USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 961 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 100 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 104 MET CE :methyl -149:sc= -1.43 (180deg=-2.62!) USER MOD Set 2.1: A 78 LYS NZ :NH3+ -140:sc= 1.07 (180deg=-0.000463) USER MOD Set 2.2: A 91 TYR OH : rot 141:sc= 0.209 USER MOD Set 3.1: A 69 ASN : amide:sc= -0.518 K(o=-0.11,f=-2.8!) USER MOD Set 3.2: A 71 SER OG : rot 109:sc= 0.405 USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= -3.28! (180deg=-3.99!) USER MOD Single : A 14 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-4.8!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-1.8!) USER MOD Single : A 36 LYS NZ :NH3+ -139:sc= 0.988 (180deg=0.171) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc=-0.00511 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.68) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.758 K(o=-0.76,f=-0.22) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -71:sc= 0.934 USER MOD Single : A 73 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.19) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 180:sc= -2.93 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -142:sc= -2.2 (180deg=-7.06!) USER MOD Single : A 88 SER OG : rot 140:sc= 0 USER MOD Single : A 94 CYS SG : rot -120:sc= -0.984 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= -3.1 K(o=-3.1,f=-12!) USER MOD Single : A 99 GLN : amide:sc= -0.0528 K(o=-0.053,f=-1.4!) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.0936 USER MOD Single : A 116 MET CE :methyl -135:sc= -0.0855 (180deg=-2.84!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 140:sc= 0.0908 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.0808 K(o=-0.081,f=-0.89) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 16.208 -2.894 9.623 1.00 0.00 N ATOM 67 CA ILE A 8 14.974 -2.194 9.288 1.00 0.00 C ATOM 68 C ILE A 8 14.216 -2.917 8.179 1.00 0.00 C ATOM 69 O ILE A 8 14.591 -2.874 7.007 1.00 0.00 O ATOM 70 CB ILE A 8 15.250 -0.745 8.845 1.00 0.00 C ATOM 71 CG1 ILE A 8 15.685 0.103 10.042 1.00 0.00 C ATOM 72 CG2 ILE A 8 14.016 -0.148 8.186 1.00 0.00 C ATOM 73 CD1 ILE A 8 14.548 0.462 10.973 1.00 0.00 C ATOM 0 HA ILE A 8 14.365 -2.179 10.192 1.00 0.00 H new ATOM 0 HB ILE A 8 16.060 -0.752 8.115 1.00 0.00 H new ATOM 0 HG12 ILE A 8 16.446 -0.439 10.603 1.00 0.00 H new ATOM 0 HG13 ILE A 8 16.149 1.020 9.678 1.00 0.00 H new ATOM 0 HG21 ILE A 8 14.227 0.876 7.879 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.747 -0.741 7.312 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.188 -0.151 8.895 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.930 1.063 11.798 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.796 1.031 10.426 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.098 -0.450 11.366 1.00 0.00 H new ATOM 85 N PRO A 9 13.122 -3.596 8.555 1.00 0.00 N ATOM 86 CA PRO A 9 12.287 -4.339 7.607 1.00 0.00 C ATOM 87 C PRO A 9 11.513 -3.417 6.671 1.00 0.00 C ATOM 88 O PRO A 9 10.641 -2.665 7.106 1.00 0.00 O ATOM 89 CB PRO A 9 11.324 -5.112 8.513 1.00 0.00 C ATOM 90 CG PRO A 9 11.257 -4.309 9.766 1.00 0.00 C ATOM 91 CD PRO A 9 12.616 -3.689 9.935 1.00 0.00 C ATOM 0 HA PRO A 9 12.881 -4.976 6.952 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.341 -5.211 8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.688 -6.121 8.708 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.485 -3.543 9.697 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.007 -4.939 10.620 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.555 -2.709 10.407 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.264 -4.304 10.560 1.00 0.00 H new ATOM 99 N GLU A 10 11.836 -3.482 5.383 1.00 0.00 N ATOM 100 CA GLU A 10 11.170 -2.653 4.386 1.00 0.00 C ATOM 101 C GLU A 10 10.675 -3.499 3.216 1.00 0.00 C ATOM 102 O GLU A 10 11.218 -4.569 2.936 1.00 0.00 O ATOM 103 CB GLU A 10 12.120 -1.566 3.877 1.00 0.00 C ATOM 104 CG GLU A 10 12.486 -0.535 4.932 1.00 0.00 C ATOM 105 CD GLU A 10 13.856 0.073 4.702 1.00 0.00 C ATOM 106 OE1 GLU A 10 14.862 -0.649 4.870 1.00 0.00 O ATOM 107 OE2 GLU A 10 13.922 1.270 4.355 1.00 0.00 O ATOM 0 H GLU A 10 12.555 -4.100 5.006 1.00 0.00 H new ATOM 0 HA GLU A 10 10.309 -2.181 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.032 -2.036 3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.658 -1.059 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.737 0.257 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.461 -1.003 5.916 1.00 0.00 H new ATOM 114 N LEU A 11 9.642 -3.013 2.538 1.00 0.00 N ATOM 115 CA LEU A 11 9.072 -3.724 1.399 1.00 0.00 C ATOM 116 C LEU A 11 9.414 -3.019 0.090 1.00 0.00 C ATOM 117 O LEU A 11 9.494 -1.792 0.036 1.00 0.00 O ATOM 118 CB LEU A 11 7.554 -3.836 1.549 1.00 0.00 C ATOM 119 CG LEU A 11 7.040 -5.085 2.266 1.00 0.00 C ATOM 120 CD1 LEU A 11 5.745 -4.783 3.003 1.00 0.00 C ATOM 121 CD2 LEU A 11 6.840 -6.223 1.276 1.00 0.00 C ATOM 0 H LEU A 11 9.182 -2.129 2.757 1.00 0.00 H new ATOM 0 HA LEU A 11 9.503 -4.725 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.197 -2.959 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.107 -3.802 0.555 1.00 0.00 H new ATOM 0 HG LEU A 11 7.786 -5.394 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.395 -5.684 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.920 -3.999 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.990 -4.449 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.474 -7.104 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.113 -5.924 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.789 -6.457 0.794 1.00 0.00 H new ATOM 133 N LYS A 12 9.614 -3.803 -0.964 1.00 0.00 N ATOM 134 CA LYS A 12 9.944 -3.255 -2.274 1.00 0.00 C ATOM 135 C LYS A 12 9.059 -3.864 -3.357 1.00 0.00 C ATOM 136 O LYS A 12 9.240 -5.018 -3.744 1.00 0.00 O ATOM 137 CB LYS A 12 11.417 -3.512 -2.601 1.00 0.00 C ATOM 138 CG LYS A 12 12.380 -2.805 -1.663 1.00 0.00 C ATOM 139 CD LYS A 12 12.233 -1.295 -1.747 1.00 0.00 C ATOM 140 CE LYS A 12 13.548 -0.589 -1.453 1.00 0.00 C ATOM 141 NZ LYS A 12 13.481 0.864 -1.773 1.00 0.00 N ATOM 0 H LYS A 12 9.553 -4.821 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 12 9.766 -2.180 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.607 -4.585 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.615 -3.189 -3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.199 -3.133 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.403 -3.086 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.884 -1.017 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.474 -0.962 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.802 -0.718 -0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.346 -1.052 -2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.439 1.268 -1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.069 0.992 -2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.888 1.348 -1.068 1.00 0.00 H new ATOM 155 N ASP A 13 8.103 -3.080 -3.843 1.00 0.00 N ATOM 156 CA ASP A 13 7.191 -3.541 -4.883 1.00 0.00 C ATOM 157 C ASP A 13 6.305 -2.400 -5.374 1.00 0.00 C ATOM 158 O ASP A 13 5.879 -1.550 -4.591 1.00 0.00 O ATOM 159 CB ASP A 13 6.325 -4.688 -4.361 1.00 0.00 C ATOM 160 CG ASP A 13 7.004 -6.036 -4.500 1.00 0.00 C ATOM 161 OD1 ASP A 13 7.436 -6.369 -5.623 1.00 0.00 O ATOM 162 OD2 ASP A 13 7.102 -6.759 -3.486 1.00 0.00 O ATOM 0 H ASP A 13 7.940 -2.122 -3.533 1.00 0.00 H new ATOM 0 HA ASP A 13 7.788 -3.900 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.087 -4.511 -3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.380 -4.703 -4.905 1.00 0.00 H new ATOM 167 N HIS A 14 6.031 -2.387 -6.675 1.00 0.00 N ATOM 168 CA HIS A 14 5.195 -1.351 -7.270 1.00 0.00 C ATOM 169 C HIS A 14 3.797 -1.884 -7.568 1.00 0.00 C ATOM 170 O HIS A 14 3.623 -2.757 -8.418 1.00 0.00 O ATOM 171 CB HIS A 14 5.837 -0.823 -8.554 1.00 0.00 C ATOM 172 CG HIS A 14 4.876 -0.112 -9.456 1.00 0.00 C ATOM 173 ND1 HIS A 14 4.404 -0.657 -10.631 1.00 0.00 N ATOM 174 CD2 HIS A 14 4.297 1.106 -9.348 1.00 0.00 C ATOM 175 CE1 HIS A 14 3.577 0.197 -11.208 1.00 0.00 C ATOM 176 NE2 HIS A 14 3.494 1.275 -10.449 1.00 0.00 N ATOM 0 H HIS A 14 6.376 -3.082 -7.337 1.00 0.00 H new ATOM 0 HA HIS A 14 5.107 -0.534 -6.554 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.648 -0.143 -8.292 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.283 -1.656 -9.097 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.440 1.814 -8.545 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.057 0.040 -12.142 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.926 2.099 -10.648 1.00 0.00 H new ATOM 185 N LEU A 15 2.805 -1.354 -6.862 1.00 0.00 N ATOM 186 CA LEU A 15 1.421 -1.777 -7.050 1.00 0.00 C ATOM 187 C LEU A 15 0.746 -0.959 -8.147 1.00 0.00 C ATOM 188 O LEU A 15 1.384 -0.135 -8.803 1.00 0.00 O ATOM 189 CB LEU A 15 0.642 -1.637 -5.741 1.00 0.00 C ATOM 190 CG LEU A 15 1.284 -2.272 -4.507 1.00 0.00 C ATOM 191 CD1 LEU A 15 0.896 -1.507 -3.251 1.00 0.00 C ATOM 192 CD2 LEU A 15 0.882 -3.734 -4.389 1.00 0.00 C ATOM 0 H LEU A 15 2.932 -0.631 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 15 1.425 -2.824 -7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.492 -0.576 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.345 -2.078 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 15 2.367 -2.222 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.362 -1.973 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.235 -0.475 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.188 -1.525 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.348 -4.169 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.202 -3.807 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.211 -4.275 -5.276 1.00 0.00 H new ATOM 204 N ARG A 16 -0.548 -1.191 -8.339 1.00 0.00 N ATOM 205 CA ARG A 16 -1.310 -0.475 -9.355 1.00 0.00 C ATOM 206 C ARG A 16 -1.756 0.890 -8.839 1.00 0.00 C ATOM 207 O ARG A 16 -2.539 0.982 -7.893 1.00 0.00 O ATOM 208 CB ARG A 16 -2.530 -1.294 -9.780 1.00 0.00 C ATOM 209 CG ARG A 16 -2.259 -2.231 -10.945 1.00 0.00 C ATOM 210 CD ARG A 16 -3.548 -2.817 -11.501 1.00 0.00 C ATOM 211 NE ARG A 16 -3.306 -4.024 -12.287 1.00 0.00 N ATOM 212 CZ ARG A 16 -2.802 -4.011 -13.516 1.00 0.00 C ATOM 213 NH1 ARG A 16 -2.489 -2.861 -14.096 1.00 0.00 N ATOM 214 NH2 ARG A 16 -2.611 -5.151 -14.168 1.00 0.00 N ATOM 0 H ARG A 16 -1.091 -1.869 -7.804 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.663 -0.324 -10.219 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.879 -1.878 -8.929 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.337 -0.614 -10.052 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.734 -1.691 -11.733 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.602 -3.038 -10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.225 -3.049 -10.679 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.046 -2.073 -12.123 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.536 -4.926 -11.870 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.635 -1.983 -13.599 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.102 -2.854 -15.040 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.851 -6.038 -13.725 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.224 -5.140 -15.112 1.00 0.00 H new ATOM 228 N ILE A 17 -1.252 1.947 -9.467 1.00 0.00 N ATOM 229 CA ILE A 17 -1.598 3.307 -9.071 1.00 0.00 C ATOM 230 C ILE A 17 -2.344 4.031 -10.187 1.00 0.00 C ATOM 231 O ILE A 17 -1.827 4.188 -11.294 1.00 0.00 O ATOM 232 CB ILE A 17 -0.345 4.120 -8.695 1.00 0.00 C ATOM 233 CG1 ILE A 17 0.188 3.674 -7.332 1.00 0.00 C ATOM 234 CG2 ILE A 17 -0.663 5.608 -8.684 1.00 0.00 C ATOM 235 CD1 ILE A 17 1.308 4.546 -6.807 1.00 0.00 C ATOM 0 H ILE A 17 -0.603 1.888 -10.252 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.245 3.227 -8.197 1.00 0.00 H new ATOM 0 HB ILE A 17 0.426 3.939 -9.443 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.631 3.675 -6.612 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.543 2.646 -7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.232 6.169 -8.417 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.002 5.915 -9.673 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.448 5.807 -7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.637 4.171 -5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.144 4.525 -7.507 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.951 5.570 -6.698 1.00 0.00 H new ATOM 247 N PHE A 18 -3.562 4.471 -9.889 1.00 0.00 N ATOM 248 CA PHE A 18 -4.380 5.179 -10.866 1.00 0.00 C ATOM 249 C PHE A 18 -4.784 6.554 -10.342 1.00 0.00 C ATOM 250 O PHE A 18 -5.229 6.690 -9.202 1.00 0.00 O ATOM 251 CB PHE A 18 -5.628 4.363 -11.206 1.00 0.00 C ATOM 252 CG PHE A 18 -6.630 5.115 -12.034 1.00 0.00 C ATOM 253 CD1 PHE A 18 -6.334 5.483 -13.337 1.00 0.00 C ATOM 254 CD2 PHE A 18 -7.867 5.455 -11.511 1.00 0.00 C ATOM 255 CE1 PHE A 18 -7.253 6.176 -14.103 1.00 0.00 C ATOM 256 CE2 PHE A 18 -8.790 6.147 -12.272 1.00 0.00 C ATOM 257 CZ PHE A 18 -8.482 6.509 -13.569 1.00 0.00 C ATOM 0 H PHE A 18 -4.004 4.349 -8.978 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.786 5.314 -11.770 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.328 3.463 -11.742 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.104 4.039 -10.280 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.374 5.225 -13.759 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.113 5.176 -10.497 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.010 6.456 -15.117 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.751 6.405 -11.853 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.201 7.052 -14.164 1.00 0.00 H new ATOM 267 N ARG A 19 -4.626 7.571 -11.183 1.00 0.00 N ATOM 268 CA ARG A 19 -4.973 8.936 -10.806 1.00 0.00 C ATOM 269 C ARG A 19 -5.792 9.612 -11.901 1.00 0.00 C ATOM 270 O ARG A 19 -5.255 10.229 -12.821 1.00 0.00 O ATOM 271 CB ARG A 19 -3.707 9.748 -10.527 1.00 0.00 C ATOM 272 CG ARG A 19 -3.047 9.412 -9.199 1.00 0.00 C ATOM 273 CD ARG A 19 -3.865 9.926 -8.025 1.00 0.00 C ATOM 274 NE ARG A 19 -3.570 11.324 -7.723 1.00 0.00 N ATOM 275 CZ ARG A 19 -4.202 12.023 -6.787 1.00 0.00 C ATOM 276 NH1 ARG A 19 -5.159 11.457 -6.065 1.00 0.00 N ATOM 277 NH2 ARG A 19 -3.877 13.291 -6.571 1.00 0.00 N ATOM 0 H ARG A 19 -4.260 7.475 -12.130 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.577 8.893 -9.899 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.992 9.578 -11.332 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.956 10.809 -10.541 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.926 8.332 -9.115 