USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 869 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 21 CYS SG : rot -50:sc= -0.745 USER MOD Set 1.2: A 23 GLN : amide:sc= -2.47 K(o=-1.9,f=-3!) USER MOD Set 1.3: A 125 SER OG : rot 83:sc= 1.31 USER MOD Set 2.1: A 69 MET CE :methyl -109:sc= -5.07! (180deg=-11.7!) USER MOD Set 2.2: A 71 MET CE :methyl 149:sc=-0.00186 (180deg=0) USER MOD Set 3.1: A 17 THR OG1 : rot 141:sc= 0.125 USER MOD Set 3.2: A 47 HIS : no HD1:sc= -2.73! C(o=-2.6!,f=-0.97!) USER MOD Single : A 7 SER OG : rot 76:sc= 1.07 USER MOD Single : A 8 TYR OH : rot -153:sc= 0.00727 USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00967) USER MOD Single : A 14 ASN : amide:sc= -3.34 K(o=-3.3,f=-2.7) USER MOD Single : A 19 SER OG : rot -159:sc= -4.47! USER MOD Single : A 20 SER OG : rot 180:sc= -2.01 USER MOD Single : A 38 ASN : amide:sc= 0.142 X(o=0.14,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0592 X(o=-0.059,f=0) USER MOD Single : A 42 THR OG1 : rot 173:sc= -2.3! USER MOD Single : A 48 ASN : amide:sc= -1.55 K(o=-1.6,f=-5.6!) USER MOD Single : A 51 MET CE :methyl 161:sc= -0.902 (180deg=-2.17!) USER MOD Single : A 53 MET CE :methyl -175:sc= -1.55 (180deg=-1.65!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -146:sc= 0.595 (180deg=0.0934) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.527 K(o=-0.53,f=0) USER MOD Single : A 79 CYS SG : rot 79:sc= -1.55! USER MOD Single : A 81 TYR OH : rot 130:sc= -0.0269 USER MOD Single : A 82 SER OG : rot 100:sc= 1.32 USER MOD Single : A 83 THR OG1 : rot -117:sc= 0.388 USER MOD Single : A 86 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 5:sc= 0.321 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 94 CYS SG : rot -39:sc= -6.6 USER MOD Single : A 96 THR OG1 : rot 120:sc= 0.039 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -1.02 K(o=-1,f=0.019) USER MOD Single : A 115 TYR OH : rot -150:sc= -1.32 USER MOD Single : A 117 SER OG : rot 155:sc= -1.11 USER MOD Single : A 118 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.66) USER MOD Single : A 120 THR OG1 : rot 82:sc= -1.45! USER MOD Single : A 121 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.11) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -13.7! C(o=-14!,f=-13!) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N VAL A 6 2.982 -8.133 -3.080 1.00 0.00 N ATOM 101 CA VAL A 6 2.296 -7.645 -1.888 1.00 0.00 C ATOM 102 C VAL A 6 2.161 -8.773 -0.871 1.00 0.00 C ATOM 103 O VAL A 6 1.193 -9.533 -0.894 1.00 0.00 O ATOM 104 CB VAL A 6 0.899 -7.067 -2.206 1.00 0.00 C ATOM 105 CG1 VAL A 6 0.548 -5.955 -1.233 1.00 0.00 C ATOM 106 CG2 VAL A 6 0.822 -6.555 -3.633 1.00 0.00 C ATOM 0 HA VAL A 6 2.900 -6.836 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 6 0.176 -7.875 -2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.439 -5.560 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.545 -6.349 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.287 -5.157 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.174 -6.155 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.562 -5.768 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.023 -7.373 -4.324 1.00 0.00 H new ATOM 116 N SER A 7 3.163 -8.886 -0.002 1.00 0.00 N ATOM 117 CA SER A 7 3.209 -9.933 1.021 1.00 0.00 C ATOM 118 C SER A 7 1.837 -10.246 1.614 1.00 0.00 C ATOM 119 O SER A 7 1.453 -11.411 1.708 1.00 0.00 O ATOM 120 CB SER A 7 4.178 -9.541 2.138 1.00 0.00 C ATOM 121 OG SER A 7 4.393 -8.141 2.163 1.00 0.00 O ATOM 0 H SER A 7 3.965 -8.257 0.015 1.00 0.00 H new ATOM 0 HA SER A 7 3.559 -10.838 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.780 -9.868 3.099 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.129 -10.055 1.995 1.00 0.00 H new ATOM 0 HG SER A 7 3.614 -7.697 2.559 1.00 0.00 H new ATOM 127 N TYR A 8 1.107 -9.218 2.032 1.00 0.00 N ATOM 128 CA TYR A 8 -0.203 -9.435 2.629 1.00 0.00 C ATOM 129 C TYR A 8 -1.164 -8.309 2.293 1.00 0.00 C ATOM 130 O TYR A 8 -0.994 -7.193 2.753 1.00 0.00 O ATOM 131 CB TYR A 8 -0.073 -9.558 4.144 1.00 0.00 C ATOM 132 CG TYR A 8 1.121 -10.368 4.599 1.00 0.00 C ATOM 133 CD1 TYR A 8 1.092 -11.755 4.582 1.00 0.00 C ATOM 134 CD2 TYR A 8 2.275 -9.742 5.052 1.00 0.00 C ATOM 135 CE1 TYR A 8 2.179 -12.498 5.001 1.00 0.00 C ATOM 136 CE2 TYR A 8 3.367 -10.476 5.471 1.00 0.00 C ATOM 137 CZ TYR A 8 3.315 -11.854 5.445 1.00 0.00 C ATOM 138 OH TYR A 8 4.401 -12.586 5.865 1.00 0.00 O ATOM 0 H TYR A 8 1.395 -8.241 1.970 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.605 -10.360 2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.006 -8.559 4.574 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.980 -10.015 4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.204 -12.263 4.235 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.319 -8.663 5.077 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.139 -13.577 4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.258 -9.973 5.818 1.00 0.00 H new ATOM 0 HH TYR A 8 4.915 -12.065 6.516 1.00 0.00 H new ATOM 148 N VAL A 9 -2.184 -8.606 1.502 1.00 0.00 N ATOM 149 CA VAL A 9 -3.170 -7.589 1.128 1.00 0.00 C ATOM 150 C VAL A 9 -4.519 -7.868 1.776 1.00 0.00 C ATOM 151 O VAL A 9 -5.309 -8.653 1.259 1.00 0.00 O ATOM 152 CB VAL A 9 -3.363 -7.501 -0.399 1.00 0.00 C ATOM 153 CG1 VAL A 9 -3.943 -6.148 -0.784 1.00 0.00 C ATOM 154 CG2 VAL A 9 -2.051 -7.750 -1.130 1.00 0.00 C ATOM 0 H VAL A 9 -2.355 -9.531 1.107 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.778 -6.638 1.487 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.067 -8.278 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.073 -6.102 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.909 -6.014 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.263 -5.357 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.215 -7.682 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.318 -7.002 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.679 -8.744 -0.882 1.00 0.00 H new ATOM 164 N GLU A 10 -4.777 -7.226 2.913 1.00 0.00 N ATOM 165 CA GLU A 10 -6.033 -7.418 3.628 1.00 0.00 C ATOM 166 C GLU A 10 -6.980 -6.238 3.440 1.00 0.00 C ATOM 167 O GLU A 10 -6.728 -5.140 3.935 1.00 0.00 O ATOM 168 CB GLU A 10 -5.765 -7.628 5.121 1.00 0.00 C ATOM 169 CG GLU A 10 -6.344 -8.922 5.665 1.00 0.00 C ATOM 170 CD GLU A 10 -6.483 -8.912 7.174 1.00 0.00 C ATOM 171 OE1 GLU A 10 -6.589 -10.008 7.766 1.00 0.00 O ATOM 172 OE2 GLU A 10 -6.486 -7.812 7.764 1.00 0.00 O ATOM 0 H GLU A 10 -4.134 -6.570 3.357 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.512 -8.304 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.689 -7.620 5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.183 -6.790 5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.322 -9.095 5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.705 -9.754 5.369 1.00 0.00 H new ATOM 179 N VAL A 11 -8.084 -6.481 2.743 1.00 0.00 N ATOM 180 CA VAL A 11 -9.084 -5.450 2.515 1.00 0.00 C ATOM 181 C VAL A 11 -9.987 -5.339 3.736 1.00 0.00 C ATOM 182 O VAL A 11 -10.108 -6.285 4.510 1.00 0.00 O ATOM 183 CB VAL A 11 -9.935 -5.758 1.267 1.00 0.00 C ATOM 184 CG1 VAL A 11 -11.069 -4.756 1.113 1.00 0.00 C ATOM 185 CG2 VAL A 11 -9.059 -5.774 0.025 1.00 0.00 C ATOM 0 H VAL A 11 -8.307 -7.385 2.326 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.567 -4.505 2.346 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.380 -6.745 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.651 -4.999 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.713 -4.798 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.656 -3.752 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.672 -5.993 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.585 -4.800 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.291 -6.541 0.131 1.00 0.00 H new ATOM 195 N ILE A 12 -10.607 -4.182 3.916 1.00 0.00 N ATOM 196 CA ILE A 12 -11.479 -3.963 5.059 1.00 0.00 C ATOM 197 C ILE A 12 -12.801 -3.336 4.638 1.00 0.00 C ATOM 198 O ILE A 12 -12.824 -2.275 4.024 1.00 0.00 O ATOM 199 CB ILE A 12 -10.792 -3.059 6.099 1.00 0.00 C ATOM 200 CG1 ILE A 12 -9.631 -3.800 6.763 1.00 0.00 C ATOM 201 CG2 ILE A 12 -11.784 -2.576 7.142 1.00 0.00 C ATOM 202 CD1 ILE A 12 -8.276 -3.220 6.435 1.00 0.00 C ATOM 0 H ILE A 12 -10.523 -3.383 3.287 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.683 -4.937 5.503 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.397 -2.185 5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.772 -3.784 7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.654 -4.845 6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.272 -1.940 7.864 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.576 -2.008 6.655 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.217 -3.434 7.657 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.501 -3.796 6.941 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.114 -3.261 5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.233 -2.183 6.769 1.00 0.00 H new ATOM 214 N LYS A 13 -13.902 -3.995 4.971 1.00 0.00 N ATOM 215 CA LYS A 13 -15.221 -3.480 4.615 1.00 0.00 C ATOM 216 C LYS A 13 -15.977 -2.951 5.834 1.00 0.00 C ATOM 217 O LYS A 13 -16.717 -3.689 6.484 1.00 0.00 O ATOM 218 CB LYS A 13 -16.050 -4.566 3.928 1.00 0.00 C ATOM 219 CG LYS A 13 -17.380 -4.068 3.384 1.00 0.00 C ATOM 220 CD LYS A 13 -17.512 -4.339 1.893 1.00 0.00 C ATOM 221 CE LYS A 13 -18.801 -3.758 1.333 1.00 0.00 C ATOM 222 NZ LYS A 13 -20.000 -4.501 1.811 1.00 0.00 N ATOM 0 H LYS A 13 -13.912 -4.878 5.482 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.066 -2.648 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.469 -4.991 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.237 -5.372 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.197 -4.555 3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.472 -2.998 3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.659 -3.909 1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.488 -5.414 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.883 -2.711 1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.768 -3.785 0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.852 -4.117 1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.903 -5.508 1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.084 -4.397 2.842 1.00 0.00 H new ATOM 236 N ASN A 14 -15.806 -1.663 6.123 1.00 0.00 N ATOM 237 CA ASN A 14 -16.493 -1.024 7.246 1.00 0.00 C ATOM 238 C ASN A 14 -15.894 -1.436 8.588 1.00 0.00 C ATOM 239 O ASN A 14 -16.623 -1.671 9.554 1.00 0.00 O ATOM 240 CB ASN A 14 -17.984 -1.365 7.220 1.00 0.00 C ATOM 241 CG ASN A 14 -18.857 -0.179 7.578 1.00 0.00 C ATOM 242 OD1 ASN A 14 -18.495 0.642 8.421 1.00 0.00 O ATOM 243 ND2 ASN A 14 -20.016 -0.084 6.936 1.00 0.00 N ATOM 0 H ASN A 14 -15.196 -1.039 5.594 1.00 0.00 H new ATOM 0 HA ASN A 14 -16.362 0.053 7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.254 -1.724 6.227 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.179 -2.180 7.918 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -20.647 0.693 7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -20.275 -0.788 6.245 1.00 0.00 H new ATOM 250 N GLY A 15 -14.571 -1.520 8.652 1.00 0.00 N ATOM 251 CA GLY A 15 -13.918 -1.898 9.888 1.00 0.00 C ATOM 252 C GLY A 15 -13.902 -3.396 10.095 1.00 0.00 C ATOM 253 O GLY A 15 -13.726 -3.873 11.216 1.00 0.00 O ATOM 0 H GLY A 15 -13.941 -1.333 7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.894 -1.523 9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.429 -1.423 10.726 1.00 0.00 H new ATOM 257 N GLU A 16 -14.075 -4.143 9.010 1.00 0.00 N ATOM 258 CA GLU A 16 -14.065 -5.593 9.080 1.00 0.00 C ATOM 259 C GLU A 16 -13.471 -6.174 7.806 1.00 0.00 C ATOM 260 O GLU A 16 -13.980 -5.949 6.708 1.00 0.00 O ATOM 261 CB GLU A 16 -15.477 -6.143 9.313 1.00 0.00 C ATOM 262 CG GLU A 16 -16.499 -5.669 8.295 1.00 0.00 C ATOM 263 CD GLU A 16 -17.701 -6.591 8.208 1.00 0.00 C ATOM 264 OE1 GLU A 16 -18.840 -6.093 8.326 1.00 0.00 O ATOM 265 OE2 GLU A 16 -17.502 -7.809 8.019 1.00 0.00 O ATOM 0 H GLU A 16 -14.223 -3.765 8.074 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.446 -5.891 9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.439 -7.232 9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.810 -5.852 10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.833 -4.666 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.026 -5.600 7.315 1.00 0.00 H new ATOM 272 N THR A 17 -12.374 -6.901 7.959 1.00 0.00 N ATOM 273 CA THR A 17 -11.689 -7.495 6.821 1.00 0.00 C ATOM 274 C THR A 17 -12.642 -8.300 5.941 1.00 0.00 C ATOM 275 O THR A 17 -13.312 -9.220 6.410 1.00 0.00 O ATOM 276 CB THR A 17 -10.551 -8.394 7.302 1.00 0.00 C ATOM 277 OG1 THR A 17 -10.095 -7.988 8.581 1.00 0.00 O ATOM 278 CG2 THR A 17 -9.362 -8.400 6.368 1.00 0.00 C ATOM 0 H THR A 17 -11.939 -7.094 8.861 1.00 0.00 H new ATOM 0 HA THR A 17 -11.285 -6.679 6.221 1.00 0.00 H new ATOM 0 HB THR A 17 -10.970 -9.399 7.337 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.889 -8.779 9.121 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.589 -9.057 6.767 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.672 -8.758 5.386 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.966 -7.389 6.276 1.00 0.00 H new ATOM 286 N ILE A 18 -12.673 -7.960 4.658 1.00 0.00 N ATOM 287 CA ILE A 18 -13.518 -8.665 3.697 1.00 