.591 2.528 1.00 12.52 H new ATOM 0 HD21 LEU A 152 -11.260 1.717 0.086 1.00 44.14 H new ATOM 0 HD22 LEU A 152 -10.737 1.042 1.648 1.00 44.14 H new ATOM 0 HD23 LEU A 152 -10.602 0.066 0.166 1.00 44.14 H new ATOM 2395 N LEU A 153 -14.188 -2.520 -0.373 1.00 4.11 N ATOM 2396 CA LEU A 153 -14.740 -2.580 -1.736 1.00 1.05 C ATOM 2397 C LEU A 153 -16.065 -3.371 -1.788 1.00 72.35 C ATOM 2398 O LEU A 153 -16.918 -3.109 -2.642 1.00 31.41 O ATOM 2399 CB LEU A 153 -13.670 -3.205 -2.647 1.00 21.22 C ATOM 2400 CG LEU A 153 -12.314 -2.425 -2.679 1.00 74.33 C ATOM 2401 CD1 LEU A 153 -11.187 -3.257 -3.314 1.00 72.12 C ATOM 2402 CD2 LEU A 153 -12.468 -1.053 -3.376 1.00 5.21 C ATOM 0 H LEU A 153 -13.341 -3.077 -0.258 1.00 4.11 H new ATOM 0 HA LEU A 153 -14.983 -1.575 -2.080 1.00 1.05 H new ATOM 0 HB2 LEU A 153 -13.480 -4.226 -2.317 1.00 21.22 H new ATOM 0 HB3 LEU A 153 -14.064 -3.266 -3.661 1.00 21.22 H new ATOM 0 HG LEU A 153 -12.027 -2.238 -1.644 1.00 74.33 H new ATOM 0 HD11 LEU A 153 -10.264 -2.678 -3.316 1.00 72.12 H new ATOM 0 HD12 LEU A 153 -11.041 -4.171 -2.738 1.00 72.12 H new ATOM 0 HD13 LEU A 153 -11.457 -3.513 -4.339 1.00 72.12 H new ATOM 0 HD21 LEU A 153 -11.508 -0.538 -3.381 1.00 5.21 H new ATOM 0 HD22 LEU A 153 -12.805 -1.202 -4.402 1.00 5.21 H new ATOM 0 HD23 LEU A 153 -13.200 -0.451 -2.837 1.00 5.21 H new ATOM 2414 N ASN A 154 -16.218 -4.334 -0.862 1.00 41.02 N ATOM 2415 CA ASN A 154 -17.478 -5.084 -0.663 1.00 12.10 C ATOM 2416 C ASN A 154 -18.548 -4.209 0.040 1.00 74.25 C ATOM 2417 O ASN A 154 -19.749 -4.456 -0.117 1.00 73.43 O ATOM 2418 CB ASN A 154 -17.227 -6.360 0.179 1.00 11.35 C ATOM 2419 CG ASN A 154 -16.211 -7.347 -0.415 1.00 3.02 C ATOM 2420 OD1 ASN A 154 -15.561 -8.090 0.319 1.00 5.32 O ATOM 2421 ND2 ASN A 154 -16.066 -7.392 -1.731 1.00 20.44 N ATOM 0 H ASN A 154 -15.471 -4.617 -0.227 1.00 41.02 H new ATOM 0 HA ASN A 154 -17.848 -5.367 -1.649 1.00 12.10 H new ATOM 0 HB2 ASN A 154 -16.882 -6.061 1.169 1.00 11.35 H new ATOM 0 HB3 ASN A 154 -18.176 -6.878 0.315 1.00 11.35 H new ATOM 0 HD21 ASN A 154 -15.408 -8.049 -2.149 1.00 20.44 H new ATOM 0 HD22 ASN A 154 -16.612 -6.769 -2.326 1.00 20.44 H new ATOM 2428 N GLN A 155 -18.074 -3.199 0.813 1.00 3.53 N ATOM 2429 CA GLN A 155 -18.903 -2.288 1.645 1.00 22.32 C ATOM 2430 C GLN A 155 -19.582 -3.052 2.813 1.00 1.22 C ATOM 2431 O GLN A 155 -19.179 -2.911 3.973 1.00 0.11 O ATOM 2432 CB GLN A 155 -19.946 -1.488 0.798 1.00 65.44 C ATOM 2433 CG GLN A 155 -19.333 -0.549 -0.273 1.00 60.25 C ATOM 2434 CD GLN A 155 -18.507 0.613 0.296 1.00 21.05 C ATOM 2435 OE1 GLN A 155 -18.768 1.115 1.383 1.00 0.33 O ATOM 2436 NE2 GLN A 155 -17.514 1.064 -0.447 1.00 32.35 N ATOM 0 H GLN A 155 -17.078 -2.990 0.877 1.00 3.53 H new ATOM 0 HA GLN A 155 -18.225 -1.552 2.078 1.00 22.32 H new ATOM 0 HB2 GLN A 155 -20.610 -2.196 0.302 1.00 65.44 H new ATOM 0 HB3 GLN A 155 -20.561 -0.893 1.473 1.00 65.44 H new ATOM 0 HG2 GLN A 155 -18.699 -1.139 -0.935 1.00 60.25 H new ATOM 0 HG3 GLN A 155 -20.138 -0.141 -0.884 1.00 60.25 H new ATOM 0 HE21 GLN A 155 -17.314 0.631 -1.349 1.00 32.35 H new ATOM 0 HE22 GLN A 155 -16.946 1.845 -0.120 1.00 32.35 H new