USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 594 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 77 LYS NZ :NH3+ 160:sc= 0.597 (180deg=0.00902) USER MOD Set 1.2: A 93 TYR OH : rot -16:sc= 1.79 USER MOD Set 2.1: A 56 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 57 MET CE :methyl 168:sc= -3.21! (180deg=-3.74!) USER MOD Set 3.1: A 48 ASN : amide:sc= -2.56! C(o=-2.5!,f=-4.9!) USER MOD Set 3.2: A 55 ASN : amide:sc= 0.0073 K(o=-2.5,f=-4.9) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.333 F(o=-1.5,f=-0.33) USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.119 (180deg=-0.493) USER MOD Single : A 30 GLN : amide:sc= -6.57! C(o=-6.6!,f=-7.3!) USER MOD Single : A 32 GLN : amide:sc= -0.278 K(o=-0.28,f=-3.8!) USER MOD Single : A 33 GLN : amide:sc= -2.61 K(o=-2.6,f=-6.5!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 38 THR OG1 : rot -95:sc= 1.22 USER MOD Single : A 43 CYS SG : rot 43:sc=-0.000363 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.6) USER MOD Single : A 49 ASN : amide:sc= -0.909 K(o=-0.91,f=-2.4!) USER MOD Single : A 50 SER OG : rot -174:sc= 1.24 USER MOD Single : A 54 SER OG : rot 60:sc= -0.441 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.0196 F(o=-1.2,f=-0.02) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 2.04 (180deg=0.6) USER MOD Single : A 67 TYR OH : rot 9:sc= 0.261 USER MOD Single : A 70 MET CE :methyl 165:sc= -2.42! (180deg=-2.84!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -126:sc= -4.78! (180deg=-7.48!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -11:sc= 0.886 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 22 13.141 -4.492 -7.082 1.00 0.00 N ATOM 47 CA VAL A 22 14.015 -3.458 -6.548 1.00 0.00 C ATOM 48 C VAL A 22 13.488 -3.040 -5.180 1.00 0.00 C ATOM 49 O VAL A 22 14.162 -2.368 -4.400 1.00 0.00 O ATOM 50 CB VAL A 22 14.095 -2.231 -7.488 1.00 0.00 C ATOM 51 CG1 VAL A 22 12.795 -1.440 -7.474 1.00 0.00 C ATOM 52 CG2 VAL A 22 15.268 -1.343 -7.109 1.00 0.00 C ATOM 0 HA VAL A 22 15.024 -3.860 -6.461 1.00 0.00 H new ATOM 0 HB VAL A 22 14.252 -2.596 -8.503 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.882 -0.585 -8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.977 -2.079 -7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.593 -1.089 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.308 -0.486 -7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.144 -0.995 -6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.195 -1.911 -7.190 1.00 0.00 H new ATOM 62 N LEU A 23 12.261 -3.471 -4.909 1.00 0.00 N ATOM 63 CA LEU A 23 11.600 -3.215 -3.644 1.00 0.00 C ATOM 64 C LEU A 23 12.173 -4.138 -2.577 1.00 0.00 C ATOM 65 O LEU A 23 11.552 -5.128 -2.188 1.00 0.00 O ATOM 66 CB LEU A 23 10.091 -3.442 -3.784 1.00 0.00 C ATOM 67 CG LEU A 23 9.473 -2.964 -5.104 1.00 0.00 C ATOM 68 CD1 LEU A 23 7.966 -3.168 -5.096 1.00 0.00 C ATOM 69 CD2 LEU A 23 9.816 -1.506 -5.378 1.00 0.00 C ATOM 0 H LEU A 23 11.698 -4.010 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 23 11.770 -2.179 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.889 -4.507 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.587 -2.935 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 23 9.898 -3.564 -5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.547 -2.823 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.743 -4.227 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.526 -2.601 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.364 -1.197 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.432 -0.884 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.898 -1.392 -5.440 1.00 0.00 H new ATOM 81 N GLN A 24 13.370 -3.817 -2.129 1.00 0.00 N ATOM 82 CA GLN A 24 14.084 -4.660 -1.197 1.00 0.00 C ATOM 83 C GLN A 24 13.922 -4.188 0.234 1.00 0.00 C ATOM 84 O GLN A 24 14.382 -3.109 0.611 1.00 0.00 O ATOM 85 CB GLN A 24 15.556 -4.728 -1.582 1.00 0.00 C ATOM 86 CG GLN A 24 15.789 -5.608 -2.792 1.00 0.00 C ATOM 87 CD GLN A 24 15.424 -7.055 -2.514 1.00 0.00 C ATOM 88 OE1 GLN A 24 15.657 -7.495 -1.284 1.00 0.00 O flip ATOM 89 NE2 GLN A 24 14.949 -7.774 -3.394 1.00 0.00 N flip ATOM 0 H GLN A 24 13.871 -2.970 -2.399 1.00 0.00 H new ATOM 0 HA GLN A 24 13.654 -5.660 -1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.923 -3.723 -1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 24 16.133 -5.110 -0.740 1.00 0.00 H new ATOM 0 HG2 GLN A 24 15.198 -5.238 -3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 24 16.836 -5.548 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 24 14.785 -7.397 -4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.720 -8.747 -3.189 1.00 0.00 H new ATOM 98 N PHE A 25 13.257 -5.008 1.026 1.00 0.00 N ATOM 99 CA PHE A 25 13.079 -4.727 2.435 1.00 0.00 C ATOM 100 C PHE A 25 14.344 -5.076 3.190 1.00 0.00 C ATOM 101 O PHE A 25 14.866 -6.187 3.086 1.00 0.00 O ATOM 102 CB PHE A 25 11.885 -5.509 2.989 1.00 0.00 C ATOM 103 CG PHE A 25 10.669 -5.426 2.113 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.962 -4.240 2.000 1.00 0.00 C ATOM 105 CD2 PHE A 25 10.238 -6.532 1.395 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.848 -4.156 1.186 1.00 0.00 C ATOM 107 CE2 PHE A 25 9.123 -6.454 0.583 1.00 0.00 C ATOM 108 CZ PHE A 25 8.429 -5.265 0.478 1.00 0.00 C ATOM 0 H PHE A 25 12.829 -5.879 0.713 1.00 0.00 H new ATOM 0 HA PHE A 25 12.876 -3.664 2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.168 -6.555 3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.638 -5.129 3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.285 -3.371 2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.780 -7.463 1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.307 -3.225 1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.795 -7.322 0.031 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.558 -5.202 -0.158 1.00 0.00 H new ATOM 118 N LYS A 26 14.837 -4.086 3.926 1.00 0.00 N ATOM 119 CA LYS A 26 16.033 -4.211 4.740 1.00 0.00 C ATOM 120 C LYS A 26 15.965 -5.436 5.648 1.00 0.00 C ATOM 121 O LYS A 26 16.981 -6.051 5.964 1.00 0.00 O ATOM 122 CB LYS A 26 16.184 -2.927 5.563 1.00 0.00 C ATOM 123 CG LYS A 26 16.717 -3.129 6.967 1.00 0.00 C ATOM 124 CD LYS A 26 15.637 -2.845 7.994 1.00 0.00 C ATOM 125 CE LYS A 26 15.347 -1.357 8.108 1.00 0.00 C ATOM 126 NZ LYS A 26 16.550 -0.583 8.519 1.00 0.00 N ATOM 0 H LYS A 26 14.408 -3.162 3.972 1.00 0.00 H new ATOM 0 HA LYS A 26 16.901 -4.348 4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.850 -2.248 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.213 -2.436 5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.076 -4.152 7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.569 -2.471 7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.724 -3.374 7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.948 -3.231 8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.986 -0.984 7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.549 -1.198 8.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.255 0.328 8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.083 -1.122 9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.154 -0.414 7.689 1.00 0.00 H new ATOM 140 N ASP A 27 14.755 -5.774 6.047 1.00 0.00 N ATOM 141 CA ASP A 27 14.506 -6.889 6.936 1.00 0.00 C ATOM 142 C ASP A 27 13.015 -7.167 6.929 1.00 0.00 C ATOM 143 O ASP A 27 12.265 -6.435 6.274 1.00 0.00 O ATOM 144 CB ASP A 27 15.001 -6.554 8.356 1.00 0.00 C ATOM 145 CG ASP A 27 14.698 -7.636 9.374 1.00 0.00 C ATOM 146 OD1 ASP A 27 15.381 -8.676 9.362 1.00 0.00 O ATOM 147 OD2 ASP A 27 13.750 -7.452 10.171 1.00 0.00 O ATOM 0 H ASP A 27 13.911 -5.278 5.761 1.00 0.00 H new ATOM 0 HA ASP A 27 15.046 -7.775 6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.077 -6.385 8.326 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.541 -5.621 8.682 1.00 0.00 H new ATOM 152 N GLU A 28 12.581 -8.198 7.635 1.00 0.00 N ATOM 153 CA GLU A 28 11.170 -8.461 7.810 1.00 0.00 C ATOM 154 C GLU A 28 10.478 -7.203 8.335 1.00 0.00 C ATOM 155 O GLU A 28 9.361 -6.892 7.944 1.00 0.00 O ATOM 156 CB GLU A 28 10.992 -9.634 8.778 1.00 0.00 C ATOM 157 CG GLU A 28 9.795 -9.492 9.694 1.00 0.00 C ATOM 158 CD GLU A 28 9.736 -10.563 10.756 1.00 0.00 C ATOM 159 OE1 GLU A 28 10.627 -10.592 11.629 1.00 0.00 O ATOM 160 OE2 GLU A 28 8.809 -11.396 10.710 1.00 0.00 O ATOM 0 H GLU A 28 13.194 -8.869 8.098 1.00 0.00 H new ATOM 0 HA GLU A 28 10.716 -8.728 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.892 -10.555 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.892 -9.733 9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.825 -8.514 10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.883 -9.527 9.099 1.00 0.00 H new ATOM 167 N ALA A 29 11.186 -6.460 9.183 1.00 0.00 N ATOM 168 CA ALA A 29 10.658 -5.237 9.774 1.00 0.00 C ATOM 169 C ALA A 29 10.271 -4.218 8.711 1.00 0.00 C ATOM 170 O ALA A 29 9.221 -3.582 8.810 1.00 0.00 O ATOM 171 CB ALA A 29 11.673 -4.624 10.724 1.00 0.00 C ATOM 0 H ALA A 29 12.136 -6.689 9.477 1.00 0.00 H new ATOM 0 HA ALA A 29 9.759 -5.507 10.328 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.262 -3.712 11.156 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.900 -5.333 11.521 