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.049 9.848 -9.167 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.927 9.820 -8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.662 9.314 -7.146 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.838 11.789 -8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.412 10.482 -6.228 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.643 11.996 -5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.141 13.730 -7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.363 13.827 -5.852 1.00 0.00 H new ATOM 291 N PRO A 20 -7.125 9.493 -11.803 1.00 0.00 N ATOM 292 CA PRO A 20 -8.047 10.085 -12.776 1.00 0.00 C ATOM 293 C PRO A 20 -8.078 11.608 -12.693 1.00 0.00 C ATOM 294 O PRO A 20 -8.835 12.262 -13.409 1.00 0.00 O ATOM 295 CB PRO A 20 -9.405 9.500 -12.381 1.00 0.00 C ATOM 296 CG PRO A 20 -9.269 9.172 -10.934 1.00 0.00 C ATOM 297 CD PRO A 20 -7.834 8.771 -10.733 1.00 0.00 C ATOM 0 HA PRO A 20 -7.754 9.862 -13.802 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.209 10.216 -12.551 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.640 8.612 -12.968 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.525 10.031 -10.314 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.943 8.363 -10.652 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.471 9.058 -9.746 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.702 7.693 -10.820 1.00 0.00 H new ATOM 432 N TYR A 28 -2.239 3.203 -15.521 1.00 0.00 N ATOM 433 CA TYR A 28 -1.116 2.983 -14.617 1.00 0.00 C ATOM 434 C TYR A 28 0.212 3.178 -15.341 1.00 0.00 C ATOM 435 O TYR A 28 0.283 3.092 -16.567 1.00 0.00 O ATOM 436 CB TYR A 28 -1.183 1.576 -14.020 1.00 0.00 C ATOM 437 CG TYR A 28 -2.554 1.202 -13.504 1.00 0.00 C ATOM 438 CD1 TYR A 28 -2.922 1.476 -12.192 1.00 0.00 C ATOM 439 CD2 TYR A 28 -3.481 0.574 -14.327 1.00 0.00 C ATOM 440 CE1 TYR A 28 -4.173 1.135 -11.716 1.00 0.00 C ATOM 441 CE2 TYR A 28 -4.735 0.231 -13.859 1.00 0.00 C ATOM 442 CZ TYR A 28 -5.076 0.514 -12.553 1.00 0.00 C ATOM 443 OH TYR A 28 -6.324 0.173 -12.083 1.00 0.00 O ATOM 0 HA TYR A 28 -1.181 3.715 -13.812 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.880 0.854 -14.778 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.464 1.502 -13.204 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.218 1.964 -11.534 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.217 0.350 -15.350 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.443 1.354 -10.693 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.444 -0.256 -14.512 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.838 -0.255 -12.799 1.00 0.00 H new ATOM 453 N ARG A 29 1.264 3.441 -14.572 1.00 0.00 N ATOM 454 CA ARG A 29 2.591 3.649 -15.139 1.00 0.00 C ATOM 455 C ARG A 29 3.658 2.957 -14.294 1.00 0.00 C ATOM 456 O ARG A 29 3.541 2.883 -13.071 1.00 0.00 O ATOM 457 CB ARG A 29 2.897 5.144 -15.241 1.00 0.00 C ATOM 458 CG ARG A 29 1.997 5.885 -16.215 1.00 0.00 C ATOM 459 CD ARG A 29 2.603 7.215 -16.634 1.00 0.00 C ATOM 460 NE ARG A 29 1.596 8.138 -17.151 1.00 0.00 N ATOM 461 CZ ARG A 29 1.888 9.226 -17.855 1.00 0.00 C ATOM 462 NH1 ARG A 29 3.151 9.525 -18.125 1.00 0.00 N ATOM 463 NH2 ARG A 29 0.916 10.016 -18.291 1.00 0.00 N ATOM 0 H ARG A 29 1.223 3.515 -13.556 1.00 0.00 H new ATOM 0 HA ARG A 29 2.604 3.214 -16.138 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.798 5.595 -14.253 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.935 5.274 -15.548 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.828 5.267 -17.097 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.024 6.057 -15.754 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.106 7.669 -15.780 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.362 7.043 -17.397 1.00 0.00 H new ATOM 0 HE ARG A 29 0.614 7.936 -16.961 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.901 8.919 -17.792 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.373 10.361 -18.666 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.057 9.788 -18.086 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.141 10.851 -18.831 1.00 0.00 H new ATOM 477 N GLN A 30 4.694 2.453 -14.956 1.00 0.00 N ATOM 478 CA GLN A 30 5.779 1.766 -14.265 1.00 0.00 C ATOM 479 C GLN A 30 6.443 2.685 -13.245 1.00 0.00 C ATOM 480 O GLN A 30 7.431 3.356 -13.549 1.00 0.00 O ATOM 481 CB GLN A 30 6.818 1.267 -15.272 1.00 0.00 C ATOM 482 CG GLN A 30 7.814 0.283 -14.681 1.00 0.00 C ATOM 483 CD GLN A 30 8.576 -0.484 -15.743 1.00 0.00 C ATOM 484 OE1 GLN A 30 9.091 0.099 -16.698 1.00 0.00 O ATOM 485 NE2 GLN A 30 8.653 -1.800 -15.583 1.00 0.00 N ATOM 0 H GLN A 30 4.805 2.507 -15.968 1.00 0.00 H new ATOM 0 HA GLN A 30 5.356 0.912 -13.736 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.303 0.793 -16.108 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.360 2.122 -15.676 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.521 0.822 -14.050 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.286 -0.421 -14.038 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.212 -2.242 -14.777 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.154 -2.368 -16.266 1.00 0.00 H new ATOM 494 N HIS A 31 5.895 2.712 -12.035 1.00 0.00 N ATOM 495 CA HIS A 31 6.435 3.549 -10.969 1.00 0.00 C ATOM 496 C HIS A 31 7.103 2.697 -9.895 1.00 0.00 C ATOM 497 O HIS A 31 6.903 1.484 -9.837 1.00 0.00 O ATOM 498 CB HIS A 31 5.325 4.397 -10.347 1.00 0.00 C ATOM 499 CG HIS A 31 4.845 5.502 -11.237 1.00 0.00 C ATOM 500 ND1 HIS A 31 4.134 6.588 -10.772 1.00 0.00 N ATOM 501 CD2 HIS A 31 4.978 5.685 -12.572 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.850 7.391 -11.782 1.00 0.00 C ATOM 503 NE2 HIS A 31 4.351 6.865 -12.885 1.00 0.00 N ATOM 0 H HIS A 31 5.077 2.164 -11.768 1.00 0.00 H new ATOM 0 HA HIS A 31 7.186 4.209 -11.403 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.483 3.752 -10.097 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.687 4.826 -9.412 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.483 5.025 -13.262 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.302 8.319 -11.717 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.283 7.270 -13.819 1.00 0.00 H new ATOM 512 N TRP A 32 7.898 3.340 -9.047 1.00 0.00 N ATOM 513 CA TRP A 32 8.597 2.640 -7.975 1.00 0.00 C ATOM 514 C TRP A 32 8.041 3.038 -6.612 1.00 0.00 C ATOM 515 O TRP A 32 8.020 4.217 -6.260 1.00 0.00 O ATOM 516 CB TRP A 32 10.096 2.940 -8.035 1.00 0.00 C ATOM 517 CG TRP A 32 10.900 2.147 -7.049 1.00 0.00 C ATOM 518 CD1 TRP A 32 11.771 2.637 -6.119 1.00 0.00 C ATOM 519 CD2 TRP A 32 10.907 0.723 -6.898 1.00 0.00 C ATOM 520 NE1 TRP A 32 12.321 1.604 -5.399 1.00 0.00 N ATOM 521 CE2 TRP A 32 11.806 0.420 -5.856 1.00 0.00 C ATOM 522 CE3 TRP A 32 10.241 -0.325 -7.539 1.00 0.00 C ATOM 523 CZ2 TRP A 32 12.054 -0.887 -5.445 1.00 0.00 C ATOM 524 CZ3 TRP A 32 10.489 -1.621 -7.129 1.00 0.00 C ATOM 525 CH2 TRP A 32 11.388 -1.893 -6.090 1.00 0.00 C ATOM 0 H TRP A 32 8.075 4.344 -9.081 1.00 0.00 H new ATOM 0 HA TRP A 32 8.442 1.570 -8.112 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.461 2.733 -9.041 1.00 0.00 H new ATOM 0 HB3 TRP A 32 10.254 4.003 -7.851 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.995 3.683 -5.971 1.00 0.00 H new ATOM 0 HE1 TRP A 32 13.002 1.703 -4.646 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.545 -0.126 -8.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 12.748 -1.099 -4.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 9.981 -2.439 -7.618 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.559 -2.917 -5.792 1.00 0.00 H new ATOM 536 N VAL A 33 7.591 2.047 -5.849 1.00 0.00 N ATOM 537 CA VAL A 33 7.035 2.294 -4.524 1.00 0.00 C ATOM 538 C VAL A 33 7.872 1.619 -3.443 1.00 0.00 C ATOM 539 O VAL A 33 8.512 0.596 -3.686 1.00 0.00 O ATOM 540 CB VAL A 33 5.583 1.792 -4.421 1.00 0.00 C ATOM 541 CG1 VAL A 33 4.975 2.186 -3.084 1.00 0.00 C ATOM 542 CG2 VAL A 33 4.751 2.332 -5.574 1.00 0.00 C ATOM 0 H VAL A 33 7.601 1.065 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 33 7.050 3.373 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 33 5.587 0.704 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.949 1.823 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.559 1.747 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.981 3.272 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.727 1.968 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.752 3.422 -5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.176 1.994 -6.519 1.00 0.00 H new ATOM 552 N VAL A 34 7.863 2.199 -2.247 1.00 0.00 N ATOM 553 CA VAL A 34 8.620 1.653 -1.126 1.00 0.00 C ATOM 554 C VAL A 34 7.906 1.909 0.196 1.00 0.00 C ATOM 555 O VAL A 34 7.628 3.055 0.553 1.00 0.00 O ATOM 556 CB VAL A 34 10.035 2.257 -1.058 1.00 0.00 C ATOM 557 CG1 VAL A 34 10.776 1.744 0.168 1.00 0.00 C ATOM 558 CG2 VAL A 34 10.810 1.944 -2.329 1.00 0.00 C ATOM 0 H VAL A 34 7.340 3.047 -2.029 1.00 0.00 H new ATOM 0 HA VAL A 34 8.699 0.578 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 34 9.945 3.340 -0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.774 2.181 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.228 2.024 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.857 0.658 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.807 2.379 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.892 0.864 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.287 2.365 -3.187 1.00 0.00 H new ATOM 568 N PHE A 35 7.611 0.835 0.920 1.00 0.00 N ATOM 569 CA PHE A 35 6.928 0.942 2.204 1.00 0.00 C ATOM 570 C PHE A 35 7.930 0.952 3.355 1.00 0.00 C ATOM 571 O PHE A 35 8.658 -0.018 3.568 1.00 0.00 O ATOM 572 CB PHE A 35 5.943 -0.216 2.381 1.00 0.00 C ATOM 573 CG PHE A 35 5.407 -0.339 3.779 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.737 0.718 4.373 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.574 -1.511 4.498 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.242 0.608 5.659 1.00 0.00 C ATOM 577 CE2 PHE A 35 5.081 -1.627 5.784 1.00 0.00 C ATOM 578 CZ PHE A 35 4.415 -0.566 6.366 1.00 0.00 C ATOM 0 H PHE A 35 7.834 -0.120 0.640 1.00 0.00 H new ATOM 0 HA PHE A 35 6.378 1.883 2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.110 -0.082 1.691 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.437 -1.148 2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.600 1.639 3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.095 -2.343 4.049 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.721 1.439 6.110 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.216 -2.547 6.334 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.030 -0.654 7.371 1.00 0.00 H new ATOM 588 N LYS A 36 7.964 2.056 4.093 1.00 0.00 N ATOM 589 CA LYS A 36 8.876 2.195 5.222 1.00 0.00 C ATOM 590 C LYS A 36 8.165 1.889 6.536 1.00 0.00 C ATOM 591 O LYS A 36 6.941 1.982 6.626 1.00 0.00 O ATOM 592 CB LYS A 36 9.459 3.609 5.262 1.00 0.00 C ATOM 593 CG LYS A 36 10.456 3.824 6.388 1.00 0.00 C ATOM 594 CD LYS A 36 11.737 3.041 6.156 1.00 0.00 C ATOM 595 CE LYS A 36 12.892 3.609 6.966 1.00 0.00 C ATOM 596 NZ LYS A 36 14.201 3.397 6.290 1.00 0.00 N ATOM 0 H LYS A 36 7.370 2.869 3.929 1.00 0.00 H new ATOM 0 HA LYS A 36 9.687 1.478 5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.948 3.819 4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.645 4.326 5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.688 4.886 6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.009 3.519 7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.580 1.997 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.990 3.061 5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.734 4.676 7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.911 3.140 7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.915 3.124 6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.107 2.642 5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.496 4.277 5.821 1.00 0.00 H new ATOM 610 N GLU A 37 8.940 1.526 7.553 1.00 0.00 N ATOM 611 CA GLU A 37 8.383 1.208 8.862 1.00 0.00 C ATOM 612 C GLU A 37 7.149 2.059 9.150 1.00 0.00 C ATOM 613 O GLU A 37 6.020 1.566 9.122 1.00 0.00 O ATOM 614 CB GLU A 37 9.432 1.427 9.955 1.00 0.00 C ATOM 615 CG GLU A 37 10.666 0.555 9.797 1.00 0.00 C ATOM 616 CD GLU A 37 10.482 -0.829 10.389 1.00 0.00 C ATOM 617 OE1 GLU A 37 9.575 -1.555 9.931 1.00 0.00 O ATOM 618 OE2 GLU A 37 11.247 -1.186 11.309 1.00 0.00 O ATOM 0 H GLU A 37 9.955 1.445 7.495 1.00 0.00 H new ATOM 0 HA GLU A 37 8.087 0.159 8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.735 2.474 9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.979 1.229 10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.909 0.464 8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.514 1.042 10.278 1.00 0.00 H new ATOM 625 N THR A 38 7.371 3.340 9.426 1.00 0.00 N ATOM 626 CA THR A 38 6.279 4.259 9.720 1.00 0.00 C ATOM 627 C THR A 38 6.189 5.359 8.669 1.00 0.00 C ATOM 628 O THR A 38 5.637 6.431 8.922 1.00 0.00 O ATOM 629 CB THR A 38 6.447 4.904 11.109 1.00 0.00 C ATOM 630 OG1 THR A 38 7.825 5.212 11.343 1.00 0.00 O ATOM 631 CG2 THR A 38 5.936 3.977 12.201 1.00 0.00 C ATOM 0 H THR A 38 8.298 3.765 9.452 1.00 0.00 H new ATOM 0 HA THR A 38 5.360 3.673 9.708 1.00 0.00 H new ATOM 0 HB THR A 38 5.862 5.823 11.132 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.923 5.623 12.227 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.065 4.454 13.173 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.879 3.769 12.036 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.498 3.043 12.178 1.00 0.00 H new ATOM 639 N THR A 39 6.733 5.088 7.487 1.00 0.00 N ATOM 640 CA THR A 39 6.714 6.056 6.397 1.00 0.00 C ATOM 641 C THR A 39 6.462 5.371 5.058 1.00 0.00 C ATOM 642 O THR A 39 6.502 4.144 4.960 1.00 0.00 O ATOM 643 CB THR A 39 8.037 6.840 6.319 1.00 0.00 C ATOM 644 OG1 THR A 39 8.587 7.006 7.630 1.00 0.00 O ATOM 645 CG2 THR A 39 7.821 8.203 5.678 1.00 0.00 C ATOM 0 H THR A 39 7.192 4.206 7.260 1.00 0.00 H new ATOM 0 HA THR A 39 5.901 6.751 6.605 1.00 0.00 H new ATOM 0 HB THR A 39 8.734 6.272 5.703 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.429 7.504 7.571 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.769 8.739 5.634 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.430 8.073 4.669 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.108 8.775 6.272 1.00 0.00 H new ATOM 653 N LEU A 40 6.204 6.170 4.030 1.00 0.00 N ATOM 654 CA LEU A 40 5.946 5.641 2.695 1.00 0.00 C ATOM 655 C LEU A 40 6.178 6.709 1.631 1.00 0.00 C ATOM 656 O LEU A 40 5.735 7.849 1.775 1.00 0.00 O ATOM 657 CB LEU A 40 4.513 5.114 