USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 479 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 279 CYS SG : rot 73:sc= 1.15 USER MOD Set 1.2: A 280 ASN : amide:sc= -0.15 X(o=1,f=0.91) USER MOD Set 2.1: A 270 ASN :FLIP amide:sc= -3.18! C(o=-5.5!,f=-4.2!) USER MOD Set 2.2: A 274 GLN :FLIP amide:sc= -1.06 F(o=-6.1!,f=-4.2) USER MOD Set 3.1: A 254 THR OG1 : rot -13:sc= 1.06 USER MOD Set 3.2: A 285 HIS : no HD1:sc= 0.0247 K(o=1.1,f=-0.7) USER MOD Set 4.1: A 245 LYS NZ :NH3+ 175:sc= -2.57! (180deg=-2.77!) USER MOD Set 4.2: A 290 HIS : no HE2:sc= -0.723 K(o=-3.3,f=-4) USER MOD Single : A 239 TYR OH : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= -0.0249 K(o=-0.025,f=-0.77) USER MOD Single : A 249 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 253 LYS NZ :NH3+ 157:sc= -0.12 (180deg=-0.521) USER MOD Single : A 265 LYS NZ :NH3+ 127:sc= 1.26 (180deg=0.472) USER MOD Single : A 267 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : A 268 LYS NZ :NH3+ 173:sc= 1.2 (180deg=1.06) USER MOD Single : A 272 SER OG : rot 180:sc= 0 USER MOD Single : A 282 LYS NZ :NH3+ 174:sc= 0.66 (180deg=0.635) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 237 11.232 -5.186 0.805 1.00 0.00 N ATOM 9 CA PRO A 237 9.810 -4.933 1.029 1.00 0.00 C ATOM 10 C PRO A 237 9.569 -3.565 1.646 1.00 0.00 C ATOM 11 O PRO A 237 10.169 -3.217 2.667 1.00 0.00 O ATOM 12 CB PRO A 237 9.379 -6.043 2.004 1.00 0.00 C ATOM 13 CG PRO A 237 10.530 -6.990 2.075 1.00 0.00 C ATOM 14 CD PRO A 237 11.753 -6.191 1.733 1.00 0.00 C ATOM 0 HA PRO A 237 9.247 -4.939 0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 237 9.149 -5.632 2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 237 8.479 -6.547 1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 237 10.615 -7.425 3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 237 10.397 -7.816 1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 237 12.198 -5.734 2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 237 12.524 -6.808 1.271 1.00 0.00 H new ATOM 22 N ILE A 238 8.691 -2.790 1.030 1.00 0.00 N ATOM 23 CA ILE A 238 8.420 -1.435 1.501 1.00 0.00 C ATOM 24 C ILE A 238 7.263 -1.423 2.482 1.00 0.00 C ATOM 25 O ILE A 238 6.217 -2.008 2.224 1.00 0.00 O ATOM 26 CB ILE A 238 8.163 -0.452 0.318 1.00 0.00 C ATOM 27 CG1 ILE A 238 7.222 0.709 0.705 1.00 0.00 C ATOM 28 CG2 ILE A 238 7.633 -1.193 -0.898 1.00 0.00 C ATOM 29 CD1 ILE A 238 5.791 0.530 0.251 1.00 0.00 C ATOM 0 H ILE A 238 8.156 -3.070 0.208 1.00 0.00 H new ATOM 0 HA ILE A 238 9.311 -1.087 2.023 1.00 0.00 H new ATOM 0 HB ILE A 238 9.126 -0.008 0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 238 7.235 0.825 1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 238 7.612 1.634 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 238 7.462 -0.485 -1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 238 8.361 -1.939 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 238 6.695 -1.687 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 238 5.200 1.390 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 238 5.762 0.446 -0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 238 5.379 -0.375 0.696 1.00 0.00 H new ATOM 41 N TYR A 239 7.449 -0.771 3.617 1.00 0.00 N ATOM 42 CA TYR A 239 6.373 -0.641 4.570 1.00 0.00 C ATOM 43 C TYR A 239 5.724 0.711 4.368 1.00 0.00 C ATOM 44 O TYR A 239 6.377 1.731 4.478 1.00 0.00 O ATOM 45 CB TYR A 239 6.885 -0.768 6.006 1.00 0.00 C ATOM 46 CG TYR A 239 7.184 -2.185 6.421 1.00 0.00 C ATOM 47 CD1 TYR A 239 6.154 -3.090 6.625 1.00 0.00 C ATOM 48 CD2 TYR A 239 8.489 -2.618 6.618 1.00 0.00 C ATOM 49 CE1 TYR A 239 6.412 -4.388 7.013 1.00 0.00 C ATOM 50 CE2 TYR A 239 8.757 -3.915 7.003 1.00 0.00 C ATOM 51 CZ TYR A 239 7.715 -4.797 7.200 1.00 0.00 C ATOM 52 OH TYR A 239 7.978 -6.089 7.588 1.00 0.00 O ATOM 0 H TYR A 239 8.326 -0.330 3.894 1.00 0.00 H new ATOM 0 HA TYR A 239 5.650 -1.441 4.409 1.00 0.00 H new ATOM 0 HB2 TYR A 239 7.789 -0.169 6.114 1.00 0.00 H new ATOM 0 HB3 TYR A 239 6.142 -0.349 6.685 1.00 0.00 H new ATOM 0 HD1 TYR A 239 5.132 -2.773 6.478 1.00 0.00 H new ATOM 0 HD2 TYR A 239 9.306 -1.928 6.467 1.00 0.00 H new ATOM 0 HE1 TYR A 239 5.598 -5.080 7.169 1.00 0.00 H new ATOM 0 HE2 TYR A 239 9.777 -4.238 7.149 1.00 0.00 H new ATOM 0 HH TYR A 239 8.946 -6.214 7.674 1.00 0.00 H new ATOM 62 N ALA A 240 4.456 0.741 4.057 1.00 0.00 N ATOM 63 CA ALA A 240 3.833 2.005 3.745 1.00 0.00 C ATOM 64 C ALA A 240 2.760 2.355 4.754 1.00 0.00 C ATOM 65 O ALA A 240 1.779 1.629 4.914 1.00 0.00 O ATOM 66 CB ALA A 240 3.279 1.977 2.332 1.00 0.00 C ATOM 0 H ALA A 240 3.843 -0.073 4.012 1.00 0.00 H new ATOM 0 HA ALA A 240 4.590 2.787 3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 240 2.811 2.935 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 240 4.090 1.794 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 240 2.538 1.182 2.247 1.00 0.00 H new ATOM 72 N ARG A 241 2.968 3.465 5.446 1.00 0.00 N ATOM 73 CA ARG A 241 1.977 3.990 6.364 1.00 0.00 C ATOM 74 C ARG A 241 0.918 4.708 5.560 1.00 0.00 C ATOM 75 O ARG A 241 1.116 5.839 5.145 1.00 0.00 O ATOM 76 CB ARG A 241 2.631 4.982 7.333 1.00 0.00 C ATOM 77 CG ARG A 241 2.585 4.555 8.799 1.00 0.00 C ATOM 78 CD ARG A 241 1.152 4.382 9.317 1.00 0.00 C ATOM 79 NE ARG A 241 1.128 4.013 10.731 1.00 0.00 N ATOM 80 CZ ARG A 241 0.430 4.673 11.659 1.00 0.00 C ATOM 81 NH1 ARG A 241 -0.140 5.835 11.365 1.00 0.00 N ATOM 82 NH2 ARG A 241 0.348 4.196 12.895 1.00 0.00 N ATOM 0 H ARG A 241 3.821 4.021 5.386 1.00 0.00 H new ATOM 0 HA ARG A 241 1.537 3.174 6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 241 3.671 5.124 7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.137 5.948 7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.126 3.616 8.918 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.100 5.299 9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 241 0.599 5.310 9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 241 0.644 3.615 8.732 1.00 0.00 H new ATOM 0 HE ARG A 241 1.676 3.205 11.026 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -0.046 6.227 10.428 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -0.672 6.336 12.076 1.00 0.00 H new ATOM 0 HH21 ARG A 241 0.819 3.324 13.137 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -0.185 4.701 13.602 1.00 0.00 H new ATOM 96 N VAL A 242 -0.207 4.080 5.336 1.00 0.00 N ATOM 97 CA VAL A 242 -1.210 4.707 4.514 1.00 0.00 C ATOM 98 C VAL A 242 -2.003 5.710 5.338 1.00 0.00 C ATOM 99 O VAL A 242 -2.681 5.358 6.304 1.00 0.00 O ATOM 100 CB VAL A 242 -2.134 3.689 3.812 1.00 0.00 C ATOM 101 CG1 VAL A 242 -2.890 2.836 4.807 1.00 0.00 C ATOM 102 CG2 VAL A 242 -3.091 4.414 2.892 1.00 0.00 C ATOM 0 H VAL A 242 -0.449 3.158 5.700 1.00 0.00 H new ATOM 0 HA VAL A 242 -0.694 5.237 3.713 1.00 0.00 H new ATOM 0 HB VAL A 242 -1.510 3.017 3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 242 -3.529 2.133 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 242 -2.182 2.285 5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 242 -3.505 3.475 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 242 -3.741 3.690 