0.00 C ATOM 288 C ILE A 18 -12.687 -9.659 2.907 1.00 0.00 C ATOM 289 O ILE A 18 -13.038 -10.832 2.785 1.00 0.00 O ATOM 290 CB ILE A 18 -14.215 -7.713 2.694 1.00 0.00 C ATOM 291 CG1 ILE A 18 -13.492 -6.368 2.596 1.00 0.00 C ATOM 292 CG2 ILE A 18 -15.670 -7.509 3.075 1.00 0.00 C ATOM 293 CD1 ILE A 18 -13.904 -5.558 1.385 1.00 0.00 C ATOM 0 H ILE A 18 -12.123 -7.200 4.257 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.289 -9.169 4.279 1.00 0.00 H new ATOM 0 HB ILE A 18 -14.173 -8.182 1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.691 -5.789 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.417 -6.542 2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.143 -6.837 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.186 -8.469 3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.727 -7.074 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.356 -4.616 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.680 -6.120 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -14.974 -5.354 1.430 1.00 0.00 H new ATOM 305 N SER A 19 -11.580 -9.169 2.374 1.00 0.00 N ATOM 306 CA SER A 19 -10.673 -9.997 1.584 1.00 0.00 C ATOM 307 C SER A 19 -9.274 -10.009 2.192 1.00 0.00 C ATOM 308 O SER A 19 -9.012 -9.321 3.179 1.00 0.00 O ATOM 309 CB SER A 19 -10.616 -9.501 0.142 1.00 0.00 C ATOM 310 OG SER A 19 -9.831 -8.329 0.033 1.00 0.00 O ATOM 0 H SER A 19 -11.284 -8.198 2.473 1.00 0.00 H new ATOM 0 HA SER A 19 -11.057 -11.017 1.590 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.201 -10.280 -0.497 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.626 -9.300 -0.216 1.00 0.00 H new ATOM 0 HG SER A 19 -10.074 -7.847 -0.785 1.00 0.00 H new ATOM 316 N SER A 20 -8.379 -10.797 1.601 1.00 0.00 N ATOM 317 CA SER A 20 -7.016 -10.896 2.105 1.00 0.00 C ATOM 318 C SER A 20 -6.111 -11.661 1.143 1.00 0.00 C ATOM 319 O SER A 20 -6.521 -12.654 0.541 1.00 0.00 O ATOM 320 CB SER A 20 -7.008 -11.580 3.473 1.00 0.00 C ATOM 321 OG SER A 20 -8.191 -12.334 3.674 1.00 0.00 O ATOM 0 H SER A 20 -8.572 -11.371 0.780 1.00 0.00 H new ATOM 0 HA SER A 20 -6.627 -9.882 2.199 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.139 -12.233 3.551 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.914 -10.829 4.258 1.00 0.00 H new ATOM 0 HG SER A 20 -8.160 -12.762 4.555 1.00 0.00 H new ATOM 327 N CYS A 21 -4.871 -11.199 1.024 1.00 0.00 N ATOM 328 CA CYS A 21 -3.887 -11.840 0.157 1.00 0.00 C ATOM 329 C CYS A 21 -2.610 -12.100 0.945 1.00 0.00 C ATOM 330 O CYS A 21 -1.585 -11.458 0.717 1.00 0.00 O ATOM 331 CB CYS A 21 -3.584 -10.952 -1.053 1.00 0.00 C ATOM 332 SG CYS A 21 -2.264 -11.575 -2.122 1.00 0.00 S ATOM 0 H CYS A 21 -4.522 -10.379 1.520 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.291 -12.787 -0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.493 -10.842 -1.645 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.311 -9.958 -0.700 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.221 -11.863 -1.401 1.00 0.00 H new ATOM 338 N PHE A 22 -2.692 -13.029 1.887 1.00 0.00 N ATOM 339 CA PHE A 22 -1.556 -13.357 2.736 1.00 0.00 C ATOM 340 C PHE A 22 -0.946 -14.695 2.342 1.00 0.00 C ATOM 341 O PHE A 22 -1.457 -15.754 2.709 1.00 0.00 O ATOM 342 CB PHE A 22 -1.997 -13.379 4.206 1.00 0.00 C ATOM 343 CG PHE A 22 -2.376 -12.020 4.730 1.00 0.00 C ATOM 344 CD1 PHE A 22 -3.180 -11.173 3.980 1.00 0.00 C ATOM 345 CD2 PHE A 22 -1.914 -11.577 5.960 1.00 0.00 C ATOM 346 CE1 PHE A 22 -3.514 -9.920 4.441 1.00 0.00 C ATOM 347 CE2 PHE A 22 -2.252 -10.315 6.428 1.00 0.00 C ATOM 348 CZ PHE A 22 -3.050 -9.491 5.664 1.00 0.00 C ATOM 0 H PHE A 22 -3.535 -13.569 2.083 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.791 -12.591 2.603 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.847 -14.053 4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.189 -13.784 4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.549 -11.502 3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.286 -12.220 6.559 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.140 -9.274 3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.891 -9.979 7.389 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.312 -8.507 6.025 1.00 0.00 H new ATOM 358 N GLN A 23 0.148 -14.641 1.589 1.00 0.00 N ATOM 359 CA GLN A 23 0.818 -15.858 1.146 1.00 0.00 C ATOM 360 C GLN A 23 2.337 -15.700 1.175 1.00 0.00 C ATOM 361 O GLN A 23 2.867 -14.658 0.789 1.00 0.00 O ATOM 362 CB GLN A 23 0.363 -16.230 -0.266 1.00 0.00 C ATOM 363 CG GLN A 23 -1.055 -16.775 -0.324 1.00 0.00 C ATOM 364 CD GLN A 23 -2.102 -15.678 -0.321 1.00 0.00 C ATOM 365 OE1 GLN A 23 -2.918 -15.585 0.596 1.00 0.00 O ATOM 366 NE2 GLN A 23 -2.085 -14.841 -1.352 1.00 0.00 N ATOM 0 H GLN A 23 0.586 -13.775 1.275 1.00 0.00 H new ATOM 0 HA GLN A 23 0.545 -16.656 1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.431 -15.349 -0.905 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.046 -16.974 -0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.171 -17.380 -1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.222 -17.434 0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.390 -14.955 -2.090 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.766 -14.084 -1.406 1.00 0.00 H new ATOM 587 N ASN A 38 9.964 -13.598 9.100 1.00 0.00 N ATOM 588 CA ASN A 38 8.770 -12.776 8.939 1.00 0.00 C ATOM 589 C ASN A 38 7.685 -13.536 8.185 1.00 0.00 C ATOM 590 O ASN A 38 6.884 -12.940 7.466 1.00 0.00 O ATOM 591 CB ASN A 38 9.112 -11.483 8.200 1.00 0.00 C ATOM 592 CG ASN A 38 9.524 -10.370 9.143 1.00 0.00 C ATOM 593 OD1 ASN A 38 10.676 -9.938 9.147 1.00 0.00 O ATOM 594 ND2 ASN A 38 8.580 -9.898 9.952 1.00 0.00 N ATOM 0 HA ASN A 38 8.392 -12.529 9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.920 -11.674 7.493 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.249 -11.161 7.618 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.799 -9.149 10.609 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.637 -10.285 9.916 1.00 0.00 H new ATOM 601 N GLU A 39 7.661 -14.854 8.358 1.00 0.00 N ATOM 602 CA GLU A 39 6.667 -15.691 7.696 1.00 0.00 C ATOM 603 C GLU A 39 5.918 -16.554 8.709 1.00 0.00 C ATOM 604 O GLU A 39 5.407 -17.623 8.377 1.00 0.00 O ATOM 605 CB GLU A 39 7.329 -16.568 6.633 1.00 0.00 C ATOM 606 CG GLU A 39 6.339 -17.358 5.793 1.00 0.00 C ATOM 607 CD GLU A 39 6.633 -18.844 5.787 1.00 0.00 C ATOM 608 OE1 GLU A 39 7.813 -19.216 5.609 1.00 0.00 O ATOM 609 OE2 GLU A 39 5.684 -19.639 5.957 1.00 0.00 O ATOM 0 H GLU A 39 8.317 -15.364 8.950 1.00 0.00 H new ATOM 0 HA GLU A 39 5.945 -15.037 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.929 -15.938 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.013 -17.262 7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.332 -17.193 6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.357 -16.984 4.769 1.00 0.00 H new ATOM 616 N GLN A 40 5.846 -16.065 9.941 1.00 0.00 N ATOM 617 CA GLN A 40 5.145 -16.768 11.012 1.00 0.00 C ATOM 618 C GLN A 40 3.882 -16.001 11.384 1.00 0.00 C ATOM 619 O GLN A 40 2.840 -16.589 11.681 1.00 0.00 O ATOM 620 CB GLN A 40 6.050 -16.916 12.237 1.00 0.00 C ATOM 621 CG GLN A 40 6.449 -15.590 12.864 1.00 0.00 C ATOM 622 CD GLN A 40 7.720 -15.693 13.683 1.00 0.00 C ATOM 623 OE1 GLN A 40 7.710 -15.492 14.896 1.00 0.00 O ATOM 624 NE2 GLN A 40 8.828 -16.005 13.018 1.00 0.00 N ATOM 0 H GLN A 40 6.266 -15.180 10.225 1.00 0.00 H new ATOM 0 HA GLN A 40 4.873 -17.764 10.663 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.539 -17.522 12.985 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.951 -17.458 11.949 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.586 -14.847 12.078 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.639 -15.235 13.500 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.791 -16.164 12.011 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.715 -16.086 13.515 1.00 0.00 H new ATOM 633 N ILE A 41 3.989 -14.678 11.341 1.00 0.00 N ATOM 634 CA ILE A 41 2.876 -13.786 11.641 1.00 0.00 C ATOM 635 C ILE A 41 1.606 -14.229 10.911 1.00 0.00 C ATOM 636 O ILE A 41 1.646 -14.574 9.731 1.00 0.00 O ATOM 637 CB ILE A 41 3.242 -12.352 11.228 1.00 0.00 C ATOM 638 CG1 ILE A 41 4.548 -11.927 11.919 1.00 0.00 C ATOM 639 CG2 ILE A 41 2.111 -11.385 11.540 1.00 0.00 C ATOM 640 CD1 ILE A 41 4.510 -10.544 12.539 1.00 0.00 C ATOM 0 H ILE A 41 4.852 -14.193 11.096 1.00 0.00 H new ATOM 0 HA ILE A 41 2.682 -13.822 12.713 1.00 0.00 H new ATOM 0 HB ILE A 41 3.397 -12.328 10.149 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.786 -12.653 12.696 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.358 -11.963 11.190 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.399 -10.378 11.237 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.215 -11.685 10.997 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.907 -11.397 12.611 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.472 -10.327 13.004 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.306 -9.804 11.765 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.725 -10.505 13.294 1.00 0.00 H new ATOM 652 N THR A 42 0.484 -14.222 11.624 1.00 0.00 N ATOM 653 CA THR A 42 -0.795 -14.629 11.045 1.00 0.00 C ATOM 654 C THR A 42 -1.556 -13.420 10.523 1.00 0.00 C ATOM 655 O THR A 42 -1.411 -12.317 11.050 1.00 0.00 O ATOM 656 CB THR A 42 -1.659 -15.359 12.085 1.00 0.00 C ATOM 657 OG1 THR A 42 -2.995 -15.475 11.633 1.00 0.00 O ATOM 658 CG2 THR A 42 -1.699 -14.676 13.434 1.00 0.00 C ATOM 0 H THR A 42 0.433 -13.940 12.603 1.00 0.00 H new ATOM 0 HA THR A 42 -0.582 -15.307 10.218 1.00 0.00 H new ATOM 0 HB THR A 42 -1.188 -16.334 12.206 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.502 -16.039 12.253 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.328 -15.250 14.114 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.689 -14.613 13.840 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.108 -13.672 13.322 1.00 0.00 H new ATOM 666 N PRO A 43 -2.408 -13.607 9.495 1.00 0.00 N ATOM 667 CA PRO A 43 -3.209 -12.512 8.947 1.00 0.00 C ATOM 668 C PRO A 43 -3.878 -11.726 10.069 1.00 0.00 C ATOM 669 O PRO A 43 -4.144 -10.535 9.938 1.00 0.00 O ATOM 670 CB PRO A 43 -4.248 -13.231 8.088 1.00 0.00 C ATOM 671 CG PRO A 43 -3.581 -14.497 7.674 1.00 0.00 C ATOM 672 CD PRO A 43 -2.678 -14.889 8.815 1.00 0.00 C ATOM 0 HA PRO A 43 -2.621 -11.788 8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.160 -13.429 8.651 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.532 -12.631 7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.316 -15.277 7.474 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.010 -14.354 6.757 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.161 -15.603 9.482 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.760 -15.356 8.458 1.00 0.00 H new ATOM 680 N VAL A 44 -4.108 -12.419 11.181 1.00 0.00 N ATOM 681 CA VAL A 44 -4.707 -11.841 12.373 1.00 0.00 C ATOM 682 C VAL A 44 -3.840 -10.723 12.916 1.00 0.00 C ATOM 683 O VAL A 44 -4.339 -9.677 13.311 1.00 0.00 O ATOM 684 CB VAL A 44 -4.832 -12.910 13.457 1.00 0.00 C ATOM 685 CG1 VAL A 44 -5.491 -12.365 14.706 1.00 0.00 C ATOM 686 CG2 VAL A 44 -5.569 -14.129 12.934 1.00 0.00 C ATOM 0 H VAL A 44 -3.880 -13.408 11.277 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.688 -11.450 12.103 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.823 -13.218 13.732 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.562 -13.155 15.454 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.896 -11.542 15.102 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.491 -12.005 14.462 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.645 -14.875 13.725 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.569 -13.839 12.612 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.023 -14.549 12.089 1.00 0.00 H new ATOM 696 N ILE A 45 -2.536 -10.959 12.932 1.00 0.00 N ATOM 697 CA ILE A 45 -1.590 -9.966 13.421 1.00 0.00 C ATOM 698 C ILE A 45 -1.752 -8.681 12.639 1.00 0.00 C ATOM 699 O ILE A 45 -1.845 -7.593 13.206 1.00 0.00 O ATOM 700 CB ILE A 45 -0.137 -10.454 13.283 1.00 0.00 C ATOM 701 CG1 ILE A 45 0.010 -11.895 13.769 1.00 0.00 C ATOM 702 CG2 ILE A 45 0.818 -9.530 14.027 1.00 0.00 C ATOM 703 CD1 ILE A 45 -0.234 -12.077 15.245 1.00 0.00 C ATOM 0 H ILE A 45 -2.109 -11.828 12.612 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.800 -9.798 14.477 1.00 0.00 H new ATOM 0 HB ILE A 45 0.124 -10.431 12.225 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.686 -12.526 13.217 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.014 -12.246 13.532 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.839 -9.895 13.915 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.745 -8.524 13.615 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.554 -9.509 15.084 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.110 -13.128 15.507 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.479 -11.475 15.809 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.248 -11.760 15.488 1.00 0.00 H new ATOM 715 N PHE A 46 -1.815 -8.828 11.326 1.00 0.00 N ATOM 716 CA PHE A 46 -2.001 -7.699 10.442 1.00 0.00 C ATOM 717 C PHE A 46 -3.436 -7.209 10.544 1.00 0.00 C ATOM 718 O PHE A 46 -3.694 -6.010 10.550 1.00 0.00 O ATOM 719 CB PHE A 46 -1.694 -8.087 8.996 1.00 0.00 C ATOM 720 CG PHE A 46 -0.372 -8.780 8.807 1.00 0.00 C ATOM 721 CD1 PHE A 46 0.731 -8.076 8.353 1.00 0.00 C ATOM 722 CD2 