USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 569 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 Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc=-0.00227 (180deg=-0.00683) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 89:sc= 1 USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -176:sc= -1.48 (180deg=-1.63) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 MET CE :methyl -166:sc=-0.00269 (180deg=-0.29) USER MOD Single : A 146 ASN : amide:sc= 0.0908 X(o=0.091,f=0) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= -0.0616 X(o=-0.062,f=-0.023) USER MOD Single : A 170 MET CE :methyl -149:sc= -0.19 (180deg=-1.16) USER MOD Single : A 172 MET CE :methyl 148:sc= -0.239 (180deg=-2.61!) USER MOD Single : A 177 LYS NZ :NH3+ -120:sc= 0.079 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N GLN A 92 -0.685 12.749 9.368 1.00 0.00 N ATOM 36 CA GLN A 92 0.690 12.743 8.959 1.00 0.00 C ATOM 37 C GLN A 92 0.792 11.893 7.750 1.00 0.00 C ATOM 38 O GLN A 92 -0.140 11.156 7.454 1.00 0.00 O ATOM 39 CB GLN A 92 1.575 12.068 10.006 1.00 0.00 C ATOM 40 CG GLN A 92 1.248 12.484 11.444 1.00 0.00 C ATOM 41 CD GLN A 92 1.499 13.976 11.641 1.00 0.00 C ATOM 42 OE1 GLN A 92 2.626 14.468 11.522 1.00 0.00 O ATOM 43 NE2 GLN A 92 0.384 14.698 11.965 1.00 0.00 N ATOM 0 HA GLN A 92 1.007 13.774 8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.470 10.987 9.916 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.618 12.305 9.796 1.00 0.00 H new ATOM 0 HG2 GLN A 92 0.207 12.252 11.668 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.859 11.912 12.142 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.519 14.232 12.048 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.456 15.703 12.124 1.00 0.00 H new ATOM 52 N VAL A 93 1.939 11.936 7.042 1.00 0.00 N ATOM 53 CA VAL A 93 2.249 10.876 6.126 1.00 0.00 C ATOM 54 C VAL A 93 3.247 9.999 6.782 1.00 0.00 C ATOM 55 O VAL A 93 4.393 10.400 6.984 1.00 0.00 O ATOM 56 CB VAL A 93 2.822 11.283 4.795 1.00 0.00 C ATOM 57 CG1 VAL A 93 3.234 10.018 4.025 1.00 0.00 C ATOM 58 CG2 VAL A 93 1.690 11.840 3.945 1.00 0.00 C ATOM 0 H VAL A 93 2.634 12.681 7.099 1.00 0.00 H new ATOM 0 HA VAL A 93 1.294 10.401 5.902 1.00 0.00 H new ATOM 0 HB VAL A 93 3.643 11.980 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.651 10.300 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.983 9.471 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.360 9.384 3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.080 12.143 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.927 11.074 3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.251 12.703 4.445 1.00 0.00 H new ATOM 68 N LYS A 94 2.837 8.748 7.068 1.00 0.00 N ATOM 69 CA LYS A 94 3.796 7.688 7.227 1.00 0.00 C ATOM 70 C LYS A 94 3.685 6.779 6.060 1.00 0.00 C ATOM 71 O LYS A 94 2.895 7.031 5.159 1.00 0.00 O ATOM 72 CB LYS A 94 3.556 6.884 8.484 1.00 0.00 C ATOM 73 CG LYS A 94 3.414 7.796 9.705 1.00 0.00 C ATOM 74 CD LYS A 94 4.749 8.430 10.120 1.00 0.00 C ATOM 75 CE LYS A 94 4.756 8.956 11.557 1.00 0.00 C ATOM 76 NZ LYS A 94 3.769 10.040 11.712 1.00 0.00 N ATOM 0 H LYS A 94 1.863 8.470 7.188 1.00 0.00 H new ATOM 0 HA LYS A 94 4.787 8.137 7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.654 6.284 8.368 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.383 6.191 8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.694 8.584 9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.013 7.221 10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.543 7.691 10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.979 9.251 9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.527 8.145 12.249 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.751 9.322 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.809 10.410 12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.985 10.805 11.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.815 9.671 11.521 1.00 0.00 H new ATOM 90 N GLU A 95 4.515 5.718 6.045 1.00 0.00 N ATOM 91 CA GLU A 95 4.666 4.892 4.884 1.00 0.00 C ATOM 92 C GLU A 95 4.854 3.448 5.282 1.00 0.00 C ATOM 93 O GLU A 95 5.280 3.155 6.399 1.00 0.00 O ATOM 94 CB GLU A 95 5.927 5.351 4.151 1.00 0.00 C ATOM 95 CG GLU A 95 6.135 4.899 2.703 1.00 0.00 C ATOM 96 CD GLU A 95 7.459 5.468 2.213 1.00 0.00 C ATOM 97 OE1 GLU A 95 7.586 6.721 2.164 1.00 0.00 O ATOM 98 OE2 GLU A 95 8.359 4.654 1.873 1.00 0.00 O ATOM 0 H GLU A 95 5.084 5.431 6.841 1.00 0.00 H new ATOM 0 HA GLU A 95 3.778 4.976 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.939 6.441 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.788 5.016 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.143 3.811 2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.316 5.248 2.074 1.00 0.00 H new ATOM 105 N ILE A 96 4.562 2.518 4.340 1.00 0.00 N ATOM 106 CA ILE A 96 4.920 1.125 4.417 1.00 0.00 C ATOM 107 C ILE A 96 5.444 0.811 3.041 1.00 0.00 C ATOM 108 O ILE A 96 5.157 1.561 2.110 1.00 0.00 O ATOM 109 CB ILE A 96 3.729 0.244 4.778 1.00 0.00 C ATOM 110 CG1 ILE A 96 4.129 -0.947 5.676 1.00 0.00 C ATOM 111 CG2 ILE A 96 2.942 -0.214 3.539 1.00 0.00 C ATOM 112 CD1 ILE A 96 4.491 -0.545 7.108 1.00 0.00 C ATOM 0 H ILE A 96 4.053 2.749 3.487 1.00 0.00 H new ATOM 0 HA ILE A 96 5.652 0.931 5.201 1.00 0.00 H new ATOM 0 HB ILE A 96 3.056 0.869 5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.306 -1.661 5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.979 -1.460 5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.105 -0.838 3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.565 0.658 3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.597 -0.787 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.761 -1.434 7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.335 0.145 7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.635 -0.059 7.577 1.00 0.00 H new ATOM 124 N LYS A 97 6.199 -0.303 2.866 1.00 0.00 N ATOM 125 CA LYS A 97 6.448 -0.813 1.535 1.00 0.00 C ATOM 126 C LYS A 97 5.950 -2.213 1.386 1.00 0.00 C ATOM 127 O LYS A 97 5.810 -2.942 2.367 1.00 0.00 O ATOM 128 CB LYS A 97 7.903 -0.831 1.054 1.00 0.00 C ATOM 129 CG LYS A 97 8.579 0.544 1.082 1.00 0.00 C ATOM 130 CD LYS A 97 9.732 0.656 0.077 1.00 0.00 C ATOM 131 CE LYS A 97 10.299 2.074 -0.018 1.00 0.00 C ATOM 132 NZ LYS A 97 11.351 2.137 -1.055 1.00 0.00 N ATOM 0 H LYS A 97 6.627 -0.839 3.621 1.00 0.00 H new ATOM 0 HA LYS A 97 5.910 -0.090 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.474 -1.519 1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.935 -1.221 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.838 1.313 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.957 0.738 2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.528 -0.030 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.382 0.343 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.501 2.777 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.710 2.374 0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.727 3.105 -1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.119 1.480 -0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.947 1.871 -1.976 1.00 0.00 H new ATOM 146 N PHE A 98 5.689 -2.615 0.117 1.00 0.00 N ATOM 147 CA PHE A 98 5.337 -3.952 -0.243 1.00 0.00 C ATOM 148 C PHE A 98 6.118 -4.252 -1.476 1.00 0.00 C ATOM 149 O PHE A 98 5.723 -3.844 -2.563 1.00 0.00 O ATOM 150 CB PHE A 98 3.857 -4.092 -0.611 1.00 0.00 C ATOM 151 CG PHE A 98 3.054 -4.070 0.619 1.00 0.00 C ATOM 152 CD1 PHE A 98 3.198 -5.033 1.582 1.00 0.00 C ATOM 153 CD2 PHE A 98 2.096 -3.119 0.756 1.00 0.00 C ATOM 154 CE1 PHE A 98 2.436 -4.973 2.735 1.00 0.00 C ATOM 155 CE2 PHE A 98 1.293 -3.069 1.869 1.00 0.00 C ATOM 156 CZ PHE A 98 1.436 -4.026 2.859 1.00 0.00 C ATOM 0 H PHE A 98 5.727 -1.980 -0.680 1.00 0.00 H new ATOM 0 HA PHE A 98 5.539 -4.615 0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.555 -3.280 -1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.690 -5.023 -1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.905 -5.837 1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.962 -2.386 -0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.623 -5.668 3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.554 -2.288 1.971 