2.601 1.00 0.00 C ATOM 658 CG LEU A 40 4.264 4.028 1.554 1.00 0.00 C ATOM 659 CD1 LEU A 40 3.071 3.172 1.946 1.00 0.00 C ATOM 660 CD2 LEU A 40 4.049 4.650 0.182 1.00 0.00 C ATOM 0 H LEU A 40 6.168 7.187 4.094 1.00 0.00 H new ATOM 0 HA LEU A 40 6.641 4.820 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.227 4.722 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.852 5.954 2.388 1.00 0.00 H new ATOM 0 HG LEU A 40 5.144 3.387 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.909 2.405 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.264 2.697 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.183 3.799 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.873 3.863 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.186 5.314 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.934 5.219 -0.102 1.00 0.00 H new ATOM 672 N SER A 41 6.873 6.332 0.563 1.00 0.00 N ATOM 673 CA SER A 41 7.165 7.259 -0.525 1.00 0.00 C ATOM 674 C SER A 41 7.253 6.521 -1.858 1.00 0.00 C ATOM 675 O SER A 41 7.663 5.361 -1.912 1.00 0.00 O ATOM 676 CB SER A 41 8.474 8.002 -0.253 1.00 0.00 C ATOM 677 OG SER A 41 8.405 8.727 0.963 1.00 0.00 O ATOM 0 H SER A 41 7.244 5.392 0.427 1.00 0.00 H new ATOM 0 HA SER A 41 6.351 7.982 -0.582 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.298 7.290 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.686 8.685 -1.076 1.00 0.00 H new ATOM 0 HG SER A 41 9.254 9.192 1.115 1.00 0.00 H new ATOM 683 N TYR A 42 6.867 7.202 -2.931 1.00 0.00 N ATOM 684 CA TYR A 42 6.899 6.612 -4.263 1.00 0.00 C ATOM 685 C TYR A 42 7.553 7.561 -5.263 1.00 0.00 C ATOM 686 O TYR A 42 7.729 8.748 -4.987 1.00 0.00 O ATOM 687 CB TYR A 42 5.483 6.264 -4.725 1.00 0.00 C ATOM 688 CG TYR A 42 4.615 7.475 -4.981 1.00 0.00 C ATOM 689 CD1 TYR A 42 4.196 8.288 -3.935 1.00 0.00 C ATOM 690 CD2 TYR A 42 4.214 7.806 -6.270 1.00 0.00 C ATOM 691 CE1 TYR A 42 3.402 9.395 -4.165 1.00 0.00 C ATOM 692 CE2 TYR A 42 3.421 8.912 -6.509 1.00 0.00 C ATOM 693 CZ TYR A 42 3.018 9.703 -5.453 1.00 0.00 C ATOM 694 OH TYR A 42 2.228 10.805 -5.686 1.00 0.00 O ATOM 0 H TYR A 42 6.528 8.164 -2.904 1.00 0.00 H new ATOM 0 HA TYR A 42 7.492 5.699 -4.214 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.543 5.671 -5.638 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.007 5.639 -3.970 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.496 8.051 -2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.527 7.188 -7.099 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.084 10.016 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.118 9.156 -7.517 1.00 0.00 H new ATOM 0 HH TYR A 42 2.048 10.882 -6.646 1.00 0.00 H new ATOM 704 N TYR A 43 7.911 7.028 -6.426 1.00 0.00 N ATOM 705 CA TYR A 43 8.547 7.826 -7.468 1.00 0.00 C ATOM 706 C TYR A 43 8.058 7.406 -8.851 1.00 0.00 C ATOM 707 O TYR A 43 7.387 6.385 -9.002 1.00 0.00 O ATOM 708 CB TYR A 43 10.069 7.686 -7.390 1.00 0.00 C ATOM 709 CG TYR A 43 10.600 7.639 -5.975 1.00 0.00 C ATOM 710 CD1 TYR A 43 10.446 6.502 -5.191 1.00 0.00 C ATOM 711 CD2 TYR A 43 11.255 8.732 -5.421 1.00 0.00 C ATOM 712 CE1 TYR A 43 10.929 6.454 -3.898 1.00 0.00 C ATOM 713 CE2 TYR A 43 11.743 8.693 -4.129 1.00 0.00 C ATOM 714 CZ TYR A 43 11.577 7.552 -3.372 1.00 0.00 C ATOM 715 OH TYR A 43 12.060 7.510 -2.084 1.00 0.00 O ATOM 0 H TYR A 43 7.772 6.048 -6.671 1.00 0.00 H new ATOM 0 HA TYR A 43 8.275 8.869 -7.307 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.369 6.778 -7.912 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.530 8.523 -7.915 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.939 5.640 -5.600 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.385 9.628 -6.011 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.800 5.562 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.251 9.551 -3.714 1.00 0.00 H new ATOM 0 HH TYR A 43 12.490 8.364 -1.868 1.00 0.00 H new ATOM 725 N LYS A 44 8.399 8.202 -9.859 1.00 0.00 N ATOM 726 CA LYS A 44 7.998 7.915 -11.231 1.00 0.00 C ATOM 727 C LYS A 44 8.894 6.846 -11.848 1.00 0.00 C ATOM 728 O LYS A 44 8.429 5.992 -12.602 1.00 0.00 O ATOM 729 CB LYS A 44 8.049 9.189 -12.076 1.00 0.00 C ATOM 730 CG LYS A 44 9.418 9.848 -12.100 1.00 0.00 C ATOM 731 CD LYS A 44 9.308 11.354 -12.271 1.00 0.00 C ATOM 732 CE LYS A 44 9.277 11.748 -13.740 1.00 0.00 C ATOM 733 NZ LYS A 44 9.863 13.098 -13.966 1.00 0.00 N ATOM 0 H LYS A 44 8.953 9.052 -9.751 1.00 0.00 H new ATOM 0 HA LYS A 44 6.975 7.539 -11.213 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.752 8.950 -13.097 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.319 9.901 -11.690 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.947 9.624 -11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.010 9.430 -12.915 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.404 11.712 -11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.152 11.839 -11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.827 11.011 -14.325 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.247 11.735 -14.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.823 13.329 -14.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.323 13.805 -13.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.853 13.104 -13.649 1.00 0.00 H new ATOM 747 N SER A 45 10.182 6.899 -11.521 1.00 0.00 N ATOM 748 CA SER A 45 11.144 5.937 -12.046 1.00 0.00 C ATOM 749 C SER A 45 12.081 5.451 -10.944 1.00 0.00 C ATOM 750 O SER A 45 12.538 6.235 -10.113 1.00 0.00 O ATOM 751 CB SER A 45 11.955 6.563 -13.182 1.00 0.00 C ATOM 752 OG SER A 45 11.184 6.655 -14.368 1.00 0.00 O ATOM 0 H SER A 45 10.583 7.598 -10.895 1.00 0.00 H new ATOM 0 HA SER A 45 10.591 5.081 -12.433 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.294 7.556 -12.887 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.846 5.964 -13.369 1.00 0.00 H new ATOM 0 HG SER A 45 11.724 7.060 -15.079 1.00 0.00 H new ATOM 758 N GLN A 46 12.362 4.152 -10.946 1.00 0.00 N ATOM 759 CA GLN A 46 13.244 3.561 -9.947 1.00 0.00 C ATOM 760 C GLN A 46 14.614 4.231 -9.965 1.00 0.00 C ATOM 761 O GLN A 46 15.180 4.537 -8.916 1.00 0.00 O ATOM 762 CB GLN A 46 13.395 2.059 -10.194 1.00 0.00 C ATOM 763 CG GLN A 46 13.842 1.282 -8.966 1.00 0.00 C ATOM 764 CD GLN A 46 14.178 -0.163 -9.280 1.00 0.00 C ATOM 765 OE1 GLN A 46 15.129 -0.447 -10.008 1.00 0.00 O ATOM 766 NE2 GLN A 46 13.397 -1.085 -8.730 1.00 0.00 N ATOM 0 H GLN A 46 11.992 3.489 -11.628 1.00 0.00 H new ATOM 0 HA GLN A 46 12.796 3.718 -8.966 1.00 0.00 H new ATOM 0 HB2 GLN A 46 12.442 1.659 -10.540 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.117 1.902 -10.996 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.716 1.768 -8.531 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.053 1.313 -8.214 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.619 -0.804 -8.133 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.575 -2.074 -8.905 1.00 0.00 H new ATOM 775 N ASP A 47 15.141 4.455 -11.164 1.00 0.00 N ATOM 776 CA ASP A 47 16.445 5.090 -11.319 1.00 0.00 C ATOM 777 C ASP A 47 16.524 6.377 -10.503 1.00 0.00 C ATOM 778 O ASP A 47 17.442 6.561 -9.705 1.00 0.00 O ATOM 779 CB ASP A 47 16.718 5.389 -12.793 1.00 0.00 C ATOM 780 CG ASP A 47 18.077 6.024 -13.013 1.00 0.00 C ATOM 781 OD1 ASP A 47 19.001 5.737 -12.223 1.00 0.00 O ATOM 782 OD2 ASP A 47 18.218 6.808 -13.975 1.00 0.00 O ATOM 0 H ASP A 47 14.686 4.206 -12.042 1.00 0.00 H new ATOM 0 HA ASP A 47 17.204 4.400 -10.949 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.655 4.464 -13.366 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.943 6.054 -13.175 1.00 0.00 H new ATOM 787 N GLU A 48 15.555 7.263 -10.711 1.00 0.00 N ATOM 788 CA GLU A 48 15.516 8.533 -9.995 1.00 0.00 C ATOM 789 C GLU A 48 15.678 8.317 -8.493 1.00 0.00 C ATOM 790 O GLU A 48 16.650 8.773 -7.891 1.00 0.00 O ATOM 791 CB GLU A 48 14.202 9.264 -10.278 1.00 0.00 C ATOM 792 CG GLU A 48 14.186 9.997 -11.608 1.00 0.00 C ATOM 793 CD GLU A 48 13.302 11.229 -11.586 1.00 0.00 C ATOM 794 OE1 GLU A 48 13.441 12.042 -10.649 1.00 0.00 O ATOM 795 OE2 GLU A 48 12.471 11.378 -12.506 1.00 0.00 O ATOM 0 H GLU A 48 14.787 7.125 -11.369 1.00 0.00 H new ATOM 0 HA GLU A 48 16.346 9.145 -10.348 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.384 8.543 -10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.014 9.979 -9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.203 10.289 -11.870 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.838 9.319 -12.388 1.00 0.00 H new ATOM 802 N ALA A 49 14.719 7.618 -7.895 1.00 0.00 N ATOM 803 CA ALA A 49 14.755 7.340 -6.465 1.00 0.00 C ATOM 804 C ALA A 49 16.122 6.812 -6.043 1.00 0.00 C ATOM 805 O ALA A 49 16.850 6.206 -6.830 1.00 0.00 O ATOM 806 CB ALA A 49 13.665 6.346 -6.093 1.00 0.00 C ATOM 0 H ALA A 49 13.907 7.234 -8.379 1.00 0.00 H new ATOM 0 HA ALA A 49 14.576 8.275 -5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.704 6.148 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.691 6.761 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.819 5.416 -6.640 1.00 0.00 H new ATOM 812 N PRO A 50 16.481 7.045 -4.772 1.00 0.00 N ATOM 813 CA PRO A 50 15.622 7.765 -3.826 1.00 0.00 C ATOM 814 C PRO A 50 15.500 9.246 -4.167 1.00 0.00 C ATOM 815 O PRO A 50 14.404 9.806 -4.159 1.00 0.00 O ATOM 816 CB PRO A 50 16.339 7.581 -2.486 1.00 0.00 C ATOM 817 CG PRO A 50 17.767 7.358 -2.847 1.00 0.00 C ATOM 818 CD PRO A 50 17.752 6.624 -4.160 1.00 0.00 C ATOM 0 HA PRO A 50 14.600 7.387 -3.833 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.224 8.460 -1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.934 6.734 -1.933 1.00 0.00 H new ATOM 0 HG2 PRO A 50 18.300 8.305 -2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 50 18.277 6.775 -2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 50 18.606 6.894 -4.781 1.00 0.00 H new ATOM 0 HD3 PRO A 50 17.791 5.544 -4.017 1.00 0.00 H new ATOM 826 N GLY A 51 16.632 9.876 -4.466 1.00 0.00 N ATOM 827 CA GLY A 51 16.629 11.287 -4.805 1.00 0.00 C ATOM 828 C GLY A 51 15.583 12.066 -4.033 1.00 0.00 C ATOM 829 O GLY A 51 15.793 12.421 -2.874 1.00 0.00 O ATOM 0 H GLY A 51 17.551 9.434 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 51 17.614 11.708 -4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.447 11.400 -5.874 1.00 0.00 H new ATOM 833 N ASP A 52 14.453 12.334 -4.678 1.00 0.00 N ATOM 834 CA ASP A 52 13.369 13.078 -4.046 1.00 0.00 C ATOM 835 C ASP A 52 12.031 12.378 -4.262 1.00 0.00 C ATOM 836 O ASP A 52 11.609 12.128 -5.391 1.00 0.00 O ATOM 837 CB ASP A 52 13.309 14.503 -4.598 1.00 0.00 C ATOM 838 CG ASP A 52 11.992 15.188 -4.290 1.00 0.00 C ATOM 839 OD1 ASP A 52 10.944 14.699 -4.762 1.00 0.00 O ATOM 840 OD2 ASP A 52 12.010 16.213 -3.577 1.00 0.00 O ATOM 0 H ASP A 52 14.264 12.047 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 52 13.567 13.121 -2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.127 15.088 -4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.459 14.478 -5.677 1.00 0.00 H new ATOM 845 N PRO A 53 11.347 12.052 -3.155 1.00 0.00 N ATOM 846 CA PRO A 53 10.047 11.376 -3.198 1.00 0.00 C ATOM 847 C PRO A 53 8.942 12.279 -3.733 1.00 0.00 C ATOM 848 O PRO A 53 8.631 13.314 -3.141 1.00 0.00 O ATOM 849 CB PRO A 53 9.784 11.020 -1.732 1.00 0.00 C ATOM 850 CG PRO A 53 10.568 12.019 -0.953 1.00 0.00 C ATOM 851 CD PRO A 53 11.791 12.319 -1.776 1.00 0.00 C ATOM 0 HA PRO A 53 10.057 10.514 -3.865 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.722 11.078 -1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.105 10.003 -1.508 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.984 12.923 -0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.843 11.623 0.025 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.116 13.352 -1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.631 11.684 -1.494 1.00 0.00 H new ATOM 859 N ILE A 54 8.351 11.882 -4.855 1.00 0.00 N ATOM 860 CA ILE A 54 7.278 12.655 -5.468 1.00 0.00 C ATOM 861 C ILE A 54 6.412 13.330 -4.410 1.00 0.00 C ATOM 862 O ILE A 54 6.111 14.519 -4.506 1.00 0.00 O ATOM 863 CB ILE A 54 6.385 11.772 -6.359 1.00 0.00 C ATOM 864 CG1 ILE A 54 7.155 11.321 -7.602 1.00 0.00 C ATOM 865 CG2 ILE A 54 5.123 12.523 -6.755 1.00 0.00 C ATOM 866 CD1 ILE A 54 6.427 10.275 -8.418 1.00 0.00 C ATOM 0 H ILE A 54 8.597 11.029 -5.358 1.00 0.00 H new ATOM 0 HA ILE A 54 7.753 13.417 -6.086 1.00 0.00 H new ATOM 0 HB ILE A 54 6.095 10.887 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.353 12.189 -8.232 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.122 10.923 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.503 11.885 -7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.567 12.799 -5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.393 13.424 -7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.032 10.003 -9.283 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.253 9.391 -7.804 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.471 10.677 -8.755 1.00 0.00 H new ATOM 878 N GLN A 55 6.016 12.562 -3.400 1.00 0.00 N ATOM 879 CA GLN A 55 5.185 13.086 -2.322 1.00 0.00 C ATOM 880 C GLN A 55 5.238 12.173 -1.101 1.00 0.00 C ATOM 881 O GLN A 55 4.667 11.083 -1.106 1.00 0.00 O ATOM 882 CB GLN A 55 3.739 13.242 -2.795 1.00 0.00 C ATOM 883 CG GLN A 55 2.979 14.345 -2.076 1.00 0.00 C ATOM 884 CD GLN A 55 3.785 15.623 -1.952 1.00 0.00 C ATOM 885 OE1 GLN A 55 4.384 16.089 -2.922 1.00 0.00 O ATOM 886 NE2 GLN A 55 3.804 16.198 -0.755 1.00 0.00 N ATOM 0 H GLN A 55 6.257 11.575 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 55 5.575 14.064 -2.039 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.736 13.448 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.215 12.297 -2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.054 14.554 -2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.698 13.999 -1.081 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.293 15.777 0.021 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.329 17.060 -0.612 1.00 0.00 H new ATOM 895 N GLN A 56 5.926 12.627 -0.059 1.00 0.00 N ATOM 896 CA GLN A 56 6.054 11.850 1.168 1.00 0.00 C ATOM 897 C GLN A 56 4.877 12.111 2.103 1.00 0.00 C ATOM 898 O GLN A 56 4.404 13.242 2.222 1.00 0.00 O ATOM 899 CB GLN A 56 7.367 12.188 1.877 1.00 0.00 C ATOM 900 CG GLN A 56 7.470 13.642 2.306 1.00 0.00 C ATOM 901 CD GLN A 56 8.708 13.919 3.137 1.00 0.00 C ATOM 902 OE1 GLN A 56 8.785 13.535 4.304 1.00 0.00 O ATOM 903 NE2 GLN A 56 9.685 14.589 2.537 1.00 0.00 N ATOM 0 H GLN A 56 6.403 13.528 -0.040 1.00 0.00 H new ATOM 0 HA GLN A 56 6.055 10.793 0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.471 11.551 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.199 