USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 515 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 52 SER OG : rot -99:sc= 1.28 USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.69 K(o=-0.41,f=-3.6) USER MOD Set 2.1: A 26 CYS SG : rot -169:sc= -0.285 USER MOD Set 2.2: A 28 CYS SG : rot 90:sc= 1.45 USER MOD Set 2.3: A 53 CYS SG : rot 180:sc= -2.16 USER MOD Set 2.4: A 58 CYS SG : rot 107:sc= -0.279 USER MOD Set 3.1: A 8 CYS SG : rot 178:sc= 0.0371 USER MOD Set 3.2: A 11 CYS SG : rot -58:sc= 0.991 USER MOD Set 3.3: A 15 TYR OH : rot 18:sc= 0.281 USER MOD Set 3.4: A 31 CYS SG : rot -38:sc= -0.653 USER MOD Set 3.5: A 34 CYS SG : rot 71:sc= 0.666 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -2.92! C(o=-6.2!,f=-2.9!) USER MOD Single : A 20 MET CE :methyl 139:sc= -0.438 (180deg=-3.12!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.24) USER MOD Single : A 27 GLN : amide:sc= -8.12! C(o=-8.1!,f=-11!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.37) USER MOD Single : A 38 TYR OH : rot -102:sc= -2.75! USER MOD Single : A 44 LYS NZ :NH3+ -137:sc= -0.636 (180deg=-4.63!) USER MOD Single : A 49 THR OG1 : rot -126:sc= -1.16 USER MOD Single : A 60 LYS NZ :NH3+ -154:sc= -0.0693 (180deg=-0.671) USER MOD Single : A 61 GLN : amide:sc= -0.0754 X(o=-0.075,f=0.065) USER MOD Single : A 65 GLN :FLIP amide:sc= -10! C(o=-16!,f=-10!) USER MOD Single : A 67 ASN : amide:sc= -0.927 X(o=-0.93,f=-0.91) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -165:sc= 0 (180deg=-0.445) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 -14.308 -5.842 1.013 1.00 0.00 N ATOM 92 CA SER A 7 -14.247 -4.401 1.233 1.00 0.00 C ATOM 93 C SER A 7 -13.029 -3.797 0.540 1.00 0.00 C ATOM 94 O SER A 7 -13.132 -3.256 -0.562 1.00 0.00 O ATOM 95 CB SER A 7 -14.200 -4.093 2.732 1.00 0.00 C ATOM 96 OG SER A 7 -15.445 -3.598 3.189 1.00 0.00 O ATOM 0 HA SER A 7 -15.145 -3.955 0.806 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.939 -4.996 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.418 -3.360 2.932 1.00 0.00 H new ATOM 0 HG SER A 7 -15.390 -3.410 4.149 1.00 0.00 H new ATOM 102 N CYS A 8 -11.877 -3.893 1.193 1.00 0.00 N ATOM 103 CA CYS A 8 -10.638 -3.357 0.642 1.00 0.00 C ATOM 104 C CYS A 8 -10.523 -3.674 -0.846 1.00 0.00 C ATOM 105 O CYS A 8 -11.161 -4.600 -1.346 1.00 0.00 O ATOM 106 CB CYS A 8 -9.432 -3.928 1.392 1.00 0.00 C ATOM 107 SG CYS A 8 -7.870 -3.050 1.066 1.00 0.00 S ATOM 0 H CYS A 8 -11.775 -4.337 2.105 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.653 -2.274 0.765 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.636 -3.899 2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.311 -4.976 1.119 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.919 -3.578 1.778 1.00 0.00 H new ATOM 112 N LYS A 9 -9.702 -2.899 -1.548 1.00 0.00 N ATOM 113 CA LYS A 9 -9.500 -3.097 -2.978 1.00 0.00 C ATOM 114 C LYS A 9 -8.040 -3.415 -3.283 1.00 0.00 C ATOM 115 O LYS A 9 -7.737 -4.146 -4.227 1.00 0.00 O ATOM 116 CB LYS A 9 -9.934 -1.850 -3.752 1.00 0.00 C ATOM 117 CG LYS A 9 -11.223 -1.233 -3.238 1.00 0.00 C ATOM 118 CD LYS A 9 -12.334 -1.321 -4.271 1.00 0.00 C ATOM 119 CE LYS A 9 -12.001 -0.516 -5.519 1.00 0.00 C ATOM 120 NZ LYS A 9 -12.549 -1.149 -6.750 1.00 0.00 N ATOM 0 H LYS A 9 -9.166 -2.128 -1.149 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.111 -3.944 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.139 -1.106 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.060 -2.110 -4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.532 -1.742 -2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.049 -0.189 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.498 -2.364 -4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.265 -0.954 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.404 0.492 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.919 -0.420 -5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.301 -0.570 -7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.146 -2.101 -6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.584 -1.218 -6.674 1.00 0.00 H new ATOM 134 N LEU A 10 -7.139 -2.864 -2.478 1.00 0.00 N ATOM 135 CA LEU A 10 -5.709 -3.090 -2.660 1.00 0.00 C ATOM 136 C LEU A 10 -5.366 -4.567 -2.495 1.00 0.00 C ATOM 137 O LEU A 10 -4.373 -5.049 -3.040 1.00 0.00 O ATOM 138 CB LEU A 10 -4.910 -2.254 -1.659 1.00 0.00 C ATOM 139 CG LEU A 10 -4.659 -0.797 -2.050 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.585 -0.184 -1.164 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.264 -0.698 -3.516 1.00 0.00 C ATOM 0 H LEU A 10 -7.373 -2.257 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.443 -2.786 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.435 -2.268 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.946 -2.738 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.583 -0.238 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.420 0.853 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.907 -0.220 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.657 -0.745 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.089 0.346 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.353 -1.272 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.066 -1.097 -4.137 1.00 0.00 H new ATOM 153 N CYS A 11 -6.196 -5.281 -1.741 1.00 0.00 N ATOM 154 CA CYS A 11 -5.982 -6.704 -1.506 1.00 0.00 C ATOM 155 C CYS A 11 -7.280 -7.486 -1.689 1.00 0.00 C ATOM 156 O CYS A 11 -7.313 -8.705 -1.514 1.00 0.00 O ATOM 157 CB CYS A 11 -5.431 -6.932 -0.096 1.00 0.00 C ATOM 158 SG CYS A 11 -6.651 -6.666 1.230 1.00 0.00 S ATOM 0 H CYS A 11 -7.023 -4.897 -1.283 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.256 -7.063 -2.235 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.051 -7.951 -0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.584 -6.264 0.064 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.107 -5.450 1.163 1.00 0.00 H new ATOM 163 N LEU A 12 -8.346 -6.777 -2.043 1.00 0.00 N ATOM 164 CA LEU A 12 -9.647 -7.405 -2.251 1.00 0.00 C ATOM 165 C LEU A 12 -9.900 -8.491 -1.211 1.00 0.00 C ATOM 166 O LEU A 12 -10.639 -9.443 -1.459 1.00 0.00 O ATOM 167 CB LEU A 12 -9.728 -8.000 -3.657 1.00 0.00 C ATOM 168 CG LEU A 12 -9.424 -7.043 -4.810 1.00 0.00 C ATOM 169 CD1 LEU A 12 -8.380 -7.642 -5.739 1.00 0.00 C ATOM 170 CD2 LEU A 12 -10.695 -6.710 -5.577 1.00 0.00 C ATOM 0 H LEU A 12 -8.336 -5.768 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.415 -6.639 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.034 -8.839 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.730 -8.404 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.023 -6.119 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.176 -6.947 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.461 -7.828 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.753 -8.581 -6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.459 -6.028 -6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.126 -7.626 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.412 -6.238 -4.906 1.00 0.00 H new ATOM 182 N GLY A 13 -9.283 -8.340 -0.042 1.00 0.00 N ATOM 183 CA GLY A 13 -9.456 -9.314 1.019 1.00 0.00 C ATOM 184 C GLY A 13 -10.837 -9.256 1.640 1.00 0.00 C ATOM 185 O GLY A 13 -11.777 -8.745 1.033 1.00 0.00 O ATOM 0 H GLY A 13 -8.667 -7.560 0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.281 -10.314 0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.706 -9.142 1.791 1.00 0.00 H new ATOM 189 N GLU A 14 -10.961 -9.783 2.855 1.00 0.00 N ATOM 190 CA GLU A 14 -12.238 -9.789 3.557 1.00 0.00 C ATOM 191 C GLU A 14 -12.073 -9.300 4.993 1.00 0.00 C ATOM 192 O GLU A 14 -11.367 -9.915 5.792 1.00 0.00 O ATOM 193 CB GLU A 14 -12.841 -11.195 3.553 1.00 0.00 C ATOM 194 CG GLU A 14 -14.102 -11.315 2.711 1.00 0.00 C ATOM 195 CD GLU A 14 -14.015 -12.429 1.686 1.00 0.00 C ATOM 196 OE1 GLU A 14 -13.045 -12.436 0.899 1.00 0.00 O ATOM 197 OE2 GLU A 14 -14.917 -13.293 1.670 1.00 0.00 O ATOM 0 H GLU A 14 -10.193 -10.211 3.372 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.912 -9.110 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.097 -11.899 3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.070 -11.486 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.955 -11.494 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.285 -10.370 2.200 1.00 0.00 H new ATOM 204 N TYR A 15 -12.729 -8.191 5.313 1.00 0.00 N ATOM 205 CA TYR A 15 -12.654 -7.616 6.651 1.00 0.00 C ATOM 206 C TYR A 15 -13.822 -6.669 6.905 1.00 0.00 C ATOM 207 O TYR A 15 -14.392 -6.084 5.984 1.00 0.00 O ATOM 208 CB TYR A 15 -11.330 -6.871 6.835 1.00 0.00 C ATOM 209 CG TYR A 15 -10.194 -7.446 6.019 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.963 -7.020 4.717 1.00 0.00 C ATOM 211 CD2 TYR A 15 -9.352 -8.415 6.551 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.926 -7.542 3.968 1.00 0.00 C ATOM 213 CE2 TYR A 15 -8.312 -8.941 5.809 1.00 0.00 C ATOM 214 CZ TYR A 15 -8.103 -8.503 4.518 1.00 0.00 C ATOM 215 OH TYR A 15 -7.069 -9.026 3.776 1.00 0.00 O ATOM 0 H TYR A 15 -13.319 -7.671 4.664 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.709 -8.432 7.372 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.470 -5.825 6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.055 -6.890 7.890 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.605 -6.268 4.283 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.513 -8.763 7.561 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.761 -7.200 2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.665 -9.692 6.238 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.872 -8.429 3.024 1.00 0.00 H new ATOM 225 N PRO A 16 -14.190 -6.515 8.186 1.00 0.00 N ATOM 226 CA PRO A 16 -15.292 -5.639 8.593 1.00 0.00 C ATOM 227 C PRO A 16 -14.960 -4.163 8.407 1.00 0.00 C ATOM 228 O PRO A 16 -14.007 -3.814 7.711 1.00 0.00 O ATOM 229 CB PRO A 16 -15.473 -5.965 10.078 1.00 0.00 C ATOM 230 CG PRO A 16 -14.143 -6.467 10.521 1.00 0.00 C ATOM 231 CD PRO A 16 -13.555 -7.181 9.336 1.00 0.00 C ATOM 0 HA PRO A 16 -16.187 -5.805 7.994 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -15.771 -5.082 10.643 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -16.249 -6.716 10.227 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.502 -5.645 10.839 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.244 -7.141 11.372 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.470 -7.085 9.307 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.780 -8.247 9.357 1.00 0.00 H new ATOM 239 N VAL A 17 -15.751 -3.299 9.036 1.00 0.00 N ATOM 240 CA VAL A 17 -15.540 -1.860 8.942 1.00 0.00 C ATOM 241 C VAL A 17 -14.618 -1.365 10.051 1.00 0.00 C ATOM 242 O VAL A 17 -14.017 -0.298 9.941 1.00 0.00 O ATOM 243 CB VAL A 17 -16.872 -1.090 9.015 1.00 0.00 C ATOM 244 CG1 VAL A 17 -16.875 -0.139 10.201 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.124 -0.338 7.716 1.00 0.00 C ATOM 0 H VAL A 17 -16.544 -3.572 9.616 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.073 -1.672 7.975 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.680 -1.808 9.155 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.824 0.396 10.236 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.744 -0.706 11.123 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.059 0.576 10.096 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.069 0.201 7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.314 0.371 7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.169 -1.046 6.889 1.00 0.00 H new ATOM 255 N GLU A 18 -14.513 -2.150 11.119 1.00 0.00 N ATOM 256 CA GLU A 18 -13.665 -1.791 12.249 1.00 0.00 C ATOM 257 C GLU A 18 -12.213 -2.182 11.986 1.00 0.00 C ATOM 258 O GLU A 18 -11.304 -1.737 12.685 1.00 0.00 O ATOM 259 CB GLU A 18 -14.165 -2.470 13.526 1.00 0.00 C ATOM 260 CG GLU A 18 -15.368 -1.784 14.149 1.00 0.00 C ATOM 261 CD GLU A 18 -15.103 -1.312 15.566 1.00 0.00 C ATOM 262 OE1 GLU A 18 -15.557 -0.203 15.917 1.00 0.00 O ATOM 263 OE2 GLU A 18 -14.441 -2.052 16.324 1.00 0.00 O ATOM 0 H GLU A 18 -15.004 -3.038 11.225 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.714 -0.710 12.378 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.424 -3.504 13.300 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.355 -2.496 14.255 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.654 -0.931 13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.213 -2.473 14.152 1.00 0.00 H new ATOM 270 N GLN A 19 -12.006 -3.020 10.975 1.00 0.00 N ATOM 271 CA GLN A 19 -10.667 -3.473 10.621 1.00 0.00 C ATOM 272 C GLN A 19 -10.119 -2.680 9.438 1.00 0.00 C ATOM 273 O GLN A 19 -9.138 -3.080 8.812 1.00 0.00 O ATOM 274 CB GLN A 19 -10.681 -4.965 10.286 1.00 0.00 C ATOM 275 CG GLN A 19 -10.759 -5.862 11.512 1.00 0.00 C ATOM 276 CD GLN A 19 -10.844 -5.076 12.805 1.00 0.00 C ATOM 277 OE1 GLN A 19 -12.037 -4.590 13.125 1.00 0.00 O flip ATOM 278 NE2 GLN A 19 -9.848 -4.909 13.510 1.00 0.00 N flip ATOM 0 H GLN A 19 -12.749 -3.399 10.387 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.017 -3.307 11.480 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.531 -5.175 9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.781 -5.211 9.722 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.631 -6.511 11.428 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.882 -6.508 11.541 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.950 -5.301 13.225 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.921 -4.379 14.379 1.00 0.00 H new ATOM 287 N MET A 20 -10.760 -1.555 9.138 1.00 0.00 N ATOM 288 CA MET A 20 -10.336 -0.706 8.031 1.00 0.00 C ATOM 289 C MET A 20 -10.286 0.758 8.456 1.00 0.00 C ATOM 290 O MET A 20 -10.666 1.104 9.575 1.00 0.00 O ATOM 291 CB MET A 20 -11.284 -0.872 6.841 1.00 0.00 C ATOM 292 CG MET A 20 -12.215 -2.066 6.967 1.00 0.00 C ATOM 293 SD MET A 20 -12.714 -2.730 5.367 1.00 0.00 S ATOM 294 CE MET A 20 -11.127 -3.208 4.689 1.00 0.00 C ATOM 0 H MET A 20 -11.575 -1.210 9.646 1.00 0.00 H new ATOM 0 HA MET A 20 -9.333 -1.013 7.734 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.881 0.034 6.734 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.695 -0.976 5.930 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.720 -2.848 7.542 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.103 -1.772 7.527 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.222 -4.168 4.182 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.793 -2.453 3.977 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.398 -3.294 5.495 1.00 0.00 H new ATOM 304 N THR A 21 -9.813 1.615 7.557 1.00 0.00 N ATOM 305 CA THR A 21 -9.712 3.041 7.840 1.00 0.00 C ATOM 306 C THR A 21 -10.102 3.872 6.622 1.00 0.00 C ATOM 307 O THR A 21 -9.766 3.530 5.489 1.00 0.00 O ATOM 308 CB THR A 21 -8.286 3.428 8.274 1.00 0.00 C ATOM 309 OG1 THR A 21 -8.016 2.912 9.583 1.00 0.00 O ATOM 310 CG2 THR A 21 -8.110 4.938 8.273 1.00 0.00 C ATOM 0 H THR A 21 -9.494 1.346 6.626 1.00 0.00 H new ATOM 0 HA THR A 21 -10.403 3.251 8.657 1.00 0.00 H new ATOM 0 HB THR A 21 -7.584 2.997 7.561 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.107 3.161 9.852 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.095 5.186 8.583 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.288 5.324 7.269 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.821 5.388 8.966 1.00 0.00 H new ATOM 318 N THR A 22 -10.816 4.968 6.864 1.00 0.00 N ATOM 319 CA THR A 22 -11.253 5.848 5.789 1.00 0.00 C ATOM 320 C THR A 22 -10.102 6.706 5.277 1.00 0.00 C ATOM 321 O THR A 22 -9.127 6.942 5.992 1.00 0.00 O ATOM 322 CB THR A 22 -12.399 6.769 6.246 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.658 6.106 6.078 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.398 8.069 5.457 1.00 0.00 C ATOM 0 H THR A 22 -11.103 5.266 7.796 1.00 0.00 H new ATOM 0 HA THR A 22 -11.611 5.207 4.984 1.00 0.00 H new ATOM 0 HB THR A 22 -12.248 7.002 7.300 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.381 6.698 6.373 