USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 810 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 53 THR OG1 : rot 75:sc= 0.107 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -115:sc= -0.501 (180deg=-3.48!) USER MOD Set 2.1: A 27 ASN : amide:sc= -1.8! K(o=-3.8!,f=-3) USER MOD Set 2.2: A 59 ASN : amide:sc= -1.99! C(o=-3.8!,f=-3.4!) USER MOD Single : A 10 LYS NZ :NH3+ -145:sc=-0.00163 (180deg=-1.16) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -2.02 K(o=-2,f=-0.27) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -108:sc= -1.1! (180deg=-2.58!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 120:sc= -1.46 USER MOD Single : A 39 HIS : no HD1:sc= -0.0605 X(o=-0.061,f=0) USER MOD Single : A 40 CYS SG : rot -151:sc= -1.07 USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0.0194 (180deg=0.017) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 156:sc= -0.069 (180deg=-0.503) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.242 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -3.16 K(o=-3.2,f=-8.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -158:sc= -0.0726 (180deg=-0.865) USER MOD Single : A 67 SER OG : rot -39:sc= 0 USER MOD Single : A 68 THR OG1 : rot -72:sc= -0.0821 USER MOD Single : A 70 ASN : amide:sc= 0.166 K(o=0.17,f=-1.8!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.44) USER MOD Single : A 79 SER OG : rot 55:sc= 1.21 USER MOD Single : A 82 THR OG1 : rot 91:sc= 1.05 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 34:sc= 0.058 USER MOD Single : A 97 TYR OH : rot -94:sc= 0.936 USER MOD Single : A 98 ASN : amide:sc=-0.00885 X(o=-0.0089,f=0.17) USER MOD Single : A 102 THR OG1 : rot -138:sc= -0.632 USER MOD Single : A 108 LYS NZ :NH3+ -130:sc= -1.38 (180deg=-3.68!) USER MOD Single : A 112 SER OG : rot 88:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -4.827 -13.146 -2.512 1.00 0.00 N ATOM 67 CA PRO A 8 -3.627 -12.827 -1.734 1.00 0.00 C ATOM 68 C PRO A 8 -3.807 -11.581 -0.874 1.00 0.00 C ATOM 69 O PRO A 8 -3.512 -11.591 0.321 1.00 0.00 O ATOM 70 CB PRO A 8 -2.562 -12.587 -2.808 1.00 0.00 C ATOM 71 CG PRO A 8 -3.329 -12.171 -4.015 1.00 0.00 C ATOM 72 CD PRO A 8 -4.634 -12.915 -3.954 1.00 0.00 C ATOM 0 HA PRO A 8 -3.373 -13.621 -1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.857 -11.814 -2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.982 -13.490 -2.999 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.494 -11.094 -4.020 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.784 -12.414 -4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.450 -12.331 -4.380 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.589 -13.852 -4.509 1.00 0.00 H new ATOM 80 N VAL A 9 -4.292 -10.508 -1.490 1.00 0.00 N ATOM 81 CA VAL A 9 -4.513 -9.253 -0.780 1.00 0.00 C ATOM 82 C VAL A 9 -5.983 -8.852 -0.818 1.00 0.00 C ATOM 83 O VAL A 9 -6.609 -8.845 -1.878 1.00 0.00 O ATOM 84 CB VAL A 9 -3.665 -8.114 -1.376 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.600 -8.234 -2.891 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.226 -6.761 -0.964 1.00 0.00 C ATOM 0 H VAL A 9 -4.540 -10.482 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.211 -9.417 0.254 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.651 -8.196 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.997 -7.421 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.149 -9.189 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.607 -8.178 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.615 -5.967 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.250 -6.666 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.216 -6.679 0.123 1.00 0.00 H new ATOM 96 N LYS A 10 -6.529 -8.516 0.346 1.00 0.00 N ATOM 97 CA LYS A 10 -7.926 -8.111 0.447 1.00 0.00 C ATOM 98 C LYS A 10 -8.164 -6.790 -0.278 1.00 0.00 C ATOM 99 O LYS A 10 -7.278 -5.937 -0.342 1.00 0.00 O ATOM 100 CB LYS A 10 -8.335 -7.979 1.916 1.00 0.00 C ATOM 101 CG LYS A 10 -9.760 -8.427 2.193 1.00 0.00 C ATOM 102 CD LYS A 10 -10.744 -7.279 2.043 1.00 0.00 C ATOM 103 CE LYS A 10 -12.179 -7.781 1.972 1.00 0.00 C ATOM 104 NZ LYS A 10 -12.699 -8.166 3.313 1.00 0.00 N ATOM 0 H LYS A 10 -6.025 -8.516 1.233 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.536 -8.880 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.652 -8.568 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.224 -6.939 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.030 -9.230 1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.825 -8.834 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.638 -6.595 2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.510 -6.713 1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.814 -7.005 1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.231 -8.639 1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.336 -8.982 3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.904 -8.418 3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.221 -7.366 3.726 1.00 0.00 H new ATOM 118 N VAL A 11 -9.365 -6.626 -0.822 1.00 0.00 N ATOM 119 CA VAL A 11 -9.720 -5.407 -1.540 1.00 0.00 C ATOM 120 C VAL A 11 -10.776 -4.610 -0.782 1.00 0.00 C ATOM 121 O VAL A 11 -11.913 -5.059 -0.624 1.00 0.00 O ATOM 122 CB VAL A 11 -10.245 -5.721 -2.953 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.477 -4.437 -3.734 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.277 -6.635 -3.690 1.00 0.00 C ATOM 0 H VAL A 11 -10.109 -7.322 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.810 -4.812 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.199 -6.239 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.848 -4.679 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.211 -3.822 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.539 -3.889 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.664 -6.847 -4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.307 -6.146 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.166 -7.568 -3.138 1.00 0.00 H new ATOM 134 N LEU A 12 -10.395 -3.427 -0.316 1.00 0.00 N ATOM 135 CA LEU A 12 -11.309 -2.565 0.425 1.00 0.00 C ATOM 136 C LEU A 12 -11.948 -1.530 -0.494 1.00 0.00 C ATOM 137 O LEU A 12 -11.334 -1.080 -1.462 1.00 0.00 O ATOM 138 CB LEU A 12 -10.570 -1.864 1.566 1.00 0.00 C ATOM 139 CG LEU A 12 -9.681 -2.753 2.437 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.586 -1.930 3.097 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.515 -3.475 3.486 1.00 0.00 C ATOM 0 H LEU A 12 -9.458 -3.042 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.099 -3.190 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.953 -1.073 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.308 -1.382 2.208 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.210 -3.500 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.964 -2.579 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.971 -1.460 2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.037 -1.160 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.867 -4.103 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.014 -2.743 4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.262 -4.097 2.992 1.00 0.00 H new ATOM 153 N VAL A 13 -13.185 -1.154 -0.185 1.00 0.00 N ATOM 154 CA VAL A 13 -13.907 -0.169 -0.982 1.00 0.00 C ATOM 155 C VAL A 13 -14.438 0.962 -0.108 1.00 0.00 C ATOM 156 O VAL A 13 -14.501 0.839 1.115 1.00 0.00 O ATOM 157 CB VAL A 13 -15.083 -0.813 -1.740 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.571 -1.695 -2.869 1.00 0.00 C ATOM 159 CG2 VAL A 13 -15.960 -1.608 -0.786 1.00 0.00 C ATOM 0 H VAL A 13 -13.708 -1.517 0.612 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.198 0.236 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.689 -0.020 -2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.416 -2.142 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.989 -1.092 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.941 -2.484 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.786 -2.056 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.368 -2.394 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.356 -0.945 -0.017 1.00 0.00 H new ATOM 169 N GLY A 14 -14.821 2.065 -0.744 1.00 0.00 N ATOM 170 CA GLY A 14 -15.343 3.202 -0.009 1.00 0.00 C ATOM 171 C GLY A 14 -16.632 2.879 0.720 1.00 0.00 C ATOM 172 O GLY A 14 -17.148 3.700 1.479 1.00 0.00 O ATOM 0 H GLY A 14 -14.779 2.191 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.597 3.539 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.516 4.028 -0.699 1.00 0.00 H new ATOM 176 N LYS A 15 -17.157 1.680 0.488 1.00 0.00 N ATOM 177 CA LYS A 15 -18.394 1.250 1.127 1.00 0.00 C ATOM 178 C LYS A 15 -18.112 0.601 2.479 1.00 0.00 C ATOM 179 O LYS A 15 -18.704 0.972 3.491 1.00 0.00 O ATOM 180 CB LYS A 15 -19.143 0.267 0.225 1.00 0.00 C ATOM 181 CG LYS A 15 -20.561 -0.023 0.686 1.00 0.00 C ATOM 182 CD LYS A 15 -21.523 1.070 0.252 1.00 0.00 C ATOM 183 CE LYS A 15 -21.878 0.946 -1.222 1.00 0.00 C ATOM 184 NZ LYS A 15 -22.454 2.210 -1.762 1.00 0.00 N ATOM 0 H LYS A 15 -16.744 0.989 -0.138 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.015 2.131 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.174 0.668 -0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.586 -0.669 0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.888 -0.980 0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -20.580 -0.115 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -22.431 1.016 0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -21.075 2.046 0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.986 0.682 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -22.593 0.134 -1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.683 2.085 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -23.320 2.449 -1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.762 2.979 -1.657 1.00 0.00 H new ATOM 198 N ASN A 16 -17.202 -0.368 2.486 1.00 0.00 N ATOM 199 CA ASN A 16 -16.840 -1.067 3.714 1.00 0.00 C ATOM 200 C ASN A 16 -15.330 -1.038 3.932 1.00 0.00 C ATOM 201 O ASN A 16 -14.725 -2.047 4.295 1.00 0.00 O ATOM 202 CB ASN A 16 -17.332 -2.515 3.665 1.00 0.00 C ATOM 203 CG ASN A 16 -16.852 -3.247 2.426 1.00 0.00 C ATOM 204 OD1 ASN A 16 -17.503 -3.214 1.382 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.709 -3.912 2.538 1.00 0.00 N ATOM 0 H ASN A 16 -16.702 -0.687 1.656 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.319 -0.555 4.549 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.986 -3.044 4.553 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.422 -2.527 3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.336 -4.424 1.738 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.203 -3.911 3.424 1.00 0.00 H new ATOM 212 N PHE A 17 -14.728 0.125 3.707 1.00 0.00 N ATOM 213 CA PHE A 17 -13.288 0.286 3.878 1.00 0.00 C ATOM 214 C PHE A 17 -12.915 0.301 5.357 1.00 0.00 C ATOM 215 O PHE A 17 -12.198 -0.577 5.836 1.00 0.00 O ATOM 216 CB PHE A 17 -12.815 1.577 3.208 1.00 0.00 C ATOM 217 CG PHE A 17 -11.620 2.195 3.874 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.399 1.540 3.884 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.717 3.432 4.492 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.298 2.107 4.497 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.619 4.004 5.107 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.407 3.341 5.108 1.00 0.00 C ATOM 0 H PHE A 17 -15.214 0.970 3.406 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.794 -0.563 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.573 1.368 2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.633 2.297 3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.307 0.575 3.407 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.662 3.955 4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.352 1.585 4.498 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.709 4.968 5.586 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.547 3.786 5.585 1.00 0.00 H new ATOM 232 N GLU A 18 -13.406 1.307 6.075 1.00 0.00 N ATOM 233 CA GLU A 18 -13.122 1.437 7.500 1.00 0.00 C ATOM 234 C GLU A 18 -13.665 0.240 8.275 1.00 0.00 C ATOM 235 O GLU A 18 -13.110 -0.152 9.301 1.00 0.00 O ATOM 236 CB GLU A 18 -13.730 2.731 8.047 1.00 0.00 C ATOM 237 CG GLU A 18 -13.035 3.987 7.549 1.00 0.00 C ATOM 238 CD GLU A 18 -13.840 5.244 7.818 1.00 0.00 C ATOM 239 OE1 GLU A 18 -14.132 5.520 9.001 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.177 5.951 6.846 1.00 0.00 O ATOM 0 H GLU A 18 -14.001 2.043 5.694 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.040 1.469 7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.783 2.774 7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.689 2.710 9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.061 