PHE A 46 -0.235 -10.134 9.068 1.00 0.00 C ATOM 723 CE1 PHE A 46 1.943 -8.709 8.163 1.00 0.00 C ATOM 724 CE2 PHE A 46 0.975 -10.772 8.881 1.00 0.00 C ATOM 725 CZ PHE A 46 2.067 -10.060 8.428 1.00 0.00 C ATOM 0 H PHE A 46 -1.739 -9.727 10.850 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.316 -6.905 10.740 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.488 -8.739 8.631 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.711 -7.188 8.380 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.642 -7.020 8.145 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.086 -10.697 9.422 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.795 -8.148 7.807 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.067 -11.828 9.089 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.015 -10.556 8.281 1.00 0.00 H new ATOM 735 N HIS A 47 -4.372 -8.156 10.634 1.00 0.00 N ATOM 736 CA HIS A 47 -5.785 -7.819 10.735 1.00 0.00 C ATOM 737 C HIS A 47 -6.054 -7.047 12.020 1.00 0.00 C ATOM 738 O HIS A 47 -6.936 -6.193 12.067 1.00 0.00 O ATOM 739 CB HIS A 47 -6.646 -9.096 10.654 1.00 0.00 C ATOM 740 CG HIS A 47 -7.698 -9.220 11.715 1.00 0.00 C ATOM 741 ND1 HIS A 47 -9.038 -9.398 11.439 1.00 0.00 N ATOM 742 CD2 HIS A 47 -7.595 -9.203 13.062 1.00 0.00 C ATOM 743 CE1 HIS A 47 -9.712 -9.483 12.572 1.00 0.00 C ATOM 744 NE2 HIS A 47 -8.859 -9.368 13.573 1.00 0.00 N ATOM 0 H HIS A 47 -4.174 -9.157 10.639 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.058 -7.178 9.897 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -7.130 -9.128 9.678 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.989 -9.963 10.712 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.686 -9.082 13.632 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.779 -9.623 12.664 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.099 -9.397 14.564 1.00 0.00 H new ATOM 753 N ASN A 48 -5.277 -7.341 13.054 1.00 0.00 N ATOM 754 CA ASN A 48 -5.428 -6.660 14.331 1.00 0.00 C ATOM 755 C ASN A 48 -4.572 -5.410 14.334 1.00 0.00 C ATOM 756 O ASN A 48 -4.916 -4.410 14.958 1.00 0.00 O ATOM 757 CB ASN A 48 -5.041 -7.580 15.494 1.00 0.00 C ATOM 758 CG ASN A 48 -6.116 -7.642 16.560 1.00 0.00 C ATOM 759 OD1 ASN A 48 -6.340 -6.677 17.292 1.00 0.00 O ATOM 760 ND2 ASN A 48 -6.789 -8.784 16.656 1.00 0.00 N ATOM 0 H ASN A 48 -4.538 -8.044 13.033 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.474 -6.384 14.464 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.852 -8.584 15.113 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.111 -7.227 15.939 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.523 -8.886 17.356 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.571 -9.559 16.029 1.00 0.00 H new ATOM 767 N LEU A 49 -3.474 -5.461 13.589 1.00 0.00 N ATOM 768 CA LEU A 49 -2.595 -4.314 13.457 1.00 0.00 C ATOM 769 C LEU A 49 -3.401 -3.199 12.834 1.00 0.00 C ATOM 770 O LEU A 49 -3.626 -2.151 13.428 1.00 0.00 O ATOM 771 CB LEU A 49 -1.420 -4.666 12.550 1.00 0.00 C ATOM 772 CG LEU A 49 -0.126 -4.981 13.276 1.00 0.00 C ATOM 773 CD1 LEU A 49 0.999 -5.197 12.278 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.201 -3.857 14.240 1.00 0.00 C ATOM 0 H LEU A 49 -3.175 -6.286 13.069 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.203 -4.014 14.429 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.696 -5.526 11.939 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.244 -3.834 11.868 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.244 -5.902 13.847 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.922 -5.422 12.813 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.748 -6.030 11.621 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.136 -4.294 11.683 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.131 -4.084 14.761 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.313 -2.924 13.687 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.606 -3.754 14.966 1.00 0.00 H new ATOM 786 N ILE A 50 -3.869 -3.492 11.636 1.00 0.00 N ATOM 787 CA ILE A 50 -4.719 -2.586 10.880 1.00 0.00 C ATOM 788 C ILE A 50 -5.883 -2.125 11.747 1.00 0.00 C ATOM 789 O ILE A 50 -6.032 -0.945 12.061 1.00 0.00 O ATOM 790 CB ILE A 50 -5.322 -3.304 9.655 1.00 0.00 C ATOM 791 CG1 ILE A 50 -4.252 -3.981 8.812 1.00 0.00 C ATOM 792 CG2 ILE A 50 -6.144 -2.348 8.808 1.00 0.00 C ATOM 793 CD1 ILE A 50 -4.715 -5.318 8.281 1.00 0.00 C ATOM 0 H ILE A 50 -3.670 -4.369 11.155 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.106 -1.742 10.563 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.984 -4.082 10.035 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.983 -3.333 7.978 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.352 -4.120 9.411 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.556 -2.883 7.952 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.958 -1.939 9.407 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.509 -1.535 8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.921 -5.767 7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.959 -5.976 9.115 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.599 -5.176 7.660 1.00 0.00 H new ATOM 805 N MET A 51 -6.705 -3.098 12.112 1.00 0.00 N ATOM 806 CA MET A 51 -7.889 -2.888 12.927 1.00 0.00 C ATOM 807 C MET A 51 -7.606 -2.078 14.193 1.00 0.00 C ATOM 808 O MET A 51 -8.412 -1.237 14.591 1.00 0.00 O ATOM 809 CB MET A 51 -8.459 -4.260 13.294 1.00 0.00 C ATOM 810 CG MET A 51 -9.913 -4.225 13.738 1.00 0.00 C ATOM 811 SD MET A 51 -11.065 -4.200 12.348 1.00 0.00 S ATOM 812 CE MET A 51 -10.225 -5.268 11.179 1.00 0.00 C ATOM 0 H MET A 51 -6.564 -4.072 11.845 1.00 0.00 H new ATOM 0 HA MET A 51 -8.605 -2.304 12.349 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.368 -4.922 12.433 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.856 -4.691 14.093 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.120 -5.096 14.360 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.078 -3.344 14.358 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.936 -5.621 10.432 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.428 -4.712 10.686 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.799 -6.121 11.707 1.00 0.00 H new ATOM 822 N ASP A 52 -6.479 -2.352 14.839 1.00 0.00 N ATOM 823 CA ASP A 52 -6.117 -1.663 16.080 1.00 0.00 C ATOM 824 C ASP A 52 -5.278 -0.407 15.845 1.00 0.00 C ATOM 825 O ASP A 52 -5.203 0.460 16.718 1.00 0.00 O ATOM 826 CB ASP A 52 -5.362 -2.618 17.006 1.00 0.00 C ATOM 827 CG ASP A 52 -6.164 -3.863 17.332 1.00 0.00 C ATOM 828 OD1 ASP A 52 -6.935 -4.319 16.460 1.00 0.00 O ATOM 829 OD2 ASP A 52 -6.018 -4.385 18.458 1.00 0.00 O ATOM 0 H ASP A 52 -5.798 -3.045 14.528 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.050 -1.343 16.544 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.422 -2.908 16.536 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.110 -2.099 17.931 1.00 0.00 H new ATOM 834 N MET A 53 -4.620 -0.316 14.695 1.00 0.00 N ATOM 835 CA MET A 53 -3.763 0.833 14.403 1.00 0.00 C ATOM 836 C MET A 53 -4.244 1.630 13.194 1.00 0.00 C ATOM 837 O MET A 53 -4.686 2.771 13.326 1.00 0.00 O ATOM 838 CB MET A 53 -2.323 0.369 14.172 1.00 0.00 C ATOM 839 CG MET A 53 -1.680 -0.254 15.400 1.00 0.00 C ATOM 840 SD MET A 53 -1.052 0.979 16.555 1.00 0.00 S ATOM 841 CE MET A 53 0.157 1.818 15.532 1.00 0.00 C ATOM 0 H MET A 53 -4.661 -1.016 13.954 1.00 0.00 H new ATOM 0 HA MET A 53 -3.809 1.493 15.269 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.310 -0.356 13.358 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.723 1.220 13.850 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.410 -0.884 15.908 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.862 -0.903 15.087 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.695 2.551 16.132 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.862 1.090 15.130 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.350 2.324 14.710 1.00 0.00 H new ATOM 851 N VAL A 54 -4.133 1.034 12.013 1.00 0.00 N ATOM 852 CA VAL A 54 -4.535 1.697 10.777 1.00 0.00 C ATOM 853 C VAL A 54 -5.988 2.159 10.829 1.00 0.00 C ATOM 854 O VAL A 54 -6.283 3.334 10.622 1.00 0.00 O ATOM 855 CB VAL A 54 -4.341 0.772 9.561 1.00 0.00 C ATOM 856 CG1 VAL A 54 -4.768 1.467 8.276 1.00 0.00 C ATOM 857 CG2 VAL A 54 -2.892 0.311 9.466 1.00 0.00 C ATOM 0 H VAL A 54 -3.767 0.091 11.884 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.894 2.572 10.670 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.974 -0.105 9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.621 0.793 7.432 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.821 1.741 8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.168 2.365 8.132 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.774 -0.342 8.601 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.241 1.178 9.358 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.623 -0.234 10.371 1.00 0.00 H new ATOM 867 N LEU A 55 -6.891 1.225 11.096 1.00 0.00 N ATOM 868 CA LEU A 55 -8.319 1.526 11.162 1.00 0.00 C ATOM 869 C LEU A 55 -8.604 2.769 11.999 1.00 0.00 C ATOM 870 O LEU A 55 -9.191 3.732 11.507 1.00 0.00 O ATOM 871 CB LEU A 55 -9.082 0.328 11.710 1.00 0.00 C ATOM 872 CG LEU A 55 -9.660 -0.600 10.641 1.00 0.00 C ATOM 873 CD1 LEU A 55 -10.827 0.056 9.933 1.00 0.00 C ATOM 874 CD2 LEU A 55 -8.598 -1.005 9.642 1.00 0.00 C ATOM 0 H LEU A 55 -6.660 0.247 11.272 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.659 1.735 10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.415 -0.249 12.351 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.896 0.689 12.339 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.020 -1.500 11.140 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.222 -0.623 9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.608 0.287 10.657 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.492 0.976 9.455 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.036 -1.665 8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.200 -0.116 9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.792 -1.527 10.159 1.00 0.00 H new ATOM 886 N PRO A 56 -8.194 2.773 13.277 1.00 0.00 N ATOM 887 CA PRO A 56 -8.417 3.917 14.163 1.00 0.00 C ATOM 888 C PRO A 56 -7.640 5.160 13.730 1.00 0.00 C ATOM 889 O PRO A 56 -7.634 6.167 14.436 1.00 0.00 O ATOM 890 CB PRO A 56 -7.925 3.425 15.528 1.00 0.00 C ATOM 891 CG PRO A 56 -6.986 2.308 15.222 1.00 0.00 C ATOM 892 CD PRO A 56 -7.489 1.672 13.958 1.00 0.00 C ATOM 0 HA PRO A 56 -9.463 4.225 14.160 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.424 4.222 16.077 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.755 3.084 16.147 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.969 2.679 15.093 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.961 1.586 16.038 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.671 1.283 13.351 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.157 0.836 14.167 1.00 0.00 H new ATOM 900 N LYS A 57 -6.994 5.096 12.563 1.00 0.00 N ATOM 901 CA LYS A 57 -6.235 6.232 12.056 1.00 0.00 C ATOM 902 C LYS A 57 -6.196 6.198 10.534 1.00 0.00 C ATOM 903 O LYS A 57 -5.281 6.737 9.910 1.00 0.00 O ATOM 904 CB LYS A 57 -4.815 6.224 12.625 1.00 0.00 C ATOM 905 CG LYS A 57 -4.381 7.568 13.188 1.00 0.00 C ATOM 906 CD LYS A 57 -3.686 8.414 12.135 1.00 0.00 C ATOM 907 CE LYS A 57 -4.121 9.870 12.211 1.00 0.00 C ATOM 908 NZ LYS A 57 -3.079 10.732 12.835 1.00 0.00 N ATOM 0 H LYS A 57 -6.983 4.274 11.959 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.728 7.151 12.374 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.751 5.472 13.411 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.119 5.925 11.841 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.251 8.102 13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.709 7.410 14.032 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.606 8.349 12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.909 8.018 11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.341 10.235 11.208 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.044 9.943 12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.416 11.715 12.