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.217 8.702 5.798 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.451 8.587 5.610 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.526 7.851 4.397 1.00 0.00 H new ATOM 332 N ILE A 23 -10.220 7.169 4.037 1.00 0.00 N ATOM 333 CA ILE A 23 -9.188 8.003 3.432 1.00 0.00 C ATOM 334 C ILE A 23 -9.139 9.378 4.088 1.00 0.00 C ATOM 335 O ILE A 23 -8.466 9.571 5.100 1.00 0.00 O ATOM 336 CB ILE A 23 -9.420 8.175 1.920 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.116 6.869 1.182 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.559 9.308 1.378 1.00 0.00 C ATOM 339 CD1 ILE A 23 -7.683 6.409 1.335 1.00 0.00 C ATOM 0 H ILE A 23 -11.019 6.981 3.432 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.237 7.494 3.590 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.467 8.428 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.781 6.089 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.336 7.000 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.734 9.418 0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.819 10.237 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.507 9.081 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.539 5.478 0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.012 7.171 0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.464 6.246 2.390 1.00 0.00 H new ATOM 351 N ALA A 24 -9.856 10.333 3.504 1.00 0.00 N ATOM 352 CA ALA A 24 -9.897 11.689 4.034 1.00 0.00 C ATOM 353 C ALA A 24 -10.404 12.673 2.985 1.00 0.00 C ATOM 354 O ALA A 24 -9.955 13.817 2.926 1.00 0.00 O ATOM 355 CB ALA A 24 -8.519 12.106 4.527 1.00 0.00 C ATOM 0 H ALA A 24 -10.416 10.192 2.663 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.591 11.703 4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.565 13.122 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.193 11.426 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.810 12.069 3.700 1.00 0.00 H new ATOM 361 N GLN A 25 -11.343 12.219 2.159 1.00 0.00 N ATOM 362 CA GLN A 25 -11.909 13.060 1.112 1.00 0.00 C ATOM 363 C GLN A 25 -12.924 12.283 0.279 1.00 0.00 C ATOM 364 O GLN A 25 -14.003 12.787 -0.033 1.00 0.00 O ATOM 365 CB GLN A 25 -10.800 13.603 0.209 1.00 0.00 C ATOM 366 CG GLN A 25 -10.589 15.103 0.339 1.00 0.00 C ATOM 367 CD GLN A 25 -11.861 15.894 0.105 1.00 0.00 C ATOM 368 OE1 GLN A 25 -12.286 16.084 -1.035 1.00 0.00 O ATOM 369 NE2 GLN A 25 -12.476 16.361 1.185 1.00 0.00 N ATOM 0 H GLN A 25 -11.727 11.275 2.195 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.421 13.896 1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.867 13.091 0.446 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.039 13.367 -0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.204 15.327 1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.830 15.423 -0.375 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.089 16.180 2.111 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.336 16.901 1.089 1.00 0.00 H new ATOM 378 N CYS A 26 -12.571 11.053 -0.076 1.00 0.00 N ATOM 379 CA CYS A 26 -13.449 10.205 -0.873 1.00 0.00 C ATOM 380 C CYS A 26 -14.262 9.272 0.019 1.00 0.00 C ATOM 381 O CYS A 26 -15.288 8.736 -0.398 1.00 0.00 O ATOM 382 CB CYS A 26 -12.633 9.387 -1.876 1.00 0.00 C ATOM 383 SG CYS A 26 -11.408 8.278 -1.107 1.00 0.00 S ATOM 0 H CYS A 26 -11.682 10.621 0.176 1.00 0.00 H new ATOM 0 HA CYS A 26 -14.138 10.851 -1.417 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.315 8.792 -2.484 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.117 10.070 -2.551 1.00 0.00 H new ATOM 0 HG CYS A 26 -10.616 7.805 -2.023 1.00 0.00 H new ATOM 388 N GLN A 27 -13.795 9.084 1.249 1.00 0.00 N ATOM 389 CA GLN A 27 -14.478 8.215 2.201 1.00 0.00 C ATOM 390 C GLN A 27 -14.507 6.775 1.700 1.00 0.00 C ATOM 391 O GLN A 27 -15.575 6.194 1.510 1.00 0.00 O ATOM 392 CB GLN A 27 -15.904 8.712 2.444 1.00 0.00 C ATOM 393 CG GLN A 27 -15.968 10.060 3.143 1.00 0.00 C ATOM 394 CD GLN A 27 -14.715 10.888 2.930 1.00 0.00 C ATOM 395 OE1 GLN A 27 -14.673 11.760 2.061 1.00 0.00 O ATOM 396 NE2 GLN A 27 -13.686 10.618 3.724 1.00 0.00 N ATOM 0 H GLN A 27 -12.947 9.521 1.610 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.926 8.242 3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.423 8.783 1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.439 7.976 3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -16.832 10.614 2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.119 9.904 4.211 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.765 9.887 4.431 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.816 11.142 3.627 1.00 0.00 H new ATOM 405 N CYS A 28 -13.325 6.204 1.487 1.00 0.00 N ATOM 406 CA CYS A 28 -13.215 4.832 1.006 1.00 0.00 C ATOM 407 C CYS A 28 -12.858 3.884 2.148 1.00 0.00 C ATOM 408 O CYS A 28 -12.717 4.304 3.297 1.00 0.00 O ATOM 409 CB CYS A 28 -12.160 4.740 -0.096 1.00 0.00 C ATOM 410 SG CYS A 28 -12.701 5.411 -1.702 1.00 0.00 S ATOM 0 H CYS A 28 -12.431 6.670 1.640 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.182 4.536 0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.266 5.274 0.226 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.877 3.695 -0.227 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.413 6.677 -1.762 1.00 0.00 H new ATOM 415 N ILE A 29 -12.712 2.604 1.823 1.00 0.00 N ATOM 416 CA ILE A 29 -12.371 1.597 2.820 1.00 0.00 C ATOM 417 C ILE A 29 -11.139 0.803 2.398 1.00 0.00 C ATOM 418 O ILE A 29 -11.092 0.245 1.302 1.00 0.00 O ATOM 419 CB ILE A 29 -13.539 0.623 3.059 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.529 0.126 4.507 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.459 -0.548 2.091 1.00 0.00 C ATOM 422 CD1 ILE A 29 -13.931 1.183 5.511 1.00 0.00 C ATOM 0 H ILE A 29 -12.825 2.240 0.877 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.158 2.129 3.747 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.476 1.152 2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.206 -0.724 4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.530 -0.235 4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.292 -1.228 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.510 -0.178 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.518 -1.079 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -13.901 0.761 6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.240 2.024 5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.942 1.527 5.292 1.00 0.00 H new ATOM 434 N PHE A 30 -10.145 0.754 3.278 1.00 0.00 N ATOM 435 CA PHE A 30 -8.911 0.026 2.998 1.00 0.00 C ATOM 436 C PHE A 30 -8.253 -0.445 4.292 1.00 0.00 C ATOM 437 O PHE A 30 -8.009 0.346 5.202 1.00 0.00 O ATOM 438 CB PHE A 30 -7.941 0.909 2.211 1.00 0.00 C ATOM 439 CG PHE A 30 -8.491 1.381 0.896 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.636 0.502 -0.165 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.865 2.704 0.720 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.143 0.932 -1.377 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.372 3.140 -0.489 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.510 2.254 -1.539 1.00 0.00 C ATOM 0 H PHE A 30 -10.169 1.209 4.191 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.162 -0.849 2.399 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.678 1.776 2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.020 0.354 2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.349 -0.532 -0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.759 3.402 1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.252 0.236 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.660 4.173 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.904 2.594 -2.485 1.00 0.00 H new ATOM 454 N CYS A 31 -7.969 -1.742 4.364 1.00 0.00 N ATOM 455 CA CYS A 31 -7.340 -2.322 5.545 1.00 0.00 C ATOM 456 C CYS A 31 -6.019 -1.624 5.856 1.00 0.00 C ATOM 457 O CYS A 31 -5.167 -1.462 4.981 1.00 0.00 O ATOM 458 CB CYS A 31 -7.102 -3.819 