USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 754 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 48 GLN : amide:sc= 0.484 K(o=1.3,f=-0.32) USER MOD Set 1.2: A 61 SER OG : rot -110:sc= 0.836 USER MOD Set 2.1: A 21 SER OG : rot -105:sc= 0.316 USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0.302 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -64:sc= 0.75 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.36) USER MOD Single : A 43 THR OG1 : rot 65:sc= 0.104 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 110:sc= 1.37 USER MOD Single : A 57 SER OG : rot -52:sc= 0.7 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -103:sc= 0.518! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 74:sc= -6.1! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -40:sc= 0.434 USER MOD Single : A 101 ASN : amide:sc= -0.148 K(o=-0.15,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 111 N GLU A 11 10.368 0.967 -11.089 1.00 0.00 N ATOM 112 CA GLU A 11 9.171 1.766 -11.294 1.00 0.00 C ATOM 113 C GLU A 11 8.133 1.452 -10.213 1.00 0.00 C ATOM 114 O GLU A 11 7.621 2.358 -9.557 1.00 0.00 O ATOM 115 CB GLU A 11 8.593 1.540 -12.691 1.00 0.00 C ATOM 116 CG GLU A 11 8.074 0.108 -12.845 1.00 0.00 C ATOM 117 CD GLU A 11 7.766 -0.209 -14.310 1.00 0.00 C ATOM 118 OE1 GLU A 11 8.728 -0.553 -15.030 1.00 0.00 O ATOM 119 OE2 GLU A 11 6.575 -0.099 -14.676 1.00 0.00 O ATOM 0 HA GLU A 11 9.442 2.819 -11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.782 2.246 -12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.359 1.736 -13.441 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.816 -0.594 -12.465 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.174 -0.023 -12.244 1.00 0.00 H new ATOM 126 N LEU A 12 7.855 0.165 -10.061 1.00 0.00 N ATOM 127 CA LEU A 12 6.887 -0.278 -9.072 1.00 0.00 C ATOM 128 C LEU A 12 7.515 -0.196 -7.679 1.00 0.00 C ATOM 129 O LEU A 12 6.937 0.395 -6.768 1.00 0.00 O ATOM 130 CB LEU A 12 6.359 -1.670 -9.427 1.00 0.00 C ATOM 131 CG LEU A 12 5.116 -1.707 -10.320 1.00 0.00 C ATOM 132 CD1 LEU A 12 4.837 -3.129 -10.811 1.00 0.00 C ATOM 133 CD2 LEU A 12 3.909 -1.100 -9.604 1.00 0.00 C ATOM 0 H LEU A 12 8.283 -0.584 -10.605 1.00 0.00 H new ATOM 0 HA LEU A 12 6.016 0.378 -9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.156 -2.224 -9.924 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.133 -2.199 -8.501 1.00 0.00 H new ATOM 0 HG LEU A 12 5.309 -1.094 -11.201 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.949 -3.128 -11.443 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.691 -3.490 -11.385 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.672 -3.784 -9.955 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.039 -1.139 -10.260 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.703 -1.665 -8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.123 -0.063 -9.346 1.00 0.00 H new ATOM 145 N LEU A 13 8.689 -0.798 -7.557 1.00 0.00 N ATOM 146 CA LEU A 13 9.401 -0.800 -6.291 1.00 0.00 C ATOM 147 C LEU A 13 9.473 0.629 -5.749 1.00 0.00 C ATOM 148 O LEU A 13 9.648 1.578 -6.511 1.00 0.00 O ATOM 149 CB LEU A 13 10.768 -1.469 -6.445 1.00 0.00 C ATOM 150 CG LEU A 13 11.105 -2.553 -5.420 1.00 0.00 C ATOM 151 CD1 LEU A 13 12.537 -3.059 -5.607 1.00 0.00 C ATOM 152 CD2 LEU A 13 10.856 -2.055 -3.994 1.00 0.00 C ATOM 0 H LEU A 13 9.165 -1.288 -8.315 1.00 0.00 H new ATOM 0 HA LEU A 13 8.863 -1.395 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.825 -1.909 -7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.536 -0.697 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 13 10.439 -3.400 -5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.751 -3.829 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.647 -3.478 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.235 -2.231 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.103 -2.845 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.480 -1.183 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.807 -1.782 -3.882 1.00 0.00 H new ATOM 164 N GLY A 14 9.335 0.737 -4.435 1.00 0.00 N ATOM 165 CA GLY A 14 9.382 2.034 -3.782 1.00 0.00 C ATOM 166 C GLY A 14 8.207 2.911 -4.220 1.00 0.00 C ATOM 167 O GLY A 14 8.279 4.137 -4.139 1.00 0.00 O ATOM 0 H GLY A 14 9.191 -0.053 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.358 1.902 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.321 2.532 -4.022 1.00 0.00 H new ATOM 171 N LYS A 15 7.152 2.250 -4.674 1.00 0.00 N ATOM 172 CA LYS A 15 5.964 2.954 -5.124 1.00 0.00 C ATOM 173 C LYS A 15 4.734 2.359 -4.438 1.00 0.00 C ATOM 174 O LYS A 15 4.795 1.260 -3.888 1.00 0.00 O ATOM 175 CB LYS A 15 5.882 2.944 -6.652 1.00 0.00 C ATOM 176 CG LYS A 15 4.701 2.098 -7.131 1.00 0.00 C ATOM 177 CD LYS A 15 4.528 2.208 -8.648 1.00 0.00 C ATOM 178 CE LYS A 15 3.455 3.239 -9.004 1.00 0.00 C ATOM 179 NZ LYS A 15 3.743 3.852 -10.320 1.00 0.00 N ATOM 0 H LYS A 15 7.096 1.234 -4.740 1.00 0.00 H new ATOM 0 HA LYS A 15 6.012 4.005 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.777 3.964 -7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.809 2.549 -7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.859 1.056 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.789 2.425 -6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.476 2.491 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.254 1.236 -9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.476 2.761 -9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.416 4.012 -8.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.006 4.549 -10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.669 4.325 -10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.757 3.113 -11.052 1.00 0.00 H new ATOM 193 N VAL A 16 3.644 3.110 -4.492 1.00 0.00 N ATOM 194 CA VAL A 16 2.400 2.671 -3.883 1.00 0.00 C ATOM 195 C VAL A 16 1.646 1.772 -4.865 1.00 0.00 C ATOM 196 O VAL A 16 1.330 2.189 -5.978 1.00 0.00 O ATOM 197 CB VAL A 16 1.581 3.883 -3.432 1.00 0.00 C ATOM 198 CG1 VAL A 16 0.120 3.499 -3.192 1.00 0.00 C ATOM 199 CG2 VAL A 16 2.192 4.523 -2.184 1.00 0.00 C ATOM 0 H VAL A 16 3.597 4.021 -4.949 1.00 0.00 H new ATOM 0 HA VAL A 16 2.600 2.080 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 16 1.606 4.621 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.440 4.378 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.310 3.111 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.067 2.734 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.591 5.382 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.212 3.794 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.208 4.850 -2.403 1.00 0.00 H new ATOM 209 N VAL A 17 1.379 0.554 -4.416 1.00 0.00 N ATOM 210 CA VAL A 17 0.669 -0.408 -5.241 1.00 0.00 C ATOM 211 C VAL A 17 -0.572 -0.900 -4.491 1.00 0.00 C ATOM 212 O VAL A 17 -0.718 -0.649 -3.295 1.00 0.00 O ATOM 213 CB VAL A 17 1.609 -1.543 -5.650 1.00 0.00 C ATOM 214 CG1 VAL A 17 2.650 -1.056 -6.660 1.00 0.00 C ATOM 215 CG2 VAL A 17 2.283 -2.165 -4.425 1.00 0.00 C ATOM 0 H VAL A 17 1.642 0.212 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 17 0.327 0.060 -6.164 1.00 0.00 H new ATOM 0 HB VAL A 17 1.011 -2.316 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.306 -1.883 -6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.145 -0.682 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.242 -0.256 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.946 -2.969 -4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.862 -1.403 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.522 -2.566 -3.755 1.00 0.00 H new ATOM 225 N SER A 18 -1.432 -1.592 -5.223 1.00 0.00 N ATOM 226 CA SER A 18 -2.653 -2.121 -4.641 1.00 0.00 C ATOM 227 C SER A 18 -2.508 -3.625 -4.397 1.00 0.00 C ATOM 228 O SER A 18 -2.089 -4.364 -5.287 1.00 0.00 O ATOM 229 CB SER A 18 -3.858 -1.843 -5.544 1.00 0.00 C ATOM 230 OG SER A 18 -3.703 -2.426 -6.835 1.00 0.00 O ATOM 0 H SER A 18 -1.307 -1.799 -6.214 1.00 0.00 H new ATOM 0 HA SER A 18 -2.823 -1.620 -3.688 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.761 -2.235 -5.075 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.994 -0.766 -5.646 1.00 0.00 H new ATOM 0 HG SER A 18 -2.944 -2.009 -7.293 1.00 0.00 H new ATOM 236 N VAL A 19 -2.863 -4.032 -3.188 1.00 0.00 N ATOM 237 CA VAL A 19 -2.777 -5.434 -2.815 1.00 0.00 C ATOM 238 C VAL A 19 -4.172 -6.059 -2.874 1.00 0.00 C ATOM 239 O VAL A 19 -5.056 -5.685 -2.104 1.00 0.00 O ATOM 240 CB VAL A 19 -2.117 -5.571 -1.441 1.00 0.00 C ATOM 241 CG1 VAL A 19 -2.306 -6.983 -0.882 1.00 0.00 C ATOM 242 CG2 VAL A 19 -0.635 -5.200 -1.505 1.00 0.00 C ATOM 0 H VAL A 19 -3.211 -3.416 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.147 -5.979 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.607 -4.873 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.828 -7.055 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.370 -7.195 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.854 -7.706 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.190 -5.306 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.124 -5.861 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.532 -4.168 -1.840 1.00 0.00 H new ATOM 252 N VAL A 20 -4.327 -6.999 -3.793 1.00 0.00 N ATOM 253 CA VAL A 20 -5.600 -7.680 -3.963 1.00 0.00 C ATOM 254 C VAL A 20 -5.716 -8.799 -2.926 1.00 0.00 C ATOM 255 O VAL A 20 -4.797 -9.601 -2.766 1.00 0.00 O ATOM 256 CB VAL A 20 -5.738 -8.181 -5.401 1.00 0.00 C ATOM 257 CG1 VAL A 20 -7.168 -8.646 -5.685 1.00 0.00 C ATOM 258 CG2 VAL A 20 -5.303 -7.108 -6.400 1.00 0.00 C ATOM 0 H VAL A 20 -3.591 -7.306 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.428 -6.991 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.076 -9.039 -5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.239 -8.997 -6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.428 -9.458 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.857 -7.814 -5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.411 -7.491 -7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.927 -6.223 -6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.261 -6.845 -6.221 1.00 0.00 H new ATOM 268 N SER A 21 -6.854 -8.818 -2.247 1.00 0.00 N ATOM 269 CA SER A 21 -7.103 -9.825 -1.231 1.00 0.00 C ATOM 270 C SER A 21 -7.440 -11.163 -1.891 1.00 0.00 C ATOM 271 O SER A 21 -8.236 -11.216 -2.827 1.00 0.00 O ATOM 272 CB SER A 21 -8.236 -9.395 -0.296 1.00 0.00 C ATOM 273 OG SER A 21 -8.218 -10.119 0.932 1.00 0.00 O ATOM 0 H SER A 21 -7.614 -8.151 -2.381 1.00 0.00 H new ATOM 0 HA SER A 21 -6.198 -9.939 -0.634 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.150 -8.328 -0.089 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.194 -9.548 -0.793 1.00 0.00 H new ATOM 0 HG SER A 21 -8.941 -10.781 0.932 1.00 0.00 H new ATOM 279 N ALA A 22 -6.815 -12.214 -1.378 1.00 0.00 N ATOM 280 CA ALA A 22 -7.038 -13.548 -1.906 1.00 0.00 C ATOM 281 C ALA A 22 -8.399 -14.061 -1.430 1.00 0.00 C ATOM 282 O ALA A 22 -8.928 -15.028 -1.976 1.00 0.00 O ATOM 283 CB ALA A 22 -5.889 -14.464 -1.481 1.00 0.00 C ATOM 0 H ALA A 22 -6.154 -12.167 -0.602 