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.586 -4.387 10.178 1.00 0.00 H new ATOM 177 N GLN A 30 11.109 -4.062 7.685 1.00 0.00 N ATOM 178 CA GLN A 30 10.798 -3.124 6.613 1.00 0.00 C ATOM 179 C GLN A 30 9.585 -3.631 5.849 1.00 0.00 C ATOM 180 O GLN A 30 8.764 -2.858 5.357 1.00 0.00 O ATOM 181 CB GLN A 30 11.966 -2.948 5.634 1.00 0.00 C ATOM 182 CG GLN A 30 11.901 -1.621 4.900 1.00 0.00 C ATOM 183 CD GLN A 30 12.928 -1.490 3.797 1.00 0.00 C ATOM 184 OE1 GLN A 30 14.070 -1.112 4.040 1.00 0.00 O ATOM 185 NE2 GLN A 30 12.520 -1.769 2.572 1.00 0.00 N ATOM 0 H GLN A 30 11.991 -4.563 7.576 1.00 0.00 H new ATOM 0 HA GLN A 30 10.599 -2.154 7.069 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.908 -3.015 6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.958 -3.763 4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.905 -1.499 4.474 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.043 -0.812 5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.562 -2.081 2.412 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.163 -1.673 1.786 1.00 0.00 H new ATOM 194 N GLU A 31 9.488 -4.949 5.775 1.00 0.00 N ATOM 195 CA GLU A 31 8.389 -5.607 5.096 1.00 0.00 C ATOM 196 C GLU A 31 7.097 -5.447 5.896 1.00 0.00 C ATOM 197 O GLU A 31 6.024 -5.278 5.324 1.00 0.00 O ATOM 198 CB GLU A 31 8.731 -7.085 4.885 1.00 0.00 C ATOM 199 CG GLU A 31 7.598 -7.910 4.308 1.00 0.00 C ATOM 200 CD GLU A 31 7.929 -9.385 4.252 1.00 0.00 C ATOM 201 OE1 GLU A 31 8.046 -10.014 5.325 1.00 0.00 O ATOM 202 OE2 GLU A 31 8.091 -9.918 3.135 1.00 0.00 O ATOM 0 H GLU A 31 10.169 -5.589 6.184 1.00 0.00 H new ATOM 0 HA GLU A 31 8.234 -5.143 4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.592 -7.156 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.030 -7.517 5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.702 -7.764 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.368 -7.554 3.304 1.00 0.00 H new ATOM 209 N GLN A 32 7.214 -5.474 7.223 1.00 0.00 N ATOM 210 CA GLN A 32 6.068 -5.288 8.107 1.00 0.00 C ATOM 211 C GLN A 32 5.397 -3.951 7.830 1.00 0.00 C ATOM 212 O GLN A 32 4.171 -3.851 7.835 1.00 0.00 O ATOM 213 CB GLN A 32 6.508 -5.331 9.568 1.00 0.00 C ATOM 214 CG GLN A 32 7.170 -6.628 9.987 1.00 0.00 C ATOM 215 CD GLN A 32 7.317 -6.737 11.489 1.00 0.00 C ATOM 216 OE1 GLN A 32 8.326 -6.328 12.063 1.00 0.00 O ATOM 217 NE2 GLN A 32 6.300 -7.283 12.135 1.00 0.00 N ATOM 0 H GLN A 32 8.097 -5.624 7.710 1.00 0.00 H new ATOM 0 HA GLN A 32 5.361 -6.096 7.918 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.200 -4.509 9.750 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.638 -5.161 10.202 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.582 -7.469 9.619 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.153 -6.699 9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.483 -7.608 11.618 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.333 -7.379 13.150 1.00 0.00 H new ATOM 226 N GLN A 33 6.206 -2.924 7.589 1.00 0.00 N ATOM 227 CA GLN A 33 5.678 -1.615 7.243 1.00 0.00 C ATOM 228 C GLN A 33 4.878 -1.718 5.957 1.00 0.00 C ATOM 229 O GLN A 33 3.763 -1.217 5.865 1.00 0.00 O ATOM 230 CB GLN A 33 6.802 -0.594 7.067 1.00 0.00 C ATOM 231 CG GLN A 33 6.300 0.825 6.850 1.00 0.00 C ATOM 232 CD GLN A 33 7.420 1.822 6.626 1.00 0.00 C ATOM 233 OE1 GLN A 33 7.239 2.832 5.949 1.00 0.00 O ATOM 234 NE2 GLN A 33 8.582 1.551 7.199 1.00 0.00 N ATOM 0 H GLN A 33 7.224 -2.975 7.627 1.00 0.00 H new ATOM 0 HA GLN A 33 5.036 -1.277 8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.442 -0.614 7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.419 -0.887 6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.630 0.840 5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.714 1.134 7.716 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.692 0.702 7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.368 2.191 7.086 1.00 0.00 H new ATOM 243 N PHE A 34 5.456 -2.405 4.979 1.00 0.00 N ATOM 244 CA PHE A 34 4.808 -2.617 3.694 1.00 0.00 C ATOM 245 C PHE A 34 3.481 -3.347 3.890 1.00 0.00 C ATOM 246 O PHE A 34 2.509 -3.092 3.178 1.00 0.00 O ATOM 247 CB PHE A 34 5.733 -3.425 2.781 1.00 0.00 C ATOM 248 CG PHE A 34 5.345 -3.397 1.330 1.00 0.00 C ATOM 249 CD1 PHE A 34 5.687 -2.325 0.527 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.625 -4.442 0.775 1.00 0.00 C ATOM 251 CE1 PHE A 34 5.320 -2.296 -0.805 1.00 0.00 C ATOM 252 CE2 PHE A 34 4.257 -4.419 -0.554 1.00 0.00 C ATOM 253 CZ PHE A 34 4.650 -3.348 -1.357 1.00 0.00 C ATOM 0 H PHE A 34 6.381 -2.828 5.055 1.00 0.00 H new ATOM 0 HA PHE A 34 4.605 -1.652 3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.749 -3.042 2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.747 -4.460 3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.247 -1.501 0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.348 -5.285 1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.565 -1.437 -1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.669 -5.224 -0.970 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.424 -3.352 -2.413 1.00 0.00 H new ATOM 263 N ARG A 35 3.451 -4.251 4.867 1.00 0.00 N ATOM 264 CA ARG A 35 2.225 -4.951 5.233 1.00 0.00 C ATOM 265 C ARG A 35 1.172 -3.967 5.733 1.00 0.00 C ATOM 266 O ARG A 35 0.069 -3.909 5.202 1.00 0.00 O ATOM 267 CB ARG A 35 2.505 -5.963 6.350 1.00 0.00 C ATOM 268 CG ARG A 35 2.829 -7.382 5.912 1.00 0.00 C ATOM 269 CD ARG A 35 4.056 -7.462 5.034 1.00 0.00 C ATOM 270 NE ARG A 35 3.777 -7.194 3.622 1.00 0.00 N ATOM 271 CZ ARG A 35 4.210 -7.975 2.629 1.00 0.00 C ATOM 272 NH1 ARG A 35 4.804 -9.131 2.903 1.00 0.00 N ATOM 273 NH2 ARG A 35 4.017 -7.622 1.364 1.00 0.00 N ATOM 0 H ARG A 35 4.266 -4.516 5.420 1.00 0.00 H new ATOM 0 HA ARG A 35 1.858 -5.464 4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.338 -5.591 6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.634 -5.998 7.005 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.979 -8.004 6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.976 -7.794 5.373 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.798 -6.748 5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.497 -8.454 5.128 1.00 0.00 H new ATOM 0 HE ARG A 35 3.225 -6.370 3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.930 -9.423 3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.134 -9.727 2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.536 -6.750 1.146 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.350 -8.223 0.610 1.00 0.00 H new ATOM 287 N GLN A 36 1.553 -3.151 6.710 1.00 0.00 N ATOM 288 CA GLN A 36 0.610 -2.269 7.396 1.00 0.00 C ATOM 289 C GLN A 36 0.163 -1.123 6.509 1.00 0.00 C ATOM 290 O GLN A 36 -1.014 -0.757 6.498 1.00 0.00 O ATOM 291 CB GLN A 36 1.238 -1.718 8.675 1.00 0.00 C ATOM 292 CG GLN A 36 1.680 -2.809 9.634 1.00 0.00 C ATOM 293 CD GLN A 36 2.308 -2.269 10.902 1.00 0.00 C ATOM 294 OE1 GLN A 36 2.937 -1.211 10.901 1.00 0.00 O ATOM 295 NE2 GLN A 36 2.140 -2.999 11.993 1.00 0.00 N ATOM 0 H GLN A 36 2.513 -3.081 7.047 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.270 -2.862 7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.097 -1.100 8.415 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.519 -1.070 9.176 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.819 -3.424 9.896 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.395 -3.459 9.130 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.611 -3.870 11.947 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.540 -2.691 12.879 1.00 0.00 H new ATOM 304 N LEU A 37 1.105 -0.572 5.761 1.00 0.00 N ATOM 305 CA LEU A 37 0.828 0.557 4.889 1.00 0.00 C ATOM 306 C LEU A 37 -0.198 0.190 3.824 1.00 0.00 C ATOM 307 O LEU A 37 -0.882 1.057 3.288 1.00 0.00 O ATOM 308 CB LEU A 37 2.119 1.061 4.239 1.00 0.00 C ATOM 309 CG LEU A 37 3.166 1.604 5.209 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.324 2.235 4.455 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.539 2.591 6.174 1.00 0.00 C ATOM 0 H LEU A 37 2.074 -0.891 5.741 1.00 0.00 H new ATOM 0 HA LEU A 37 0.409 1.358 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.563 0.244 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.866 1.846 3.526 1.00 0.00 H new ATOM 0 HG LEU A 37 3.561 0.770 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.057 2.615 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.792 1.487 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.954 3.057 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.301 2.966 6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.110 3.423 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.754 2.094 6.744 1.00 0.00 H new ATOM 323 N THR A 38 -0.311 -1.096 3.524 1.00 0.00 N ATOM 324 CA THR A 38 -1.264 -1.545 2.528 1.00 0.00 C ATOM 325 C THR A 38 -2.528 -2.122 3.172 1.00 0.00 C ATOM 326 O THR A 38 -3.473 -2.485 2.473 1.00 0.00 O ATOM 327 CB THR A 38 -0.642 -2.574 1.567 1.00 0.00 C ATOM 328 OG1 THR A 38 0.055 -3.596 2.290 1.00 0.00 O ATOM 329 CG2 THR A 38 0.307 -1.887 0.597 1.00 0.00 C ATOM 0 H THR A 38 0.241 -1.838 3.953 1.00 0.00 H new ATOM 0 HA THR A 38 -1.546 -0.665 1.950 1.00 0.00 H new ATOM 0 HB THR A 38 -1.451 -3.040 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.007 -3.369 2.341 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.739 -2.628 -0.076 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.241 -1.145 0.016 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.104 -1.395 1.155 1.00 0.00 H new ATOM 337 N GLU A 39 -2.552 -2.196 4.507 1.00 0.00 N ATOM 338 CA GLU A 39 -3.724 -2.707 5.216 1.00 0.00 C ATOM 339 C GLU A 39 -4.800 -1.636 5.334 1.00 0.00 C ATOM 340 O GLU A 39 -5.986 -1.913 5.156 1.00 0.00 O ATOM 341 CB GLU A 39 -3.368 -3.210 6.619 1.00 0.00 C ATOM 342 CG GLU A 39 -2.428 -4.402 6.633 1.00 0.00 C ATOM 343 CD GLU A 39 -2.267 -5.003 8.014 1.00 0.00 C ATOM 344 OE1 GLU A 39 -1.676 -4.334 8.890 1.00 0.00 O ATOM 345 OE2 GLU A 39 -2.730 -6.142 8.239 1.00 0.00 O ATOM 0 H GLU A 39 -1.781 -1.911 5.111 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.102 -3.544 4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.911 -2.395 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.287 -3.480 7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.804 -5.164 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.452 -4.094 6.259 1.00 0.00 H new ATOM 352 N GLU A 40 -4.385 -0.415 5.637 1.00 0.00 N ATOM 353 CA GLU A 40 -5.325 0.685 5.816 1.00 0.00 C ATOM 354 C GLU A 40 -5.718 1.302 4.479 1.00 0.00 C ATOM 355 O GLU A 40 -6.559 2.198 4.417 1.00 0.00 O ATOM 356 CB GLU A 40 -4.732 1.753 6.738 1.00 0.00 C ATOM 357 CG GLU A 40 -4.557 1.284 8.174 1.00 0.00 C ATOM 358 CD GLU A 40 -4.047 2.375 9.094 1.00 0.00 C ATOM 359 OE1 GLU A 40 -4.844 3.253 9.470 1.00 0.00 O ATOM 360 OE2 GLU A 40 -2.839 2.367 9.430 1.00 0.00 O ATOM 0 H GLU A 40 -3.406 -0.160 5.764 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.225 0.280 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.764 2.064 6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.378 2.631 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.512 0.916 8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.862 0.445 8.194 1.00 0.00 H new ATOM 367 N LEU A 41 -5.115 0.813 3.408 1.00 0.00 N ATOM 368 CA LEU A 41 -5.401 1.331 2.085 1.00 0.00 C ATOM 369 C LEU A 41 -6.288 0.366 1.308 1.00 0.00 C ATOM 370 O LEU A 41 -5.886 -0.755 0.993 1.00 0.00 O ATOM 371 CB LEU A 41 -4.099 1.612 1.333 1.00 0.00 C ATOM 372 CG LEU A 41 -4.268 2.194 -0.071 1.00 0.00 C ATOM 373 CD1 LEU A 41 -5.449 3.148 -0.116 1.00 0.00 C ATOM 374 CD2 LEU A 41 -3.003 2.915 -0.491 1.00 0.00 C ATOM 0 H LEU A 41 -4.427 0.060 3.431 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.944 2.270 2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.499 2.303 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.534 0.683 1.258 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.458 1.374 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.553 3.552 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.359 2.613 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.284 3.965 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.134 3.326 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.796 3.724 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.168 2.214 -0.492 1.00 0.00 H new ATOM 386 N ARG A 42 -7.489 0.827 0.989 1.00 0.00 N ATOM 387 CA ARG A 42 -8.492 -0.002 0.347 1.00 0.00 C ATOM 388 C ARG A 42 -8.372 -0.004 -1.167 1.00 0.00 C ATOM 389 O ARG A 42 -7.997 0.995 -1.780 1.00 0.00 O ATOM 390 CB ARG A 42 -9.902 0.492 0.675 1.00 0.00 C ATOM 391 CG ARG A 42 -10.525 -0.088 1.928 1.00 0.00 C ATOM 392 CD ARG A 42 -12.014 0.226 1.953 1.00 0.00 C ATOM 393 NE ARG A 42 -12.679 -0.318 3.130 1.00 0.00 N ATOM 394 CZ ARG A 42 -13.988 -0.238 3.356 1.00 0.00 C ATOM 395 NH1 ARG A 42 -14.778 0.420 2.518 1.00 0.00 N ATOM 396 NH2 ARG A 42 -14.503 -0.795 4.440 1.00 0.00 N ATOM 0 H ARG A 42 -7.792 1.784 1.168 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.321 -1.008 0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.873 1.577 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.552 0.266 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.370 -1.167 1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.041 0.327 2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.155 1.307 1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.482 -0.178 1.056 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.103 -0.791 3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.383 0.870 1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.780 0.476 2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.897 -1.284 5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.506 -0.736 4.617 1.00 0.00 H new ATOM 410 N CYS A 43 -8.705 -1.144 -1.746 1.00 0.00 N ATOM 411 CA CYS A 43 -9.098 -1.222 -3.138 1.00 0.00 C ATOM 412 C CYS A 43 -10.623 -1.351 -3.162 1.00 0.00 C ATOM 413 O CYS A 43 -11.165 -2.435 -2.943 1.00 0.00 O ATOM 414 CB CYS A 43 -8.417 -2.412 -3.829 1.00 0.00 C ATOM 415 SG CYS A 43 -8.479 -3.959 -2.884 1.00 0.00 S ATOM 0 H CYS A 43 -8.710 -2.042 -1.262 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.787 -0.332 -3.685 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.889 -2.573 -4.798 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.374 -2.158 -4.020 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.663 -4.105 -2.367 1.00 0.00 H new ATOM 421 N PRO A 44 -11.333 -0.226 -3.370 1.00 0.00 N ATOM 422 CA PRO A 44 -12.787 -0.135 -3.147 1.00 0.00 C ATOM 423 C PRO A 44 -13.640 -0.912 -4.153 1.00 0.00 C ATOM 424 O PRO A 44 -14.514 -0.345 -4.810 1.00 0.00 O ATOM 425 CB PRO A 44 -13.065 1.365 -3.260 1.00 0.00 C ATOM 426 CG PRO A 44 -11.982 1.889 -4.137 1.00 0.00 C ATOM 427 CD PRO A 44 -10.770 1.051 -3.844 1.00 0.00 C ATOM 0 HA PRO A 44 -13.056 -0.581 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.048 1.553 -3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.048 1.845 -2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.262 1.817 -5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.788 2.942 -3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.155 0.912 -4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.136 1.514 -3.088 1.00 0.00 H new ATOM 435 N LYS A 45 -13.400 -2.208 -4.256 1.00 0.00 N ATOM 436 CA LYS A 45 -14.232 -3.068 -5.082 1.00 0.00 C ATOM 437 C LYS A 45 -15.016 -4.041 -4.210 1.00 0.00 C ATOM 438 O LYS A 45 -15.638 -4.978 -4.716 1.00 0.00 O ATOM 439 CB LYS A 45 -13.388 -3.833 -6.098 1.00 0.00 C ATOM 440 CG LYS A 45 -12.466 -4.862 -5.483 1.00 0.00 C ATOM 441 CD LYS A 45 -11.807 -5.697 -6.561 1.00 0.00 C ATOM 442 CE LYS A 45 -11.139 -6.935 -5.990 1.00 0.00 C ATOM 443 NZ LYS A 45 -10.725 -7.879 -7.059 1.00 0.00 N ATOM 0 H LYS A 45 -12.637 -2.688 -3.779 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.934 -2.438 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.052 -4.331 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.792 -3.121 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.704 -4.364 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.030 -5.507 -4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.554 -5.994 -7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.066 -5.094 -7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.267 -6.641 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.825 -7.437 -5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.273 -8.712 -6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.561 -8.179 -7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.051 -7.408 -7.696 1.00 0.00 H new ATOM 457 N CYS A 46 -14.946 -3.824 -2.888 1.00 0.00 N ATOM 458 CA CYS A 46 -15.647 -4.655 -1.895 1.00 0.00 C ATOM 459 C CYS A 46 -15.023 -6.041 -1.777 1.00 0.00 C ATOM 460 O CYS A 46 -15.353 -6.808 -0.873 1.00 0.00 O ATOM 461 CB CYS A 46 -17.123 -4.790 -2.244 1.00 0.00 C ATOM 462 SG CYS A 46 -18.014 -3.216 -2.307 1.00 0.00 S ATOM 0 H CYS A 46 -14.401 -3.067 -2.476 1.00 0.00 H new ATOM 0 HA CYS A 46 -15.549 -4.151 -0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -17.213 -5.285 -3.211 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -17.602 -5.437 -1.509 1.00 0.00 H new ATOM 0 HG CYS A 46 -19.259 -3.434 -2.613 1.00 0.00 H new ATOM 468 N GLN A 47 -14.123 -6.355 -2.686 1.00 0.00 N ATOM 469 CA GLN A 47 -13.474 -7.646 -2.708 1.00 0.00 C ATOM 470 C GLN A 47 -12.007 -7.489 -2.353 1.00 0.00 C ATOM 471 O GLN A 47 -11.424 -6.437 -2.618 1.00 0.00 O ATOM 472 CB GLN A 47 -13.637 -8.280 -4.085 1.00 0.00 C ATOM 473 CG GLN A 47 -15.073 -8.648 -4.416 1.00 0.00 C ATOM 474 CD GLN A 47 -15.666 -9.657 -3.453 1.00 0.00 C ATOM 475 OE1 GLN A 47 -14.964 -10.511 -2.904 1.00 0.00 O ATOM 476 NE2 GLN A 47 -16.966 -9.556 -3.238 1.00 0.00 N ATOM 0 H GLN A 47 -13.823 -5.723 -3.428 1.00 0.00 H new ATOM 0 HA GLN A 47 -13.937 -8.301 -1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -13.264 -7.589 -4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -13.019 -9.176 -4.139 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.684 -7.745 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.114 -9.052 -5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -17.507 -8.834 -3.714 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.428 -10.200 -2.596 1.00 0.00 H new ATOM 485 N ASN A 48 -11.431 -8.530 -1.750 1.00 0.00 N ATOM 486 CA ASN A 48 -10.044 -8.506 -1.273 1.00 0.00 C ATOM 487 C ASN A 48 -9.931 -7.684 0.002 1.00 0.00 C ATOM 488 O ASN A 48 -10.752 -6.803 0.268 1.00 0.00 O ATOM 489 CB ASN A 48 -9.080 -7.965 -2.340 1.00 0.00 C ATOM 490 CG ASN A 48 -8.809 -8.954 -3.462 1.00 0.00 C ATOM 491 OD1 ASN A 48 -8.646 -8.568 -4.623 1.00 0.00 O ATOM 492 ND2 ASN A 48 -8.716 -10.230 -3.122 1.00 0.00 N ATOM 0 H ASN A 48 -11.911 -9.414 -1.578 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.757 -9.536 -1.060 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.494 -7.050 -2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.136 -7.697 -1.865 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.503 -10.932 -3.830 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.857 -10.511 -2.152 1.00 0.00 H new ATOM 499 N ASN A 49 -8.935 -7.992 0.816 1.00 0.00 N ATOM 500 CA ASN A 49 -8.698 -7.229 2.031 1.00 0.00 C ATOM 501 C ASN A 49 -7.636 -6.165 1.780 1.00 0.00 C ATOM 502 O ASN A 49 -6.444 -6.364 2.028 1.00 0.00 O ATOM 503 CB ASN A 49 -8.326 -8.146 3.214 1.00 0.00 C ATOM 504 CG ASN A 49 -7.142 -9.065 2.947 1.00 0.00 C ATOM 505 OD1 ASN A 49 -5.998 -8.745 3.263 1.00 0.00 O ATOM 506 ND2 ASN A 49 -7.413 -10.229 2.376 1.00 0.00 N ATOM 0 H ASN A 49 -8.281 -8.759 0.660 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.624 -6.726 2.310 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.101 -7.526 4.082 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.192 -8.755 3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.661 -10.891 2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.374 -10.463 2.126 1.00 0.00 H new ATOM 513 N SER A 50 -8.097 -5.038 1.242 1.00 0.00 N ATOM 514 CA SER A 50 -7.232 -3.907 0.929 1.00 0.00 C ATOM 515 C SER A 50 -6.230 -4.274 -0.170 1.00 0.00 C ATOM 516 O SER A 50 -6.348 -5.324 -0.802 1.00 0.00 O ATOM 517 CB SER A 50 -6.514 -3.436 2.196 1.00 0.00 C ATOM 518 OG SER A 50 -7.449 -3.092 3.205 1.00 0.00 O ATOM 0 H SER A 50 -9.079 -4.885 1.012 1.00 0.00 H new ATOM 0 HA SER A 50 -7.845 -3.088 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.853 -4.223 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.887 -2.575 1.966 1.00 0.00 H new ATOM 0 HG SER A 50 -6.976 -2.702 3.970 1.00 0.00 H new ATOM 524 N ILE A 51 -5.253 -3.408 -0.417 1.00 0.00 N ATOM 525 CA ILE A 51 -4.249 -3.687 -1.440 1.00 0.00 C ATOM 526 C ILE A 51 -3.109 -4.529 -0.865 1.00 0.00 C ATOM 527 O ILE A 51 -2.133 -4.824 -1.553 1.00 0.00 O ATOM 528 CB ILE A 51 -3.671 -2.395 -2.063 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.927 -1.566 -1.015 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.786 -1.576 -2.705 1.00 0.00 C ATOM 531 CD1 ILE A 51 -2.179 -0.387 -1.597 1.00 0.00 C ATOM 0 H ILE A 51 -5.134 -2.519 0.069 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.754 -4.244 -2.229 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.955 -2.677 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.642 -1.204 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.222 -2.209 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.367 -0.669 -3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.266 -2.165 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.523 -1.308 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.675 0.155 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.440 -0.743 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.882 0.278 -2.099 1.00 0.00 H new ATOM 543 N ALA A 52 -3.237 -4.912 0.404 1.00 0.00 N ATOM 544 CA ALA A 52 -2.237 -5.748 1.062 1.00 0.00 C ATOM 545 C ALA A 52 -2.310 -7.178 0.541 1.00 0.00 C ATOM 546 O ALA A 52 -1.287 -7.831 0.336 1.00 0.00 O ATOM 547 CB ALA A 52 -2.432 -5.722 2.571 1.00 0.00 C ATOM 0 H ALA A 52 -4.026 -4.655 0.998 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.249 -5.348 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.679 -6.350 3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.332 -4.699 2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.425 -6.098 2.816 1.00 0.00 H new ATOM 553 N ASP A 53 -3.525 -7.655 0.344 1.00 0.00 N ATOM 554 CA ASP A 53 -3.750 -8.955 -0.268 1.00 0.00 C ATOM 555 C ASP A 53 -4.860 -8.836 -1.297 1.00 0.00 C ATOM 556 O ASP A 53 -6.040 -9.015 -0.991 1.00 0.00 O ATOM 557 CB ASP A 53 -4.101 -10.010 0.787 1.00 0.00 C ATOM 558 CG ASP A 53 -4.406 -11.365 0.175 1.00 0.00 C ATOM 559 OD1 ASP A 53 -3.460 -12.044 -0.270 1.00 0.00 O ATOM 560 OD2 ASP A 53 -5.590 -11.761 0.142 1.00 0.00 O ATOM 0 H ASP A 53 -4.378 -7.159 0.601 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.832 -9.278 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.271 -10.109 1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.964 -9.672 1.361 1.00 0.00 H new ATOM 565 N SER A 54 -4.473 -8.511 -2.517 1.00 0.00 N ATOM 566 CA SER A 54 -5.431 -8.250 -3.570 1.00 0.00 C ATOM 567 C SER A 54 -4.961 -8.845 -4.890 1.00 0.00 C ATOM 568 O SER A 54 -3.760 -8.994 -5.128 1.00 0.00 O ATOM 569 CB SER A 54 -5.654 -6.741 -3.700 1.00 0.00 C ATOM 570 OG SER A 54 -4.420 -6.047 -3.695 1.00 0.00 O ATOM 0 H SER A 54 -3.498 -8.422 -2.802 1.00 0.00 H new ATOM 0 HA SER A 54 -6.377 -8.725 -3.312 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.193 -6.527 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.277 -6.389 -2.878 1.00 0.00 H new ATOM 0 HG SER A 54 -3.870 -6.352 -4.447 1.00 0.00 H new ATOM 576 N ASN A 55 -5.918 -9.194 -5.737 1.00 0.00 N ATOM 577 CA ASN A 55 -5.620 -9.806 -7.025 1.00 0.00 C ATOM 578 C ASN A 55 -5.666 -8.770 -8.139 1.00 0.00 C ATOM 579 O ASN A 55 -5.612 -9.111 -9.321 1.00 0.00 O ATOM 580 CB ASN A 55 -6.622 -10.923 -7.320 1.00 0.00 C ATOM 581 CG ASN A 55 -6.490 -12.099 -6.371 1.00 0.00 C ATOM 582 OD1 ASN A 55 -7.100 -12.123 -5.300 1.00 0.00 O ATOM 583 ND2 ASN A 55 -5.703 -13.089 -6.764 1.00 0.00 N ATOM 0 H ASN A 55 -6.913 -9.063 -5.555 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.615 -10.224 -6.979 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.634 -10.523 -7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.480 -11.271 -8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.584 -13.911 -6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.216 -13.029 -7.658 1.00 0.00 H new ATOM 590 N SER A 56 -5.777 -7.504 -7.759 1.00 0.00 N ATOM 591 CA SER A 56 -5.831 -6.424 -8.729 1.00 0.00 C ATOM 592 C SER A 56 -4.429 -6.035 -9.169 1.00 0.00 C ATOM 593 O SER A 56 -3.556 -5.763 -8.345 1.00 0.00 O ATOM 594 CB SER A 56 -6.557 -5.208 -8.153 1.00 0.00 C ATOM 595 OG SER A 56 -6.631 -4.153 -9.101 1.00 0.00 O ATOM 0 H SER A 56 -5.831 -7.202 -6.786 1.00 0.00 H new ATOM 0 HA SER A 56 -6.388 -6.778 -9.597 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.563 -5.494 -7.846 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.037 -4.861 -7.260 1.00 0.00 H new ATOM 0 HG SER A 56 -7.234 -3.456 -8.768 1.00 0.00 H new ATOM 601 N MET A 57 -4.238 -6.012 -10.481 1.00 0.00 N ATOM 602 CA MET A 57 -2.967 -5.630 -11.087 1.00 0.00 C ATOM 603 C MET A 57 -2.613 -4.203 -10.694 1.00 0.00 C ATOM 604 O MET A 57 -1.446 -3.848 -10.545 1.00 0.00 O ATOM 605 CB MET A 57 -3.060 -5.707 -12.613 1.00 0.00 C ATOM 606 CG MET A 57 -4.063 -6.723 -13.128 1.00 0.00 C ATOM 607 SD MET A 57 -5.432 -5.955 -14.022 1.00 0.00 S ATOM 608 CE MET A 57 -6.370 -5.233 -12.674 1.00 0.00 C ATOM 0 H MET A 57 -4.961 -6.258 -11.158 1.00 0.00 H new ATOM 0 HA MET A 57 -2.199 -6.317 -10.732 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.327 -4.723 -12.999 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.076 -5.951 -13.013 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.555 -7.429 -13.785 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.458 -7.296 -12.289 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.119 -4.551 -13.076 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.865 -6.024 -12.110 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.697 -4.685 -12.015 1.00 0.00 H new ATOM 618 N ILE A 58 -3.648 -3.397 -10.524 1.00 0.00 N ATOM 619 CA ILE A 58 -3.488 -1.987 -10.235 1.00 0.00 C ATOM 620 C ILE A 58 -3.075 -1.795 -8.776 1.00 0.00 C ATOM 621 O ILE A 58 -2.381 -0.835 -8.444 1.00 0.00 O ATOM 622 CB ILE A 58 -4.784 -1.198 -10.593 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.686 -0.965 -9.383 1.00 0.00 C ATOM 624 CG2 ILE A 58 -5.558 -1.928 -11.681 1.00 0.00 C ATOM 625 CD1 ILE A 58 -5.337 0.293 -8.630 1.00 0.00 C ATOM 0 H ILE A 58 -4.619 -3.703 -10.583 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.691 -1.581 -10.858 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.469 -0.219 -10.954 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.723 -0.910 -9.714 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.611 -1.819 -8.710 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.461 -1.368 -11.923 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.937 -2.017 -12.572 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.831 -2.922 -11.328 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.010 0.407 -7.781 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.309 0.230 -8.272 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.438 1.153 -9.292 1.00 0.00 H new ATOM 637 N ALA A 59 -3.491 -2.721 -7.909 1.00 0.00 N ATOM 638 CA ALA A 59 -3.101 -2.680 -6.502 1.00 0.00 C ATOM 639 C ALA A 59 -1.582 -2.711 -6.382 1.00 0.00 C ATOM 