5.338 1.00 0.00 C ATOM 459 SG CYS A 31 -5.710 -4.205 4.229 1.00 0.00 S ATOM 0 H CYS A 31 -8.164 -2.411 3.619 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.013 -2.181 6.391 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.920 -4.284 6.307 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.010 -4.268 4.934 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.677 -3.342 3.258 1.00 0.00 H new ATOM 464 N THR A 32 -5.854 -1.212 7.109 1.00 0.00 N ATOM 465 CA THR A 32 -4.639 -0.530 7.536 1.00 0.00 C ATOM 466 C THR A 32 -3.419 -1.066 6.794 1.00 0.00 C ATOM 467 O THR A 32 -2.630 -0.298 6.241 1.00 0.00 O ATOM 468 CB THR A 32 -4.412 -0.684 9.052 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.644 -0.487 9.754 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.375 0.313 9.547 1.00 0.00 C ATOM 0 H THR A 32 -6.547 -1.339 7.846 1.00 0.00 H new ATOM 0 HA THR A 32 -4.769 0.526 7.301 1.00 0.00 H new ATOM 0 HB THR A 32 -4.044 -1.692 9.242 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.492 -0.588 10.717 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.231 0.186 10.620 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.430 0.141 9.031 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.720 1.327 9.345 1.00 0.00 H new ATOM 478 N LEU A 33 -3.271 -2.385 6.784 1.00 0.00 N ATOM 479 CA LEU A 33 -2.147 -3.024 6.109 1.00 0.00 C ATOM 480 C LEU A 33 -1.831 -2.321 4.792 1.00 0.00 C ATOM 481 O LEU A 33 -0.789 -1.679 4.653 1.00 0.00 O ATOM 482 CB LEU A 33 -2.453 -4.501 5.851 1.00 0.00 C ATOM 483 CG LEU A 33 -2.700 -5.361 7.089 1.00 0.00 C ATOM 484 CD1 LEU A 33 -4.184 -5.653 7.250 1.00 0.00 C ATOM 485 CD2 LEU A 33 -1.907 -6.657 7.006 1.00 0.00 C ATOM 0 H LEU A 33 -3.915 -3.034 7.236 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.275 -2.948 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.332 -4.563 5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.621 -4.932 5.294 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.362 -4.807 7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.340 -6.267 8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.730 -4.716 7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.547 -6.186 6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.096 -7.257 7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.213 -7.215 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.843 -6.429 6.941 1.00 0.00 H new ATOM 497 N CYS A 34 -2.739 -2.442 3.830 1.00 0.00 N ATOM 498 CA CYS A 34 -2.560 -1.818 2.525 1.00 0.00 C ATOM 499 C CYS A 34 -2.503 -0.298 2.653 1.00 0.00 C ATOM 500 O CYS A 34 -1.489 0.325 2.337 1.00 0.00 O ATOM 501 CB CYS A 34 -3.697 -2.219 1.583 1.00 0.00 C ATOM 502 SG CYS A 34 -4.015 -4.012 1.522 1.00 0.00 S ATOM 0 H CYS A 34 -3.608 -2.967 3.930 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.614 -2.167 2.110 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.609 -1.709 1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.463 -1.868 0.578 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.547 -4.397 2.644 1.00 0.00 H new ATOM 507 N LEU A 35 -3.598 0.292 3.119 1.00 0.00 N ATOM 508 CA LEU A 35 -3.675 1.739 3.289 1.00 0.00 C ATOM 509 C LEU A 35 -2.428 2.271 3.990 1.00 0.00 C ATOM 510 O LEU A 35 -2.110 3.457 3.900 1.00 0.00 O ATOM 511 CB LEU A 35 -4.922 2.113 4.091 1.00 0.00 C ATOM 512 CG LEU A 35 -5.238 3.607 4.184 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.213 4.244 2.803 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.588 3.825 4.850 1.00 0.00 C ATOM 0 H LEU A 35 -4.445 -0.209 3.386 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.737 2.193 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.780 1.608 3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.810 1.722 5.102 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.472 4.084 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.440 5.307 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.224 4.118 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.957 3.764 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.797 4.893 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.366 3.334 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.570 3.404 5.855 1.00 0.00 H new ATOM 526 N LYS A 36 -1.724 1.385 4.686 1.00 0.00 N ATOM 527 CA LYS A 36 -0.510 1.763 5.400 1.00 0.00 C ATOM 528 C LYS A 36 0.722 1.559 4.523 1.00 0.00 C ATOM 529 O LYS A 36 1.340 2.525 4.073 1.00 0.00 O ATOM 530 CB LYS A 36 -0.373 0.945 6.686 1.00 0.00 C ATOM 531 CG LYS A 36 0.939 1.172 7.415 1.00 0.00 C ATOM 532 CD LYS A 36 1.905 0.019 7.199 1.00 0.00 C ATOM 533 CE LYS A 36 2.154 -0.750 8.488 1.00 0.00 C ATOM 534 NZ LYS A 36 2.967 -1.976 8.255 1.00 0.00 N ATOM 0 H LYS A 36 -1.973 0.400 4.771 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.583 2.820 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.198 1.193 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.466 -0.114 6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.394 2.099 7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.748 1.292 8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.504 -0.656 6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.850 0.402 6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.666 -0.105 9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.200 -1.027 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.114 -2.472 9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.467 -2.603 7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.888 -1.710 7.852 1.00 0.00 H new ATOM 548 N GLN A 37 1.072 0.300 4.284 1.00 0.00 N ATOM 549 CA GLN A 37 2.229 -0.027 3.460 1.00 0.00 C ATOM 550 C GLN A 37 2.296 0.873 2.232 1.00 0.00 C ATOM 551 O GLN A 37 3.364 1.074 1.653 1.00 0.00 O ATOM 552 CB GLN A 37 2.176 -1.494 3.029 1.00 0.00 C ATOM 553 CG GLN A 37 3.275 -2.349 3.642 1.00 0.00 C ATOM 554 CD GLN A 37 2.763 -3.684 4.144 1.00 0.00 C ATOM 555 OE1 GLN A 37 1.843 -4.266 3.569 1.00 0.00 O ATOM 556 NE2 GLN A 37 3.359 -4.178 5.223 1.00 0.00 N ATOM 0 H GLN A 37 0.571 -0.510 4.649 1.00 0.00 H new ATOM 0 HA GLN A 37 3.126 0.138 4.057 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.207 -1.910 3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.249 -1.548 1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.055 -2.519 2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.734 -1.806 4.468 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.118 -3.662 5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.058 -5.074 5.607 1.00 0.00 H new ATOM 565 N TYR A 38 1.148 1.415 1.838 1.00 0.00 N ATOM 566 CA TYR A 38 1.075 2.293 0.676 1.00 0.00 C ATOM 567 C TYR A 38 1.545 3.701 1.027 1.00 0.00 C ATOM 568 O TYR A 38 2.471 4.230 0.413 1.00 0.00 O ATOM 569 CB TYR A 38 -0.355 2.340 0.135 1.00 0.00 C ATOM 570 CG TYR A 38 -0.808 3.728 -0.258 1.00 0.00 C ATOM 571 CD1 TYR A 38 -2.024 4.233 0.185 1.00 0.00 C ATOM 572 CD2 TYR A 38 -0.021 4.533 -1.072 1.00 0.00 C ATOM 573 CE1 TYR A 38 -2.442 5.500 -0.171 1.00 0.00 C ATOM 574 CE2 TYR A 38 -0.431 5.801 -1.433 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.643 6.281 -0.980 1.00 0.00 C ATOM 576 OH TYR A 38 -2.056 7.543 -1.338 1.00 0.00 O ATOM 0 H TYR A 38 0.255 1.261 2.307 1.00 0.00 H new ATOM 0 HA TYR A 38 1.734 1.891 -0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.428 1.684 -0.732 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.034 1.946 0.891 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.653 3.625 0.818 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.928 4.161 -1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.390 5.878 0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.193 6.414 -2.066 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.393 7.528 -2.258 1.00 0.00 H new ATOM 586 N VAL A 39 0.899 4.302 2.022 1.00 0.00 N ATOM 587 CA VAL A 39 1.250 5.649 2.457 1.00 0.00 C ATOM 588 C VAL A 39 2.520 5.640 3.300 1.00 0.00 C ATOM 589 O VAL A 39 3.460 6.387 3.032 1.00 0.00 O ATOM 590 CB VAL A 39 0.110 6.290 3.271 