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.777 -4.033 3.715 1.00 0.00 H new ATOM 166 N ARG A 99 7.242 -4.984 -1.337 1.00 0.00 N ATOM 167 CA ARG A 99 8.087 -5.375 -2.427 1.00 0.00 C ATOM 168 C ARG A 99 7.550 -6.654 -3.036 1.00 0.00 C ATOM 169 O ARG A 99 6.636 -7.243 -2.460 1.00 0.00 O ATOM 170 CB ARG A 99 9.509 -5.571 -1.850 1.00 0.00 C ATOM 171 CG ARG A 99 9.639 -6.705 -0.825 1.00 0.00 C ATOM 172 CD ARG A 99 11.026 -6.839 -0.200 1.00 0.00 C ATOM 173 NE ARG A 99 10.921 -7.948 0.793 1.00 0.00 N ATOM 174 CZ ARG A 99 11.909 -8.183 1.705 1.00 0.00 C ATOM 175 NH1 ARG A 99 13.044 -7.426 1.705 1.00 0.00 N ATOM 176 NH2 ARG A 99 11.756 -9.181 2.624 1.00 0.00 N ATOM 0 H ARG A 99 7.574 -5.316 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 99 8.114 -4.623 -3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.196 -5.765 -2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.827 -4.639 -1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.910 -6.544 -0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.380 -7.647 -1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.776 -7.063 -0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 99 11.329 -5.910 0.283 1.00 0.00 H new ATOM 0 HE ARG A 99 10.093 -8.543 0.790 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.159 -6.679 1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.778 -7.607 2.390 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.907 -9.746 2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.491 -9.361 3.308 1.00 0.00 H new ATOM 259 N ASP A 106 4.846 -12.832 5.096 1.00 0.00 N ATOM 260 CA ASP A 106 5.588 -11.646 5.361 1.00 0.00 C ATOM 261 C ASP A 106 4.671 -10.480 5.352 1.00 0.00 C ATOM 262 O ASP A 106 4.882 -9.462 6.010 1.00 0.00 O ATOM 263 CB ASP A 106 6.543 -11.467 4.185 1.00 0.00 C ATOM 264 CG ASP A 106 7.544 -10.356 4.462 1.00 0.00 C ATOM 265 OD1 ASP A 106 8.225 -10.427 5.520 1.00 0.00 O ATOM 266 OD2 ASP A 106 7.658 -9.428 3.618 1.00 0.00 O ATOM 0 HA ASP A 106 6.100 -11.716 6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 106 7.073 -12.401 3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 106 5.976 -11.235 3.283 1.00 0.00 H new ATOM 271 N TYR A 107 3.676 -10.645 4.478 1.00 0.00 N ATOM 272 CA TYR A 107 2.858 -9.581 3.951 1.00 0.00 C ATOM 273 C TYR A 107 1.884 -9.063 4.928 1.00 0.00 C ATOM 274 O TYR A 107 2.034 -7.925 5.349 1.00 0.00 O ATOM 275 CB TYR A 107 2.164 -10.132 2.698 1.00 0.00 C ATOM 276 CG TYR A 107 1.252 -9.327 1.867 1.00 0.00 C ATOM 277 CD1 TYR A 107 1.100 -7.967 2.009 1.00 0.00 C ATOM 278 CD2 TYR A 107 0.476 -10.026 0.956 1.00 0.00 C ATOM 279 CE1 TYR A 107 -0.042 -7.377 1.535 1.00 0.00 C ATOM 280 CE2 TYR A 107 -0.557 -9.391 0.312 1.00 0.00 C ATOM 281 CZ TYR A 107 -0.852 -8.103 0.697 1.00 0.00 C ATOM 282 OH TYR A 107 -2.031 -7.516 0.285 1.00 0.00 O ATOM 0 H TYR A 107 3.418 -11.562 4.112 1.00 0.00 H new ATOM 0 HA TYR A 107 3.486 -8.724 3.707 1.00 0.00 H new ATOM 0 HB2 TYR A 107 2.955 -10.485 2.036 1.00 0.00 H new ATOM 0 HB3 TYR A 107 1.600 -11.008 3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 107 1.867 -7.375 2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 107 0.683 -11.066 0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.299 -6.366 1.814 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -1.118 -9.884 -0.468 1.00 0.00 H new ATOM 0 HH TYR A 107 -1.873 -7.007 -0.537 1.00 0.00 H new ATOM 292 N GLN A 108 0.842 -9.840 5.257 1.00 0.00 N ATOM 293 CA GLN A 108 -0.140 -9.538 6.240 1.00 0.00 C ATOM 294 C GLN A 108 0.276 -9.341 7.669 1.00 0.00 C ATOM 295 O GLN A 108 -0.486 -8.794 8.469 1.00 0.00 O ATOM 296 CB GLN A 108 -1.395 -10.396 6.109 1.00 0.00 C ATOM 297 CG GLN A 108 -1.552 -11.239 4.836 1.00 0.00 C ATOM 298 CD GLN A 108 -2.263 -10.399 3.768 1.00 0.00 C ATOM 299 OE1 GLN A 108 -1.743 -9.159 3.523 1.00 0.00 O flip ATOM 300 NE2 GLN A 108 -3.256 -10.843 3.179 1.00 0.00 N flip ATOM 0 H GLN A 108 0.677 -10.739 4.804 1.00 0.00 H new ATOM 0 HA GLN A 108 -0.372 -8.510 5.961 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -1.431 -11.070 6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -2.261 -9.738 6.185 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.575 -11.561 4.474 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -2.126 -12.141 5.050 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -3.605 -11.776 3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -3.726 -10.276 2.473 1.00 0.00 H new ATOM 309 N VAL A 109 1.515 -9.747 7.992 1.00 0.00 N ATOM 310 CA VAL A 109 2.225 -9.305 9.178 1.00 0.00 C ATOM 311 C VAL A 109 2.403 -7.806 9.128 1.00 0.00 C ATOM 312 O VAL A 109 2.172 -7.087 10.097 1.00 0.00 O ATOM 313 CB VAL A 109 3.590 -9.957 9.326 1.00 0.00 C ATOM 314 CG1 VAL A 109 4.378 -9.387 10.523 1.00 0.00 C ATOM 315 CG2 VAL A 109 3.383 -11.471 9.490 1.00 0.00 C ATOM 0 H VAL A 109 2.049 -10.401 7.420 1.00 0.00 H new ATOM 0 HA VAL A 109 1.624 -9.601 10.038 1.00 0.00 H new ATOM 0 HB VAL A 109 4.182 -9.745 8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 109 5.347 -9.882 10.590 1.00 0.00 H new ATOM 0 HG12 VAL A 109 4.527 -8.316 10.384 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.818 -9.559 11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 109 4.351 -11.961 9.598 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.779 -11.662 10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.873 -11.866 8.611 1.00 0.00 H new ATOM 325 N LYS A 110 2.863 -7.287 7.980 1.00 0.00 N ATOM 326 CA LYS A 110 3.042 -5.879 7.768 1.00 0.00 C ATOM 327 C LYS A 110 1.875 -5.182 7.169 1.00 0.00 C ATOM 328 O LYS A 110 1.941 -3.992 6.863 1.00 0.00 O ATOM 329 CB LYS A 110 4.280 -5.625 6.938 1.00 0.00 C ATOM 330 CG LYS A 110 5.544 -6.024 7.706 1.00 0.00 C ATOM 331 CD LYS A 110 5.629 -5.646 9.192 1.00 0.00 C ATOM 332 CE LYS A 110 6.944 -6.070 9.849 1.00 0.00 C ATOM 333 NZ LYS A 110 6.933 -5.697 11.281 1.00 0.00 N ATOM 0 H LYS A 110 3.119 -7.857 7.174 1.00 0.00 H new ATOM 0 HA LYS A 110 3.155 -5.453 8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.221 -6.190 6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.331 -4.570 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.655 -7.106 7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.399 -5.579 7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.512 -4.567 9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.798 -6.108 9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.082 -7.146 9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.784 -5.591 9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.829 -5.987 11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.821 -4.667 11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.141 -6.174 11.758 1.00 0.00 H new ATOM 347 N LEU A 111 0.759 -5.909 7.051 1.00 0.00 N ATOM 348 CA LEU A 111 -0.512 -5.315 6.858 1.00 0.00 C ATOM 349 C LEU A 111 -0.967 -4.968 8.229 1.00 0.00 C ATOM 350 O LEU A 111 -1.647 -3.962 8.381 1.00 0.00 O ATOM 351 CB LEU A 111 -1.487 -6.250 6.146 1.00 0.00 C ATOM 352 CG LEU A 111 -2.722 -5.599 5.519 1.00 0.00 C ATOM 353 CD1 LEU A 111 -3.136 -6.423 4.304 1.00 0.00 C ATOM 354 CD2 LEU A 111 -3.904 -5.490 6.482 1.00 0.00 C ATOM 0 H LEU A 111 0.741 -6.928 7.091 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.460 -4.441 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.944 -6.777 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.823 -7.001 6.861 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.451 -4.580 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.016 -5.974 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -2.319 -6.444 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.370 -7.441 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.746 -5.020 5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.193 -6.486 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.617 -4.886 7.343 1.00 0.00 H new ATOM 366 N ARG A 112 -0.585 -5.783 9.253 1.00 0.00 N ATOM 367 CA ARG A 112 -0.750 -5.434 10.639 1.00 0.00 C ATOM 368 C ARG A 112 0.042 -4.197 10.974 1.00 0.00 C ATOM 369 O ARG A 112 -0.488 -3.321 11.673 1.00 0.00 O ATOM 370 CB ARG A 112 -0.438 -6.558 11.643 1.00 0.00 C ATOM 371 CG ARG A 112 -1.078 -6.345 13.023 1.00 0.00 C ATOM 372 CD ARG A 112 -0.825 -7.519 13.974 1.00 0.00 C