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 242 -3.697 5.110 3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 242 -2.526 4.965 2.140 1.00 0.00 H new ATOM 112 N ILE A 243 -1.873 6.973 4.957 1.00 0.00 N ATOM 113 CA ILE A 243 -2.457 8.073 5.704 1.00 0.00 C ATOM 114 C ILE A 243 -3.779 8.507 5.095 1.00 0.00 C ATOM 115 O ILE A 243 -4.407 9.453 5.566 1.00 0.00 O ATOM 116 CB ILE A 243 -1.479 9.278 5.777 1.00 0.00 C ATOM 117 CG1 ILE A 243 -1.083 9.797 4.378 1.00 0.00 C ATOM 118 CG2 ILE A 243 -0.231 8.887 6.552 1.00 0.00 C ATOM 119 CD1 ILE A 243 -2.075 10.763 3.770 1.00 0.00 C ATOM 0 H ILE A 243 -1.361 7.261 4.123 1.00 0.00 H new ATOM 0 HA ILE A 243 -2.645 7.718 6.717 1.00 0.00 H new ATOM 0 HB ILE A 243 -1.999 10.086 6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 243 -0.112 10.287 4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 243 -0.964 8.946 3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 243 0.450 9.737 6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 243 -0.509 8.589 7.563 1.00 0.00 H new ATOM 0 HG23 ILE A 243 0.263 8.054 6.051 1.00 0.00 H new ATOM 0 HD11 ILE A 243 -1.721 11.079 2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 243 -3.043 10.273 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 243 -2.177 11.635 4.416 1.00 0.00 H new ATOM 131 N GLN A 244 -4.200 7.797 4.058 1.00 0.00 N ATOM 132 CA GLN A 244 -5.387 8.172 3.309 1.00 0.00 C ATOM 133 C GLN A 244 -5.674 7.136 2.236 1.00 0.00 C ATOM 134 O GLN A 244 -5.113 7.190 1.143 1.00 0.00 O ATOM 135 CB GLN A 244 -5.172 9.539 2.652 1.00 0.00 C ATOM 136 CG GLN A 244 -6.398 10.096 1.946 1.00 0.00 C ATOM 137 CD GLN A 244 -7.523 10.443 2.907 1.00 0.00 C ATOM 138 OE1 GLN A 244 -7.286 10.783 4.065 1.00 0.00 O ATOM 139 NE2 GLN A 244 -8.757 10.371 2.430 1.00 0.00 N ATOM 0 H GLN A 244 -3.734 6.956 3.717 1.00 0.00 H new ATOM 0 HA GLN A 244 -6.234 8.225 3.992 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -4.853 10.249 3.415 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -4.358 9.458 1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -6.116 10.988 1.387 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -6.758 9.366 1.221 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -8.914 10.085 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -9.550 10.602 3.029 1.00 0.00 H new ATOM 148 N LYS A 245 -6.505 6.167 2.556 1.00 0.00 N ATOM 149 CA LYS A 245 -6.957 5.218 1.562 1.00 0.00 C ATOM 150 C LYS A 245 -8.378 4.778 1.871 1.00 0.00 C ATOM 151 O LYS A 245 -8.898 5.019 2.962 1.00 0.00 O ATOM 152 CB LYS A 245 -6.022 4.012 1.432 1.00 0.00 C ATOM 153 CG LYS A 245 -5.863 3.539 -0.014 1.00 0.00 C ATOM 154 CD LYS A 245 -4.581 4.062 -0.656 1.00 0.00 C ATOM 155 CE LYS A 245 -3.400 3.144 -0.392 1.00 0.00 C ATOM 156 NZ LYS A 245 -2.096 3.780 -0.736 1.00 0.00 N ATOM 0 H LYS A 245 -6.880 6.016 3.493 1.00 0.00 H new ATOM 0 HA LYS A 245 -6.942 5.723 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -5.043 4.272 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -6.408 3.192 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -5.861 2.449 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -6.721 3.870 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -4.729 4.163 -1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -4.361 5.057 -0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -3.395 2.857 0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -3.519 2.229 -0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -1.318 3.148 -0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -2.054 3.954 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -2.005 4.683 -0.228 1.00 0.00 H new ATOM 170 N ARG A 246 -8.982 4.147 0.893 1.00 0.00 N ATOM 171 CA ARG A 246 -10.378 3.754 0.933 1.00 0.00 C ATOM 172 C ARG A 246 -10.480 2.262 1.239 1.00 0.00 C ATOM 173 O ARG A 246 -9.461 1.595 1.417 1.00 0.00 O ATOM 174 CB ARG A 246 -11.018 4.053 -0.423 1.00 0.00 C ATOM 175 CG ARG A 246 -10.460 3.195 -1.547 1.00 0.00 C ATOM 176 CD ARG A 246 -11.219 3.410 -2.846 1.00 0.00 C ATOM 177 NE ARG A 246 -12.611 2.976 -2.738 1.00 0.00 N ATOM 178 CZ ARG A 246 -13.267 2.327 -3.699 1.00 0.00 C ATOM 179 NH1 ARG A 246 -12.675 2.071 -4.860 1.00 0.00 N ATOM 180 NH2 ARG A 246 -14.519 1.939 -3.504 1.00 0.00 N ATOM 0 H ARG A 246 -8.511 3.885 0.027 1.00 0.00 H new ATOM 0 HA ARG A 246 -10.898 4.311 1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -12.094 3.895 -0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -10.865 5.104 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -9.407 3.432 -1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -10.513 2.144 -1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -11.187 4.466 -3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -10.728 2.861 -3.649 1.00 0.00 H new ATOM 0 HE ARG A 246 -13.111 3.183 -1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -11.713 2.372 -5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -13.182 1.574 -5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -14.982 2.137 -2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -15.020 1.442 -4.241 1.00 0.00 H new ATOM 194 N VAL A 247 -11.697 1.732 1.283 1.00 0.00 N ATOM 195 CA VAL A 247 -11.889 0.304 1.516 1.00 0.00 C ATOM 196 C VAL A 247 -12.344 -0.407 0.233 1.00 0.00 C ATOM 197 O VAL A 247 -13.534 -0.638 0.019 1.00 0.00 O ATOM 198 CB VAL A 247 -12.906 0.037 2.649 1.00 0.00 C ATOM 199 CG1 VAL A 247 -13.014 -1.454 2.940 1.00 0.00 C ATOM 200 CG2 VAL A 247 -12.513 0.791 3.911 1.00 0.00 C ATOM 0 H VAL A 247 -12.559 2.263 1.162 1.00 0.00 H new ATOM 0 HA VAL A 247 -10.924 -0.098 1.823 1.00 0.00 H new ATOM 0 HB VAL A 247 -13.881 0.395 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -13.735 -1.617 3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -13.344 -1.977 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -12.040 -1.837 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -13.241 0.590 4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -11.526 0.463 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -12.489 1.861 3.703 1.00 0.00 H new ATOM 210 N PRO A 248 -11.389 -0.714 -0.655 1.00 0.00 N ATOM 211 CA PRO A 248 -11.605 -1.492 -1.864 1.00 0.00 C ATOM 212 C PRO A 248 -11.310 -2.969 -1.633 1.00 0.00 C ATOM 213 O PRO A 248 -10.742 -3.345 -0.613 1.00 0.00 O ATOM 214 CB PRO A 248 -10.576 -0.902 -2.840 1.00 0.00 C ATOM 215 CG PRO A 248 -9.666 -0.042 -2.011 1.00 0.00 C ATOM 216 CD PRO A 248 -10.004 -0.308 -0.579 1.00 0.00 C ATOM 0 HA PRO A 248 -12.635 -1.441 -2.218 1.00 0.00 H new ATOM 0 HB2 PRO A 248 -10.017 -1.692 -3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 248 -11.066 -0.316 -3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 248 -8.621 -0.279 -2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 248 -9.805 1.012 -2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 248 -9.375 -1.089 -0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 248 -9.875 0.580 0.040 1.00 0.00 H new ATOM 224 N ASN A 249 -11.695 -3.807 -2.568 1.00 0.00 N ATOM 225 CA ASN A 249 -11.438 -5.233 -2.456 1.00 0.00 C ATOM 226 C ASN A 249 -10.655 -5.727 -3.661 1.00 0.00 C