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.156 6.385 2.434 1.00 0.00 C ATOM 592 CG2 VAL A 39 -0.142 5.500 4.547 1.00 0.00 C ATOM 0 H VAL A 39 0.131 3.878 2.541 1.00 0.00 H new ATOM 0 HA VAL A 39 1.420 6.239 1.557 1.00 0.00 H new ATOM 0 HB VAL A 39 0.409 7.301 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.950 6.840 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.964 6.997 1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.462 5.386 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.950 5.967 5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.420 4.477 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.764 5.490 5.153 1.00 0.00 H new ATOM 602 N GLU A 40 2.540 4.788 4.321 1.00 0.00 N ATOM 603 CA GLU A 40 3.695 4.682 5.205 1.00 0.00 C ATOM 604 C GLU A 40 4.992 4.911 4.434 1.00 0.00 C ATOM 605 O GLU A 40 5.944 5.493 4.957 1.00 0.00 O ATOM 606 CB GLU A 40 3.725 3.309 5.879 1.00 0.00 C ATOM 607 CG GLU A 40 4.107 3.361 7.349 1.00 0.00 C ATOM 608 CD GLU A 40 5.396 2.619 7.643 1.00 0.00 C ATOM 609 OE1 GLU A 40 5.322 1.454 8.088 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.479 3.202 7.429 1.00 0.00 O ATOM 0 H GLU A 40 1.770 4.162 4.556 1.00 0.00 H new ATOM 0 HA GLU A 40 3.607 5.452 5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.743 2.845 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.432 2.670 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.213 4.401 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.301 2.933 7.945 1.00 0.00 H new ATOM 617 N LEU A 41 5.022 4.450 3.188 1.00 0.00 N ATOM 618 CA LEU A 41 6.202 4.603 2.344 1.00 0.00 C ATOM 619 C LEU A 41 6.329 6.038 1.842 1.00 0.00 C ATOM 620 O LEU A 41 7.404 6.635 1.902 1.00 0.00 O ATOM 621 CB LEU A 41 6.134 3.639 1.159 1.00 0.00 C ATOM 622 CG LEU A 41 7.231 2.576 1.095 1.00 0.00 C ATOM 623 CD1 LEU A 41 7.456 1.957 2.465 1.00 0.00 C ATOM 624 CD2 LEU A 41 6.875 1.503 0.076 1.00 0.00 C ATOM 0 H LEU A 41 4.243 3.967 2.740 1.00 0.00 H new ATOM 0 HA LEU A 41 7.081 4.369 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.168 3.135 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.167 4.223 0.239 1.00 0.00 H new ATOM 0 HG LEU A 41 8.157 3.057 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.240 1.203 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.756 2.732 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.533 1.491 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.667 0.755 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.937 1.027 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.766 1.958 -0.908 1.00 0.00 H new ATOM 636 N LEU A 42 5.225 6.585 1.346 1.00 0.00 N ATOM 637 CA LEU A 42 5.211 7.951 0.834 1.00 0.00 C ATOM 638 C LEU A 42 5.245 8.961 1.977 1.00 0.00 C ATOM 639 O LEU A 42 6.154 9.787 2.062 1.00 0.00 O ATOM 640 CB LEU A 42 3.969 8.180 -0.029 1.00 0.00 C ATOM 641 CG LEU A 42 3.896 7.377 -1.327 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.451 7.212 -1.773 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.719 8.048 -2.417 1.00 0.00 C ATOM 0 H LEU A 42 4.328 6.104 1.287 1.00 0.00 H new ATOM 0 HA LEU A 42 6.102 8.093 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.088 7.947 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.914 9.240 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 42 4.313 6.387 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.419 6.638 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.890 6.686 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.007 8.194 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.655 7.462 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.333 9.051 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.760 8.113 -2.099 1.00 0.00 H new ATOM 655 N ILE A 43 4.248 8.888 2.854 1.00 0.00 N ATOM 656 CA ILE A 43 4.166 9.793 3.993 1.00 0.00 C ATOM 657 C ILE A 43 5.547 10.067 4.579 1.00 0.00 C ATOM 658 O ILE A 43 5.876 11.204 4.919 1.00 0.00 O ATOM 659 CB ILE A 43 3.255 9.227 5.098 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.996 10.085 5.241 1.00 0.00 C ATOM 661 CG2 ILE A 43 4.007 9.155 6.419 1.00 0.00 C ATOM 662 CD1 ILE A 43 1.037 9.948 4.080 1.00 0.00 C ATOM 0 H ILE A 43 3.487 8.212 2.797 1.00 0.00 H new ATOM 0 HA ILE A 43 3.739 10.726 3.624 1.00 0.00 H new ATOM 0 HB ILE A 43 2.954 8.217 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.481 9.810 6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.288 11.131 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.350 8.753 7.190 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.876 8.506 6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.335 10.154 6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.168 10.584 4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.535 10.251 3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.716 8.910 3.994 1.00 0.00 H new ATOM 674 N LYS A 44 6.354 9.017 4.693 1.00 0.00 N ATOM 675 CA LYS A 44 7.702 9.143 5.235 1.00 0.00 C ATOM 676 C LYS A 44 8.549 10.075 4.374 1.00 0.00 C ATOM 677 O LYS A 44 9.323 10.879 4.892 1.00 0.00 O ATOM 678 CB LYS A 44 8.368 7.768 5.324 1.00 0.00 C ATOM 679 CG LYS A 44 8.579 7.286 6.748 1.00 0.00 C ATOM 680 CD LYS A 44 7.282 7.303 7.541 1.00 0.00 C ATOM 681 CE LYS A 44 6.617 5.935 7.551 1.00 0.00 C ATOM 682 NZ LYS A 44 6.581 5.346 8.918 1.00 0.00 N ATOM 0 H LYS A 44 6.098 8.069 4.417 1.00 0.00 H new ATOM 0 HA LYS A 44 7.627 9.569 6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.755 7.041 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.332 7.807 4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.985 6.274 6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.317 7.919 7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.484 7.618 8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.601 8.037 7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.601 6.022 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.155 5.265 6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.835 4.339 8.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.259 5.845 9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.624 5.443 9.313 1.00 0.00 H new ATOM 696 N GLU A 45 8.395 9.962 3.059 1.00 0.00 N ATOM 697 CA GLU A 45 9.147 10.795 2.128 1.00 0.00 C ATOM 698 C GLU A 45 8.646 12.237 2.162 1.00 0.00 C ATOM 699 O GLU A 45 9.251 13.100 2.797 1.00 0.00 O ATOM 700 CB GLU A 45 9.036 10.240 0.707 1.00 0.00 C ATOM 701 CG GLU A 45 10.373 9.858 0.096 1.00 0.00 C ATOM 702 CD GLU A 45 11.454 10.886 0.369 1.00 0.00 C ATOM 703 OE1 GLU A 45 11.238 12.073 0.047 1.00 0.00 O ATOM 704 OE2 GLU A 45 12.515 10.504 0.905 1.00 0.00 O ATOM 0 H GLU A 45 7.757 9.302 2.614 1.00 0.00 H new ATOM 0 HA GLU A 45 10.193 10.783 2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.388 9.364 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.555 10.984 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.687 8.892 0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.255 9.737 -0.981 1.00 0.00 H new ATOM 711 N GLY A 46 7.537 12.488 1.474 1.00 0.00 N ATOM 712 CA GLY A 46 6.974 13.825 1.439 1.00 0.00 C ATOM 713 C GLY A 46 7.397 14.600 0.206 1.00 0.00 C ATOM 714 O GLY A 46 6.853 15.666 -0.084 1.00 0.00 O ATOM 0 H GLY A 46 7.019 11.790 0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.886 13.759 1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.284 14.370 2.331 1.00 0.00 H new ATOM 718 N LEU A 47 8.371 14.065 -0.521 1.00 0.00 N ATOM 719 CA LEU A 47 8.870 14.714 -1.729 1.00 0.00 C ATOM 720 C LEU A 47 7.718 15.122 -2.643 1.00 0.00 C ATOM 721 O LEU A 47 7.690 16.237 -3.161 1.00 0.00 O ATOM 722 CB LEU A 47 9.823 13.781 -2.477 1.00 0.00 C ATOM 723 CG LEU A 47 9.174 12.808 -3.464 1.00 0.00 C ATOM 724 CD1 LEU A 47 10.217 12.231 -4.407 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.452 11.695 -2.718 1.00 0.00 C ATOM 0 H LEU A 47 8.831 13.183 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 47 9.410 15.613 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.545 14.391 