11.954 1.213 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.481 14.278 1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.584 13.911 2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.578 14.888 1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.543 14.805 3.045 1.00 0.00 H new ATOM 912 N LEU A 57 4.407 11.058 2.763 1.00 0.00 N ATOM 913 CA LEU A 57 3.285 11.173 3.687 1.00 0.00 C ATOM 914 C LEU A 57 3.476 10.259 4.893 1.00 0.00 C ATOM 915 O LEU A 57 3.799 9.081 4.746 1.00 0.00 O ATOM 916 CB LEU A 57 1.975 10.830 2.975 1.00 0.00 C ATOM 917 CG LEU A 57 1.710 11.571 1.664 1.00 0.00 C ATOM 918 CD1 LEU A 57 0.651 10.847 0.847 1.00 0.00 C ATOM 919 CD2 LEU A 57 1.284 13.006 1.940 1.00 0.00 C ATOM 0 H LEU A 57 4.786 10.115 2.675 1.00 0.00 H new ATOM 0 HA LEU A 57 3.241 12.204 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.964 9.759 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.150 11.033 3.657 1.00 0.00 H new ATOM 0 HG LEU A 57 2.634 11.592 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.475 11.389 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.994 9.838 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.276 10.795 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.100 13.519 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.372 13.006 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.075 13.522 2.485 1.00 0.00 H new ATOM 931 N ASN A 58 3.272 10.810 6.085 1.00 0.00 N ATOM 932 CA ASN A 58 3.421 10.043 7.317 1.00 0.00 C ATOM 933 C ASN A 58 2.180 9.197 7.584 1.00 0.00 C ATOM 934 O ASN A 58 1.216 9.663 8.193 1.00 0.00 O ATOM 935 CB ASN A 58 3.676 10.981 8.498 1.00 0.00 C ATOM 936 CG ASN A 58 4.504 10.327 9.588 1.00 0.00 C ATOM 937 OD1 ASN A 58 5.629 9.887 9.349 1.00 0.00 O ATOM 938 ND2 ASN A 58 3.948 10.259 10.792 1.00 0.00 N ATOM 0 H ASN A 58 3.003 11.784 6.224 1.00 0.00 H new ATOM 0 HA ASN A 58 4.275 9.376 7.200 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.188 11.876 8.144 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.722 11.304 8.915 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.456 9.829 11.565 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.013 10.637 10.944 1.00 0.00 H new ATOM 945 N LEU A 59 2.211 7.951 7.125 1.00 0.00 N ATOM 946 CA LEU A 59 1.089 7.038 7.315 1.00 0.00 C ATOM 947 C LEU A 59 0.531 7.147 8.730 1.00 0.00 C ATOM 948 O LEU A 59 -0.664 6.954 8.955 1.00 0.00 O ATOM 949 CB LEU A 59 1.524 5.598 7.035 1.00 0.00 C ATOM 950 CG LEU A 59 1.470 5.152 5.574 1.00 0.00 C ATOM 951 CD1 LEU A 59 2.112 3.783 5.410 1.00 0.00 C ATOM 952 CD2 LEU A 59 0.032 5.132 5.076 1.00 0.00 C ATOM 0 H LEU A 59 3.000 7.550 6.619 1.00 0.00 H new ATOM 0 HA LEU A 59 0.303 7.317 6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.545 5.472 7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.894 4.929 7.622 1.00 0.00 H new ATOM 0 HG LEU A 59 2.032 5.868 4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.064 3.482 4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.154 3.829 5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.579 3.055 6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.012 4.812 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.553 4.438 5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.395 6.132 5.157 1.00 0.00 H new ATOM 964 N LYS A 60 1.403 7.460 9.682 1.00 0.00 N ATOM 965 CA LYS A 60 0.999 7.600 11.076 1.00 0.00 C ATOM 966 C LYS A 60 0.079 8.803 11.258 1.00 0.00 C ATOM 967 O LYS A 60 0.541 9.937 11.376 1.00 0.00 O ATOM 968 CB LYS A 60 2.230 7.745 11.973 1.00 0.00 C ATOM 969 CG LYS A 60 2.045 7.154 13.360 1.00 0.00 C ATOM 970 CD LYS A 60 1.307 8.112 14.280 1.00 0.00 C ATOM 971 CE LYS A 60 1.555 7.781 15.744 1.00 0.00 C ATOM 972 NZ LYS A 60 2.739 8.506 16.283 1.00 0.00 N ATOM 0 H LYS A 60 2.396 7.622 9.513 1.00 0.00 H new ATOM 0 HA LYS A 60 0.453 6.701 11.362 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.079 7.261 11.491 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.478 8.802 12.068 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.491 6.218 13.287 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.019 6.915 13.788 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.629 9.133 14.077 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.238 8.067 14.072 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.673 8.040 16.330 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.706 6.707 15.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.875 8.254 17.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.586 8.240 15.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.585 9.531 16.202 1.00 0.00 H new ATOM 986 N GLY A 61 -1.225 8.546 11.281 1.00 0.00 N ATOM 987 CA GLY A 61 -2.189 9.618 11.451 1.00 0.00 C ATOM 988 C GLY A 61 -3.222 9.650 10.342 1.00 0.00 C ATOM 989 O GLY A 61 -4.295 10.234 10.501 1.00 0.00 O ATOM 0 H GLY A 61 -1.631 7.615 11.185 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.694 9.500 12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.664 10.573 11.482 1.00 0.00 H new ATOM 993 N CYS A 62 -2.900 9.022 9.217 1.00 0.00 N ATOM 994 CA CYS A 62 -3.808 8.983 8.076 1.00 0.00 C ATOM 995 C CYS A 62 -4.946 7.998 8.321 1.00 0.00 C ATOM 996 O CYS A 62 -5.059 7.422 9.403 1.00 0.00 O ATOM 997 CB CYS A 62 -3.048 8.597 6.806 1.00 0.00 C ATOM 998 SG CYS A 62 -2.640 6.839 6.696 1.00 0.00 S ATOM 0 H CYS A 62 -2.017 8.533 9.070 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.234 9.978 7.948 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.647 8.875 5.939 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.126 9.177 6.757 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.705 6.556 7.554 1.00 0.00 H new ATOM 1004 N GLU A 63 -5.789 7.812 7.310 1.00 0.00 N ATOM 1005 CA GLU A 63 -6.920 6.899 7.418 1.00 0.00 C ATOM 1006 C GLU A 63 -6.717 5.673 6.531 1.00 0.00 C ATOM 1007 O GLU A 63 -5.959 5.713 5.562 1.00 0.00 O ATOM 1008 CB GLU A 63 -8.218 7.611 7.031 1.00 0.00 C ATOM 1009 CG GLU A 63 -9.448 7.057 7.729 1.00 0.00 C ATOM 1010 CD GLU A 63 -9.624 7.610 9.130 1.00 0.00 C ATOM 1011 OE1 GLU A 63 -8.625 8.089 9.707 1.00 0.00 O ATOM 1012 OE2 GLU A 63 -10.758 7.563 9.649 1.00 0.00 O ATOM 0 H GLU A 63 -5.710 8.281 6.408 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.989 6.569 8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.124 8.671 7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.357 7.534 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.333 7.290 7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.375 5.971 7.778 1.00 0.00 H new ATOM 1019 N VAL A 64 -7.399 4.584 6.871 1.00 0.00 N ATOM 1020 CA VAL A 64 -7.295 3.347 6.107 1.00 0.00 C ATOM 1021 C VAL A 64 -8.667 2.721 5.884 1.00 0.00 C ATOM 1022 O VAL A 64 -9.440 2.542 6.825 1.00 0.00 O ATOM 1023 CB VAL A 64 -6.386 2.325 6.816 1.00 0.00 C ATOM 1024 CG1 VAL A 64 -6.449 0.977 6.113 1.00 0.00 C ATOM 1025 CG2 VAL A 64 -4.955 2.837 6.876 1.00 0.00 C ATOM 0 H VAL A 64 -8.030 4.534 7.671 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.857 3.606 5.143 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.744 2.193 7.837 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.801 0.268 6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.474 0.607 6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.117 1.089 5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.327 2.103 7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.584 2.999 5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.928 3.777 7.427 1.00 0.00 H new ATOM 1035 N VAL A 65 -8.963 2.390 4.631 1.00 0.00 N ATOM 1036 CA VAL A 65 -10.242 1.782 4.283 1.00 0.00 C ATOM 1037 C VAL A 65 -10.050 0.596 3.344 1.00 0.00 C ATOM 1038 O VAL A 65 -9.869 0.752 2.136 1.00 0.00 O ATOM 1039 CB VAL A 65 -11.186 2.802 3.618 1.00 0.00 C ATOM 1040 CG1 VAL A 65 -12.575 2.208 3.442 1.00 0.00 C ATOM 1041 CG2 VAL A 65 -11.245 4.084 4.435 1.00 0.00 C ATOM 0 H VAL A 65 -8.335 2.533 3.840 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.691 1.435 5.214 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.793 3.045 2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.228 2.943 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.514 1.320 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.980 1.935 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.916 4.793 3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.614 3.861 5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.247 4.518 4.504 1.00 0.00 H new ATOM 1051 N PRO A 66 -10.090 -0.619 3.910 1.00 0.00 N ATOM 1052 CA PRO A 66 -9.923 -1.856 3.141 1.00 0.00 C ATOM 1053 C PRO A 66 -11.111 -2.135 2.227 1.00 0.00 C ATOM 1054 O PRO A 66 -12.259 -2.147 2.671 1.00 0.00 O ATOM 1055 CB PRO A 66 -9.816 -2.934 4.223 1.00 0.00 C ATOM 1056 CG PRO A 66 -10.533 -2.364 5.398 1.00 0.00 C ATOM 1057 CD PRO A 66 -10.302 -0.879 5.344 1.00 0.00 C ATOM 0 HA PRO A 66 -9.059 -1.811 2.478 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.271 -3.869 3.897 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.775 -3.153 4.462 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.597 -2.595 5.355 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.153 -2.784 6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.157 -0.325 5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.437 -0.585 5.938 1.00 0.00 H new ATOM 1065 N ASP A 67 -10.828 -2.359 0.948 1.00 0.00 N ATOM 1066 CA ASP A 67 -11.873 -2.639 -0.029 1.00 0.00 C ATOM 1067 C ASP A 67 -11.651 -3.997 -0.688 1.00 0.00 C ATOM 1068 O ASP A 67 -11.163 -4.080 -1.815 1.00 0.00 O ATOM 1069 CB ASP A 67 -11.914 -1.542 -1.093 1.00 0.00 C ATOM 1070 CG ASP A 67 -12.613 -0.288 -0.606 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -13.761 -0.397 -0.128 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -12.011 0.801 -0.703 1.00 0.00 O ATOM 0 H ASP A 67 -9.883 -2.352 0.564 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.829 -2.661 0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.896 -1.293 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.425 -1.918 -1.979 1.00 0.00 H new ATOM 1077 N VAL A 68 -12.012 -5.061 0.023 1.00 0.00 N ATOM 1078 CA VAL A 68 -11.853 -6.415 -0.492 1.00 0.00 C ATOM 1079 C VAL A 68 -13.186 -6.984 -0.964 1.00 0.00 C ATOM 1080 O VAL A 68 -14.149 -7.052 -0.201 1.00 0.00 O ATOM 1081 CB VAL A 68 -11.254 -7.354 0.572 1.00 0.00 C ATOM 1082 CG1 VAL A 68 -10.891 -8.697 -0.043 1.00 0.00 C ATOM 1083 CG2 VAL A 68 -10.040 -6.712 1.226 1.00 0.00 C ATOM 0 H VAL A 68 -12.417 -5.011 0.958 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.168 -6.353 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.005 -7.526 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.469 -9.346 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.786 -9.160 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.157 -8.548 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.630 -7.389 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.284 -6.508 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.336 -5.778 1.704 1.00 0.00 H new ATOM 1093 N ASN A 69 -13.235 -7.394 -2.228 1.00 0.00 N ATOM 1094 CA ASN A 69 -14.451 -7.958 -2.802 1.00 0.00 C ATOM 1095 C ASN A 69 -14.211 -9.382 -3.292 1.00 0.00 C ATOM 1096 O ASN A 69 -14.133 -9.631 -4.496 1.00 0.00 O ATOM 1097 CB ASN A 69 -14.946 -7.085 -3.957 1.00 0.00 C ATOM 1098 CG ASN A 69 -16.453 -7.142 -4.120 1.00 0.00 C ATOM 1099 OD1 ASN A 69 -17.011 -8.180 -4.477 1.00 0.00 O ATOM 1100 ND2 ASN A 69 -17.118 -6.023 -3.858 1.00 0.00 N ATOM 0 H ASN A 69 -12.447 -7.346 -2.874 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.213 -7.985 -2.023 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -14.641 -6.053 -3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.471 -7.408 -4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.134 -6.000 -3.950 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -16.613 -5.186 -3.565 1.00 0.00 H new ATOM 1107 N VAL A 70 -14.094 -10.314 -2.352 1.00 0.00 N ATOM 1108 CA VAL A 70 -13.865 -11.715 -2.688 1.00 0.00 C ATOM 1109 C VAL A 70 -14.624 -12.109 -3.949 1.00 0.00 C ATOM 1110 O VAL A 70 -14.096 -12.813 -4.810 1.00 0.00 O ATOM 1111 CB VAL A 70 -14.288 -12.645 -1.535 1.00 0.00 C ATOM 1112 CG1 VAL A 70 -14.102 -14.102 -1.929 1.00 0.00 C ATOM 1113 CG2 VAL A 70 -13.502 -12.320 -0.273 1.00 0.00 C ATOM 0 H VAL A 70 -14.154 -10.125 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.795 -11.828 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.346 -12.482 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -14.406 -14.744 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.713 -14.323 -2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.053 -14.284 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.813 -12.986 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.437 -12.454 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -13.692 -11.287 0.018 1.00 0.00 H new ATOM 1123 N SER A 71 -15.868 -11.650 -4.053 1.00 0.00 N ATOM 1124 CA SER A 71 -16.702 -11.958 -5.208 1.00 0.00 C ATOM 1125 C SER A 71 -15.868 -12.001 -6.485 1.00 0.00 C ATOM 1126 O SER A 71 -15.983 -12.929 -7.284 1.00 0.00 O ATOM 1127 CB SER A 71 -17.817 -10.920 -5.349 1.00 0.00 C ATOM 1128 OG SER A 71 -18.422 -10.648 -4.097 1.00 0.00 O ATOM 0 H SER A 71 -16.320 -11.064 -3.351 1.00 0.00 H new ATOM 0 HA SER A 71 -17.147 -12.941 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.410 -9.999 -5.767 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.570 -11.283 -6.049 1.00 0.00 H new ATOM 0 HG SER A 71 -18.164 -9.751 -3.797 1.00 0.00 H new ATOM 1134 N GLY A 72 -15.027 -10.988 -6.669 1.00 0.00 N ATOM 1135 CA GLY A 72 -14.185 -10.928 -7.850 1.00 0.00 C ATOM 1136 C GLY A 72 -12.715 -10.790 -7.507 1.00 0.00 C ATOM 1137 O GLY A 72 -11.995 -10.015 -8.137 1.00 0.00 O ATOM 0 H GLY A 72 -14.914 -10.208 -6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.333 -11.830 -8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.491 -10.084 -8.469 1.00 0.00 H new ATOM 1141 N GLN A 73 -12.269 -11.541 -6.506 1.00 0.00 N ATOM 1142 CA GLN A 73 -10.875 -11.496 -6.080 1.00 0.00 C ATOM 1143 C GLN A 73 -10.321 -10.079 -6.178 1.00 0.00 C ATOM 1144 O GLN A 73 -9.237 -9.860 -6.718 1.00 0.00 O ATOM 1145 CB GLN A 73 -10.029 -12.447 -6.929 1.00 0.00 C ATOM 1146 CG GLN A 73 -10.536 -13.880 -6.925 1.00 0.00 C ATOM 1147 CD GLN A 73 -10.923 -14.358 -5.539 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -12.051 -14.799 -5.315 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -9.988 -14.274 -4.601 1.00 0.00 N ATOM 0 H GLN A 73 -12.852 -12.188 -5.975 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.830 -11.813 -5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.006 -12.081 -7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.003 -12.432 -6.562 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.399 -13.958 -7.586 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.765 -14.536 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.067 -13.902 -4.831 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.191 -14.582 -3.650 1.00 0.00 H new ATOM 1158 N LYS A 74 -11.073 -9.118 -5.652 1.00 0.00 N ATOM 1159 CA LYS A 74 -10.658 -7.720 -5.679 1.00 0.00 C ATOM 1160 C LYS A 74 -10.007 -7.321 -4.358 1.00 0.00 C ATOM 1161 O LYS A 74 -10.647 -7.345 -3.307 1.00 0.00 O ATOM 1162 CB LYS A 74 -11.859 -6.815 -5.962 1.00 0.00 C ATOM 1163 CG LYS A 74 -11.476 -5.443 -6.488 1.00 0.00 C ATOM 1164 CD LYS A 74 -12.692 -4.675 -6.980 1.00 0.00 C ATOM 1165 CE LYS A 74 -13.491 -4.096 -5.823 1.00 0.00 C ATOM 1166 NZ LYS A 74 -14.193 -2.840 -6.207 1.00 0.00 N ATOM 0 H LYS A 74 -11.973 -9.282 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.925 -7.600 -6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.509 -7.304 -6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.437 -6.695 -5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.980 -4.876 -5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.759 -5.551 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.372 -3.870 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.328 -5.337 -7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.221 -4.830 -5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.824 -3.897 -4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.726 -2.477 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.495 -2.130 -6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.849 -3.034 -6.990 1.00 0.00 H new ATOM 1180 N PHE A 75 -8.732 -6.951 -4.420 1.00 0.00 N ATOM 1181 CA PHE A 75 -7.995 -6.545 -3.229 1.00 0.00 C ATOM 1182 C PHE A 75 -7.348 -5.178 -3.430 1.00 0.00 C ATOM 1183 O PHE A 75 -6.234 -5.077 -3.947 1.00 0.00 O ATOM 1184 CB PHE A 75 -6.925 -7.584 -2.888 1.00 0.00 C ATOM 1185 CG PHE A 75 -7.448 -8.991 -2.843 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -8.122 -9.458 -1.726 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -7.264 -9.847 -3.917 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -8.605 -10.753 -1.682 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -7.745 -11.142 -3.878 1.00 0.00 C ATOM 1190 CZ PHE A 75 -8.415 -11.596 -2.759 1.00 0.00 C ATOM 0 H PHE A 75 -8.188 -6.924 -5.282 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.700 -6.475 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.125 -7.526 -3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.485 -7.337 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.272 -8.803 -0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.739 -9.498 -4.794 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.130 -11.105 -0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.597 -11.799 -4.722 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.790 -12.608 -2.726 1.00 0.00 H new ATOM 1200 N CYS A 76 -8.052 -4.131 -3.017 1.00 0.00 N ATOM 1201 CA CYS A 76 -7.548 -2.769 -3.153 1.00 0.00 C ATOM 1202 C CYS A 76 -7.462 -2.083 -1.793 1.00 0.00 C ATOM 1203 O CYS A 76 -8.286 -2.328 -0.911 1.00 0.00 O ATOM 1204 CB CYS A 76 -8.447 -1.960 -4.089 1.00 0.00 C ATOM 1205 SG CYS A 76 -7.997 -2.086 -5.836 1.00 0.00 S ATOM 0 H CYS A 76 -8.974 -4.199 -2.585 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.546 -2.820 -3.579 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -9.477 -2.295 -3.965 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.414 -0.912 -3.791 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.816 -1.370 -6.548 1.00 0.00 H new ATOM 1211 N ILE A 77 -6.460 -1.226 -1.630 1.00 0.00 N ATOM 1212 CA ILE A 77 -6.267 -0.506 -0.377 1.00 0.00 C ATOM 1213 C ILE A 77 -6.456 0.994 -0.571 1.00 0.00 C ATOM 1214 O ILE A 77 -5.614 1.666 -1.167 1.00 0.00 O ATOM 1215 CB ILE A 77 -4.866 -0.764 0.210 1.00 0.00 C ATOM 1216 CG1 ILE A 77 -4.647 -2.263 0.422 1.00 0.00 C ATOM 1217 CG2 ILE A 77 -4.693 -0.007 1.518 1.00 0.00 C ATOM 1218 CD1 ILE A 77 -3.196 -2.638 0.630 1.00 0.00 C ATOM 0 H ILE A 77 -5.769 -1.013 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.018 -0.877 0.320 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.119 -0.403 -0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.225 -2.588 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.034 -2.804 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.699 -0.199 1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.812 1.062 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.445 -0.340 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.116 -3.715 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.615 -2.344 -0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.810 -2.125 1.511 1.00 0.00 H new ATOM 1230 N LYS A 78 -7.567 1.515 -0.061 1.00 0.00 N ATOM 1231 CA LYS A 78 -7.868 2.938 -0.174 1.00 0.00 C ATOM 1232 C LYS A 78 -7.139 3.735 0.903 1.00 0.00 C ATOM 1233 O LYS A 78 -7.510 3.695 2.077 1.00 0.00 O ATOM 1234 CB LYS A 78 -9.376 3.171 -0.064 1.00 0.00 C ATOM 1235 CG LYS A 78 -9.806 4.569 -0.474 1.00 0.00 C ATOM 1236 CD LYS A 78 -11.279 4.806 -0.187 1.00 0.00 C ATOM 1237 CE LYS A 78 -11.655 6.269 -0.370 1.00 0.00 C ATOM 1238 NZ LYS A 78 -11.989 6.582 -1.787 1.00 0.00 N ATOM 0 H LYS A 78 -8.274 0.973 0.435 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.524 3.281 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.894 2.443 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.689 2.990 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.207 5.306 0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.614 4.713 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.884 4.188 -0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.506 4.496 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.508 6.507 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.828 6.900 -0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.595 7.511 -2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.583 5.853 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.022 6.601 -1.904 1.00 0.00 H new ATOM 1252 N LEU A 79 -6.103 4.459 0.497 1.00 0.00 N ATOM 1253 CA LEU A 79 -5.323 5.268 1.428 1.00 0.00 C ATOM 1254 C LEU A 79 -5.779 6.723 1.399 1.00 0.00 C ATOM 1255 O LEU A 79 -5.916 7.322 0.332 1.00 0.00 O ATOM 1256 CB LEU A 79 -3.834 5.182 1.085 1.00 0.00 C ATOM 1257 CG LEU A 79 -2.864 5.432 2.241 1.00 0.00 C ATOM 1258 CD1 LEU A 79 -2.970 4.323 3.276 1.00 0.00 C ATOM 1259 CD2 LEU A 79 -1.438 5.547 1.724 1.00 0.00 C ATOM 0 H LEU A 79 -5.783 4.503 -0.470 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.482 4.876 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.632 4.192 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.621 5.903 0.296 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.133 6.374 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.273 4.518 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.986 4.288 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.727 3.367 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.761 5.725 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.158 4.622 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.372 6.377 1.021 1.00 0.00 H new ATOM 1271 N LEU A 80 -6.012 7.287 2.579 1.00 0.00 N ATOM 1272 CA LEU A 80 -6.451 8.674 2.691 1.00 0.00 C ATOM 1273 C LEU A 80 -5.537 9.461 3.624 1.00 0.00 C ATOM 1274 O LEU A 80 -5.541 9.251 4.837 1.00 0.00 O ATOM 1275 CB LEU A 80 -7.893 8.734 3.200 1.00 0.00 C ATOM 1276 CG LEU A 80 -8.985 8.564 2.143 1.00 0.00 C ATOM 1277 CD1 LEU A 80 -8.822 9.593 1.036 1.00 0.00 C ATOM 1278 CD2 LEU A 80 -8.958 7.154 1.571 1.00 0.00 C ATOM 0 H LEU A 80 -5.904 6.805 3.472 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.403 9.125 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.023 7.959 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.042 9.693 3.697 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.952 8.724 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.608 9.456 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.892 10.596 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.849 9.466 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.742 7.051 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.988 6.967 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.125 6.433 2.372 1.00 0.00 H new ATOM 1290 N VAL A 81 -4.756 10.371 3.051 1.00 0.00 N ATOM 1291 CA VAL A 81 -3.839 11.193 3.832 1.00 0.00 C ATOM 1292 C VAL A 81 -4.157 12.675 3.672 1.00 0.00 C ATOM 1293 O VAL A 81 -4.149 13.222 2.569 1.00 0.00 O ATOM 1294 CB VAL A 81 -2.375 10.946 3.420 1.00 0.00 C ATOM 1295 CG1 VAL A 81 -1.425 11.629 4.392 1.00 0.00 C ATOM 1296 CG2 VAL A 81 -2.088 9.454 3.342 1.00 0.00 C ATOM 0 H VAL A 81 -4.740 10.558 2.048 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.969 10.907 4.876 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.217 11.376 2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.396 11.444 4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.616 12.702 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.582 11.231 5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.050 9.298 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.263 8.998 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.746 8.995 2.604 1.00 0.00 H new ATOM 1306 N PRO A 82 -4.444 13.343 4.799 1.00 0.00 N ATOM 1307 CA PRO A 82 -4.769 14.773 4.810 1.00 0.00 C ATOM 1308 C PRO A 82 -3.562 15.645 4.484 1.00 0.00 C ATOM 1309 O PRO A 82 -2.461 15.411 4.984 1.00 0.00 O ATOM 1310 CB PRO A 82 -5.234 15.019 6.248 1.00 0.00 C ATOM 1311 CG PRO A 82 -4.565 13.956 7.049 1.00 0.00 C ATOM 1312 CD PRO A 82 -4.471 12.756 6.149 1.00 0.00 C ATOM 0 HA PRO A 82 -5.514 15.027 4.056 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.948 16.013 6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.319 14.953 6.330 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.576 14.278 7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.138 13.726 7.947 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.573 12.172 6.351 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.322 12.088 6.280 1.00 0.00 H new ATOM 1320 N SER A 83 -3.774 16.651 3.642 1.00 0.00 N ATOM 1321 CA SER A 83 -2.702 17.557 3.247 1.00 0.00 C ATOM 1322 C SER A 83 -3.212 18.991 3.145 1.00 0.00 C ATOM 1323 O SER A 83 -4.345 19.247 2.738 1.00 0.00 O ATOM 1324 CB SER A 83 -2.105 17.120 1.907 1.00 0.00 C ATOM 1325 OG SER A 83 -1.049 16.195 2.097 1.00 0.00 O ATOM 0 H SER A 83 -4.679 16.859 3.220 1.00 0.00 H new ATOM 0 HA SER A 83 -1.927 17.519 4.013 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.881 16.669 1.289 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.736 17.992 1.368 1.00 0.00 H new ATOM 0 HG SER A 83 -0.686 15.930 1.226 1.00 0.00 H new ATOM 1331 N PRO A 84 -2.355 19.951 3.525 1.00 0.00 N ATOM 1332 CA PRO A 84 -2.695 21.376 3.487 1.00 0.00 C ATOM 1333 C PRO A 84 -2.810 21.906 2.061 1.00 0.00 C ATOM 1334 O PRO A 84 -3.338 22.995 1.835 1.00 0.00 O ATOM 1335 CB PRO A 84 -1.523 22.041 4.212 1.00 0.00 C ATOM 1336 CG PRO A 84 -0.385 21.095 4.037 1.00 0.00 C ATOM 1337 CD PRO A 84 -0.989 19.718 4.022 1.00 0.00 C ATOM 0 HA PRO A 84 -3.664 21.576 3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -1.296 23.018 3.785 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -1.748 22.199 5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 84 0.150 21.296 3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.335 21.196 4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.434 19.043 3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -0.994 19.270 5.016 1.00 0.00 H new ATOM 1345 N GLU A 85 -2.312 21.129 1.104 1.00 0.00 N ATOM 1346 CA GLU A 85 -2.359 21.523 -0.299 1.00 0.00 C ATOM 1347 C GLU A 85 -3.659 21.058 -0.951 1.00 0.00 C ATOM 1348 O GLU A 85 -4.108 21.632 -1.943 1.00 0.00 O ATOM 1349 CB GLU A 85 -1.161 20.943 -1.055 1.00 0.00 C ATOM 1350 CG GLU A 85 -0.882 21.637 -2.377 1.00 0.00 C ATOM 1351 CD GLU A 85 -1.791 21.155 -3.492 1.00 0.00 C ATOM 1352 OE1 GLU A 85 -1.709 19.961 -3.848 1.00 0.00 O ATOM 1353 OE2 GLU A 85 -2.583 21.971 -4.007 1.00 0.00 O ATOM 0 H GLU A 85 -1.872 20.225 1.274 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.317 22.611 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.275 21.013 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.337 19.884 -1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.006 22.713 -2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.157 21.467 -2.661 1.00 0.00 H new ATOM 1360 N GLY A 86 -4.257 20.014 -0.386 1.00 0.00 N ATOM 1361 CA GLY A 86 -5.498 19.490 -0.925 1.00 0.00 C ATOM 1362 C GLY A 86 -5.835 18.118 -0.375 1.00 0.00 C ATOM 1363 O GLY A 86 -6.214 17.984 0.788 1.00 0.00 O ATOM 0 H GLY A 86 -3.904 19.522 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.310 20.180 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.424 19.435 -2.011 1.00 0.00 H new ATOM 1367 N MET A 87 -5.699 17.096 -1.214 1.00 0.00 N ATOM 1368 CA MET A 87 -5.993 15.728 -0.805 1.00 0.00 C ATOM 1369 C MET A 87 -5.120 14.734 -1.564 1.00 0.00 C ATOM 1370 O MET A 87 -4.881 14.891 -2.762 1.00 0.00 O ATOM 1371 CB MET A 87 -7.471 15.408 -1.039 1.00 0.00 C ATOM 1372 CG MET A 87 -7.896 14.059 -0.484 1.00 0.00 C ATOM 1373 SD MET A 87 -7.478 13.861 1.259 1.00 0.00 S ATOM 1374 CE MET A 87 -6.783 12.210 1.255 1.00 0.00 C ATOM 0 H MET A 87 -5.387 17.190 -2.181 1.00 0.00 H new ATOM 0 HA MET A 87 -5.774 15.639 0.259 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.080 16.188 -0.582 1.00 0.00 H new ATOM 0 HB3 MET A 87 -7.674 15.432 -2.110 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.972 13.941 -0.611 1.00 0.00 H new ATOM 0 HG3 MET A 87 -7.418 13.267 -1.060 1.00 0.00 H new ATOM 0 HE1 MET A 87 -7.085 11.686 2.162 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.145 11.665 0.383 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.695 12.273 1.218 1.00 0.00 H new ATOM 1384 N SER A 88 -4.646 13.711 -0.860 1.00 0.00 N ATOM 1385 CA SER A 88 -3.795 12.694 -1.468 1.00 0.00 C ATOM 1386 C SER A 88 -4.474 11.328 -1.435 1.00 0.00 C ATOM 1387 O SER A 88 -4.234 10.525 -0.534 1.00 0.00 O ATOM 1388 CB SER A 88 -2.450 12.624 -0.743 1.00 0.00 C ATOM 1389 OG SER A 88 -1.427 12.165 -1.610 1.00 0.00 O ATOM 0 H SER A 88 -4.837 13.564 0.131 1.00 0.00 H new ATOM 0 HA SER A 88 -3.625 12.972 -2.508 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.189 13.610 -0.357 