ATOM 227 O ASN A 249 -10.337 -4.958 -4.571 1.00 0.00 O ATOM 228 CB ASN A 249 -12.749 -6.031 -2.335 1.00 0.00 C ATOM 229 CG ASN A 249 -13.603 -5.640 -1.140 1.00 0.00 C ATOM 230 OD1 ASN A 249 -12.979 -5.155 -0.080 1.00 0.00 O flip ATOM 231 ND2 ASN A 249 -14.827 -5.775 -1.173 1.00 0.00 N flip ATOM 0 H ASN A 249 -12.188 -3.530 -3.417 1.00 0.00 H new ATOM 0 HA ASN A 249 -10.851 -5.391 -1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 249 -13.332 -5.893 -3.246 1.00 0.00 H new ATOM 0 HB3 ASN A 249 -12.511 -7.093 -2.267 1.00 0.00 H new ATOM 0 HD21 ASN A 249 -15.276 -6.153 -2.007 1.00 0.00 H new ATOM 0 HD22 ASN A 249 -15.391 -5.509 -0.366 1.00 0.00 H new ATOM 238 N ALA A 250 -10.328 -7.013 -3.654 1.00 0.00 N ATOM 239 CA ALA A 250 -9.675 -7.660 -4.788 1.00 0.00 C ATOM 240 C ALA A 250 -10.552 -7.615 -6.044 1.00 0.00 C ATOM 241 O ALA A 250 -10.159 -8.082 -7.106 1.00 0.00 O ATOM 242 CB ALA A 250 -9.346 -9.100 -4.440 1.00 0.00 C ATOM 0 H ALA A 250 -10.506 -7.636 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 250 -8.756 -7.115 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 250 -8.859 -9.578 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 250 -8.678 -9.123 -3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 250 -10.265 -9.635 -4.200 1.00 0.00 H new ATOM 248 N TYR A 251 -11.746 -7.061 -5.914 1.00 0.00 N ATOM 249 CA TYR A 251 -12.636 -6.884 -7.051 1.00 0.00 C ATOM 250 C TYR A 251 -12.590 -5.447 -7.546 1.00 0.00 C ATOM 251 O TYR A 251 -13.218 -5.097 -8.542 1.00 0.00 O ATOM 252 CB TYR A 251 -14.065 -7.269 -6.683 1.00 0.00 C ATOM 253 CG TYR A 251 -14.255 -8.759 -6.537 1.00 0.00 C ATOM 254 CD1 TYR A 251 -13.853 -9.418 -5.384 1.00 0.00 C ATOM 255 CD2 TYR A 251 -14.828 -9.506 -7.556 1.00 0.00 C ATOM 256 CE1 TYR A 251 -14.014 -10.784 -5.251 1.00 0.00 C ATOM 257 CE2 TYR A 251 -14.995 -10.870 -7.431 1.00 0.00 C ATOM 258 CZ TYR A 251 -14.588 -11.504 -6.277 1.00 0.00 C ATOM 259 OH TYR A 251 -14.743 -12.865 -6.156 1.00 0.00 O ATOM 0 H TYR A 251 -12.123 -6.724 -5.028 1.00 0.00 H new ATOM 0 HA TYR A 251 -12.297 -7.540 -7.853 1.00 0.00 H new ATOM 0 HB2 TYR A 251 -14.338 -6.780 -5.748 1.00 0.00 H new ATOM 0 HB3 TYR A 251 -14.745 -6.895 -7.448 1.00 0.00 H new ATOM 0 HD1 TYR A 251 -13.407 -8.854 -4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 251 -15.148 -9.012 -8.461 1.00 0.00 H new ATOM 0 HE1 TYR A 251 -13.692 -11.284 -4.349 1.00 0.00 H new ATOM 0 HE2 TYR A 251 -15.442 -11.438 -8.233 1.00 0.00 H new ATOM 0 HH TYR A 251 -15.165 -13.220 -6.966 1.00 0.00 H new ATOM 269 N ASP A 252 -11.821 -4.624 -6.855 1.00 0.00 N ATOM 270 CA ASP A 252 -11.719 -3.206 -7.193 1.00 0.00 C ATOM 271 C ASP A 252 -10.386 -2.945 -7.860 1.00 0.00 C ATOM 272 O ASP A 252 -9.527 -2.260 -7.300 1.00 0.00 O ATOM 273 CB ASP A 252 -11.870 -2.325 -5.948 1.00 0.00 C ATOM 274 CG ASP A 252 -13.262 -2.379 -5.355 1.00 0.00 C ATOM 275 OD1 ASP A 252 -14.133 -1.599 -5.791 1.00 0.00 O ATOM 276 OD2 ASP A 252 -13.492 -3.198 -4.445 1.00 0.00 O ATOM 0 H ASP A 252 -11.256 -4.909 -6.055 1.00 0.00 H new ATOM 0 HA ASP A 252 -12.528 -2.953 -7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 252 -11.147 -2.641 -5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 252 -11.630 -1.294 -6.207 1.00 0.00 H new ATOM 281 N LYS A 253 -10.208 -3.528 -9.045 1.00 0.00 N ATOM 282 CA LYS A 253 -8.920 -3.520 -9.733 1.00 0.00 C ATOM 283 C LYS A 253 -7.877 -4.232 -8.875 1.00 0.00 C ATOM 284 O LYS A 253 -6.679 -4.054 -9.059 1.00 0.00 O ATOM 285 CB LYS A 253 -8.458 -2.088 -10.042 1.00 0.00 C ATOM 286 CG LYS A 253 -9.374 -1.300 -10.976 1.00 0.00 C ATOM 287 CD LYS A 253 -9.321 -1.820 -12.409 1.00 0.00 C ATOM 288 CE LYS A 253 -10.280 -2.979 -12.643 1.00 0.00 C ATOM 289 NZ LYS A 253 -11.700 -2.577 -12.457 1.00 0.00 N ATOM 0 H LYS A 253 -10.947 -4.015 -9.551 1.00 0.00 H new ATOM 0 HA LYS A 253 -9.036 -4.045 -10.681 1.00 0.00 H new ATOM 0 HB2 LYS A 253 -8.365 -1.542 -9.103 1.00 0.00 H new ATOM 0 HB3 LYS A 253 -7.463 -2.131 -10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 253 -10.399 -1.355 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 253 -9.087 -0.249 -10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 253 -9.562 -1.009 -13.096 1.00 0.00 H new ATOM 0 HD3 LYS A 253 -8.305 -2.141 -12.639 1.00 0.00 H new ATOM 0 HE2 LYS A 253 -10.142 -3.365 -13.653 1.00 0.00 H new ATOM 0 HE3 LYS A 253 -10.041 -3.791 -11.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 -12.317 -3.231 -12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 -11.940 -2.609 -11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 -11.837 -1.610 -12.815 1.00 0.00 H new ATOM 303 N THR A 254 -8.373 -5.044 -7.941 1.00 0.00 N ATOM 304 CA THR A 254 -7.565 -5.739 -6.951 1.00 0.00 C ATOM 305 C THR A 254 -6.731 -4.748 -6.142 1.00 0.00 C ATOM 306 O THR A 254 -5.501 -4.735 -6.194 1.00 0.00 O ATOM 307 CB THR A 254 -6.674 -6.847 -7.567 1.00 0.00 C ATOM 308 OG1 THR A 254 -5.608 -6.305 -8.362 1.00 0.00 O ATOM 309 CG2 THR A 254 -7.500 -7.787 -8.431 1.00 0.00 C ATOM 0 H THR A 254 -9.371 -5.238 -7.854 1.00 0.00 H new ATOM 0 HA THR A 254 -8.259 -6.244 -6.279 1.00 0.00 H new ATOM 0 HB THR A 254 -6.240 -7.395 -6.731 1.00 0.00 H new ATOM 0 HG1 THR A 254 -5.779 -5.356 -8.535 1.00 0.00 H new ATOM 0 HG21 THR A 254 -6.853 -8.556 -8.853 1.00 0.00 H new ATOM 0 HG22 THR A 254 -8.273 -8.256 -7.822 1.00 0.00 H new ATOM 0 HG23 THR A 254 -7.967 -7.223 -9.238 1.00 0.00 H new ATOM 317 N ALA A 255 -7.424 -3.902 -5.398 1.00 0.00 N ATOM 318 CA ALA A 255 -6.775 -2.869 -4.615 1.00 0.00 C ATOM 319 C ALA A 255 -6.868 -3.174 -3.123 1.00 0.00 C ATOM 320 O ALA A 255 -7.769 -3.881 -2.673 1.00 0.00 O ATOM 321 CB ALA A 255 -7.385 -1.521 -4.933 1.00 0.00 C ATOM 0 H ALA A 255 -8.441 -3.912 -5.321 1.00 0.00 H new ATOM 0 HA ALA A 255 -5.718 -2.844 -4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 255 -6.892 -0.750 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 255 -7.254 -1.303 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 255 -8.448 -1.537 -4.694 1.00 0.00 H new ATOM 327 N LEU A 256 -5.914 -2.635 -2.376 1.00 0.00 N ATOM 328 CA LEU A 256 -5.790 -2.895 -0.943 1.00 0.00 C ATOM 329 C LEU A 256 -6.949 -2.251 -0.176 1.00 0.00 C ATOM 330 O LEU A 256 -7.275 -1.104 -0.413 1.00 0.00 O ATOM 331 CB LEU A 256 -4.444 -2.318 -0.443 1.00 0.00 C ATOM 332 CG LEU A 256 -3.765 -3.069 0.710 1.00 0.00 C ATOM 333 CD1 LEU A 256 -4.717 -3.247 1.853 1.00 0.00 C ATOM 334 CD2 LEU A 256 -3.291 -4.425 0.260 1.00 0.00 C ATOM 0 H LEU A 256 -5.202 -2.004 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 256 -5.821 -3.971 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 256 -3.752 -2.287 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 256 -4.610 -1.288 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 256 -2.910 -2.475 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 256 -4.219 -3.781 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 256 -5.043 -2.270 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 256 -5.583 -3.819 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 256 -2.813 -4.939 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 256 -4.142 -5.011 