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.384 13.202 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 47 8.441 13.355 -4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.738 11.541 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.689 13.039 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.973 11.698 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.996 11.012 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.165 11.149 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.677 12.125 -2.084 1.00 0.00 H new ATOM 737 N GLU A 48 6.769 14.210 -2.832 1.00 0.00 N ATOM 738 CA GLU A 48 5.614 14.477 -3.682 1.00 0.00 C ATOM 739 C GLU A 48 4.594 13.345 -3.585 1.00 0.00 C ATOM 740 O GLU A 48 4.478 12.685 -2.552 1.00 0.00 O ATOM 741 CB GLU A 48 6.054 14.658 -5.136 1.00 0.00 C ATOM 742 CG GLU A 48 6.428 13.356 -5.825 1.00 0.00 C ATOM 743 CD GLU A 48 5.576 13.077 -7.048 1.00 0.00 C ATOM 744 OE1 GLU A 48 4.578 12.337 -6.918 1.00 0.00 O ATOM 745 OE2 GLU A 48 5.906 13.597 -8.134 1.00 0.00 O ATOM 0 H GLU A 48 6.777 13.282 -2.409 1.00 0.00 H new ATOM 0 HA GLU A 48 5.144 15.397 -3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.249 15.136 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.908 15.334 -5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.477 13.393 -6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.324 12.532 -5.119 1.00 0.00 H new ATOM 752 N THR A 49 3.855 13.128 -4.668 1.00 0.00 N ATOM 753 CA THR A 49 2.844 12.079 -4.706 1.00 0.00 C ATOM 754 C THR A 49 1.532 12.558 -4.095 1.00 0.00 C ATOM 755 O THR A 49 0.453 12.257 -4.604 1.00 0.00 O ATOM 756 CB THR A 49 3.315 10.818 -3.958 1.00 0.00 C ATOM 757 OG1 THR A 49 4.711 10.602 -4.193 1.00 0.00 O ATOM 758 CG2 THR A 49 2.526 9.596 -4.406 1.00 0.00 C ATOM 0 H THR A 49 3.938 13.665 -5.531 1.00 0.00 H new ATOM 0 HA THR A 49 2.684 11.832 -5.755 1.00 0.00 H new ATOM 0 HB THR A 49 3.145 10.970 -2.892 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.849 9.692 -4.530 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.877 8.718 -3.864 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.467 9.751 -4.200 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.669 9.443 -5.476 1.00 0.00 H new ATOM 766 N ALA A 50 1.633 13.305 -3.000 1.00 0.00 N ATOM 767 CA ALA A 50 0.453 13.828 -2.321 1.00 0.00 C ATOM 768 C ALA A 50 -0.393 12.699 -1.742 1.00 0.00 C ATOM 769 O ALA A 50 -1.480 12.933 -1.215 1.00 0.00 O ATOM 770 CB ALA A 50 -0.375 14.673 -3.277 1.00 0.00 C ATOM 0 H ALA A 50 2.519 13.561 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 50 0.788 14.456 -1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.253 15.057 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.226 15.507 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.693 14.061 -4.121 1.00 0.00 H new ATOM 776 N ILE A 51 0.113 11.474 -1.845 1.00 0.00 N ATOM 777 CA ILE A 51 -0.597 10.309 -1.330 1.00 0.00 C ATOM 778 C ILE A 51 -2.072 10.353 -1.711 1.00 0.00 C ATOM 779 O ILE A 51 -2.906 10.844 -0.949 1.00 0.00 O ATOM 780 CB ILE A 51 -0.475 10.207 0.201 1.00 0.00 C ATOM 781 CG1 ILE A 51 0.987 10.011 0.607 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.333 9.066 0.725 1.00 0.00 C ATOM 783 CD1 ILE A 51 1.889 11.151 0.185 1.00 0.00 C ATOM 0 H ILE A 51 1.011 11.263 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.134 9.431 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.833 11.138 0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.043 9.896 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.357 9.084 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.236 9.006 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.376 9.245 0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.003 8.128 0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.910 10.945 0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.863 11.253 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.544 12.077 0.645 1.00 0.00 H new ATOM 795 N SER A 52 -2.390 9.835 -2.893 1.00 0.00 N ATOM 796 CA SER A 52 -3.765 9.816 -3.376 1.00 0.00 C ATOM 797 C SER A 52 -4.400 8.447 -3.153 1.00 0.00 C ATOM 798 O SER A 52 -3.712 7.425 -3.138 1.00 0.00 O ATOM 799 CB SER A 52 -3.812 10.178 -4.861 1.00 0.00 C ATOM 800 OG SER A 52 -2.550 10.638 -5.314 1.00 0.00 O ATOM 0 H SER A 52 -1.713 9.422 -3.534 1.00 0.00 H new ATOM 0 HA SER A 52 -4.332 10.556 -2.812 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.115 9.307 -5.442 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.565 10.949 -5.027 1.00 0.00 H new ATOM 0 HG SER A 52 -2.546 11.618 -5.330 1.00 0.00 H new ATOM 806 N CYS A 53 -5.717 8.433 -2.981 1.00 0.00 N ATOM 807 CA CYS A 53 -6.448 7.191 -2.760 1.00 0.00 C ATOM 808 C CYS A 53 -5.815 6.042 -3.540 1.00 0.00 C ATOM 809 O CYS A 53 -5.456 6.176 -4.710 1.00 0.00 O ATOM 810 CB CYS A 53 -7.912 7.356 -3.171 1.00 0.00 C ATOM 811 SG CYS A 53 -8.924 5.859 -2.934 1.00 0.00 S ATOM 0 H CYS A 53 -6.301 9.269 -2.990 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.401 6.955 -1.697 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.350 8.172 -2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.953 7.647 -4.221 1.00 0.00 H new ATOM 0 HG CYS A 53 -10.146 6.098 -3.307 1.00 0.00 H new ATOM 816 N PRO A 54 -5.676 4.884 -2.878 1.00 0.00 N ATOM 817 CA PRO A 54 -5.089 3.688 -3.489 1.00 0.00 C ATOM 818 C PRO A 54 -5.989 3.081 -4.559 1.00 0.00 C ATOM 819 O PRO A 54 -5.672 2.040 -5.134 1.00 0.00 O ATOM 820 CB PRO A 54 -4.936 2.725 -2.310 1.00 0.00 C ATOM 821 CG PRO A 54 -5.970 3.160 -1.329 1.00 0.00 C ATOM 822 CD PRO A 54 -6.083 4.652 -1.482 1.00 0.00 C ATOM 0 HA PRO A 54 -4.152 3.911 -4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.094 1.692 -2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.935 2.780 -1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.925 2.674 -1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.681 2.893 -0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.100 4.999 -1.297 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.434 5.178 -0.782 1.00 0.00 H new ATOM 830 N ASP A 55 -7.114 3.739 -4.822 1.00 0.00 N ATOM 831 CA ASP A 55 -8.060 3.265 -5.825 1.00 0.00 C ATOM 832 C ASP A 55 -8.026 4.152 -7.067 1.00 0.00 C ATOM 833 O ASP A 55 -8.910 4.984 -7.271 1.00 0.00 O ATOM 834 CB ASP A 55 -9.475 3.230 -5.247 1.00 0.00 C ATOM 835 CG ASP A 55 -10.525 2.929 -6.299 1.00 0.00 C ATOM 836 OD1 ASP A 55 -10.217 2.171 -7.243 1.00 0.00 O ATOM 837 OD2 ASP A 55 -11.652 3.450 -6.177 1.00 0.00 O ATOM 0 H ASP A 55 -7.392 4.602 -4.354 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.769 2.255 -6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.525 2.475 -4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.697 4.190 -4.781 1.00 0.00 H new ATOM 842 N ALA A 56 -7.000 3.969 -7.891 1.00 0.00 N ATOM 843 CA ALA A 56 -6.852 4.751 -9.112 1.00 0.00 C ATOM 844 C ALA A 56 -8.186 4.898 -9.835 1.00 0.00 C ATOM 845 O ALA A 56 -8.381 5.831 -10.614 1.00 0.00 O ATOM 846 CB ALA A 56 -5.821 4.108 -10.029 1.00 0.00 C ATOM 0 H ALA A 56 -6.259 3.286 -7.735 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.506 5.747 -8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.721 4.703 -10.937 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.859 4.060 -9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.144 3.100 -10.289 1.00 0.00 H new ATOM 852 N ALA A 57 -9.103 3.972 -9.571 1.00 0.00 N ATOM 853 CA ALA A 57 -10.419 4.001 -10.195 1.00 0.00 C ATOM 854 C ALA A 57 -11.464 4.576 -9.246 1.00 0.00 C ATOM 855 O ALA A 57 -12.630 4.181 -9.278 1.00 0.00 O ATOM 856 CB ALA A 57 -10.822 2.604 -10.642 1.00 0.00 C ATOM 0 H ALA A 57 -8.958 3.193 -8.929 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.365 4.649 -11.070 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.807 2.641 -11.106 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.095 2.229 -11.362 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.853 1.940 -9.778 1.00 0.00 H new ATOM 862 N CYS A 58 -11.041 5.512 -8.404 