USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 642 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 94 GLN : amide:sc= -0.193 X(o=-3.1,f=-3) USER MOD Set 1.2: A 95 ASN : amide:sc= -2.95! C(o=-3.1!,f=-9.4!) USER MOD Set 2.1: A 43 ASN : amide:sc= -3.32! C(o=-1.2!,f=-5.1!) USER MOD Set 2.2: A 59 SER OG : rot 55:sc= 2.22 USER MOD Set 2.3: A 73 CYS SG : rot 180:sc= -0.0742 USER MOD Set 3.1: A 54 ASN :FLIP amide:sc= 0.614 F(o=-0.87,f=1.1) USER MOD Set 3.2: A 57 HIS : no HD1:sc= 0.532 K(o=1.1,f=-2) USER MOD Set 4.1: A 39 THR OG1 : rot -124:sc= 1.21 USER MOD Set 4.2: A 40 CYS SG : rot -167:sc= 1.63 USER MOD Set 5.1: A 14 ASN : amide:sc= 0.96 K(o=1.7,f=0.92) USER MOD Set 5.2: A 18 THR OG1 : rot -120:sc= 0.755 USER MOD Set 6.1: A 7 SER OG : rot 14:sc= 0.938 USER MOD Set 6.2: A 23 CYS SG : rot 70:sc= -1.73! USER MOD Single : A 2 SER OG : rot 32:sc= -2.52! USER MOD Single : A 3 TYR OH : rot 24:sc= 0.348 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc=-0.000511 K(o=-0.00051,f=-0.6) USER MOD Single : A 13 THR OG1 : rot 163:sc= 1.27 USER MOD Single : A 25 ASN : amide:sc= -2.09! C(o=-2.1!,f=-12!) USER MOD Single : A 29 ASN : amide:sc= 0.291 K(o=0.29,f=-6.8!) USER MOD Single : A 32 THR OG1 : rot -70:sc= 1.25 USER MOD Single : A 33 SER OG : rot 143:sc= 1.25 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 52 MET CE :methyl -151:sc= -3.5! (180deg=-6.03!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= -0.0101 (180deg=-0.158) USER MOD Single : A 70 LYS NZ :NH3+ -139:sc= 1.18 (180deg=0.239) USER MOD Single : A 72 THR OG1 : rot 170:sc= -0.212 USER MOD Single : A 76 LYS NZ :NH3+ 141:sc= 1.2 (180deg=0.757) USER MOD Single : A 77 THR OG1 : rot 170:sc= 0.00049 USER MOD Single : A 86 GLN :FLIP amide:sc= 0.0284 F(o=-1.4,f=0.028) USER MOD Single : A 91 ASN :FLIP amide:sc=-0.00365 F(o=-1.4,f=-0.0037) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 2.284 12.489 -1.026 1.00 0.00 N ATOM 17 CA SER A 2 2.487 11.163 -0.472 1.00 0.00 C ATOM 18 C SER A 2 3.971 10.831 -0.443 1.00 0.00 C ATOM 19 O SER A 2 4.796 11.638 -0.871 1.00 0.00 O ATOM 20 CB SER A 2 1.728 10.126 -1.293 1.00 0.00 C ATOM 21 OG SER A 2 0.391 10.537 -1.519 1.00 0.00 O ATOM 0 HA SER A 2 2.104 11.146 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.232 9.973 -2.248 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.735 9.169 -0.772 1.00 0.00 H new ATOM 0 HG SER A 2 0.354 11.515 -1.573 1.00 0.00 H new ATOM 26 N TYR A 3 4.317 9.657 0.059 1.00 0.00 N ATOM 27 CA TYR A 3 5.712 9.248 0.129 1.00 0.00 C ATOM 28 C TYR A 3 6.357 9.234 -1.256 1.00 0.00 C ATOM 29 O TYR A 3 7.505 9.638 -1.413 1.00 0.00 O ATOM 30 CB TYR A 3 5.846 7.871 0.787 1.00 0.00 C ATOM 31 CG TYR A 3 5.277 6.724 -0.023 1.00 0.00 C ATOM 32 CD1 TYR A 3 3.906 6.573 -0.186 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.113 5.784 -0.614 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.384 5.526 -0.913 1.00 0.00 C ATOM 35 CE2 TYR A 3 5.599 4.732 -1.347 1.00 0.00 C ATOM 36 CZ TYR A 3 4.234 4.607 -1.490 1.00 0.00 C ATOM 37 OH TYR A 3 3.717 3.559 -2.213 1.00 0.00 O ATOM 0 H TYR A 3 3.655 8.972 0.423 1.00 0.00 H new ATOM 0 HA TYR A 3 6.236 9.981 0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.901 7.675 0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.347 7.896 1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.237 7.290 0.266 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.183 5.878 -0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.315 5.426 -1.030 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.262 4.013 -1.805 1.00 0.00 H new ATOM 0 HH TYR A 3 2.826 3.798 -2.543 1.00 0.00 H new ATOM 46 N ALA A 4 5.594 8.805 -2.259 1.00 0.00 N ATOM 47 CA ALA A 4 6.083 8.718 -3.634 1.00 0.00 C ATOM 48 C ALA A 4 6.581 10.070 -4.153 1.00 0.00 C ATOM 49 O ALA A 4 7.408 10.125 -5.063 1.00 0.00 O