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 256 -2.574 -4.309 -0.553 1.00 0.00 H new ATOM 346 N ALA A 257 -7.580 -2.986 0.730 1.00 0.00 N ATOM 347 CA ALA A 257 -8.523 -2.382 1.662 1.00 0.00 C ATOM 348 C ALA A 257 -7.772 -1.842 2.866 1.00 0.00 C ATOM 349 O ALA A 257 -7.499 -2.565 3.831 1.00 0.00 O ATOM 350 CB ALA A 257 -9.583 -3.374 2.090 1.00 0.00 C ATOM 0 H ALA A 257 -7.458 -3.993 0.839 1.00 0.00 H new ATOM 0 HA ALA A 257 -9.032 -1.559 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -10.271 -2.894 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -10.133 -3.719 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -9.109 -4.225 2.579 1.00 0.00 H new ATOM 356 N LEU A 258 -7.425 -0.572 2.787 1.00 0.00 N ATOM 357 CA LEU A 258 -6.606 0.074 3.810 1.00 0.00 C ATOM 358 C LEU A 258 -7.079 1.495 4.042 1.00 0.00 C ATOM 359 O LEU A 258 -7.750 2.082 3.208 1.00 0.00 O ATOM 360 CB LEU A 258 -5.109 0.046 3.439 1.00 0.00 C ATOM 361 CG LEU A 258 -4.671 0.878 2.228 1.00 0.00 C ATOM 362 CD1 LEU A 258 -3.225 0.615 1.878 1.00 0.00 C ATOM 363 CD2 LEU A 258 -5.512 0.578 1.029 1.00 0.00 C ATOM 0 H LEU A 258 -7.697 0.043 2.020 1.00 0.00 H new ATOM 0 HA LEU A 258 -6.721 -0.488 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -4.540 0.385 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -4.826 -0.991 3.257 1.00 0.00 H new ATOM 0 HG LEU A 258 -4.795 1.925 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -2.944 1.219 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -2.592 0.876 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -3.095 -0.441 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -5.176 1.184 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -5.420 -0.478 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -6.554 0.809 1.249 1.00 0.00 H new ATOM 375 N GLU A 259 -6.710 2.051 5.166 1.00 0.00 N ATOM 376 CA GLU A 259 -7.339 3.258 5.649 1.00 0.00 C ATOM 377 C GLU A 259 -6.309 4.185 6.311 1.00 0.00 C ATOM 378 O GLU A 259 -5.156 3.808 6.482 1.00 0.00 O ATOM 379 CB GLU A 259 -8.438 2.832 6.632 1.00 0.00 C ATOM 380 CG GLU A 259 -9.068 3.955 7.419 1.00 0.00 C ATOM 381 CD GLU A 259 -10.146 3.464 8.358 1.00 0.00 C ATOM 382 OE1 GLU A 259 -9.807 2.808 9.366 1.00 0.00 O ATOM 383 OE2 GLU A 259 -11.336 3.733 8.095 1.00 0.00 O ATOM 0 H GLU A 259 -5.973 1.687 5.769 1.00 0.00 H new ATOM 0 HA GLU A 259 -7.774 3.826 4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -9.221 2.316 6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -8.017 2.111 7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -8.297 4.471 7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -9.494 4.684 6.730 1.00 0.00 H new ATOM 390 N VAL A 260 -6.740 5.388 6.681 1.00 0.00 N ATOM 391 CA VAL A 260 -5.872 6.381 7.311 1.00 0.00 C ATOM 392 C VAL A 260 -5.203 5.842 8.580 1.00 0.00 C ATOM 393 O VAL A 260 -5.872 5.467 9.547 1.00 0.00 O ATOM 394 CB VAL A 260 -6.670 7.649 7.675 1.00 0.00 C ATOM 395 CG1 VAL A 260 -5.757 8.714 8.261 1.00 0.00 C ATOM 396 CG2 VAL A 260 -7.409 8.182 6.457 1.00 0.00 C ATOM 0 H VAL A 260 -7.702 5.703 6.553 1.00 0.00 H new ATOM 0 HA VAL A 260 -5.097 6.621 6.583 1.00 0.00 H new ATOM 0 HB VAL A 260 -7.406 7.383 8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -6.343 9.599 8.510 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -5.281 8.329 9.163 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -4.992 8.979 7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -7.967 9.077 6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -6.691 8.428 5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -8.100 7.423 6.089 1.00 0.00 H new ATOM 406 N GLY A 261 -3.877 5.785 8.542 1.00 0.00 N ATOM 407 CA GLY A 261 -3.094 5.448 9.712 1.00 0.00 C ATOM 408 C GLY A 261 -2.741 3.986 9.752 1.00 0.00 C ATOM 409 O GLY A 261 -2.133 3.510 10.709 1.00 0.00 O ATOM 0 H GLY A 261 -3.324 5.970 7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 261 -2.180 6.042 9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 261 -3.653 5.711 10.610 1.00 0.00 H new ATOM 413 N GLU A 262 -3.165 3.253 8.740 1.00 0.00 N ATOM 414 CA GLU A 262 -2.882 1.832 8.701 1.00 0.00 C ATOM 415 C GLU A 262 -1.536 1.602 8.045 1.00 0.00 C ATOM 416 O GLU A 262 -0.988 2.498 7.410 1.00 0.00 O ATOM 417 CB GLU A 262 -3.974 1.069 7.962 1.00 0.00 C ATOM 418 CG GLU A 262 -5.355 1.320 8.529 1.00 0.00 C ATOM 419 CD GLU A 262 -6.341 0.243 8.141 1.00 0.00 C ATOM 420 OE1 GLU A 262 -6.536 0.014 6.937 1.00 0.00 O ATOM 421 OE2 GLU A 262 -6.922 -0.389 9.047 1.00 0.00 O ATOM 0 H GLU A 262 -3.698 3.610 7.947 1.00 0.00 H new ATOM 0 HA GLU A 262 -2.855 1.456 9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 262 -3.961 1.354 6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 262 -3.757 0.002 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 262 -5.294 1.378 9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 262 -5.719 2.286 8.178 1.00 0.00 H new ATOM 428 N LEU A 263 -0.991 0.419 8.208 1.00 0.00 N ATOM 429 CA LEU A 263 0.294 0.120 7.620 1.00 0.00 C ATOM 430 C LEU A 263 0.191 -1.061 6.681 1.00 0.00 C ATOM 431 O LEU A 263 -0.656 -1.935 6.850 1.00 0.00 O ATOM 432 CB LEU A 263 1.339 -0.162 8.693 1.00 0.00 C ATOM 433 CG LEU A 263 2.724 -0.471 8.135 1.00 0.00 C ATOM 434 CD1 LEU A 263 3.422 0.805 7.709 1.00 0.00 C ATOM 435 CD2 LEU A 263 3.566 -1.230 9.130 1.00 0.00 C ATOM 0 H LEU A 263 -1.412 -0.345 8.737 1.00 0.00 H new ATOM 0 HA LEU A 263 0.608 0.997 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 263 1.408 0.701 9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 263 1.006 -1.004 9.300 1.00 0.00 H new ATOM 0 HG LEU A 263 2.594 -1.107 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 263 4.409 0.565 7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 263 2.833 1.302 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 263 3.527 1.467 8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 263 4.546 -1.433 8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 263 3.685 -0.635 10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 263 3.077 -2.172 9.377 1.00 0.00 H new ATOM 447 N VAL A 264 1.071 -1.091 5.699 1.00 0.00 N ATOM 448 CA VAL A 264 1.077 -2.144 4.708 1.00 0.00 C ATOM 449 C VAL A 264 2.509 -2.490 4.376 1.00 0.00 C ATOM 450 O VAL A 264 3.433 -1.756 4.726 1.00 0.00 O ATOM 451 CB VAL A 264 0.322 -1.769 3.401 1.00 0.00 C ATOM 452 CG1 VAL A 264 -1.096 -1.307 3.697 1.00 0.00 C ATOM 453 CG2 VAL A 264 1.080 -0.716 2.600 1.00 0.00 C ATOM 0 H VAL A 264 1.798 -0.388 5.568 1.00 0.00 H new ATOM 0 HA VAL A 264 0.550 -2.995 5.139 1.00 0.00 H new ATOM 0 HB VAL A 264 0.262 -2.670 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 264 -1.598 -1.052 2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 264 -1.643 -2.107 4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 264 -1.065 -0.430 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 264 0.523 -0.478 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 264 1.196 0.185 3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 264 2.063 -1.102 2.331 1.00 0.00 H new ATOM 463 N LYS A 265 2.686 -3.598 3.713 1.00 0.00 N ATOM 464 CA LYS A 265 3.990 -4.054 