640 O ALA A 59 -0.997 -2.006 -5.561 1.00 0.00 O ATOM 641 CB ALA A 59 -3.708 -3.848 -5.737 1.00 0.00 C ATOM 0 H ALA A 59 -4.095 -3.504 -8.157 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.477 -1.754 -6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.403 -3.796 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.795 -3.799 -5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.361 -4.786 -6.170 1.00 0.00 H new ATOM 647 N THR A 60 -0.958 -3.525 -7.223 1.00 0.00 N ATOM 648 CA THR A 60 0.490 -3.645 -7.262 1.00 0.00 C ATOM 649 C THR A 60 1.146 -2.296 -7.572 1.00 0.00 C ATOM 650 O THR A 60 2.157 -1.931 -6.967 1.00 0.00 O ATOM 651 CB THR A 60 0.903 -4.679 -8.323 1.00 0.00 C ATOM 652 OG1 THR A 60 0.288 -5.946 -8.039 1.00 0.00 O ATOM 653 CG2 THR A 60 2.410 -4.830 -8.365 1.00 0.00 C ATOM 0 H THR A 60 -1.442 -4.119 -7.896 1.00 0.00 H new ATOM 0 HA THR A 60 0.830 -3.975 -6.280 1.00 0.00 H new ATOM 0 HB THR A 60 0.565 -4.328 -9.298 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.554 -6.599 -8.720 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.681 -5.566 -9.122 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.865 -3.871 -8.612 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.770 -5.162 -7.391 1.00 0.00 H new ATOM 661 N ASP A 61 0.556 -1.566 -8.512 1.00 0.00 N ATOM 662 CA ASP A 61 1.021 -0.226 -8.879 1.00 0.00 C ATOM 663 C ASP A 61 1.084 0.668 -7.649 1.00 0.00 C ATOM 664 O ASP A 61 2.045 1.413 -7.441 1.00 0.00 O ATOM 665 CB ASP A 61 0.062 0.405 -9.893 1.00 0.00 C ATOM 666 CG ASP A 61 0.769 1.335 -10.857 1.00 0.00 C ATOM 667 OD1 ASP A 61 1.598 0.848 -11.655 1.00 0.00 O ATOM 668 OD2 ASP A 61 0.488 2.551 -10.834 1.00 0.00 O ATOM 0 H ASP A 61 -0.256 -1.882 -9.042 1.00 0.00 H new ATOM 0 HA ASP A 61 2.015 -0.319 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.439 -0.384 -10.455 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.712 0.958 -9.361 1.00 0.00 H new ATOM 673 N LEU A 62 0.044 0.569 -6.837 1.00 0.00 N ATOM 674 CA LEU A 62 -0.090 1.369 -5.627 1.00 0.00 C ATOM 675 C LEU A 62 0.932 0.937 -4.583 1.00 0.00 C ATOM 676 O LEU A 62 1.496 1.763 -3.868 1.00 0.00 O ATOM 677 CB LEU A 62 -1.504 1.212 -5.061 1.00 0.00 C ATOM 678 CG LEU A 62 -2.627 1.204 -6.099 1.00 0.00 C ATOM 679 CD1 LEU A 62 -3.978 1.136 -5.411 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.544 2.420 -7.010 1.00 0.00 C ATOM 0 H LEU A 62 -0.734 -0.070 -6.998 1.00 0.00 H new ATOM 0 HA LEU A 62 0.090 2.414 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.549 0.282 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.688 2.024 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.509 0.317 -6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.769 1.131 -6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.037 0.225 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.100 2.003 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.355 2.386 -7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.629 3.328 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.588 2.418 -7.533 1.00 0.00 H new ATOM 692 N ARG A 63 1.166 -0.368 -4.512 1.00 0.00 N ATOM 693 CA ARG A 63 2.124 -0.939 -3.572 1.00 0.00 C ATOM 694 C ARG A 63 3.516 -0.347 -3.787 1.00 0.00 C ATOM 695 O ARG A 63 4.290 -0.193 -2.843 1.00 0.00 O ATOM 696 CB ARG A 63 2.151 -2.462 -3.730 1.00 0.00 C ATOM 697 CG ARG A 63 0.826 -3.122 -3.397 1.00 0.00 C ATOM 698 CD ARG A 63 0.902 -3.891 -2.095 1.00 0.00 C ATOM 699 NE ARG A 63 1.553 -5.188 -2.268 1.00 0.00 N ATOM 700 CZ ARG A 63 1.430 -6.198 -1.417 1.00 0.00 C ATOM 701 NH1 ARG A 63 0.747 -6.043 -0.292 1.00 0.00 N ATOM 702 NH2 ARG A 63 2.006 -7.362 -1.682 1.00 0.00 N ATOM 0 H ARG A 63 0.700 -1.058 -5.101 1.00 0.00 H new ATOM 0 HA ARG A 63 1.813 -0.693 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.425 -2.709 -4.756 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.927 -2.874 -3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.047 -2.363 -3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.542 -3.797 -4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.450 -3.304 -1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.103 -4.039 -1.701 1.00 0.00 H new ATOM 0 HE ARG A 63 2.137 -5.325 -3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.314 -5.145 -0.078 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.655 -6.822 0.360 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.544 -7.481 -2.540 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.911 -8.139 -1.028 1.00 0.00 H new ATOM 716 N GLN A 64 3.817 -0.001 -5.031 1.00 0.00 N ATOM 717 CA GLN A 64 5.085 0.636 -5.364 1.00 0.00 C ATOM 718 C GLN A 64 5.174 2.028 -4.749 1.00 0.00 C ATOM 719 O GLN A 64 6.232 2.431 -4.272 1.00 0.00 O ATOM 720 CB GLN A 64 5.249 0.711 -6.879 1.00 0.00 C ATOM 721 CG GLN A 64 5.173 -0.649 -7.555 1.00 0.00 C ATOM 722 CD GLN A 64 5.224 -0.566 -9.068 1.00 0.00 C ATOM 723 OE1 GLN A 64 4.700 0.518 -9.621 1.00 0.00 O flip ATOM 724 NE2 GLN A 64 5.715 -1.479 -9.737 1.00 0.00 N flip ATOM 0 H GLN A 64 3.199 -0.151 -5.829 1.00 0.00 H new ATOM 0 HA GLN A 64 5.893 0.033 -4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.475 1.359 -7.291 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.208 1.173 -7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.997 -1.269 -7.203 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.250 -1.146 -7.255 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.108 -2.297 -9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.727 -1.416 -10.755 1.00 0.00 H new ATOM 733 N LYS A 65 4.057 2.754 -4.748 1.00 0.00 N ATOM 734 CA LYS A 65 4.004 4.073 -4.125 1.00 0.00 C ATOM 735 C LYS A 65 4.305 3.960 -2.639 1.00 0.00 C ATOM 736 O LYS A 65 5.042 4.771 -2.078 1.00 0.00 O ATOM 737 CB LYS A 65 2.636 4.720 -4.329 1.00 0.00 C ATOM 738 CG LYS A 65 2.490 6.084 -3.660 1.00 0.00 C ATOM 739 CD LYS A 65 3.159 7.192 -4.462 1.00 0.00 C ATOM 740 CE LYS A 65 4.608 7.335 -4.060 1.00 0.00 C ATOM 741 NZ LYS A 65 5.392 8.177 -4.994 1.00 0.00 N ATOM 0 H LYS A 65 3.180 2.451 -5.171 1.00 0.00 H new ATOM 0 HA LYS A 65 4.756 4.703 -4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.453 4.829 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.868 4.052 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.432 6.315 -3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.926 6.046 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.091 6.970 -5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.636 8.134 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.660 7.767 -3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.062 6.346 -4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.136 8.679 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.828 7.575 -5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.763 8.869 -5.449 1.00 0.00 H new ATOM 755 N VAL A 66 3.730 2.940 -2.017 1.00 0.00 N ATOM 756 CA VAL A 66 3.976 2.644 -0.616 1.00 0.00 C ATOM 757 C VAL A 66 5.475 2.495 -0.345 1.00 0.00 C ATOM 758 O VAL A 66 5.983 2.984 0.664 1.00 0.00 O ATOM 759 CB VAL A 66 3.222 1.366 -0.190 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.623 0.948 1.208 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.722 1.596 -0.263 1.00 0.00 C ATOM 0 H VAL A 66 3.081 2.296 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 66 3.603 3.480 -0.024 1.00 0.00 H new ATOM 0 HB VAL A 66 3.489 0.562 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.080 0.045 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.694 0.750 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.384 1.747 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.200 0.688 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.446 2.413 0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.442 1.852 -1.285 1.00 0.00 H new ATOM 771 N TYR A 67 6.181 1.851 -1.267 1.00 0.00 N ATOM 772 CA TYR A 67 7.618 1.650 -1.120 1.00 0.00 C ATOM 773 C TYR A 67 8.377 2.965 -1.309 1.00 0.00 C ATOM 774 O TYR A 67 9.268 3.291 -0.522 1.00 0.00 O ATOM 775 CB TYR A 67 8.118 0.602 -2.120 1.00 0.00 C ATOM 776 CG TYR A 67 9.564 0.197 -1.910 1.00 0.00 C ATOM 777 CD1 TYR A 67 9.916 -0.727 -0.932 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.576 0.747 -2.688 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.237 -1.091 -0.736 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.896 0.385 -2.500 1.00 0.00 C ATOM 781 CZ TYR A 67 12.215 -0.557 -1.525 1.00 0.00 C ATOM 782 OH TYR A 67 13.539 -0.882 -1.327 1.00 0.00 O ATOM 0 H TYR A 67 5.784 1.460 -2.121 1.00 0.00 H new ATOM 0 HA TYR A 67 7.806 1.289 -0.109 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.488 -0.285 -2.048 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.003 0.994 -3.131 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.146 -1.168 -0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.327 1.469 -3.452 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.494 -1.797 0.040 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.674 0.829 -3.104 1.00 0.00 H new ATOM 0 HH TYR A 67 13.603 -1.612 -0.676 1.00 0.00 H new ATOM 792 N GLU A 68 8.024 3.713 -2.352 1.00 0.00 N ATOM 793 CA GLU A 68 8.667 4.999 -2.627 1.00 0.00 C ATOM 794 C GLU A 68 8.533 5.945 -1.433 1.00 0.00 C ATOM 795 