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.056 -13.531 -2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.056 -15.465 -1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.949 -14.072 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.842 -14.508 -0.393 1.00 0.00 H new ATOM 289 N THR A 23 -8.927 -13.389 -0.417 1.00 0.00 N ATOM 290 CA THR A 23 -10.215 -13.764 0.139 1.00 0.00 C ATOM 291 C THR A 23 -11.319 -12.862 -0.419 1.00 0.00 C ATOM 292 O THR A 23 -12.476 -13.270 -0.501 1.00 0.00 O ATOM 293 CB THR A 23 -10.104 -13.715 1.664 1.00 0.00 C ATOM 294 OG1 THR A 23 -9.898 -12.335 1.954 1.00 0.00 O ATOM 295 CG2 THR A 23 -8.837 -14.399 2.181 1.00 0.00 C ATOM 0 H THR A 23 -8.486 -12.587 0.033 1.00 0.00 H new ATOM 0 HA THR A 23 -10.490 -14.779 -0.149 1.00 0.00 H new ATOM 0 HB THR A 23 -10.979 -14.191 2.107 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.817 -12.213 2.923 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.807 -14.336 3.269 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.839 -15.446 1.878 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.960 -13.903 1.765 1.00 0.00 H new ATOM 303 N GLU A 24 -10.922 -11.653 -0.789 1.00 0.00 N ATOM 304 CA GLU A 24 -11.863 -10.691 -1.336 1.00 0.00 C ATOM 305 C GLU A 24 -11.185 -9.839 -2.411 1.00 0.00 C ATOM 306 O GLU A 24 -10.758 -8.717 -2.140 1.00 0.00 O ATOM 307 CB GLU A 24 -12.454 -9.813 -0.232 1.00 0.00 C ATOM 308 CG GLU A 24 -13.423 -8.780 -0.812 1.00 0.00 C ATOM 309 CD GLU A 24 -14.876 -9.222 -0.620 1.00 0.00 C ATOM 310 OE1 GLU A 24 -15.164 -9.762 0.470 1.00 0.00 O ATOM 311 OE2 GLU A 24 -15.663 -9.009 -1.567 1.00 0.00 O ATOM 0 H GLU A 24 -9.961 -11.318 -0.721 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.685 -11.238 -1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.974 -10.437 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.651 -9.304 0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.265 -7.816 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.219 -8.641 -1.874 1.00 0.00 H new ATOM 318 N ARG A 25 -11.108 -10.402 -3.606 1.00 0.00 N ATOM 319 CA ARG A 25 -10.490 -9.708 -4.724 1.00 0.00 C ATOM 320 C ARG A 25 -10.826 -8.216 -4.672 1.00 0.00 C ATOM 321 O ARG A 25 -9.955 -7.373 -4.875 1.00 0.00 O ATOM 322 CB ARG A 25 -10.960 -10.285 -6.060 1.00 0.00 C ATOM 323 CG ARG A 25 -10.079 -11.459 -6.490 1.00 0.00 C ATOM 324 CD ARG A 25 -10.085 -11.621 -8.012 1.00 0.00 C ATOM 325 NE ARG A 25 -10.466 -13.004 -8.373 1.00 0.00 N ATOM 326 CZ ARG A 25 -10.409 -13.498 -9.617 1.00 0.00 C ATOM 327 NH1 ARG A 25 -9.987 -12.725 -10.627 1.00 0.00 N ATOM 328 NH2 ARG A 25 -10.773 -14.766 -9.852 1.00 0.00 N ATOM 0 H ARG A 25 -11.464 -11.332 -3.826 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.412 -9.844 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.995 -10.615 -5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.936 -9.508 -6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.059 -11.299 -6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.436 -12.376 -6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.785 -10.914 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.099 -11.390 -8.414 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.792 -13.620 -7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.709 -11.760 -10.449 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.944 -13.102 -11.574 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.094 -15.355 -9.084 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.730 -15.142 -10.799 1.00 0.00 H new ATOM 342 N THR A 26 -12.092 -7.937 -4.400 1.00 0.00 N ATOM 343 CA THR A 26 -12.555 -6.562 -4.321 1.00 0.00 C ATOM 344 C THR A 26 -11.686 -5.762 -3.347 1.00 0.00 C ATOM 345 O THR A 26 -10.999 -4.825 -3.750 1.00 0.00 O ATOM 346 CB THR A 26 -14.036 -6.583 -3.936 1.00 0.00 C ATOM 347 OG1 THR A 26 -14.710 -6.831 -5.167 1.00 0.00 O ATOM 348 CG2 THR A 26 -14.547 -5.208 -3.501 1.00 0.00 C ATOM 0 H THR A 26 -12.812 -8.640 -4.231 1.00 0.00 H new ATOM 0 HA THR A 26 -12.461 -6.057 -5.283 1.00 0.00 H new ATOM 0 HB THR A 26 -14.192 -7.300 -3.130 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.677 -6.862 -5.010 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.603 -5.278 -3.239 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.980 -4.866 -2.635 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.423 -4.498 -4.319 1.00 0.00 H new ATOM 356 N GLU A 27 -11.744 -6.163 -2.086 1.00 0.00 N ATOM 357 CA GLU A 27 -10.971 -5.495 -1.052 1.00 0.00 C ATOM 358 C GLU A 27 -9.498 -5.413 -1.461 1.00 0.00 C ATOM 359 O GLU A 27 -8.875 -6.432 -1.754 1.00 0.00 O ATOM 360 CB GLU A 27 -11.128 -6.205 0.294 1.00 0.00 C ATOM 361 CG GLU A 27 -12.256 -5.579 1.115 1.00 0.00 C ATOM 362 CD GLU A 27 -11.940 -5.631 2.611 1.00 0.00 C ATOM 363 OE1 GLU A 27 -11.479 -6.705 3.057 1.00 0.00 O ATOM 364 OE2 GLU A 27 -12.165 -4.597 3.275 1.00 0.00 O ATOM 0 H GLU A 27 -12.314 -6.942 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.353 -4.481 -0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.337 -7.262 0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.193 -6.147 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.404 -4.544 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.189 -6.106 0.918 1.00 0.00 H new ATOM 371 N TRP A 28 -8.987 -4.191 -1.467 1.00 0.00 N ATOM 372 CA TRP A 28 -7.599 -3.963 -1.835 1.00 0.00 C ATOM 373 C TRP A 28 -7.059 -2.829 -0.961 1.00 0.00 C ATOM 374 O TRP A 28 -7.786 -1.892 -0.634 1.00 0.00 O ATOM 375 CB TRP A 28 -7.469 -3.677 -3.333 1.00 0.00 C ATOM 376 CG TRP A 28 -7.955 -2.287 -3.745 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.172 -1.934 -4.183 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.180 -1.070 -3.742 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.238 -0.584 -4.460 1.00 0.00 N ATOM 380 CE2 TRP A 28 -7.989 -0.042 -4.184 1.00 0.00 C ATOM 381 CE3 TRP A 28 -5.841 -0.844 -3.378 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -7.549 1.283 -4.303 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -5.417 0.485 -3.502 1.00 0.00 C ATOM 384 CH2 TRP A 28 -6.218 1.531 -3.945 1.00 0.00 C ATOM 0 H TRP A 28 -9.508 -3.349 -1.223 1.00 0.00 H new ATOM 0 HA TRP A 28 -7.000 -4.856 -1.656 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.424 -3.786 -3.624 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -8.034 -4.427 -3.886 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.997 -2.620 -4.304 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.054 -0.077 -4.804 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.191 -1.633 -3.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.201 2.070 -4.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.396 0.713 -3.235 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.816 2.531 -4.013 1.00 0.00 H new ATOM 395 N TYR A 29 -5.788 -2.951 -0.608 1.00 0.00 N ATOM 396 CA TYR A 29 -5.142 -1.948 0.222 1.00 0.00 C ATOM 397 C TYR A 29 -3.787 -1.544 -0.362 1.00 0.00 C ATOM 398 O TYR A 29 -3.103 -2.361 -0.976 1.00 0.00 O ATOM 399 CB TYR A 29 -4.920 -2.608 1.584 1.00 0.00 C ATOM 400 CG TYR A 29 -3.536 -3.238 1.753 1.00 0.00 C ATOM 401 CD1 TYR A 29 -2.482 -2.475 2.213 1.00 0.00 C ATOM 402 CD2 TYR A 29 -3.341 -4.569 1.444 1.00 0.00 C ATOM 403 CE1 TYR A 29 -1.180 -3.068 2.372 1.00 0.00 C ATOM 404 CE2 TYR A 29 -2.038 -5.161 1.602 1.00 0.00 C ATOM 405 CZ TYR A 29 -1.022 -4.382 2.059 1.00 0.00 C ATOM 406 OH TYR A 29 0.209 -4.942 2.208 1.00 0.00 O ATOM 0 H TYR A 29 -5.188 -3.729 -0.882 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.756 -1.050 0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.066 -1.862 2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.678 -3.377 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.634 -1.433 2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.166 -5.166 1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.347 -2.482 2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.872 -6.201 1.363 1.00 0.00 H new ATOM 0 HH TYR A 29 0.173 -5.886 1.948 1.00 0.00 H new ATOM 416 N PRO A 30 -3.431 -0.250 -0.145 1.00 0.00 N ATOM 417 CA PRO A 30 -2.171 0.273 -0.642 1.00 0.00 C ATOM 418 C PRO A 30 -0.997 -0.227 0.203 1.00 0.00 C ATOM 419 O PRO A 30 -1.086 -0.273 1.428 1.00 0.00 O ATOM 420 CB PRO A 30 -2.329 1.785 -0.603 1.00 0.00 C ATOM 421 CG PRO A 30 -3.485 2.058 0.346 1.00 0.00 C ATOM 422 CD PRO A 30 -4.217 0.746 0.578 1.00 0.00 C ATOM 0 HA PRO A 30 -1.946 -0.065 -1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.415 2.264 -0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.537 2.182 -1.597 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.117 2.462 1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.160 2.802 -0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.277 0.508 1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.240 0.791 0.203 1.00 0.00 H new ATOM 430 N ALA A 31 0.075 -0.590 -0.487 1.00 0.00 N ATOM 431 CA ALA A 31 1.264 -1.086 0.184 1.00 0.00 C ATOM 432 C ALA A 31 2.502 -0.681 -0.617 1.00 0.00 C ATOM 433 O ALA A 31 2.519 -0.793 -1.842 1.00 0.00 O ATOM 434 CB ALA A 31 1.155 -2.601 0.363 1.00 0.00 C ATOM 0 H ALA A 31 0.144 -0.550 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 31 1.356 -0.647 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.047 -2.973 0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.276 -2.834 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.064 -3.077 -0.613 1.00 0.00 H new ATOM 440 N LEU A 32 3.510 -0.216 0.107 1.00 0.00 N ATOM 441 CA LEU A 32 4.751 0.207 -0.521 1.00 0.00 C ATOM 442 C LEU A 32 5.717 -0.978 -0.580 1.00 0.00 C ATOM 443 O LEU A 32 6.191 -1.448 0.454 1.00 0.00 O ATOM 444 CB LEU A 32 5.323 1.432 0.194 1.00 0.00 C ATOM 445 CG LEU A 32 6.482 2.139 -0.510 1.00 0.00 C ATOM 446 CD1 LEU A 32 6.137 2.438 -1.970 1.00 0.00 C ATOM 447 CD2 LEU A 32 6.899 3.400 0.249 1.00 0.00 C ATOM 0 H LEU A 32 3.493 -0.123 1.123 1.00 0.00 H new ATOM 0 HA LEU A 32 4.570 0.523 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.518 2.153 0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.658 1.126 1.185 1.00 0.00 H new ATOM 0 HG LEU A 32 7.340 1.466 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.978 2.941 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.928 1.505 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.258 3.082 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.725 3.883 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.054 4.087 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.215 3.130 1.257 1.00 0.00 H new ATOM 459 N VAL A 33 5.980 -1.426 -1.798 1.00 0.00 N ATOM 460 CA VAL A 33 6.882 -2.547 -2.005 1.00 0.00 C ATOM 461 C VAL A 33 8.255 -2.205 -1.423 1.00 0.00 C ATOM 462 O VAL A 33 8.648 -1.040 -1.393 1.00 0.00 O ATOM 463 CB VAL A 33 6.935 -2.909 -3.490 1.00 0.00 C ATOM 464 CG1 VAL A 33 7.889 -4.080 -3.736 1.00 0.00 C ATOM 465 CG2 VAL A 33 5.537 -3.219 -4.029 1.00 0.00 C ATOM 0 H VAL A 33 5.585 -1.033 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 33 6.518 -3.432 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 33 7.319 -2.045 -4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.908 -4.317 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.892 -3.808 -3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.548 -4.951 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.603 -3.473 -5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.113 -4.060 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.897 -2.345 -3.905 1.00 0.00 H new ATOM 475 N ILE A 34 8.948 -3.242 -0.976 1.00 0.00 N ATOM 476 CA ILE A 34 10.269 -3.066 -0.397 1.00 0.00 C ATOM 477 C ILE A 34 11.026 -4.394 -0.453 1.00 0.00 C ATOM 478 O ILE A 34 10.502 -5.392 -0.948 1.00 0.00 O ATOM 479 CB ILE A 34 10.163 -2.478 1.011 1.00 0.00 C ATOM 480 CG1 ILE A 34 9.008 -3.114 1.786 1.00 0.00 C ATOM 481 CG2 ILE A 34 10.048 -0.952 0.960 1.00 0.00 C ATOM 482 CD1 ILE A 34 9.056 -2.720 3.263 1.00 0.00 C ATOM 0 H ILE A 34 8.619 -4.207 -1.003 1.00 0.00 H new ATOM 0 HA ILE A 34 10.846 -2.345 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 34 11.080 -2.715 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.058 -2.800 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.057 -4.199 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.974 -0.559 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.930 -0.537 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.158 -0.673 0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.224 -3.186 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.996 -3.057 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.982 -1.636 3.353 1.00 0.00 H new ATOM 494 N SER A 35 12.246 -4.365 0.062 1.00 0.00 N ATOM 495 CA SER A 35 13.082 -5.554 0.078 1.00 0.00 C ATOM 496 C SER A 35 13.520 -5.867 1.510 1.00 0.00 C ATOM 497 O SER A 35 13.878 -4.966 2.265 1.00 0.00 O ATOM 498 CB SER A 35 14.304 -5.381 -0.825 1.00 0.00 C ATOM 499 OG SER A 35 15.322 -4.603 -0.202 1.00 0.00 O ATOM 0 H SER A 35 12.676 -3.536 0.472 1.00 0.00 H new ATOM 0 HA SER A 35 12.496 -6.389 -0.306 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.704 -6.361 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.002 -4.903 -1.757 1.00 0.00 H new ATOM 0 HG SER A 35 16.086 -4.517 -0.810 1.00 0.00 H new ATOM 505 N PRO A 36 13.475 -7.184 1.850 1.00 0.00 N ATOM 506 CA PRO A 36 13.864 -7.628 3.178 1.00 0.00 C ATOM 507 C PRO A 36 15.386 -7.600 3.342 1.00 0.00 C ATOM 508 O PRO A 36 16.018 -8.647 3.469 1.00 0.00 O ATOM 509 CB PRO A 36 13.277 -9.023 3.313 1.00 0.00 C ATOM 510 CG PRO A 36 12.983 -9.491 1.898 1.00 0.00 C ATOM 511 CD PRO A 36 13.056 -8.281 0.982 1.00 0.00 C ATOM 0 HA PRO A 36 13.490 -6.975 3.967 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.978 -9.695 3.809 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.369 -9.008 3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.704 -10.248 1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.996 -9.951 1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.768 -8.440 0.172 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.090 -8.074 0.521 1.00 0.00 H new ATOM 519 N SER A 37 15.927 -6.392 3.334 1.00 0.00 N ATOM 520 CA SER A 37 17.363 -6.213 3.481 1.00 0.00 C ATOM 521 C SER A 37 17.717 -6.023 4.956 1.00 0.00 C ATOM 522 O SER A 37 18.483 -6.804 5.520 1.00 0.00 O ATOM 523 CB SER A 37 17.856 -5.022 2.658 1.00 0.00 C ATOM 524 OG SER A 37 19.214 -5.180 2.252 1.00 0.00 O ATOM 0 H SER A 37 15.398 -5.526 3.228 1.00 0.00 H new ATOM 0 HA SER A 37 17.860 -7.108 3.107 1.00 0.00 H new ATOM 0 HB2 SER A 37 17.225 -4.904 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 37 17.757 -4.109 3.245 1.00 0.00 H new ATOM 0 HG SER A 37 19.491 -4.400 1.727 1.00 0.00 H new ATOM 530 N CYS A 38 17.145 -4.980 5.540 1.00 0.00 N ATOM 531 CA CYS A 38 17.392 -4.677 6.940 1.00 0.00 C ATOM 532 C CYS A 38 16.888 -5.851 7.783 1.00 0.00 C ATOM 533 O CYS A 38 17.619 -6.376 8.621 1.00 0.00 O ATOM 534 CB CYS A 38 16.743 -3.356 7.356 1.00 0.00 C ATOM 535 SG CYS A 38 17.668 -2.614 8.749 1.00 0.00 S ATOM 0 H CYS A 38 16.511 -4.334 5.069 1.00 0.00 H new ATOM 0 HA CYS A 38 18.462 -4.548 7.103 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.728 -2.667 6.511 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.707 -3.527 7.647 1.00 0.00 H new ATOM 0 HG CYS A 38 17.109 -1.492 9.092 1.00 0.00 H new ATOM 541 N ASN A 39 15.645 -6.229 7.528 1.00 0.00 N ATOM 542 CA ASN A 39 15.035 -7.332 8.252 1.00 0.00 C ATOM 543 C ASN A 39 15.659 -8.649 7.787 1.00 0.00 C ATOM 544 O ASN A 39 16.065 -8.774 6.634 1.00 0.00 O ATOM 545 CB ASN A 39 13.530 -7.402 7.984 1.00 0.00 C ATOM 546 CG ASN A 39 12.908 -6.004 7.977 1.00 0.00 C ATOM 547 OD1 ASN A 39 12.741 -5.374 6.945 1.00 0.00 O ATOM 548 ND2 ASN A 39 12.576 -5.554 9.184 1.00 0.00 N ATOM 0 H ASN A 39 15.043 -5.792 6.830 1.00 0.00 H new ATOM 0 HA ASN A 39 15.205 -7.171 9.317 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.350 -7.889 7.025 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.049 -8.014 8.747 1.00 0.00 H new ATOM 0 HD21 ASN A 39 12.155 -4.631 9.286 1.00 0.00 H new ATOM 0 HD22 ASN A 39 12.743 -6.132 10.008 1.00 0.00 H new ATOM 555 N ASP A 40 15.716 -9.597 8.711 1.00 0.00 N ATOM 556 CA ASP A 40 16.285 -10.900 8.412 1.00 0.00 C ATOM 557 C ASP A 40 15.234 -11.982 8.670 1.00 0.00 C ATOM 558 O ASP A 40 14.948 -12.797 7.793 1.00 0.00 O ATOM 559 CB ASP A 40 17.494 -11.193 9.302 1.00 0.00 C ATOM 560 CG ASP A 40 18.721 -11.738 8.570 1.00 0.00 C ATOM 561 OD1 ASP A 40 19.186 -11.040 7.643 1.00 0.00 O ATOM 562 OD2 ASP A 40 19.166 -12.842 8.953 1.00 0.00 O ATOM 0 H ASP A 40 15.377 -9.489 9.667 1.00 0.00 H new ATOM 0 HA ASP A 40 16.599 -10.898 7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.776 -10.276 9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.197 -11.911 10.066 1.00 0.00 H new ATOM 567 N ASP A 41 14.689 -11.957 9.877 1.00 0.00 N ATOM 568 CA ASP A 41 13.677 -12.925 10.263 1.00 0.00 C ATOM 569 C ASP A 41 12.541 -12.904 9.237 1.00 0.00 C ATOM 570 O ASP A 41 11.942 -13.939 8.948 1.00 0.00 O ATOM 571 CB ASP A 41 13.083 -12.586 11.631 1.00 0.00 C ATOM 572 CG ASP A 41 13.820 -13.198 12.824 1.00 0.00 C ATOM 573 OD1 ASP A 41 14.403 -14.287 12.633 1.00 0.00 O ATOM 574 OD2 ASP A 41 13.783 -12.563 13.900 1.00 0.00 O ATOM 0 H ASP A 41 14.930 -11.281 10.601 1.00 0.00 H new ATOM 0 HA ASP A 41 14.149 -13.906 10.308 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.071 -11.502 11.747 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.046 -12.920 11.653 1.00 0.00 H new ATOM 579 N ILE A 42 12.280 -11.715 8.714 1.00 0.00 N ATOM 580 CA ILE A 42 11.227 -11.546 7.727 1.00 0.00 C ATOM 581 C ILE A 42 11.498 -12.469 6.536 1.00 0.00 C ATOM 582 O ILE A 42 12.160 -12.074 5.579 1.00 0.00 O ATOM 583 CB ILE A 42 11.085 -10.073 7.343 1.00 0.00 C ATOM 584 CG1 ILE A 42 10.806 -9.208 8.575 1.00 0.00 C ATOM 585 CG2 ILE A 42 10.019 -9.888 6.261 1.00 0.00 C ATOM 586 CD1 ILE A 42 9.335 -9.299 8.986 1.00 0.00 C ATOM 0 H ILE A 42 12.780 -10.859 8.955 1.00 0.00 H new ATOM 0 HA ILE A 42 10.263 -11.837 8.144 1.00 0.00 H new ATOM 0 HB ILE A 42 12.033 -9.738 6.922 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.439 -9.531 9.402 1.00 0.00 H new ATOM 0 HG13 ILE A 42 11.064 -8.171 8.362 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.938 -8.831 6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.300 -10.455 5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.059 -10.246 6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.163 -8.676 9.863 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.706 -8.953 8.166 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.086 -10.334 9.222 1.00 0.00 H new ATOM 598 N THR A 43 10.971 -13.680 6.636 1.00 0.00 N ATOM 599 CA THR A 43 11.147 -14.662 5.579 1.00 0.00 C ATOM 600 C THR A 43 10.111 -14.448 4.475 1.00 0.00 C ATOM 601 O THR A 43 8.928 -14.728 4.666 1.00 0.00 O ATOM 602 CB THR A 43 11.084 -16.053 6.212 1.00 0.00 C ATOM 603 OG1 THR A 43 12.365 -16.222 6.812 1.00 0.00 O ATOM 604 CG2 THR A 43 11.012 -17.169 5.167 1.00 0.00 C ATOM 0 H THR A 43 10.422 -14.004 7.432 1.00 0.00 H new ATOM 0 HA THR A 43 12.117 -14.554 5.095 1.00 0.00 H new ATOM 0 HB THR A 43 10.216 -16.113 6.868 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.476 -15.570 7.535 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.969 -18.135 5.669 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.119 -17.038 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.896 -17.130 4.531 1.00 0.00 H new ATOM 612 N VAL A 44 10.592 -13.955 3.344 1.00 0.00 N ATOM 613 CA VAL A 44 9.722 -13.701 2.208 1.00 0.00 C ATOM 614 C VAL A 44 9.845 -14.853 1.208 1.00 0.00 C ATOM 615 O VAL A 44 10.948 -15.206 0.796 1.00 0.00 O ATOM 616 CB VAL A 44 10.047 -12.338 1.593 1.00 0.00 C ATOM 617 CG1 VAL A 44 9.340 -12.159 0.249 1.00 0.00 C ATOM 618 CG2 VAL A 44 9.692 -11.204 2.556 1.00 0.00 C ATOM 0 H VAL A 44 11.573 -13.724 3.189 1.00 0.00 H new ATOM 0 HA VAL A 44 8.681 -13.658 2.528 1.00 0.00 H new ATOM 0 HB VAL A 44 11.121 -12.300 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.589 -11.182 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.665 -12.939 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.262 -12.228 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.933 -10.246 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.627 -11.240 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.263 -11.317 3.477 1.00 0.00 H new ATOM 628 N LYS A 45 8.696 -15.406 0.847 1.00 0.00 N ATOM 629 CA LYS A 45 8.662 -16.511 -0.096 1.00 0.00 C ATOM 630 C LYS A 45 9.334 -16.082 -1.402 1.00 0.00 C ATOM 631 O LYS A 45 9.971 -15.031 -1.461 1.00 0.00 O ATOM 632 CB LYS A 45 7.229 -17.015 -0.278 1.00 0.00 C ATOM 633 CG LYS A 45 6.954 -18.222 0.622 1.00 0.00 C ATOM 634 CD LYS A 45 7.116 -17.852 2.098 1.00 0.00 C ATOM 635 CE LYS A 45 7.111 -19.103 2.979 1.00 0.00 C ATOM 636 NZ LYS A 45 5.747 -19.376 3.484 1.00 0.00 N ATOM 0 H LYS A 45 7.782 -15.110 1.190 1.00 0.00 H new ATOM 0 HA LYS A 45 9.227 -17.359 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.526 -16.215 -0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.066 -17.289 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.944 -18.590 0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.638 -19.032 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.049 -17.306 2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.308 -17.186 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.472 -19.959 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.795 -18.968 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.762 -20.228 4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.416 -18.566 4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.103 -19.526 2.681 1.00 0.00 H new ATOM 650 N LYS A 46 9.168 -16.916 -2.418 1.00 0.00 N ATOM 651 CA LYS A 46 9.751 -16.636 -3.719 1.00 0.00 C ATOM 652 C LYS A 46 8.763 -15.812 -4.548 1.00 0.00 C ATOM 653 O LYS A 46 9.157 -14.865 -5.227 1.00 0.00 O ATOM 654 CB LYS A 46 10.191 -17.934 -4.400 1.00 0.00 C ATOM 655 CG LYS A 46 11.371 -17.686 -5.341 1.00 0.00 C ATOM 656 CD LYS A 46 11.539 -18.843 -6.327 1.00 0.00 C ATOM 657 CE LYS A 46 12.681 -19.767 -5.901 1.00 0.00 C ATOM 658 NZ LYS A 46 12.717 -20.975 -6.754 1.00 0.00 N ATOM 0 H LYS A 46 8.638 -17.786 -2.366 