4.074 8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.855 3.898 6.478 1.00 0.00 H new ATOM 247 N ASP A 19 -14.754 -0.336 7.776 1.00 0.00 N ATOM 248 CA ASP A 19 -15.372 -1.488 8.420 1.00 0.00 C ATOM 249 C ASP A 19 -14.477 -2.718 8.309 1.00 0.00 C ATOM 250 O ASP A 19 -14.462 -3.570 9.198 1.00 0.00 O ATOM 251 CB ASP A 19 -16.737 -1.778 7.793 1.00 0.00 C ATOM 252 CG ASP A 19 -17.858 -1.009 8.465 1.00 0.00 C ATOM 253 OD1 ASP A 19 -17.752 0.232 8.559 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.840 -1.648 8.898 1.00 0.00 O ATOM 0 H ASP A 19 -15.226 -0.023 6.928 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.507 -1.253 9.476 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.709 -1.522 6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.944 -2.846 7.857 1.00 0.00 H new ATOM 259 N VAL A 20 -13.732 -2.805 7.211 1.00 0.00 N ATOM 260 CA VAL A 20 -12.834 -3.931 6.984 1.00 0.00 C ATOM 261 C VAL A 20 -11.395 -3.564 7.329 1.00 0.00 C ATOM 262 O VAL A 20 -10.546 -4.437 7.506 1.00 0.00 O ATOM 263 CB VAL A 20 -12.893 -4.410 5.521 1.00 0.00 C ATOM 264 CG1 VAL A 20 -11.794 -5.425 5.246 1.00 0.00 C ATOM 265 CG2 VAL A 20 -14.262 -4.996 5.208 1.00 0.00 C ATOM 0 H VAL A 20 -13.733 -2.109 6.465 1.00 0.00 H new ATOM 0 HA VAL A 20 -13.167 -4.738 7.637 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.732 -3.551 4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.852 -5.752 4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.822 -4.967 5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.920 -6.285 5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.286 -5.329 4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.454 -5.843 5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -15.027 -4.235 5.363 1.00 0.00 H new ATOM 275 N ALA A 21 -11.127 -2.265 7.423 1.00 0.00 N ATOM 276 CA ALA A 21 -9.791 -1.782 7.749 1.00 0.00 C ATOM 277 C ALA A 21 -9.633 -1.580 9.252 1.00 0.00 C ATOM 278 O ALA A 21 -8.824 -2.248 9.897 1.00 0.00 O ATOM 279 CB ALA A 21 -9.503 -0.486 7.006 1.00 0.00 C ATOM 0 H ALA A 21 -11.818 -1.529 7.278 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.071 -2.536 7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.502 -0.136 7.259 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.566 -0.661 5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.234 0.269 7.294 1.00 0.00 H new ATOM 285 N PHE A 22 -10.409 -0.654 9.805 1.00 0.00 N ATOM 286 CA PHE A 22 -10.354 -0.362 11.232 1.00 0.00 C ATOM 287 C PHE A 22 -10.980 -1.492 12.043 1.00 0.00 C ATOM 288 O PHE A 22 -12.147 -1.420 12.430 1.00 0.00 O ATOM 289 CB PHE A 22 -11.071 0.955 11.534 1.00 0.00 C ATOM 290 CG PHE A 22 -10.318 2.168 11.066 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.958 2.288 11.300 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.971 3.188 10.393 1.00 0.00 C ATOM 293 CE1 PHE A 22 -8.263 3.404 10.872 1.00 0.00 C ATOM 294 CE2 PHE A 22 -10.282 4.306 9.962 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.926 4.413 10.201 1.00 0.00 C ATOM 0 H PHE A 22 -11.084 -0.093 9.286 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.306 -0.270 11.518 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.053 0.942 11.061 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.236 1.032 12.609 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.435 1.501 11.823 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.031 3.109 10.203 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.203 3.487 11.062 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.803 5.094 9.439 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.385 5.285 9.864 1.00 0.00 H new ATOM 305 N ASP A 23 -10.197 -2.535 12.296 1.00 0.00 N ATOM 306 CA ASP A 23 -10.674 -3.682 13.061 1.00 0.00 C ATOM 307 C ASP A 23 -9.945 -3.785 14.397 1.00 0.00 C ATOM 308 O ASP A 23 -8.943 -3.107 14.621 1.00 0.00 O ATOM 309 CB ASP A 23 -10.483 -4.971 12.261 1.00 0.00 C ATOM 310 CG ASP A 23 -11.541 -6.010 12.576 1.00 0.00 C ATOM 311 OD1 ASP A 23 -12.110 -5.961 13.687 1.00 0.00 O ATOM 312 OD2 ASP A 23 -11.802 -6.872 11.711 1.00 0.00 O ATOM 0 H ASP A 23 -9.229 -2.610 11.983 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.737 -3.540 13.257 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.509 -4.741 11.196 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.497 -5.384 12.474 1.00 0.00 H new ATOM 317 N GLU A 24 -10.456 -4.636 15.281 1.00 0.00 N ATOM 318 CA GLU A 24 -9.854 -4.825 16.595 1.00 0.00 C ATOM 319 C GLU A 24 -9.007 -6.094 16.628 1.00 0.00 C ATOM 320 O GLU A 24 -9.269 -7.049 15.896 1.00 0.00 O ATOM 321 CB GLU A 24 -10.938 -4.895 17.673 1.00 0.00 C ATOM 322 CG GLU A 24 -10.442 -5.439 19.002 1.00 0.00 C ATOM 323 CD GLU A 24 -11.283 -4.972 20.174 1.00 0.00 C ATOM 324 OE1 GLU A 24 -12.516 -5.166 20.135 1.00 0.00 O ATOM 325 OE2 GLU A 24 -10.707 -4.413 21.131 1.00 0.00 O ATOM 0 H GLU A 24 -11.285 -5.205 15.111 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.207 -3.971 16.795 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.348 -3.897 17.829 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.754 -5.523 17.315 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.446 -6.528 18.968 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.408 -5.128 19.155 1.00 0.00 H new ATOM 332 N LYS A 25 -7.989 -6.096 17.482 1.00 0.00 N ATOM 333 CA LYS A 25 -7.102 -7.246 17.612 1.00 0.00 C ATOM 334 C LYS A 25 -6.688 -7.772 16.242 1.00 0.00 C ATOM 335 O LYS A 25 -6.561 -8.981 16.041 1.00 0.00 O ATOM 336 CB LYS A 25 -7.787 -8.357 18.411 1.00 0.00 C ATOM 337 CG LYS A 25 -8.132 -7.958 19.835 1.00 0.00 C ATOM 338 CD LYS A 25 -6.894 -7.906 20.715 1.00 0.00 C ATOM 339 CE LYS A 25 -6.498 -9.291 21.202 1.00 0.00 C ATOM 340 NZ LYS A 25 -5.080 -9.335 21.654 1.00 0.00 N ATOM 0 H LYS A 25 -7.758 -5.314 18.095 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.207 -6.924 18.143 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.700 -8.654 17.895 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.135 -9.230 18.435 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.619 -6.983 19.833 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.845 -8.670 20.251 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.068 -7.465 20.157 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.082 -7.258 21.571 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.150 -9.588 22.023 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.646 -10.014 20.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.849 -10.296 21.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.455 -9.077 20.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.944 -8.663 22.436 1.00 0.00 H new ATOM 354 N LYS A 26 -6.476 -6.858 15.301 1.00 0.00 N ATOM 355 CA LYS A 26 -6.074 -7.229 13.950 1.00 0.00 C ATOM 356 C LYS A 26 -5.272 -6.108 13.294 1.00 0.00 C ATOM 357 O LYS A 26 -5.734 -4.972 13.207 1.00 0.00 O ATOM 358 CB LYS A 26 -7.304 -7.554 13.100 1.00 0.00 C ATOM 359 CG LYS A 26 -6.995 -7.723 11.622 1.00 0.00 C ATOM 360 CD LYS A 26 -6.539 -9.137 11.306 1.00 0.00 C ATOM 361 CE LYS A 26 -7.610 -10.160 11.654 1.00 0.00 C ATOM 362 NZ LYS A 26 -7.436 -10.699 13.031 1.00 0.00 N ATOM 0 H LYS A 26 -6.576 -5.854 15.450 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.442 -8.114 14.017 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.762 -8.470 13.474 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.039 -6.758 13.220 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.882 -7.486 11.035 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.220 -7.015 11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.293 -9.213 10.247 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.628 -9.359 11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.594 -9.700 11.566 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.576 -10.980 10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.098 -11.681 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.741 -10.120 13.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.347 -10.673 13.532 1.00 0.00 H new ATOM 376 N ASN A 27 -4.070 -6.438 12.834 1.00 0.00 N ATOM 377 CA ASN A 27 -3.205 -5.460 12.185 1.00 0.00 C ATOM 378 C ASN A 27 -3.391 -5.487 10.671 1.00 0.00 C ATOM 379 O ASN A 27 -2.855 -6.357 9.985 1.00 0.00 O ATOM 380 CB ASN A 27 -1.740 -5.732 12.535 1.00 0.00 C ATOM 381 CG ASN A 27 -1.517 -5.863 14.029 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.278 -4.873 14.721 1.00 0.00 O ATOM 383 ND2 ASN A 27 -1.595 -7.089 14.534 1.00 0.00 N ATOM 0 H ASN A 27 -3.673 -7.375 12.899 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.481 -4.470 12.549 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.415 -6.647 12.040 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.121 -4.923 12.148 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.455 -7.239 15.533 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.795 -7.881 13.923 1.00 0.00 H new ATOM 390 N VAL A 28 -4.156 -4.529 10.157 1.00 0.00 N ATOM 391 CA VAL A 28 -4.412 -4.442 8.725 1.00 0.00 C ATOM 392 C VAL A 28 -3.557 -3.358 8.078 1.00 0.00 C ATOM 393 O VAL A 28 -3.486 -2.231 8.570 1.00 0.00 O ATOM 394 CB VAL A 28 -5.897 -4.148 8.437 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.142 -4.052 6.939 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.781 -5.216 9.063 1.00 0.00 C ATOM 0 H VAL A 28 -4.609 -3.802 10.711 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.151 -5.410 8.298 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.153 -3.188 8.884 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.196 -3.844 6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.535 -3.248 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.870 -4.995 6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.827 -4.993 8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.525 -6.190 8.646 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.625 -5.231 10.142 1.00 0.00 H new ATOM 406 N PHE A 29 -2.908 -3.706 6.972 1.00 0.00 N ATOM 407 CA PHE A 29 -2.056 -2.762 6.257 1.00 0.00 C ATOM 408 C PHE A 29 -2.651 -2.416 4.895 1.00 0.00 C ATOM 409 O PHE A 29 -2.522 -3.177 3.937 1.00 0.00 O ATOM 410 CB PHE A 29 -0.652 -3.344 6.079 1.00 0.00 C ATOM 411 CG PHE A 29 0.325 -2.378 5.471 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.103 -1.012 5.541 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.464 -2.837 4.830 1.00 0.00 C ATOM 414 CE1 PHE A 29 1.000 -0.121 4.983 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.365 -1.950 4.271 1.00 0.00 C ATOM 416 CZ PHE A 29 2.132 -0.591 4.346 1.00 0.00 C ATOM 0 H PHE A 29 -2.955 -4.634 6.551 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.992 -1.849 6.849 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.275 -3.667 7.050 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.713 -4.232 5.449 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.781 -0.639 6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.650 -3.899 4.766 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.816 0.941 5.045 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.251 -2.320 3.776 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.834 0.103 3.907 1.00 0.00 H new ATOM 426 N VAL A 30 -3.304 -1.261 4.819 1.00 0.00 N ATOM 427 CA VAL A 30 -3.920 -0.812 3.575 1.00 0.00 C ATOM 428 C VAL A 30 -2.896 -0.141 2.667 1.00 0.00 C ATOM 429 O VAL A 30 -1.843 0.303 3.123 1.00 0.00 O ATOM 430 CB VAL A 30 -5.074 0.172 3.844 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.810 0.497 2.553 1.00 0.00 C ATOM 432 CG2 VAL A 30 -6.029 -0.398 4.882 1.00 0.00 C ATOM 0 H VAL A 30 -3.420 -0.619 5.603 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.316 -1.698 3.079 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.655 1.098 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.622 1.193 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.117 0.950 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.219 -0.419 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.838 0.310 5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.443 -1.338 4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.491 -0.575 5.813 1.00 0.00 H new ATOM 442 N GLU A 31 -3.213 -0.071 1.377 1.00 0.00 N ATOM 443 CA GLU A 31 -2.320 0.546 0.404 1.00 0.00 C ATOM 444 C GLU A 31 -3.105 1.381 -0.603 1.00 0.00 C ATOM 445 O GLU A 31 -3.762 0.842 -1.495 1.00 0.00 O ATOM 446 CB GLU A 31 -1.508 -0.525 -0.327 1.00 0.00 C ATOM 447 CG GLU A 31 -0.894 -0.040 -1.629 1.00 0.00 C ATOM 448 CD GLU A 31 -0.480 -1.180 -2.540 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.376 -1.863 -3.079 1.00 0.00 O ATOM 450 OE2 GLU A 31 0.739 -1.390 -2.712 1.00 0.00 O ATOM 0 H GLU A 31 -4.081 -0.434 0.983 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.638 1.205 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.713 -0.878 0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.153 -1.379 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.611 0.594 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.024 0.578 -1.408 1.00 0.00 H new ATOM 457 N PHE A 32 -3.034 2.699 -0.454 1.00 0.00 N ATOM 458 CA PHE A 32 -3.739 3.609 -1.349 1.00 0.00 C ATOM 459 C PHE A 32 -2.950 3.826 -2.637 1.00 0.00 C ATOM 460 O PHE A 32 -2.031 4.645 -2.685 1.00 0.00 O ATOM 461 CB PHE A 32 -3.985 4.951 -0.657 1.00 0.00 C ATOM 462 CG PHE A 32 -4.849 4.844 0.567 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.230 4.863 0.461 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.280 4.725 1.825 1.00 0.00 C ATOM 465 CE1 PHE A 32 -7.028 4.765 1.585 1.00 0.00 C ATOM 466 CE2 PHE A 32 -5.073 4.626 2.953 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.448 4.647 2.833 1.00 0.00 C ATOM 0 H PHE A 32 -2.495 3.161 0.278 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.698 3.157 -1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.026 5.388 -0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.454 5.635 -1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.689 4.956 -0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.205 4.709 1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.103 4.781 1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.617 4.532 3.928 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.069 4.571 3.713 1.00 0.00 H new ATOM 477 N TYR A 33 -3.313 3.086 -3.678 1.00 0.00 N ATOM 478 CA TYR A 33 -2.638 3.195 -4.966 1.00 0.00 C ATOM 479 C TYR A 33 -3.498 3.956 -5.970 1.00 0.00 C ATOM 480 O TYR A 33 -4.655 4.276 -5.697 1.00 0.00 O ATOM 481 CB TYR A 33 -2.309 1.804 -5.511 1.00 0.00 C ATOM 482 CG TYR A 33 -3.527 1.013 -5.929 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.145 1.244 -7.152 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.062 0.034 -5.100 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.259 0.524 -7.537 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.175 -0.692 -5.478 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.770 -0.443 -6.697 1.00 0.00 C ATOM 488 OH TYR A 33 -6.879 -1.164 -7.077 1.00 0.00 O ATOM 0 H TYR A 33 -4.071 2.404 -3.656 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.711 3.749 -4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.642 1.907 -6.367 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.766 1.244 -4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.747 2.000 -7.813 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.600 -0.163 -4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.727 0.717 -8.491 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.577 -1.450 -4.822 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.109 -1.805 -6.373 1.00 0.00 H new ATOM 498 N ALA A 34 -2.924 4.243 -7.134 1.00 0.00 N ATOM 499 CA ALA A 34 -3.637 4.965 -8.180 1.00 0.00 C ATOM 500 C ALA A 34 -3.559 4.222 -9.510 1.00 0.00 C ATOM 501 O ALA A 34 -2.507 3.724 -9.910 1.00 0.00 O ATOM 502 CB ALA A 34 -3.078 6.372 -8.326 1.00 0.00 C ATOM 0 H ALA A 34 -1.967 3.986 -7.376 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.686 5.031 -7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.620 6.899 -9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.191 6.908 -7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.021 6.318 -8.588 1.00 0.00 H new ATOM 508 N PRO A 35 -4.699 4.144 -10.212 1.00 0.00 N ATOM 509 CA PRO A 35 -4.786 3.463 -11.507 1.00 0.00 C ATOM 510 C PRO A 35 -4.044 4.214 -12.608 1.00 0.00 C ATOM 511 O PRO A 35 -3.957 3.744 -13.742 1.00 0.00 O ATOM 512 CB PRO A 35 -6.289 3.438 -11.796 1.00 0.00 C ATOM 513 CG PRO A 35 -6.840 4.592 -11.032 1.00 0.00 C ATOM 514 CD PRO A 35 -5.991 4.714 -9.796 1.00 0.00 C ATOM 0 HA PRO A 35 -4.328 2.474 -11.479 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.489 3.538 -12.863 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.739 2.499 -11.474 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.801 5.506 -11.624 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.885 4.425 -10.772 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.889 5.752 -9.479 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.421 4.166 -8.958 1.00 0.00 H new ATOM 522 N TRP A 36 -3.512 5.382 -12.265 1.00 0.00 N ATOM 523 CA TRP A 36 -2.778 6.198 -13.225 1.00 0.00 C ATOM 524 C TRP A 36 -1.345 6.430 -12.759 1.00 0.00 C ATOM 525 O TRP A 36 -0.434 6.581 -13.573 1.00 0.00 O ATOM 526 CB TRP A 36 -3.484 7.539 -13.432 1.00 0.00 C ATOM 527 CG TRP A 36 -4.273 7.984 -12.238 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.588 7.720 -11.980 1.00 0.00 C ATOM 529 CD2 TRP A 36 -3.798 8.774 -11.142 1.00 0.00 C ATOM 530 NE1 TRP A 36 -5.958 8.298 -10.790 1.00 0.00 N ATOM 531 CE2 TRP A 36 -4.878 8.949 -10.256 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.564 9.347 -10.823 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -4.760 9.675 -9.074 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.449 10.068 -9.649 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.541 10.226 -8.786 1.00 0.00 C ATOM 0 H TRP A 36 -3.575 5.785 -11.330 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.749 5.661 -14.173 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.741 8.300 -13.672 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.150 7.462 -14.291 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.241 7.142 -12.618 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.887 8.250 -10.372 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.716 9.229 -11.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.601 9.799 -8.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.501 10.517 -9.393 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.418 10.794 -7.876 1.00 0.00 H new ATOM 546 N CYS A 37 -1.153 6.458 -11.445 1.00 0.00 N ATOM 547 CA CYS A 37 0.171 6.672 -10.870 1.00 0.00 C ATOM 548 C CYS A 37 1.148 5.600 -11.339 1.00 0.00 C ATOM 549 O CYS A 37 1.114 4.465 -10.866 1.00 0.00 O ATOM 550 CB CYS A 37 0.092 6.675 -9.342 1.00 0.00 C ATOM 551 SG CYS A 37 1.678 6.959 -8.522 1.00 0.00 S ATOM 0 H CYS A 37 -1.897 6.335 -10.758 1.00 0.00 H new ATOM 0 HA CYS A 37 0.535 7.642 -11.210 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.611 7.446 -9.027 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.312 5.719 -9.008 1.00 0.00 H new ATOM 0 HG CYS A 37 1.603 8.032 -7.792 1.00 0.00 H new ATOM 557 N GLY A 38 2.018 5.967 -12.276 1.00 0.00 N ATOM 558 CA GLY A 38 2.991 5.025 -12.795 1.00 0.00 C ATOM 559 C GLY A 38 3.649 4.209 -11.700 1.00 0.00 C ATOM 560 O GLY A 38 3.858 3.005 -11.853 1.00 0.00 O ATOM 0 H GLY A 38 2.066 6.900 -12.684 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.502 4.353 -13.500 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.757 5.567 -13.350 1.00 0.00 H new ATOM 564 N HIS A 39 3.980 4.865 -10.593 1.00 0.00 N ATOM 565 CA HIS A 39 4.620 4.192 -9.468 1.00 0.00 C ATOM 566 C HIS A 39 3.779 3.012 -8.990 1.00 0.00 C ATOM 567 O HIS A 39 4.309 1.942 -8.687 1.00 0.00 O ATOM 568 CB HIS A 39 4.841 5.175 -8.317 1.00 0.00 C ATOM 569 CG HIS A 39 6.026 6.070 -8.513 1.00 0.00 C ATOM 570 ND1 HIS A 39 5.978 7.435 -8.322 1.00 0.00 N ATOM 571 CD2 HIS A 39 7.296 5.788 -8.884 1.00 0.00 C ATOM 572 CE1 HIS A 39 7.167 7.954 -8.568 1.00 0.00 C ATOM 573 NE2 HIS A 39 7.986 6.975 -8.911 1.00 0.00 N ATOM 0 H HIS A 39 3.816 5.862 -10.450 1.00 0.00 H new ATOM 0 HA HIS A 39 5.586 3.814 -9.804 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.948 5.789 -8.198 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.969 4.615 -7.391 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.693 4.811 -9.116 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.426 9.000 -8.500 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.970 7.083 -9.156 1.00 0.00 H new ATOM 582 N CYS A 40 2.468 3.214 -8.926 1.00 0.00 N ATOM 583 CA CYS A 40 1.554 2.167 -8.484 1.00 0.00 C ATOM 584 C CYS A 40 1.684 0.926 -9.360 1.00 0.00 C ATOM 585 O CYS A 40 1.809 -0.192 -8.858 1.00 0.00 O ATOM 586 CB CYS A 40 0.111 2.676 -8.511 1.00 0.00 C ATOM 587 SG CYS A 40 -1.117 1.393 -8.847 1.00 0.00 S ATOM 0 H CYS A 40 2.014 4.093 -9.174 1.00 0.00 H new ATOM 0 HA CYS A 40 1.818 1.897 -7.461 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.117 3.140 -7.552 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.025 3.454 -9.270 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.146 1.922 -9.440 1.00 0.00 H new ATOM 593 N LYS A 41 1.654 1.128 -10.672 1.00 0.00 N ATOM 594 CA LYS A 41 1.769 0.026 -11.620 1.00 0.00 C ATOM 595 C LYS A 41 2.882 -0.932 -11.209 1.00 0.00 C ATOM 596 O LYS A 41 2.860 -2.111 -11.560 1.00 0.00 O ATOM 597 CB LYS A 41 2.037 0.563 -13.028 1.00 0.00 C ATOM 598 CG LYS A 41 0.793 1.080 -13.729 1.00 0.00 C ATOM 599 CD LYS A 41 0.651 2.585 -13.576 1.00 0.00 C ATOM 600 CE LYS A 41 -0.797 3.026 -13.724 1.00 0.00 C ATOM 601 NZ LYS A 41 -1.170 3.235 -15.150 1.00 0.00 N ATOM 0 H LYS A 41 1.551 2.046 -11.104 1.00 0.00 H new ATOM 0 HA LYS A 41 0.826 -0.520 -11.620 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.770 1.367 -12.968 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.481 -0.229 -13.631 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.838 0.824 -14.787 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.088 0.587 -13.319 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.027 2.890 -12.599 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.264 3.087 -14.325 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.452 2.275 -13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.954 3.951 -13.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.191 3.419 -15.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.646 4.049 -15.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.934 2.384 -15.699 1.00 0.00 H new ATOM 615 N GLN A 42 3.854 -0.416 -10.463 1.00 0.00 N ATOM 616 CA GLN A 42 4.976 -1.227 -10.003 1.00 0.00 C ATOM 617 C GLN A 42 4.682 -1.838 -8.637 1.00 0.00 C ATOM 618 O GLN A 42 5.197 -2.905 -8.299 1.00 0.00 O ATOM 619 CB GLN A 42 6.249 -0.382 -9.935 1.00 0.00 C ATOM 620 CG GLN A 42 6.836 -0.054 -11.298 1.00 0.00 C ATOM 621 CD GLN A 42 7.791 -1.123 -11.794 1.00 0.00 C ATOM 622 OE1 GLN A 42 8.966 -1.139 -11.428 1.00 0.00 O ATOM 623 NE2 GLN A 42 7.289 -2.022 -12.632 1.00 0.00 N ATOM 0 H GLN A 42 3.887 0.559 -10.164 1.00 0.00 H new ATOM 0 HA GLN A 42 5.124 -2.037 -10.718 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.030 0.548 -9.410 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.996 -0.913 -9.345 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.027 0.068 -12.018 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.361 0.900 -11.244 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.309 -1.970 -12.908 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.884 -2.765 -12.999 1.00 0.00 H new ATOM 632 N LEU A 43 3.853 -1.156 -7.855 1.00 0.00 N ATOM 633 CA LEU A 43 3.490 -1.631 -6.525 1.00 0.00 C ATOM 634 C LEU A 43 2.392 -2.687 -6.604 1.00 0.00 C ATOM 635 O LEU A 43 2.174 -3.442 -5.657 1.00 0.00 O ATOM 636 CB LEU A 43 3.029 -0.463 -5.652 1.00 0.00 C ATOM 637 CG LEU A 43 3.139 -0.669 -4.141 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.597 -0.770 -3.721 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.444 0.462 -3.396 1.00 0.00 C ATOM 0 H LEU A 43 3.419 -0.271 -8.119 1.00 0.00 H new ATOM 0 HA LEU A 43 4.373 -2.085 -6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.612 0.418 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.989 -0.243 -5.894 1.00 0.00 H new ATOM 0 HG LEU A 43 2.643 -1.605 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.656 -0.916 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.064 -1.615 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.118 0.148 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.532 0.299 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.911 1.411 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.390 0.487 -3.674 1.00 0.00 H new ATOM 651 N ALA A 44 1.704 -2.733 -7.740 1.00 0.00 N ATOM 652 CA ALA A 44 0.631 -3.699 -7.944 1.00 0.00 C ATOM 653 C ALA A 44 1.098 -5.115 -7.623 1.00 0.00 C ATOM 654 O ALA A 44 0.495 -5.826 -6.819 1.00 0.00 O ATOM 655 CB ALA A 44 0.117 -3.622 -9.374 1.00 0.00 C ATOM 0 H ALA A 44 1.870 -2.113 -8.533 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.183 -3.450 -7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.684 -4.348 -9.512 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.264 -2.620 -9.570 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.930 -3.842 -10.065 1.00 0.00 H new ATOM 661 N PRO A 45 2.198 -5.536 -8.266 1.00 0.00 N ATOM 662 CA PRO A 45 2.769 -6.870 -8.065 1.00 0.00 C ATOM 663 C PRO A 45 3.396 -7.031 -6.684 1.00 0.00 C ATOM 664 O PRO A 45 3.128 -8.005 -5.980 1.00 0.00 O ATOM 665 CB PRO A 45 3.842 -6.964 -9.153 1.00 0.00 C ATOM 666 CG PRO A 45 4.219 -5.551 -9.436 1.00 0.00 C ATOM 667 CD PRO A 45 2.968 -4.741 -9.238 1.00 0.00 C ATOM 0 HA PRO A 45 2.011 -7.651 -8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.701 -7.542 -8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.458 -7.458 -10.046 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.011 -5.217 -8.765 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.596 -5.444 -10.453 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.190 -3.745 -8.856 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.422 -4.610 -10.172 1.00 0.00 H new ATOM 675 N ILE A 46 4.230 -6.069 -6.303 1.00 0.00 N ATOM 676 CA ILE A 46 4.893 -6.104 -5.005 1.00 0.00 C ATOM 677 C ILE A 46 3.877 -6.191 -3.871 1.00 0.00 C ATOM 678 O ILE A 46 4.080 -6.916 -2.897 1.00 0.00 O ATOM 679 CB ILE A 46 5.778 -4.862 -4.791 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.801 -4.737 -5.922 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.477 -4.935 -3.442 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.171 -3.307 -6.248 1.00 0.00 C ATOM 0 H ILE A 46 4.462 -5.256 -6.874 1.00 0.00 H new ATOM 0 HA ILE A 46 5.522 -6.994 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 46 5.143 -3.976 -4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.703 -5.283 -5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.401 -5.213 -6.817 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.099 -4.050 -3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.732 -4.981 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.102 -5.827 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.900 -3.295 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.279 -2.761 -6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.601 -2.832 -5.366 1.00 0.00 H new ATOM 694 N TRP A 47 2.783 -5.450 -4.006 1.00 0.00 N ATOM 695 CA TRP A 47 1.734 -5.445 -2.993 1.00 0.00 C ATOM 696 C TRP A 47 0.988 -6.775 -2.976 1.00 0.00 C ATOM 697 O TRP A 47 0.608 -7.271 -1.915 1.00 0.00 O ATOM 698 CB TRP A 47 0.754 -4.300 -3.249 1.00 0.00 C ATOM 699 CG TRP A 47 -0.153 -4.023 -2.089 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.509 -4.181 -2.053 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.230 -3.537 -0.798 1.00 0.00 C ATOM 702 NE1 TRP A 47 -1.992 -3.823 -0.817 1.00 0.00 N ATOM 703 CE2 TRP A 47 -0.945 -3.425 -0.029 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.452 -3.187 -0.216 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -0.931 -2.978 1.290 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.463 -2.743 1.092 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.279 -2.642 1.834 1.00 0.00 C ATOM 0 H TRP A 47 2.599 -4.845 -4.807 1.00 0.00 H new ATOM 0 HA TRP A 47 2.204 -5.300 -2.020 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.316 -3.396 -3.485 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.150 -4.538 -4.125 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.113 -4.535 -2.875 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -2.971 -3.849 -0.533 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.371 -3.262 -0.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.843 -2.899 1.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.401 -2.469 1.551 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.322 -2.292 2.855 1.00 0.00 H new ATOM 718 N ASP A 48 0.781 -7.347 -4.157 1.00 0.00 N ATOM 719 CA ASP A 48 0.081 -8.621 -4.277 1.00 0.00 C ATOM 720 C ASP A 48 0.949 -9.768 -3.772 1.00 0.00 C ATOM 721 O ASP A 48 0.441 -10.783 -3.295 1.00 0.00 O ATOM 722 CB ASP A 48 -0.321 -8.871 -5.731 1.00 0.00 C ATOM 723 CG ASP A 48 -0.511 -10.344 -6.034 1.00 0.00 C ATOM 724 OD1 ASP A 48 0.496 -11.084 -6.040 1.00 0.00 O ATOM 725 OD2 ASP A 48 -1.666 -10.758 -6.265 1.00 0.00 O ATOM 0 H ASP A 48 1.088 -6.949 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.818 -8.572 -3.663 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.246 -8.337 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.444 -8.463 -6.392 1.00 0.00 H new ATOM 730 N LYS A 49 2.263 -9.601 -3.880 1.00 0.00 N ATOM 731 CA LYS A 49 3.204 -10.622 -3.435 1.00 0.00 C ATOM 732 C LYS A 49 3.317 -10.632 -1.914 1.00 0.00 C ATOM 733 O LYS A 49 3.606 -11.665 -1.309 1.00 0.00 O ATOM 734 CB LYS A 49 4.581 -10.382 -4.057 1.00 0.00 C ATOM 735 CG LYS A 49 4.689 -10.857 -5.496 1.00 0.00 C ATOM 736 CD LYS A 49 5.706 -10.042 -6.278 1.00 0.00 C ATOM 737 CE LYS A 49 7.120 -10.558 -6.059 1.00 0.00 C ATOM 738 NZ LYS A 49 7.305 -11.926 -6.617 1.00 0.00 N ATOM 0 H LYS A 49 2.701 -8.767 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 49 2.829 -11.592 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.808 -9.317 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.335 -10.892 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.974 -11.909 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.714 -10.784 -5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.464 -10.079 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.648 -8.997 -5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.831 -9.876 -6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.341 -10.568 -4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.312 -12.084 -6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.978 -12.630 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.754 -12.021 -7.494 1.00 0.00 H new ATOM 752 N LEU A 50 3.086 -9.476 -1.301 1.00 0.00 N ATOM 753 CA LEU A 50 3.160 -9.351 0.151 1.00 0.00 C ATOM 754 C LEU A 50 1.860 -9.811 0.804 1.00 0.00 C ATOM 755 O LEU A 50 1.872 -10.417 1.874 1.00 0.00 O ATOM 756 CB LEU A 50 3.457 -7.903 0.543 1.00 0.00 C ATOM 757 CG LEU A 50 2.894 -7.443 1.889 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.682 -8.056 3.035 1.00 0.00 C ATOM 759 CD2 LEU A 50 2.908 -5.924 1.981 1.00 0.00 C ATOM 0 H LEU A 50 2.846 -8.612 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 50 3.969 -9.990 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.538 -7.766 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.064 -7.249 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 50 1.861 -7.782 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.267 -7.717 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.620 -9.143 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.725 -7.748 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.504 -5.614 2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.932 -5.563 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.298 -5.505 1.181 1.00 0.00 H new ATOM 771 N GLY A 51 0.740 -9.519 0.150 1.00 0.00 N ATOM 772 CA GLY A 51 -0.552 -9.911 0.681 1.00 0.00 C ATOM 773 C GLY A 51 -0.689 -11.414 0.824 1.00 0.00 C ATOM 774 O GLY A 51 -1.195 -11.904 1.832 1.00 0.00 O ATOM 0 H GLY A 51 0.705 -9.018 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.699 -9.442 1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.339 -9.538 0.025 1.00 0.00 H new ATOM 778 N GLU A 52 -0.237 -12.146 -0.190 1.00 0.00 N ATOM 779 CA GLU A 52 -0.314 -13.602 -0.173 1.00 0.00 C ATOM 780 C GLU A 52 0.505 -14.177 0.980 1.00 0.00 C ATOM 781 O GLU A 52 0.228 -15.274 1.467 1.00 0.00 O ATOM 782 CB GLU A 52 0.183 -14.177 -1.501 1.00 0.00 C ATOM 783 CG GLU A 52 1.693 -14.324 -1.574 1.00 0.00 C ATOM 784 CD GLU A 52 2.149 -15.050 -2.825 1.00 0.00 C ATOM 785 OE1 GLU A 52 1.636 -16.158 -3.088 1.00 0.00 O ATOM 786 OE2 GLU A 52 3.018 -14.510 -3.541 1.00 0.00 O ATOM 0 H GLU A 52 0.186 -11.755 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.358 -13.883 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.277 -15.153 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.150 -13.532 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.152 -13.336 -1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.044 -14.866 -0.696 1.00 0.00 H new ATOM 793 N THR A 53 1.515 -13.429 1.411 1.00 0.00 N ATOM 794 CA THR A 53 2.376 -13.863 2.505 1.00 0.00 C ATOM 795 C THR A 53 1.640 -13.806 3.839 1.00 0.00 C ATOM 796 O THR A 53 1.850 -14.650 4.710 1.00 0.00 O ATOM 797 CB THR A 53 3.648 -12.999 2.596 1.00 0.00 C ATOM 798 OG1 THR A 53 4.405 -13.112 1.385 1.00 0.00 O ATOM 799 CG2 THR A 53 4.506 -13.422 3.778 1.00 0.00 C ATOM 0 H THR A 53 1.758 -12.519 1.019 1.00 0.00 H new ATOM 0 HA THR A 53 2.661 -14.894 2.294 1.00 0.00 H new ATOM 0 HB THR A 53 3.346 -11.961 2.740 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.966 -12.597 0.676 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.398 -12.798 3.822 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.937 -13.307 4.700 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.799 -14.465 3.660 1.00 0.00 H new ATOM 807 N TYR A 54 0.778 -12.808 3.991 1.00 0.00 N ATOM 808 CA TYR A 54 0.012 -12.641 5.221 1.00 0.00 C ATOM 809 C TYR A 54 -1.486 -12.748 4.949 1.00 0.00 C ATOM 810 O TYR A 54 -2.299 -12.128 5.634 1.00 0.00 O ATOM 811 CB TYR A 54 0.329 -11.290 5.865 1.00 0.00 C ATOM 812 CG TYR A 54 1.805 -11.063 6.099 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.635 -10.636 5.070 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.370 -11.274 7.351 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.985 -10.428 5.280 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.718 -11.067 7.571 1.00 0.00 C ATOM 817 CZ TYR A 54 4.521 -10.645 6.532 1.00 0.00 C ATOM 818 OH TYR A 54 5.865 -10.438 6.746 1.00 0.00 O ATOM 0 H TYR A 54 0.592 -12.102 3.279 1.00 0.00 H new ATOM 0 HA TYR A 54 0.297 -13.439 5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.056 -10.494 5.228 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.197 -11.218 6.817 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.218 -10.464 4.089 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.744 -11.606 8.166 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.616 -10.098 4.469 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.141 -11.235 8.551 1.00 0.00 H new ATOM 0 HH TYR A 54 6.081 -10.635 7.681 1.00 0.00 H new ATOM 828 N LYS A 55 -1.842 -13.541 3.944 1.00 0.00 N ATOM 829 CA LYS A 55 -3.241 -13.733 3.580 1.00 0.00 C ATOM 830 C LYS A 55 -3.940 -14.656 4.574 1.00 0.00 C ATOM 831 O LYS A 55 -5.133 -14.509 4.839 1.00 0.00 O ATOM 832 CB LYS A 55 -3.347 -14.313 2.168 1.00 0.00 C ATOM 833 CG LYS A 55 -3.116 -15.813 2.107 1.00 0.00 C ATOM 834 CD LYS A 55 -2.940 -16.293 0.676 1.00 0.00 C ATOM 835 CE LYS A 55 -2.032 -17.510 0.604 1.00 0.00 C ATOM 836 NZ LYS A 55 -2.773 -18.773 0.880 1.00 0.00 N ATOM 0 H LYS A 55 -1.181 -14.061 3.367 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.734 -12.761 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.335 -14.090 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.621 -13.816 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.231 -16.070 2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.959 -16.331 2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.913 -16.538 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.521 -15.489 0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.576 -17.565 -0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.220 -17.401 1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.119 -19.579 0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.187 -18.732 1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.531 -18.891 0.178 1.00 0.00 H new ATOM 850 N ASP A 56 -3.189 -15.606 5.121 1.00 0.00 N ATOM 851 CA ASP A 56 -3.736 -16.551 6.087 1.00 0.00 C ATOM 852 C ASP A 56 -3.132 -16.325 7.470 1.00 0.00 C ATOM 853 O ASP A 56 -3.130 -17.224 8.312 1.00 0.00 O ATOM 854 CB ASP A 56 -3.475 -17.988 5.631 1.00 0.00 C ATOM 855 CG ASP A 56 -1.999 -18.333 5.621 1.00 0.00 C ATOM 856 OD1 ASP A 56 -1.267 -17.786 4.769 1.00 0.00 O ATOM 857 OD2 ASP A 56 -1.575 -19.148 6.466 1.00 0.00 O ATOM 0 H ASP A 56 -2.200 -15.742 4.912 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.812 -16.388 6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.002 -18.677 6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.885 -18.129 4.631 1.00 0.00 H new ATOM 862 N HIS A 57 -2.619 -15.120 7.696 1.00 0.00 N ATOM 863 CA HIS A 57 -2.011 -14.776 8.977 1.00 0.00 C ATOM 864 C HIS A 57 -3.050 -14.795 10.094 1.00 0.00 C ATOM 865 O HIS A 57 -4.204 -15.162 9.874 1.00 0.00 O ATOM 866 CB HIS A 57 -1.353 -13.398 8.899 1.00 0.00 C ATOM 867 CG HIS A 57 -0.068 -13.304 9.663 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.001 -12.876 10.972 1.00 0.00 N ATOM 869 CD2 HIS A 57 1.203 -13.588 9.296 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.257 -12.898 11.376 1.00 0.00 C ATOM 871 NE2 HIS A 57 2.007 -13.327 10.378 1.00 0.00 N ATOM 0 H HIS A 57 -2.612 -14.366 7.010 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.249 -15.522 9.202 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.163 -13.154 