O GLU A 68 9.517 6.512 -0.961 1.00 0.00 O ATOM 796 CB GLU A 68 8.050 5.653 -3.867 1.00 0.00 C ATOM 797 CG GLU A 68 8.020 4.757 -5.091 1.00 0.00 C ATOM 798 CD GLU A 68 7.474 5.468 -6.315 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.295 5.884 -6.294 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.226 5.636 -7.300 1.00 0.00 O ATOM 0 H GLU A 68 7.298 3.453 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 68 9.725 4.809 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.032 5.963 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.611 6.556 -4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.028 4.400 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.408 3.880 -4.881 1.00 0.00 H new ATOM 807 N LEU A 69 7.309 6.072 -0.935 1.00 0.00 N ATOM 808 CA LEU A 69 6.991 6.967 0.177 1.00 0.00 C ATOM 809 C LEU A 69 7.819 6.644 1.424 1.00 0.00 C ATOM 810 O LEU A 69 8.111 7.533 2.228 1.00 0.00 O ATOM 811 CB LEU A 69 5.501 6.872 0.480 1.00 0.00 C ATOM 812 CG LEU A 69 4.588 7.447 -0.604 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.136 7.257 -0.225 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.872 8.922 -0.815 1.00 0.00 C ATOM 0 H LEU A 69 6.504 5.556 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 69 7.244 7.986 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.242 5.825 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.301 7.392 1.417 1.00 0.00 H new ATOM 0 HG LEU A 69 4.787 6.913 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.499 7.671 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.926 6.194 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.936 7.769 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.212 9.312 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.699 9.463 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.910 9.052 -1.122 1.00 0.00 H new ATOM 826 N MET A 70 8.207 5.382 1.574 1.00 0.00 N ATOM 827 CA MET A 70 9.047 4.969 2.698 1.00 0.00 C ATOM 828 C MET A 70 10.354 5.752 2.706 1.00 0.00 C ATOM 829 O MET A 70 10.758 6.291 3.738 1.00 0.00 O ATOM 830 CB MET A 70 9.370 3.474 2.634 1.00 0.00 C ATOM 831 CG MET A 70 8.168 2.569 2.825 1.00 0.00 C ATOM 832 SD MET A 70 8.601 0.821 2.763 1.00 0.00 S ATOM 833 CE MET A 70 6.979 0.096 2.948 1.00 0.00 C ATOM 0 H MET A 70 7.955 4.628 0.935 1.00 0.00 H new ATOM 0 HA MET A 70 8.487 5.173 3.610 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.827 3.254 1.669 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.111 3.241 3.398 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.700 2.790 3.784 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.429 2.784 2.053 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.017 -0.957 2.669 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.657 0.185 3.985 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.272 0.617 2.303 1.00 0.00 H new ATOM 843 N GLN A 71 11.007 5.828 1.551 1.00 0.00 N ATOM 844 CA GLN A 71 12.278 6.532 1.450 1.00 0.00 C ATOM 845 C GLN A 71 12.061 8.014 1.159 1.00 0.00 C ATOM 846 O GLN A 71 12.970 8.824 1.336 1.00 0.00 O ATOM 847 CB GLN A 71 13.172 5.890 0.387 1.00 0.00 C ATOM 848 CG GLN A 71 12.468 5.623 -0.930 1.00 0.00 C ATOM 849 CD GLN A 71 13.426 5.180 -2.016 1.00 0.00 C ATOM 850 OE1 GLN A 71 13.672 3.988 -2.196 1.00 0.00 O ATOM 851 NE2 GLN A 71 13.987 6.134 -2.739 1.00 0.00 N ATOM 0 H GLN A 71 10.679 5.414 0.678 1.00 0.00 H new ATOM 0 HA GLN A 71 12.785 6.451 2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.027 6.541 0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.564 4.950 0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.708 4.855 -0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.950 6.527 -1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.758 7.112 -2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.649 5.893 -3.476 1.00 0.00 H new ATOM 860 N GLU A 72 10.857 8.374 0.717 1.00 0.00 N ATOM 861 CA GLU A 72 10.508 9.780 0.555 1.00 0.00 C ATOM 862 C GLU A 72 10.480 10.457 1.919 1.00 0.00 C ATOM 863 O GLU A 72 10.781 11.642 2.045 1.00 0.00 O ATOM 864 CB GLU A 72 9.155 9.957 -0.143 1.00 0.00 C ATOM 865 CG GLU A 72 9.115 9.422 -1.567 1.00 0.00 C ATOM 866 CD GLU A 72 7.881 9.869 -2.334 1.00 0.00 C ATOM 867 OE1 GLU A 72 7.444 11.022 -2.134 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.350 9.072 -3.147 1.00 0.00 O ATOM 0 H GLU A 72 10.116 7.719 0.468 1.00 0.00 H new ATOM 0 HA GLU A 72 11.266 10.243 -0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.387 9.454 0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.902 11.017 -0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.007 9.753 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.145 8.333 -1.541 1.00 0.00 H new ATOM 875 N GLY A 73 10.116 9.688 2.939 1.00 0.00 N ATOM 876 CA GLY A 73 10.148 10.194 4.292 1.00 0.00 C ATOM 877 C GLY A 73 8.763 10.383 4.852 1.00 0.00 C ATOM 878 O GLY A 73 8.532 11.253 5.690 1.00 0.00 O ATOM 0 H GLY A 73 9.799 8.723 2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.705 9.503 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.681 11.145 4.312 1.00 0.00 H new ATOM 882 N LYS A 74 7.838 9.564 4.386 1.00 0.00 N ATOM 883 CA LYS A 74 6.453 9.674 4.793 1.00 0.00 C ATOM 884 C LYS A 74 6.208 8.865 6.063 1.00 0.00 C ATOM 885 O LYS A 74 6.989 7.980 6.417 1.00 0.00 O ATOM 886 CB LYS A 74 5.540 9.168 3.674 1.00 0.00 C ATOM 887 CG LYS A 74 5.931 9.674 2.293 1.00 0.00 C ATOM 888 CD LYS A 74 5.588 11.138 2.121 1.00 0.00 C ATOM 889 CE LYS A 74 6.333 11.759 0.961 1.00 0.00 C ATOM 890 NZ LYS A 74 6.172 13.239 0.936 1.00 0.00 N ATOM 0 H LYS A 74 8.024 8.812 3.722 1.00 0.00 H new ATOM 0 HA LYS A 74 6.230 10.722 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.554 8.078 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.515 9.473 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.001 9.530 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.418 9.087 1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.515 11.243 1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.828 11.677 3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.392 11.509 1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.967 11.337 0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.696 13.632 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.164 13.477 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.544 13.644 1.819 1.00 0.00 H new ATOM 904 N SER A 75 5.125 9.183 6.745 1.00 0.00 N ATOM 905 CA SER A 75 4.711 8.450 7.931 1.00 0.00 C ATOM 906 C SER A 75 3.670 7.415 7.538 1.00 0.00 C ATOM 907 O SER A 75 3.182 7.444 6.416 1.00 0.00 O ATOM 908 CB SER A 75 4.163 9.422 8.972 1.00 0.00 C ATOM 909 OG SER A 75 5.132 10.408 9.286 1.00 0.00 O ATOM 0 H SER A 75 4.507 9.955 6.495 1.00 0.00 H new ATOM 0 HA SER A 75 5.564 7.934 8.371 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.259 9.899 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.882 8.878 9.874 1.00 0.00 H new ATOM 0 HG SER A 75 4.766 11.025 9.953 1.00 0.00 H new ATOM 915 N LYS A 76 3.329 6.515 8.448 1.00 0.00 N ATOM 916 CA LYS A 76 2.447 5.396 8.121 1.00 0.00 C ATOM 917 C LYS A 76 1.142 5.869 7.487 1.00 0.00 C ATOM 918 O LYS A 76 0.816 5.491 6.361 1.00 0.00 O ATOM 919 CB LYS A 76 2.171 4.546 9.360 1.00 0.00 C ATOM 920 CG LYS A 76 3.129 3.370 9.537 1.00 0.00 C ATOM 921 CD LYS A 76 4.569 3.799 9.811 1.00 0.00 C ATOM 922 CE LYS A 76 5.328 4.147 8.538 1.00 0.00 C ATOM 923 NZ LYS A 76 6.738 4.515 8.825 1.00 0.00 N ATOM 0 H LYS A 76 3.647 6.534 9.417 1.00 0.00 H new ATOM 0 HA LYS A 76 2.961 4.779 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.227 5.182 10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.151 4.165 9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.780 2.747 10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.106 2.753 8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.567 4.663 10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.090 2.996 10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.305 3.297 7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.831 4.975 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.225 4.746 7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.760 5.341 9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.219 3.716 9.285 1.00 0.00 H new ATOM 937 N LYS A 77 0.411 6.712 8.195 1.00 0.00 N ATOM 938 CA LYS A 77 -0.848 7.239 7.674 1.00 0.00 C ATOM 939 C LYS A 77 -0.573 8.178 6.517 1.00 0.00 C ATOM 940 O LYS A 77 -1.365 8.295 5.592 1.00 0.00 O ATOM 941 CB LYS A 77 -1.633 7.963 8.763 1.00 0.00 C ATOM 942 CG LYS A 77 -1.750 7.164 10.045 1.00 0.00 C ATOM 943 CD LYS A 77 -2.233 5.745 9.777 1.00 0.00 C ATOM 944 CE LYS A 77 -2.623 5.022 11.056 1.00 0.00 C ATOM 945 NZ LYS A 77 -3.978 5.421 11.521 1.00 0.00 N ATOM 0 H LYS A 77 0.661 7.047 9.125 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.451 6.402 7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.149 8.915 8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.632 8.190 8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.782 7.131 10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.442 7.663 10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.089 5.775 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.447 5.185 9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.598 3.945 10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.892 5.240 11.