1.00 0.00 H new ATOM 0 HA LYS A 46 10.655 -16.037 -3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.471 -18.668 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.357 -18.356 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.215 -16.757 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.285 -17.564 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.611 -19.411 -6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.738 -18.450 -7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.631 -19.237 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.553 -20.055 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.498 -21.591 -6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.817 -21.489 -6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.861 -20.696 -7.745 1.00 0.00 H new ATOM 672 N ASP A 47 7.500 -16.200 -4.464 1.00 0.00 N ATOM 673 CA ASP A 47 6.453 -15.509 -5.198 1.00 0.00 C ATOM 674 C ASP A 47 5.817 -14.450 -4.294 1.00 0.00 C ATOM 675 O ASP A 47 4.661 -14.076 -4.489 1.00 0.00 O ATOM 676 CB ASP A 47 5.354 -16.479 -5.636 1.00 0.00 C ATOM 677 CG ASP A 47 5.695 -17.332 -6.860 1.00 0.00 C ATOM 678 OD1 ASP A 47 6.692 -16.989 -7.530 1.00 0.00 O ATOM 679 OD2 ASP A 47 4.950 -18.306 -7.097 1.00 0.00 O ATOM 0 H ASP A 47 7.177 -16.985 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 47 6.904 -15.054 -6.080 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.122 -17.142 -4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.450 -15.908 -5.850 1.00 0.00 H new ATOM 684 N GLN A 48 6.599 -13.999 -3.324 1.00 0.00 N ATOM 685 CA GLN A 48 6.126 -12.992 -2.390 1.00 0.00 C ATOM 686 C GLN A 48 7.098 -11.810 -2.347 1.00 0.00 C ATOM 687 O GLN A 48 8.233 -11.918 -2.808 1.00 0.00 O ATOM 688 CB GLN A 48 5.925 -13.588 -0.995 1.00 0.00 C ATOM 689 CG GLN A 48 4.612 -14.368 -0.918 1.00 0.00 C ATOM 690 CD GLN A 48 4.312 -14.796 0.521 1.00 0.00 C ATOM 691 OE1 GLN A 48 4.884 -14.296 1.476 1.00 0.00 O ATOM 692 NE2 GLN A 48 3.388 -15.747 0.621 1.00 0.00 N ATOM 0 H GLN A 48 7.557 -14.312 -3.165 1.00 0.00 H new ATOM 0 HA GLN A 48 5.158 -12.629 -2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.759 -14.247 -0.753 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.923 -12.791 -0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.796 -13.752 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.670 -15.248 -1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.949 -16.122 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.119 -16.102 1.539 1.00 0.00 H new ATOM 701 N CYS A 49 6.617 -10.710 -1.787 1.00 0.00 N ATOM 702 CA CYS A 49 7.429 -9.510 -1.677 1.00 0.00 C ATOM 703 C CYS A 49 6.990 -8.746 -0.427 1.00 0.00 C ATOM 704 O CYS A 49 5.823 -8.800 -0.039 1.00 0.00 O ATOM 705 CB CYS A 49 7.335 -8.646 -2.936 1.00 0.00 C ATOM 706 SG CYS A 49 8.972 -7.924 -3.323 1.00 0.00 S ATOM 0 H CYS A 49 5.675 -10.624 -1.405 1.00 0.00 H new ATOM 0 HA CYS A 49 8.479 -9.786 -1.583 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.986 -9.248 -3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.604 -7.851 -2.788 1.00 0.00 H new ATOM 0 HG CYS A 49 8.882 -7.194 -4.395 1.00 0.00 H new ATOM 712 N LEU A 50 7.947 -8.051 0.171 1.00 0.00 N ATOM 713 CA LEU A 50 7.674 -7.277 1.369 1.00 0.00 C ATOM 714 C LEU A 50 7.176 -5.886 0.970 1.00 0.00 C ATOM 715 O LEU A 50 7.810 -5.201 0.169 1.00 0.00 O ATOM 716 CB LEU A 50 8.901 -7.251 2.282 1.00 0.00 C ATOM 717 CG LEU A 50 8.787 -6.382 3.536 1.00 0.00 C ATOM 718 CD1 LEU A 50 7.693 -6.907 4.469 1.00 0.00 C ATOM 719 CD2 LEU A 50 10.136 -6.263 4.247 1.00 0.00 C ATOM 0 H LEU A 50 8.913 -8.008 -0.153 1.00 0.00 H new ATOM 0 HA LEU A 50 6.881 -7.746 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.121 -8.273 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.755 -6.904 1.700 1.00 0.00 H new ATOM 0 HG LEU A 50 8.496 -5.378 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.633 -6.272 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.735 -6.897 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.931 -7.927 4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.026 -5.640 5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.482 -7.254 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.863 -5.810 3.574 1.00 0.00 H new ATOM 731 N VAL A 51 6.044 -5.511 1.547 1.00 0.00 N ATOM 732 CA VAL A 51 5.453 -4.214 1.261 1.00 0.00 C ATOM 733 C VAL A 51 5.203 -3.471 2.575 1.00 0.00 C ATOM 734 O VAL A 51 5.397 -4.030 3.654 1.00 0.00 O ATOM 735 CB VAL A 51 4.184 -4.390 0.423 1.00 0.00 C ATOM 736 CG1 VAL A 51 4.451 -5.278 -0.794 1.00 0.00 C ATOM 737 CG2 VAL A 51 3.041 -4.950 1.271 1.00 0.00 C ATOM 0 H VAL A 51 5.520 -6.082 2.211 1.00 0.00 H new ATOM 0 HA VAL A 51 6.136 -3.606 0.668 1.00 0.00 H new ATOM 0 HB VAL A 51 3.881 -3.407 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.534 -5.387 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.220 -4.821 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.789 -6.259 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.151 -5.065 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.330 -5.920 1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.826 -4.264 2.091 1.00 0.00 H new ATOM 747 N ARG A 52 4.776 -2.224 2.441 1.00 0.00 N ATOM 748 CA ARG A 52 4.498 -1.400 3.605 1.00 0.00 C ATOM 749 C ARG A 52 3.143 -0.705 3.451 1.00 0.00 C ATOM 750 O ARG A 52 3.022 0.270 2.711 1.00 0.00 O ATOM 751 CB ARG A 52 5.586 -0.343 3.803 1.00 0.00 C ATOM 752 CG ARG A 52 5.488 0.289 5.194 1.00 0.00 C ATOM 753 CD ARG A 52 6.706 -0.074 6.047 1.00 0.00 C ATOM 754 NE ARG A 52 7.911 0.608 5.524 1.00 0.00 N ATOM 755 CZ ARG A 52 9.000 0.877 6.258 1.00 0.00 C ATOM 756 NH1 ARG A 52 9.041 0.523 7.550 1.00 0.00 N ATOM 757 NH2 ARG A 52 10.047 1.500 5.701 1.00 0.00 N ATOM 0 H ARG A 52 4.616 -1.764 1.545 1.00 0.00 H new ATOM 0 HA ARG A 52 4.478 -2.053 4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.568 -0.798 3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.491 0.430 3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.414 1.373 5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.578 -0.051 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.534 0.217 7.083 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.857 -1.153 6.040 1.00 0.00 H new ATOM 0 HE ARG A 52 7.913 0.891 4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.244 0.049 7.974 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.869 0.728 8.109 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.016 1.770 4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.875 1.704 6.260 1.00 0.00 H new ATOM 771 N SER A 53 2.158 -1.235 4.162 1.00 0.00 N ATOM 772 CA SER A 53 0.817 -0.677 4.114 1.00 0.00 C ATOM 773 C SER A 53 0.830 0.762 4.633 1.00 0.00 C ATOM 774 O SER A 53 1.471 1.057 5.640 1.00 0.00 O ATOM 775 CB SER A 53 -0.161 -1.526 4.928 1.00 0.00 C ATOM 776 OG SER A 53 -1.514 -1.300 4.543 1.00 0.00 O ATOM 0 H SER A 53 2.262 -2.044 4.774 1.00 0.00 H new ATOM 0 HA SER A 53 0.482 -0.679 3.077 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.081 -2.581 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.043 -1.299 5.988 1.00 0.00 H new ATOM 0 HG SER A 53 -1.857 -2.089 4.074 1.00 0.00 H new ATOM 782 N PHE A 54 0.113 1.620 3.922 1.00 0.00 N ATOM 783 CA PHE A 54 0.034 3.021 4.297 1.00 0.00 C ATOM 784 C PHE A 54 -1.132 3.266 5.258 1.00 0.00 C ATOM 785 O PHE A 54 -1.615 4.391 5.378 1.00 0.00 O ATOM 786 CB PHE A 54 -0.204 3.816 3.011 1.00 0.00 C ATOM 787 CG PHE A 54 1.028 3.927 2.111 1.00 0.00 C ATOM 788 CD1 PHE A 54 1.949 4.902 2.336 1.00 0.00 C ATOM 789 CD2 PHE A 54 1.202 3.051 1.085 1.00 0.00 C ATOM 790 CE1 PHE A 54 3.092 5.004 1.501 1.00 0.00 C ATOM 791 CE2 PHE A 54 2.345 3.154 0.250 1.00 0.00 C ATOM 792 CZ PHE A 54 3.266 4.128 0.475 1.00 0.00 C ATOM 0 H PHE A 54 -0.419 1.371 3.088 1.00 0.00 H new ATOM 0 HA PHE A 54 0.953 3.325 4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.011 3.345 2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.541 4.819 3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.811 5.598 3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.470 2.277 0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.824 5.778 1.680 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.483 2.458 -0.564 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.136 4.206 -0.161 1.00 0.00 H new ATOM 802 N ILE A 55 -1.549 2.195 5.916 1.00 0.00 N ATOM 803 CA ILE A 55 -2.649 2.279 6.862 1.00 0.00 C ATOM 804 C ILE A 55 -2.089 2.334 8.285 1.00 0.00 C ATOM 805 O ILE A 55 -2.270 3.326 8.989 1.00 0.00 O ATOM 806 CB ILE A 55 -3.639 1.136 6.635 1.00 0.00 C ATOM 807 CG1 ILE A 55 -4.341 1.278 5.283 1.00 0.00 C ATOM 808 CG2 ILE A 55 -4.637 1.037 7.791 1.00 0.00 C ATOM 809 CD1 ILE A 55 -5.009 -0.035 4.870 1.00 0.00 C ATOM 0 H ILE A 55 -1.145 1.264 5.813 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.216 3.197 6.706 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.080 0.201 6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.089 2.069 5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.618 1.577 4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.330 0.216 7.604 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.099 0.854 8.721 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.194 1.970 7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.500 0.094 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.255 -0.818 4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.749 -0.318 5.619 1.00 0.00 H new ATOM 821 N ASP A 56 -1.420 1.255 8.665 1.00 0.00 N ATOM 822 CA ASP A 56 -0.833 1.168 9.991 1.00 0.00 C ATOM 823 C ASP A 56 0.674 1.408 9.893 1.00 0.00 C ATOM 824 O ASP A 56 1.319 1.744 10.885 1.00 0.00 O ATOM 825 CB ASP A 56 -1.053 -0.218 10.601 1.00 0.00 C ATOM 826 CG ASP A 56 -0.699 -0.335 12.085 1.00 0.00 C ATOM 827 OD1 ASP A 56 -0.160 0.658 12.621 1.00 0.00 O ATOM 828 OD2 ASP A 56 -0.976 -1.414 12.651 1.00 0.00 O ATOM 0 H ASP A 56 -1.272 0.434 8.078 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.310 1.919 10.621 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.099 -0.494 10.470 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.460 -0.942 10.043 1.00 0.00 H new ATOM 833 N SER A 57 1.194 1.224 8.688 1.00 0.00 N ATOM 834 CA SER A 57 2.614 1.416 8.448 1.00 0.00 C ATOM 835 C SER A 57 3.397 0.198 8.940 1.00 0.00 C ATOM 836 O SER A 57 4.475 0.340 9.514 1.00 0.00 O ATOM 837 CB SER A 57 3.122 2.687 9.133 1.00 0.00 C ATOM 838 OG SER A 57 3.577 2.432 10.459 1.00 0.00 O ATOM 0 H SER A 57 0.657 0.944 7.867 1.00 0.00 H new ATOM 0 HA SER A 57 2.767 1.529 7.375 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.935 3.115 8.547 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.324 3.429 9.160 1.00 0.00 H new ATOM 0 HG SER A 57 2.884 1.948 10.955 1.00 0.00 H new ATOM 844 N LYS A 58 2.825 -0.972 8.696 1.00 0.00 N ATOM 845 CA LYS A 58 3.456 -2.214 9.107 1.00 0.00 C ATOM 846 C LYS A 58 4.031 -2.921 7.878 1.00 0.00 C ATOM 847 O LYS A 58 3.908 -2.425 6.758 1.00 0.00 O ATOM 848 CB LYS A 58 2.476 -3.074 9.908 1.00 0.00 C ATOM 849 CG LYS A 58 2.419 -2.622 11.369 1.00 0.00 C ATOM 850 CD LYS A 58 2.677 -3.796 12.316 1.00 0.00 C ATOM 851 CE LYS A 58 3.194 -3.304 13.670 1.00 0.00 C ATOM 852 NZ LYS A 58 3.808 -4.419 14.426 1.00 0.00 N ATOM 0 H LYS A 58 1.931 -1.086 8.219 1.00 0.00 H new ATOM 0 HA LYS A 58 4.290 -2.012 9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.483 -3.009 9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.779 -4.120 9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.160 -1.841 11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.442 -2.187 11.581 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.757 -4.363 12.458 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.404 -4.475 11.870 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.927 -2.511 13.520 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.374 -2.875 14.