3.319 1.00 0.00 C ATOM 465 C LYS A 265 3.946 -4.459 1.850 1.00 0.00 C ATOM 466 O LYS A 265 3.486 -5.538 1.492 1.00 0.00 O ATOM 467 CB LYS A 265 4.411 -5.195 4.252 1.00 0.00 C ATOM 468 CG LYS A 265 5.588 -6.014 3.774 1.00 0.00 C ATOM 469 CD LYS A 265 5.092 -7.369 3.294 1.00 0.00 C ATOM 470 CE LYS A 265 6.213 -8.350 3.009 1.00 0.00 C ATOM 471 NZ LYS A 265 5.682 -9.735 2.887 1.00 0.00 N ATOM 0 H LYS A 265 1.925 -4.215 3.429 1.00 0.00 H new ATOM 0 HA LYS A 265 4.740 -3.269 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 265 4.653 -4.775 5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 265 3.559 -5.860 4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 265 6.103 -5.495 2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 265 6.309 -6.142 4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 265 4.429 -7.794 4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 265 4.499 -7.232 2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 265 6.724 -8.069 2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 265 6.952 -8.308 3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 6.002 -10.152 1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 6.030 -10.311 3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 4.642 -9.711 2.906 1.00 0.00 H new ATOM 485 N VAL A 266 4.367 -3.539 1.002 1.00 0.00 N ATOM 486 CA VAL A 266 4.318 -3.727 -0.429 1.00 0.00 C ATOM 487 C VAL A 266 5.301 -4.784 -0.890 1.00 0.00 C ATOM 488 O VAL A 266 6.499 -4.738 -0.571 1.00 0.00 O ATOM 489 CB VAL A 266 4.564 -2.395 -1.154 1.00 0.00 C ATOM 490 CG1 VAL A 266 4.809 -2.612 -2.637 1.00 0.00 C ATOM 491 CG2 VAL A 266 3.378 -1.477 -0.930 1.00 0.00 C ATOM 0 H VAL A 266 4.753 -2.640 1.291 1.00 0.00 H new ATOM 0 HA VAL A 266 3.319 -4.082 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 266 5.461 -1.930 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 266 4.980 -1.651 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 266 5.684 -3.247 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 266 3.939 -3.094 -3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 266 3.549 -0.530 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 266 2.476 -1.945 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 266 3.256 -1.294 0.138 1.00 0.00 H new ATOM 501 N THR A 267 4.757 -5.722 -1.651 1.00 0.00 N ATOM 502 CA THR A 267 5.468 -6.897 -2.099 1.00 0.00 C ATOM 503 C THR A 267 5.959 -6.750 -3.533 1.00 0.00 C ATOM 504 O THR A 267 6.858 -7.471 -3.962 1.00 0.00 O ATOM 505 CB THR A 267 4.536 -8.107 -1.998 1.00 0.00 C ATOM 506 OG1 THR A 267 3.250 -7.749 -2.525 1.00 0.00 O ATOM 507 CG2 THR A 267 4.387 -8.539 -0.549 1.00 0.00 C ATOM 0 H THR A 267 3.791 -5.682 -1.977 1.00 0.00 H new ATOM 0 HA THR A 267 6.343 -7.031 -1.463 1.00 0.00 H new ATOM 0 HB THR A 267 4.958 -8.935 -2.568 1.00 0.00 H new ATOM 0 HG1 THR A 267 2.646 -8.519 -2.466 1.00 0.00 H new ATOM 0 HG21 THR A 267 3.721 -9.400 -0.493 1.00 0.00 H new ATOM 0 HG22 THR A 267 5.364 -8.808 -0.147 1.00 0.00 H new ATOM 0 HG23 THR A 267 3.969 -7.719 0.034 1.00 0.00 H new ATOM 515 N LYS A 268 5.375 -5.816 -4.276 1.00 0.00 N ATOM 516 CA LYS A 268 5.801 -5.593 -5.648 1.00 0.00 C ATOM 517 C LYS A 268 6.109 -4.137 -5.854 1.00 0.00 C ATOM 518 O LYS A 268 5.214 -3.297 -5.938 1.00 0.00 O ATOM 519 CB LYS A 268 4.761 -6.093 -6.647 1.00 0.00 C ATOM 520 CG LYS A 268 5.076 -7.491 -7.137 1.00 0.00 C ATOM 521 CD LYS A 268 3.830 -8.352 -7.256 1.00 0.00 C ATOM 522 CE LYS A 268 2.930 -7.896 -8.393 1.00 0.00 C ATOM 523 NZ LYS A 268 1.665 -8.674 -8.443 1.00 0.00 N ATOM 0 H LYS A 268 4.618 -5.212 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 268 6.709 -6.169 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 268 3.776 -6.085 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 268 4.717 -5.412 -7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 268 5.568 -7.432 -8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 268 5.779 -7.965 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 268 4.121 -9.390 -7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 268 3.275 -8.318 -6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 268 2.701 -6.837 -8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 268 3.459 -8.002 -9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 1.029 -8.258 -9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 1.874 -9.660 -8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 1.206 -8.650 -7.510 1.00 0.00 H new ATOM 537 N ILE A 269 7.391 -3.858 -5.943 1.00 0.00 N ATOM 538 CA ILE A 269 7.884 -2.501 -5.866 1.00 0.00 C ATOM 539 C ILE A 269 8.148 -1.898 -7.233 1.00 0.00 C ATOM 540 O ILE A 269 8.403 -2.606 -8.207 1.00 0.00 O ATOM 541 CB ILE A 269 9.177 -2.408 -5.037 1.00 0.00 C ATOM 542 CG1 ILE A 269 9.484 -3.724 -4.303 1.00 0.00 C ATOM 543 CG2 ILE A 269 9.023 -1.286 -4.043 1.00 0.00 C ATOM 544 CD1 ILE A 269 8.616 -3.973 -3.084 1.00 0.00 C ATOM 0 H ILE A 269 8.118 -4.562 -6.070 1.00 0.00 H new ATOM 0 HA ILE A 269 7.091 -1.935 -5.377 1.00 0.00 H new ATOM 0 HB ILE A 269 10.013 -2.215 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 269 9.359 -4.553 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 269 10.530 -3.720 -3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 269 9.930 -1.203 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 269 8.852 -0.350 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 269 8.175 -1.492 -3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 269 8.897 -4.921 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 269 8.758 -3.166 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 269 7.569 -4.012 -3.385 1.00 0.00 H new ATOM 556 N ASN A 270 8.081 -0.581 -7.281 1.00 0.00 N ATOM 557 CA ASN A 270 8.332 0.163 -8.506 1.00 0.00 C ATOM 558 C ASN A 270 8.989 1.500 -8.193 1.00 0.00 C ATOM 559 O ASN A 270 9.377 1.738 -7.055 1.00 0.00 O ATOM 560 CB ASN A 270 7.055 0.346 -9.338 1.00 0.00 C ATOM 561 CG ASN A 270 5.836 0.834 -8.565 1.00 0.00 C ATOM 562 OD1 ASN A 270 6.015 1.732 -7.608 1.00 0.00 O flip ATOM 563 ND2 ASN A 270 4.719 0.422 -8.857 1.00 0.00 N flip ATOM 0 H ASN A 270 7.852 0.003 -6.477 1.00 0.00 H new ATOM 0 HA ASN A 270 9.021 -0.422 -9.114 1.00 0.00 H new ATOM 0 HB2 ASN A 270 7.263 1.054 -10.140 1.00 0.00 H new ATOM 0 HB3 ASN A 270 6.809 -0.606 -9.809 1.00 0.00 H new ATOM 0 HD21 ASN A 270 4.608 -0.270 -9.598 1.00 0.00 H new ATOM 0 HD22 ASN A 270 3.900 0.771 -8.359 1.00 0.00 H new ATOM 570 N VAL A 271 9.090 2.380 -9.178 1.00 0.00 N ATOM 571 CA VAL A 271 9.757 3.657 -8.966 1.00 0.00 C ATOM 572 C VAL A 271 8.757 4.788 -8.690 1.00 0.00 C ATOM 573 O VAL A 271 9.032 5.680 -7.886 1.00 0.00 O ATOM 574 CB VAL A 271 10.673 4.027 -10.161 1.00 0.00 C ATOM 575 CG1 VAL A 271 9.874 4.198 -11.446 1.00 0.00 C ATOM 576 CG2 VAL A 271 11.478 5.282 -9.856 1.00 0.00 C ATOM 0 H VAL A 271 8.724 2.237 -10.120 1.00 0.00 H new ATOM 0 HA VAL A 271 10.381 3.538 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 271 11.367 3.200 -10.312 1.00 0.00 H new ATOM 0 HG11 VAL A 271 10.549 4.457 -12.262 1.00 0.00 H new ATOM 0 HG12 VAL A 271 9.360 3.266 -11.682 1.00 0.00 H new ATOM 0 HG13 VAL A 271 9.141 