1.00 0.00 N ATOM 863 CA CYS A 58 -11.940 6.141 -7.444 1.00 0.00 C ATOM 864 C CYS A 58 -12.696 7.301 -8.086 1.00 0.00 C ATOM 865 O CYS A 58 -12.122 8.138 -8.784 1.00 0.00 O ATOM 866 CB CYS A 58 -11.154 6.641 -6.229 1.00 0.00 C ATOM 867 SG CYS A 58 -12.200 7.155 -4.829 1.00 0.00 S ATOM 0 H CYS A 58 -10.080 5.852 -8.367 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.664 5.394 -7.118 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.480 5.852 -5.895 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.532 7.483 -6.533 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.126 6.267 -3.883 1.00 0.00 H new ATOM 872 N PRO A 59 -14.014 7.353 -7.846 1.00 0.00 N ATOM 873 CA PRO A 59 -14.877 8.405 -8.392 1.00 0.00 C ATOM 874 C PRO A 59 -14.608 9.764 -7.754 1.00 0.00 C ATOM 875 O PRO A 59 -15.053 10.796 -8.255 1.00 0.00 O ATOM 876 CB PRO A 59 -16.287 7.922 -8.046 1.00 0.00 C ATOM 877 CG PRO A 59 -16.106 7.045 -6.855 1.00 0.00 C ATOM 878 CD PRO A 59 -14.764 6.388 -7.025 1.00 0.00 C ATOM 0 HA PRO A 59 -14.713 8.554 -9.459 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.949 8.759 -7.824 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.733 7.375 -8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.142 7.626 -5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.900 6.301 -6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.278 6.213 -6.065 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.850 5.421 -7.520 1.00 0.00 H new ATOM 886 N LYS A 60 -13.878 9.756 -6.644 1.00 0.00 N ATOM 887 CA LYS A 60 -13.547 10.988 -5.936 1.00 0.00 C ATOM 888 C LYS A 60 -12.036 11.165 -5.829 1.00 0.00 C ATOM 889 O LYS A 60 -11.547 12.272 -5.605 1.00 0.00 O ATOM 890 CB LYS A 60 -14.171 10.981 -4.539 1.00 0.00 C ATOM 891 CG LYS A 60 -15.690 10.969 -4.551 1.00 0.00 C ATOM 892 CD LYS A 60 -16.262 12.204 -3.876 1.00 0.00 C ATOM 893 CE LYS A 60 -16.101 13.440 -4.747 1.00 0.00 C ATOM 894 NZ LYS A 60 -14.906 14.239 -4.360 1.00 0.00 N ATOM 0 H LYS A 60 -13.504 8.910 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.953 11.825 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.813 10.107 -3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.827 11.859 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.046 10.917 -5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.052 10.075 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -17.318 12.045 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.761 12.363 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.014 13.140 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.994 14.060 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.051 15.233 -4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.765 14.176 -3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.067 13.867 -4.848 1.00 0.00 H new ATOM 908 N GLN A 61 -11.303 10.069 -5.993 1.00 0.00 N ATOM 909 CA GLN A 61 -9.847 10.105 -5.915 1.00 0.00 C ATOM 910 C GLN A 61 -9.384 11.101 -4.858 1.00 0.00 C ATOM 911 O GLN A 61 -8.632 12.030 -5.152 1.00 0.00 O ATOM 912 CB GLN A 61 -9.252 10.473 -7.275 1.00 0.00 C ATOM 913 CG GLN A 61 -9.465 9.410 -8.340 1.00 0.00 C ATOM 914 CD GLN A 61 -8.419 9.463 -9.436 1.00 0.00 C ATOM 915 OE1 GLN A 61 -7.876 8.435 -9.843 1.00 0.00 O ATOM 916 NE2 GLN A 61 -8.131 10.665 -9.921 1.00 0.00 N ATOM 0 H GLN A 61 -11.693 9.145 -6.181 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.498 9.112 -5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.695 11.409 -7.615 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.183 10.650 -7.159 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.447 8.425 -7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.454 9.536 -8.781 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.605 11.490 -9.554 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.435 10.763 -10.660 1.00 0.00 H new ATOM 925 N GLY A 62 -9.836 10.902 -3.624 1.00 0.00 N ATOM 926 CA GLY A 62 -9.458 11.790 -2.541 1.00 0.00 C ATOM 927 C GLY A 62 -8.020 11.593 -2.104 1.00 0.00 C ATOM 928 O GLY A 62 -7.511 10.471 -2.105 1.00 0.00 O ATOM 0 H GLY A 62 -10.458 10.140 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.600 12.824 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.119 11.623 -1.691 1.00 0.00 H new ATOM 932 N HIS A 63 -7.360 12.686 -1.733 1.00 0.00 N ATOM 933 CA HIS A 63 -5.971 12.628 -1.294 1.00 0.00 C ATOM 934 C HIS A 63 -5.887 12.449 0.219 1.00 0.00 C ATOM 935 O HIS A 63 -6.889 12.564 0.925 1.00 0.00 O ATOM 936 CB HIS A 63 -5.228 13.897 -1.711 1.00 0.00 C ATOM 937 CG HIS A 63 -4.532 13.778 -3.032 1.00 0.00 C ATOM 938 ND1 HIS A 63 -4.877 14.529 -4.135 1.00 0.00 N ATOM 939 CD2 HIS A 63 -3.504 12.989 -3.423 1.00 0.00 C ATOM 940 CE1 HIS A 63 -4.093 14.206 -5.148 1.00 0.00 C ATOM 941 NE2 HIS A 63 -3.251 13.274 -4.742 1.00 0.00 N ATOM 0 H HIS A 63 -7.765 13.622 -1.728 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.501 11.768 -1.771 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.936 14.724 -1.756 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.494 14.147 -0.945 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -5.622 15.226 -4.165 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.980 12.269 -2.811 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.134 14.632 -6.140 1.00 0.00 H new ATOM 949 N LEU A 64 -4.685 12.165 0.711 1.00 0.00 N ATOM 950 CA LEU A 64 -4.470 11.969 2.140 1.00 0.00 C ATOM 951 C LEU A 64 -3.451 12.969 2.679 1.00 0.00 C ATOM 952 O LEU A 64 -2.684 13.558 1.919 1.00 0.00 O ATOM 953 CB LEU A 64 -3.994 10.541 2.413 1.00 0.00 C ATOM 954 CG LEU A 64 -5.069 9.456 2.369 1.00 0.00 C ATOM 955 CD1 LEU A 64 -4.472 8.130 1.922 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.737 9.311 3.729 1.00 0.00 C ATOM 0 H LEU A 64 -3.845 12.066 0.141 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.419 12.133 2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.223 10.291 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.523 10.518 3.396 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.827 9.752 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.253 7.370 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.042 8.242 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.693 7.827 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.500 8.534 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.990 9.038 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.201 10.257 4.009 1.00 0.00 H new ATOM 968 N GLN A 65 -3.450 13.152 3.995 1.00 0.00 N ATOM 969 CA GLN A 65 -2.524 14.080 4.635 1.00 0.00 C ATOM 970 C GLN A 65 -1.172 13.418 4.877 1.00 0.00 C ATOM 971 O GLN A 65 -1.042 12.198 4.786 1.00 0.00 O ATOM 972 CB GLN A 65 -3.104 14.579 5.960 1.00 0.00 C ATOM 973 CG GLN A 65 -4.584 14.272 6.130 1.00 0.00 C ATOM 974 CD GLN A 65 -4.833 12.874 6.659 1.00 0.00 C ATOM 975 OE1 GLN A 65 -3.863 11.987 6.468 1.00 0.00 O flip ATOM 976 NE2 GLN A 65 -5.885 12.593 7.232 1.00 0.00 N flip ATOM 0 H GLN A 65 -4.079 12.671 4.638 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.379 14.929 3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.551 14.126 6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.954 15.656 6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.026 14.998 6.812 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.088 14.388 5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.604 13.306 7.357 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.038 11.647 7.582 1.00 0.00 H new ATOM 985 N GLU A 66 -0.166 14.233 5.182 1.00 0.00 N ATOM 986 CA GLU A 66 1.177 13.726 5.435 1.00 0.00 C ATOM 987 C GLU A 66 1.380 13.438 6.920 1.00 0.00 C ATOM 988 O GLU A 66 2.149 12.553 7.292 1.00 0.00 O ATOM 989 CB GLU A 66 2.225 14.731 4.951 1.00 0.00 C ATOM 990 CG GLU A 66 2.920 14.313 3.667 1.00 0.00 C ATOM 991 CD GLU A 66 4.431 14.400 3.767 1.00 0.00 C ATOM 992 OE1 GLU A 66 5.036 13.507 4.395 1.00 0.00 O ATOM 993 OE2 GLU A 66 5.008 15.361 3.215 1.00 0.00 O ATOM 0 H GLU A 66 -0.256 15.246 5.260 1.00 0.00 H new ATOM 0 HA GLU