ATOM 373 NE ARG A 112 -1.503 -7.223 15.274 1.00 0.00 N ATOM 374 CZ ARG A 112 -0.860 -6.616 16.317 1.00 0.00 C ATOM 375 NH1 ARG A 112 0.448 -6.245 16.219 1.00 0.00 N ATOM 376 NH2 ARG A 112 -1.542 -6.376 17.476 1.00 0.00 N ATOM 0 H ARG A 112 -0.156 -6.697 9.109 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.817 -5.242 10.751 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.785 -7.506 11.233 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.643 -6.638 11.761 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.683 -5.431 13.466 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.152 -6.203 12.904 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.211 -8.444 13.546 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.245 -7.660 14.127 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.483 -7.484 15.387 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.964 -6.419 15.357 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.910 -5.793 17.008 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.521 -6.649 17.557 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.072 -5.924 18.260 1.00 0.00 H new ATOM 390 N SER A 113 1.316 -4.087 10.473 1.00 0.00 N ATOM 391 CA SER A 113 2.059 -2.890 10.687 1.00 0.00 C ATOM 392 C SER A 113 1.403 -1.689 10.072 1.00 0.00 C ATOM 393 O SER A 113 1.362 -0.628 10.688 1.00 0.00 O ATOM 394 CB SER A 113 3.511 -2.958 10.235 1.00 0.00 C ATOM 395 OG SER A 113 4.208 -1.781 10.610 1.00 0.00 O ATOM 0 H SER A 113 1.799 -4.811 9.941 1.00 0.00 H new ATOM 0 HA SER A 113 2.065 -2.783 11.772 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.994 -3.829 10.677 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.555 -3.084 9.153 1.00 0.00 H new ATOM 0 HG SER A 113 5.140 -1.844 10.312 1.00 0.00 H new ATOM 401 N LEU A 114 0.854 -1.824 8.847 1.00 0.00 N ATOM 402 CA LEU A 114 0.216 -0.791 8.148 1.00 0.00 C ATOM 403 C LEU A 114 -1.114 -0.381 8.753 1.00 0.00 C ATOM 404 O LEU A 114 -1.474 0.787 8.580 1.00 0.00 O ATOM 405 CB LEU A 114 0.132 -1.294 6.709 1.00 0.00 C ATOM 406 CG LEU A 114 -0.621 -0.379 5.769 1.00 0.00 C ATOM 407 CD1 LEU A 114 0.029 1.006 5.595 1.00 0.00 C ATOM 408 CD2 LEU A 114 -0.893 -1.103 4.455 1.00 0.00 C ATOM 0 H LEU A 114 0.866 -2.706 8.335 1.00 0.00 H new ATOM 0 HA LEU A 114 0.774 0.144 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 114 1.143 -1.435 6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.349 -2.272 6.707 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.582 -0.145 6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.568 1.604 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.081 1.508 6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.035 0.888 5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.436 -0.441 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.053 -1.393 3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.491 -1.994 4.647 1.00 0.00 H new ATOM 420 N ILE A 115 -1.874 -1.296 9.441 1.00 0.00 N ATOM 421 CA ILE A 115 -3.034 -0.911 10.210 1.00 0.00 C ATOM 422 C ILE A 115 -2.606 0.116 11.177 1.00 0.00 C ATOM 423 O ILE A 115 -3.222 1.169 11.228 1.00 0.00 O ATOM 424 CB ILE A 115 -3.736 -1.907 11.124 1.00 0.00 C ATOM 425 CG1 ILE A 115 -3.901 -3.337 10.608 1.00 0.00 C ATOM 426 CG2 ILE A 115 -5.099 -1.284 11.439 1.00 0.00 C ATOM 427 CD1 ILE A 115 -4.680 -3.452 9.318 1.00 0.00 C ATOM 0 H ILE A 115 -1.676 -2.297 9.457 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.733 -0.664 9.411 1.00 0.00 H new ATOM 0 HB ILE A 115 -3.097 -2.056 11.994 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -2.913 -3.773 10.461 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.401 -3.931 11.374 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -5.660 -1.949 12.095 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.954 -0.324 11.934 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -5.654 -1.135 10.513 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.748 -4.500 9.026 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.683 -3.050 9.461 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -4.172 -2.890 8.535 1.00 0.00 H new ATOM 439 N ARG A 116 -1.554 -0.221 11.950 1.00 0.00 N ATOM 440 CA ARG A 116 -0.946 0.528 13.012 1.00 0.00 C ATOM 441 C ARG A 116 -0.700 1.950 12.618 1.00 0.00 C ATOM 442 O ARG A 116 -1.086 2.843 13.364 1.00 0.00 O ATOM 443 CB ARG A 116 0.372 -0.132 13.446 1.00 0.00 C ATOM 444 CG ARG A 116 0.594 -0.223 14.958 1.00 0.00 C ATOM 445 CD ARG A 116 1.832 -1.057 15.318 1.00 0.00 C ATOM 446 NE ARG A 116 1.621 -2.444 14.799 1.00 0.00 N ATOM 447 CZ ARG A 116 2.654 -3.332 14.698 1.00 0.00 C ATOM 448 NH1 ARG A 116 3.894 -3.007 15.164 1.00 0.00 N ATOM 449 NH2 ARG A 116 2.443 -4.551 14.119 1.00 0.00 N ATOM 0 H ARG A 116 -1.081 -1.114 11.814 1.00 0.00 H new ATOM 0 HA ARG A 116 -1.642 0.529 13.851 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.409 -1.138 13.029 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.200 0.425 13.007 1.00 0.00 H new ATOM 0 HG2 ARG A 116 0.704 0.781 15.368 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -0.286 -0.664 15.426 1.00 0.00 H new ATOM 0 HD2 ARG A 116 2.728 -0.618 14.879 1.00 0.00 H new ATOM 0 HD3 ARG A 116 1.980 -1.072 16.398 1.00 0.00 H new ATOM 0 HE ARG A 116 0.685 -2.733 14.514 1.00 0.00 H new ATOM 0 HH11 ARG A 116 4.055 -2.095 15.592 1.00 0.00 H new ATOM 0 HH12 ARG A 116 4.660 -3.676 15.085 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.518 -4.794 13.765 1.00 0.00 H new ATOM 0 HH22 ARG A 116 3.211 -5.218 14.041 1.00 0.00 H new ATOM 463 N PHE A 117 -0.084 2.168 11.428 1.00 0.00 N ATOM 464 CA PHE A 117 0.099 3.486 10.836 1.00 0.00 C ATOM 465 C PHE A 117 -1.145 4.257 10.628 1.00 0.00 C ATOM 466 O PHE A 117 -1.249 5.387 11.098 1.00 0.00 O ATOM 467 CB PHE A 117 0.743 3.444 9.459 1.00 0.00 C ATOM 468 CG PHE A 117 2.152 3.233 9.768 1.00 0.00 C ATOM 469 CD1 PHE A 117 2.865 4.296 10.231 1.00 0.00 C ATOM 470 CD2 PHE A 117 2.696 1.984 9.749 1.00 0.00 C ATOM 471 CE1 PHE A 117 4.167 4.130 10.658 1.00 0.00 C ATOM 472 CE2 PHE A 117 3.988 1.787 10.187 1.00 0.00 C ATOM 473 CZ PHE A 117 4.732 2.867 10.628 1.00 0.00 C ATOM 0 H PHE A 117 0.299 1.413 10.858 1.00 0.00 H new ATOM 0 HA PHE A 117 0.733 3.965 11.582 1.00 0.00 H new ATOM 0 HB2 PHE A 117 0.338 2.638 8.847 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.584 4.372 8.910 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.409 5.275 10.264 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.114 1.148 9.390 1.00 0.00 H new ATOM 0 HE1 PHE A 117 4.738 4.976 11.011 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.417 0.796 10.186 1.00 0.00 H new ATOM 0 HZ PHE A 117 5.753 2.724 10.949 1.00 0.00 H new ATOM 483 N LEU A 118 -2.099 3.660 9.896 1.00 0.00 N ATOM 484 CA LEU A 118 -3.402 4.235 9.694 1.00 0.00 C ATOM 485 C LEU A 118 -4.177 4.596 10.943 1.00 0.00 C ATOM 486 O LEU A 118 -4.955 5.548 10.956 1.00 0.00 O ATOM 487 CB LEU A 118 -4.362 3.307 9.025 1.00 0.00 C ATOM 488 CG LEU A 118 -4.982 4.061 7.866 1.00 0.00 C ATOM 489 CD1 LEU A 118 -4.293 3.733 6.556 1.00 0.00 C ATOM 490 CD2 LEU A 118 -6.460 3.815 7.917 1.00 0.00 C ATOM 0 H LEU A 118 -1.969 2.761 9.433 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.122 5.114 9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.849 2.413 8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -5.130 2.978 9.725 1.00 0.00 H new ATOM 0 HG LEU A 118 -4.832 5.138 7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -4.764 4.292 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.240 4.006 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.379 2.665 6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -6.945 4.343 7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.654 2.746 7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.857 4.177 8.866 1.00 0.00 H new ATOM 502 N GLU A 119 -4.016 3.747 11.988 1.00 0.00 N ATOM 503 CA GLU A 119 -4.785 3.647 13.195 1.00 0.00 C ATOM 504 C GLU A 119 -4.222 4.555 14.249 1.00 0.00 C ATOM 505 O GLU A 119 -4.898 4.865 15.229 1.00 0.00 O ATOM 506 CB GLU A 119 -4.787 2.175 13.662 1.00 0.00 C ATOM 507 CG GLU A 119 -5.734 1.786 14.795 1.00 0.00 C ATOM 508 CD GLU A 119 -5.687 0.268 14.918 1.00 0.00 C ATOM 509 OE1 GLU A 119 -4.563 -0.278 15.076 1.00 0.00 O ATOM 510 OE2 GLU A 119 -6.773 -0.366 14.859 1.00 0.00 O ATOM 0 H GLU A 119 -3.263 3.059 11.978 1.00 0.00 H new ATOM 0 HA GLU A 119 -5.812 3.961 13.011 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.023 1.551 12.800 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -3.773 1.921 13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -5.430 2.258 15.730 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.748 2.124 14.582 1.00 0.00 H new ATOM 517 N GLU A 120 -2.973 5.047 14.034 1.00 0.00 N ATOM 518 CA GLU A 120 -2.453 6.204 14.727 1.00 0.00 C ATOM 519 C GLU A 120 -3.204 7.433 14.296 1.00 0.00 C ATOM 520 O GLU A 120 -3.258 8.421 15.026 1.00 0.00 O ATOM 521 CB GLU A 120 -0.979 6.557 14.419 1.00 0.00 C ATOM 522 CG GLU A 120 0.088 5.521 14.795 1.00 0.00 C ATOM 523 CD GLU A 120 -0.166 4.985 16.197 1.00 0.00 C ATOM 524 OE1 GLU A 120 -0.158 5.802 17.157 1.00 0.00 O ATOM 525 OE2 GLU A 120 -0.367 3.748 16.327 1.00 0.00 O ATOM 0 H GLU A 120 -2.316 4.636 13.370 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.555 5.937 15.779 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.896 6.753 13.350 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.741 7.488 14.934 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.077 4.701 14.077 1.00 0.00 H new ATOM 0 HG3 GLU A 120 1.078 5.974 14.746 1.00 0.00 H new ATOM 532 N GLY A 121 -3.782 7.385 13.077 1.00 0.00 N ATOM 533 CA GLY A 121 -4.443 8.471 12.446 1.00 0.00 C ATOM 534 C GLY A 121 -3.405 9.104 11.617 1.00 0.00 C ATOM 535 O GLY A 121 -3.108 10.288 11.772 1.00 0.00 O ATOM 0 H GLY A 121 -3.783 6.538 12.509 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.280 8.127 11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -4.846 9.170 13.179 1.00 0.00 H new ATOM 539 N ASP A 122 -2.822 8.294 10.714 1.00 0.00 N ATOM 540 CA ASP A 122 -1.937 8.829 9.745 1.00 0.00 C ATOM 541 C ASP A 122 -2.489 8.343 8.481 1.00 0.00 C ATOM 542 O ASP A 122 -3.354 7.472 8.436 1.00 0.00 O ATOM 543 CB ASP A 122 -0.479 8.341 9.780 1.00 0.00 C ATOM 544 CG ASP A 122 0.116 8.464 11.176 1.00 0.00 C ATOM 545 OD1 ASP A 122 -0.033 9.546 11.800 1.00 0.00 O ATOM 546 OD2 ASP A 122 0.746 7.473 11.632 1.00 0.00 O ATOM 0 H ASP A 122 -2.965 7.285 10.660 1.00 0.00 H new ATOM 0 HA ASP A 122 -1.881 9.905 9.910 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.434 7.302 9.454 1.00 0.00 H new ATOM 0 HB3 ASP A 122 0.117 8.922 9.076 1.00 0.00 H new ATOM 551 N LYS A 123 -1.957 8.943 7.425 1.00 0.00 N ATOM 552 CA LYS A 123 -2.258 8.620 6.089 1.00 0.00 C ATOM 553 C LYS A 123 -1.068 7.815 5.752 1.00 0.00 C ATOM 554 O LYS A 123 0.067 8.280 5.805 1.00 0.00 O ATOM 555 CB LYS A 123 -2.514 9.924 5.319 1.00 0.00 C ATOM 556 CG LYS A 123 -2.708 9.878 3.811 1.00 0.00 C ATOM 557 CD LYS A 123 -1.410 10.226 3.100 1.00 0.00 C ATOM 558 CE LYS A 123 -0.740 9.043 2.432 1.00 0.00 C ATOM 559 NZ LYS A 123 0.182 9.552 1.403 1.00 0.00 N ATOM 0 H LYS A 123 -1.277 9.698 7.509 1.00 0.00 H new ATOM 0 HA LYS A 123 -3.161 8.056 5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.402 10.388 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -1.676 10.592 5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -3.040 8.884 3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -3.490 10.578 3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.612 10.989 2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -0.719 10.664 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -0.197 8.449 3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.487 8.388 1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.601 8.753 0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.340 10.158 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 0.937 10.105 1.856 1.00 0.00 H new ATOM 573 N ALA A 124 -1.336 6.535 5.477 1.00 0.00 N ATOM 574 CA ALA A 124 -0.308 5.563 5.363 1.00 0.00 C ATOM 575 C ALA A 124 -0.073 5.319 3.914 1.00 0.00 C ATOM 576 O ALA A 124 -0.936 4.841 3.199 1.00 0.00 O ATOM 577 CB ALA A 124 -0.724 4.226 5.911 1.00 0.00 C ATOM 0 H ALA A 124 -2.277 6.170 5.332 1.00 0.00 H new ATOM 0 HA ALA A 124 0.558 5.941 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.096 3.517 5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -0.976 4.328 6.966 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -1.594 3.863 5.363 1.00 0.00 H new ATOM 583 N LYS A 125 1.106 5.648 3.428 1.00 0.00 N ATOM 584 CA LYS A 125 1.373 5.628 2.013 1.00 0.00 C ATOM 585 C LYS A 125 2.045 4.337 1.686 1.00 0.00 C ATOM 586 O LYS A 125 3.115 4.040 2.201 1.00 0.00 O ATOM 587 CB LYS A 125 2.365 6.769 1.682 1.00 0.00 C ATOM 588 CG LYS A 125 2.756 6.935 0.209 1.00 0.00 C ATOM 589 CD LYS A 125 3.810 8.038 -0.003 1.00 0.00 C ATOM 590 CE LYS A 125 3.247 9.460 0.005 1.00 0.00 C ATOM 591 NZ LYS A 125 4.326 10.436 -0.261 1.00 0.00 N ATOM 0 H LYS A 125 1.899 5.934 4.002 1.00 0.00 H new ATOM 0 HA LYS A 125 0.446 5.745 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 125 1.931 7.708 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.275 6.607 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 125 3.144 5.989 -0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 125 1.866 7.171 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 125 4.567 7.955 0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 125 4.313 7.865 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.466 9.555 -0.750 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.785 9.671 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.933 11.399 -0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 5.057 10.355 0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 4.748 10.242 -1.191 1.00 0.00 H new ATOM 605 N ILE A 126 1.453 3.536 0.786 1.00 0.00 N ATOM 606 CA ILE A 126 2.071 2.335 0.333 1.00 0.00 C ATOM 607 C ILE A 126 3.005 2.696 -0.769 1.00 0.00 C ATOM 608 O ILE A 126 2.656 3.454 -1.662 1.00 0.00 O ATOM 609 CB ILE A 126 1.069 1.384 -0.250 1.00 0.00 C ATOM 610 CG1 ILE A 126 -0.247 1.335 0.546 1.00 0.00 C ATOM 611 CG2 ILE A 126 1.744 0.021 -0.330 1.00 0.00 C ATOM 612 CD1 ILE A 126 -0.085 1.106 2.042 1.00 0.00 C ATOM 0 H ILE A 126 0.540 3.723 0.370 1.00 0.00 H new ATOM 0 HA ILE A 126 2.567 1.863 1.181 1.00 0.00 H new ATOM 0 HB ILE A 126 0.771 1.724 -1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.782 2.272 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -0.872 0.541 0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 126 1.048 -0.705 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 126 2.626 0.089 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 126 2.041 -0.297 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -1.067 1.087 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.418 0.154 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 126 0.510 1.912 2.471 1.00 0.00 H new ATOM 624 N THR A 127 4.229 2.156 -0.738 1.00 0.00 N ATOM 625 CA THR A 127 5.136 2.329 -1.828 1.00 0.00 C ATOM 626 C THR A 127 5.423 0.954 -2.312 1.00 0.00 C ATOM 627 O THR A 127 5.873 0.089 -1.560 1.00 0.00 O ATOM 628 CB THR A 127 6.419 2.965 -1.395 1.00 0.00 C ATOM 629 OG1 THR A 127 6.164 4.150 -0.658 1.00 0.00 O ATOM 630 CG2 THR A 127 7.327 3.264 -2.598 1.00 0.00 C ATOM 0 H THR A 127 4.593 1.601 0.037 1.00 0.00 H new ATOM 0 HA THR A 127 4.701 2.979 -2.588 1.00 0.00 H new ATOM 0 HB THR A 127 6.941 2.259 -0.749 1.00 0.00 H new ATOM 0 HG1 THR A 127 7.014 4.552 -0.381 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.251 3.726 -2.250 1.00 0.00 H new ATOM 0 HG22 THR A 127 7.559 2.335 -3.119 1.00 0.00 H new ATOM 0 HG23 THR A 127 6.816 3.944 -3.280 1.00 0.00 H new ATOM 638 N LEU A 128 5.173 0.729 -3.609 1.00 0.00 N ATOM 639 CA LEU A 128 5.648 -0.461 -4.232 1.00 0.00 C ATOM 640 C LEU A 128 7.001 -0.168 -4.717 1.00 0.00 C ATOM 641 O LEU A 128 7.339 0.982 -4.972 1.00 0.00 O ATOM 642 CB LEU A 128 4.848 -0.846 -5.451 1.00 0.00 C ATOM 643 CG LEU A 128 4.144 -2.178 -5.228 1.00 0.00 C ATOM 644 CD1 LEU A 128 2.784 -2.028 -5.882 1.00 0.00 C ATOM 645 CD2 LEU A 128 4.930 -3.467 -5.540 1.00 0.00 C ATOM 0 H LEU A 128 4.651 1.359 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 128 5.587 -1.270 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 128 4.113 -0.072 -5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 128 5.505 -0.916 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 