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.887 10.400 13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.206 10.683 12.272 1.00 0.00 H new ATOM 922 N VAL A 58 -7.197 5.554 9.944 1.00 0.00 N ATOM 923 CA VAL A 58 -7.287 5.434 8.502 1.00 0.00 C ATOM 924 C VAL A 58 -7.887 6.688 7.885 1.00 0.00 C ATOM 925 O VAL A 58 -8.690 7.382 8.509 1.00 0.00 O ATOM 926 CB VAL A 58 -8.132 4.208 8.105 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.602 4.435 8.425 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.950 3.877 6.632 1.00 0.00 C ATOM 0 H VAL A 58 -7.960 5.106 10.451 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.274 5.306 8.121 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.783 3.357 8.691 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.177 3.556 8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.719 4.609 9.495 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.964 5.303 7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.557 3.008 6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.262 4.728 6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.901 3.657 6.435 1.00 0.00 H new ATOM 938 N VAL A 59 -7.494 6.967 6.654 1.00 0.00 N ATOM 939 CA VAL A 59 -7.986 8.132 5.940 1.00 0.00 C ATOM 940 C VAL A 59 -9.036 7.726 4.915 1.00 0.00 C ATOM 941 O VAL A 59 -8.866 6.728 4.214 1.00 0.00 O ATOM 942 CB VAL A 59 -6.844 8.857 5.208 1.00 0.00 C ATOM 943 CG1 VAL A 59 -7.311 10.206 4.683 1.00 0.00 C ATOM 944 CG2 VAL A 59 -5.633 9.017 6.115 1.00 0.00 C ATOM 0 H VAL A 59 -6.832 6.399 6.126 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.426 8.803 6.678 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.547 8.246 4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.487 10.701 4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.137 10.059 3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.644 10.825 5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.839 9.532 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.911 9.599 6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.280 8.034 6.428 1.00 0.00 H new ATOM 1052 N VAL A 66 -3.886 5.199 -1.122 1.00 0.00 N ATOM 1053 CA VAL A 66 -2.903 4.251 -0.607 1.00 0.00 C ATOM 1054 C VAL A 66 -1.855 4.967 0.241 1.00 0.00 C ATOM 1055 O VAL A 66 -0.723 5.178 -0.199 1.00 0.00 O ATOM 1056 CB VAL A 66 -2.196 3.516 -1.761 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -1.459 2.282 -1.257 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -3.196 3.145 -2.845 1.00 0.00 C ATOM 0 HA VAL A 66 -3.436 3.527 0.010 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.456 4.191 -2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.970 1.783 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.710 2.580 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.170 1.598 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.681 2.626 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.962 2.493 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.663 4.050 -3.234 1.00 0.00 H new ATOM 1068 N THR A 67 -2.239 5.350 1.455 1.00 0.00 N ATOM 1069 CA THR A 67 -1.331 6.054 2.355 1.00 0.00 C ATOM 1070 C THR A 67 -0.823 5.131 3.458 1.00 0.00 C ATOM 1071 O THR A 67 -1.569 4.308 3.987 1.00 0.00 O ATOM 1072 CB THR A 67 -2.032 7.267 2.967 1.00 0.00 C ATOM 1073 OG1 THR A 67 -2.240 8.270 1.988 1.00 0.00 O ATOM 1074 CG2 THR A 67 -1.270 7.897 4.115 1.00 0.00 C ATOM 0 H THR A 67 -3.170 5.185 1.838 1.00 0.00 H new ATOM 0 HA THR A 67 -0.473 6.391 1.773 1.00 0.00 H new ATOM 0 HB THR A 67 -2.976 6.884 3.354 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.691 9.038 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.829 8.751 4.498 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.139 7.163 4.910 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.293 8.230 3.764 1.00 0.00 H new ATOM 1082 N LYS A 68 0.453 5.283 3.805 1.00 0.00 N ATOM 1083 CA LYS A 68 1.061 4.470 4.850 1.00 0.00 C ATOM 1084 C LYS A 68 0.790 5.071 6.222 1.00 0.00 C ATOM 1085 O LYS A 68 0.794 6.291 6.389 1.00 0.00 O ATOM 1086 CB LYS A 68 2.568 4.350 4.625 1.00 0.00 C ATOM 1087 CG LYS A 68 3.149 3.027 5.102 1.00 0.00 C ATOM 1088 CD LYS A 68 4.668 3.072 5.157 1.00 0.00 C ATOM 1089 CE LYS A 68 5.161 3.516 6.524 1.00 0.00 C ATOM 1090 NZ LYS A 68 6.441 2.849 6.895 1.00 0.00 N ATOM 0 H LYS A 68 1.083 5.961 3.377 1.00 0.00 H new ATOM 0 HA LYS A 68 0.617 3.476 4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.779 4.469 3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.071 5.167 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.755 2.791 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.832 2.227 4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.071 2.086 4.926 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.041 3.756 4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.301 4.597 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.403 3.291 7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.463 2.686 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.514 1.938 6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.240 3.456 6.624 1.00 0.00 H new ATOM 1104 N MET A 69 0.551 4.207 7.202 1.00 0.00 N ATOM 1105 CA MET A 69 0.278 4.657 8.564 1.00 0.00 C ATOM 1106 C MET A 69 1.435 5.494 9.099 1.00 0.00 C ATOM 1107 O MET A 69 1.231 6.418 9.889 1.00 0.00 O ATOM 1108 CB MET A 69 0.028 3.454 9.479 1.00 0.00 C ATOM 1109 CG MET A 69 -1.443 3.203 9.774 1.00 0.00 C ATOM 1110 SD MET A 69 -2.286 4.659 10.427 1.00 0.00 S ATOM 1111 CE MET A 69 -2.214 4.332 12.184 1.00 0.00 C ATOM 0 H MET A 69 0.540 3.194 7.081 1.00 0.00 H new ATOM 0 HA MET A 69 -0.617 5.280 8.546 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.454 2.563 9.017 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.556 3.609 10.420 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.942 2.880 8.860 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.531 2.387 10.491 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.211 4.084 12.549 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.540 3.496 12.371 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.847 5.217 12.704 1.00 0.00 H new ATOM 1121 N SER A 70 2.647 5.166 8.668 1.00 0.00 N ATOM 1122 CA SER A 70 3.835 5.886 9.106 1.00 0.00 C ATOM 1123 C SER A 70 4.023 5.761 10.613 1.00 0.00 C ATOM 1124 O SER A 70 4.618 6.628 11.251 1.00 0.00 O ATOM 1125 CB SER A 70 3.746 7.361 8.708 1.00 0.00 C ATOM 1126 OG SER A 70 4.361 7.589 7.451 1.00 0.00 O ATOM 0 H SER A 70 2.832 4.405 8.015 1.00 0.00 H new ATOM 0 HA SER A 70 4.699 5.440 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.701 7.667 8.666 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.227 7.976 9.469 1.00 0.00 H new ATOM 0 HG SER A 70 4.289 8.538 7.219 1.00 0.00 H new ATOM 1132 N MET A 71 3.512 4.669 11.170 1.00 0.00 N ATOM 1133 CA MET A 71 3.625 4.415 12.604 1.00 0.00 C ATOM 1134 C MET A 71 4.564 3.243 12.876 1.00 0.00 C ATOM 1135 O MET A 71 4.943 2.996 14.022 1.00 0.00 O ATOM 1136 CB MET A 71 2.251 4.116 13.211 1.00 0.00 C ATOM 1137 CG MET A 71 1.120 4.942 12.623 1.00 0.00 C ATOM 1138 SD MET A 71 1.057 6.614 13.296 1.00 0.00 S ATOM 1139 CE MET A 71 0.006 6.361 14.724 1.00 0.00 C ATOM 0 H MET A 71 3.015 3.945 10.652 1.00 0.00 H new ATOM 0 HA MET A 71 4.034 5.313 13.067 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.026 3.059 13.070 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.294 4.292 14.286 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.239 4.995 11.541 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.171 4.441 12.816 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.286 7.062 15.511 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.034 6.527 14.444 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.126 5.340 15.088 1.00 0.00 H new ATOM 1149 N ASN A 72 4.927 2.515 11.823 1.00 0.00 N ATOM 1150 CA ASN A 72 5.808 1.364 11.963 1.00 0.00 C ATOM 1151 C ASN A 72 5.145 0.300 12.830 1.00 0.00 C ATOM 1152 O ASN A 72 5.662 -0.076 13.882 1.00 0.00 O ATOM 1153 CB ASN A 72 7.147 1.789 12.573 1.00 0.00 C ATOM 1154 CG ASN A 72 8.321 1.042 11.968 1.00 0.00 C ATOM 1155 OD1 ASN A 72 9.373 1.623 11.711 1.00 0.00 O ATOM 1156 ND2 ASN A 72 8.142 -0.254 11.735 1.00 0.00 N ATOM 0 H ASN A 72 4.625 2.703 10.867 1.00 0.00 H new ATOM 0 HA ASN A 72 5.996 0.944 10.975 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.287 2.860 12.426 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.125 1.615 13.649 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.895 -0.808 11.327 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.251 -0.695 11.964 1.00 0.00 H new ATOM 1163 N LEU A 73 3.988 -0.177 12.378 1.00 0.00 N ATOM 1164 CA LEU A 73 3.241 -1.193 13.106 1.00 0.00 C ATOM 1165 C LEU A 73 4.083 -2.447 13.296 1.00 0.00 C ATOM 1166 O LEU A 73 4.209 -2.966 14.405 1.00 0.00 O ATOM 1167 CB LEU A 73 1.949 -1.525 12.362 1.00 0.00 C ATOM 1168 CG LEU A 73 0.856 -0.460 12.470 1.00 0.00 C ATOM 1169 CD1 LEU A 73 1.284 0.821 11.773 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.448 -0.973 11.883 1.00 0.00 C ATOM 0 H LEU A 73 3.549 0.126 11.509 1.00 0.00 H new ATOM 0 HA LEU A 73 2.989 -0.801 14.091 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.182 -1.681 11.309 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.558 -2.468 12.745 1.00 0.00 H new ATOM 0 HG LEU A 73 0.697 -0.240 13.526 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.493 1.565 11.862 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.194 1.202 12.238 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.473 0.616 10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.214 -0.202 11.969 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.301 -1.223 10.832 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.766 -1.863 12.426 1.00 0.00 H new ATOM 1182 N ILE A 74 4.666 -2.921 12.205 1.00 0.00 N ATOM 1183 CA ILE A 74 5.507 -4.107 12.240 1.00 0.00 C ATOM 1184 C ILE A 74 6.763 -3.906 11.395 1.00 0.00 C ATOM 1185 O ILE A 74 6.772 -3.113 10.455 1.00 0.00 O ATOM 1186 CB ILE A 74 4.737 -5.354 11.750 1.00 0.00 C ATOM 1187 CG1 ILE A 74 4.095 -6.072 12.939 1.00 0.00 C ATOM 1188 CG2 ILE A 74 5.648 -6.306 10.977 1.00 0.00 C ATOM 1189 CD1 ILE A 74 3.601 -7.463 12.613 1.00 0.00 C ATOM 0 H ILE A 74 4.571 -2.500 11.281 1.00 0.00 H new ATOM 0 HA ILE A 74 5.801 -4.269 13.277 1.00 0.00 H new ATOM 0 HB ILE A 74 3.954 -5.023 11.068 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.821 -6.134 13.750 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.259 -5.475 13.305 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.074 -7.172 10.647 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.059 -5.791 10.109 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.462 -6.635 11.623 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.159 -7.910 13.503 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.851 -7.407 11.824 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.437 -8.076 12.276 1.00 0.00 H new ATOM 1201 N ASP A 75 7.816 -4.639 11.735 1.00 0.00 N ATOM 1202 CA ASP A 75 9.074 -4.551 11.005 1.00 0.00 C ATOM 1203 C ASP A 75 9.153 -5.640 9.943 1.00 0.00 C ATOM 1204 O ASP A 75 8.687 -6.760 10.152 1.00 0.00 O ATOM 1205 CB ASP A 75 10.259 -4.664 11.966 1.00 0.00 C ATOM 1206 CG ASP A 75 11.569 -4.266 11.317 1.00 0.00 C ATOM 1207 OD1 ASP A 75 11.689 -3.097 10.891 1.00 0.00 O ATOM 1208 OD2 ASP A 75 12.477 -5.118 11.238 1.00 0.00 O ATOM 0 H ASP A 75 7.824 -5.301 12.511 1.00 0.00 H new ATOM 0 HA ASP A 75 9.116 -3.580 10.511 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.080 -4.031 12.835 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.333 -5.689 12.328 1.00 0.00 H new ATOM 1213 N GLY A 76 9.734 -5.300 8.802 1.00 0.00 N ATOM 1214 CA GLY A 76 9.853 -6.258 7.719 1.00 0.00 C ATOM 1215 C GLY A 76 8.866 -5.978 6.604 1.00 0.00 C ATOM 1216 O GLY A 76 9.173 -6.179 5.428 1.00 0.00 O ATOM 0 H GLY A 76 10.125 -4.379 8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.867 -6.231 7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.689 -7.264 8.105 1.00 0.00 H new ATOM 1220 N PHE A 77 7.677 -5.511 6.974 1.00 0.00 N ATOM 1221 CA PHE A 77 6.642 -5.202 5.992 1.00 0.00 C ATOM 1222 C PHE A 77 6.368 -3.697 5.946 1.00 0.00 C ATOM 1223 O PHE A 77 7.099 -2.905 6.537 1.00 0.00 O ATOM 1224 CB PHE A 77 5.348 -5.950 6.326 1.00 0.00 C ATOM 1225 CG PHE A 77 5.559 -7.290 6.976 1.00 0.00 C ATOM 1226 CD1 PHE A 77 6.233 -8.303 6.313 1.00 0.00 C ATOM 1227 CD2 PHE A 77 5.078 -7.536 8.252 1.00 0.00 C ATOM 1228 CE1 PHE A 77 6.421 -9.537 6.909 1.00 0.00 C ATOM 1229 CE2 PHE A 77 5.263 -8.766 8.854 1.00 0.00 C ATOM 1230 CZ PHE A 77 5.934 -9.766 8.182 1.00 0.00 C ATOM 0 H PHE A 77 7.407 -5.339 7.942 1.00 0.00 H new ATOM 0 HA PHE A 77 7.000 -5.524 5.014 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.743 -5.329 6.987 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.776 -6.090 5.409 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.616 -8.127 5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.552 -6.756 8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.947 -10.319 6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.883 -8.944 9.849 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.079 -10.728 8.651 1.00 0.00 H new ATOM 1240 N ASP A 78 5.306 -3.316 5.240 1.00 0.00 N ATOM 1241 CA ASP A 78 4.924 -1.912 5.112 1.00 0.00 C ATOM 1242 C ASP A 78 3.399 -1.779 5.090 1.00 0.00 C ATOM 1243 O ASP A 78 2.736 -2.322 4.208 1.00 0.00 O ATOM 1244 CB ASP A 78 5.522 -1.304 3.840 1.00 0.00 C ATOM 1245 CG ASP A 78 6.554 -0.233 4.138 1.00 0.00 C ATOM 1246 OD1 ASP A 78 7.422 0.013 3.275 1.00 0.00 O ATOM 1247 OD2 ASP A 78 6.493 0.359 5.236 1.00 0.00 O ATOM 0 H ASP A 78 4.692 -3.963 4.746 1.00 0.00 H new ATOM 0 HA ASP A 78 5.315 -1.370 5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.983 -2.093 3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.723 -0.876 3.235 1.00 0.00 H new ATOM 1252 N CYS A 79 2.852 -1.072 6.077 1.00 0.00 N ATOM 1253 CA CYS A 79 1.406 -0.891 6.184 1.00 0.00 C ATOM 1254 C CYS A 79 0.899 0.297 5.368 1.00 0.00 C ATOM 1255 O CYS A 79 1.030 1.452 5.780 1.00 0.00 O ATOM 1256 CB CYS A 79 1.006 -0.715 7.649 1.00 0.00 C ATOM 1257 SG CYS A 79 -0.613 -1.405 8.062 1.00 0.00 S ATOM 0 H CYS A 79 3.389 -0.615 6.814 1.00 0.00 H new ATOM 0 HA CYS A 79 0.943 -1.789 5.774 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.761 -1.185 8.279 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.008 0.348 7.889 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.513 -2.694 8.199 1.00 0.00 H new ATOM 1263 N PHE A 80 0.295 0.001 4.220 1.00 0.00 N ATOM 