7.854 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.048 -12.650 9.280 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.525 -13.952 8.332 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.611 -12.613 12.356 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.020 -13.445 10.406 1.00 0.00 H new ATOM 880 N GLU A 58 -2.632 -14.397 11.291 1.00 0.00 N ATOM 881 CA GLU A 58 -3.527 -14.370 12.442 1.00 0.00 C ATOM 882 C GLU A 58 -3.991 -12.947 12.738 1.00 0.00 C ATOM 883 O GLU A 58 -5.182 -12.694 12.912 1.00 0.00 O ATOM 884 CB GLU A 58 -2.831 -14.957 13.672 1.00 0.00 C ATOM 885 CG GLU A 58 -1.632 -14.148 14.137 1.00 0.00 C ATOM 886 CD GLU A 58 -0.663 -14.966 14.968 1.00 0.00 C ATOM 887 OE1 GLU A 58 -0.081 -15.928 14.426 1.00 0.00 O ATOM 888 OE2 GLU A 58 -0.487 -14.643 16.162 1.00 0.00 O ATOM 0 H GLU A 58 -1.680 -14.089 11.489 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.401 -14.976 12.204 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.551 -15.026 14.488 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.507 -15.973 13.446 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.110 -13.746 13.268 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.978 -13.296 14.723 1.00 0.00 H new ATOM 895 N ASN A 59 -3.039 -12.020 12.793 1.00 0.00 N ATOM 896 CA ASN A 59 -3.349 -10.622 13.069 1.00 0.00 C ATOM 897 C ASN A 59 -2.981 -9.739 11.880 1.00 0.00 C ATOM 898 O ASN A 59 -3.573 -8.678 11.676 1.00 0.00 O ATOM 899 CB ASN A 59 -2.603 -10.150 14.319 1.00 0.00 C ATOM 900 CG ASN A 59 -1.103 -10.077 14.105 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.594 -9.119 13.523 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.389 -11.093 14.575 1.00 0.00 N ATOM 0 H ASN A 59 -2.047 -12.212 12.650 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.422 -10.540 13.242 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.974 -9.167 14.611 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.817 -10.829 15.144 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.624 -11.100 14.460 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.854 -11.866 15.051 1.00 0.00 H new ATOM 909 N ILE A 60 -2.003 -10.184 11.100 1.00 0.00 N ATOM 910 CA ILE A 60 -1.558 -9.435 9.931 1.00 0.00 C ATOM 911 C ILE A 60 -2.469 -9.692 8.734 1.00 0.00 C ATOM 912 O ILE A 60 -2.554 -10.815 8.236 1.00 0.00 O ATOM 913 CB ILE A 60 -0.111 -9.797 9.547 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.810 -9.663 10.762 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.372 -8.911 8.409 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.274 -9.852 10.433 1.00 0.00 C ATOM 0 H ILE A 60 -1.503 -11.059 11.256 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.601 -8.379 10.198 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.088 -10.833 9.209 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.670 -8.678 11.207 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.517 -10.397 11.513 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.396 -9.179 8.149 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.272 -9.051 7.540 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.338 -7.867 8.721 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.868 -9.743 11.341 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.428 -10.847 10.016 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.583 -9.102 9.705 1.00 0.00 H new ATOM 928 N VAL A 61 -3.146 -8.644 8.277 1.00 0.00 N ATOM 929 CA VAL A 61 -4.048 -8.755 7.137 1.00 0.00 C ATOM 930 C VAL A 61 -3.793 -7.644 6.125 1.00 0.00 C ATOM 931 O VAL A 61 -4.111 -6.480 6.372 1.00 0.00 O ATOM 932 CB VAL A 61 -5.522 -8.702 7.581 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.401 -8.187 6.451 1.00 0.00 C ATOM 934 CG2 VAL A 61 -5.987 -10.074 8.046 1.00 0.00 C ATOM 0 H VAL A 61 -3.087 -7.708 8.679 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.851 -9.720 6.670 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.607 -8.011 8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.439 -8.156 6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.080 -7.184 6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.314 -8.851 5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.030 -10.019 8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.889 -10.788 7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.375 -10.400 8.887 1.00 0.00 H new ATOM 944 N ILE A 62 -3.219 -8.011 4.984 1.00 0.00 N ATOM 945 CA ILE A 62 -2.923 -7.045 3.933 1.00 0.00 C ATOM 946 C ILE A 62 -4.172 -6.711 3.126 1.00 0.00 C ATOM 947 O ILE A 62 -5.003 -7.579 2.861 1.00 0.00 O ATOM 948 CB ILE A 62 -1.833 -7.567 2.979 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.553 -7.885 3.755 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.556 -6.549 1.883 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.107 -6.664 4.356 1.00 0.00 C ATOM 0 H ILE A 62 -2.950 -8.970 4.764 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.560 -6.143 4.426 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.189 -8.486 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.787 -8.591 4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.154 -8.379 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.783 -6.933 1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.468 -6.369 1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.217 -5.615 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.008 -6.964 4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.372 -5.966 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.583 -6.181 5.048 1.00 0.00 H new ATOM 963 N ALA A 63 -4.298 -5.446 2.736 1.00 0.00 N ATOM 964 CA ALA A 63 -5.444 -4.998 1.955 1.00 0.00 C ATOM 965 C ALA A 63 -5.073 -3.817 1.064 1.00 0.00 C ATOM 966 O ALA A 63 -4.152 -3.060 1.370 1.00 0.00 O ATOM 967 CB ALA A 63 -6.597 -4.625 2.876 1.00 0.00 C ATOM 0 H ALA A 63 -3.620 -4.714 2.948 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.758 -5.820 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.446 -4.292 2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.887 -5.494 3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.285 -3.821 3.543 1.00 0.00 H new ATOM 973 N LYS A 64 -5.797 -3.665 -0.040 1.00 0.00 N ATOM 974 CA LYS A 64 -5.545 -2.576 -0.976 1.00 0.00 C ATOM 975 C LYS A 64 -6.829 -1.811 -1.279 1.00 0.00 C ATOM 976 O LYS A 64 -7.910 -2.396 -1.342 1.00 0.00 O ATOM 977 CB LYS A 64 -4.945 -3.121 -2.274 1.00 0.00 C ATOM 978 CG LYS A 64 -5.928 -3.923 -3.109 1.00 0.00 C ATOM 979 CD LYS A 64 -5.342 -4.290 -4.462 1.00 0.00 C ATOM 980 CE LYS A 64 -6.356 -5.019 -5.330 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.727 -5.604 -6.546 1.00 0.00 N ATOM 0 H LYS A 64 -6.563 -4.283 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.835 -1.890 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.571 -2.288 -2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.088 -3.750 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.205 -4.831 -2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.841 -3.345 -3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.008 -3.386 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.463 -4.919 -4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.829 -5.811 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.144 -4.327 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.451 -6.092 -7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.298 -4.846 -7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.992 -6.283 -6.264 1.00 0.00 H new ATOM 995 N MET A 65 -6.702 -0.502 -1.467 1.00 0.00 N ATOM 996 CA MET A 65 -7.853 0.342 -1.766 1.00 0.00 C ATOM 997 C MET A 65 -7.479 1.441 -2.755 1.00 0.00 C ATOM 998 O MET A 65 -6.408 2.041 -2.656 1.00 0.00 O ATOM 999 CB MET A 65 -8.406 0.962 -0.481 1.00 0.00 C ATOM 1000 CG MET A 65 -9.765 1.619 -0.659 1.00 0.00 C ATOM 1001 SD MET A 65 -10.446 2.236 0.893 1.00 0.00 S ATOM 1002 CE MET A 65 -10.884 3.910 0.428 1.00 0.00 C ATOM 0 H MET A 65 -5.814 -0.003 -1.418 1.00 0.00 H new ATOM 0 HA MET A 65 -8.622 -0.283 -2.219 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.483 0.188 0.282 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.698 1.704 -0.112 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.676 2.444 -1.366 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.458 0.899 -1.095 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.945 4.532 1.321 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.125 4.312 -0.243 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.850 3.906 -0.078 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.367 1.701 -3.708 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.130 2.729 -4.715 1.00 0.00 C ATOM 1014 C ASP A 66 -8.609 4.091 -4.224 1.00 0.00 C ATOM 1015 O ASP A 66 -9.810 4.360 -4.181 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.838 2.366 -6.021 1.00 0.00 C ATOM 1017 CG ASP A 66 -8.560 3.365 -7.127 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -7.620 4.172 -6.974 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -9.283 3.340 -8.145 1.00 0.00 O ATOM 0 H ASP A 66 -9.258 1.214 -3.805 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.057 2.785 -4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.517 1.375 -6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.912 2.312 -5.846 1.00 0.00 H new ATOM 1024 N SER A 67 -7.662 4.947 -3.853 1.00 0.00 N ATOM 1025 CA SER A 67 -7.988 6.280 -3.360 1.00 0.00 C ATOM 1026 C SER A 67 -8.594 7.136 -4.467 1.00 0.00 C ATOM 1027 O SER A 67 -9.341 8.079 -4.202 1.00 0.00 O ATOM 1028 CB SER A 67 -6.736 6.960 -2.802 1.00 0.00 C ATOM 1029 OG SER A 67 -7.070 7.885 -1.781 1.00 0.00 O ATOM 0 H SER A 67 -6.663 4.741 -3.884 1.00 0.00 H new ATOM 0 HA SER A 67 -8.723 6.176 -2.562 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.055 6.207 -2.406 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.209 7.475 -3.605 1.00 0.00 H new ATOM 0 HG SER A 67 -7.888 8.364 -2.028 1.00 0.00 H new ATOM 1035 N THR A 68 -8.268 6.801 -5.712 1.00 0.00 N ATOM 1036 CA THR A 68 -8.779 7.538 -6.861 1.00 0.00 C ATOM 1037 C THR A 68 -10.214 7.135 -7.178 1.00 0.00 C ATOM 1038 O THR A 68 -11.002 7.944 -7.669 1.00 0.00 O ATOM 1039 CB THR A 68 -7.905 7.308 -8.108 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.292 6.093 -8.760 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.433 7.243 -7.733 1.00 0.00 C ATOM 0 H THR A 68 -7.652 6.024 -5.950 1.00 0.00 H new ATOM 0 HA THR A 68 -8.752 8.595 -6.597 1.00 0.00 H new ATOM 0 HB THR A 68 -8.053 8.147 -8.788 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.997 5.327 -8.225 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.836 7.080 -8.630 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.135 8.181 -7.264 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.271 6.421 -7.035 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.549 5.881 -6.895 1.00 0.00 N ATOM 1050 CA ALA A 69 -11.891 5.372 -7.148 1.00 0.00 C ATOM 1051 C ALA A 69 -12.762 5.476 -5.900 1.00 0.00 C ATOM 1052 O ALA A 69 -13.989 5.465 -5.986 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.827 3.930 -7.630 1.00 0.00 C ATOM 0 H ALA A 69 -9.909 5.198 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.344 5.984 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.837 3.563 -7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.248 3.880 -8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.350 3.313 -6.869 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.119 5.577 -4.742 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.835 5.682 -3.476 1.00 0.00 C ATOM 1061 C ASN A 70 -12.251 6.795 -2.611 1.00 0.00 C ATOM 1062 O ASN A 70 -11.036 6.977 -2.555 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.779 4.352 -2.722 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.321 3.198 -3.544 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.533 3.004 -3.639 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.422 2.426 -4.143 1.00 0.00 N ATOM 0 H ASN A 70 -11.103 5.588 -4.654 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.875 5.924 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.748 4.141 -2.440 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.351 4.437 -1.798 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.726 1.634 -4.710 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.427 2.625 -4.036 1.00 0.00 H new ATOM 1073 N GLU A 71 -13.127 7.535 -1.937 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.697 8.630 -1.075 1.00 0.00 C ATOM 1075 C GLU A 71 -13.273 8.474 0.330 1.00 0.00 C ATOM 1076 O GLU A 71 -14.460 8.197 0.499 1.00 0.00 O ATOM 1077 CB GLU A 71 -13.126 9.974 -1.668 1.00 0.00 C ATOM 1078 CG GLU A 71 -12.190 11.119 -1.321 1.00 0.00 C ATOM 1079 CD GLU A 71 -10.876 11.047 -2.075 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -10.299 