128 4.041 -2.366 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 128 2.218 -2.952 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 128 2.243 -1.207 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 128 2.912 -1.817 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 128 4.303 -4.334 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 128 5.221 -3.471 -6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 128 5.823 -3.509 -4.916 1.00 0.00 H new ATOM 657 N ARG A 129 7.804 -1.222 -4.872 1.00 0.00 N ATOM 658 CA ARG A 129 9.150 -1.083 -5.218 1.00 0.00 C ATOM 659 C ARG A 129 9.347 -2.355 -5.907 1.00 0.00 C ATOM 660 O ARG A 129 9.638 -3.386 -5.307 1.00 0.00 O ATOM 661 CB ARG A 129 10.096 -0.951 -4.033 1.00 0.00 C ATOM 662 CG ARG A 129 11.543 -0.959 -4.538 1.00 0.00 C ATOM 663 CD ARG A 129 12.503 -0.156 -3.660 1.00 0.00 C ATOM 664 NE ARG A 129 13.898 -0.384 -4.148 1.00 0.00 N ATOM 665 CZ ARG A 129 14.451 0.341 -5.167 1.00 0.00 C ATOM 666 NH1 ARG A 129 13.744 1.315 -5.808 1.00 0.00 N ATOM 667 NH2 ARG A 129 15.739 0.083 -5.547 1.00 0.00 N ATOM 0 H ARG A 129 7.500 -2.188 -4.752 1.00 0.00 H new ATOM 0 HA ARG A 129 9.362 -0.177 -5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 129 9.893 -0.027 -3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 129 9.938 -1.772 -3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 129 11.893 -1.990 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 129 11.568 -0.557 -5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.256 0.905 -3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 129 12.411 -0.464 -2.619 1.00 0.00 H new ATOM 0 HE ARG A 129 14.460 -1.110 -3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 129 12.783 1.515 -5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 129 14.176 1.844 -6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 129 16.275 -0.643 -5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 129 16.163 0.617 -6.306 1.00 0.00 H new ATOM 681 N PHE A 130 9.120 -2.265 -7.211 1.00 0.00 N ATOM 682 CA PHE A 130 9.112 -3.385 -8.087 1.00 0.00 C ATOM 683 C PHE A 130 10.519 -3.803 -8.343 1.00 0.00 C ATOM 684 O PHE A 130 11.424 -2.967 -8.371 1.00 0.00 O ATOM 685 CB PHE A 130 8.594 -2.952 -9.424 1.00 0.00 C ATOM 686 CG PHE A 130 7.213 -2.554 -9.262 1.00 0.00 C ATOM 687 CD1 PHE A 130 6.252 -3.528 -9.155 1.00 0.00 C ATOM 688 CD2 PHE A 130 6.887 -1.220 -9.258 1.00 0.00 C ATOM 689 CE1 PHE A 130 4.951 -3.134 -8.966 1.00 0.00 C ATOM 690 CE2 PHE A 130 5.566 -0.858 -9.204 1.00 0.00 C ATOM 691 CZ PHE A 130 4.589 -1.811 -9.021 1.00 0.00 C ATOM 0 H PHE A 130 8.934 -1.380 -7.682 1.00 0.00 H new ATOM 0 HA PHE A 130 8.511 -4.177 -7.641 1.00 0.00 H new ATOM 0 HB2 PHE A 130 9.186 -2.123 -9.812 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.674 -3.765 -10.145 1.00 0.00 H new ATOM 0 HD1 PHE A 130 6.512 -4.574 -9.218 1.00 0.00 H new ATOM 0 HD2 PHE A 130 7.660 -0.467 -9.297 1.00 0.00 H new ATOM 0 HE1 PHE A 130 4.196 -3.881 -8.770 1.00 0.00 H new ATOM 0 HE2 PHE A 130 5.290 0.181 -9.306 1.00 0.00 H new ATOM 0 HZ PHE A 130 3.553 -1.522 -8.922 1.00 0.00 H new ATOM 849 N ILE A 140 2.894 -7.894 -9.702 1.00 0.00 N ATOM 850 CA ILE A 140 3.638 -7.461 -8.557 1.00 0.00 C ATOM 851 C ILE A 140 2.881 -6.487 -7.761 1.00 0.00 C ATOM 852 O ILE A 140 2.817 -6.599 -6.538 1.00 0.00 O ATOM 853 CB ILE A 140 5.018 -6.968 -8.911 1.00 0.00 C ATOM 854 CG1 ILE A 140 5.829 -8.089 -9.605 1.00 0.00 C ATOM 855 CG2 ILE A 140 5.704 -6.449 -7.634 1.00 0.00 C ATOM 856 CD1 ILE A 140 7.139 -7.593 -10.223 1.00 0.00 C ATOM 0 HA ILE A 140 3.791 -8.339 -7.929 1.00 0.00 H new ATOM 0 HB ILE A 140 4.956 -6.144 -9.622 1.00 0.00 H new ATOM 0 HG12 ILE A 140 6.051 -8.871 -8.879 1.00 0.00 H new ATOM 0 HG13 ILE A 140 5.216 -8.542 -10.384 1.00 0.00 H new ATOM 0 HG21 ILE A 140 6.704 -6.090 -7.878 1.00 0.00 H new ATOM 0 HG22 ILE A 140 5.118 -5.632 -7.212 1.00 0.00 H new ATOM 0 HG23 ILE A 140 5.777 -7.257 -6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 140 7.659 -8.428 -10.693 1.00 0.00 H new ATOM 0 HD12 ILE A 140 6.922 -6.832 -10.973 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.770 -7.165 -9.444 1.00 0.00 H new ATOM 868 N GLY A 141 2.332 -5.491 -8.456 1.00 0.00 N ATOM 869 CA GLY A 141 1.772 -4.402 -7.758 1.00 0.00 C ATOM 870 C GLY A 141 0.436 -4.712 -7.241 1.00 0.00 C ATOM 871 O GLY A 141 0.181 -4.646 -6.047 1.00 0.00 O ATOM 0 H GLY A 141 2.277 -5.441 -9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 141 2.426 -4.126 -6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 141 1.713 -3.538 -8.420 1.00 0.00 H new ATOM 875 N MET A 142 -0.451 -5.011 -8.181 1.00 0.00 N ATOM 876 CA MET A 142 -1.860 -4.972 -7.946 1.00 0.00 C ATOM 877 C MET A 142 -2.428 -6.257 -7.447 1.00 0.00 C ATOM 878 O MET A 142 -3.632 -6.321 -7.224 1.00 0.00 O ATOM 879 CB MET A 142 -2.638 -4.730 -9.223 1.00 0.00 C ATOM 880 CG MET A 142 -2.462 -3.351 -9.863 1.00 0.00 C ATOM 881 SD MET A 142 -3.778 -3.019 -11.069 1.00 0.00 S ATOM 882 CE MET A 142 -3.151 -4.155 -12.343 1.00 0.00 C ATOM 0 H MET A 142 -0.196 -5.287 -9.129 1.00 0.00 H new ATOM 0 HA MET A 142 -1.960 -4.174 -7.210 1.00 0.00 H new ATOM 0 HB2 MET A 142 -2.347 -5.487 -9.952 1.00 0.00 H new ATOM 0 HB3 MET A 142 -3.697 -4.879 -9.014 1.00 0.00 H new ATOM 0 HG2 MET A 142 -2.471 -2.583 -9.089 1.00 0.00 H new ATOM 0 HG3 MET A 142 -1.491 -3.296 -10.355 1.00 0.00 H new ATOM 0 HE1 MET A 142 -3.651 -3.952 -13.290 1.00 0.00 H new ATOM 0 HE2 MET A 142 -2.077 -4.012 -12.462 1.00 0.00 H new ATOM 0 HE3 MET A 142 -3.349 -5.184 -12.042 1.00 0.00 H new ATOM 892 N GLU A 143 -1.628 -7.321 -7.255 1.00 0.00 N ATOM 893 CA GLU A 143 -2.038 -8.242 -6.238 1.00 0.00 C ATOM 894 C GLU A 143 -1.961 -7.687 -4.893 1.00 0.00 C ATOM 895 O GLU A 143 -2.903 -7.849 -4.124 1.00 0.00 O ATOM 896 CB GLU A 143 -1.277 -9.577 -6.137 1.00 0.00 C ATOM 897 CG GLU A 143 -2.175 -10.755 -5.740 1.00 0.00 C ATOM 898 CD GLU A 143 -2.835 -11.353 -6.970 1.00 0.00 C ATOM 899 OE1 GLU A 143 -2.101 -11.895 -7.838 1.00 0.00 O ATOM 900 OE2 GLU A 143 -4.091 -11.280 -7.056 1.00 0.00 O ATOM 0 H GLU A 143 -0.766 -7.536 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 143 -3.056 -8.434 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.807 -9.794 -7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -0.475 -9.477 -5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -1.584 -11.516 -5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -2.937 -10.419 -5.037 1.00 0.00 H new ATOM 907 N VAL A 144 -0.792 -7.112 -4.592 1.00 0.00 N ATOM 908 CA VAL A 144 -0.403 -6.767 -3.276 1.00 0.00 C ATOM 909 C VAL A 144 -1.255 -5.695 -2.822 1.00 0.00 C ATOM 910 O VAL A 144 -2.074 -5.953 -1.961 1.00 0.00 O ATOM 911 CB VAL A 144 1.043 -6.473 -3.166 1.00 0.00 C ATOM 912 CG1 VAL A 144 1.355 -6.313 -1.676 1.00 0.00 C ATOM 913 CG2 VAL A 144 1.614 -7.771 -3.725 1.00 0.00 C ATOM 0 H VAL A 144 -0.092 -6.879 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 144 -0.540 -7.622 -2.614 1.00 0.00 H new ATOM 0 HB VAL A 144 1.419 -5.581 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 144 2.415 -6.094 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.763 -5.494 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 144 1.109 -7.236 -1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.703 -7.723 -3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.283 -8.608 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 144 1.265 -7.911 -4.748 1.00 0.00 H new ATOM 923 N LEU A 145 -1.085 -4.514 -3.418 1.00 0.00 N ATOM 924 CA LEU A 145 -1.774 -3.274 -3.180 1.00 0.00 C ATOM 925 C LEU A 145 -3.233 -3.394 -2.992 1.00 0.00 C ATOM 926 O LEU A 145 -3.799 -2.890 -2.029 1.00 0.00 O ATOM 927 CB LEU A 145 -1.677 -2.402 -4.405 1.00 0.00 C ATOM 928 CG LEU A 145 -0.323 -1.757 -4.585 1.00 0.00 C ATOM 929 CD1 LEU A 145 -0.451 -0.854 -5.814 1.00 0.00 C ATOM 930 CD2 LEU A 145 0.155 -1.089 -3.290 1.00 0.00 C ATOM 0 H LEU A 145 -0.386 -4.407 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 145 -1.302 -2.887 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -1.904 -3.002 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -2.436 -1.622 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 145 0.476 -2.473 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 145 0.500 -0.355 -6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -0.720 -1.456 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -1.224 -0.106 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 145 1.132 -0.635 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -0.558 -0.320 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 145 0.231 -1.837 -2.501 1.00 0.00 H new ATOM 942 N ASN A 146 -3.859 -4.045 -3.967 1.00 0.00 N ATOM 943 CA ASN A 146 -5.265 -4.352 -3.987 1.00 0.00 C ATOM 944 C ASN A 146 -5.724 -5.235 -2.919 1.00 0.00 C ATOM 945 O ASN A 146 -6.835 -5.051 -2.436 1.00 0.00 O ATOM 946 CB ASN A 146 -5.490 -5.031 -5.282 1.00 0.00 C ATOM 947 CG ASN A 146 -6.639 -4.730 -6.232 1.00 0.00 C ATOM 948 OD1 ASN A 146 -7.474 -3.834 -6.104 1.00 0.00 O ATOM 949 ND2 ASN A 146 -6.601 -5.634 -7.269 1.00 0.00 N ATOM 0 H ASN A 146 -3.370 -4.383 -4.796 1.00 0.00 H new ATOM 0 HA ASN A 146 -5.821 -3.425 -3.846 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -4.577 -4.886 -5.860 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -5.559 -6.095 -5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -7.302 -5.591 -8.009 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -5.872 -6.347 -7.298 1.00 0.00 H new ATOM 956 N ARG A 147 -4.897 -6.217 -2.524 1.00 0.00 N ATOM 957 CA ARG A 147 -5.255 -7.009 -1.405 1.00 0.00 C ATOM 958 C ARG A 147 -4.912 -6.329 -0.116 1.00 0.00 C ATOM 959 O ARG A 147 -5.370 -6.775 0.934 1.00 0.00 O ATOM 960 CB ARG A 147 -4.581 -8.358 -1.563 1.00 0.00 C ATOM 961 CG ARG A 147 -4.627 -9.348 -0.419 1.00 0.00 C ATOM 962 CD ARG A 147 -4.723 -10.807 -0.861 1.00 0.00 C ATOM 963 NE ARG A 147 -3.490 -11.134 -1.632 1.00 0.00 N ATOM 964 CZ ARG A 147 -3.266 -12.408 -2.070 1.00 0.00 C ATOM 965 NH1 ARG A 147 -4.196 -13.383 -1.854 1.00 0.00 N ATOM 966 NH2 ARG A 147 -2.102 -12.711 -2.715 1.00 0.00 N ATOM 0 H ARG A 147 -4.009 -6.454 -2.967 1.00 0.00 H new ATOM 0 HA ARG A 147 -6.335 -7.153 -1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -5.021 -8.844 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -3.532 -8.175 -1.796 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -3.733 -9.223 0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -5.482 -9.115 0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -4.817 -11.463 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -5.610 -10.962 -1.476 1.00 0.00 H new ATOM 0 HE ARG A 147 -2.809 -10.402 -1.834 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -5.063 -13.162 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -4.025 -14.333 -2.183 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.401 -11.986 -2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.933 -13.662 -3.043 1.00 0.00 H new ATOM 980 N VAL A 148 -4.082 -5.254 -0.129 1.00 0.00 N ATOM 981 CA VAL A 148 -3.780 -4.608 1.080 1.00 0.00 C ATOM 982 C VAL A 148 -4.971 -3.786 1.381 1.00 0.00 C ATOM 983 O VAL A 148 -5.409 -3.844 2.518 1.00 0.00 O ATOM 984 CB VAL A 148 -2.612 -3.696 1.126 1.00 0.00 C ATOM 985 CG1 VAL A 148 -2.125 -3.687 2.564 1.00 0.00 C ATOM 986 CG2 VAL A 148 -1.469 -4.164 0.268 1.00 0.00 C ATOM 0 H VAL A 148 -3.643 -4.859 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.520 -5.402 1.780 1.00 0.00 H new ATOM 0 HB VAL A 148 -2.923 -2.718 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -1.262 -3.027 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -2.922 -3.330 3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -1.841 -4.697 2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -0.644 -3.456 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -1.137 -5.145 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -1.796 -4.231 -0.769 1.00 0.00 H new ATOM 996 N LYS A 149 -5.513 -3.034 0.374 1.00 0.00 N ATOM 997 CA LYS A 149 -6.748 -2.327 0.440 1.00 0.00 C ATOM 998 C LYS A 149 -7.831 -3.204 0.884 1.00 0.00 C ATOM 999 O LYS A 149 -8.580 -2.773 1.732 1.00 0.00 O ATOM 1000 CB LYS A 149 -7.258 -1.863 -0.933 1.00 0.00 C ATOM 1001 CG LYS A 149 -8.675 -1.275 -0.928 1.00 0.00 C ATOM 1002 CD LYS A 149 -9.217 -0.551 -2.171 1.00 0.00 C ATOM 1003 CE LYS A 149 -8.613 0.736 -2.706 1.00 0.00 C ATOM 1004 NZ LYS A 149 -9.122 1.027 -4.062 1.00 0.00 N ATOM 0 H LYS A 149 -5.049 -2.926 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 149 -6.532 -1.493 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 149 -6.570 -1.114 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 149 -7.234 -2.710 -1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 149 -9.362 -2.091 -0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 149 -8.731 -0.573 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 149 -9.184 -1.272 -2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 149 -10.268 -0.341 -1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 149 -8.853 1.562 -2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 149 -7.527 0.651 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 -8.697 1.910 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 -8.871 0.247 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 -10.156 1.129 -4.030 1.00 0.00 H new ATOM 1018 N ASP A 150 -8.004 -4.388 0.264 1.00 0.00 N ATOM 1019 CA ASP A 150 -9.124 -5.227 0.444 1.00 0.00 C ATOM 1020 C ASP A 150 -9.083 -5.852 1.782 1.00 0.00 C ATOM 1021 O ASP A 150 -10.141 -6.015 2.389 1.00 0.00 O ATOM 1022 CB ASP A 150 -9.175 -6.311 -0.609 1.00 0.00 C ATOM 1023 CG ASP A 150 -10.087 -5.864 -1.741 1.00 0.00 C ATOM 1024 OD1 ASP A 150 -9.779 -4.828 -2.389 1.00 0.00 O ATOM 1025 OD2 ASP A 150 -11.115 -6.555 -1.971 1.00 0.00 O ATOM 0 H ASP A 150 -7.322 -4.767 -0.393 1.00 0.00 H new ATOM 0 HA ASP A 150 -10.017 -4.609 0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -8.174 -6.512 -0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -9.543 -7.240 -0.174 1.00 0.00 H new ATOM 1030 N ASP A 151 -7.877 -6.211 2.279 1.00 0.00 N ATOM 1031 CA ASP A 151 -7.852 -6.622 3.661 1.00 0.00 C ATOM 1032 C ASP A 151 -8.024 -5.508 4.670 1.00 0.00 C ATOM 1033 O ASP A 151 -8.709 -5.711 5.671 1.00 0.00 O ATOM 1034 CB ASP A 151 -6.617 -7.464 3.972 1.00 0.00 C ATOM 1035 CG ASP A 151 -6.813 -8.235 5.269 1.00 0.00 C ATOM 1036 OD1 ASP A 151 -7.770 -9.052 5.334 1.00 0.00 O ATOM 1037 OD2 ASP A 151 -6.003 -8.029 6.211 1.00 0.00 O ATOM 0 H ASP A 151 -6.989 -6.220 1.777 1.00 0.00 H new ATOM 0 HA ASP A 151 -8.743 -7.239 3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 151 -6.427 -8.159 3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 151 -5.741 -6.820 4.053 1.00 0.00 H new ATOM 1042 N LEU A 152 -7.415 -4.318 4.462 1.00 0.00 N ATOM 1043 CA LEU A 152 -7.479 -3.229 5.382 1.00 0.00 C ATOM 1044 C LEU A 152 -8.697 -2.418 5.342 1.00 0.00 C ATOM 1045 O LEU A 152 -8.929 -1.720 6.317 1.00 0.00 O ATOM 1046 CB LEU A 152 -6.488 -2.161 5.043 1.00 0.00 C ATOM 1047 CG LEU A 152 -5.457 -2.027 6.156 1.00 0.00 C ATOM 1048 CD1 LEU A 152 -4.154 -1.638 5.477 1.00 0.00 C ATOM 1049 CD2 LEU A 152 -5.954 -1.169 7.333 1.00 0.00 C ATOM 0 H LEU A 152 -6.864 -4.114 3.628 1.00 0.00 H new ATOM 0 HA LEU A 152 -7.348 -3.759 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -5.990 -2.402 4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -7.002 -1.211 4.897 1.00 0.00 H new ATOM 0 HG LEU A 152 -5.273 -2.961 6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.372 -1.526 6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -3.868 -2.414 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -4.287 -0.694 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -5.176 -1.110 8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -6.191 -0.166 6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -6.848 -1.622 7.762 1.00 0.00 H new ATOM 1061 N GLN A 153 -9.464 -2.465 4.227 1.00 0.00 N ATOM 1062 CA GLN A 153 -10.748 -1.921 3.861 1.00 0.00 C ATOM 1063 C GLN A 153 -11.741 -1.639 4.932 1.00 0.00 C ATOM 1064 O GLN A 153 -12.613 -0.788 4.782 1.00 0.00 O ATOM 1065 CB GLN A 153 -11.417 -2.935 2.945 1.00 0.00 C ATOM 1066 CG GLN A 153 -12.168 -2.265 1.806 1.00 0.00 C ATOM 1067 CD GLN A 153 -12.622 -3.335 0.818 1.00 0.00 C ATOM 1068 OE1 GLN A 153 -13.286 -4.310 1.188 1.00 0.00 O ATOM 1069 NE2 GLN A 153 -12.237 -3.132 -0.479 1.00 0.00 N ATOM 0 H GLN A 153 -9.102 -2.991 3.432 1.00 0.00 H new ATOM 0 HA GLN A 153 -10.501 -0.948 