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.530 11.957 0.115 1.00 0.00 H new ATOM 0 HG SER A 88 -0.606 12.674 -1.445 1.00 0.00 H new ATOM 1395 N GLU A 89 -5.324 11.072 -2.426 1.00 0.00 N ATOM 1396 CA GLU A 89 -6.038 9.804 -2.510 1.00 0.00 C ATOM 1397 C GLU A 89 -5.358 8.861 -3.497 1.00 0.00 C ATOM 1398 O GLU A 89 -5.363 9.100 -4.705 1.00 0.00 O ATOM 1399 CB GLU A 89 -7.491 10.039 -2.931 1.00 0.00 C ATOM 1400 CG GLU A 89 -8.415 8.878 -2.603 1.00 0.00 C ATOM 1401 CD GLU A 89 -9.880 9.242 -2.740 1.00 0.00 C ATOM 1402 OE1 GLU A 89 -10.273 9.726 -3.822 1.00 0.00 O ATOM 1403 OE2 GLU A 89 -10.634 9.043 -1.764 1.00 0.00 O ATOM 0 H GLU A 89 -5.534 11.726 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.023 9.342 -1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.862 10.938 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.524 10.226 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.189 8.041 -3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.222 8.541 -1.584 1.00 0.00 H new ATOM 1410 N ILE A 90 -4.772 7.789 -2.974 1.00 0.00 N ATOM 1411 CA ILE A 90 -4.088 6.809 -3.808 1.00 0.00 C ATOM 1412 C ILE A 90 -4.853 5.491 -3.849 1.00 0.00 C ATOM 1413 O ILE A 90 -5.440 5.071 -2.851 1.00 0.00 O ATOM 1414 CB ILE A 90 -2.656 6.543 -3.306 1.00 0.00 C ATOM 1415 CG1 ILE A 90 -1.764 7.757 -3.576 1.00 0.00 C ATOM 1416 CG2 ILE A 90 -2.084 5.300 -3.970 1.00 0.00 C ATOM 1417 CD1 ILE A 90 -1.901 8.850 -2.540 1.00 0.00 C ATOM 0 H ILE A 90 -4.757 7.577 -1.976 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.040 7.230 -4.812 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.690 6.373 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.724 7.432 -3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.007 8.165 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.072 5.126 -3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.709 4.440 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.060 5.443 -5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.240 9.678 -2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.932 9.202 -2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.630 8.458 -1.560 1.00 0.00 H new ATOM 1429 N TYR A 91 -4.840 4.841 -5.007 1.00 0.00 N ATOM 1430 CA TYR A 91 -5.534 3.570 -5.178 1.00 0.00 C ATOM 1431 C TYR A 91 -4.553 2.458 -5.537 1.00 0.00 C ATOM 1432 O TYR A 91 -3.960 2.461 -6.617 1.00 0.00 O ATOM 1433 CB TYR A 91 -6.604 3.691 -6.264 1.00 0.00 C ATOM 1434 CG TYR A 91 -7.720 4.648 -5.911 1.00 0.00 C ATOM 1435 CD1 TYR A 91 -8.378 4.559 -4.691 1.00 0.00 C ATOM 1436 CD2 TYR A 91 -8.116 5.642 -6.798 1.00 0.00 C ATOM 1437 CE1 TYR A 91 -9.398 5.431 -4.364 1.00 0.00 C ATOM 1438 CE2 TYR A 91 -9.134 6.520 -6.479 1.00 0.00 C ATOM 1439 CZ TYR A 91 -9.772 6.410 -5.261 1.00 0.00 C ATOM 1440 OH TYR A 91 -10.788 7.281 -4.940 1.00 0.00 O ATOM 0 H TYR A 91 -4.357 5.173 -5.841 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.013 3.317 -4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.134 4.021 -7.190 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.029 2.706 -6.455 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.087 3.795 -3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.619 5.730 -7.753 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.900 5.347 -3.411 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.428 7.288 -7.179 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.563 8.179 -5.262 1.00 0.00 H new ATOM 1450 N LEU A 92 -4.386 1.508 -4.624 1.00 0.00 N ATOM 1451 CA LEU A 92 -3.478 0.387 -4.842 1.00 0.00 C ATOM 1452 C LEU A 92 -4.253 -0.909 -5.057 1.00 0.00 C ATOM 1453 O LEU A 92 -5.002 -1.347 -4.183 1.00 0.00 O ATOM 1454 CB LEU A 92 -2.528 0.236 -3.653 1.00 0.00 C ATOM 1455 CG LEU A 92 -2.033 1.537 -3.020 1.00 0.00 C ATOM 1456 CD1 LEU A 92 -1.542 1.288 -1.602 1.00 0.00 C ATOM 1457 CD2 LEU A 92 -0.931 2.158 -3.867 1.00 0.00 C ATOM 0 H LEU A 92 -4.868 1.491 -3.725 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.896 0.593 -5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.031 -0.350 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.661 -0.340 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.867 2.237 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.194 2.225 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.358 0.890 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.722 0.570 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.591 3.083 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.095 1.462 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.316 2.374 -4.864 1.00 0.00 H new ATOM 1469 N ARG A 93 -4.065 -1.519 -6.223 1.00 0.00 N ATOM 1470 CA ARG A 93 -4.746 -2.765 -6.551 1.00 0.00 C ATOM 1471 C ARG A 93 -3.757 -3.925 -6.611 1.00 0.00 C ATOM 1472 O ARG A 93 -2.890 -3.970 -7.484 1.00 0.00 O ATOM 1473 CB ARG A 93 -5.478 -2.635 -7.888 1.00 0.00 C ATOM 1474 CG ARG A 93 -6.350 -3.834 -8.225 1.00 0.00 C ATOM 1475 CD ARG A 93 -6.926 -3.727 -9.628 1.00 0.00 C ATOM 1476 NE ARG A 93 -7.908 -2.651 -9.736 1.00 0.00 N ATOM 1477 CZ ARG A 93 -9.128 -2.715 -9.216 1.00 0.00 C ATOM 1478 NH1 ARG A 93 -9.515 -3.797 -8.555 1.00 0.00 N ATOM 1479 NH2 ARG A 93 -9.965 -1.695 -9.357 1.00 0.00 N ATOM 0 H ARG A 93 -3.447 -1.170 -6.956 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.473 -2.970 -5.765 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.099 -1.739 -7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.744 -2.495 -8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.762 -4.748 -8.141 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.162 -3.909 -7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.118 -3.553 -10.339 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.393 -4.673 -9.901 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.642 -1.804 -10.238 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.875 -4.583 -8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.453 -3.843 -8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.671 -0.861 -9.865 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.902 -1.745 -8.957 1.00 0.00 H new ATOM 1493 N CYS A 94 -3.893 -4.861 -5.677 1.00 0.00 N ATOM 1494 CA CYS A 94 -3.010 -6.021 -5.623 1.00 0.00 C ATOM 1495 C CYS A 94 -3.506 -7.125 -6.550 1.00 0.00 C ATOM 1496 O CYS A 94 -4.636 -7.079 -7.037 1.00 0.00 O ATOM 1497 CB CYS A 94 -2.913 -6.547 -4.190 1.00 0.00 C ATOM 1498 SG CYS A 94 -2.170 -5.381 -3.025 1.00 0.00 S ATOM 0 H CYS A 94 -4.606 -4.839 -4.948 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.020 -5.709 -5.956 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.913 -6.806 -3.841 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.328 -7.466 -4.191 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.103 -5.909 -2.503 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.653 -8.116 -6.792 1.00 0.00 N ATOM 1505 CA GLN A 95 -3.005 -9.231 -7.663 1.00 0.00 C ATOM 1506 C GLN A 95 -3.696 -10.340 -6.876 1.00 0.00 C ATOM 1507 O GLN A 95 -4.764 -10.814 -7.261 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.755 -9.780 -8.353 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.021 -8.749 -9.194 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.037 -9.377 -10.161 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.430 -10.070 -11.101 1.00 0.00 O ATOM 1512 NE2 GLN A 95 1.249 -9.139 -9.936 1.00 0.00 N ATOM 0 H GLN A 95 -1.714 -8.169 -6.397 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.698 -8.864 -8.420 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.074 -10.170 -7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.040 -10.619 -8.988 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.747 -8.158 -9.753 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.489 -8.061 -8.536 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.530 -8.559 -9.145 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.957 -9.536 -10.554 1.00 0.00 H new ATOM 1521 N ASP A 96 -3.078 -10.749 -5.774 1.00 0.00 N ATOM 1522 CA ASP A 96 -3.634 -11.802 -4.932 1.00 0.00 C ATOM 1523 C ASP A 96 -3.693 -11.358 -3.474 1.00 0.00 C ATOM 1524 O ASP A 96 -2.983 -10.439 -3.066 1.00 0.00 O ATOM 1525 CB ASP A 96 -2.798 -13.077 -5.056 1.00 0.00 C ATOM 1526 CG ASP A 96 -3.263 -13.966 -6.193 1.00 0.00 C ATOM 1527 OD1 ASP A 96 -4.487 -14.036 -6.428 1.00 0.00 O ATOM 1528 OD2 ASP A 96 -2.402 -14.592 -6.847 1.00 0.00 O ATOM 0 H ASP A 96 -2.192 -10.368 -5.443 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.649 -12.007 -5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.753 -12.809 -5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.848 -13.633 -4.120 1.00 0.00 H new ATOM 1533 N GLU A 97 -4.546 -12.015 -2.695 1.00 0.00 N ATOM 1534 CA GLU A 97 -4.700 -11.686 -1.282 1.00 0.00 C ATOM 1535 C GLU A 97 -3.372 -11.827 -0.543 1.00 0.00 C ATOM 1536 O GLU A 97 -3.109 -11.113 0.423 1.00 0.00 O ATOM 1537 CB GLU A 97 -5.754 -12.587 -0.637 1.00 0.00 C ATOM 1538 CG GLU A 97 -5.363 -14.055 -0.606 1.00 0.00 C ATOM 1539 CD GLU A 97 -6.335 -14.901 0.194 1.00 0.00 C ATOM 1540 OE1 GLU A 97 -6.490 -14.641 1.406 1.00 0.00 O ATOM 1541 OE2 GLU A 97 -6.939 -15.823 -0.392 1.00 0.00 O ATOM 0 H GLU A 97 -5.141 -12.778 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.028 -10.649 -1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.936 -12.247 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.693 -12.481 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.311 -14.435 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.365 -14.152 -0.178 1.00 0.00 H new ATOM 1548 N GLN A 98 -2.540 -12.755 -1.006 1.00 0.00 N ATOM 1549 CA GLN A 98 -1.241 -12.992 -0.389 1.00 0.00 C ATOM 1550 C GLN A 98 -0.454 -11.691 -0.259 1.00 0.00 C ATOM 1551 O GLN A 98 0.075 -11.379 0.807 1.00 0.00 O ATOM 1552 CB GLN A 98 -0.440 -14.006 -1.207 1.00 0.00 C ATOM 1553 CG GLN A 98 -0.915 -15.440 -1.031 1.00 0.00 C ATOM 1554 CD GLN A 98 -1.171 -15.796 0.420 1.00 0.00 C ATOM 1555 OE1 GLN A 98 -2.239 -15.509 0.962 1.00 0.00 O ATOM 1556 NE2 GLN A 98 -0.191 -16.424 1.057 1.00 0.00 N ATOM 0 H GLN A 98 -2.743 -13.354 -1.806 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.411 -13.395 0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.501 -13.739 -2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.610 -13.942 -0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.830 -15.589 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.168 -16.119 -1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.677 -16.642 0.568 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.306 -16.689 2.035 1.00 0.00 H new ATOM 1565 N GLN A 99 -0.383 -10.938 -1.352 1.00 0.00 N ATOM 1566 CA GLN A 99 0.340 -9.671 -1.360 1.00 0.00 C ATOM 1567 C GLN A 99 -0.439 -8.595 -0.612 1.00 0.00 C ATOM 1568 O GLN A 99 0.123 -7.855 0.196 1.00 0.00 O ATOM 1569 CB GLN A 99 0.605 -9.220 -2.797 1.00 0.00 C ATOM 1570 CG GLN A 99 1.166 -7.811 -2.899 1.00 0.00 C ATOM 1571 CD GLN A 99 2.677 -7.776 -2.790 1.00 0.00 C ATOM 1572 OE1 GLN A 99 3.259 -8.350 -1.870 1.00 0.00 O ATOM 1573 NE2 GLN A 99 3.323 -7.099 -3.733 1.00 0.00 N ATOM 0 H GLN A 99 -0.817 -11.183 -2.242 1.00 0.00 H new ATOM 0 HA GLN A 99 1.293 -9.822 -0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.303 -9.915 -3.264 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.325 -9.274 -3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.864 -7.372 -3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.734 -7.194 -2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.801 -6.638 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.341 -7.040 -3.712 1.00 0.00 H new ATOM 1582 N TYR A 100 -1.736 -8.513 -0.886 1.00 0.00 N ATOM 1583 CA TYR A 100 -2.593 -7.525 -0.241 1.00 0.00 C ATOM 1584 C TYR A 100 -2.418 -7.558 1.275 1.00 0.00 C ATOM 1585 O TYR A 100 -2.252 -6.521 1.915 1.00 0.00 O ATOM 1586 CB TYR A 100 -4.058 -7.775 -0.602 1.00 0.00 C ATOM 1587 CG TYR A 100 -5.035 -7.170 0.380 1.00 0.00 C ATOM 1588 CD1 TYR A 100 -5.394 -5.831 0.299 1.00 0.00 C ATOM 1589 CD2 TYR A 100 -5.602 -7.940 1.390 1.00 0.00 C ATOM 1590 CE1 TYR A 100 -6.286 -5.274 1.195 1.00 0.00 C ATOM 1591 CE2 TYR A 100 -6.496 -7.392 2.289 1.00 0.00 C ATOM 1592 CZ TYR A 100 -6.835 -6.059 2.188 1.00 0.00 C ATOM 1593 OH TYR A 100 -7.725 -5.509 3.081 1.00 0.00 O ATOM 0 H TYR A 100 -2.217 -9.119 -1.551 1.00 0.00 H new ATOM 0 HA TYR A 100 -2.301 -6.539 -0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -4.254 -7.368 -1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -4.231 -8.850 -0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.968 -5.214 -0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -5.339 -8.984 1.473 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -6.552 -4.230 1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -6.927 -8.004 3.067 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.019 -6.196 3.715 1.00 0.00 H new ATOM 1603 N ALA A 101 -2.455 -8.760 1.841 1.00 0.00 N ATOM 1604 CA ALA A 101 -2.299 -8.931 3.280 1.00 0.00 C ATOM 1605 C ALA A 101 -1.018 -8.269 3.775 1.00 0.00 C ATOM 1606 O ALA A 101 -1.054 -7.398 4.645 1.00 0.00 O ATOM 1607 CB ALA A 101 -2.304 -10.410 3.639 1.00 0.00 C ATOM 0 H ALA A 101 -2.592 -9.629 1.325 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.142 -8.446 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.187 -10.523 4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.248 -10.857 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.481 -10.911 3.130 1.00 0.00 H new ATOM 1613 N ARG A 102 0.114 -8.688 3.218 1.00 0.00 N ATOM 1614 CA ARG A 102 1.407 -8.136 3.605 1.00 0.00 C ATOM 1615 C ARG A 102 1.357 -6.612 3.644 1.00 0.00 C ATOM 1616 O ARG A 102 1.505 -6.003 4.704 1.00 0.00 O ATOM 1617 CB ARG A 102 2.493 -8.597 2.632 1.00 0.00 C ATOM 1618 CG ARG A 102 2.981 -10.014 2.890 1.00 0.00 C ATOM 1619 CD ARG A 102 3.857 -10.517 1.753 1.00 0.00 C ATOM 1620 NE ARG A 102 4.527 -11.769 2.092 1.00 0.00 N ATOM 1621 CZ ARG A 102 5.473 -12.323 1.342 1.00 0.00 C ATOM 1622 NH1 ARG A 102 5.858 -11.739 0.216 1.00 0.00 N ATOM 1623 NH2 ARG A 102 6.036 -13.465 1.717 1.00 0.00 N ATOM 0 H ARG A 102 0.162 -9.408 2.497 1.00 0.00 H new ATOM 0 HA ARG A 102 1.646 -8.500 4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.108 -8.534 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.339 -7.913 2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.543 -10.042 3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.125 -10.678 3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.246 -10.662 0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.603 -9.761 1.508 1.00 0.00 H new ATOM 0 HE ARG A 102 4.254 -12.244 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.428 -10.862 -0.077 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.585 -12.167 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.742 -13.918 2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.762 -13.889 1.140 1.00 0.00 H new ATOM 1637 N TRP A 103 1.149 -6.002 2.483 1.00 0.00 N ATOM 1638 CA TRP A 103 1.081 -4.548 2.384 1.00 0.00 C ATOM 1639 C TRP A 103 0.063 -3.983 3.369 1.00 0.00 C ATOM 1640 O TRP A 103 0.423 -3.283 4.314 1.00 0.00 O ATOM 1641 CB TRP A 103 0.717 -4.130 0.959 1.00 0.00 C ATOM 1642 CG TRP A 103 1.897 -4.080 0.035 1.00 0.00 C ATOM 1643 CD1 TRP A 103 2.381 -5.101 -0.732 1.00 0.00 C ATOM 1644 CD2 TRP A 103 2.741 -2.951 -0.216 1.00 0.00 C ATOM 1645 NE1 TRP A 103 3.475 -4.675 -1.445 1.00 0.00 N ATOM 1646 CE2 TRP A 103 3.716 -3.359 -1.147 1.00 0.00 C ATOM 1647 CE3 TRP A 103 2.766 -1.635 0.252 1.00 0.00 C ATOM 1648 CZ2 TRP A 103 4.705 -2.498 -1.615 1.00 0.00 C ATOM 1649 CZ3 TRP A 103 3.749 -0.781 -0.213 1.00 0.00 C ATOM 1650 CH2 TRP A 103 4.706 -1.215 -1.139 1.00 0.00 C ATOM 0 H TRP A 103 1.024 -6.491 1.597 1.00 0.00 H new ATOM 0 HA TRP A 103 2.063 -4.145 2.633 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -0.019 -4.828 0.560 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.243 -3.149 0.986 1.00 0.00 H new ATOM 0 HD1 TRP A 103 1.965 -6.097 -0.772 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.020 -5.246 -2.092 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.031 -1.291 0.