9.942 -2.155 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -10.425 12.094 -2.583 1.00 0.00 O ATOM 0 H GLU A 71 -14.137 7.396 -1.971 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.609 8.601 -1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.186 9.881 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.128 10.215 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.682 12.066 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.991 11.109 -0.249 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.421 8.652 1.335 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.843 8.532 2.725 1.00 0.00 C ATOM 1090 C VAL A 72 -12.235 9.637 3.581 1.00 0.00 C ATOM 1091 O VAL A 72 -11.102 10.060 3.353 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.450 7.165 3.315 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.318 6.061 2.730 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -10.976 6.883 3.068 1.00 0.00 C ATOM 0 H VAL A 72 -11.434 8.880 1.212 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.929 8.625 2.735 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.616 7.192 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.026 5.102 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.364 6.259 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.187 6.030 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.715 5.913 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.782 6.875 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.373 7.659 3.540 1.00 0.00 H new ATOM 1104 N GLU A 73 -12.996 10.100 4.568 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.532 11.157 5.459 1.00 0.00 C ATOM 1106 C GLU A 73 -11.608 10.594 6.535 1.00 0.00 C ATOM 1107 O GLU A 73 -10.779 11.312 7.094 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.721 11.865 6.111 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.542 10.964 7.019 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.935 11.508 7.275 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -16.082 12.745 7.356 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -16.876 10.696 7.394 1.00 0.00 O ATOM 0 H GLU A 73 -13.936 9.760 4.771 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.972 11.878 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.355 12.714 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.367 12.266 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.619 9.974 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.023 10.842 7.970 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.759 9.305 6.821 1.00 0.00 N ATOM 1120 CA ALA A 74 -10.938 8.645 7.829 1.00 0.00 C ATOM 1121 C ALA A 74 -9.470 8.630 7.418 1.00 0.00 C ATOM 1122 O ALA A 74 -8.593 8.314 8.222 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.436 7.227 8.068 1.00 0.00 C ATOM 0 H ALA A 74 -12.442 8.697 6.369 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.022 9.210 8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.814 6.745 8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.469 7.258 8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.382 6.661 7.138 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.209 8.972 6.160 1.00 0.00 N ATOM 1130 CA VAL A 75 -7.846 8.999 5.642 1.00 0.00 C ATOM 1131 C VAL A 75 -7.725 9.956 4.462 1.00 0.00 C ATOM 1132 O VAL A 75 -8.364 9.768 3.427 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.387 7.596 5.200 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.174 7.695 4.287 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.082 6.729 6.412 1.00 0.00 C ATOM 0 H VAL A 75 -9.923 9.234 5.481 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.205 9.345 6.453 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.197 7.127 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.864 6.695 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.431 8.278 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.357 8.183 4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.759 5.742 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.289 7.192 7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.978 6.631 7.024 1.00 0.00 H new ATOM 1145 N LYS A 76 -6.901 10.986 4.625 1.00 0.00 N ATOM 1146 CA LYS A 76 -6.693 11.974 3.573 1.00 0.00 C ATOM 1147 C LYS A 76 -5.405 11.691 2.807 1.00 0.00 C ATOM 1148 O LYS A 76 -4.306 11.863 3.336 1.00 0.00 O ATOM 1149 CB LYS A 76 -6.645 13.382 4.170 1.00 0.00 C ATOM 1150 CG LYS A 76 -7.986 13.867 4.694 1.00 0.00 C ATOM 1151 CD LYS A 76 -8.859 14.408 3.574 1.00 0.00 C ATOM 1152 CE LYS A 76 -10.177 14.948 4.107 1.00 0.00 C ATOM 1153 NZ LYS A 76 -10.062 16.370 4.533 1.00 0.00 N ATOM 0 H LYS A 76 -6.366 11.158 5.476 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.530 11.909 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.919 13.398 4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.288 14.078 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.501 13.047 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.826 14.645 5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.327 15.200 3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.055 13.618 2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.943 14.860 3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.503 14.341 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.981 16.701 4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.349 16.450 5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.776 16.954 3.721 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.547 11.257 1.559 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.394 10.953 0.719 1.00 0.00 C ATOM 1169 C VAL A 77 -4.199 12.018 -0.354 1.00 0.00 C ATOM 1170 O VAL A 77 -5.040 12.186 -1.237 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.541 9.578 0.041 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.226 9.153 -0.596 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -5.017 8.538 1.045 1.00 0.00 C ATOM 0 H VAL A 77 -6.449 11.108 1.107 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.522 10.937 1.373 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.289 9.659 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.349 8.179 -1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.931 9.887 -1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.454 9.088 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.116 7.572 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.293 8.457 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.983 8.839 1.450 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.083 12.736 -0.271 1.00 0.00 N ATOM 1184 CA HIS A 78 -2.777 13.786 -1.237 1.00 0.00 C ATOM 1185 C HIS A 78 -1.586 13.393 -2.106 1.00 0.00 C ATOM 1186 O HIS A 78 -0.889 14.252 -2.646 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.484 15.102 -0.515 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.551 15.502 0.457 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -3.319 16.342 1.525 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -4.863 15.174 0.516 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -4.441 16.512 2.201 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -5.394 15.814 1.609 1.00 0.00 N ATOM 0 H HIS A 78 -2.377 12.610 0.454 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.646 13.919 -1.881 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.536 15.013 0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.362 15.893 -1.255 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.393 14.529 -0.169 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.559 17.118 3.087 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.366 15.759 1.914 1.00 0.00 H new ATOM 1201 N SER A 79 -1.359 12.090 -2.237 1.00 0.00 N ATOM 1202 CA SER A 79 -0.251 11.583 -3.037 1.00 0.00 C ATOM 1203 C SER A 79 -0.335 10.067 -3.185 1.00 0.00 C ATOM 1204 O SER A 79 -1.152 9.413 -2.536 1.00 0.00 O ATOM 1205 CB SER A 79 1.085 11.971 -2.399 1.00 0.00 C ATOM 1206 OG SER A 79 1.538 13.222 -2.886 1.00 0.00 O ATOM 0 H SER A 79 -1.928 11.366 -1.799 1.00 0.00 H new ATOM 0 HA SER A 79 -0.317 12.031 -4.029 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.974 12.017 -1.316 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.829 11.203 -2.611 1.00 0.00 H new ATOM 0 HG SER A 79 0.843 13.898 -2.747 1.00 0.00 H new ATOM 1212 N PHE A 80 0.514 9.515 -4.045 1.00 0.00 N ATOM 1213 CA PHE A 80 0.536 8.076 -4.280 1.00 0.00 C ATOM 1214 C PHE A 80 1.834 7.656 -4.964 1.00 0.00 C ATOM 1215 O PHE A 80 2.460 8.427 -5.691 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.662 7.659 -5.136 1.00 0.00 C ATOM 1217 CG PHE A 80 -1.928 8.391 -4.791 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -2.773 7.912 -3.803 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.273 9.557 -5.456 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -3.939 8.583 -3.484 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.436 10.232 -5.140 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.271 9.744 -4.154 1.00 0.00 C ATOM 0 H PHE A 80 1.196 10.042 -4.591 1.00 0.00 H new ATOM 0 HA PHE A 80 0.476 7.575 -3.314 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.426 7.832 -6.186 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.827 6.588 -5.019 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.518 7.004 -3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.625 9.942 -6.230 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.589 8.200 -2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.692 11.141 -5.664 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.182 10.269 -3.907 1.00 0.00 H new ATOM 1232 N PRO A 81 2.249 6.403 -4.725 1.00 0.00 N ATOM 1233 CA PRO A 81 1.513 5.476 -3.861 1.00 0.00 C ATOM 1234 C PRO A 81 1.574 5.880 -2.392 1.00 0.00 C ATOM 1235 O PRO A 81 2.569 6.441 -1.931 1.00 0.00 O ATOM 1236 CB PRO A 81 2.231 4.142 -4.078 1.00 0.00 C ATOM 1237 CG PRO A 81 3.610 4.518 -4.499 1.00 0.00 C ATOM 1238 CD PRO A 81 3.470 5.795 -5.280 1.00 0.00 C ATOM 0 HA PRO A 81 0.451 5.449 -4.105 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.244 3.547 -3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.733 3.544 -4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.258 4.659 -3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.059 3.734 -5.109 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.337 6.443 -5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.373 5.604 -6.349 1.00 0.00 H new ATOM 1246 N THR A 82 0.503 5.592 -1.658 1.00 0.00 N ATOM 1247 CA THR A 82 0.434 5.927 -0.242 1.00 0.00 C ATOM 1248 C THR A 82 0.090 4.701 0.597 1.00 0.00 C ATOM 1249 O THR A 82 -0.905 4.021 0.342 1.00 0.00 O ATOM 1250 CB THR A 82 -0.610 7.027 0.026 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.212 8.246 -0.612 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.777 7.262 1.520 1.00 0.00 C ATOM 0 H THR A 82 -0.329 5.127 -2.022 1.00 0.00 H new ATOM 0 HA THR A 82 1.420 6.295 0.043 1.00 0.00 H new ATOM 0 HB THR A 82 -1.565 6.698 -0.383 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.590 8.281 -1.515 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.519 8.043 1.685 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.108 6.340 1.999 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.176 7.571 1.948 1.00 0.00 H new ATOM 1260 N LEU A 83 0.919 4.422 1.597 1.00 0.00 N ATOM 1261 CA LEU A 83 0.701 3.277 2.474 1.00 0.00 C ATOM 1262 C LEU A 83 0.353 3.733 3.888 1.00 0.00 C ATOM 1263 O LEU A 83 0.913 4.705 4.395 1.00 0.00 O ATOM 1264 CB LEU A 83 1.947 2.390 2.505 1.00 0.00 C ATOM 1265 CG LEU A 83 2.496 1.956 1.145 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.770 1.144 1.318 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.451 1.158 0.378 1.00 0.00 C ATOM 0 H LEU A 83 1.748 4.973 1.821 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.138 2.703 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.734 2.922 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.717 1.495 3.084 1.00 0.00 H new ATOM 0 HG LEU A 83 2.736 2.850 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.146 0.844 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.521 1.749 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.557 0.256 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.859 0.857 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.179 0.270 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.565 1.774 0.222 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.574 3.022 4.521 1.00 0.00 N ATOM 1280 CA LYS A 84 -0.996 3.350 5.878 1.00 0.00 C ATOM 1281 C LYS A 84 -1.249 2.083 6.690 1.00 0.00 C ATOM 1282 O LYS A 84 -2.055 1.237 6.303 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.261 4.210 5.847 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.168 