3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 153 -10.663 -3.607 2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 153 -12.108 -3.547 3.525 1.00 0.00 H new ATOM 0 HG2 GLN A 153 -13.029 -1.718 2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 153 -11.526 -1.539 1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 153 -11.689 -2.308 -0.725 1.00 0.00 H new ATOM 0 HE22 GLN A 153 -12.498 -3.805 -1.200 1.00 0.00 H new ATOM 1078 N GLU A 154 -11.602 -2.402 6.015 1.00 0.00 N ATOM 1079 CA GLU A 154 -12.259 -2.236 7.279 1.00 0.00 C ATOM 1080 C GLU A 154 -12.050 -0.880 7.869 1.00 0.00 C ATOM 1081 O GLU A 154 -12.990 -0.153 8.186 1.00 0.00 O ATOM 1082 CB GLU A 154 -11.753 -3.246 8.328 1.00 0.00 C ATOM 1083 CG GLU A 154 -11.206 -4.523 7.689 1.00 0.00 C ATOM 1084 CD GLU A 154 -10.775 -5.473 8.795 1.00 0.00 C ATOM 1085 OE1 GLU A 154 -11.658 -5.916 9.577 1.00 0.00 O ATOM 1086 OE2 GLU A 154 -9.553 -5.771 8.870 1.00 0.00 O ATOM 0 H GLU A 154 -10.977 -3.208 6.016 1.00 0.00 H new ATOM 0 HA GLU A 154 -13.315 -2.392 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -10.972 -2.781 8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -12.568 -3.502 9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -11.968 -4.990 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -10.362 -4.290 7.040 1.00 0.00 H new ATOM 1093 N LEU A 155 -10.765 -0.577 8.076 1.00 0.00 N ATOM 1094 CA LEU A 155 -10.281 0.514 8.848 1.00 0.00 C ATOM 1095 C LEU A 155 -9.846 1.583 7.904 1.00 0.00 C ATOM 1096 O LEU A 155 -10.229 2.745 8.027 1.00 0.00 O ATOM 1097 CB LEU A 155 -9.099 0.036 9.715 1.00 0.00 C ATOM 1098 CG LEU A 155 -8.810 0.886 10.968 1.00 0.00 C ATOM 1099 CD1 LEU A 155 -8.702 -0.015 12.209 1.00 0.00 C ATOM 1100 CD2 LEU A 155 -7.547 1.748 10.822 1.00 0.00 C ATOM 0 H LEU A 155 -10.011 -1.134 7.675 1.00 0.00 H new ATOM 0 HA LEU A 155 -11.055 0.903 9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 155 -9.293 -0.989 10.030 1.00 0.00 H new ATOM 0 HB3 LEU A 155 -8.202 0.015 9.096 1.00 0.00 H new ATOM 0 HG LEU A 155 -9.649 1.572 11.088 1.00 0.00 H new ATOM 0 HD11 LEU A 155 -8.498 0.598 13.087 1.00 0.00 H new ATOM 0 HD12 LEU A 155 -9.640 -0.552 12.352 1.00 0.00 H new ATOM 0 HD13 LEU A 155 -7.892 -0.731 12.070 1.00 0.00 H new ATOM 0 HD21 LEU A 155 -7.393 2.325 11.734 1.00 0.00 H new ATOM 0 HD22 LEU A 155 -6.685 1.104 10.650 1.00 0.00 H new ATOM 0 HD23 LEU A 155 -7.666 2.428 9.978 1.00 0.00 H new ATOM 1112 N ALA A 156 -8.994 1.173 6.948 1.00 0.00 N ATOM 1113 CA ALA A 156 -8.438 2.083 5.968 1.00 0.00 C ATOM 1114 C ALA A 156 -9.150 1.979 4.699 1.00 0.00 C ATOM 1115 O ALA A 156 -9.431 0.865 4.269 1.00 0.00 O ATOM 1116 CB ALA A 156 -7.014 1.832 5.489 1.00 0.00 C ATOM 0 H ALA A 156 -8.682 0.207 6.845 1.00 0.00 H new ATOM 0 HA ALA A 156 -8.506 3.021 6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -6.736 2.592 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -6.331 1.877 6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -6.954 0.846 5.027 1.00 0.00 H new ATOM 1122 N VAL A 157 -9.375 3.117 4.005 1.00 0.00 N ATOM 1123 CA VAL A 157 -9.211 3.028 2.595 1.00 0.00 C ATOM 1124 C VAL A 157 -8.279 3.938 1.931 1.00 0.00 C ATOM 1125 O VAL A 157 -7.860 4.978 2.419 1.00 0.00 O ATOM 1126 CB VAL A 157 -10.451 3.172 1.740 1.00 0.00 C ATOM 1127 CG1 VAL A 157 -11.526 2.246 2.283 1.00 0.00 C ATOM 1128 CG2 VAL A 157 -10.852 4.666 1.617 1.00 0.00 C ATOM 0 H VAL A 157 -9.647 4.023 4.386 1.00 0.00 H new ATOM 0 HA VAL A 157 -8.823 2.010 2.631 1.00 0.00 H new ATOM 0 HB VAL A 157 -10.272 2.857 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -12.427 2.339 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -11.170 1.216 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -11.753 2.518 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -11.746 4.753 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -11.055 5.071 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -10.037 5.225 1.157 1.00 0.00 H new ATOM 1138 N VAL A 158 -8.005 3.496 0.708 1.00 0.00 N ATOM 1139 CA VAL A 158 -7.063 4.000 -0.192 1.00 0.00 C ATOM 1140 C VAL A 158 -7.674 5.133 -0.926 1.00 0.00 C ATOM 1141 O VAL A 158 -8.886 5.211 -1.115 1.00 0.00 O ATOM 1142 CB VAL A 158 -6.759 2.908 -1.156 1.00 0.00 C ATOM 1143 CG1 VAL A 158 -5.440 3.070 -1.881 1.00 0.00 C ATOM 1144 CG2 VAL A 158 -6.794 1.552 -0.421 1.00 0.00 C ATOM 0 H VAL A 158 -8.505 2.697 0.318 1.00 0.00 H new ATOM 0 HA VAL A 158 -6.161 4.337 0.318 1.00 0.00 H new ATOM 0 HB VAL A 158 -7.528 2.953 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -5.295 2.233 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -5.447 4.002 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -4.627 3.092 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -6.572 0.750 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -6.051 1.551 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -7.784 1.395 0.006 1.00 0.00 H new ATOM 1154 N GLU A 159 -6.798 6.035 -1.378 1.00 0.00 N ATOM 1155 CA GLU A 159 -7.180 7.240 -2.021 1.00 0.00 C ATOM 1156 C GLU A 159 -7.451 6.922 -3.443 1.00 0.00 C ATOM 1157 O GLU A 159 -8.393 7.433 -4.046 1.00 0.00 O ATOM 1158 CB GLU A 159 -6.012 8.210 -2.002 1.00 0.00 C ATOM 1159 CG GLU A 159 -6.341 9.638 -2.440 1.00 0.00 C ATOM 1160 CD GLU A 159 -5.067 10.462 -2.315 1.00 0.00 C ATOM 1161 OE1 GLU A 159 -4.108 10.188 -3.083 1.00 0.00 O ATOM 1162 OE2 GLU A 159 -5.038 11.377 -1.450 1.00 0.00 O ATOM 0 H GLU A 159 -5.788 5.921 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 159 -8.047 7.671 -1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 159 -5.604 8.242 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 159 -5.227 7.820 -2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -6.705 9.649 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -7.131 10.057 -1.817 1.00 0.00 H new ATOM 1169 N SER A 160 -6.578 6.070 -4.004 1.00 0.00 N ATOM 1170 CA SER A 160 -6.624 5.780 -5.395 1.00 0.00 C ATOM 1171 C SER A 160 -6.070 4.428 -5.542 1.00 0.00 C ATOM 1172 O SER A 160 -5.197 4.039 -4.772 1.00 0.00 O ATOM 1173 CB SER A 160 -5.715 6.654 -6.223 1.00 0.00 C ATOM 1174 OG SER A 160 -6.179 6.746 -7.562 1.00 0.00 O ATOM 0 H SER A 160 -5.842 5.584 -3.492 1.00 0.00 H new ATOM 0 HA SER A 160 -7.652 5.919 -5.730 1.00 0.00 H new ATOM 0 HB2 SER A 160 -5.663 7.650 -5.783 1.00 0.00 H new ATOM 0 HB3 SER A 160 -4.704 6.247 -6.212 1.00 0.00 H new ATOM 0 HG SER A 160 -5.575 7.319 -8.079 1.00 0.00 H new ATOM 1180 N PHE A 161 -6.524 3.711 -6.576 1.00 0.00 N ATOM 1181 CA PHE A 161 -5.830 2.540 -6.993 1.00 0.00 C ATOM 1182 C PHE A 161 -5.051 3.066 -8.175 1.00 0.00 C ATOM 1183 O PHE A 161 -5.686 3.322 -9.198 1.00 0.00 O ATOM 1184 CB PHE A 161 -6.781 1.372 -7.321 1.00 0.00 C ATOM 1185 CG PHE A 161 -6.119 0.123 -6.929 1.00 0.00 C ATOM 1186 CD1 PHE A 161 -5.987 -0.162 -5.594 1.00 0.00 C ATOM 1187 CD2 PHE A 161 -5.663 -0.788 -7.848 1.00 0.00 C ATOM 1188 CE1 PHE A 161 -5.195 -1.187 -5.171 1.00 0.00 C ATOM 1189 CE2 PHE A 161 -4.839 -1.795 -7.454 1.00 0.00 C ATOM 1190 CZ PHE A 161 -4.539 -1.930 -6.133 1.00 0.00 C ATOM 0 H PHE A 161 -7.359 3.936 -7.117 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.192 2.092 -6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -7.724 1.487 -6.787 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -7.017 1.360 -8.385 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -6.518 0.435 -4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -5.958 -0.705 -8.884 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -5.084 -1.411 -4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -4.427 -2.480 -8.181 1.00 0.00 H new ATOM 0 HZ PHE A 161 -3.774 -2.631 -5.832 1.00 0.00 H new ATOM 1315 N GLN A 169 8.838 1.858 -9.359 1.00 0.00 N ATOM 1316 CA GLN A 169 8.212 1.846 -8.058 1.00 0.00 C ATOM 1317 C GLN A 169 6.891 2.558 -8.165 1.00 0.00 C ATOM 1318 O GLN A 169 6.795 3.526 -8.915 1.00 0.00 O ATOM 1319 CB GLN A 169 8.942 2.749 -7.077 1.00 0.00 C ATOM 1320 CG GLN A 169 10.347 2.337 -6.632 1.00 0.00 C ATOM 1321 CD GLN A 169 10.814 3.288 -5.532 1.00 0.00 C ATOM 1322 OE1 GLN A 169 11.730 4.094 -5.736 1.00 0.00 O ATOM 1323 NE2 GLN A 169 10.155 3.180 -4.339 1.00 0.00 N ATOM 0 HA GLN A 169 8.177 0.804 -7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.010 3.741 -7.523 1.00 0.00 H new ATOM 