4.994 -11.315 1.00 0.00 H new ATOM 0 HG21 VAL A 271 12.113 5.523 -10.708 1.00 0.00 H new ATOM 0 HG22 VAL A 271 10.799 6.112 -9.664 1.00 0.00 H new ATOM 0 HG23 VAL A 271 12.099 5.111 -8.977 1.00 0.00 H new ATOM 586 N SER A 272 7.591 4.738 -9.328 1.00 0.00 N ATOM 587 CA SER A 272 6.622 5.827 -9.220 1.00 0.00 C ATOM 588 C SER A 272 6.018 5.911 -7.822 1.00 0.00 C ATOM 589 O SER A 272 5.919 6.992 -7.247 1.00 0.00 O ATOM 590 CB SER A 272 5.501 5.636 -10.237 1.00 0.00 C ATOM 591 OG SER A 272 6.021 5.234 -11.496 1.00 0.00 O ATOM 0 H SER A 272 7.295 3.963 -9.921 1.00 0.00 H new ATOM 0 HA SER A 272 7.155 6.756 -9.421 1.00 0.00 H new ATOM 0 HB2 SER A 272 4.799 4.886 -9.873 1.00 0.00 H new ATOM 0 HB3 SER A 272 4.944 6.566 -10.349 1.00 0.00 H new ATOM 0 HG SER A 272 5.284 5.116 -12.132 1.00 0.00 H new ATOM 597 N GLY A 273 5.644 4.765 -7.270 1.00 0.00 N ATOM 598 CA GLY A 273 4.995 4.752 -5.980 1.00 0.00 C ATOM 599 C GLY A 273 3.628 4.099 -6.030 1.00 0.00 C ATOM 600 O GLY A 273 2.991 3.912 -4.999 1.00 0.00 O ATOM 0 H GLY A 273 5.779 3.847 -7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 273 5.623 4.220 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 273 4.894 5.775 -5.617 1.00 0.00 H new ATOM 604 N GLN A 274 3.169 3.752 -7.227 1.00 0.00 N ATOM 605 CA GLN A 274 1.898 3.049 -7.370 1.00 0.00 C ATOM 606 C GLN A 274 2.131 1.551 -7.469 1.00 0.00 C ATOM 607 O GLN A 274 1.934 0.932 -8.514 1.00 0.00 O ATOM 608 CB GLN A 274 1.075 3.558 -8.568 1.00 0.00 C ATOM 609 CG GLN A 274 1.820 4.471 -9.538 1.00 0.00 C ATOM 610 CD GLN A 274 2.629 3.734 -10.596 1.00 0.00 C ATOM 611 OE1 GLN A 274 3.134 2.555 -10.277 1.00 0.00 O flip ATOM 612 NE2 GLN A 274 2.792 4.231 -11.708 1.00 0.00 N flip ATOM 0 H GLN A 274 3.652 3.943 -8.105 1.00 0.00 H new ATOM 0 HA GLN A 274 1.310 3.258 -6.476 1.00 0.00 H new ATOM 0 HB2 GLN A 274 0.701 2.697 -9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 274 0.205 4.094 -8.187 1.00 0.00 H new ATOM 0 HG2 GLN A 274 1.099 5.119 -10.035 1.00 0.00 H new ATOM 0 HG3 GLN A 274 2.490 5.116 -8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 274 2.389 5.143 -11.923 1.00 0.00 H new ATOM 0 HE22 GLN A 274 3.330 3.731 -12.416 1.00 0.00 H new ATOM 621 N TRP A 275 2.525 0.981 -6.353 1.00 0.00 N ATOM 622 CA TRP A 275 2.953 -0.406 -6.297 1.00 0.00 C ATOM 623 C TRP A 275 1.857 -1.280 -5.719 1.00 0.00 C ATOM 624 O TRP A 275 0.829 -0.778 -5.262 1.00 0.00 O ATOM 625 CB TRP A 275 4.232 -0.538 -5.460 1.00 0.00 C ATOM 626 CG TRP A 275 4.449 0.561 -4.466 1.00 0.00 C ATOM 627 CD1 TRP A 275 3.553 1.083 -3.582 1.00 0.00 C ATOM 628 CD2 TRP A 275 5.670 1.262 -4.257 1.00 0.00 C ATOM 629 NE1 TRP A 275 4.144 2.089 -2.859 1.00 0.00 N ATOM 630 CE2 TRP A 275 5.447 2.210 -3.250 1.00 0.00 C ATOM 631 CE3 TRP A 275 6.931 1.176 -4.835 1.00 0.00 C ATOM 632 CZ2 TRP A 275 6.446 3.072 -2.811 1.00 0.00 C ATOM 633 CZ3 TRP A 275 7.921 2.023 -4.403 1.00 0.00 C ATOM 634 CH2 TRP A 275 7.678 2.962 -3.398 1.00 0.00 C ATOM 0 H TRP A 275 2.559 1.463 -5.455 1.00 0.00 H new ATOM 0 HA TRP A 275 3.163 -0.740 -7.313 1.00 0.00 H new ATOM 0 HB2 TRP A 275 4.205 -1.489 -4.928 1.00 0.00 H new ATOM 0 HB3 TRP A 275 5.088 -0.574 -6.134 1.00 0.00 H new ATOM 0 HD1 TRP A 275 2.531 0.754 -3.467 1.00 0.00 H new ATOM 0 HE1 TRP A 275 3.684 2.655 -2.145 1.00 0.00 H new ATOM 0 HE3 TRP A 275 7.129 0.453 -5.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 275 6.257 3.801 -2.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 275 8.904 1.962 -4.847 1.00 0.00 H new ATOM 0 HH2 TRP A 275 8.477 3.614 -3.078 1.00 0.00 H new ATOM 645 N GLU A 276 2.069 -2.587 -5.740 1.00 0.00 N ATOM 646 CA GLU A 276 1.084 -3.496 -5.191 1.00 0.00 C ATOM 647 C GLU A 276 1.423 -3.797 -3.745 1.00 0.00 C ATOM 648 O GLU A 276 2.512 -4.295 -3.432 1.00 0.00 O ATOM 649 CB GLU A 276 1.008 -4.785 -6.010 1.00 0.00 C ATOM 650 CG GLU A 276 -0.135 -5.695 -5.594 1.00 0.00 C ATOM 651 CD GLU A 276 -0.348 -6.836 -6.561 1.00 0.00 C ATOM 652 OE1 GLU A 276 -1.079 -6.646 -7.555 1.00 0.00 O ATOM 653 OE2 GLU A 276 0.218 -7.926 -6.342 1.00 0.00 O ATOM 0 H GLU A 276 2.901 -3.033 -6.125 1.00 0.00 H new ATOM 0 HA GLU A 276 0.104 -3.021 -5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 276 0.896 -4.531 -7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 276 1.949 -5.326 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 276 0.068 -6.097 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 276 -1.052 -5.110 -5.519 1.00 0.00 H new ATOM 660 N GLY A 277 0.461 -3.528 -2.882 1.00 0.00 N ATOM 661 CA GLY A 277 0.679 -3.595 -1.463 1.00 0.00 C ATOM 662 C GLY A 277 0.095 -4.846 -0.853 1.00 0.00 C ATOM 663 O GLY A 277 -0.873 -5.402 -1.368 1.00 0.00 O ATOM 0 H GLY A 277 -0.486 -3.259 -3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 277 1.749 -3.560 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 277 0.235 -2.720 -0.988 1.00 0.00 H new ATOM 667 N GLU A 278 0.691 -5.300 0.229 1.00 0.00 N ATOM 668 CA GLU A 278 0.157 -6.412 0.989 1.00 0.00 C ATOM 669 C GLU A 278 0.075 -6.018 2.454 1.00 0.00 C ATOM 670 O GLU A 278 1.079 -5.690 3.075 1.00 0.00 O ATOM 671 CB GLU A 278 1.037 -7.652 0.802 1.00 0.00 C ATOM 672 CG GLU A 278 0.865 -8.710 1.885 1.00 0.00 C ATOM 673 CD GLU A 278 1.855 -9.852 1.756 1.00 0.00 C ATOM 674 OE1 GLU A 278 3.017 -9.696 2.188 1.00 0.00 O ATOM 675 OE2 GLU A 278 1.474 -10.914 1.229 1.00 0.00 O ATOM 0 H GLU A 278 1.555 -4.911 0.606 1.00 0.00 H new ATOM 0 HA GLU A 278 -0.843 -6.657 0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 278 0.813 -8.100 -0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 278 2.082 -7.342 0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 278 0.981 -8.244 2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 278 -0.149 -9.108 1.840 1.00 0.00 H new ATOM 682 N CYS A 279 -1.118 -6.031 3.009 1.00 0.00 N ATOM 683 CA CYS A 279 -1.286 -5.622 4.383 1.00 0.00 C ATOM 684 C CYS A 279 -1.721 -6.792 5.236 1.00 0.00 C ATOM 685 O CYS A 279 -2.908 -7.113 5.288 1.00 0.00 O ATOM 686 CB CYS A 279 -2.311 -4.490 4.472 1.00 0.00 C ATOM 687 SG CYS A 279 -2.643 -3.909 6.149 1.00 0.00 S ATOM 0 H CYS A 279 -1.975 -6.317 2.535 1.00 0.00 H new ATOM 0 HA CYS A 279 -0.328 -5.261 4.758 1.00 0.00 H new ATOM 0 HB2 CYS A 279 -1.958 -3.650 3.873 1.00 0.00 H new ATOM 0 HB3 CYS A 279 -3.247 -4.828 4.027 1.00 0.00 H new ATOM 0 HG CYS A 279 -1.628 -3.220 6.578 1.00 0.00 H new ATOM 693 N ASN A 280 -0.729 -7.407 5.896 1.00 0.00 N ATOM 694 CA ASN A 280 -0.926 -8.555 6.787 1.00 0.00 C ATOM 695 C ASN A 280 -2.134 -9.407 6.389 1.00 0.00 C ATOM 696 O ASN A 280 -3.089 -9.558 7.150 1.00 0.00 O ATOM 697 CB ASN A 280 -1.007 -8.103 8.257 1.00 0.00 C ATOM 698 CG ASN A 280 -1.653 -6.742 8.439 1.00 0.00 C ATOM 699 OD1 ASN A 280 -2.866 -6.632 8.623 1.00 0.00 O ATOM 700 ND2 ASN A 280 -0.841 -5.689 8.394 1.00 0.00 N ATOM 0 H ASN A 280 0.246 -7.115 5.823 1.00 0.00 H new ATOM 0 HA ASN A 280 -0.052 -9.197 6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 280 -1.571 -8.843 8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 280 -0.001 -8.078 8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 280 -1.218 -4.749 8.514 1.00 0.00 H new ATOM 0 HD22 ASN A 