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 5.445 -2.831 -2.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.779 0.238 0.144 1.00 0.00 H new ATOM 0 HH2 TRP A 103 5.460 -0.523 -1.484 1.00 0.00 H new ATOM 1661 N MET A 104 -1.209 -4.293 3.141 1.00 0.00 N ATOM 1662 CA MET A 104 -2.279 -3.816 4.010 1.00 0.00 C ATOM 1663 C MET A 104 -1.833 -3.812 5.469 1.00 0.00 C ATOM 1664 O MET A 104 -1.616 -2.754 6.058 1.00 0.00 O ATOM 1665 CB MET A 104 -3.524 -4.689 3.848 1.00 0.00 C ATOM 1666 CG MET A 104 -4.561 -4.478 4.939 1.00 0.00 C ATOM 1667 SD MET A 104 -4.713 -2.749 5.427 1.00 0.00 S ATOM 1668 CE MET A 104 -6.051 -2.213 4.363 1.00 0.00 C ATOM 0 H MET A 104 -1.524 -4.872 2.363 1.00 0.00 H new ATOM 0 HA MET A 104 -2.521 -2.794 3.719 1.00 0.00 H new ATOM 0 HB2 MET A 104 -3.980 -4.481 2.880 1.00 0.00 H new ATOM 0 HB3 MET A 104 -3.224 -5.737 3.841 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.528 -4.840 4.590 1.00 0.00 H new ATOM 0 HG3 MET A 104 -4.293 -5.075 5.810 1.00 0.00 H new ATOM 0 HE1 MET A 104 -5.921 -1.159 4.118 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.045 -2.802 3.446 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.002 -2.351 4.877 1.00 0.00 H new ATOM 1678 N ALA A 105 -1.699 -5.002 6.045 1.00 0.00 N ATOM 1679 CA ALA A 105 -1.277 -5.135 7.434 1.00 0.00 C ATOM 1680 C ALA A 105 -0.217 -4.097 7.788 1.00 0.00 C ATOM 1681 O ALA A 105 -0.239 -3.519 8.874 1.00 0.00 O ATOM 1682 CB ALA A 105 -0.751 -6.539 7.694 1.00 0.00 C ATOM 0 H ALA A 105 -1.877 -5.888 5.571 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.145 -4.961 8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.439 -6.624 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.537 -7.266 7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.101 -6.735 7.043 1.00 0.00 H new ATOM 1688 N GLY A 106 0.710 -3.866 6.864 1.00 0.00 N ATOM 1689 CA GLY A 106 1.766 -2.898 7.098 1.00 0.00 C ATOM 1690 C GLY A 106 1.235 -1.485 7.244 1.00 0.00 C ATOM 1691 O GLY A 106 1.599 -0.772 8.180 1.00 0.00 O ATOM 0 H GLY A 106 0.749 -4.332 5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.313 -3.172 8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.476 -2.933 6.272 1.00 0.00 H new ATOM 1695 N CYS A 107 0.376 -1.079 6.316 1.00 0.00 N ATOM 1696 CA CYS A 107 -0.204 0.259 6.344 1.00 0.00 C ATOM 1697 C CYS A 107 -0.969 0.493 7.642 1.00 0.00 C ATOM 1698 O CYS A 107 -0.993 1.606 8.168 1.00 0.00 O ATOM 1699 CB CYS A 107 -1.134 0.460 5.146 1.00 0.00 C ATOM 1700 SG CYS A 107 -0.277 0.585 3.559 1.00 0.00 S ATOM 0 H CYS A 107 0.066 -1.657 5.535 1.00 0.00 H new ATOM 0 HA CYS A 107 0.610 0.982 6.288 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.838 -0.371 5.102 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -1.720 1.366 5.303 1.00 0.00 H new ATOM 0 HG CYS A 107 -1.147 0.751 2.608 1.00 0.00 H new ATOM 1706 N ARG A 108 -1.594 -0.563 8.153 1.00 0.00 N ATOM 1707 CA ARG A 108 -2.363 -0.471 9.389 1.00 0.00 C ATOM 1708 C ARG A 108 -1.445 -0.234 10.584 1.00 0.00 C ATOM 1709 O ARG A 108 -1.772 0.535 11.489 1.00 0.00 O ATOM 1710 CB ARG A 108 -3.177 -1.748 9.603 1.00 0.00 C ATOM 1711 CG ARG A 108 -4.387 -1.860 8.690 1.00 0.00 C ATOM 1712 CD ARG A 108 -4.840 -3.304 8.539 1.00 0.00 C ATOM 1713 NE ARG A 108 -4.944 -3.982 9.828 1.00 0.00 N ATOM 1714 CZ ARG A 108 -5.949 -3.798 10.677 1.00 0.00 C ATOM 1715 NH1 ARG A 108 -6.932 -2.960 10.374 1.00 0.00 N ATOM 1716 NH2 ARG A 108 -5.973 -4.452 11.831 1.00 0.00 N ATOM 0 H ARG A 108 -1.583 -1.491 7.731 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.044 0.376 9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.531 -2.611 9.443 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.510 -1.787 10.640 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.204 -1.261 9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.144 -1.450 7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.807 -3.330 8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.136 -3.840 7.903 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.204 -4.633 10.091 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.917 -2.455 9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.703 -2.820 11.027 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.219 -5.097 12.067 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.745 -4.310 12.482 1.00 0.00 H new ATOM 1730 N LEU A 109 -0.295 -0.898 10.581 1.00 0.00 N ATOM 1731 CA LEU A 109 0.671 -0.761 11.665 1.00 0.00 C ATOM 1732 C LEU A 109 1.062 0.701 11.864 1.00 0.00 C ATOM 1733 O LEU A 109 0.878 1.261 12.944 1.00 0.00 O ATOM 1734 CB LEU A 109 1.918 -1.598 11.374 1.00 0.00 C ATOM 1735 CG LEU A 109 1.729 -3.115 11.406 1.00 0.00 C ATOM 1736 CD1 LEU A 109 2.977 -3.819 10.897 1.00 0.00 C ATOM 1737 CD2 LEU A 109 1.389 -3.581 12.814 1.00 0.00 C ATOM 0 H LEU A 109 -0.008 -1.537 9.840 1.00 0.00 H new ATOM 0 HA LEU A 109 0.204 -1.122 12.581 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.297 -1.320 10.391 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.687 -1.332 12.099 1.00 0.00 H new ATOM 0 HG LEU A 109 0.898 -3.372 10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.824 -4.898 10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.177 -3.509 9.871 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.826 -3.555 11.527 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.258 -4.663 12.817 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.199 -3.311 13.492 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.466 -3.103 13.143 1.00 0.00 H new ATOM 1749 N ALA A 110 1.599 1.312 10.814 1.00 0.00 N ATOM 1750 CA ALA A 110 2.012 2.709 10.872 1.00 0.00 C ATOM 1751 C ALA A 110 0.828 3.618 11.186 1.00 0.00 C ATOM 1752 O ALA A 110 0.975 4.629 11.872 1.00 0.00 O ATOM 1753 CB ALA A 110 2.663 3.122 9.560 1.00 0.00 C ATOM 0 H ALA A 110 1.758 0.862 9.913 1.00 0.00 H new ATOM 0 HA ALA A 110 2.741 2.814 11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.966 4.167 9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.539 2.500 9.377 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.951 2.995 8.745 1.00 0.00 H new ATOM 1759 N SER A 111 -0.344 3.252 10.678 1.00 0.00 N ATOM 1760 CA SER A 111 -1.552 4.038 10.901 1.00 0.00 C ATOM 1761 C SER A 111 -1.672 4.447 12.366 1.00 0.00 C ATOM 1762 O SER A 111 -2.057 5.573 12.679 1.00 0.00 O ATOM 1763 CB SER A 111 -2.789 3.241 10.480 1.00 0.00 C ATOM 1764 OG SER A 111 -3.959 4.038 10.555 1.00 0.00 O ATOM 0 H SER A 111 -0.483 2.417 10.109 1.00 0.00 H new ATOM 0 HA SER A 111 -1.485 4.941 10.294 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.660 2.874 9.462 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.899 2.367 11.122 1.00 0.00 H new ATOM 0 HG SER A 111 -4.735 3.507 10.280 1.00 0.00 H new ATOM 1770 N LYS A 112 -1.338 3.523 13.261 1.00 0.00 N ATOM 1771 CA LYS A 112 -1.405 3.785 14.693 1.00 0.00 C ATOM 1772 C LYS A 112 -0.043 4.209 15.234 1.00 0.00 C ATOM 1773 O LYS A 112 0.054 4.792 16.313 1.00 0.00 O ATOM 1774 CB LYS A 112 -1.897 2.542 15.438 1.00 0.00 C ATOM 1775 CG LYS A 112 -3.309 2.127 15.063 1.00 0.00 C ATOM 1776 CD LYS A 112 -4.333 3.147 15.535 1.00 0.00 C ATOM 1777 CE LYS A 112 -5.750 2.714 15.189 1.00 0.00 C ATOM 1778 NZ LYS A 112 -6.667 3.880 15.049 1.00 0.00 N ATOM 0 H LYS A 112 -1.018 2.585 13.019 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.110 4.601 14.854 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.218 1.714 15.234 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.856 2.732 16.511 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.380 2.012 13.981 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.533 1.155 15.503 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.245 3.281 16.613 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.124 4.113 15.076 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -5.739 2.146 14.259 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.126 2.047 15.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.622 3.544 14.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.697 4.408 15.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.323 4.504 14.291 1.00 0.00 H new ATOM 1792 N GLY A 113 1.008 3.912 14.475 1.00 0.00 N ATOM 1793 CA GLY A 113 2.350 4.270 14.895 1.00 0.00 C ATOM 1794 C GLY A 113 3.286 3.078 14.925 1.00 0.00 C ATOM 1795 O GLY A 113 4.490 3.220 14.709 1.00 0.00 O ATOM 0 H GLY A 113 0.954 3.430 13.578 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.750 5.025 14.218 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.309 4.721 15.887 1.00 0.00 H new ATOM 1799 N ARG A 114 2.733 1.901 15.195 1.00 0.00 N ATOM 1800 CA ARG A 114 3.527 0.680 15.256 1.00 0.00 C ATOM 1801 C ARG A 114 4.012 0.277 13.867 1.00 0.00 C ATOM 1802 O ARG A 114 3.409 0.640 12.856 1.00 0.00 O ATOM 1803 CB ARG A 114 2.709 -0.457 15.872 1.00 0.00 C ATOM 1804 CG ARG A 114 1.411 -0.741 15.133 1.00 0.00 C ATOM 1805 CD ARG A 114 0.445 -1.541 15.993 1.00 0.00 C ATOM 1806 NE ARG A 114 0.638 -2.981 15.840 1.00 0.00 N ATOM 1807 CZ ARG A 114 0.069 -3.887 16.627 1.00 0.00 C ATOM 1808 NH1 ARG A 114 -0.726 -3.504 17.617 1.00 0.00 N ATOM 1809 NH2 ARG A 114 0.293 -5.178 16.424 1.00 0.00 N ATOM 0 H ARG A 114 1.738 1.767 15.375 1.00 0.00 H new ATOM 0 HA ARG A 114 4.397 0.874 15.884 1.00 0.00 H new ATOM 0 HB2 ARG A 114 3.315 -1.363 15.887 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.481 -0.209 16.909 1.00 0.00 H new ATOM 0 HG2 ARG A 114 0.945 0.199 14.839 1.00 0.00 H new ATOM 0 HG3 ARG A 114 1.625 -1.291 14.217 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.579 -1.267 17.039 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.579 -1.282 15.724 1.00 0.00 H new ATOM 0 HE ARG A 114 1.243 -3.309 15.087 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -0.902 -2.512 17.775 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -1.162 -4.202 18.220 1.00 0.00 H new ATOM 0 HH21 ARG A 114 0.903 -5.476 15.663 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -0.145 -5.873 17.029 1.00 0.00 H new ATOM 1823 N THR A 115 5.107 -0.476 13.823 1.00 0.00 N ATOM 1824 CA THR A 115 5.675 -0.927 12.558 1.00 0.00 C ATOM 1825 C THR A 115 5.798 -2.446 12.522 1.00 0.00 C ATOM 1826 O THR A 115 5.539 -3.123 13.516 1.00 0.00 O ATOM 1827 CB THR A 115 7.062 -0.305 12.311 1.00 0.00 C ATOM 1828 OG1 THR A 115 8.078 -1.125 12.898 1.00 0.00 O ATOM 1829 CG2 THR A 115 7.137 1.098 12.894 1.00 0.00 C ATOM 0 H THR A 115 5.618 -0.786 14.649 1.00 0.00 H new ATOM 0 HA THR A 115 4.994 -0.601 11.772 1.00 0.00 H new ATOM 0 HB THR A 115 7.222 -0.244 11.235 1.00 0.00 H new ATOM 0 HG1 THR A 115 8.957 -0.724 12.735 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.126 1.517 12.707 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.381 1.728 12.425 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.958 1.056 13.968 1.00 0.00 H new ATOM 1837 N MET A 116 6.195 -2.975 11.369 1.00 0.00 N ATOM 1838 CA MET A 116 6.354 -4.415 11.204 1.00 0.00 C ATOM 1839 C MET A 116 7.298 -4.982 12.260 1.00 0.00 C ATOM 1840 O MET A 116 7.136 -6.118 12.706 1.00 0.00 O ATOM 1841 CB MET A 116 6.885 -4.735 9.805 1.00 0.00 C ATOM 1842 CG MET A 116 5.869 -4.491 8.700 1.00 0.00 C ATOM 1843 SD MET A 116 6.431 -5.092 7.096 1.00 0.00 S ATOM 1844 CE MET A 116 7.555 -3.781 6.618 1.00 0.00 C ATOM 0 H MET A 116 6.412 -2.428 10.536 1.00 0.00 H new ATOM 0 HA MET A 116 5.376 -4.880 11.328 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.771 -4.129 9.614 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.200 -5.778 9.774 1.00 0.00 H new ATOM 0 HG2 MET A 116 4.931 -4.982 8.959 1.00 0.00 H new ATOM 0 HG3 MET A 116 5.662 -3.423 8.631 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.379 -3.512 5.576 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.388 -2.910 7.251 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.583 -4.123 6.735 1.00 0.00 H new ATOM 1854 N ALA A 117 8.284 -4.184 12.655 1.00 0.00 N ATOM 1855 CA ALA A 117 9.253 -4.606 13.660 1.00 0.00 C ATOM 1856 C ALA A 117 8.585 -5.435 14.752 1.00 0.00 C ATOM 1857 O ALA A 117 9.225 -6.273 15.387 1.00 0.00 O ATOM 1858 CB ALA A 117 9.948 -3.395 14.264 1.00 0.00 C ATOM 0 H ALA A 117 8.433 -3.242 12.295 1.00 0.00 H new ATOM 0 HA ALA A 117 9.999 -5.232 13.170 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.668 -3.725 15.013 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.466 -2.844 13.479 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.208 -2.747 14.734 1.00 0.00 H new ATOM 1864 N ASP A 118 7.296 -5.194 14.966 1.00 0.00 N ATOM 1865 CA ASP A 118 6.542 -5.919 15.982 1.00 0.00 C ATOM 1866 C ASP A 118 6.097 -7.281 15.459 1.00 0.00 C ATOM 1867 O ASP A 118 5.493 -7.381 14.391 1.00 0.00 O ATOM 1868 CB ASP A 118 5.324 -5.105 16.420 1.00 0.00 C ATOM 1869 CG ASP A 118 4.788 -5.544 17.769 1.00 0.00 C ATOM 1870 OD1 ASP A 118 4.130 -6.604 17.829 1.00 0.00 O ATOM 1871 OD2 ASP A 118 5.027 -4.828 18.764 1.00 0.00 O ATOM 0 H ASP A 118 6.752 -4.503 14.450 1.00 0.00 H new ATOM 0 HA ASP A 118 7.194 -6.075 16.842 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.593 -4.050 16.465 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.538 -5.202 15.671 1.00 0.00 H new ATOM 1876 N SER A 119 6.401 -8.329 16.219 1.00 0.00 N ATOM 