1264 CA PHE A 80 -0.266 1.029 3.345 1.00 0.00 C ATOM 1265 C PHE A 80 -1.774 0.823 3.197 1.00 0.00 C ATOM 1266 O PHE A 80 -2.211 -0.224 2.725 1.00 0.00 O ATOM 1267 CB PHE A 80 0.398 0.971 1.965 1.00 0.00 C ATOM 1268 CG PHE A 80 1.749 1.622 1.904 1.00 0.00 C ATOM 1269 CD1 PHE A 80 1.893 2.903 1.391 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.877 0.953 2.351 1.00 0.00 C ATOM 1271 CE1 PHE A 80 3.136 3.502 1.326 1.00 0.00 C ATOM 1272 CE2 PHE A 80 4.122 1.550 2.290 1.00 0.00 C ATOM 1273 CZ PHE A 80 4.252 2.825 1.776 1.00 0.00 C ATOM 0 H PHE A 80 0.181 -0.951 3.871 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.077 2.006 3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.496 -0.072 1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.257 1.451 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.023 3.438 1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.782 -0.046 2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.235 4.499 0.923 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.993 1.019 2.644 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.225 3.292 1.726 1.00 0.00 H new ATOM 1283 N TYR A 81 -2.571 1.811 3.604 1.00 0.00 N ATOM 1284 CA TYR A 81 -4.026 1.688 3.506 1.00 0.00 C ATOM 1285 C TYR A 81 -4.609 2.609 2.439 1.00 0.00 C ATOM 1286 O TYR A 81 -4.064 3.672 2.145 1.00 0.00 O ATOM 1287 CB TYR A 81 -4.692 1.969 4.857 1.00 0.00 C ATOM 1288 CG TYR A 81 -4.294 3.282 5.491 1.00 0.00 C ATOM 1289 CD1 TYR A 81 -3.301 3.333 6.460 1.00 0.00 C ATOM 1290 CD2 TYR A 81 -4.914 4.476 5.128 1.00 0.00 C ATOM 1291 CE1 TYR A 81 -2.935 4.528 7.046 1.00 0.00 C ATOM 1292 CE2 TYR A 81 -4.552 5.674 5.711 1.00 0.00 C ATOM 1293 CZ TYR A 81 -3.563 5.695 6.669 1.00 0.00 C ATOM 1294 OH TYR A 81 -3.199 6.887 7.252 1.00 0.00 O ATOM 0 H TYR A 81 -2.241 2.692 3.999 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.235 0.660 3.212 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.774 1.958 4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.447 1.159 5.544 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.806 2.421 6.761 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.691 4.464 4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.159 4.548 7.797 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.042 6.590 5.417 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.028 7.553 6.554 1.00 0.00 H new ATOM 1304 N SER A 82 -5.734 2.182 1.873 1.00 0.00 N ATOM 1305 CA SER A 82 -6.431 2.940 0.841 1.00 0.00 C ATOM 1306 C SER A 82 -7.933 2.677 0.927 1.00 0.00 C ATOM 1307 O SER A 82 -8.374 1.536 0.795 1.00 0.00 O ATOM 1308 CB SER A 82 -5.920 2.552 -0.547 1.00 0.00 C ATOM 1309 OG SER A 82 -6.157 3.589 -1.485 1.00 0.00 O ATOM 0 H SER A 82 -6.187 1.301 2.117 1.00 0.00 H new ATOM 0 HA SER A 82 -6.239 4.001 1.002 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.852 2.338 -0.498 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.414 1.638 -0.878 1.00 0.00 H new ATOM 0 HG SER A 82 -5.334 4.104 -1.618 1.00 0.00 H new ATOM 1315 N THR A 83 -8.719 3.724 1.164 1.00 0.00 N ATOM 1316 CA THR A 83 -10.164 3.568 1.272 1.00 0.00 C ATOM 1317 C THR A 83 -10.840 3.702 -0.086 1.00 0.00 C ATOM 1318 O THR A 83 -10.339 4.387 -0.978 1.00 0.00 O ATOM 1319 CB THR A 83 -10.753 4.581 2.254 1.00 0.00 C ATOM 1320 OG1 THR A 83 -10.488 5.905 1.827 1.00 0.00 O ATOM 1321 CG2 THR A 83 -10.220 4.433 3.661 1.00 0.00 C ATOM 0 H THR A 83 -8.383 4.680 1.284 1.00 0.00 H new ATOM 0 HA THR A 83 -10.354 2.564 1.651 1.00 0.00 H new ATOM 0 HB THR A 83 -11.824 4.379 2.269 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.932 6.359 2.495 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.680 5.183 4.305 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.456 3.438 4.037 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.139 4.572 3.657 1.00 0.00 H new ATOM 1329 N ASP A 84 -11.980 3.035 -0.236 1.00 0.00 N ATOM 1330 CA ASP A 84 -12.735 3.067 -1.483 1.00 0.00 C ATOM 1331 C ASP A 84 -12.925 4.498 -1.972 1.00 0.00 C ATOM 1332 O ASP A 84 -13.150 5.415 -1.182 1.00 0.00 O ATOM 1333 CB ASP A 84 -14.092 2.386 -1.303 1.00 0.00 C ATOM 1334 CG ASP A 84 -14.622 1.800 -2.597 1.00 0.00 C ATOM 1335 OD1 ASP A 84 -14.147 2.215 -3.675 1.00 0.00 O ATOM 1336 OD2 ASP A 84 -15.511 0.925 -2.533 1.00 0.00 O ATOM 0 H ASP A 84 -12.403 2.463 0.495 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.164 2.523 -2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.002 1.594 -0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.809 3.109 -0.914 1.00 0.00 H new ATOM 1341 N ASP A 85 -12.823 4.680 -3.283 1.00 0.00 N ATOM 1342 CA ASP A 85 -12.970 5.997 -3.891 1.00 0.00 C ATOM 1343 C ASP A 85 -14.348 6.597 -3.623 1.00 0.00 C ATOM 1344 O ASP A 85 -14.550 7.800 -3.792 1.00 0.00 O ATOM 1345 CB ASP A 85 -12.729 5.911 -5.400 1.00 0.00 C ATOM 1346 CG ASP A 85 -12.756 7.271 -6.069 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -12.280 8.247 -5.450 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -13.254 7.361 -7.210 1.00 0.00 O ATOM 0 H ASP A 85 -12.638 3.929 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.226 6.651 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.765 5.438 -5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -13.489 5.273 -5.851 1.00 0.00 H new ATOM 1353 N HIS A 86 -15.300 5.762 -3.212 1.00 0.00 N ATOM 1354 CA HIS A 86 -16.655 6.235 -2.937 1.00 0.00 C ATOM 1355 C HIS A 86 -17.329 5.412 -1.842 1.00 0.00 C ATOM 1356 O HIS A 86 -18.558 5.373 -1.754 1.00 0.00 O ATOM 1357 CB HIS A 86 -17.496 6.182 -4.214 1.00 0.00 C ATOM 1358 CG HIS A 86 -17.722 4.793 -4.726 1.00 0.00 C ATOM 1359 ND1 HIS A 86 -17.181 3.673 -4.132 1.00 0.00 N ATOM 1360 CD2 HIS A 86 -18.438 4.345 -5.786 1.00 0.00 C ATOM 1361 CE1 HIS A 86 -17.554 2.597 -4.800 1.00 0.00 C ATOM 1362 NE2 HIS A 86 -18.317 2.975 -5.808 1.00 0.00 N ATOM 0 H HIS A 86 -15.160 4.763 -3.063 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.582 7.264 -2.586 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.461 6.651 -4.023 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -17.003 6.770 -4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -18.999 4.950 -6.483 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -17.281 1.580 -4.562 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -18.747 2.353 -6.492 1.00 0.00 H new ATOM 1371 N ASP A 87 -16.529 4.753 -1.010 1.00 0.00 N ATOM 1372 CA ASP A 87 -17.068 3.933 0.068 1.00 0.00 C ATOM 1373 C ASP A 87 -16.102 3.860 1.248 1.00 0.00 C ATOM 1374 O ASP A 87 -15.174 3.052 1.248 1.00 0.00 O ATOM 1375 CB ASP A 87 -17.372 2.524 -0.443 1.00 0.00 C ATOM 1376 CG ASP A 87 -18.828 2.351 -0.830 1.00 0.00 C ATOM 1377 OD1 ASP A 87 -19.108 1.556 -1.753 1.00 0.00 O ATOM 1378 OD2 ASP A 87 -19.691 3.005 -0.206 1.00 0.00 O ATOM 0 H ASP A 87 -15.510 4.771 -1.061 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.991 4.400 0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -16.742 2.310 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -17.115 1.798 0.328 1.00 0.00 H new ATOM 1383 N PRO A 88 -16.312 4.698 2.280 1.00 0.00 N ATOM 1384 CA PRO A 88 -15.453 4.706 3.469 1.00 0.00 C ATOM 1385 C PRO A 88 -15.548 3.397 4.252 1.00 0.00 C ATOM 1386 O PRO A 88 -14.708 3.112 5.104 1.00 0.00 O ATOM 1387 CB PRO A 88 -15.994 5.873 4.300 1.00 0.00 C ATOM 1388 CG PRO A 88 -17.398 6.058 3.833 1.00 0.00 C ATOM 1389 CD PRO A 88 -17.399 5.688 2.377 1.00 0.00 C ATOM 0 HA PRO A 88 -14.399 4.811 3.212 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -15.959 5.649 5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.404 6.776 4.144 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.084 5.426 4.397 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.724 7.088 3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.356 5.267 2.069 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -17.213 6.554 1.741 1.00 0.00 H new ATOM 1397 N LYS A 89 -16.572 2.601 3.946 1.00 0.00 N ATOM 1398 CA LYS A 89 -16.768 1.318 4.609 1.00 0.00 C ATOM 1399 C LYS A 89 -16.187 0.190 3.761 1.00 0.00 C ATOM 1400 O LYS A 89 -16.667 -0.943 3.797 1.00 0.00 O ATOM 1401 CB LYS A 89 -18.256 1.069 4.865 1.00 0.00 C ATOM 1402 CG LYS A 89 -19.141 1.377 3.667 1.00 0.00 C ATOM 1403 CD LYS A 89 -19.893 2.684 3.848 1.00 0.00 C ATOM 1404 CE LYS A 89 -20.844 2.946 2.690 1.00 0.00 C ATOM 1405 NZ LYS A 89 -22.085 3.635 3.134 1.00 0.00 N ATOM 0 H LYS A 89 -17.277 2.824 3.243 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.249 1.342 5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.397 0.027 5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.578 1.678 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.529 1.430 2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.853 0.564 3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -20.455 2.655 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.182 3.506 3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.341 3.554 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.105 2.001 2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.705 3.795 2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.579 3.044 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.839 4.549 3.565 1.00 0.00 H new ATOM 1419 N THR A 90 -15.147 0.517 3.004 1.00 0.00 N ATOM 1420 CA THR A 90 -14.477 -0.450 2.143 1.00 0.00 C ATOM 1421 C THR A 90 -13.027 -0.042 1.948 1.00 0.00 C ATOM 1422 O THR A 90 -12.619 0.378 0.866 1.00 0.00 O ATOM 1423 CB THR A 90 -15.199 -0.552 0.795 1.00 0.00 C ATOM 1424 OG1 THR A 90 -16.470 -1.155 0.952 1.00 0.00 O ATOM 1425 CG2 THR A 90 -14.438 -1.350 -0.243 1.00 0.00 C ATOM 0 H THR A 90 -14.746 1.454 2.969 1.00 0.00 H new ATOM 0 HA THR A 90 -14.504 -1.431 2.616 1.00 0.00 H new ATOM 0 HB THR A 90 -15.287 0.475 0.441 1.00 0.00 H new ATOM 0 HG1 THR A 90 -16.647 -1.302 1.905 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.010 -1.379 -1.171 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.472 -0.880 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.284 -2.366 0.120 1.00 0.00 H new ATOM 1433 N VAL A 91 -12.264 -0.168 3.021 1.00 0.00 N ATOM 1434 CA VAL A 91 -10.857 0.184 3.010 1.00 0.00 C ATOM 1435 C VAL A 91 -10.033 -0.852 2.258 1.00 0.00 C ATOM 1436 O VAL A 91 -10.562 -1.848 1.774 1.00 0.00 O ATOM 1437 CB VAL A 91 -10.300 0.344 4.445 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -9.249 1.444 4.495 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -11.426 0.629 5.432 1.00 0.00 C ATOM 0 H VAL A 91 -12.602 -0.515 3.919 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.777 1.141 2.495 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.825 -0.594 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.871 1.540 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.427 1.193 3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.696 2.388 4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.012 0.738 6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.935 1.550 5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.137 -0.197 5.421 1.00 0.00 H new ATOM 1449 N TYR A 92 -8.736 -0.600 2.169 1.00 0.00 N ATOM 1450 CA TYR A 92 -7.812 -1.497 1.480 1.00 0.00 C ATOM 1451 C TYR A 92 -6.422 -1.379 2.088 1.00 0.00 C ATOM 1452 O TYR A 92 -5.719 -0.396 1.857 1.00 0.00 O ATOM 1453 CB TYR A 92 -7.741 -1.167 -0.015 1.00 0.00 C ATOM 1454 CG TYR A 92 -9.074 -1.168 -0.726 1.00 0.00 C ATOM 1455 CD1 TYR A 92 -9.569 -0.004 -1.298 1.00 0.00 C ATOM 1456 CD2 TYR A 92 -9.832 -2.325 -0.832 1.00 0.00 C ATOM 1457 CE1 TYR A 92 -10.782 0.007 -1.957 1.00 0.00 C ATOM 1458 CE2 TYR A 92 -11.048 -2.323 -1.489 1.00 0.00 C ATOM 1459 CZ TYR A 92 -11.519 -1.153 -2.049 1.00 0.00 C ATOM 1460 OH TYR A 92 -12.728 -1.147 -2.705 1.00 0.00 O ATOM 0 H TYR A 92 -8.293 0.227 2.569 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.180 -2.516 1.597 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.281 -0.186 -0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.085 -1.888 -0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.995 0.908 -1.226 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.466 -3.242 -0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.151 0.921 -2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.626 -3.232 -1.564 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.118 -2.046 -2.680 1.00 0.00 H new ATOM 1470 N VAL A 93 -6.032 -2.370 2.874 1.00 0.00 N ATOM 1471 CA VAL A 93 -4.729 -2.352 3.522 1.00 0.00 C ATOM 1472 C VAL A 93 -3.781 -3.369 2.898 1.00 0.00 C ATOM 1473 O VAL A 93 -4.005 -4.577 2.970 1.00 0.00 O ATOM 1474 CB VAL A 93 -4.874 -2.598 5.038 1.00 0.00 C ATOM 1475 CG1 VAL A 93 -3.546 -2.957 5.696 1.00 0.00 C ATOM 1476 CG2 VAL A 93 -5.479 -1.367 5.691 1.00 0.00 C ATOM 0 H VAL A 93 -6.596 -3.195 3.079 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.296 -1.363 3.371 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.534 -3.454 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.701 -3.120 6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.150 -3.866 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.837 -2.142 5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.583 -1.537 6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.829 -0.509 5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.460 -1.170 5.258 1.00 0.00 H new ATOM 1486 N CYS A 94 -2.716 -2.858 2.287 1.00 0.00 N ATOM 1487 CA CYS A 94 -1.721 -3.703 1.647 1.00 0.00 C ATOM 1488 C CYS A 94 -0.398 -3.664 2.405 1.00 0.00 C ATOM 1489 O CYS A 94 0.263 -2.627 2.495 1.00 0.00 O ATOM 1490 CB CYS A 94 -1.509 -3.275 0.193 1.00 0.00 C ATOM 1491 SG CYS A 94 -0.762 -1.641 -0.002 1.00 0.00 S ATOM 0 H CYS A 94 -2.522 -1.859 2.223 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.093 -4.728 1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -0.876 -4.012 -0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.471 -3.285 -0.320 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.249 -0.832 0.891 1.00 0.00 H new ATOM 1497 N PHE A 95 -0.023 -4.814 2.935 1.00 0.00 N ATOM 1498 CA PHE A 95 1.217 -4.969 3.676 1.00 0.00 C ATOM 1499 C PHE A 95 2.338 -5.341 2.719 1.00 0.00 C ATOM 1500 O PHE A 95 2.643 -6.520 2.539 1.00 0.00 O ATOM 1501 CB PHE A 95 1.066 -6.063 4.735 1.00 0.00 C ATOM 1502 CG PHE A 95 0.807 -5.546 6.120 1.00 0.00 C ATOM 1503 CD1 PHE A 95 1.858 -5.197 6.949 1.00 0.00 C ATOM 1504 CD2 PHE A 95 -0.489 -5.429 6.596 1.00 0.00 C ATOM 1505 CE1 PHE A 95 1.623 -4.738 8.229 1.00 0.00 C ATOM 1506 CE2 PHE A 95 -0.730 -4.968 7.875 1.00 0.00 C ATOM 1507 CZ PHE A 95 0.328 -4.623 8.691 1.00 0.00 C ATOM 0 H PHE A 95 -0.572 -5.671 2.864 1.00 0.00 H new ATOM 0 HA PHE A 95 1.454 -4.027 4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.247 -6.722 4.446 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.973 -6.668 4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.873 -5.285 6.591 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.319 -5.701 5.960 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.451 -4.469 8.868 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.744 -4.878 8.236 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.142 -4.263 9.692 1.00 0.00 H new ATOM 1517 N THR A 96 2.938 -4.339 2.092 1.00 0.00 N ATOM 1518 CA THR A 96 4.016 -4.579 1.141 1.00 0.00 C ATOM 1519 C THR A 96 5.354 -4.678 1.853 1.00 0.00 C ATOM 1520 O THR A 96 5.518 -4.165 2.956 1.00 0.00 O ATOM 1521 CB THR A 96 4.059 -3.468 0.095 1.00 0.00 C ATOM 1522 OG1 THR A 96 3.898 -2.197 0.703 1.00 0.00 O ATOM 1523 CG2 THR A 96 2.988 -3.607 -0.967 1.00 0.00 C ATOM 0 H THR A 96 2.699 -3.356 2.223 1.00 0.00 H new ATOM 0 HA THR A 96 3.822 -5.528 0.641 1.00 0.00 H new ATOM 0 HB THR A 96 5.036 -3.556 -0.380 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.688 -1.646 0.523 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.073 -2.786 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.114 -4.555 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.005 -3.579 -0.498 1.00 0.00 H new ATOM 1531 N LEU A 97 6.312 -5.341 1.220 1.00 0.00 N ATOM 1532 CA LEU A 97 7.634 -5.499 1.804 1.00 0.00 C ATOM 1533 C LEU A 97 8.371 -4.165 1.830 1.00 0.00 C ATOM 1534 O LEU A 97 8.461 -3.477 0.815 1.00 0.00 O ATOM 1535 CB LEU A 97 8.421 -6.539 1.025 1.00 0.00 C ATOM 1536 CG LEU A 97 7.713 -7.884 0.910 1.00 0.00 C ATOM 1537 CD1 LEU A 97 8.402 -8.751 -0.112 1.00 0.00 C ATOM 1538 CD2 LEU A 97 7.661 -8.585 2.258 1.00 0.00 C ATOM 0 H LEU A 97 6.198 -5.776 0.305 1.00 0.00 H new ATOM 0 HA LEU A 97 7.528 -5.842 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.620 -6.156 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.387 -6.687 1.507 1.00 0.00 H new ATOM 0 HG LEU A 97 6.689 -7.706 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.886 -9.708 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.383 -8.255 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.436 -8.918 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.151 -9.542 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.675 -8.752 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.119 -7.963 2.971 1.00 0.00 H new ATOM 1550 N VAL A 98 8.878 -3.795 3.005 1.00 0.00 N ATOM 1551 CA VAL A 98 9.595 -2.531 3.177 1.00 0.00 C ATOM 1552 C VAL A 98 10.552 -2.253 2.021 1.00 0.00 C ATOM 1553 O VAL A 98 10.747 -1.102 1.629 1.00 0.00 O ATOM 1554 CB VAL A 98 10.389 -2.500 4.499 1.00 0.00 C ATOM 1555 CG1 VAL A 98 9.513 -2.002 5.640 1.00 0.00 C ATOM 1556 CG2 VAL A 98 10.966 -3.871 4.819 1.00 0.00 C ATOM 0 H VAL A 98 8.805 -4.354 3.855 1.00 0.00 H new ATOM 0 HA VAL A 98 8.830 -1.755 3.198 1.00 0.00 H new ATOM 0 HB VAL A 98 11.220 -1.805 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.092 -1.988 6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.162 -0.995 5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.657 -2.667 5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.521 -3.822 5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.156 -4.594 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.635 -4.181 4.016 1.00 0.00 H new ATOM 1566 N ASP A 99 11.145 -3.308 1.478 1.00 0.00 N ATOM 1567 CA ASP A 99 12.079 -3.167 0.367 1.00 0.00 C ATOM 1568 C ASP A 99 11.380 -2.576 -0.856 1.00 0.00 C ATOM 1569 O ASP A 99 11.965 -1.783 -1.593 1.00 0.00 O ATOM 1570 CB ASP A 99 12.701 -4.520 0.017 1.00 0.00 C ATOM 1571 CG ASP A 99 14.087 -4.685 0.611 1.00 0.00 C ATOM 1572 OD1 ASP A 99 14.326 -5.712 1.280 1.00 0.00 O ATOM 1573 OD2 ASP A 99 14.932 -3.789 0.407 1.00 0.00 O ATOM 0 H ASP A 99 10.997 -4.269 1.787 1.00 0.00 H new ATOM 0 HA ASP A 99 12.872 -2.485 0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.055 -5.320 0.379 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.758 -4.622 -1.067 1.00 0.00 H new ATOM 1578 N ILE A 100 10.126 -2.962 -1.061 1.00 0.00 N ATOM 1579 CA ILE A 100 9.343 -2.465 -2.186 1.00 0.00 C ATOM 1580 C ILE A 100 9.134 -0.956 -2.076 1.00 0.00 C ATOM 1581 O ILE A 100 8.825 -0.444 -1.001 1.00 0.00 O ATOM 1582 CB ILE A 100 7.966 -3.152 -2.263 1.00 0.00 C ATOM 1583 CG1 ILE A 100 8.129 -4.680 -2.192 1.00 0.00 C ATOM 1584 CG2 ILE A 100 7.234 -2.727 -3.530 1.00 0.00 C ATOM 1585 CD1 ILE A 100 7.409 -5.442 -3.287 1.00 0.00 C ATOM 0 H ILE A 100 9.628 -3.620 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 100 9.906 -2.694 -3.091 1.00 0.00 H new ATOM 0 HB ILE A 100 7.364 -2.840 -1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.191 -4.922 -2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.764 -5.027 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.263 -3.220 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.093 -1.646 -3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.822 -3.011 -4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.579 -6.511 -3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.340 -5.235 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.789 -5.128 -4.259 1.00 0.00 H new ATOM 1597 N PRO A 101 9.289 -0.218 -3.192 1.00 0.00 N ATOM 1598 CA PRO A 101 9.106 1.235 -3.198 1.00 0.00 C ATOM 1599 C PRO A 101 7.685 1.631 -2.814 1.00 0.00 C ATOM 1600 O PRO A 101 6.911 0.806 -2.327 1.00 0.00 O ATOM 1601 CB PRO A 101 9.404 1.637 -4.647 1.00 0.00 C ATOM 1602 CG PRO A 101 9.248 0.385 -5.439 1.00 0.00 C ATOM 1603 CD PRO A 101 9.648 -0.735 -4.522 1.00 0.00 C ATOM 0 HA PRO A 101 9.751 1.730 -2.472 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.716 2.409 -4.991 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.411 2.042 -4.744 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.219 0.263 -5.779 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.877 0.405 -6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.115 -1.657 -4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.713 -0.956 -4.595 1.00 0.00 H new ATOM 1611 N LYS A 102 7.346 2.895 -3.035 1.00 0.00 N ATOM 1612 CA LYS A 102 6.015 3.395 -2.708 1.00 0.00 C ATOM 1613 C LYS A 102 5.209 3.666 -3.975 1.00 0.00 C ATOM 1614 O LYS A 102 4.892 4.812 -4.287 1.00 0.00 O ATOM 1615 CB LYS A 102 6.118 4.671 -1.871 1.00 0.00 C ATOM 1616 CG LYS A 102 4.879 4.957 -1.038 1.00 0.00 C ATOM 1617 CD LYS A 102 4.155 6.206 -1.520 1.00 0.00 C ATOM 1618 CE LYS A 102 3.524 6.968 -0.367 1.00 0.00 C ATOM 1619 NZ LYS A 102 2.037 6.953 -0.438 1.00 0.00 N ATOM 0 H LYS A 102 7.972 3.592 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 102 5.499 2.630 -2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.980 4.592 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.302 5.516 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.203 4.103 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.163 5.081 0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.857 6.854 -2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.383 5.926 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.847 6.530 0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.877 7.999 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.646 7.484 0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.727 7.394 -1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.698 5.971 -0.403 1.00 0.00 H new ATOM 1633 N ILE A 103 4.881 2.602 -4.705 1.00 0.00 N ATOM 1634 CA ILE A 103 4.113 2.736 -5.935 1.00 0.00 C ATOM 1635 C ILE A 103 3.286 1.489 -6.220 1.00 0.00 C ATOM 1636 O ILE A 103 2.112 1.588 -6.575 1.00 0.00 O ATOM 1637 CB ILE A 103 5.028 3.044 -7.138 1.00 0.00 C ATOM 1638 CG1 ILE A 103 4.198 3.255 -8.408 1.00 0.00 C ATOM 1639 CG2 ILE A 103 6.041 1.927 -7.337 1.00 0.00 C ATOM 1640 CD1 ILE A 103 3.476 4.584 -8.442 1.00 0.00 C ATOM 0 H ILE A 103 5.135 1.643 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 103 3.432 3.575 -5.791 1.00 0.00 H new ATOM 0 HB ILE A 103 5.571 3.966 -6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.853 3.184 -9.277 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.467 2.451 -8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.678 2.161 -8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.655 1.829 -6.442 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.517 0.989 -7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.908 4.666 -9.369 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.796 4.650 -7.593 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.203 5.394 -8.389 1.00 0.00 H new ATOM 1652 N LEU A 104 3.885 0.313 -6.054 1.00 0.00 N ATOM 1653 CA LEU A 104 3.154 -0.928 -6.291 1.00 0.00 C ATOM 1654 C LEU A 104 1.927 -0.976 -5.393 1.00 0.00 C ATOM 1655 O LEU A 104 0.800 -0.983 -5.884 1.00 0.00 O ATOM 1656 CB LEU A 104 4.027 -2.172 -6.056 1.00 0.00 C ATOM 1657 CG LEU A 104 3.249 -3.498 -5.953 1.00 0.00 C ATOM 1658 CD1 LEU A 104 3.437 -4.342 -7.206 1.00 0.00 C ATOM 1659 CD2 LEU A 104 3.663 -4.283 -4.715 1.00 0.00 C ATOM 0 H LEU A 104 4.855 0.193 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 104 2.851 -0.939 -7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.747 -2.252 -6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.598 -2.030 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 104 2.191 -3.252 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.877 -5.272 -7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.074 -3.791 -8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.495 -4.568 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.098 -5.214 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.728 -4.508 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.460 -3.690 -3.823 1.00 0.00 H new ATOM 1671 N PRO A 105 2.122 -0.986 -4.059 1.00 0.00 N ATOM 1672 CA PRO A 105 1.018 -1.014 -3.104 1.00 0.00 C ATOM 1673 C PRO A 105 -0.052 0.002 -3.474 1.00 0.00 C ATOM 1674 O PRO A 105 -1.248 -0.237 -3.298 1.00 0.00 O ATOM 1675 CB PRO A 105 1.673 -0.649 -1.761 1.00 0.00 C ATOM 1676 CG PRO A 105 3.086 -0.275 -2.079 1.00 0.00 C ATOM 1677 CD PRO A 105 3.420 -0.951 -3.377 1.00 0.00 C ATOM 0 HA PRO A 105 0.517 -1.982 -3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.149 0.179 -1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.638 -1.490 -1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.192 0.806 -2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.761 -0.599 -1.287 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.163 -0.392 -3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.824 -1.951 -3.222 1.00 0.00 H new ATOM 1685 N ILE A 106 0.396 1.128 -4.013 1.00 0.00 N ATOM 1686 CA ILE A 106 -0.507 2.183 -4.438 1.00 0.00 C ATOM 1687 C ILE A 106 -1.310 1.722 -5.649 1.00 0.00 C ATOM 1688 O ILE A 106 -2.498 2.021 -5.777 1.00 0.00 O ATOM 1689 CB ILE A 106 0.268 3.470 -4.777 1.00 0.00 C ATOM 1690 CG1 ILE A 106 0.923 4.044 -3.521 1.00 0.00 C ATOM 1691 CG2 ILE A 106 -0.635 4.503 -5.429 1.00 0.00 C ATOM 1692 CD1 ILE A 106 2.198 3.332 -3.126 1.00 0.00 C ATOM 0 H ILE A 106 1.384 1.332 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.188 2.403 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 106 1.049 3.213 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.141 5.099 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.215 3.990 -2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.058 5.399 -5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.048 4.095 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.448 4.757 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.608 3.792 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.982 2.282 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.923 3.409 -3.936 1.00 0.00 H new ATOM 1704 N ARG A 107 -0.650 0.970 -6.522 1.00 0.00 N ATOM 1705 CA ARG A 107 -1.290 0.438 -7.716 1.00 0.00 C ATOM 1706 C ARG A 107 -2.082 -0.823 -7.384 1.00 0.00 C ATOM 1707 O ARG A 107 -3.009 -1.191 -8.105 1.00 0.00 O ATOM 1708 CB ARG A 107 -0.244 0.130 -8.789 1.00 0.00 C ATOM 1709 CG ARG A 107 0.070 1.312 -9.692 1.00 0.00 C ATOM 1710 CD ARG A 107 -0.656 1.208 -11.025 1.00 0.00 C ATOM 1711 NE ARG A 107 -1.595 2.309 -11.223 1.00 0.00 N ATOM 1712 CZ ARG A 107 -1.235 3.531 -11.610 1.00 0.00 C ATOM 1713 NH1 ARG A 107 0.042 3.811 -11.843 1.00 0.00 N ATOM 1714 NH2 ARG A 107 -2.154 4.475 -11.765 1.00 0.00 N ATOM 0 H ARG A 107 0.333 0.715 -6.423 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.978 1.192 -8.099 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.675 -0.200 -8.304 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.597 -0.700 -9.401 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.216 2.238 -9.193 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.145 1.362 -9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 107 0.073 1.203 -11.835 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.193 0.261 -11.073 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.585 2.131 -11.055 1.00 0.00 H new ATOM 0 HH11 ARG A 107 0.752 3.088 -11.726 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.313 4.749 -12.139 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.136 4.265 -11.588 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.878 5.411 -12.061 1.00 0.00 H new ATOM 1728 N ILE A 108 -1.718 -1.482 -6.283 1.00 0.00 N ATOM 1729 CA ILE A 108 -2.407 -2.694 -5.858 1.00 0.00 C ATOM 1730 C ILE A 108 -3.821 -2.367 -5.403 1.00 0.00 C ATOM 1731 O ILE A 108 -4.780 -3.008 -5.828 1.00 0.00 O ATOM 1732 CB ILE A 108 -1.648 -3.417 -4.724 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -0.211 -3.695 -5.148 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -2.345 -4.719 -4.353 1.00 0.00 C ATOM 1735 CD1 ILE A 108 -0.106 -4.417 -6.471 1.00 0.00 C ATOM 0 H ILE A 108 -0.952 -1.195 -5.673 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.447 -3.364 -6.717 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.641 -2.768 -3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.330 -2.751 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.279 -4.290 -4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.793 -5.212 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.360 -4.506 -4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -2.382 -5.373 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.944 -4.583 -6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.619 -5.376 -6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.567 -3.813 -7.253 1.00 0.00 H new ATOM 1747 N LEU A 109 -3.950 -1.349 -4.557 1.00 0.00 N ATOM 1748 CA LEU A 109 -5.262 -0.934 -4.078 1.00 0.00 C ATOM 1749 C LEU A 109 -6.003 -0.209 -5.187 1.00 0.00 C ATOM 1750 O LEU A 109 -7.123 -0.574 -5.540 1.00 0.00 O ATOM 1751 CB LEU A 109 -5.133 -0.040 -2.842 1.00 0.00 C ATOM 1752 CG LEU A 109 -4.815 -0.770 -1.529 1.00 0.00 C ATOM 1753 CD1 LEU A 109 -4.936 -2.280 -1.692 1.00 0.00 C ATOM 1754 CD2 LEU A 109 -3.426 -0.398 -1.036 1.00 0.00 C ATOM 0 H LEU A 109 -3.170 -0.802 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.828 -1.820 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.350 0.696 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.065 0.511 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.547 -0.454 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.705 -2.768 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.953 -2.533 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.237 -2.621 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.217 -0.924 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.686 -0.680 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.377 0.677 -0.864 1.00 0.00 H new ATOM 1766 N SER A 110 -5.355 0.799 -5.764 1.00 0.00 N ATOM 1767 CA SER A 110 -5.951 1.537 -6.867 1.00 0.00 C ATOM 1768 C SER A 110 -6.249 0.573 -8.006 1.00 0.00 C ATOM 1769 O SER A 110 -7.193 0.763 -8.773 1.00 0.00 O ATOM 1770 CB SER A 110 -5.016 2.651 -7.344 1.00 0.00 C ATOM 1771 OG SER A 110 -5.750 3.738 -7.877 1.00 0.00 O ATOM 0 H SER A 110 -4.427 1.119 -5.488 1.00 0.00 H new ATOM 0 HA SER A 110 -6.877 2.001 -6.528 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.402 2.996 -6.512 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.337 2.260 -8.102 1.00 0.00 H new ATOM 0 HG SER A 110 -5.130 4.437 -8.173 1.00 0.00 H new ATOM 1777 N GLY A 111 -5.442 -0.485 -8.085 1.00 0.00 N ATOM 1778 CA GLY A 111 -5.636 -1.494 -9.101 1.00 0.00 C ATOM 1779 C GLY A 111 -6.812 -2.384 -8.762 1.00 0.00 C ATOM 1780 O GLY A 111 -7.673 -2.633 -9.606 1.00 0.00 O ATOM 0 H GLY A 111 -4.656 -0.656 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.803 -1.016 -10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.734 -2.098 -9.196 1.00 0.00 H new ATOM 1784 N LEU A 112 -6.866 -2.843 -7.510 1.00 0.00 N ATOM 1785 CA LEU A 112 -7.972 -3.682 -7.057 1.00 0.00 C ATOM 1786 C LEU A 112 -9.283 -2.951 -7.297 1.00 0.00 C ATOM 1787 O LEU A 112 -10.312 -3.563 -7.586 1.00 0.00 O ATOM 1788 CB LEU A 112 -7.830 -4.030 -5.566 1.00 0.00 C ATOM 1789 CG LEU A 112 -6.718 -5.029 -5.213 1.00 0.00 C ATOM 1790 CD1 LEU A 112 -6.254 -4.825 -3.778 1.00 0.00 C ATOM 1791 CD2 LEU A 112 -7.194 -6.458 -5.406 1.00 0.00 C ATOM 0 H LEU A 112 -6.162 -2.649 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.958 -4.615 -7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.652 -3.108 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.780 -4.434 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.878 -4.850 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.466 -5.541 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.870 -3.812 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.093 -4.976 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.389 -7.147 -5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.052 -6.646 -4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.483 -6.608 -6.446 1.00 0.00 H new ATOM 1803 N GLN A 113 -9.229 -1.625 -7.195 1.00 0.00 N ATOM 1804 CA GLN A 113 -10.398 -0.794 -7.423 1.00 0.00 C ATOM 1805 C GLN A 113 -10.680 -0.680 -8.917 1.00 0.00 C ATOM 1806 O GLN A 113 -11.774 -0.288 -9.322 1.00 0.00 O ATOM 1807 CB GLN A 113 -10.190 0.596 -6.821 1.00 0.00 C ATOM 1808 CG GLN A 113 -10.226 0.613 -5.303 1.00 0.00 C ATOM 1809 CD GLN A 113 -10.105 2.012 -4.731 1.00 0.00 C ATOM 1810 OE1 GLN A 113 -9.253 2.275 -3.881 1.00 0.00 O ATOM 1811 NE2 GLN A 113 -10.956 2.917 -5.197 1.00 0.00 N ATOM 0 H GLN A 113 -8.384 -1.106 -6.955 1.00 0.00 H new ATOM 0 HA GLN A 113 -11.255 -1.260 -6.937 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.231 0.989 -7.158 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.960 1.267 -7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.158 0.164 -4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.415 -0.004 -4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -11.645 2.654 -5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -10.921 3.876 -4.851 1.00 0.00 H new ATOM 1820 N GLU A 114 -9.691 -1.040 -9.741 1.00 0.00 N ATOM 1821 CA GLU A 114 -9.852 -0.988 -11.183 1.00 0.00 C ATOM 1822 C GLU A 114 -10.738 -2.133 -11.653 1.00 0.00 C ATOM 1823 O GLU A 114 -11.384 -2.042 -12.696 1.00 0.00 O ATOM 1824 CB GLU A 114 -8.489 -1.060 -11.876 1.00 0.00 C ATOM 1825 CG GLU A 114 -8.405 -0.215 -13.136 1.00 0.00 C ATOM 1826 CD GLU A 114 -7.226 -0.591 -14.012 1.00 0.00 C ATOM 1827 OE1 GLU A 114 -7.110 -1.781 -14.375 1.00 0.00 O ATOM 1828 OE2 GLU A 114 -6.418 0.304 -14.337 1.00 0.00 O ATOM 0 H GLU A 114 -8.777 -1.368 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.327 -0.042 -11.445 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.718 -0.735 -11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.273 -2.098 -12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.327 -0.327 -13.706 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.327 0.836 -12.859 1.00 0.00 H new ATOM 1835 N TYR A 115 -10.767 -3.211 -10.871 1.00 0.00 N ATOM 1836 CA TYR A 115 -11.581 -4.365 -11.215 1.00 0.00 C ATOM 1837 C TYR A 115 -13.013 -4.199 -10.698 1.00 0.00 C ATOM 1838 O TYR A 115 -13.867 -3.654 -11.396 1.00 0.00 O ATOM 1839 CB TYR A 115 -10.957 -5.645 -10.652 1.00 0.00 C ATOM 1840 CG TYR A 115 -9.645 -6.030 -11.299 1.00 0.00 C ATOM 1841 CD1 TYR A 115 -8.562 -5.164 -11.287 1.00 0.00 C ATOM 1842 CD2 TYR A 115 -9.493 -7.265 -11.915 1.00 0.00 C ATOM 1843 CE1 TYR A 115 -7.361 -5.516 -11.873 1.00 0.00 C ATOM 1844 CE2 TYR A 115 -8.295 -7.625 -12.503 1.00 0.00 C ATOM 1845 CZ TYR A 115 -7.234 -6.748 -12.479 1.00 0.00 C ATOM 1846 OH TYR A 115 -6.039 -7.100 -13.063 1.00 0.00 O ATOM 0 H TYR A 115 -10.239 -3.305 -10.003 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.618 -4.442 -12.302 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -10.798 -5.518 -9.581 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.664 -6.465 -10.774 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -8.659 -4.199 -10.812 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -10.324 -7.955 -11.935 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -6.527 -4.830 -11.856 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.192 -8.589 -12.979 1.00 0.00 H new ATOM 0 HH TYR A 115 -6.208 -7.708 -13.813 1.00 0.00 H new ATOM 1856 N GLU A 116 -13.261 -4.674 -9.472 1.00 0.00 N ATOM 1857 CA GLU A 116 -14.581 -4.594 -8.840 1.00 0.00 C ATOM 1858 C GLU A 116 -14.680 -5.626 -7.718 1.00 0.00 C ATOM 1859 O GLU A 116 -15.375 -5.417 -6.724 1.00 0.00 O ATOM 1860 CB GLU A 116 -15.704 -4.829 -9.863 1.00 0.00 C ATOM 1861 CG GLU A 116 -17.072 -5.056 -9.237 1.00 0.00 C ATOM 1862 CD GLU A 116 -18.171 -4.274 -9.931 1.00 0.00 C ATOM 1863 OE1 GLU A 116 -18.358 -3.086 -9.595 1.00 0.00 O ATOM 1864 OE2 GLU A 116 -18.842 -4.851 -10.813 1.00 0.00 O ATOM 0 H GLU A 116 -12.553 -5.124 -8.892 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.700 -3.592 -8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.759 -3.969 -10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.448 -5.693 -10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.311 -6.119 -9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.038 -4.771 -8.185 1.00 0.00 H new ATOM 1871 N SER A 117 -13.976 -6.738 -7.896 1.00 0.00 N ATOM 1872 CA SER A 117 -13.967 -7.818 -6.916 1.00 0.00 C ATOM 1873 C SER A 117 -12.680 -7.811 -6.107 1.00 0.00 C ATOM 1874 O SER A 117 -11.586 -7.632 -6.638 1.00 0.00 O ATOM 1875 CB SER A 117 -14.140 -9.167 -7.619 1.00 0.00 C ATOM 1876 OG SER A 117 -14.968 -10.036 -6.863 1.00 0.00 O ATOM 0 H SER A 117 -13.399 -6.916 -8.718 1.00 0.00 H new ATOM 0 HA SER A 117 -14.800 -7.662 -6.230 1.00 0.00 H new ATOM 0 HB2 SER A 117 -14.576 -9.013 -8.606 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.165 -9.629 -7.770 1.00 0.00 H new ATOM 0 HG SER A 117 -15.387 -10.690 -7.460 1.00 0.00 H new ATOM 1882 N ASN A 118 -12.838 -8.013 -4.813 1.00 0.00 N ATOM 1883 CA ASN A 118 -11.719 -8.043 -3.883 1.00 0.00 C ATOM 1884 C ASN A 118 -12.245 -8.211 -2.468 1.00 0.00 C ATOM 1885 O ASN A 118 -11.700 -7.649 -1.518 1.00 0.00 O ATOM 1886 CB ASN A 118 -10.894 -6.757 -3.987 1.00 0.00 C ATOM 1887 CG ASN A 118 -11.760 -5.516 -4.110 1.00 0.00 C ATOM 1888 OD1 ASN A 118 -12.003 -5.020 -5.210 1.00 0.00 O ATOM 1889 ND2 ASN A 118 -12.230 -5.008 -2.976 1.00 0.00 N ATOM 0 H ASN A 118 -13.746 -8.161 -4.373 1.00 0.00 H new ATOM 0 HA ASN A 118 -11.073 -8.884 -4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -10.258 -6.666 -3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -10.234 -6.822 -4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -12.817 -4.174 -2.995 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -12.003 -5.452 -2.086 1.00 0.00 H new ATOM 1896 N ALA A 119 -13.335 -8.967 -2.343 1.00 0.00 N ATOM 1897 CA ALA A 119 -13.966 -9.188 -1.045 1.00 0.00 C ATOM 1898 C ALA A 119 -13.801 -10.623 -0.540 1.00 0.00 C ATOM 1899 O ALA A 119 -14.680 -11.136 0.153 1.00 0.00 O ATOM 1900 CB ALA A 119 -15.440 -8.831 -1.125 1.00 0.00 C ATOM 0 H ALA A 119 -13.797 -9.435 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 119 -13.461 -8.541 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -15.908 -8.997 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.546 -7.783 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -15.926 -9.457 -1.874 1.00 0.00 H new ATOM 1906 N THR A 120 -12.680 -11.267 -0.859 1.00 0.00 N ATOM 1907 CA THR A 120 -12.444 -12.629 -0.393 1.00 0.00 C ATOM 1908 C THR A 120 -10.963 -12.849 -0.119 1.00 0.00 C ATOM 1909 O THR A 120 -10.108 -12.292 -0.804 1.00 0.00 O ATOM 1910 CB THR A 120 -12.960 -13.661 -1.409 1.00 0.00 C ATOM 1911 OG1 THR A 120 -11.886 -14.325 -2.052 1.00 0.00 O ATOM 1912 CG2 THR A 120 -13.842 -13.068 -2.488 1.00 0.00 C ATOM 0 H THR A 120 -11.932 -10.874 -1.430 1.00 0.00 H new ATOM 0 HA THR A 120 -12.996 -12.766 0.537 1.00 0.00 H new ATOM 0 HB THR A 120 -13.557 -14.355 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 120 -11.558 -15.049 -1.478 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.167 -13.857 -3.167 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.714 -12.602 -2.030 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.281 -12.318 -3.046 1.00 0.00 H new ATOM 1920 N ASN A 121 -10.660 -13.669 0.879 1.00 0.00 N ATOM 1921 CA ASN A 121 -9.272 -13.958 1.229 1.00 0.00 C ATOM 1922 C ASN A 121 -8.585 -14.787 0.159 1.00 0.00 C ATOM 1923 O ASN A 121 -7.623 -15.503 0.435 1.00 0.00 O ATOM 1924 CB ASN A 121 -9.200 -14.675 2.578 1.00 0.00 C ATOM 1925 CG ASN A 121 -10.000 -15.964 2.590 1.00 0.00 C ATOM 1926 OD1 ASN A 121 -9.539 -16.999 2.112 1.00 0.00 O ATOM 1927 ND2 ASN A 121 -11.207 -15.903 3.141 1.00 0.00 N ATOM 0 H ASN A 121 -11.351 -14.144 1.459 1.00 0.00 H new