5.395 4.901 1.00 0.00 C ATOM 1285 CD LYS A 84 -3.008 6.564 5.388 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.599 7.864 4.711 1.00 0.00 C ATOM 1287 NZ LYS A 84 -1.452 8.513 5.404 1.00 0.00 N ATOM 0 H LYS A 84 -1.048 2.215 4.116 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.194 3.912 6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.106 3.587 5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.467 4.574 6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.128 5.707 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.501 5.096 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.061 6.365 5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.901 6.665 6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.331 7.664 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.448 8.548 4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.204 9.395 4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.716 8.727 6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.634 7.871 5.397 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.557 1.961 7.818 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.708 0.798 8.684 1.00 0.00 C ATOM 1303 C PHE A 85 -1.758 1.055 9.762 1.00 0.00 C ATOM 1304 O PHE A 85 -1.696 2.054 10.479 1.00 0.00 O ATOM 1305 CB PHE A 85 0.631 0.444 9.335 1.00 0.00 C ATOM 1306 CG PHE A 85 0.518 -0.604 10.406 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.622 -1.949 10.091 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.309 -0.243 11.727 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.518 -2.915 11.074 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.204 -1.205 12.715 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.310 -2.542 12.387 1.00 0.00 C ATOM 0 H PHE A 85 0.113 2.653 8.153 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.040 -0.040 8.071 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.319 0.093 8.565 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.067 1.346 9.765 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.786 -2.246 9.066 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.227 0.802 11.988 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.599 -3.960 10.815 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.039 -0.911 13.741 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.230 -3.295 13.157 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.722 0.147 9.869 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.787 0.274 10.857 1.00 0.00 C ATOM 1323 C PHE A 86 -3.591 -0.718 11.999 1.00 0.00 C ATOM 1324 O PHE A 86 -3.670 -1.934 11.819 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.150 0.051 10.200 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.406 0.953 9.027 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.591 2.048 8.787 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.461 0.707 8.163 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.823 2.880 7.708 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.697 1.535 7.082 1.00 0.00 C ATOM 1331 CZ PHE A 86 -5.878 2.624 6.855 1.00 0.00 C ATOM 0 H PHE A 86 -2.788 -0.685 9.283 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.750 1.283 11.267 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.221 -0.986 9.873 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.932 0.205 10.944 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.765 2.254 9.451 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.106 -0.142 8.336 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.180 3.730 7.532 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.521 1.331 6.415 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.063 3.274 6.012 1.00 0.00 H new ATOM 1341 N PRO A 87 -3.328 -0.190 13.203 1.00 0.00 N ATOM 1342 CA PRO A 87 -3.115 -1.011 14.399 1.00 0.00 C ATOM 1343 C PRO A 87 -4.395 -1.693 14.869 1.00 0.00 C ATOM 1344 O PRO A 87 -5.498 -1.257 14.541 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.634 0.001 15.442 1.00 0.00 C ATOM 1346 CG PRO A 87 -3.195 1.305 14.993 1.00 0.00 C ATOM 1347 CD PRO A 87 -3.219 1.251 13.491 1.00 0.00 C ATOM 0 HA PRO A 87 -2.411 -1.823 14.216 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.988 -0.260 16.439 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.546 0.034 15.489 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.197 1.457 15.394 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.582 2.135 15.344 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.063 1.807 13.082 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.315 1.680 13.059 1.00 0.00 H new ATOM 1355 N ALA A 88 -4.241 -2.765 15.639 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.385 -3.505 16.157 1.00 0.00 C ATOM 1357 C ALA A 88 -6.190 -2.657 17.135 1.00 0.00 C ATOM 1358 O ALA A 88 -7.369 -2.920 17.375 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.922 -4.791 16.825 1.00 0.00 C ATOM 0 H ALA A 88 -3.335 -3.141 15.918 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.034 -3.758 15.318 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.786 -5.334 17.207 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.397 -5.410 16.098 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.250 -4.551 17.649 1.00 0.00 H new ATOM 1422 N THR A 93 -7.273 4.604 14.326 1.00 0.00 N ATOM 1423 CA THR A 93 -5.903 5.098 14.288 1.00 0.00 C ATOM 1424 C THR A 93 -5.200 4.671 13.004 1.00 0.00 C ATOM 1425 O THR A 93 -5.416 3.568 12.504 1.00 0.00 O ATOM 1426 CB THR A 93 -5.090 4.595 15.496 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.717 5.010 16.715 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.665 5.123 15.447 1.00 0.00 C ATOM 0 HA THR A 93 -5.959 6.186 14.325 1.00 0.00 H new ATOM 0 HB THR A 93 -5.058 3.506 15.457 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.690 5.021 16.595 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.111 4.754 16.310 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.181 4.781 14.532 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.680 6.213 15.464 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.357 5.553 12.476 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.621 5.267 11.250 1.00 0.00 C ATOM 1438 C VAL A 94 -2.137 5.578 11.415 1.00 0.00 C ATOM 1439 O VAL A 94 -1.768 6.622 11.954 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.174 6.074 10.061 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.219 6.007 8.879 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.555 5.569 9.671 1.00 0.00 C ATOM 0 H VAL A 94 -4.167 6.471 12.878 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.747 4.204 11.047 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.266 7.117 10.364 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.627 6.583 8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.253 6.421 9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.092 4.969 8.572 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.931 6.151 8.829 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.491 4.519 9.387 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.234 5.675 10.517 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.292 4.666 10.948 1.00 0.00 N ATOM 1453 CA ILE A 95 0.152 4.844 11.043 1.00 0.00 C ATOM 1454 C ILE A 95 0.764 5.106 9.671 1.00 0.00 C ATOM 1455 O ILE A 95 0.426 4.442 8.691 1.00 0.00 O ATOM 1456 CB ILE A 95 0.831 3.611 11.668 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.407 3.454 13.130 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.344 3.729 11.560 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.120 2.331 13.849 1.00 0.00 C ATOM 0 H ILE A 95 -1.582 3.797 10.500 1.00 0.00 H new ATOM 0 HA ILE A 95 0.322 5.708 11.686 1.00 0.00 H new ATOM 0 HB ILE A 95 0.515 2.723 11.120 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.596 4.389 13.657 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.668 3.276 13.171 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.810 2.850 12.006 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.630 3.798 10.510 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.678 4.623 12.086 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.770 2.279 14.880 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.911 1.387 13.346 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.194 2.517 13.840 1.00 0.00 H new ATOM 1471 N ASP A 96 1.667 6.078 9.609 1.00 0.00 N ATOM 1472 CA ASP A 96 2.330 6.428 8.358 1.00 0.00 C ATOM 1473 C ASP A 96 3.487 5.475 8.071 1.00 0.00 C ATOM 1474 O ASP A 96 4.283 5.165 8.957 1.00 0.00 O ATOM 1475 CB ASP A 96 2.841 7.868 8.411 1.00 0.00 C ATOM 1476 CG ASP A 96 1.714 8.880 8.475 1.00 0.00 C ATOM 1477 OD1 ASP A 96 0.674 8.572 9.093 1.00 0.00 O ATOM 1478 OD2 ASP A 96 1.871 9.981 7.905 1.00 0.00 O ATOM 0 H ASP A 96 1.957 6.638 10.411 1.00 0.00 H new ATOM 0 HA ASP A 96 1.601 6.339 7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.485 7.990 9.282 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.454 8.066 7.531 1.00 0.00 H new ATOM 1483 N TYR A 97 3.572 5.014 6.828 1.00 0.00 N ATOM 1484 CA TYR A 97 4.628 4.093 6.426 1.00 0.00 C ATOM 1485 C TYR A 97 5.634 4.786 5.511 1.00 0.00 C ATOM 1486 O TYR A 97 5.323 5.121 4.369 1.00 0.00 O ATOM 1487 CB TYR A 97 4.031 2.876 5.717 1.00 0.00 C ATOM 1488 CG TYR A 97 5.052 1.816 5.371 1.00 0.00 C ATOM 1489 CD1 TYR A 97 5.948 2.002 4.326 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.119 0.628 6.088 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.882 1.035 4.005 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.050 -0.343 5.776 1.00 0.00 C ATOM 1493 CZ TYR A 97 6.930 -0.135 4.734 1.00 0.00 C ATOM 1494 OH TYR A 97 7.858 -1.101 4.419 1.00 0.00 O ATOM 0 H TYR A 97 2.923 5.263 6.082 1.00 0.00 H new ATOM 0 HA TYR A 97 5.148 3.762 7.325 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.264 2.435 6.353 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.537 3.205 4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.914 2.918 3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.431 0.461 6.904 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.570 1.195 3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.089 -1.260 6.345 1.00 0.00 H new ATOM 0 HH TYR A 97 7.456 -1.755 3.810 1.00 0.00 H new ATOM 1504 N ASN A 98 6.843 4.996 6.023 1.00 0.00 N ATOM 1505 CA ASN A 98 7.896 5.648 5.253 1.00 0.00 C ATOM 1506 C ASN A 98 9.186 4.835 5.299 1.00 0.00 C ATOM 1507 O ASN A 98 10.162 5.235 5.933 1.00 0.00 O ATOM 1508 CB ASN A 98 8.149 7.058 5.789 1.00 0.00 C ATOM 1509 CG ASN A 98 8.001 7.140 7.296 1.00 0.00 C ATOM 1510 OD1 ASN A 98 8.933 6.836 8.040 1.00 0.00 O ATOM 1511 ND2 ASN A 98 6.824 7.551 7.753 1.00 0.00 N ATOM 0 H ASN A 98 7.117 4.724 6.967 1.00 0.00 H new ATOM 0 HA ASN A 98 7.566 5.714 4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 98 9.153 7.376 5.508 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.452 7.752 5.320 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.665 7.625 8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.079 7.793 7.099 1.00 0.00 H new ATOM 1518 N GLY A 99 9.184 3.691 4.622 1.00 0.00 N ATOM 1519 CA GLY A 99 10.359 2.840 4.598 1.00 0.00 C ATOM 1520 C GLY A 99 10.849 2.568 3.190 1.00 0.00 C ATOM 1521 O GLY A 99 10.679 3.396 2.296 1.00 0.00 O ATOM 0 H GLY A 99 8.389 3.338 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.157 3.311 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.129 1.894 5.088 1.00 0.00 H new ATOM 1525 N GLU A 100 11.461 1.404 2.992 1.00 0.00 N ATOM 1526 CA GLU A 100 11.980 1.027 1.683 1.00 0.00 C ATOM 1527 C GLU A 100 10.841 0.767 0.701 1.00 0.00 C ATOM 1528 O GLU A 100 11.038 0.788 -0.515 1.00 0.00 O ATOM 1529 CB GLU A 100 12.862 -0.218 1.798 1.00 0.00 C ATOM 1530 CG GLU A 100 12.162 -1.402 2.444 1.00 0.00 C ATOM 1531 CD GLU A 100 13.136 -2.398 3.044 1.00 0.00 C ATOM 1532 OE1 GLU A 100 13.570 -3.314 2.316 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.462 -2.261 4.242 1.00 0.00 O ATOM 0 H GLU A 100 11.609 0.707 3.721 1.00 0.00 H new ATOM 0 HA GLU A 100 12.580 1.855 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.201 -0.506 0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.751 0.029 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.490 -1.042 3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.545 -1.906 1.699 1.00 0.00 H new ATOM 1540 N ARG A 101 9.649 0.523 1.237 1.00 0.00 N ATOM 1541 CA ARG A 101 8.479 0.258 0.409 1.00 0.00 C ATOM 1542 C ARG A 101 8.729 -0.925 -0.523 1.00 0.00 C ATOM 1543 O ARG A 101 8.415 -0.870 -1.712 1.00 0.00 O ATOM 1544 CB ARG A 101 8.115 1.498 -0.410 1.00 0.00 C ATOM 1545 CG ARG A 101 6.713 1.452 -0.994 1.00 0.00 C ATOM 1546 CD ARG A 101 6.457 2.630 -1.921 1.00 0.00 C ATOM 1547 NE ARG A 101 6.107 3.841 -1.183 1.00 0.00 N ATOM 1548 CZ ARG A 101 6.123 5.057 -1.716 