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.350 4.697 12.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.920 6.333 12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.613 5.513 10.702 1.00 0.00 H new ATOM 959 N GLU A 78 0.559 8.843 6.593 1.00 0.00 N ATOM 960 CA GLU A 78 0.999 9.749 5.539 1.00 0.00 C ATOM 961 C GLU A 78 1.159 9.019 4.203 1.00 0.00 C ATOM 962 O GLU A 78 0.812 9.561 3.160 1.00 0.00 O ATOM 963 CB GLU A 78 2.314 10.412 5.941 1.00 0.00 C ATOM 964 CG GLU A 78 2.856 11.392 4.920 1.00 0.00 C ATOM 965 CD GLU A 78 1.920 12.557 4.689 1.00 0.00 C ATOM 966 OE1 GLU A 78 1.315 13.047 5.662 1.00 0.00 O ATOM 967 OE2 GLU A 78 1.767 12.975 3.522 1.00 0.00 O ATOM 0 H GLU A 78 1.203 8.776 7.381 1.00 0.00 H new ATOM 0 HA GLU A 78 0.234 10.514 5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.170 10.934 6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.060 9.637 6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.823 11.767 5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.026 10.873 3.977 1.00 0.00 H new ATOM 974 N ILE A 79 1.692 7.797 4.233 1.00 0.00 N ATOM 975 CA ILE A 79 1.831 7.005 3.013 1.00 0.00 C ATOM 976 C ILE A 79 0.462 6.750 2.378 1.00 0.00 C ATOM 977 O ILE A 79 0.251 7.040 1.199 1.00 0.00 O ATOM 978 CB ILE A 79 2.552 5.645 3.255 1.00 0.00 C ATOM 979 CG1 ILE A 79 4.075 5.793 3.164 1.00 0.00 C ATOM 980 CG2 ILE A 79 2.089 4.606 2.243 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.799 5.786 4.495 1.00 0.00 C ATOM 0 H ILE A 79 2.031 7.339 5.079 1.00 0.00 H new ATOM 0 HA ILE A 79 2.452 7.591 2.335 1.00 0.00 H new ATOM 0 HB ILE A 79 2.292 5.317 4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.468 4.983 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.304 6.725 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.604 3.663 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.014 4.458 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.318 4.952 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.870 5.896 4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.441 6.613 5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.607 4.844 5.009 1.00 0.00 H new ATOM 993 N VAL A 80 -0.470 6.231 3.163 1.00 0.00 N ATOM 994 CA VAL A 80 -1.795 5.927 2.650 1.00 0.00 C ATOM 995 C VAL A 80 -2.543 7.210 2.290 1.00 0.00 C ATOM 996 O VAL A 80 -3.262 7.258 1.291 1.00 0.00 O ATOM 997 CB VAL A 80 -2.617 5.055 3.634 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.491 5.545 5.061 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.075 5.022 3.225 1.00 0.00 C ATOM 0 H VAL A 80 -0.334 6.013 4.150 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.665 5.339 1.741 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.209 4.045 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.082 4.907 5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.445 5.511 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.855 6.570 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.636 4.405 3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.477 6.035 3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.162 4.602 2.223 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.344 8.255 3.083 1.00 0.00 N ATOM 1010 CA ASP A 81 -2.937 9.558 2.796 1.00 0.00 C ATOM 1011 C ASP A 81 -2.383 10.114 1.494 1.00 0.00 C ATOM 1012 O ASP A 81 -3.110 10.680 0.684 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.666 10.538 3.937 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.163 11.939 3.643 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.367 12.210 3.849 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.359 12.768 3.177 1.00 0.00 O ATOM 0 H ASP A 81 -1.777 8.227 3.930 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.015 9.428 2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.145 10.171 4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.594 10.572 4.133 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.088 9.934 1.299 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.430 10.326 0.066 1.00 0.00 C ATOM 1023 C TYR A 82 -1.116 9.649 -1.105 1.00 0.00 C ATOM 1024 O TYR A 82 -1.417 10.278 -2.119 1.00 0.00 O ATOM 1025 CB TYR A 82 1.041 9.919 0.097 1.00 0.00 C ATOM 1026 CG TYR A 82 1.907 10.701 -0.863 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.884 10.447 -2.228 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.738 11.702 -0.399 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.670 11.177 -3.102 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.525 12.442 -1.263 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.513 12.108 -2.646 1.00 0.00 C ATOM 1032 OH TYR A 82 4.266 12.906 -3.484 1.00 0.00 O ATOM 0 H TYR A 82 -0.465 9.513 1.989 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.494 11.409 -0.042 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.424 10.051 1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.120 8.858 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.243 9.668 -2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.774 11.911 0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.601 10.992 -4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.135 13.255 -0.896 1.00 0.00 H new ATOM 0 HH TYR A 82 4.813 13.518 -2.949 1.00 0.00 H new ATOM 1042 N MET A 83 -1.377 8.362 -0.943 1.00 0.00 N ATOM 1043 CA MET A 83 -2.030 7.584 -1.974 1.00 0.00 C ATOM 1044 C MET A 83 -3.456 8.069 -2.203 1.00 0.00 C ATOM 1045 O MET A 83 -3.855 8.281 -3.336 1.00 0.00 O ATOM 1046 CB MET A 83 -2.030 6.092 -1.623 1.00 0.00 C ATOM 1047 CG MET A 83 -0.642 5.472 -1.555 1.00 0.00 C ATOM 1048 SD MET A 83 -0.523 3.938 -2.489 1.00 0.00 S ATOM 1049 CE MET A 83 -1.032 4.493 -4.111 1.00 0.00 C ATOM 0 H MET A 83 -1.144 7.835 -0.101 1.00 0.00 H new ATOM 0 HA MET A 83 -1.465 7.721 -2.896 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.525 5.955 -0.662 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.621 5.555 -2.365 1.00 0.00 H new ATOM 0 HG2 MET A 83 0.089 6.184 -1.938 1.00 0.00 H new ATOM 0 HG3 MET A 83 -0.384 5.280 -0.513 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.853 3.871 -4.468 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.362 5.530 -4.054 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.192 4.417 -4.802 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.220 8.271 -1.133 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.629 8.640 -1.273 1.00 0.00 C ATOM 1061 C VAL A 84 -5.790 10.074 -1.774 1.00 0.00 C ATOM 1062 O VAL A 84 -6.769 10.405 -2.442 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.430 8.452 0.041 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.391 7.005 0.477 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -5.902 9.338 1.158 1.00 0.00 C ATOM 0 H VAL A 84 -3.894 8.187 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.041 7.957 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.460 8.745 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -6.957 6.888 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.830 6.379 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.357 6.703 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.491 9.175 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.859 9.091 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.977 10.384 0.859 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.829 10.917 -1.435 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.844 12.311 -1.846 1.00 0.00 C ATOM 1077 C ALA A 85 -4.607 12.450 -3.351 1.00 0.00 C ATOM 1078 O ALA A 85 -5.249 13.264 -4.019 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.790 13.077 -1.061 1.00 0.00 C ATOM 0 H ALA A 85 -4.021 10.656 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.828 12.729 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.798 14.123 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.009 13.008 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.807 12.649 -1.258 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.684 11.659 -3.885 1.00 0.00 N ATOM 1086 CA ARG A 86 -3.346 11.739 -5.306 1.00 0.00 C ATOM 1087 C ARG A 86 -4.076 10.663 -6.105 1.00 0.00 C ATOM 1088 O ARG A 86 -4.776 10.956 -7.074 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.833 11.603 -5.519 1.00 0.00 C ATOM 1090 CG ARG A 86 -1.023 12.813 -5.073 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.920 12.874 -3.563 1.00 0.00 C ATOM 1092 NE ARG A 86 -0.138 14.011 -3.091 1.00 0.00 N ATOM 1093 CZ ARG A 86 0.128 14.242 -1.808 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -0.393 13.458 -0.870 1.00 0.00 N ATOM 1095 NH2 ARG A 86 0.903 15.258 -1.463 1.00 0.00 N ATOM 0 H ARG A 86 -3.158 10.959 -3.362 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.666 12.718 -5.663 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.480 10.725 -4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.642 11.423 -6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.024 12.766 -5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.490 13.725 -5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.922 