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.154 -4.068 15.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.099 -5.163 14.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.604 -4.810 13.883 1.00 0.00 H new ATOM 866 N PHE A 59 4.645 -4.067 8.127 1.00 0.00 N ATOM 867 CA PHE A 59 5.238 -4.847 7.054 1.00 0.00 C ATOM 868 C PHE A 59 4.390 -6.079 6.737 1.00 0.00 C ATOM 869 O PHE A 59 3.919 -6.764 7.644 1.00 0.00 O ATOM 870 CB PHE A 59 6.615 -5.304 7.541 1.00 0.00 C ATOM 871 CG PHE A 59 7.666 -4.191 7.568 1.00 0.00 C ATOM 872 CD1 PHE A 59 7.752 -3.364 8.644 1.00 0.00 C ATOM 873 CD2 PHE A 59 8.514 -4.031 6.517 1.00 0.00 C ATOM 874 CE1 PHE A 59 8.727 -2.331 8.669 1.00 0.00 C ATOM 875 CE2 PHE A 59 9.488 -3.000 6.542 1.00 0.00 C ATOM 876 CZ PHE A 59 9.575 -2.171 7.618 1.00 0.00 C ATOM 0 H PHE A 59 4.745 -4.475 9.056 1.00 0.00 H new ATOM 0 HA PHE A 59 5.305 -4.242 6.149 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.515 -5.720 8.544 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.969 -6.108 6.896 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.079 -3.492 9.479 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.446 -4.689 5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.795 -1.673 9.523 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.161 -2.873 5.707 1.00 0.00 H new ATOM 0 HZ PHE A 59 10.317 -1.387 7.637 1.00 0.00 H new ATOM 886 N TYR A 60 4.218 -6.324 5.445 1.00 0.00 N ATOM 887 CA TYR A 60 3.433 -7.462 4.997 1.00 0.00 C ATOM 888 C TYR A 60 4.085 -8.136 3.788 1.00 0.00 C ATOM 889 O TYR A 60 4.768 -7.480 3.001 1.00 0.00 O ATOM 890 CB TYR A 60 2.073 -6.898 4.580 1.00 0.00 C ATOM 891 CG TYR A 60 1.180 -6.495 5.755 1.00 0.00 C ATOM 892 CD1 TYR A 60 0.370 -7.434 6.360 1.00 0.00 C ATOM 893 CD2 TYR A 60 1.184 -5.192 6.211 1.00 0.00 C ATOM 894 CE1 TYR A 60 -0.470 -7.055 7.465 1.00 0.00 C ATOM 895 CE2 TYR A 60 0.344 -4.813 7.316 1.00 0.00 C ATOM 896 CZ TYR A 60 -0.443 -5.764 7.889 1.00 0.00 C ATOM 897 OH TYR A 60 -1.236 -5.405 8.934 1.00 0.00 O ATOM 0 H TYR A 60 4.609 -5.754 4.695 1.00 0.00 H new ATOM 0 HA TYR A 60 3.352 -8.208 5.788 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.232 -6.028 3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.551 -7.643 3.979 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.367 -8.454 6.004 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.818 -4.457 5.738 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.108 -7.781 7.947 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.338 -3.797 7.682 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.111 -4.452 9.127 1.00 0.00 H new ATOM 907 N SER A 61 3.853 -9.435 3.678 1.00 0.00 N ATOM 908 CA SER A 61 4.409 -10.204 2.577 1.00 0.00 C ATOM 909 C SER A 61 3.281 -10.788 1.724 1.00 0.00 C ATOM 910 O SER A 61 2.628 -11.749 2.127 1.00 0.00 O ATOM 911 CB SER A 61 5.319 -11.322 3.092 1.00 0.00 C ATOM 912 OG SER A 61 6.160 -11.840 2.064 1.00 0.00 O ATOM 0 H SER A 61 3.288 -9.975 4.333 1.00 0.00 H new ATOM 0 HA SER A 61 5.011 -9.535 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.935 -10.942 3.907 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.709 -12.127 3.502 1.00 0.00 H new ATOM 0 HG SER A 61 5.875 -12.749 1.836 1.00 0.00 H new ATOM 918 N ILE A 62 3.087 -10.183 0.562 1.00 0.00 N ATOM 919 CA ILE A 62 2.050 -10.631 -0.351 1.00 0.00 C ATOM 920 C ILE A 62 2.698 -11.176 -1.626 1.00 0.00 C ATOM 921 O ILE A 62 3.922 -11.161 -1.758 1.00 0.00 O ATOM 922 CB ILE A 62 1.040 -9.510 -0.606 1.00 0.00 C ATOM 923 CG1 ILE A 62 1.372 -8.273 0.229 1.00 0.00 C ATOM 924 CG2 ILE A 62 -0.390 -9.996 -0.368 1.00 0.00 C ATOM 925 CD1 ILE A 62 1.276 -8.579 1.725 1.00 0.00 C ATOM 0 H ILE A 62 3.631 -9.386 0.232 1.00 0.00 H new ATOM 0 HA ILE A 62 1.480 -11.448 0.092 1.00 0.00 H new ATOM 0 HB ILE A 62 1.110 -9.219 -1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.377 -7.927 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.687 -7.464 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.088 -9.180 -0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.610 -10.824 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.493 -10.331 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.517 -7.682 2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.263 -8.901 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.979 -9.372 1.980 1.00 0.00 H new ATOM 937 N ALA A 63 1.850 -11.643 -2.529 1.00 0.00 N ATOM 938 CA ALA A 63 2.326 -12.192 -3.788 1.00 0.00 C ATOM 939 C ALA A 63 2.208 -11.127 -4.880 1.00 0.00 C ATOM 940 O ALA A 63 1.197 -10.433 -4.970 1.00 0.00 O ATOM 941 CB ALA A 63 1.537 -13.459 -4.123 1.00 0.00 C ATOM 0 H ALA A 63 0.836 -11.653 -2.415 1.00 0.00 H new ATOM 0 HA ALA A 63 3.377 -12.472 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.894 -13.871 -5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.676 -14.194 -3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.478 -13.216 -4.210 1.00 0.00 H new ATOM 947 N ARG A 64 3.258 -11.031 -5.684 1.00 0.00 N ATOM 948 CA ARG A 64 3.285 -10.062 -6.766 1.00 0.00 C ATOM 949 C ARG A 64 2.086 -10.269 -7.694 1.00 0.00 C ATOM 950 O ARG A 64 1.734 -9.379 -8.466 1.00 0.00 O ATOM 951 CB ARG A 64 4.576 -10.179 -7.579 1.00 0.00 C ATOM 952 CG ARG A 64 5.805 -10.022 -6.681 1.00 0.00 C ATOM 953 CD ARG A 64 6.492 -8.676 -6.923 1.00 0.00 C ATOM 954 NE ARG A 64 7.612 -8.843 -7.874 1.00 0.00 N ATOM 955 CZ ARG A 64 8.321 -7.828 -8.387 1.00 0.00 C ATOM 956 NH1 ARG A 64 8.029 -6.566 -8.042 1.00 0.00 N ATOM 957 NH2 ARG A 64 9.321 -8.074 -9.243 1.00 0.00 N ATOM 0 H ARG A 64 4.095 -11.608 -5.607 1.00 0.00 H new ATOM 0 HA ARG A 64 3.238 -9.068 -6.321 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.608 -11.147 -8.080 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.590 -9.416 -8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.508 -10.100 -5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.507 -10.833 -6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.773 -7.957 -7.317 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.862 -8.272 -5.980 1.00 0.00 H new ATOM 0 HE ARG A 64 7.861 -9.791 -8.157 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.268 -6.379 -7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.568 -5.793 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.543 -9.034 -9.505 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.860 -7.301 -9.633 1.00 0.00 H new ATOM 971 N LYS A 65 1.493 -11.448 -7.587 1.00 0.00 N ATOM 972 CA LYS A 65 0.341 -11.783 -8.407 1.00 0.00 C ATOM 973 C LYS A 65 -0.910 -11.135 -7.810 1.00 0.00 C ATOM 974 O LYS A 65 -1.948 -11.061 -8.467 1.00 0.00 O ATOM 975 CB LYS A 65 0.226 -13.300 -8.576 1.00 0.00 C ATOM 976 CG LYS A 65 0.121 -13.996 -7.218 1.00 0.00 C ATOM 977 CD LYS A 65 -0.813 -15.205 -7.293 1.00 0.00 C ATOM 978 CE LYS A 65 -0.061 -16.500 -6.978 1.00 0.00 C ATOM 979 NZ LYS A 65 -0.772 -17.665 -7.551 1.00 0.00 N ATOM 0 H LYS A 65 1.788 -12.184 -6.945 1.00 0.00 H new ATOM 0 HA LYS A 65 0.460 -11.381 -9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.651 -13.537 -9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.095 -13.676 -9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.111 -14.316 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.248 -13.292 -6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.636 -15.078 -6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.252 -15.268 -8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.950 -16.448 -7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.034 -16.619 -5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.248 -18.535 -7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.728 -17.722 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.840 -17.557 -8.583 1.00 0.00 H new ATOM 993 N ASP A 66 -0.770 -10.680 -6.574 1.00 0.00 N ATOM 994 CA ASP A 66 -1.876 -10.040 -5.882 1.00 0.00 C ATOM 995 C ASP A 66 -1.707 -8.522 -5.955 1.00 0.00 C ATOM 996 O ASP A 66 -2.632 -7.775 -5.639 1.00 0.00 O ATOM 997 CB ASP A 66 -1.908 -10.442 -4.406 1.00 0.00 C ATOM 998 CG ASP A 66 -1.358 -11.838 -4.103 1.00 0.00 C ATOM 999 OD1 ASP A 66 -1.730 -12.768 -4.851 1.00 0.00 O ATOM 1000 OD2 ASP A 66 -0.579 -11.942 -3.132 1.00 0.00 O ATOM 0 H ASP A 66 0.093 -10.742 -6.033 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.802 -10.355 -6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.337 -9.711 -3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.938 -10.389 -4.053 1.00 0.00 H new ATOM 1005 N ILE A 67 -0.520 -8.110 -6.374 1.00 0.00 N ATOM 1006 CA ILE A 67 -0.217 -6.694 -6.492 1.00 0.00 C ATOM 1007 C ILE A 67 -0.430 -6.251 -7.942 1.00 0.00 C ATOM 1008 O ILE A 67 -0.170 -7.013 -8.872 1.00 0.00 O ATOM 1009 CB ILE A 67 1.185 -6.398 -5.958 1.00 0.00 C ATOM 1010 CG1 ILE A 67 1.446 -7.154 -4.653 1.00 0.00 C ATOM 1011 CG2 ILE A 67 1.406 -4.892 -5.802 1.00 0.00 C ATOM 1012 CD1 ILE A 67 2.827 -6.815 -4.090 1.00 0.00 C ATOM 0 H ILE A 67 0.244 -8.733 -6.636 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.897 -6.107 -5.875 1.00 0.00 H new ATOM 0 HB ILE A 67 1.911 -6.756 -6.688 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.679 -6.900 -3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.375 -8.227 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.411 -4.709 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.291 -4.405 -6.770 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.674 -4.487 -5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.987 -7.365 -3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.593 -7.093 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.886 -5.745 -3.892 1.00 0.00 H new ATOM 1024 N LYS A 68 -0.900 -5.021 -8.088 1.00 0.00 N ATOM 1025 CA LYS A 68 -1.150 -4.468 -9.409 1.00 0.00 C ATOM 1026 C LYS A 68 -1.122 -2.939 -9.330 1.00 0.00 C ATOM 1027 O LYS A 68 -1.560 -2.358 -8.340 1.00 0.00 O ATOM 1028 CB LYS A 68 -2.449 -5.031 -9.988 1.00 0.00 C ATOM 1029 CG LYS A 68 -3.627 -4.770 -9.047 1.00 0.00 C ATOM 1030 CD LYS A 68 -4.460 -3.581 -9.527 1.00 0.00 C ATOM 1031 CE LYS A 68 -5.444 -4.005 -10.619 1.00 0.00 C ATOM 1032 NZ LYS A 68 -5.589 -2.934 -11.630 1.00 0.00 N ATOM 0 H LYS A 68 -1.114 -4.392 -7.314 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.364 -4.766 -10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.646 -4.576 -10.958 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.343 -6.103 -10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.255 -5.659 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.257 -4.576 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.006 -3.153 -8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.801 -2.802 -9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.094 -4.920 -11.097 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.414 -4.229 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.260 -3.238 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.944 -2.070 -11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.665 -2.740 -12.065 1.00 0.00 H new ATOM 1046 N GLU A 69 -0.603 -2.335 -10.388 1.00 0.00 N ATOM 1047 CA GLU A 69 -0.513 -0.886 -10.451 1.00 0.00 C ATOM 1048 C GLU A 69 -1.778 -0.250 -9.875 1.00 0.00 C ATOM 1049 O GLU A 69 -2.867 -0.809 -9.990 1.00 0.00 O ATOM 1050 CB GLU A 69 -0.267 -0.414 -11.886 1.00 0.00 C ATOM 1051 CG GLU A 69 1.191 0.005 -12.083 1.00 0.00 C ATOM 1052 CD GLU A 69 1.771 -0.610 -13.358 1.00 0.00 C ATOM 1053 OE1 GLU A 69 1.570 0.005 -14.427 1.00 0.00 O ATOM 1054 OE2 GLU A 69 2.403 -1.681 -13.235 1.00 0.00 O ATOM 0 H GLU A 69 -0.241 -2.822 -11.208 1.00 0.00 H new ATOM 0 HA GLU A 69 0.337 -0.568 -9.847 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.517 -1.214 -12.583 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.924 0.425 -12.114 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.257 1.092 -12.137 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.782 -0.308 -11.223 1.00 0.00 H new ATOM 1061 N VAL A 70 -1.593 0.912 -9.266 1.00 0.00 N ATOM 1062 CA VAL A 70 -2.707 1.632 -8.671 1.00 0.00 C ATOM 1063 C VAL A 70 -2.461 3.137 -8.791 1.00 0.00 C ATOM 1064 O VAL A 70 -1.316 3.587 -8.751 1.00 0.00 O ATOM 1065 CB VAL A 70 -2.913 1.174 -7.226 1.00 0.00 C ATOM 1066 CG1 VAL A 70 -1.898 1.835 -6.291 1.00 0.00 C ATOM 1067 CG2 VAL A 70 -4.345 1.448 -6.762 1.00 0.00 C ATOM 0 H VAL A 70 -0.688 1.373 -9.172 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.632 1.411 -9.204 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.750 0.097 -7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.067 1.492 -5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.888 1.567 -6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.015 2.918 -6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.464 1.113 -5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.548 2.517 -6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.044 0.909 -7.402 1.00 0.00 H new ATOM 1077 N ASP A 71 -3.552 3.874 -8.937 1.00 0.00 N ATOM 1078 CA ASP A 71 -3.467 5.318 -9.064 1.00 0.00 C ATOM 1079 C ASP A 71 -4.083 5.972 -7.825 1.00 0.00 C ATOM 1080 O ASP A 71 -5.266 6.309 -7.820 1.00 0.00 O ATOM 1081 CB ASP A 71 -4.240 5.809 -10.290 1.00 0.00 C ATOM 1082 CG ASP A 71 -4.758 4.705 -11.213 1.00 0.00 C ATOM 1083 OD1 ASP A 71 -5.667 3.973 -10.766 1.00 0.00 O ATOM 1084 OD2 ASP A 71 -4.234 4.617 -12.344 1.00 0.00 O ATOM 0 H ASP A 71 -4.500 3.498 -8.970 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.416 5.586 -9.168 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.087 6.406 -9.952 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.594 6.471 -10.867 1.00 0.00 H new ATOM 1089 N ILE A 72 -3.253 6.130 -6.804 1.00 0.00 N ATOM 1090 CA ILE A 72 -3.701 6.736 -5.562 1.00 0.00 C ATOM 1091 C ILE A 72 -3.774 8.255 -5.738 1.00 0.00 C ATOM 1092 O ILE A 72 -4.716 8.893 -5.271 1.00 0.00 O ATOM 1093 CB ILE A 72 -2.813 6.294 -4.398 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -2.676 4.770 -4.362 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -3.327 6.855 -3.072 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -3.977 4.092 -4.793 1.00 0.00 C ATOM 0 H ILE A 72 -2.273 5.849 -6.812 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.706 6.394 -5.313 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.815 6.704 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.864 4.459 -5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.411 4.449 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.677 6.525 -2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.330 7.944 -3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.341 6.496 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.852 3.010 -4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.781 4.386 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.226 4.396 -5.810 1.00 0.00 H new ATOM 1108 N LEU A 73 -2.767 8.789 -6.413 1.00 0.00 N ATOM 1109 CA LEU A 73 -2.705 10.220 -6.656 1.00 0.00 C ATOM 1110 C LEU A 73 -3.773 10.605 -7.683 1.00 0.00 C ATOM 1111 O LEU A 73 -3.985 11.788 -7.948 1.00 0.00 O ATOM 1112 CB LEU A 73 -1.288 10.634 -7.059 1.00 0.00 C ATOM 1113 CG LEU A 73 -0.554 11.552 -6.080 1.00 0.00 C ATOM 1114 CD1 LEU A 73 0.639 12.233 -6.755 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -1.513 12.567 -5.455 1.00 0.00 C ATOM 0 H LEU A 73 -1.987 8.256 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.926 10.772 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.692 9.732 -7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.338 11.133 -8.027 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.160 10.939 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.143 12.880 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.336 11.475 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.289 12.830 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.965 13.207 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.958 13.178 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.300 12.040 -4.916 1.00 0.00 H new ATOM 1127 N ASN A 74 -4.416 9.586 -8.231 1.00 0.00 N ATOM 1128 CA ASN A 74 -5.457 9.803 -9.222 1.00 0.00 C ATOM 1129 C ASN A 74 -6.826 9.607 -8.567 1.00 0.00 C ATOM 1130 O ASN A 74 -7.856 9.730 -9.229 1.00 0.00 O ATOM 1131 CB ASN A 74 -5.337 8.804 -10.375 1.00 0.00 C ATOM 1132 CG ASN A 74 -5.386 9.519 -11.726 1.00 0.00 C ATOM 1133 OD1 ASN A 74 -6.339 10.202 -12.062 1.00 0.00 O ATOM 1134 ND2 ASN A 74 -4.308 9.325 -12.481 1.00 0.00 N ATOM 0 H ASN A 74 -4.237 8.607 -8.008 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.348 10.816 -9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.402 8.251 -10.286 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.145 8.075 -10.315 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.245 9.760 -13.401 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.545 8.741 -12.140 1.00 0.00 H new ATOM 1141 N LEU A 75 -6.793 9.307 -7.278 1.00 0.00 N ATOM 1142 CA LEU A 75 -8.019 9.092 -6.527 1.00 0.00 C ATOM 1143 C LEU A 75 -8.614 10.446 -6.135 1.00 0.00 C ATOM 1144 O LEU A 75 -7.894 11.436 -6.022 1.00 0.00 O ATOM 1145 CB LEU A 75 -7.764 8.165 -5.337 1.00 0.00 C ATOM 1146 CG LEU A 75 -7.693 6.671 -5.656 1.00 0.00 C ATOM 1147 CD1 LEU A 75 -7.187 5.877 -4.450 1.00 0.00 C ATOM 1148 CD2 LEU A 75 -9.043 6.152 -6.157 1.00 0.00 C ATOM 0 H LEU A 75 -5.936 9.207 -6.733 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.760 8.583 -7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.827 8.461 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.554 8.323 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.973 6.528 -6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.146 4.818 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.190 6.224 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.864 6.023 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.965 5.087 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.801 6.310 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.326 6.689 -7.062 1.00 0.00 H new ATOM 1160 N PRO A 76 -9.959 10.446 -5.934 1.00 0.00 N ATOM 1161 CA PRO A 76 -10.660 11.662 -5.559 1.00 0.00 C ATOM 1162 C PRO A 76 -10.406 12.009 -4.089 1.00 0.00 C ATOM 1163 O PRO A 76 -10.278 11.119 -3.251 1.00 0.00 O ATOM 1164 CB PRO A 76 -12.124 11.381 -5.858 1.00 0.00 C ATOM 1165 CG PRO A 76 -12.247 9.869 -5.950 1.00 0.00 C ATOM 1166 CD PRO A 76 -10.845 9.292 -6.060 1.00 0.00 C ATOM 0 HA PRO A 76 -10.315 12.535 -6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.766 11.778 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.430 11.855 -6.790 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.754 9.473 -5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.845 9.587 -6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.655 8.560 -5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.700 8.783 -7.013 1.00 0.00 H new ATOM 1174 N GLU A 77 -10.340 13.306 -3.824 1.00 0.00 N ATOM 1175 CA GLU A 77 -10.102 13.781 -2.472 1.00 0.00 C ATOM 1176 C GLU A 77 -11.102 13.146 -1.504 1.00 0.00 C ATOM 1177 O GLU A 77 -10.864 13.106 -0.298 1.00 0.00 O ATOM 1178 CB GLU A 77 -10.170 15.308 -2.408 1.00 0.00 C ATOM 1179 CG GLU A 77 -8.768 15.917 -2.330 1.00 0.00 C ATOM 1180 CD GLU A 77 -8.446 16.369 -0.904 1.00 0.00 C ATOM 1181 OE1 GLU A 77 -7.943 15.518 -0.138 1.00 0.00 O ATOM 1182 OE2 GLU A 77 -8.710 17.556 -0.612 1.00 0.00 O ATOM 0 H GLU A 77 -10.447 14.042 -4.522 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.097 13.482 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.688 15.690 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.752 15.613 -1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.031 15.185 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.698 16.767 -3.009 1.00 0.00 H new ATOM 1189 N SER A 78 -12.201 12.667 -2.067 1.00 0.00 N ATOM 1190 CA SER A 78 -13.238 12.037 -1.269 1.00 0.00 C ATOM 1191 C SER A 78 -12.703 10.750 -0.637 1.00 0.00 C ATOM 1192 O SER A 78 -12.875 10.524 0.559 1.00 0.00 O ATOM 1193 CB SER A 78 -14.478 11.737 -2.113 1.00 0.00 C ATOM 1194 OG SER A 78 -15.611 12.488 -1.684 1.00 0.00 O ATOM 0 H SER A 78 -12.396 12.703 -3.068 1.00 0.00 H new ATOM 0 HA SER A 78 -13.528 12.730 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.268 11.963 -3.158 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.706 10.673 -2.056 1.00 0.00 H new ATOM 0 HG SER A 78 -16.381 12.269 -2.249 1.00 0.00 H new ATOM 1200 N GLU A 79 -12.067 9.940 -1.470 1.00 0.00 N ATOM 1201 CA GLU A 79 -11.505 8.683 -1.008 1.00 0.00 C ATOM 1202 C GLU A 79 -10.334 8.940 -0.058 1.00 0.00 C ATOM 1203 O GLU A 79 -10.245 8.326 1.004 1.00 0.00 O ATOM 1204 CB GLU A 79 -11.071 7.809 -2.187 1.00 0.00 C ATOM 1205 CG GLU A 79 -12.283 7.328 -2.988 1.00 0.00 C ATOM 1206 CD GLU A 79 -13.368 6.775 -2.061 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -13.009 5.938 -1.205 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -14.530 7.201 -2.231 1.00 0.00 O ATOM 0 H GLU A 79 -11.928 10.130 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.278 8.143 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.402 8.374 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.509 6.950 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.687 8.153 -3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.974 6.557 -3.693 1.00 0.00 H new ATOM 1215 N LEU A 80 -9.465 9.851 -0.474 1.00 0.00 N ATOM 1216 CA LEU A 80 -8.304 10.198 0.328 1.00 0.00 C ATOM 1217 C LEU A 80 -8.766 10.832 1.640 1.00 0.00 C ATOM 1218 O LEU A 80 -8.395 10.375 2.720 1.00 0.00 O ATOM 1219 CB LEU A 