1877 CA SER A 119 6.037 -9.686 15.830 1.00 0.00 C ATOM 1878 C SER A 119 4.552 -9.774 15.489 1.00 0.00 C ATOM 1879 O SER A 119 4.153 -10.517 14.592 1.00 0.00 O ATOM 1880 CB SER A 119 6.372 -10.669 16.954 1.00 0.00 C ATOM 1881 OG SER A 119 5.839 -10.229 18.192 1.00 0.00 O ATOM 0 H SER A 119 6.898 -8.264 17.107 1.00 0.00 H new ATOM 0 HA SER A 119 6.612 -9.949 14.943 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.972 -11.654 16.712 1.00 0.00 H new ATOM 0 HB3 SER A 119 7.454 -10.776 17.038 1.00 0.00 H new ATOM 0 HG SER A 119 6.065 -10.875 18.894 1.00 0.00 H new ATOM 1887 N SER A 120 3.740 -9.010 16.211 1.00 0.00 N ATOM 1888 CA SER A 120 2.298 -9.003 15.988 1.00 0.00 C ATOM 1889 C SER A 120 1.978 -8.803 14.510 1.00 0.00 C ATOM 1890 O SER A 120 0.988 -9.329 14.001 1.00 0.00 O ATOM 1891 CB SER A 120 1.638 -7.900 16.818 1.00 0.00 C ATOM 1892 OG SER A 120 0.230 -8.056 16.844 1.00 0.00 O ATOM 0 H SER A 120 4.055 -8.388 16.955 1.00 0.00 H new ATOM 0 HA SER A 120 1.902 -9.969 16.300 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.029 -7.923 17.835 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.892 -6.925 16.401 1.00 0.00 H new ATOM 0 HG SER A 120 -0.105 -7.855 17.743 1.00 0.00 H new ATOM 1898 N TYR A 121 2.823 -8.039 13.826 1.00 0.00 N ATOM 1899 CA TYR A 121 2.629 -7.766 12.407 1.00 0.00 C ATOM 1900 C TYR A 121 2.169 -9.020 11.669 1.00 0.00 C ATOM 1901 O TYR A 121 1.042 -9.089 11.179 1.00 0.00 O ATOM 1902 CB TYR A 121 3.925 -7.242 11.786 1.00 0.00 C ATOM 1903 CG TYR A 121 4.059 -7.553 10.312 1.00 0.00 C ATOM 1904 CD1 TYR A 121 3.109 -7.111 9.400 1.00 0.00 C ATOM 1905 CD2 TYR A 121 5.137 -8.287 9.832 1.00 0.00 C ATOM 1906 CE1 TYR A 121 3.227 -7.393 8.053 1.00 0.00 C ATOM 1907 CE2 TYR A 121 5.263 -8.572 8.486 1.00 0.00 C ATOM 1908 CZ TYR A 121 4.306 -8.123 7.601 1.00 0.00 C ATOM 1909 OH TYR A 121 4.428 -8.405 6.259 1.00 0.00 O ATOM 0 H TYR A 121 3.649 -7.598 14.231 1.00 0.00 H new ATOM 0 HA TYR A 121 1.854 -7.005 12.311 1.00 0.00 H new ATOM 0 HB2 TYR A 121 3.975 -6.162 11.927 1.00 0.00 H new ATOM 0 HB3 TYR A 121 4.773 -7.673 12.318 1.00 0.00 H new ATOM 0 HD1 TYR A 121 2.264 -6.537 9.750 1.00 0.00 H new ATOM 0 HD2 TYR A 121 5.889 -8.640 10.522 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.478 -7.044 7.358 1.00 0.00 H new ATOM 0 HE2 TYR A 121 6.107 -9.144 8.129 1.00 0.00 H new ATOM 0 HH TYR A 121 5.244 -8.926 6.107 1.00 0.00 H new ATOM 1919 N THR A 122 3.051 -10.012 11.595 1.00 0.00 N ATOM 1920 CA THR A 122 2.738 -11.264 10.918 1.00 0.00 C ATOM 1921 C THR A 122 1.387 -11.809 11.366 1.00 0.00 C ATOM 1922 O THR A 122 0.710 -12.512 10.616 1.00 0.00 O ATOM 1923 CB THR A 122 3.820 -12.329 11.177 1.00 0.00 C ATOM 1924 OG1 THR A 122 3.716 -13.379 10.209 1.00 0.00 O ATOM 1925 CG2 THR A 122 3.684 -12.909 12.578 1.00 0.00 C ATOM 0 H THR A 122 3.988 -9.972 11.996 1.00 0.00 H new ATOM 0 HA THR A 122 2.702 -11.045 9.851 1.00 0.00 H new ATOM 0 HB THR A 122 4.796 -11.852 11.091 1.00 0.00 H new ATOM 0 HG1 THR A 122 4.408 -14.051 10.380 1.00 0.00 H new ATOM 0 HG21 THR A 122 4.459 -13.659 12.738 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.793 -12.112 13.314 1.00 0.00 H new ATOM 0 HG23 THR A 122 2.703 -13.372 12.687 1.00 0.00 H new ATOM 1933 N SER A 123 0.999 -11.480 12.594 1.00 0.00 N ATOM 1934 CA SER A 123 -0.271 -11.939 13.144 1.00 0.00 C ATOM 1935 C SER A 123 -1.438 -11.474 12.278 1.00 0.00 C ATOM 1936 O SER A 123 -2.435 -12.179 12.132 1.00 0.00 O ATOM 1937 CB SER A 123 -0.447 -11.427 14.575 1.00 0.00 C ATOM 1938 OG SER A 123 -1.293 -12.283 15.323 1.00 0.00 O ATOM 0 H SER A 123 1.546 -10.897 13.227 1.00 0.00 H new ATOM 0 HA SER A 123 -0.261 -13.029 13.155 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.526 -11.356 15.061 1.00 0.00 H new ATOM 0 HB3 SER A 123 -0.867 -10.421 14.556 1.00 0.00 H new ATOM 0 HG SER A 123 -1.388 -11.935 16.234 1.00 0.00 H new ATOM 1944 N GLU A 124 -1.303 -10.281 11.707 1.00 0.00 N ATOM 1945 CA GLU A 124 -2.346 -9.721 10.856 1.00 0.00 C ATOM 1946 C GLU A 124 -2.360 -10.402 9.490 1.00 0.00 C ATOM 1947 O GLU A 124 -3.421 -10.711 8.949 1.00 0.00 O ATOM 1948 CB GLU A 124 -2.141 -8.214 10.684 1.00 0.00 C ATOM 1949 CG GLU A 124 -2.787 -7.383 11.779 1.00 0.00 C ATOM 1950 CD GLU A 124 -2.428 -7.869 13.170 1.00 0.00 C ATOM 1951 OE1 GLU A 124 -1.236 -8.157 13.407 1.00 0.00 O ATOM 1952 OE2 GLU A 124 -3.337 -7.962 14.020 1.00 0.00 O ATOM 0 H GLU A 124 -0.483 -9.685 11.818 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.306 -9.897 11.340 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.072 -8.002 10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.547 -7.908 9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.478 -6.343 11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.870 -7.408 11.658 1.00 0.00 H new ATOM 1959 N VAL A 125 -1.172 -10.633 8.939 1.00 0.00 N ATOM 1960 CA VAL A 125 -1.046 -11.278 7.638 1.00 0.00 C ATOM 1961 C VAL A 125 -1.761 -12.624 7.620 1.00 0.00 C ATOM 1962 O VAL A 125 -2.403 -12.983 6.633 1.00 0.00 O ATOM 1963 CB VAL A 125 0.432 -11.489 7.257 1.00 0.00 C ATOM 1964 CG1 VAL A 125 0.542 -12.166 5.900 1.00 0.00 C ATOM 1965 CG2 VAL A 125 1.177 -10.163 7.263 1.00 0.00 C ATOM 0 H VAL A 125 -0.284 -10.383 9.374 1.00 0.00 H new ATOM 0 HA VAL A 125 -1.510 -10.614 6.909 1.00 0.00 H new ATOM 0 HB VAL A 125 0.892 -12.141 7.999 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.593 -12.307 5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.044 -13.135 5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.067 -11.542 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.219 -10.330 6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 125 0.719 -9.485 6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.127 -9.722 8.259 1.00 0.00 H new ATOM 1975 N GLN A 126 -1.646 -13.364 8.718 1.00 0.00 N ATOM 1976 CA GLN A 126 -2.282 -14.671 8.828 1.00 0.00 C ATOM 1977 C GLN A 126 -3.791 -14.530 8.994 1.00 0.00 C ATOM 1978 O GLN A 126 -4.566 -15.103 8.229 1.00 0.00 O ATOM 1979 CB GLN A 126 -1.697 -15.449 10.009 1.00 0.00 C ATOM 1980 CG GLN A 126 -0.181 -15.374 10.095 1.00 0.00 C ATOM 1981 CD GLN A 126 0.503 -16.487 9.327 1.00 0.00 C ATOM 1982 OE1 GLN A 126 0.040 -17.628 9.319 1.00 0.00 O ATOM 1983 NE2 GLN A 126 1.612 -16.161 8.674 1.00 0.00 N ATOM 0 H GLN A 126 -1.118 -13.081 9.544 1.00 0.00 H new ATOM 0 HA GLN A 126 -2.086 -15.221 7.907 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.125 -15.064 10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.997 -16.494 9.930 1.00 0.00 H new ATOM 0 HG2 GLN A 126 0.154 -14.412 9.708 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.122 -15.420 11.141 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.961 -15.203 8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.115 -16.868 8.139 1.00 0.00 H new ATOM 1992 N ALA A 127 -4.201 -13.764 10.000 1.00 0.00 N ATOM 1993 CA ALA A 127 -5.618 -13.546 10.265 1.00 0.00 C ATOM 1994 C ALA A 127 -6.366 -13.178 8.988 1.00 0.00 C ATOM 1995 O ALA A 127 -7.471 -13.663 8.744 1.00 0.00 O ATOM 1996 CB ALA A 127 -5.797 -12.460 11.316 1.00 0.00 C ATOM 0 H ALA A 127 -3.572 -13.284 10.644 1.00 0.00 H new ATOM 0 HA ALA A 127 -6.039 -14.477 10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.860 -12.307 11.504 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -5.305 -12.763 12.240 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -5.355 -11.530 10.958 1.00 0.00 H new ATOM 2002 N ILE A 128 -5.757 -12.319 8.178 1.00 0.00 N ATOM 2003 CA ILE A 128 -6.366 -11.888 6.926 1.00 0.00 C ATOM 2004 C ILE A 128 -6.634 -13.074 6.007 1.00 0.00 C ATOM 2005 O ILE A 128 -7.785 -13.389 5.701 1.00 0.00 O ATOM 2006 CB ILE A 128 -5.474 -10.872 6.188 1.00 0.00 C ATOM 2007 CG1 ILE A 128 -5.403 -9.559 6.970 1.00 0.00 C ATOM 2008 CG2 ILE A 128 -6.001 -10.629 4.782 1.00 0.00 C ATOM 2009 CD1 ILE A 128 -4.202 -8.709 6.618 1.00 0.00 C ATOM 0 H ILE A 128 -4.843 -11.908 8.366 1.00 0.00 H new ATOM 0 HA ILE A 128 -7.312 -11.411 7.183 1.00 0.00 H new ATOM 0 HB ILE A 128 -4.467 -11.282 6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.311 -8.985 6.784 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.380 -9.782 8.037 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -5.361 -9.909 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -6.004 -11.567 4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.016 -10.236 4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -4.217 -7.794 7.211 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -3.288 -9.264 6.831 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.234 -8.455 5.558 1.00 0.00 H new ATOM 2021 N LEU A 129 -5.564 -13.731 5.571 1.00 0.00 N ATOM 2022 CA LEU A 129 -5.683 -14.886 4.688 1.00 0.00 C ATOM 2023 C LEU A 129 -6.827 -15.794 5.129 1.00 0.00 C ATOM 2024 O LEU A 129 -7.543 -16.354 4.300 1.00 0.00 O ATOM 2025 CB LEU A 129 -4.372 -15.673 4.665 1.00 0.00 C ATOM 2026 CG LEU A 129 -3.348 -15.241 3.614 1.00 0.00 C ATOM 2027 CD1 LEU A 129 -3.278 -13.724 3.529 1.00 0.00 C ATOM 2028 CD2 LEU A 129 -1.979 -15.823 3.933 1.00 0.00 C ATOM 0 H LEU A 129 -4.605 -13.483 5.815 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.899 -14.523 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -3.908 -15.596 5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -4.606 -16.725 4.504 1.00 0.00 H new ATOM 0 HG LEU A 129 -3.667 -15.624 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -2.544 -13.435 2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -4.256 -13.330 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -2.983 -13.319 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.263 -15.505 3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.652 -15.470 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -2.039 -16.911 3.942 1.00 0.00 H new ATOM 2040 N ALA A 130 -6.993 -15.932 6.440 1.00 0.00 N ATOM 2041 CA ALA A 130 -8.052 -16.768 6.992 1.00 0.00 C ATOM 2042 C ALA A 130 -9.420 -16.129 6.784 1.00 0.00 C ATOM 2043 O ALA A 130 -10.289 -16.699 6.124 1.00 0.00 O ATOM 2044 CB ALA A 130 -7.805 -17.024 8.472 1.00 0.00 C ATOM 0 H ALA A 130 -6.408 -15.476 7.140 1.00 0.00 H new ATOM 0 HA ALA A 130 -8.042 -17.721 6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -8.603 -17.650 8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.849 -17.531 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -7.786 -16.075 9.007 1.00 0.00 H new ATOM 2050 N PHE A 131 -9.606 -14.942 7.352 1.00 0.00 N ATOM 2051 CA PHE A 131 -10.871 -14.226 7.230 1.00 0.00 C ATOM 2052 C PHE A 131 -11.409 -14.312 5.805 1.00 0.00 C ATOM 2053 O PHE A 131 -12.522 -14.788 5.577 1.00 0.00 O ATOM 2054 CB PHE A 131 -10.692 -12.760 7.633 1.00 0.00 C ATOM 2055 CG PHE A 131 -11.907 -11.916 7.375 1.00 0.00 C ATOM 2056 CD1 PHE A 131 -13.132 -12.254 7.927 1.00 0.00 C ATOM 2057 CD2 PHE A 131 -11.824 -10.784 6.581 1.00 0.00 C ATOM 2058 CE1 PHE A 131 -14.252 -11.479 7.693 1.00 0.00 C ATOM 2059 CE2 PHE A 131 -12.940 -10.004 6.343 1.00 0.00 C ATOM 2060 CZ PHE A 131 -14.156 -10.353 6.898 1.00 0.00 C ATOM 0 H PHE A 131 -8.897 -14.456 7.901 1.00 0.00 H new ATOM 0 HA PHE A 131 -11.592 -14.694 7.900 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -10.443 -12.710 8.693 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -9.846 -12.342 7.087 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -13.213 -13.134 8.548 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -10.876 -10.508 6.143 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -15.201 -11.753 8.131 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -12.861 -9.123 5.724 1.00 0.00 H new ATOM 0 HZ PHE A 131 -15.030 -9.747 6.711 1.00 0.00 H new ATOM 2070 N LEU A 132 -10.613 -13.847 4.849 1.00 0.00 N ATOM 2071 CA LEU A 132 -11.008 -13.870 3.445 1.00 0.00 C ATOM 2072 C LEU A 132 -11.573 -15.234 3.061 1.00 0.00 C ATOM 2073 O LEU A 132 -12.598 -15.324 2.386 1.00 0.00 O ATOM 2074 CB LEU A 132 -9.813 -13.530 2.553 1.00 0.00 C ATOM 2075 CG LEU A 132 -9.239 -12.121 2.708 1.00 0.00 C ATOM 2076 CD1 LEU A 132 -7.961 -11.973 1.897 1.00 0.00 C ATOM 2077 CD2 LEU A 132 -10.264 -11.078 2.285 1.00 0.00 C ATOM 0 H LEU A 132 -9.690 -13.449 5.020 1.00 0.00 H new ATOM 0 HA LEU A 132 -11.786 -13.121 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -9.019 -14.249 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -10.110 -13.667 1.513 1.00 0.00 H new ATOM 0 HG LEU A 132 -8.999 -11.961 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -7.567 -10.964 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -7.223 -12.696 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -8.176 -12.153 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -9.838 -10.081 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -10.535 -11.237 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -11.153 -11.168 2.909 1.00 0.00 H new ATOM 2089 N SER A 133 -10.897 -16.292 3.497 1.00 0.00 N ATOM 2090 CA SER A 133 -11.330 -17.652 3.197 1.00 0.00 C ATOM 2091 C SER A 133 -12.697 -17.935 3.812 1.00 0.00 C ATOM 2092 O SER A 133 -13.604 -18.428 3.140 1.00 0.00 O ATOM 2093 CB SER A 133 -10.305 -18.662 3.716 1.00 0.00 C ATOM 2094 OG SER A 133 -10.391 -19.886 3.007 1.00 0.00 O ATOM 0 H SER A 133 -10.048 -16.234 4.059 1.00 0.00 H new ATOM 0 HA SER A 133 -11.411 -17.751 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 133 -9.301 -18.250 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 133 -10.472 -18.841 4.778 1.00 0.00 H new ATOM 0 HG SER A 133 -9.725 -20.514 3.356 1.00 0.00 H new ATOM 2100 N LEU A 134 -12.838 -17.618 5.095 1.00 0.00 N ATOM 2101 CA LEU A 134 -14.094 -17.838 5.803 1.00 0.00 C ATOM 2102 C LEU A 134 -15.256 -17.176 5.069 1.00 0.00 C ATOM 2103 O LEU A 134 -16.330 -17.762 4.933 1.00 0.00 O ATOM 2104 CB LEU A 134 -14.000 -17.292 7.229 1.00 0.00 C ATOM 2105 CG LEU A 134 -12.762 -17.705 8.026 1.00 0.00 C ATOM 2106 CD1 LEU A 134 -12.829 -17.153 9.441 1.00 0.00 C ATOM 2107 CD2 LEU A 134 -12.624 -19.220 8.049 1.00 0.00 C ATOM 0 H LEU A 134 -12.098 -17.208 5.665 1.00 0.00 H new ATOM 0 HA LEU A 134 -14.277 -18.912 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -14.031 -16.203 7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -14.885 -17.613 7.779 1.00 0.00 H new ATOM 0 HG LEU A 134 -11.882 -17.287 7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -11.940 -17.457 9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -12.879 -16.065 9.405 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -13.717 -17.541 9.941 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -11.738 -19.496 8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -13.507 -19.659 8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -12.528 -19.592 7.029 1.00 0.00 H new