A 66 1.295 12.794 4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.745 15.698 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.973 14.867 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.634 13.291 3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.577 14.947 2.849 1.00 0.00 H new ATOM 1000 N ASN A 67 0.685 14.195 7.764 1.00 0.00 N ATOM 1001 CA ASN A 67 0.790 14.022 9.209 1.00 0.00 C ATOM 1002 C ASN A 67 -0.276 13.057 9.719 1.00 0.00 C ATOM 1003 O ASN A 67 0.042 11.994 10.252 1.00 0.00 O ATOM 1004 CB ASN A 67 0.651 15.372 9.915 1.00 0.00 C ATOM 1005 CG ASN A 67 -0.267 15.303 11.120 1.00 0.00 C ATOM 1006 OD1 ASN A 67 0.080 14.717 12.146 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -1.446 15.902 11.001 1.00 0.00 N ATOM 0 H ASN A 67 0.044 14.933 7.473 1.00 0.00 H new ATOM 0 HA ASN A 67 1.771 13.602 9.431 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.636 15.717 10.231 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.266 16.109 9.210 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.106 15.888 11.779 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.692 16.376 10.132 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.540 13.435 9.551 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.651 12.601 9.996 1.00 0.00 C ATOM 1016 C GLU A 68 -2.375 11.128 9.710 1.00 0.00 C ATOM 1017 O GLU A 68 -2.692 10.258 10.521 1.00 0.00 O ATOM 1018 CB GLU A 68 -3.947 13.032 9.306 1.00 0.00 C ATOM 1019 CG GLU A 68 -4.953 13.672 10.248 1.00 0.00 C ATOM 1020 CD GLU A 68 -5.886 12.658 10.881 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -5.454 11.505 11.090 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -7.048 13.017 11.168 1.00 0.00 O ATOM 0 H GLU A 68 -1.820 14.312 9.111 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.760 12.729 11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.708 13.737 8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.405 12.162 8.835 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.420 14.209 11.033 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.541 14.409 9.700 1.00 0.00 H new ATOM 1029 N ILE A 69 -1.783 10.857 8.552 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.464 9.491 8.159 1.00 0.00 C ATOM 1031 C ILE A 69 -0.287 8.948 8.962 1.00 0.00 C ATOM 1032 O ILE A 69 -0.429 7.993 9.724 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.133 9.399 6.658 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.409 9.528 5.823 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.423 8.089 6.351 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.455 8.583 4.642 1.00 0.00 C ATOM 0 H ILE A 69 -1.515 11.566 7.869 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.349 8.889 8.365 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.466 10.221 6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.272 9.341 6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.496 10.553 5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.196 8.039 5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.504 8.035 6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.067 7.253 6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.387 8.729 4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.611 8.784 3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.400 7.554 4.997 1.00 0.00 H new ATOM 1048 N GLU A 70 0.877 9.566 8.786 1.00 0.00 N ATOM 1049 CA GLU A 70 2.081 9.146 9.495 1.00 0.00 C ATOM 1050 C GLU A 70 1.816 9.034 10.994 1.00 0.00 C ATOM 1051 O GLU A 70 2.580 8.399 11.724 1.00 0.00 O ATOM 1052 CB GLU A 70 3.221 10.133 9.241 1.00 0.00 C ATOM 1053 CG GLU A 70 3.317 11.234 10.283 1.00 0.00 C ATOM 1054 CD GLU A 70 4.531 12.122 10.083 1.00 0.00 C ATOM 1055 OE1 GLU A 70 4.452 13.321 10.425 1.00 0.00 O ATOM 1056 OE2 GLU A 70 5.560 11.618 9.588 1.00 0.00 O ATOM 0 H GLU A 70 1.012 10.359 8.159 1.00 0.00 H new ATOM 0 HA GLU A 70 2.370 8.165 9.118 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.164 9.587 9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.086 10.585 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.415 11.844 10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.358 10.787 11.276 1.00 0.00 H new ATOM 1063 N CYS A 71 0.732 9.652 11.445 1.00 0.00 N ATOM 1064 CA CYS A 71 0.367 9.623 12.857 1.00 0.00 C ATOM 1065 C CYS A 71 -0.239 8.276 13.235 1.00 0.00 C ATOM 1066 O CYS A 71 -0.072 7.801 14.357 1.00 0.00 O ATOM 1067 CB CYS A 71 -0.621 10.747 13.174 1.00 0.00 C ATOM 1068 SG CYS A 71 -1.941 10.270 14.313 1.00 0.00 S ATOM 0 H CYS A 71 0.090 10.180 10.854 1.00 0.00 H new ATOM 0 HA CYS A 71 1.274 9.770 13.443 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.074 11.588 13.601 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.068 11.097 12.243 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.723 11.287 14.521 1.00 0.00 H new ATOM 1074 N MET A 72 -0.946 7.665 12.289 1.00 0.00 N ATOM 1075 CA MET A 72 -1.578 6.371 12.523 1.00 0.00 C ATOM 1076 C MET A 72 -0.587 5.234 12.301 1.00 0.00 C ATOM 1077 O MET A 72 -0.948 4.059 12.371 1.00 0.00 O ATOM 1078 CB MET A 72 -2.787 6.197 11.601 1.00 0.00 C ATOM 1079 CG MET A 72 -2.463 5.469 10.306 1.00 0.00 C ATOM 1080 SD MET A 72 -3.521 5.982 8.939 1.00 0.00 S ATOM 1081 CE MET A 72 -2.754 5.114 7.573 1.00 0.00 C ATOM 0 H MET A 72 -1.095 8.045 11.354 1.00 0.00 H new ATOM 0 HA MET A 72 -1.913 6.340 13.560 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.563 5.647 12.133 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.197 7.179 11.364 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.421 5.651 10.042 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.570 4.395 10.460 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.115 5.527 6.631 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.672 5.231 7.630 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.008 4.055 7.626 1.00 0.00 H new ATOM 1091 N VAL A 73 0.666 5.590 12.034 1.00 0.00 N ATOM 1092 CA VAL A 73 1.710 4.599 11.802 1.00 0.00 C ATOM 1093 C VAL A 73 3.008 4.996 12.497 1.00 0.00 C ATOM 1094 O VAL A 73 3.517 4.268 13.347 1.00 0.00 O ATOM 1095 CB VAL A 73 1.982 4.410 10.298 1.00 0.00 C ATOM 1096 CG1 VAL A 73 0.901 3.548 9.665 1.00 0.00 C ATOM 1097 CG2 VAL A 73 2.077 5.759 9.602 1.00 0.00 C ATOM 0 H VAL A 73 0.982 6.558 11.973 1.00 0.00 H new ATOM 0 HA VAL A 73 1.351 3.658 12.219 1.00 0.00 H new ATOM 0 HB VAL A 73 2.937 3.898 10.179 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.109 3.425 8.602 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.886 2.571 10.147 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.069 4.030 9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.270 5.608 8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.139 6.300 9.727 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.891 6.338 10.039 1.00 0.00 H new ATOM 1107 N ALA A 74 3.538 6.158 12.128 1.00 0.00 N ATOM 1108 CA ALA A 74 4.776 6.654 12.717 1.00 0.00 C ATOM 1109 C ALA A 74 4.492 7.684 13.804 1.00 0.00 C ATOM 1110 O ALA A 74 5.082 8.763 13.819 1.00 0.00 O ATOM 1111 CB ALA A 74 5.670 7.252 11.640 1.00 0.00 C ATOM 0 H ALA A 74 3.129 6.773 11.424 1.00 0.00 H new ATOM 0 HA ALA A 74 5.294 5.812 13.177 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.591 7.618 12.094 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.909 6.488 10.900 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.151 8.078 11.154 1.00 0.00 H new ATOM 1117 N ALA A 75 3.584 7.343 14.714 1.00 0.00 N ATOM 1118 CA ALA A 75 3.224 8.239 15.806 1.00 0.00 C ATOM 1119 C ALA A 75 4.459 8.907 16.398 1.00 0.00 C ATOM 1120 O ALA A 75 4.410 10.097 16.707 1.00 0.00 O ATOM 1121 CB ALA A 75 2.465 7.477 16.883 1.00 0.00 C ATOM 0 H ALA A 75 3.085 6.453 14.716 1.00 0.00 H new ATOM 0 HA ALA A 75 2.579 9.021 15.405 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.202 8.157 17.693 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.556 7.052 16.456 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.092 6.675 17.272 1.00 0.00 H new