80 -7.343 11.077 -0.476 1.00 0.00 C ATOM 1220 CG LEU A 80 -6.999 10.583 -1.882 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -6.065 11.564 -2.594 1.00 0.00 C ATOM 1222 CD2 LEU A 80 -6.419 9.168 -1.840 1.00 0.00 C ATOM 0 H LEU A 80 -9.542 10.359 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.739 9.303 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.777 12.074 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.416 11.178 0.089 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.920 10.536 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.836 11.189 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.551 12.536 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.142 11.666 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.183 8.841 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.511 9.165 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.149 8.488 -1.400 1.00 0.00 H new ATOM 1234 N SER A 81 -9.571 11.876 1.505 1.00 0.00 N ATOM 1235 CA SER A 81 -10.088 12.579 2.667 1.00 0.00 C ATOM 1236 C SER A 81 -10.648 11.576 3.678 1.00 0.00 C ATOM 1237 O SER A 81 -10.735 11.871 4.869 1.00 0.00 O ATOM 1238 CB SER A 81 -11.167 13.587 2.266 1.00 0.00 C ATOM 1239 OG SER A 81 -11.709 14.265 3.395 1.00 0.00 O ATOM 0 H SER A 81 -9.878 12.252 0.608 1.00 0.00 H new ATOM 0 HA SER A 81 -9.268 13.130 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.744 14.315 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.967 13.070 1.735 1.00 0.00 H new ATOM 0 HG SER A 81 -12.393 14.901 3.098 1.00 0.00 H new ATOM 1245 N THR A 82 -11.015 10.410 3.166 1.00 0.00 N ATOM 1246 CA THR A 82 -11.565 9.363 4.009 1.00 0.00 C ATOM 1247 C THR A 82 -10.537 8.248 4.212 1.00 0.00 C ATOM 1248 O THR A 82 -9.799 8.251 5.197 1.00 0.00 O ATOM 1249 CB THR A 82 -12.868 8.877 3.371 1.00 0.00 C ATOM 1250 OG1 THR A 82 -12.467 8.377 2.098 1.00 0.00 O ATOM 1251 CG2 THR A 82 -13.820 10.028 3.037 1.00 0.00 C ATOM 0 H THR A 82 -10.942 10.168 2.178 1.00 0.00 H new ATOM 0 HA THR A 82 -11.794 9.738 5.006 1.00 0.00 H new ATOM 0 HB THR A 82 -13.364 8.179 4.045 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.702 9.026 1.403 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.729 9.629 2.587 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.074 10.567 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.336 10.709 2.336 1.00 0.00 H new ATOM 1259 N LYS A 83 -10.521 7.321 3.266 1.00 0.00 N ATOM 1260 CA LYS A 83 -9.594 6.203 3.329 1.00 0.00 C ATOM 1261 C LYS A 83 -8.241 6.696 3.847 1.00 0.00 C ATOM 1262 O LYS A 83 -7.635 7.589 3.258 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.515 5.496 1.975 1.00 0.00 C ATOM 1264 CG LYS A 83 -10.354 4.216 1.974 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.848 4.540 1.974 1.00 0.00 C ATOM 1266 CE LYS A 83 -12.591 3.703 3.017 1.00 0.00 C ATOM 1267 NZ LYS A 83 -13.697 4.483 3.617 1.00 0.00 N ATOM 0 H LYS A 83 -11.135 7.321 2.451 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.950 5.452 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.866 6.166 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.477 5.255 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.108 3.617 1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.109 3.615 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.994 5.600 2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.265 4.349 0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.986 2.799 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.899 3.384 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.190 3.900 4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.313 5.332 4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.366 4.766 2.873 1.00 0.00 H new ATOM 1281 N PRO A 84 -7.796 6.075 4.972 1.00 0.00 N ATOM 1282 CA PRO A 84 -6.525 6.441 5.576 1.00 0.00 C ATOM 1283 C PRO A 84 -5.353 5.886 4.764 1.00 0.00 C ATOM 1284 O PRO A 84 -4.443 6.626 4.395 1.00 0.00 O ATOM 1285 CB PRO A 84 -6.587 5.883 6.988 1.00 0.00 C ATOM 1286 CG PRO A 84 -7.684 4.833 6.975 1.00 0.00 C ATOM 1287 CD PRO A 84 -8.487 5.013 5.697 1.00 0.00 C ATOM 0 HA PRO A 84 -6.362 7.519 5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.631 5.445 7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.808 6.670 7.709 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.255 3.832 7.018 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.327 4.942 7.848 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.518 4.092 5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.519 5.288 5.913 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.413 4.587 4.509 1.00 0.00 N ATOM 1296 CA GLY A 85 -4.369 3.924 3.747 1.00 0.00 C ATOM 1297 C GLY A 85 -4.051 4.696 2.464 1.00 0.00 C ATOM 1298 O GLY A 85 -2.897 5.039 2.212 1.00 0.00 O ATOM 0 H GLY A 85 -6.169 3.976 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.469 3.837 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.684 2.911 3.497 1.00 0.00 H new ATOM 1302 N LEU A 86 -5.095 4.947 1.690 1.00 0.00 N ATOM 1303 CA LEU A 86 -4.943 5.672 0.440 1.00 0.00 C ATOM 1304 C LEU A 86 -4.284 7.025 0.717 1.00 0.00 C ATOM 1305 O LEU A 86 -3.237 7.337 0.151 1.00 0.00 O ATOM 1306 CB LEU A 86 -6.286 5.779 -0.285 1.00 0.00 C ATOM 1307 CG LEU A 86 -7.006 4.458 -0.561 1.00 0.00 C ATOM 1308 CD1 LEU A 86 -8.409 4.705 -1.120 1.00 0.00 C ATOM 1309 CD2 LEU A 86 -6.174 3.560 -1.478 1.00 0.00 C ATOM 0 H LEU A 86 -6.051 4.661 1.904 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.284 5.129 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.946 6.413 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.124 6.287 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.124 3.930 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.899 3.750 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.993 5.277 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.336 5.265 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.709 2.628 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.002 4.068 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.217 3.343 -1.004 1.00 0.00 H new ATOM 1321 N GLN A 87 -4.924 7.791 1.588 1.00 0.00 N ATOM 1322 CA GLN A 87 -4.413 9.104 1.946 1.00 0.00 C ATOM 1323 C GLN A 87 -2.884 9.085 1.988 1.00 0.00 C ATOM 1324 O GLN A 87 -2.229 9.617 1.092 1.00 0.00 O ATOM 1325 CB GLN A 87 -4.991 9.570 3.285 1.00 0.00 C ATOM 1326 CG GLN A 87 -4.576 11.010 3.590 1.00 0.00 C ATOM 1327 CD GLN A 87 -5.800 11.910 3.761 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -6.419 11.968 4.811 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -6.115 12.609 2.674 1.00 0.00 N ATOM 0 H GLN A 87 -5.791 7.528 2.056 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.728 9.816 1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.078 9.499 3.260 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.646 8.912 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.973 11.034 4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.951 11.391 2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.555 12.514 1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.916 13.240 2.688 1.00 0.00 H new ATOM 1338 N LYS A 88 -2.358 8.467 3.036 1.00 0.00 N ATOM 1339 CA LYS A 88 -0.919 8.372 3.205 1.00 0.00 C ATOM 1340 C LYS A 88 -0.276 7.997 1.867 1.00 0.00 C ATOM 1341 O LYS A 88 0.523 8.757 1.324 1.00 0.00 O ATOM 1342 CB LYS A 88 -0.575 7.411 4.343 1.00 0.00 C ATOM 1343 CG LYS A 88 -0.183 8.177 5.608 1.00 0.00 C ATOM 1344 CD LYS A 88 1.256 8.688 5.515 1.00 0.00 C ATOM 1345 CE LYS A 88 1.288 10.209 5.347 1.00 0.00 C ATOM 1346 NZ LYS A 88 2.569 10.759 5.847 1.00 0.00 N ATOM 0 H LYS A 88 -2.904 8.027 3.777 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.506 9.337 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.431 6.769 4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.245 6.760 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.862 9.017 5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.287 7.528 6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.805 8.406 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.760 8.215 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.160 10.467 4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.456 10.658 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.574 11.792 5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.676 10.528 6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.358 10.344 5.311 1.00 0.00 H new ATOM 1360 N ALA A 89 -0.651 6.825 1.376 1.00 0.00 N ATOM 1361 CA ALA A 89 -0.121 6.339 0.113 1.00 0.00 C ATOM 1362 C ALA A 89 -0.031 7.501 -0.878 1.00 0.00 C ATOM 1363 O ALA A 89 1.006 7.706 -1.507 1.00 0.00 O ATOM 1364 CB ALA A 89 -1.000 5.198 -0.404 1.00 0.00 C ATOM 0 H ALA A 89 -1.315 6.198 1.830 1.00 0.00 H new ATOM 0 HA ALA A 89 0.885 5.941 0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.603 4.833 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.007 4.386 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.017 5.561 -0.553 1.00 0.00 H new ATOM 1370 N SER A 90 -1.132 8.231 -0.987 1.00 0.00 N ATOM 1371 CA SER A 90 -1.190 9.366 -1.890 1.00 0.00 C ATOM 1372 C SER A 90 -0.168 10.424 -1.468 1.00 0.00 C ATOM 1373 O SER A 90 0.597 10.919 -2.296 1.00 0.00 O ATOM 1374 CB SER A 90 -2.595 9.972 -1.926 1.00 0.00 C ATOM 1375 OG SER A 90 -3.584 9.051 -1.472 1.00 0.00 O ATOM 0 H SER A 90 -1.991 8.058 -0.464 1.00 0.00 H new ATOM 0 HA SER A 90 -0.949 9.016 -2.894 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.620 10.867 -1.304 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.830 10.284 -2.944 1.00 0.00 H new ATOM 0 HG SER A 90 -3.519 8.954 -0.499 1.00 0.00 H new ATOM 1381 N ILE A 91 -0.188 10.740 -0.182 1.00 0.00 N ATOM 1382 CA ILE A 91 0.728 11.730 0.360 1.00 0.00 C ATOM 1383 C ILE A 91 2.147 11.424 -0.125 1.00 0.00 C ATOM 1384 O ILE A 91 2.861 12.322 -0.570 1.00 0.00 O ATOM 1385 CB ILE A 91 0.600 11.801 1.883 1.00 0.00 C ATOM 1386 CG1 ILE A 91 -0.757 12.377 2.293 1.00 0.00 C ATOM 1387 CG2 ILE A 91 1.764 12.584 2.495 1.00 0.00 C ATOM 1388 CD1 ILE A 91 -0.769 12.750 3.776 1.00 0.00 C ATOM 0 H ILE A 91 -0.824 10.328 0.501 1.00 0.00 H new ATOM 0 HA ILE A 91 0.474 12.725 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 91 0.651 10.786 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.979 13.258 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.541 11.648 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.649 12.620 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.704 12.092 2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.769 13.599 2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.745 13.157 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.571 11.862 4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.000 13.498 3.969 1.00 0.00 H new ATOM 1400 N PHE A 92 2.513 10.155 -0.020 1.00 0.00 N ATOM 1401 CA PHE A 92 3.834 9.721 -0.442 1.00 0.00 C ATOM 1402 C PHE A 92 3.979 9.804 -1.963 1.00 0.00 C ATOM 1403 O PHE A 92 5.089 9.737 -2.488 1.00 0.00 O ATOM 1404 CB PHE A 92 3.985 8.262 -0.006 1.00 0.00 C ATOM 1405 CG PHE A 92 5.275 7.598 -0.492 1.00 0.00 C ATOM 