ATOM 50 CB ALA A 4 4.990 8.168 -4.542 1.00 0.00 C ATOM 0 H ALA A 4 4.625 8.509 -2.143 1.00 0.00 H new ATOM 0 HA ALA A 4 6.934 8.037 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.363 8.107 -5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.700 7.174 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.124 8.829 -4.511 1.00 0.00 H new ATOM 56 N ASP A 5 6.085 11.155 -3.567 1.00 0.00 N ATOM 57 CA ASP A 5 6.481 12.495 -3.966 1.00 0.00 C ATOM 58 C ASP A 5 7.923 12.799 -3.566 1.00 0.00 C ATOM 59 O ASP A 5 8.523 13.754 -4.061 1.00 0.00 O ATOM 60 CB ASP A 5 5.534 13.515 -3.344 1.00 0.00 C ATOM 61 CG ASP A 5 4.167 13.498 -3.990 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.975 14.202 -5.001 1.00 0.00 O ATOM 63 OD2 ASP A 5 3.281 12.769 -3.497 1.00 0.00 O ATOM 0 H ASP A 5 5.403 11.128 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 5 6.423 12.557 -5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.432 13.310 -2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.965 14.512 -3.437 1.00 0.00 H new ATOM 67 N SER A 6 8.467 11.994 -2.665 1.00 0.00 N ATOM 68 CA SER A 6 9.835 12.154 -2.205 1.00 0.00 C ATOM 69 C SER A 6 10.469 10.777 -2.027 1.00 0.00 C ATOM 70 O SER A 6 11.336 10.574 -1.175 1.00 0.00 O ATOM 71 CB SER A 6 9.861 12.928 -0.885 1.00 0.00 C ATOM 72 OG SER A 6 9.178 14.169 -1.006 1.00 0.00 O ATOM 0 H SER A 6 7.972 11.213 -2.234 1.00 0.00 H new ATOM 0 HA SER A 6 10.403 12.719 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.398 12.330 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.894 13.105 -0.584 1.00 0.00 H new ATOM 0 HG SER A 6 9.208 14.644 -0.149 1.00 0.00 H new ATOM 77 N SER A 7 10.012 9.828 -2.836 1.00 0.00 N ATOM 78 CA SER A 7 10.505 8.466 -2.782 1.00 0.00 C ATOM 79 C SER A 7 10.539 7.865 -4.183 1.00 0.00 C ATOM 80 O SER A 7 9.836 8.328 -5.084 1.00 0.00 O ATOM 81 CB SER A 7 9.620 7.621 -1.860 1.00 0.00 C ATOM 82 OG SER A 7 10.170 6.338 -1.642 1.00 0.00 O ATOM 0 H SER A 7 9.293 9.984 -3.543 1.00 0.00 H new ATOM 0 HA SER A 7 11.519 8.473 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.497 8.132 -0.905 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.627 7.522 -2.299 1.00 0.00 H new ATOM 0 HG SER A 7 11.105 6.329 -1.936 1.00 0.00 H new ATOM 87 N ARG A 8 11.350 6.836 -4.355 1.00 0.00 N ATOM 88 CA ARG A 8 11.488 6.173 -5.644 1.00 0.00 C ATOM 89 C ARG A 8 11.591 4.664 -5.458 1.00 0.00 C ATOM 90 O ARG A 8 11.834 4.193 -4.345 1.00 0.00 O ATOM 91 CB ARG A 8 12.735 6.678 -6.375 1.00 0.00 C ATOM 92 CG ARG A 8 14.033 6.281 -5.705 1.00 0.00 C ATOM 93 CD ARG A 8 15.229 6.636 -6.564 1.00 0.00 C ATOM 94 NE ARG A 8 16.465 6.125 -5.988 1.00 0.00 N ATOM 95 CZ ARG A 8 17.473 5.635 -6.708 1.00 0.00 C ATOM 96 NH1 ARG A 8 17.401 5.608 -8.031 1.00 0.00 N ATOM 97 NH2 ARG A 8 18.554 5.164 -6.101 1.00 0.00 N ATOM 0 H ARG A 8 11.927 6.438 -3.614 1.00 0.00 H new ATOM 0 HA ARG A 8 10.604 6.403 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.729 6.292 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.690 7.765 -6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.114 6.782 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.030 5.209 -5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.095 6.226 -7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.295 7.719 -6.670 1.00 0.00 H new ATOM 0 HE ARG A 8 16.565 6.143 -4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.570 5.964 -8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.176 5.231 -8.576 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.614 5.177 -5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.326 4.789 -6.652 1.00 0.00 H new ATOM 108 N ASN A 9 11.420 3.926 -6.555 1.00 0.00 N ATOM 109 CA ASN A 9 11.506 2.462 -6.546 1.00 0.00 C ATOM 110 C ASN A 9 10.551 1.855 -5.525 1.00 0.00 C ATOM 111 O ASN A 9 10.965 1.088 -4.654 1.00 0.00 O