ATOM 0 HA ASN A 121 -8.747 -13.006 1.302 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -8.159 -14.894 2.815 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -9.572 -14.012 3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -11.793 -16.737 3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -11.548 -15.022 3.525 1.00 0.00 H new ATOM 1934 N GLU A 122 -9.063 -14.670 -1.072 1.00 0.00 N ATOM 1935 CA GLU A 122 -8.480 -15.387 -2.181 1.00 0.00 C ATOM 1936 C GLU A 122 -9.024 -14.831 -3.485 1.00 0.00 C ATOM 1937 O GLU A 122 -9.088 -15.535 -4.493 1.00 0.00 O ATOM 1938 CB GLU A 122 -8.777 -16.885 -2.074 1.00 0.00 C ATOM 1939 CG GLU A 122 -7.590 -17.707 -1.596 1.00 0.00 C ATOM 1940 CD GLU A 122 -7.802 -19.196 -1.778 1.00 0.00 C ATOM 1941 OE1 GLU A 122 -8.383 -19.590 -2.811 1.00 0.00 O ATOM 1942 OE2 GLU A 122 -7.389 -19.968 -0.888 1.00 0.00 O ATOM 0 H GLU A 122 -9.857 -14.081 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.398 -15.256 -2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.611 -17.034 -1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.096 -17.255 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -6.698 -17.401 -2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -7.407 -17.496 -0.542 1.00 0.00 H new ATOM 1949 N LEU A 123 -9.420 -13.560 -3.459 1.00 0.00 N ATOM 1950 CA LEU A 123 -9.958 -12.920 -4.635 1.00 0.00 C ATOM 1951 C LEU A 123 -9.170 -11.665 -4.936 1.00 0.00 C ATOM 1952 O LEU A 123 -8.589 -11.525 -6.011 1.00 0.00 O ATOM 1953 CB LEU A 123 -11.423 -12.598 -4.413 1.00 0.00 C ATOM 1954 CG LEU A 123 -12.166 -12.151 -5.653 1.00 0.00 C ATOM 1955 CD1 LEU A 123 -13.653 -12.367 -5.467 1.00 0.00 C ATOM 1956 CD2 LEU A 123 -11.851 -10.698 -5.949 1.00 0.00 C ATOM 0 H LEU A 123 -9.375 -12.963 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.877 -13.591 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.918 -13.481 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.499 -11.815 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.842 -12.746 -6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -14.183 -12.043 -6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.848 -13.425 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -14.000 -11.788 -4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -12.390 -10.384 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -12.157 -10.080 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.779 -10.584 -6.112 1.00 0.00 H new ATOM 1968 N LEU A 124 -9.119 -10.766 -3.964 1.00 0.00 N ATOM 1969 CA LEU A 124 -8.357 -9.542 -4.119 1.00 0.00 C ATOM 1970 C LEU A 124 -6.941 -9.908 -4.542 1.00 0.00 C ATOM 1971 O LEU A 124 -6.358 -9.277 -5.424 1.00 0.00 O ATOM 1972 CB LEU A 124 -8.367 -8.748 -2.811 1.00 0.00 C ATOM 1973 CG LEU A 124 -7.053 -8.725 -2.029 1.00 0.00 C ATOM 1974 CD1 LEU A 124 -6.744 -7.318 -1.569 1.00 0.00 C ATOM 1975 CD2 LEU A 124 -7.124 -9.682 -0.852 1.00 0.00 C ATOM 0 H LEU A 124 -9.594 -10.862 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.803 -8.908 -4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.651 -7.720 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.143 -9.159 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.245 -9.053 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -5.806 -7.315 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.655 -6.663 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.548 -6.961 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.182 -9.656 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.937 -9.385 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -7.304 -10.694 -1.216 1.00 0.00 H new ATOM 1987 N SER A 125 -6.412 -10.959 -3.916 1.00 0.00 N ATOM 1988 CA SER A 125 -5.077 -11.444 -4.238 1.00 0.00 C ATOM 1989 C SER A 125 -4.927 -11.614 -5.747 1.00 0.00 C ATOM 1990 O SER A 125 -3.829 -11.486 -6.297 1.00 0.00 O ATOM 1991 CB SER A 125 -4.820 -12.786 -3.544 1.00 0.00 C ATOM 1992 OG SER A 125 -3.662 -13.421 -4.061 1.00 0.00 O ATOM 0 H SER A 125 -6.889 -11.487 -3.185 1.00 0.00 H new ATOM 0 HA SER A 125 -4.350 -10.713 -3.886 1.00 0.00 H new ATOM 0 HB2 SER A 125 -4.702 -12.627 -2.472 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.684 -13.437 -3.676 1.00 0.00 H new ATOM 0 HG SER A 125 -2.865 -13.051 -3.627 1.00 0.00 H new ATOM 1998 N SER A 126 -6.044 -11.903 -6.410 1.00 0.00 N ATOM 1999 CA SER A 126 -6.045 -12.097 -7.852 1.00 0.00 C ATOM 2000 C SER A 126 -5.605 -10.844 -8.575 1.00 0.00 C ATOM 2001 O SER A 126 -4.575 -10.828 -9.253 1.00 0.00 O ATOM 2002 CB SER A 126 -7.440 -12.492 -8.322 1.00 0.00 C ATOM 2003 OG SER A 126 -7.380 -13.404 -9.403 1.00 0.00 O ATOM 0 H SER A 126 -6.958 -12.007 -5.969 1.00 0.00 H new ATOM 0 HA SER A 126 -5.338 -12.894 -8.084 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.991 -12.940 -7.495 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.990 -11.601 -8.625 1.00 0.00 H new ATOM 0 HG SER A 126 -8.289 -13.641 -9.682 1.00 0.00 H new ATOM 2009 N HIS A 127 -6.391 -9.794 -8.431 1.00 0.00 N ATOM 2010 CA HIS A 127 -6.086 -8.536 -9.074 1.00 0.00 C ATOM 2011 C HIS A 127 -4.731 -8.031 -8.612 1.00 0.00 C ATOM 2012 O HIS A 127 -4.015 -7.383 -9.365 1.00 0.00 O ATOM 2013 CB HIS A 127 -7.187 -7.520 -8.788 1.00 0.00 C ATOM 2014 CG HIS A 127 -8.554 -8.057 -9.077 1.00 0.00 C ATOM 2015 ND1 HIS A 127 -9.717 -7.410 -8.721 1.00 0.00 N ATOM 2016 CD2 HIS A 127 -8.938 -9.198 -9.700 1.00 0.00 C ATOM 2017 CE1 HIS A 127 -10.755 -8.129 -9.110 1.00 0.00 C ATOM 2018 NE2 HIS A 127 -10.310 -9.217 -9.707 1.00 0.00 N ATOM 0 H HIS A 127 -7.245 -9.790 -7.874 1.00 0.00 H new ATOM 0 HA HIS A 127 -6.040 -8.684 -10.153 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -7.133 -7.216 -7.743 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -7.017 -6.627 -9.389 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -8.285 -9.952 -10.114 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -11.793 -7.869 -8.964 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -10.891 -9.953 -10.109 1.00 0.00 H new ATOM 2027 N VAL A 128 -4.361 -8.358 -7.380 1.00 0.00 N ATOM 2028 CA VAL A 128 -3.070 -7.946 -6.860 1.00 0.00 C ATOM 2029 C VAL A 128 -1.955 -8.471 -7.757 1.00 0.00 C ATOM 2030 O VAL A 128 -1.001 -7.756 -8.057 1.00 0.00 O ATOM 2031 CB VAL A 128 -2.841 -8.437 -5.419 1.00 0.00 C ATOM 2032 CG1 VAL A 128 -1.503 -7.932 -4.886 1.00 0.00 C ATOM 2033 CG2 VAL A 128 -3.986 -7.991 -4.522 1.00 0.00 C ATOM 0 H VAL A 128 -4.931 -8.901 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.059 -6.856 -6.848 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.812 -9.527 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.359 -8.289 -3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.696 -8.303 -5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.497 -6.842 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.811 -8.345 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.045 -6.903 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.923 -8.405 -4.895 1.00 0.00 H new ATOM 2043 N GLY A 129 -2.087 -9.722 -8.199 1.00 0.00 N ATOM 2044 CA GLY A 129 -1.075 -10.293 -9.071 1.00 0.00 C ATOM 2045 C GLY A 129 -1.173 -9.757 -10.490 1.00 0.00 C ATOM 2046 O GLY A 129 -0.172 -9.333 -11.072 1.00 0.00 O ATOM 0 H GLY A 129 -2.865 -10.341 -7.972 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -0.086 -10.074 -8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.180 -11.378 -9.086 1.00 0.00 H new ATOM 2050 N GLN A 130 -2.383 -9.769 -11.042 1.00 0.00 N ATOM 2051 CA GLN A 130 -2.615 -9.275 -12.398 1.00 0.00 C ATOM 2052 C GLN A 130 -2.309 -7.782 -12.485 1.00 0.00 C ATOM 2053 O GLN A 130 -1.947 -7.272 -13.546 1.00 0.00 O ATOM 2054 CB GLN A 130 -4.062 -9.542 -12.821 1.00 0.00 C ATOM 2055 CG GLN A 130 -4.196 -10.641 -13.864 1.00 0.00 C ATOM 2056 CD GLN A 130 -4.065 -12.029 -13.268 1.00 0.00 C ATOM 2057 OE1 GLN A 130 -2.960 -12.553 -13.121 1.00 0.00 O ATOM 2058 NE2 GLN A 130 -5.195 -12.635 -12.920 1.00 0.00 N ATOM 0 H GLN A 130 -3.219 -10.115 -10.572 1.00 0.00 H new ATOM 0 HA GLN A 130 -1.947 -9.806 -13.076 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -4.645 -9.814 -11.941 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -4.492 -8.622 -13.217 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -5.163 -10.552 -14.358 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -3.433 -10.505 -14.630 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -6.090 -12.165 -13.059 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -5.168 -13.570 -12.514 1.00 0.00 H new ATOM 2067 N ILE A 131 -2.436 -7.095 -11.356 1.00 0.00 N ATOM 2068 CA ILE A 131 -2.150 -5.667 -11.286 1.00 0.00 C ATOM 2069 C ILE A 131 -0.659 -5.470 -11.042 1.00 0.00 C ATOM 2070 O ILE A 131 -0.072 -4.463 -11.435 1.00 0.00 O ATOM 2071 CB ILE A 131 -2.976 -4.996 -10.171 1.00 0.00 C ATOM 2072 CG1 ILE A 131 -4.458 -5.078 -10.511 1.00 0.00 C ATOM 2073 CG2 ILE A 131 -2.581 -3.541 -9.966 1.00 0.00 C ATOM 2074 CD1 ILE A 131 -5.347 -4.851 -9.319 1.00 0.00 C ATOM 0 H ILE A 131 -2.737 -7.506 -10.472 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.429 -5.198 -12.230 1.00 0.00 H new ATOM 0 HB ILE A 131 -2.773 -5.530 -9.243 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.691 -4.339 -11.277 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.674 -6.058 -10.937 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.188 -3.108 -9.171 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.528 -3.485 -9.690 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.743 -2.986 -10.890 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -6.391 -4.922 -9.625 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.139 -5.606 -8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -5.156 -3.860 -8.906 1.00 0.00 H new ATOM 2086 N LEU A 132 -0.057 -6.477 -10.412 1.00 0.00 N ATOM 2087 CA LEU A 132 1.371 -6.478 -10.124 1.00 0.00 C ATOM 2088 C LEU A 132 2.168 -6.411 -11.421 1.00 0.00 C ATOM 2089 O LEU A 132 3.116 -5.636 -11.545 1.00 0.00 O ATOM 2090 CB LEU A 132 1.742 -7.752 -9.360 1.00 0.00 C ATOM 2091 CG LEU A 132 2.388 -7.533 -7.995 1.00 0.00 C ATOM 2092 CD1 LEU A 132 1.386 -6.932 -7.023 1.00 0.00 C ATOM 2093 CD2 LEU A 132 2.939 -8.844 -7.456 1.00 0.00 C ATOM 0 H LEU A 132 -0.546 -7.312 -10.089 1.00 0.00 H new ATOM 0 HA LEU A 132 1.609 -5.606 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.840 -8.349 -9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.424 -8.339 -9.976 1.00 0.00 H new ATOM 0 HG LEU A 132 3.215 -6.832 -8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.863 -6.782 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.036 -5.974 -7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.539 -7.608 -6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.397 -8.673 -6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 132 2.128 -9.565 -7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 132 3.688 -9.235 -8.145 1.00 0.00 H new ATOM 2105 N ASP A 133 1.773 -7.241 -12.385 1.00 0.00 N ATOM 2106 CA ASP A 133 2.446 -7.290 -13.678 1.00 0.00 C ATOM 2107 C ASP A 133 2.197 -6.013 -14.474 1.00 0.00 C ATOM 2108 O ASP A 133 3.116 -5.455 -15.076 1.00 0.00 O ATOM 2109 CB ASP A 133 1.968 -8.505 -14.478 1.00 0.00 C ATOM 2110 CG ASP A 133 3.082 -9.140 -15.286 1.00 0.00 C ATOM 2111 OD1 ASP A 133 3.757 -10.046 -14.757 1.00 0.00 O ATOM 2112 OD2 ASP A 133 3.280 -8.727 -16.450 1.00 0.00 O ATOM 0 H ASP A 133 0.990 -7.888 -12.293 1.00 0.00 H new ATOM 0 HA ASP A 133 3.517 -7.378 -13.498 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.551 -9.245 -13.795 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.164 -8.202 -15.149 1.00 0.00 H new ATOM 2117 N SER A 134 0.951 -5.559 -14.473 1.00 0.00 N ATOM 2118 CA SER A 134 0.578 -4.348 -15.193 1.00 0.00 C ATOM 2119 C SER A 134 1.183 -3.111 -14.533 1.00 0.00 C ATOM 2120 O SER A 134 1.380 -2.083 -15.181 1.00 0.00 O ATOM 2121 CB SER A 134 -0.945 -4.214 -15.255 1.00 0.00 C ATOM 2122 OG SER A 134 -1.455 -4.725 -16.475 1.00 0.00 O ATOM 0 H SER A 134 0.180 -6.011 -13.981 1.00 0.00 H new ATOM 0 HA SER A 134 0.971 -4.424 -16.207 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.394 -4.748 -14.418 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.225 -3.166 -15.151 1.00 0.00 H new ATOM 0 HG SER A 134 -2.430 -4.629 -16.488 1.00 0.00 H new ATOM 2128 N PHE A 135 1.471 -3.217 -13.240 1.00 0.00 N ATOM 2129 CA PHE A 135 2.050 -2.111 -12.489 1.00 0.00 C ATOM 2130 C PHE A 135 3.353 -1.634 -13.134 1.00 0.00 C ATOM 2131 O PHE A 135 3.577 -0.433 -13.286 1.00 0.00 O ATOM 2132 CB PHE A 135 2.287 -2.539 -11.031 1.00 0.00 C ATOM 2133 CG PHE A 135 3.502 -1.924 -10.389 1.00 0.00 C ATOM 2134 CD1 PHE A 135 3.579 -0.556 -10.193 1.00 0.00 C ATOM 2135 CD2 PHE A 135 4.561 -2.718 -9.984 1.00 0.00 C ATOM 2136 CE1 PHE A 135 4.693 0.011 -9.604 1.00 0.00 C ATOM 2137 CE2 PHE A 135 5.678 -2.159 -9.393 1.00 0.00 C ATOM 2138 CZ PHE A 135 5.743 -0.792 -9.203 1.00 0.00 C ATOM 0 H PHE A 135 1.312 -4.061 -12.690 1.00 0.00 H new ATOM 0 HA PHE A 135 1.350 -1.276 -12.502 1.00 0.00 H new ATOM 0 HB2 PHE A 135 1.408 -2.277 -10.441 1.00 0.00 H new ATOM 0 HB3 PHE A 135 2.383 -3.624 -10.995 1.00 0.00 H new ATOM 0 HD1 PHE A 135 2.760 0.075 -10.504 1.00 0.00 H new ATOM 0 HD2 PHE A 135 4.514 -3.787 -10.132 1.00 0.00 H new ATOM 0 HE1 PHE A 135 4.743 1.080 -9.457 1.00 0.00 H new ATOM 0 HE2 PHE A 135 6.498 -2.789 -9.081 1.00 0.00 H new ATOM 0 HZ PHE A 135 6.614 -0.352 -8.741 1.00 0.00 H new