1406 CD1 PHE A 92 6.463 7.910 0.093 1.00 0.00 C ATOM 1407 CD2 PHE A 92 5.234 6.696 -1.509 1.00 0.00 C ATOM 1408 CE1 PHE A 92 7.659 7.294 -0.358 1.00 0.00 C ATOM 1409 CE2 PHE A 92 6.431 6.079 -1.960 1.00 0.00 C ATOM 1410 CZ PHE A 92 7.619 6.392 -1.375 1.00 0.00 C ATOM 0 H PHE A 92 1.918 9.414 0.351 1.00 0.00 H new ATOM 0 HA PHE A 92 4.596 10.360 0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.951 8.213 1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.133 7.692 -0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.496 8.626 0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.291 6.449 -1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.602 7.542 0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.398 5.362 -2.767 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.530 5.924 -1.718 1.00 0.00 H new ATOM 1420 N LEU A 93 2.842 9.951 -2.626 1.00 0.00 N ATOM 1421 CA LEU A 93 2.829 10.043 -4.076 1.00 0.00 C ATOM 1422 C LEU A 93 2.920 11.513 -4.489 1.00 0.00 C ATOM 1423 O LEU A 93 3.107 11.822 -5.665 1.00 0.00 O ATOM 1424 CB LEU A 93 1.609 9.318 -4.648 1.00 0.00 C ATOM 1425 CG LEU A 93 1.666 7.790 -4.628 1.00 0.00 C ATOM 1426 CD1 LEU A 93 0.800 7.194 -5.739 1.00 0.00 C ATOM 1427 CD2 LEU A 93 3.112 7.294 -4.702 1.00 0.00 C ATOM 0 H LEU A 93 1.923 10.009 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 93 3.698 9.538 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.728 9.636 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.469 9.643 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 93 1.255 7.446 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.859 6.106 -5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.235 7.507 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.158 7.544 -6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.124 6.204 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.572 7.649 -5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.672 7.676 -3.848 1.00 0.00 H new ATOM 1439 N LYS A 94 2.783 12.383 -3.499 1.00 0.00 N ATOM 1440 CA LYS A 94 2.847 13.814 -3.745 1.00 0.00 C ATOM 1441 C LYS A 94 4.068 14.395 -3.028 1.00 0.00 C ATOM 1442 O LYS A 94 4.783 15.226 -3.587 1.00 0.00 O ATOM 1443 CB LYS A 94 1.528 14.484 -3.356 1.00 0.00 C ATOM 1444 CG LYS A 94 0.622 13.512 -2.596 1.00 0.00 C ATOM 1445 CD LYS A 94 -0.531 14.255 -1.919 1.00 0.00 C ATOM 1446 CE LYS A 94 -1.312 15.095 -2.931 1.00 0.00 C ATOM 1447 NZ LYS A 94 -2.267 15.989 -2.237 1.00 0.00 N ATOM 0 H LYS A 94 2.628 12.124 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 94 2.976 14.013 -4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.729 15.359 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.018 14.838 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.225 12.766 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.205 12.976 -1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.200 13.538 -1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.140 14.899 -1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.621 15.687 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.850 14.441 -3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.789 16.552 -2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.937 15.418 -1.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.747 16.626 -1.600 1.00 0.00 H new ATOM 1461 N THR A 95 4.268 13.936 -1.801 1.00 0.00 N ATOM 1462 CA THR A 95 5.388 14.401 -1.002 1.00 0.00 C ATOM 1463 C THR A 95 6.650 13.601 -1.337 1.00 0.00 C ATOM 1464 O THR A 95 7.749 14.151 -1.363 1.00 0.00 O ATOM 1465 CB THR A 95 4.988 14.314 0.471 1.00 0.00 C ATOM 1466 OG1 THR A 95 4.859 12.916 0.714 1.00 0.00 O ATOM 1467 CG2 THR A 95 3.585 14.867 0.730 1.00 0.00 C ATOM 0 H THR A 95 3.673 13.247 -1.341 1.00 0.00 H new ATOM 0 HA THR A 95 5.629 15.440 -1.227 1.00 0.00 H new ATOM 0 HB THR A 95 5.712 14.860 1.076 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.424 12.489 -0.054 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.350 14.782 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.546 15.915 0.433 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.857 14.299 0.151 1.00 0.00 H new ATOM 1475 N ARG A 96 6.448 12.316 -1.584 1.00 0.00 N ATOM 1476 CA ARG A 96 7.555 11.434 -1.916 1.00 0.00 C ATOM 1477 C ARG A 96 8.527 11.337 -0.739 1.00 0.00 C ATOM 1478 O ARG A 96 9.740 11.277 -0.935 1.00 0.00 O ATOM 1479 CB ARG A 96 8.306 11.935 -3.151 1.00 0.00 C ATOM 1480 CG ARG A 96 7.347 12.174 -4.318 1.00 0.00 C ATOM 1481 CD ARG A 96 6.884 10.849 -4.926 1.00 0.00 C ATOM 1482 NE ARG A 96 5.976 11.105 -6.067 1.00 0.00 N ATOM 1483 CZ ARG A 96 5.584 10.168 -6.941 1.00 0.00 C ATOM 1484 NH1 ARG A 96 6.017 8.906 -6.809 1.00 0.00 N ATOM 1485 NH2 ARG A 96 4.759 10.492 -7.945 1.00 0.00 N ATOM 0 H ARG A 96 5.534 11.863 -1.561 1.00 0.00 H new ATOM 0 HA ARG A 96 7.142 10.449 -2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.830 12.860 -2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.063 11.206 -3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.483 12.742 -3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.840 12.776 -5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.746 10.271 -5.259 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.373 10.252 -4.171 1.00 0.00 H new ATOM 0 HE ARG A 96 5.627 12.055 -6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.644 8.660 -6.044 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.719 8.192 -7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.429 11.452 -8.044 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.461 9.779 -8.610 1.00 0.00 H new ATOM 1499 N VAL A 97 7.959 11.325 0.458 1.00 0.00 N ATOM 1500 CA VAL A 97 8.760 11.237 1.666 1.00 0.00 C ATOM 1501 C VAL A 97 7.916 10.634 2.791 1.00 0.00 C ATOM 1502 O VAL A 97 7.090 11.322 3.388 1.00 0.00 O ATOM 1503 CB VAL A 97 9.331 12.613 2.018 1.00 0.00 C ATOM 1504 CG1 VAL A 97 8.216 13.654 2.134 1.00 0.00 C ATOM 1505 CG2 VAL A 97 10.160 12.550 3.302 1.00 0.00 C ATOM 0 H VAL A 97 6.953 11.375 0.617 1.00 0.00 H new ATOM 0 HA VAL A 97 9.613 10.576 1.510 1.00 0.00 H new ATOM 0 HB VAL A 97 9.993 12.920 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.648 14.623 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.687 13.727 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.518 13.354 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 97 10.554 13.540 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.531 12.212 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.987 11.853 3.167 1.00 0.00 H new ATOM 1515 N VAL A 98 8.151 9.356 3.045 1.00 0.00 N ATOM 1516 CA VAL A 98 7.423 8.653 4.087 1.00 0.00 C ATOM 1517 C VAL A 98 7.717 9.307 5.439 1.00 0.00 C ATOM 1518 O VAL A 98 8.684 10.056 5.573 1.00 0.00 O ATOM 1519 CB VAL A 98 7.770 7.163 4.055 1.00 0.00 C ATOM 1520 CG1 VAL A 98 6.849 6.406 3.097 1.00 0.00 C ATOM 1521 CG2 VAL A 98 9.240 6.951 3.685 1.00 0.00 C ATOM 0 H VAL A 98 8.836 8.788 2.547 1.00 0.00 H new ATOM 0 HA VAL A 98 6.349 8.726 3.917 1.00 0.00 H new ATOM 0 HB VAL A 98 7.615 6.761 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.117 5.349 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.815 6.517 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.958 6.812 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.461 5.884 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.432 7.376 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.875 7.442 4.422 1.00 0.00 H new ATOM 1531 N PRO A 99 6.844 8.991 6.432 1.00 0.00 N ATOM 1532 CA PRO A 99 7.000 9.539 7.769 1.00 0.00 C ATOM 1533 C PRO A 99 8.148 8.852 8.512 1.00 0.00 C ATOM 1534 O PRO A 99 8.437 7.682 8.270 1.00 0.00 O ATOM 1535 CB PRO A 99 5.652 9.333 8.438 1.00 0.00 C ATOM 1536 CG PRO A 99 4.939 8.268 7.622 1.00 0.00 C ATOM 1537 CD PRO A 99 5.688 8.107 6.310 1.00 0.00 C ATOM 0 HA PRO A 99 7.269 10.595 7.762 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.775 9.015 9.473 1.00 0.00 H new ATOM 0 HB3 PRO A 99 5.079 10.260 8.455 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.914 7.324 8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.904 8.557 7.438 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.995 7.073 6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.064 8.386 5.461 1.00 0.00 H new ATOM 1545 N ASP A 100 8.771 9.610 9.402 1.00 0.00 N ATOM 1546 CA ASP A 100 9.881 9.089 10.182 1.00 0.00 C ATOM 1547 C ASP A 100 9.494 7.729 10.766 1.00 0.00 C ATOM 1548 O ASP A 100 10.356 6.883 11.004 1.00 0.00 O ATOM 1549 CB ASP A 100 10.223 10.023 11.345 1.00 0.00 C ATOM 1550 CG ASP A 100 11.206 11.145 11.006 1.00 0.00 C ATOM 1551 OD1 ASP A 100 10.773 12.088 10.310 1.00 0.00 O ATOM 1552 OD2 ASP A 100 12.369 11.034 11.450 1.00 0.00 O ATOM 0 H ASP A 100 8.528 10.581 9.600 1.00 0.00 H new ATOM 0 HA ASP A 100 10.745 9.002 9.523 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.300 10.469 11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.640 9.429 12.158 1.00 0.00 H new ATOM 1557 N ASN A 101 8.198 7.560 10.981 1.00 0.00 N ATOM 1558 CA ASN A 101 7.686 6.317 11.532 1.00 0.00 C ATOM 1559 C ASN A 101 8.143 5.149 10.656 1.00 0.00 C ATOM 1560 O ASN A 101 8.269 4.022 11.132 1.00 0.00 O ATOM 1561 CB ASN A 101 6.157 6.315 11.562 1.00 0.00 C ATOM 1562 CG ASN A 101 5.635 5.906 12.941 1.00 0.00 C ATOM 1563 OD1 ASN A 101 6.217 6.212 13.969 1.00 0.00 O ATOM 1564 ND2 ASN A 101 4.510 5.199 12.906 1.00 0.00 N ATOM 0 H ASN A 101 7.487 8.264 10.783 1.00 0.00 H new ATOM 0 HA ASN A 101 8.066 6.218 12.549 1.00 0.00 H new ATOM 0 HB2 ASN A 101 5.784 7.307 11.308 1.00 0.00 H new ATOM 0 HB3 ASN A 101 5.776 5.628 10.807 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.082 4.878 13.775 1.00 0.00 H new ATOM 0 HD22 ASN A 101 4.074 4.978 12.011 1.00 0.00 H new ATOM 1571 N TRP A 102 8.378 5.458 9.388 1.00 0.00 N ATOM 1572 CA TRP A 102 8.818 4.449 8.441 1.00 0.00 C ATOM 1573 C TRP A 102 10.346 4.389 8.488 1.00 0.00 C ATOM 1574 O TRP A 102 10.921 3.353 8.819 1.00 0.00 O ATOM 1575 CB TRP A 102 8.274 4.736 7.040 1.00 0.00 C ATOM 1576 CG TRP A 102 6.746 4.740 6.955 1.00 0.00 C ATOM 1577 CD1 TRP A 102 5.869 5.186 7.865 1.00 0.00 C ATOM 1578 CD2 TRP A 102 5.945 4.253 5.857 1.00 0.00 C ATOM 1579 NE1 TRP A 102 4.568 5.023 7.435 1.00 0.00 N ATOM 1580 CE2 TRP A 102 4.616 4.439 6.175 1.00 0.00 C ATOM 1581 CE3 TRP A 102 6.333 3.676 4.635 1.00 0.00 C ATOM 1582 CZ2 TRP A 102 3.565 4.074 5.325 1.00 0.00 C ATOM 1583 CZ3 TRP A 102 5.271 3.318 3.795 1.00 0.00 C ATOM 1584 CH2 TRP A 102 3.927 3.497 4.102 1.00 0.00 C ATOM 0 H TRP A 102 8.272 6.393 8.996 1.00 0.00 H new ATOM 0 HA TRP A 102 8.423 3.470 8.711 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.649 5.704 6.707 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.664 3.988 6.350 1.00 0.00 H new ATOM 0 HD1 TRP A 102 6.146 5.618 8.815 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.726 5.283 7.948 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.367 3.521 4.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.532 4.229 5.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.513 2.872 2.842 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.165 3.192 3.400 1.00 0.00 H new