0 HB3 GLN A 169 8.323 2.843 -6.185 1.00 0.00 H new ATOM 0 HG2 GLN A 169 10.341 1.310 -6.266 1.00 0.00 H new ATOM 0 HG3 GLN A 169 11.035 2.370 -7.477 1.00 0.00 H new ATOM 0 HE21 GLN A 169 9.407 2.496 -4.230 1.00 0.00 H new ATOM 0 HE22 GLN A 169 10.412 3.784 -3.558 1.00 0.00 H new ATOM 1332 N MET A 170 5.840 2.120 -7.421 1.00 0.00 N ATOM 1333 CA MET A 170 4.517 2.694 -7.594 1.00 0.00 C ATOM 1334 C MET A 170 3.870 2.988 -6.286 1.00 0.00 C ATOM 1335 O MET A 170 3.558 2.094 -5.512 1.00 0.00 O ATOM 1336 CB MET A 170 3.528 1.767 -8.332 1.00 0.00 C ATOM 1337 CG MET A 170 2.145 2.336 -8.626 1.00 0.00 C ATOM 1338 SD MET A 170 1.271 1.326 -9.844 1.00 0.00 S ATOM 1339 CE MET A 170 0.767 -0.099 -8.857 1.00 0.00 C ATOM 0 H MET A 170 5.900 1.386 -6.715 1.00 0.00 H new ATOM 0 HA MET A 170 4.703 3.594 -8.180 1.00 0.00 H new ATOM 0 HB2 MET A 170 3.981 1.470 -9.278 1.00 0.00 H new ATOM 0 HB3 MET A 170 3.404 0.861 -7.739 1.00 0.00 H new ATOM 0 HG2 MET A 170 1.565 2.383 -7.705 1.00 0.00 H new ATOM 0 HG3 MET A 170 2.240 3.357 -8.996 1.00 0.00 H new ATOM 0 HE1 MET A 170 0.735 -0.987 -9.489 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.483 -0.254 -8.050 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.222 0.082 -8.436 1.00 0.00 H new ATOM 1349 N ILE A 171 3.561 4.262 -6.035 1.00 0.00 N ATOM 1350 CA ILE A 171 2.874 4.630 -4.847 1.00 0.00 C ATOM 1351 C ILE A 171 1.408 4.408 -5.053 1.00 0.00 C ATOM 1352 O ILE A 171 0.790 4.982 -5.949 1.00 0.00 O ATOM 1353 CB ILE A 171 3.027 6.101 -4.554 1.00 0.00 C ATOM 1354 CG1 ILE A 171 4.501 6.414 -4.269 1.00 0.00 C ATOM 1355 CG2 ILE A 171 2.158 6.424 -3.334 1.00 0.00 C ATOM 1356 CD1 ILE A 171 4.943 5.877 -2.924 1.00 0.00 C ATOM 0 H ILE A 171 3.787 5.040 -6.655 1.00 0.00 H new ATOM 0 HA ILE A 171 3.286 4.036 -4.032 1.00 0.00 H new ATOM 0 HB ILE A 171 2.711 6.706 -5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 171 5.122 5.982 -5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 171 4.655 7.493 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 171 2.246 7.484 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 171 1.117 6.187 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 171 2.491 5.831 -2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 171 5.993 6.121 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 171 4.340 6.328 -2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 171 4.814 4.795 -2.904 1.00 0.00 H new ATOM 1368 N MET A 172 0.837 3.598 -4.146 1.00 0.00 N ATOM 1369 CA MET A 172 -0.572 3.561 -3.862 1.00 0.00 C ATOM 1370 C MET A 172 -0.699 4.340 -2.617 1.00 0.00 C ATOM 1371 O MET A 172 0.024 4.117 -1.658 1.00 0.00 O ATOM 1372 CB MET A 172 -1.097 2.147 -3.598 1.00 0.00 C ATOM 1373 CG MET A 172 -2.438 2.111 -2.860 1.00 0.00 C ATOM 1374 SD MET A 172 -3.302 0.542 -3.011 1.00 0.00 S ATOM 1375 CE MET A 172 -3.415 0.112 -1.253 1.00 0.00 C ATOM 0 H MET A 172 1.376 2.939 -3.584 1.00 0.00 H new ATOM 0 HA MET A 172 -1.142 3.943 -4.709 1.00 0.00 H new ATOM 0 HB2 MET A 172 -1.203 1.626 -4.549 1.00 0.00 H new ATOM 0 HB3 MET A 172 -0.358 1.598 -3.015 1.00 0.00 H new ATOM 0 HG2 MET A 172 -2.268 2.322 -1.804 1.00 0.00 H new ATOM 0 HG3 MET A 172 -3.076 2.906 -3.245 1.00 0.00 H new ATOM 0 HE1 MET A 172 -4.331 -0.452 -1.074 1.00 0.00 H new ATOM 0 HE2 MET A 172 -2.554 -0.494 -0.971 1.00 0.00 H new ATOM 0 HE3 MET A 172 -3.428 1.024 -0.656 1.00 0.00 H new ATOM 1385 N VAL A 173 -1.627 5.293 -2.599 1.00 0.00 N ATOM 1386 CA VAL A 173 -1.683 6.171 -1.458 1.00 0.00 C ATOM 1387 C VAL A 173 -2.779 5.657 -0.566 1.00 0.00 C ATOM 1388 O VAL A 173 -3.847 5.373 -1.086 1.00 0.00 O ATOM 1389 CB VAL A 173 -2.137 7.536 -1.882 1.00 0.00 C ATOM 1390 CG1 VAL A 173 -2.044 8.375 -0.616 1.00 0.00 C ATOM 1391 CG2 VAL A 173 -1.258 8.056 -3.030 1.00 0.00 C ATOM 0 H VAL A 173 -2.317 5.465 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 173 -0.703 6.212 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 173 -3.151 7.558 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -2.359 9.396 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -2.692 7.950 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -1.014 8.381 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -1.598 9.048 -3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -0.221 8.113 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -1.330 7.377 -3.880 1.00 0.00 H new ATOM 1401 N LEU A 174 -2.602 5.546 0.775 1.00 0.00 N ATOM 1402 CA LEU A 174 -3.665 4.928 1.534 1.00 0.00 C ATOM 1403 C LEU A 174 -3.928 5.913 2.653 1.00 0.00 C ATOM 1404 O LEU A 174 -3.016 6.557 3.152 1.00 0.00 O ATOM 1405 CB LEU A 174 -3.290 3.481 1.903 1.00 0.00 C ATOM 1406 CG LEU A 174 -3.874 3.015 3.218 1.00 0.00 C ATOM 1407 CD1 LEU A 174 -5.309 2.685 2.882 1.00 0.00 C ATOM 1408 CD2 LEU A 174 -3.218 1.804 3.828 1.00 0.00 C ATOM 0 H LEU A 174 -1.787 5.858 1.303 1.00 0.00 H new ATOM 0 HA LEU A 174 -4.604 4.766 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -3.628 2.814 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -2.204 3.397 1.948 1.00 0.00 H new ATOM 0 HG LEU A 174 -3.734 3.794 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -5.821 2.335 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -5.808 3.577 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -5.334 1.905 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -3.713 1.556 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -3.299 0.962 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -2.166 2.017 4.018 1.00 0.00 H new ATOM 1420 N ALA A 175 -5.205 6.071 3.059 1.00 0.00 N ATOM 1421 CA ALA A 175 -5.621 7.050 4.017 1.00 0.00 C ATOM 1422 C ALA A 175 -6.493 6.420 5.045 1.00 0.00 C ATOM 1423 O ALA A 175 -6.804 5.243 4.909 1.00 0.00 O ATOM 1424 CB ALA A 175 -6.558 7.981 3.234 1.00 0.00 C ATOM 0 H ALA A 175 -5.972 5.497 2.708 1.00 0.00 H new ATOM 0 HA ALA A 175 -4.758 7.527 4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 175 -6.926 8.766 3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 175 -6.014 8.431 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 175 -7.401 7.408 2.847 1.00 0.00 H new ATOM 1430 N PRO A 176 -6.957 7.159 6.044 1.00 0.00 N ATOM 1431 CA PRO A 176 -8.094 6.777 6.836 1.00 0.00 C ATOM 1432 C PRO A 176 -9.303 6.709 5.955 1.00 0.00 C ATOM 1433 O PRO A 176 -9.411 7.508 5.023 1.00 0.00 O ATOM 1434 CB PRO A 176 -8.235 7.898 7.867 1.00 0.00 C ATOM 1435 CG PRO A 176 -6.813 8.434 8.034 1.00 0.00 C ATOM 1436 CD PRO A 176 -6.228 8.277 6.630 1.00 0.00 C ATOM 0 HA PRO A 176 -7.983 5.803 7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 176 -8.916 8.675 7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 176 -8.633 7.524 8.810 1.00 0.00 H new ATOM 0 HG2 PRO A 176 -6.808 9.474 8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 176 -6.250 7.865 8.773 1.00 0.00 H new ATOM 0 HD2 PRO A 176 -6.360 9.186 6.043 1.00 0.00 H new ATOM 0 HD3 PRO A 176 -5.158 8.074 6.668 1.00 0.00 H new ATOM 1444 N LYS A 177 -10.243 5.793 6.290 1.00 0.00 N ATOM 1445 CA LYS A 177 -11.488 5.728 5.581 1.00 0.00 C ATOM 1446 C LYS A 177 -12.281 6.905 6.041 1.00 0.00 C ATOM 1447 O LYS A 177 -12.470 7.141 7.235 1.00 0.00 O ATOM 1448 CB LYS A 177 -12.322 4.476 5.922 1.00 0.00 C ATOM 1449 CG LYS A 177 -13.626 4.343 5.113 1.00 0.00 C ATOM 1450 CD LYS A 177 -14.577 3.266 5.652 1.00 0.00 C ATOM 1451 CE LYS A 177 -14.047 1.845 5.491 1.00 0.00 C ATOM 1452 NZ LYS A 177 -15.055 0.875 5.973 1.00 0.00 N ATOM 0 H LYS A 177 -10.141 5.109 7.040 1.00 0.00 H new ATOM 0 HA LYS A 177 -11.275 5.704 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -11.711 3.590 5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -12.567 4.495 6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -14.142 5.303 5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -13.379 4.112 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -14.766 3.456 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -15.534 3.348 5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -13.814 1.651 4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -13.119 1.728 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 -14.653 0.315 6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 -15.895 1.386 6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -15.326 0.241 5.195 1.00 0.00 H new