280 0.158 -5.822 8.239 1.00 0.00 H new ATOM 707 N GLY A 281 -2.078 -9.958 5.183 1.00 0.00 N ATOM 708 CA GLY A 281 -3.153 -10.803 4.698 1.00 0.00 C ATOM 709 C GLY A 281 -3.858 -10.236 3.477 1.00 0.00 C ATOM 710 O GLY A 281 -4.226 -10.986 2.570 1.00 0.00 O ATOM 0 H GLY A 281 -1.304 -9.834 4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 281 -2.751 -11.786 4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 281 -3.882 -10.946 5.496 1.00 0.00 H new ATOM 714 N LYS A 282 -4.056 -8.924 3.443 1.00 0.00 N ATOM 715 CA LYS A 282 -4.679 -8.282 2.289 1.00 0.00 C ATOM 716 C LYS A 282 -3.658 -8.078 1.175 1.00 0.00 C ATOM 717 O LYS A 282 -2.491 -7.835 1.450 1.00 0.00 O ATOM 718 CB LYS A 282 -5.231 -6.921 2.691 1.00 0.00 C ATOM 719 CG LYS A 282 -6.157 -6.947 3.891 1.00 0.00 C ATOM 720 CD LYS A 282 -6.083 -5.626 4.630 1.00 0.00 C ATOM 721 CE LYS A 282 -7.135 -5.512 5.723 1.00 0.00 C ATOM 722 NZ LYS A 282 -7.164 -4.147 6.318 1.00 0.00 N ATOM 0 H LYS A 282 -3.797 -8.286 4.195 1.00 0.00 H new ATOM 0 HA LYS A 282 -5.483 -8.926 1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 282 -4.396 -6.254 2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 282 -5.768 -6.496 1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 282 -7.181 -7.135 3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 282 -5.879 -7.763 4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 282 -5.092 -5.514 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 282 -6.210 -4.808 3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 282 -8.116 -5.750 5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 282 -6.930 -6.245 6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 -7.958 -4.076 6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 -6.271 -3.969 6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 -7.283 -3.442 5.563 1.00 0.00 H new ATOM 736 N ARG A 283 -4.096 -8.166 -0.072 1.00 0.00 N ATOM 737 CA ARG A 283 -3.245 -7.796 -1.198 1.00 0.00 C ATOM 738 C ARG A 283 -4.009 -6.896 -2.154 1.00 0.00 C ATOM 739 O ARG A 283 -5.136 -7.196 -2.542 1.00 0.00 O ATOM 740 CB ARG A 283 -2.707 -9.019 -1.937 1.00 0.00 C ATOM 741 CG ARG A 283 -1.744 -9.849 -1.104 1.00 0.00 C ATOM 742 CD ARG A 283 -0.747 -10.588 -1.975 1.00 0.00 C ATOM 743 NE ARG A 283 0.311 -11.215 -1.179 1.00 0.00 N ATOM 744 CZ ARG A 283 1.063 -12.242 -1.578 1.00 0.00 C ATOM 745 NH1 ARG A 283 0.858 -12.821 -2.755 1.00 0.00 N ATOM 746 NH2 ARG A 283 2.017 -12.694 -0.774 1.00 0.00 N ATOM 0 H ARG A 283 -5.029 -8.488 -0.331 1.00 0.00 H new ATOM 0 HA ARG A 283 -2.387 -7.256 -0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 283 -3.544 -9.646 -2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 283 -2.202 -8.693 -2.846 1.00 0.00 H new ATOM 0 HG2 ARG A 283 -1.210 -9.200 -0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 283 -2.305 -10.565 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 283 -1.266 -11.351 -2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 283 -0.302 -9.894 -2.688 1.00 0.00 H new ATOM 0 HE ARG A 283 0.486 -10.837 -0.248 1.00 0.00 H new ATOM 0 HH11 ARG A 283 0.117 -12.481 -3.368 1.00 0.00 H new ATOM 0 HH12 ARG A 283 1.441 -13.605 -3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 283 2.167 -12.257 0.135 1.00 0.00 H new ATOM 0 HH22 ARG A 283 2.600 -13.479 -1.065 1.00 0.00 H new ATOM 760 N GLY A 284 -3.389 -5.783 -2.500 1.00 0.00 N ATOM 761 CA GLY A 284 -4.022 -4.798 -3.361 1.00 0.00 C ATOM 762 C GLY A 284 -3.065 -3.675 -3.744 1.00 0.00 C ATOM 763 O GLY A 284 -2.282 -3.225 -2.912 1.00 0.00 O ATOM 0 H GLY A 284 -2.446 -5.537 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 284 -4.387 -5.287 -4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 284 -4.890 -4.377 -2.853 1.00 0.00 H new ATOM 767 N HIS A 285 -3.138 -3.189 -4.981 1.00 0.00 N ATOM 768 CA HIS A 285 -2.180 -2.176 -5.452 1.00 0.00 C ATOM 769 C HIS A 285 -2.698 -0.759 -5.220 1.00 0.00 C ATOM 770 O HIS A 285 -3.901 -0.517 -5.289 1.00 0.00 O ATOM 771 CB HIS A 285 -1.839 -2.372 -6.935 1.00 0.00 C ATOM 772 CG HIS A 285 -2.955 -2.075 -7.892 1.00 0.00 C ATOM 773 ND1 HIS A 285 -3.044 -0.894 -8.593 1.00 0.00 N ATOM 774 CD2 HIS A 285 -4.015 -2.817 -8.278 1.00 0.00 C ATOM 775 CE1 HIS A 285 -4.112 -0.923 -9.366 1.00 0.00 C ATOM 776 NE2 HIS A 285 -4.719 -2.080 -9.198 1.00 0.00 N ATOM 0 H HIS A 285 -3.836 -3.470 -5.670 1.00 0.00 H new ATOM 0 HA HIS A 285 -1.270 -2.309 -4.866 1.00 0.00 H new ATOM 0 HB2 HIS A 285 -0.990 -1.735 -7.183 1.00 0.00 H new ATOM 0 HB3 HIS A 285 -1.519 -3.403 -7.084 1.00 0.00 H new ATOM 0 HD2 HIS A 285 -4.263 -3.808 -7.928 1.00 0.00 H new ATOM 0 HE1 HIS A 285 -4.435 -0.131 -10.026 1.00 0.00 H new ATOM 0 HE2 HIS A 285 -5.571 -2.379 -9.673 1.00 0.00 H new ATOM 785 N PHE A 286 -1.773 0.177 -4.969 1.00 0.00 N ATOM 786 CA PHE A 286 -2.128 1.555 -4.620 1.00 0.00 C ATOM 787 C PHE A 286 -0.930 2.512 -4.740 1.00 0.00 C ATOM 788 O PHE A 286 0.209 2.071 -4.903 1.00 0.00 O ATOM 789 CB PHE A 286 -2.668 1.587 -3.201 1.00 0.00 C ATOM 790 CG PHE A 286 -4.157 1.541 -3.137 1.00 0.00 C ATOM 791 CD1 PHE A 286 -4.916 2.542 -3.718 1.00 0.00 C ATOM 792 CD2 PHE A 286 -4.798 0.516 -2.486 1.00 0.00 C ATOM 793 CE1 PHE A 286 -6.288 2.513 -3.652 1.00 0.00 C ATOM 794 CE2 PHE A 286 -6.169 0.485 -2.413 1.00 0.00 C ATOM 795 CZ PHE A 286 -6.913 1.482 -2.992 1.00 0.00 C ATOM 0 H PHE A 286 -0.769 0.001 -5.002 1.00 0.00 H new ATOM 0 HA PHE A 286 -2.887 1.894 -5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 286 -2.261 0.742 -2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 286 -2.317 2.493 -2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 286 -4.424 3.356 -4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 286 -4.219 -0.272 -2.028 1.00 0.00 H new ATOM 0 HE1 PHE A 286 -6.871 3.295 -4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 286 -6.663 -0.326 -1.899 1.00 0.00 H new ATOM 0 HZ PHE A 286 -7.991 1.457 -2.929 1.00 0.00 H new ATOM 805 N PRO A 287 -1.170 3.848 -4.644 1.00 0.00 N ATOM 806 CA PRO A 287 -0.150 4.858 -4.856 1.00 0.00 C ATOM 807 C PRO A 287 0.408 5.422 -3.549 1.00 0.00 C ATOM 808 O PRO A 287 -0.254 5.375 -2.498 1.00 0.00 O ATOM 809 CB PRO A 287 -0.937 5.932 -5.608 1.00 0.00 C ATOM 810 CG PRO A 287 -2.371 5.763 -5.185 1.00 0.00 C ATOM 811 CD PRO A 287 -2.452 4.508 -4.349 1.00 0.00 C ATOM 0 HA PRO A 287 0.725 4.473 -5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 287 -0.572 6.929 -5.361 1.00 0.00 H new ATOM 0 HB3 PRO A 287 -0.831 5.811 -6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 287 -2.706 6.628 -4.612 1.00 0.00 H new ATOM 0 HG3 PRO A 287 -3.021 5.686 -6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 287 -2.558 4.733 -3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 287 -3.303 3.887 -4.630 1.00 0.00 H new ATOM 819 N PHE A 288 1.618 5.963 -3.620 1.00 0.00 N ATOM 820 CA PHE A 288 2.286 6.496 -2.440 1.00 0.00 C ATOM 821 C PHE A 288 1.897 7.957 -2.200 1.00 0.00 C ATOM 822 O PHE A 288 2.226 8.533 -1.163 1.00 0.00 O ATOM 823 CB PHE A 288 3.812 6.359 -2.574 1.00 0.00 C ATOM 824 CG PHE A 288 4.478 7.521 -3.257 1.00 0.00 C ATOM 825 CD1 PHE A 288 4.106 7.883 -4.534 1.00 0.00 C ATOM 826 CD2 PHE A 288 