1.00 0.00 C ATOM 1549 NH1 ARG A 101 6.470 5.224 -2.985 1.00 0.00 N ATOM 1550 NH2 ARG A 101 5.792 6.110 -0.980 1.00 0.00 N ATOM 0 H ARG A 101 9.469 0.503 2.241 1.00 0.00 H new ATOM 0 HA ARG A 101 7.647 0.010 1.069 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.207 2.381 0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.834 1.611 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.576 0.520 -1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 101 5.981 1.457 -0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 101 7.346 2.817 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.651 2.380 -2.611 1.00 0.00 H new ATOM 0 HE ARG A 101 5.835 3.747 -0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 101 6.725 4.417 -3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 101 6.481 6.159 -3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 101 5.525 5.986 -0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 101 5.805 7.044 -1.391 1.00 0.00 H new ATOM 1564 N THR A 102 9.297 -1.995 0.026 1.00 0.00 N ATOM 1565 CA THR A 102 9.590 -3.189 -0.755 1.00 0.00 C ATOM 1566 C THR A 102 8.999 -4.433 -0.100 1.00 0.00 C ATOM 1567 O THR A 102 8.857 -4.496 1.122 1.00 0.00 O ATOM 1568 CB THR A 102 11.108 -3.387 -0.929 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.711 -3.688 0.334 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.752 -2.142 -1.521 1.00 0.00 C ATOM 0 H THR A 102 9.563 -2.058 1.009 1.00 0.00 H new ATOM 0 HA THR A 102 9.134 -3.046 -1.735 1.00 0.00 H new ATOM 0 HB THR A 102 11.267 -4.220 -1.614 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.551 -3.191 0.422 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.824 -2.306 -1.635 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.312 -1.933 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.583 -1.294 -0.857 1.00 0.00 H new ATOM 1578 N LEU A 103 8.656 -5.420 -0.920 1.00 0.00 N ATOM 1579 CA LEU A 103 8.080 -6.664 -0.420 1.00 0.00 C ATOM 1580 C LEU A 103 8.782 -7.115 0.857 1.00 0.00 C ATOM 1581 O LEU A 103 8.135 -7.408 1.862 1.00 0.00 O ATOM 1582 CB LEU A 103 8.180 -7.759 -1.484 1.00 0.00 C ATOM 1583 CG LEU A 103 7.585 -9.116 -1.108 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.093 -8.991 -0.846 1.00 0.00 C ATOM 1585 CD2 LEU A 103 7.852 -10.138 -2.204 1.00 0.00 C ATOM 0 H LEU A 103 8.766 -5.384 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 103 7.030 -6.483 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.685 -7.405 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.232 -7.902 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 103 8.066 -9.460 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.687 -9.967 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.925 -8.292 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.595 -8.624 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.421 -11.098 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.399 -9.799 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.927 -10.250 -2.343 1.00 0.00 H new ATOM 1597 N ASP A 104 10.109 -7.166 0.810 1.00 0.00 N ATOM 1598 CA ASP A 104 10.899 -7.577 1.964 1.00 0.00 C ATOM 1599 C ASP A 104 10.880 -6.503 3.047 1.00 0.00 C ATOM 1600 O ASP A 104 11.086 -6.791 4.225 1.00 0.00 O ATOM 1601 CB ASP A 104 12.340 -7.870 1.544 1.00 0.00 C ATOM 1602 CG ASP A 104 12.530 -9.301 1.081 1.00 0.00 C ATOM 1603 OD1 ASP A 104 11.921 -9.679 0.058 1.00 0.00 O ATOM 1604 OD2 ASP A 104 13.287 -10.043 1.742 1.00 0.00 O ATOM 0 H ASP A 104 10.660 -6.928 -0.015 1.00 0.00 H new ATOM 0 HA ASP A 104 10.455 -8.485 2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.626 -7.191 0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.007 -7.671 2.383 1.00 0.00 H new ATOM 1609 N GLY A 105 10.631 -5.262 2.639 1.00 0.00 N ATOM 1610 CA GLY A 105 10.591 -4.164 3.586 1.00 0.00 C ATOM 1611 C GLY A 105 9.308 -4.140 4.392 1.00 0.00 C ATOM 1612 O GLY A 105 9.319 -3.822 5.582 1.00 0.00 O ATOM 0 H GLY A 105 10.456 -4.998 1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.441 -4.242 4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.697 -3.221 3.049 1.00 0.00 H new ATOM 1616 N PHE A 106 8.197 -4.477 3.745 1.00 0.00 N ATOM 1617 CA PHE A 106 6.899 -4.491 4.409 1.00 0.00 C ATOM 1618 C PHE A 106 6.870 -5.531 5.525 1.00 0.00 C ATOM 1619 O PHE A 106 6.342 -5.282 6.609 1.00 0.00 O ATOM 1620 CB PHE A 106 5.788 -4.780 3.398 1.00 0.00 C ATOM 1621 CG PHE A 106 5.649 -3.722 2.341 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.652 -2.379 2.682 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.515 -4.070 1.007 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.524 -1.404 1.712 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.386 -3.099 0.032 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.392 -1.764 0.385 1.00 0.00 C ATOM 0 H PHE A 106 8.170 -4.744 2.761 1.00 0.00 H new ATOM 0 HA PHE A 106 6.733 -3.507 4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 106 5.985 -5.738 2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.841 -4.878 3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.756 -2.091 3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.511 -5.113 0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.527 -0.361 1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.281 -3.384 -1.004 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.294 -1.003 -0.375 1.00 0.00 H new ATOM 1636 N LYS A 107 7.442 -6.699 5.252 1.00 0.00 N ATOM 1637 CA LYS A 107 7.484 -7.779 6.230 1.00 0.00 C ATOM 1638 C LYS A 107 8.111 -7.305 7.537 1.00 0.00 C ATOM 1639 O LYS A 107 7.623 -7.620 8.623 1.00 0.00 O ATOM 1640 CB LYS A 107 8.272 -8.968 5.676 1.00 0.00 C ATOM 1641 CG LYS A 107 7.707 -9.520 4.379 1.00 0.00 C ATOM 1642 CD LYS A 107 7.984 -11.008 4.239 1.00 0.00 C ATOM 1643 CE LYS A 107 7.900 -11.456 2.788 1.00 0.00 C ATOM 1644 NZ LYS A 107 7.601 -12.911 2.673 1.00 0.00 N ATOM 0 H LYS A 107 7.883 -6.922 4.360 1.00 0.00 H new ATOM 0 HA LYS A 107 6.460 -8.093 6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.306 -8.663 5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.288 -9.762 6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.632 -9.344 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.144 -8.987 3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.975 -11.234 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.267 -11.571 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.126 -10.885 2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.842 -11.238 2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.410 -13.398 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.427 -13.306 3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.757 -13.046 2.081 1.00 0.00 H new ATOM 1658 N LYS A 108 9.195 -6.544 7.426 1.00 0.00 N ATOM 1659 CA LYS A 108 9.888 -6.023 8.598 1.00 0.00 C ATOM 1660 C LYS A 108 8.968 -5.127 9.421 1.00 0.00 C ATOM 1661 O LYS A 108 8.802 -5.329 10.624 1.00 0.00 O ATOM 1662 CB LYS A 108 11.133 -5.241 8.174 1.00 0.00 C ATOM 1663 CG LYS A 108 11.975 -5.956 7.132 1.00 0.00 C ATOM 1664 CD LYS A 108 13.389 -5.402 7.081 1.00 0.00 C ATOM 1665 CE LYS A 108 14.160 -5.726 8.352 1.00 0.00 C ATOM 1666 NZ LYS A 108 13.990 -4.671 9.389 1.00 0.00 N ATOM 0 H LYS A 108 9.613 -6.274 6.535 1.00 0.00 H new ATOM 0 HA LYS A 108 10.190 -6.869 9.216 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.826 -4.273 7.779 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.747 -5.047 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.009 -7.022 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.508 -5.854 6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.913 -5.817 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.353 -4.322 6.941 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.820 -6.683 8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.219 -5.836 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.923 -4.386 9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.514 -3.846 8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.414 -5.043 10.171 1.00 0.00 H new ATOM 1680 N PHE A 109 8.370 -4.138 8.765 1.00 0.00 N ATOM 1681 CA PHE A 109 7.466 -3.212 9.436 1.00 0.00 C ATOM 1682 C PHE A 109 6.346 -3.965 10.148 1.00 0.00 C ATOM 1683 O PHE A 109 6.016 -3.669 11.297 1.00 0.00 O ATOM 1684 CB PHE A 109 6.873 -2.225 8.429 1.00 0.00 C ATOM 1685 CG PHE A 109 6.052 -1.140 9.065 1.00 0.00 C ATOM 1686 CD1 PHE A 109 6.650 0.027 9.514 1.00 0.00 C ATOM 1687 CD2 PHE A 109 4.682 -1.286 9.213 1.00 0.00 C ATOM 1688 CE1 PHE A 109 5.897 1.027 10.100 1.00 0.00 C ATOM 1689 CE2 PHE A 109 3.924 -0.289 9.798 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.532 0.869 10.241 1.00 0.00 C ATOM 0 H PHE A 109 8.495 -3.957 7.769 1.00 0.00 H new ATOM 0 HA PHE A 109 8.039 -2.660 10.181 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.683 -1.770 7.859 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.251 -2.771 7.720 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.717 0.156 9.405 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.201 -2.189 8.867 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.375 1.931 10.447 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.857 -0.416 9.908 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.941 1.650 10.697 1.00 0.00 H new ATOM 1700 N LEU A 110 5.763 -4.938 9.456 1.00 0.00 N ATOM 1701 CA LEU A 110 4.679 -5.734 10.020 1.00 0.00 C ATOM 1702 C LEU A 110 5.180 -6.597 11.174 1.00 0.00 C ATOM 1703 O LEU A 110 4.761 -6.424 12.318 1.00 0.00 O ATOM 1704 CB LEU A 110 4.055 -6.619 8.940 1.00 0.00 C ATOM 1705 CG LEU A 110 3.420 -5.888 7.757 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.283 -6.820 6.563 1.00 0.00 C ATOM 1707 CD2 LEU A 110 2.064 -5.317 8.148 1.00 0.00 C ATOM 0 H LEU A 110 6.023 -5.194 8.504 1.00 0.00 H new ATOM 0 HA LEU A 110 3.921 -5.051 10.404 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.826 -7.288 8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.293 -7.244 9.406 1.00 0.00 H new ATOM 0 HG LEU A 110 4.072 -5.062 7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.829 -6.281 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.268 -7.180 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.653 -7.668 6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.627 -4.800 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.404 -6.127 8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.189 -4.614 8.972 1.00 0.00 H new ATOM 1719 N GLU A 111 6.081 -7.524 10.865 1.00 0.00 N ATOM 1720 CA GLU A 111 6.640 -8.413 11.877 1.00 0.00 C ATOM 1721 C GLU A 111 6.864 -7.669 13.190 1.00 0.00 C ATOM 1722 O GLU A 111 6.636 -8.212 14.271 1.00 0.00 O ATOM 1723 CB GLU A 111 7.960 -9.013 11.388 1.00 0.00 C ATOM 1724 CG GLU A 111 7.780 -10.144 10.389 1.00 0.00 C ATOM 1725 CD GLU A 111 8.978 -11.073 10.337 1.00 0.00 C ATOM 1726 OE1 GLU A 111 9.165 -11.855 11.292 1.00 0.00 O ATOM 1727 OE2 GLU A 111 9.729 -11.016 9.341 1.00 0.00 O ATOM 0 H GLU A 111 6.439 -7.679 9.923 1.00 0.00 H new ATOM 0 HA GLU A 111 5.926 -9.218 12.051 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.560 -8.226 10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.521 -9.383 12.246 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.891 -10.718 10.652 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.607 -9.724 9.398 1.00 0.00 H new ATOM 1734 N SER A 112 7.312 -6.421 13.088 1.00 0.00 N ATOM 1735 CA SER A 112 7.571 -5.603 14.267 1.00 0.00 C ATOM 1736 C SER A 112 6.271 -5.270 14.993 1.00 0.00 C ATOM 1737 O SER A 112 6.196 -5.342 16.219 1.00 0.00 O ATOM 1738 CB SER A 112 8.293 -4.314 13.871 1.00 0.00 C ATOM 1739 OG SER A 112 9.460 -4.594 13.118 1.00 0.00 O ATOM 0 H SER A 112 7.503 -5.955 12.201 1.00 0.00 H new ATOM 0 HA SER A 112 8.208 -6.174 14.943 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.623 -3.683 13.288 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.560 -3.753 14.767 1.00 0.00 H new ATOM 0 HG SER A 112 9.229 -4.659 12.168 1.00 0.00 H new ATOM 1745 N GLY A 113 5.249 -4.903 14.226 1.00 0.00 N ATOM 1746 CA GLY A 113 3.966 -4.564 14.812 1.00 0.00 C ATOM 1747 C GLY A 113 3.567 -3.126 14.541 1.00 0.00 C ATOM 1748 O GLY A 113 2.927 -2.485 15.373 1.00 0.00 O ATOM 0 H GLY A 113 5.287 -4.834 13.209 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.201 -5.231 14.415 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.006 -4.730 15.889 1.00 0.00 H new ATOM 1752 N GLY A 114 3.948 -2.618 13.373 1.00 0.00 N ATOM 1753 CA GLY A 114 3.619 -1.250 13.017 1.00 0.00 C ATOM 1754 C GLY A 114 4.175 -0.244 14.005 1.00 0.00 C ATOM 1755 O GLY A 114 3.514 0.740 14.336 1.00 0.00 O ATOM 0 H GLY A 114 4.478 -3.129 12.667 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.010 -1.033 12.023 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.536 -1.142 12.964 1.00 0.00 H new