12.928 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.468 11.952 -3.198 1.00 0.00 H new ATOM 0 HE ARG A 86 0.225 14.666 -3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.997 12.679 -1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.189 13.635 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.297 15.865 -2.181 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.106 15.434 -0.479 1.00 0.00 H new ATOM 1109 N TYR A 87 -3.930 9.424 -5.670 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.465 8.270 -6.384 1.00 0.00 C ATOM 1111 C TYR A 87 -5.843 7.897 -5.851 1.00 0.00 C ATOM 1112 O TYR A 87 -6.247 6.738 -5.893 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.509 7.084 -6.230 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.092 7.372 -6.693 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -1.818 7.631 -8.027 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.031 7.388 -5.791 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.531 7.895 -8.453 1.00 0.00 C ATOM 1118 CE2 TYR A 87 0.263 7.652 -6.210 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.506 7.905 -7.542 1.00 0.00 C ATOM 1120 OH TYR A 87 1.789 8.169 -7.968 1.00 0.00 O ATOM 0 H TYR A 87 -3.436 9.185 -4.810 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.563 8.526 -7.439 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.484 6.783 -5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.901 6.238 -6.795 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.625 7.626 -8.745 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.220 7.191 -4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.336 8.093 -9.497 1.00 0.00 H new ATOM 0 HE2 TYR A 87 1.075 7.659 -5.498 1.00 0.00 H new ATOM 0 HH TYR A 87 2.400 8.139 -7.203 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.576 8.896 -5.382 1.00 0.00 N ATOM 1131 CA GLY A 88 -7.828 8.649 -4.690 1.00 0.00 C ATOM 1132 C GLY A 88 -8.953 8.164 -5.589 1.00 0.00 C ATOM 1133 O GLY A 88 -10.086 8.021 -5.137 1.00 0.00 O ATOM 0 H GLY A 88 -6.325 9.881 -5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.658 7.908 -3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.144 9.568 -4.195 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.658 7.913 -6.855 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.664 7.381 -7.763 1.00 0.00 C ATOM 1139 C ASN A 89 -9.692 5.866 -7.680 1.00 0.00 C ATOM 1140 O ASN A 89 -10.728 5.234 -7.886 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.399 7.823 -9.205 1.00 0.00 C ATOM 1142 CG ASN A 89 -9.438 9.330 -9.372 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -8.407 10.000 -9.310 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -10.627 9.871 -9.566 1.00 0.00 N ATOM 0 H ASN A 89 -7.741 8.067 -7.274 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.634 7.776 -7.461 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.424 7.452 -9.521 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.141 7.369 -9.862 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.716 10.882 -9.671 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.456 9.278 -9.611 1.00 0.00 H new ATOM 1151 N PHE A 90 -8.548 5.301 -7.349 1.00 0.00 N ATOM 1152 CA PHE A 90 -8.394 3.853 -7.268 1.00 0.00 C ATOM 1153 C PHE A 90 -8.176 3.416 -5.831 1.00 0.00 C ATOM 1154 O PHE A 90 -8.440 2.271 -5.470 1.00 0.00 O ATOM 1155 CB PHE A 90 -7.216 3.385 -8.122 1.00 0.00 C ATOM 1156 CG PHE A 90 -7.335 3.755 -9.570 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -8.008 2.933 -10.459 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -6.773 4.928 -10.041 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -8.118 3.275 -11.792 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -6.878 5.275 -11.375 1.00 0.00 C ATOM 1161 CZ PHE A 90 -7.551 4.448 -12.251 1.00 0.00 C ATOM 0 H PHE A 90 -7.701 5.825 -7.129 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.311 3.401 -7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.297 3.812 -7.722 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.127 2.302 -8.039 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.452 2.014 -10.105 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.247 5.580 -9.359 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.647 2.626 -12.475 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.434 6.193 -11.731 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.634 4.717 -13.294 1.00 0.00 H new ATOM 1171 N VAL A 91 -7.690 4.333 -5.009 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.357 4.014 -3.634 1.00 0.00 C ATOM 1173 C VAL A 91 -8.285 4.767 -2.681 1.00 0.00 C ATOM 1174 O VAL A 91 -8.856 5.795 -3.047 1.00 0.00 O ATOM 1175 CB VAL A 91 -5.880 4.366 -3.315 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.021 4.349 -4.570 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -5.772 5.716 -2.643 1.00 0.00 C ATOM 0 H VAL A 91 -7.518 5.303 -5.272 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.489 2.941 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.512 3.602 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.993 4.600 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.050 3.356 -5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.404 5.079 -5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.725 5.935 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.177 6.484 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.335 5.704 -1.710 1.00 0.00 H new ATOM 1187 N THR A 92 -8.446 4.253 -1.470 1.00 0.00 N ATOM 1188 CA THR A 92 -9.246 4.927 -0.455 1.00 0.00 C ATOM 1189 C THR A 92 -8.796 4.514 0.949 1.00 0.00 C ATOM 1190 O THR A 92 -8.482 3.349 1.186 1.00 0.00 O ATOM 1191 CB THR A 92 -10.753 4.624 -0.640 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.207 5.117 -1.912 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.584 5.248 0.469 1.00 0.00 C ATOM 0 H THR A 92 -8.034 3.371 -1.165 1.00 0.00 H new ATOM 0 HA THR A 92 -9.095 6.000 -0.572 1.00 0.00 H new ATOM 0 HB THR A 92 -10.879 3.542 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.515 5.687 -2.308 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.637 5.016 0.309 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.266 4.847 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.446 6.329 0.463 1.00 0.00 H new ATOM 1201 N TYR A 93 -8.741 5.475 1.866 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.310 5.200 3.227 1.00 0.00 C ATOM 1203 C TYR A 93 -9.503 4.822 4.096 1.00 0.00 C ATOM 1204 O TYR A 93 -10.315 5.671 4.465 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.569 6.413 3.811 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.111 6.219 5.244 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.756 4.960 5.706 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -7.028 7.290 6.129 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -6.335 4.767 7.002 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -6.603 7.101 7.433 1.00 0.00 C ATOM 1211 CZ TYR A 93 -6.261 5.836 7.862 1.00 0.00 C ATOM 1212 OH TYR A 93 -5.834 5.633 9.155 1.00 0.00 O ATOM 0 H TYR A 93 -8.990 6.448 1.689 1.00 0.00 H new ATOM 0 HA TYR A 93 -7.620 4.356 3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.701 6.631 3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.223 7.284 3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.811 4.115 5.036 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.298 8.281 5.794 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.064 3.778 7.342 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.540 7.940 8.110 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.874 4.677 9.366 1.00 0.00 H new ATOM 1222 N ASP A 94 -9.583 3.540 4.422 1.00 0.00 N ATOM 1223 CA ASP A 94 -10.698 2.986 5.180 1.00 0.00 C ATOM 1224 C ASP A 94 -10.274 1.682 5.847 1.00 0.00 C ATOM 1225 O ASP A 94 -9.258 1.097 5.466 1.00 0.00 O ATOM 1226 CB ASP A 94 -11.903 2.720 4.268 1.00 0.00 C ATOM 1227 CG ASP A 94 -12.883 3.873 4.206 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -13.617 4.088 5.189 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -12.903 4.593 3.185 1.00 0.00 O ATOM 0 H ASP A 94 -8.875 2.852 4.168 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.987 3.713 5.939 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.545 2.504 3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -12.424 1.830 4.619 1.00 0.00 H new ATOM 1234 N PRO A 95 -11.013 1.228 6.874 1.00 0.00 N ATOM 1235 CA PRO A 95 -10.812 -0.105 7.470 1.00 0.00 C ATOM 1236 C PRO A 95 -11.070 -1.217 6.438 1.00 0.00 C ATOM 1237 O PRO A 95 -11.321 -0.924 5.273 1.00 0.00 O ATOM 1238 CB PRO A 95 -11.848 -0.143 8.605 1.00 0.00 C ATOM 1239 CG PRO A 95 -12.858 0.890 8.244 1.00 0.00 C ATOM 1240 CD PRO A 95 -12.094 1.971 7.540 1.00 0.00 C ATOM 0 HA PRO A 95 -9.793 -0.269 7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.305 -1.129 8.688 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.386 0.077 9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.632 0.473 7.599 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.357 1.277 9.132 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.718 2.506 6.824 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.705 2.711 8.239 1.00 0.00 H new