5.472 8.247 -2.620 1.00 0.00 C ATOM 827 CE1 PHE A 288 4.705 8.951 -5.174 1.00 0.00 C ATOM 828 CE2 PHE A 288 6.078 9.317 -3.252 1.00 0.00 C ATOM 829 CZ PHE A 288 5.693 9.670 -4.530 1.00 0.00 C ATOM 0 H PHE A 288 2.156 6.044 -4.482 1.00 0.00 H new ATOM 0 HA PHE A 288 1.960 5.914 -1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 288 4.243 6.240 -1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 288 4.036 5.448 -3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 288 3.335 7.323 -5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 288 5.776 7.974 -1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 288 4.402 9.223 -6.174 1.00 0.00 H new ATOM 0 HE2 PHE A 288 6.852 9.876 -2.747 1.00 0.00 H new ATOM 0 HZ PHE A 288 6.163 10.507 -5.025 1.00 0.00 H new ATOM 839 N THR A 289 1.193 8.542 -3.167 1.00 0.00 N ATOM 840 CA THR A 289 0.782 9.940 -3.093 1.00 0.00 C ATOM 841 C THR A 289 -0.019 10.232 -1.820 1.00 0.00 C ATOM 842 O THR A 289 0.061 11.324 -1.265 1.00 0.00 O ATOM 843 CB THR A 289 -0.031 10.350 -4.342 1.00 0.00 C ATOM 844 OG1 THR A 289 -0.392 11.733 -4.269 1.00 0.00 O ATOM 845 CG2 THR A 289 -1.284 9.498 -4.489 1.00 0.00 C ATOM 0 H THR A 289 0.894 8.064 -4.017 1.00 0.00 H new ATOM 0 HA THR A 289 1.693 10.537 -3.060 1.00 0.00 H new ATOM 0 HB THR A 289 0.599 10.188 -5.217 1.00 0.00 H new ATOM 0 HG1 THR A 289 -0.905 11.980 -5.067 1.00 0.00 H new ATOM 0 HG21 THR A 289 -1.834 9.810 -5.376 1.00 0.00 H new ATOM 0 HG22 THR A 289 -1.002 8.450 -4.587 1.00 0.00 H new ATOM 0 HG23 THR A 289 -1.914 9.623 -3.608 1.00 0.00 H new ATOM 853 N HIS A 290 -0.782 9.253 -1.348 1.00 0.00 N ATOM 854 CA HIS A 290 -1.497 9.407 -0.093 1.00 0.00 C ATOM 855 C HIS A 290 -1.072 8.354 0.920 1.00 0.00 C ATOM 856 O HIS A 290 -1.891 7.599 1.449 1.00 0.00 O ATOM 857 CB HIS A 290 -3.024 9.463 -0.289 1.00 0.00 C ATOM 858 CG HIS A 290 -3.648 8.486 -1.240 1.00 0.00 C ATOM 859 ND1 HIS A 290 -4.704 8.847 -2.044 1.00 0.00 N ATOM 860 CD2 HIS A 290 -3.441 7.171 -1.468 1.00 0.00 C ATOM 861 CE1 HIS A 290 -5.128 7.803 -2.716 1.00 0.00 C ATOM 862 NE2 HIS A 290 -4.380 6.766 -2.393 1.00 0.00 N ATOM 0 H HIS A 290 -0.919 8.355 -1.811 1.00 0.00 H new ATOM 0 HA HIS A 290 -1.218 10.376 0.321 1.00 0.00 H new ATOM 0 HB2 HIS A 290 -3.491 9.325 0.686 1.00 0.00 H new ATOM 0 HB3 HIS A 290 -3.281 10.467 -0.626 1.00 0.00 H new ATOM 0 HD1 HIS A 290 -5.098 9.786 -2.108 1.00 0.00 H new ATOM 0 HD2 HIS A 290 -2.682 6.553 -1.011 1.00 0.00 H new ATOM 0 HE1 HIS A 290 -5.951 7.794 -3.416 1.00 0.00 H new ATOM 871 N VAL A 291 0.239 8.308 1.162 1.00 0.00 N ATOM 872 CA VAL A 291 0.822 7.518 2.243 1.00 0.00 C ATOM 873 C VAL A 291 2.058 8.219 2.785 1.00 0.00 C ATOM 874 O VAL A 291 2.535 9.208 2.226 1.00 0.00 O ATOM 875 CB VAL A 291 1.249 6.083 1.829 1.00 0.00 C ATOM 876 CG1 VAL A 291 0.136 5.343 1.141 1.00 0.00 C ATOM 877 CG2 VAL A 291 2.502 6.103 0.981 1.00 0.00 C ATOM 0 H VAL A 291 0.927 8.820 0.611 1.00 0.00 H new ATOM 0 HA VAL A 291 0.032 7.428 2.989 1.00 0.00 H new ATOM 0 HB VAL A 291 1.477 5.540 2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 291 0.477 4.344 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -0.718 5.264 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -0.159 5.884 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.773 5.083 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.320 6.684 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 291 3.316 6.556 1.546 1.00 0.00 H new ATOM 887 N ARG A 292 2.558 7.678 3.862 1.00 0.00 N ATOM 888 CA ARG A 292 3.820 8.084 4.436 1.00 0.00 C ATOM 889 C ARG A 292 4.697 6.851 4.496 1.00 0.00 C ATOM 890 O ARG A 292 4.459 5.931 5.272 1.00 0.00 O ATOM 891 CB ARG A 292 3.646 8.704 5.825 1.00 0.00 C ATOM 892 CG ARG A 292 4.949 9.241 6.396 1.00 0.00 C ATOM 893 CD ARG A 292 5.581 10.256 5.456 1.00 0.00 C ATOM 894 NE ARG A 292 6.960 10.568 5.823 1.00 0.00 N ATOM 895 CZ ARG A 292 7.983 10.527 4.971 1.00 0.00 C ATOM 896 NH1 ARG A 292 7.787 10.183 3.701 1.00 0.00 N ATOM 897 NH2 ARG A 292 9.204 10.827 5.391 1.00 0.00 N ATOM 0 H ARG A 292 2.095 6.929 4.377 1.00 0.00 H new ATOM 0 HA ARG A 292 4.278 8.858 3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 292 2.918 9.513 5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 292 3.238 7.955 6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 292 4.762 9.705 7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 292 5.642 8.417 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 292 5.557 9.869 4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 292 4.990 11.172 5.463 1.00 0.00 H new ATOM 0 HE ARG A 292 7.151 10.833 6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 292 6.849 9.949 3.375 1.00 0.00 H new ATOM 0 HH12 ARG A 292 8.574 10.153 3.053 1.00 0.00 H new ATOM 0 HH21 ARG A 292 9.358 11.088 6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 292 9.989 10.796 4.740 1.00 0.00 H new ATOM 911 N LEU A 293 5.689 6.834 3.653 1.00 0.00 N ATOM 912 CA LEU A 293 6.414 5.648 3.349 1.00 0.00 C ATOM 913 C LEU A 293 7.531 5.353 4.339 1.00 0.00 C ATOM 914 O LEU A 293 8.414 6.182 4.572 1.00 0.00 O ATOM 915 CB LEU A 293 6.958 5.870 1.967 1.00 0.00 C ATOM 916 CG LEU A 293 6.966 4.659 1.077 1.00 0.00 C ATOM 917 CD1 LEU A 293 5.550 4.177 0.827 1.00 0.00 C ATOM 918 CD2 LEU A 293 7.678 4.970 -0.224 1.00 0.00 C ATOM 0 H LEU A 293 6.017 7.660 3.153 1.00 0.00 H new ATOM 0 HA LEU A 293 5.764 4.775 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 293 6.371 6.651 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 293 7.978 6.245 2.052 1.00 0.00 H new ATOM 0 HG LEU A 293 7.509 3.857 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 293 5.573 3.300 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 293 5.081 3.917 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 293 4.976 4.968 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 293 7.677 4.085 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 293 7.164 5.784 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 293 8.706 5.265 -0.015 1.00 0.00 H new ATOM 930 N LEU A 294 7.472 4.167 4.927 1.00 0.00 N ATOM 931 CA LEU A 294 8.556 3.647 5.719 1.00 0.00 C ATOM 932 C LEU A 294 9.496 2.900 4.778 1.00 0.00 C ATOM 933 O LEU A 294 9.058 2.068 3.970 1.00 0.00 O ATOM 934 CB LEU A 294 8.042 2.704 6.812 1.00 0.00 C ATOM 935 CG LEU A 294 6.740 3.104 7.513 1.00 0.00 C ATOM 936 CD1 LEU A 294 6.489 2.206 8.714 1.00 0.00 C ATOM 937 CD2 LEU A 294 6.784 4.555 7.931 1.00 0.00 C ATOM 0 H LEU A 294 6.667 3.544 4.863 1.00 0.00 H new ATOM 0 HA LEU A 294 9.075 4.465 6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 294 7.901 1.717 6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 294 8.820 2.606 7.570 1.00 0.00 H new ATOM 0 HG LEU A 294 5.916 2.978 6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 294 5.560 2.502 9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 294 6.411 1.170 8.384 1.00 0.00 H new ATOM 0 HD13 LEU A 294 7.315 2.301 9.418 1.00 0.00 H new ATOM 0 HD21 LEU A 294 5.850 4.819 8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 294 7.616 4.711 8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 294 6.918 5.183 7.050 1.00 0.00 H new