ATOM 112 CB ASN A 9 12.941 2.003 -6.254 1.00 0.00 C ATOM 113 CG ASN A 9 13.922 2.387 -7.346 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.578 2.439 -8.528 1.00 0.00 O ATOM 115 ND2 ASN A 9 15.157 2.667 -6.955 1.00 0.00 N ATOM 0 H ASN A 9 11.219 4.323 -7.473 1.00 0.00 H new ATOM 0 HA ASN A 9 11.216 2.113 -7.537 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.270 2.437 -5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.951 0.920 -6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.861 2.937 -7.642 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.404 2.613 -5.967 1.00 0.00 H new ATOM 121 N ALA A 10 9.277 2.204 -5.632 1.00 0.00 N ATOM 122 CA ALA A 10 8.272 1.689 -4.715 1.00 0.00 C ATOM 123 C ALA A 10 7.831 0.292 -5.133 1.00 0.00 C ATOM 124 O ALA A 10 7.280 0.101 -6.218 1.00 0.00 O ATOM 125 CB ALA A 10 7.080 2.635 -4.655 1.00 0.00 C ATOM 0 H ALA A 10 8.916 2.840 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 10 8.711 1.622 -3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.335 2.238 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.410 3.614 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.641 2.730 -5.648 1.00 0.00 H new ATOM 131 N VAL A 11 8.080 -0.682 -4.271 1.00 0.00 N ATOM 132 CA VAL A 11 7.713 -2.062 -4.547 1.00 0.00 C ATOM 133 C VAL A 11 6.796 -2.604 -3.456 1.00 0.00 C ATOM 134 O VAL A 11 6.632 -1.986 -2.401 1.00 0.00 O ATOM 135 CB VAL A 11 8.955 -2.979 -4.672 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.852 -2.520 -5.813 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.738 -3.030 -3.366 1.00 0.00 C ATOM 0 H VAL A 11 8.537 -0.541 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 11 7.188 -2.064 -5.502 1.00 0.00 H new ATOM 0 HB VAL A 11 8.602 -3.986 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.718 -3.178 -5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.295 -2.553 -6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.186 -1.500 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.604 -3.682 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.073 -2.027 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.099 -3.418 -2.573 1.00 0.00 H new ATOM 147 N LEU A 12 6.216 -3.765 -3.715 1.00 0.00 N ATOM 148 CA LEU A 12 5.309 -4.398 -2.772 1.00 0.00 C ATOM 149 C LEU A 12 5.999 -5.568 -2.093 1.00 0.00 C ATOM 150 O LEU A 12 6.390 -6.534 -2.750 1.00 0.00 O ATOM 151 CB LEU A 12 4.043 -4.900 -3.484 1.00 0.00 C ATOM 152 CG LEU A 12 2.997 -3.839 -3.847 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.600 -3.038 -2.618 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.502 -2.925 -4.954 1.00 0.00 C ATOM 0 H LEU A 12 6.359 -4.291 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 12 5.023 -3.656 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.345 -5.409 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.566 -5.646 -2.848 1.00 0.00 H new ATOM 0 HG LEU A 12 2.111 -4.352 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.857 -2.290 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.179 -3.707 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.479 -2.541 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.739 -2.183 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.409 -2.420 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.720 -3.517 -5.843 1.00 0.00 H new ATOM 165 N THR A 13 6.160 -5.474 -0.787 1.00 0.00 N ATOM 166 CA THR A 13 6.797 -6.529 -0.030 1.00 0.00 C ATOM 167 C THR A 13 5.822 -7.164 0.950 1.00 0.00 C ATOM 168 O THR A 13 4.731 -6.630 1.200 1.00 0.00 O ATOM 169 CB THR A 13 8.037 -6.011 0.724 1.00 0.00 C ATOM 170 OG1 THR A 13 7.721 -4.807 1.436 1.00 0.00 O ATOM 171 CG2 THR A 13 9.182 -5.753 -0.241 1.00 0.00 C ATOM 0 H THR A 13 5.857 -4.675 -0.229 1.00 0.00 H new ATOM 0 HA THR A 13 7.120 -7.287 -0.743 1.00 0.00 H new ATOM 0 HB THR A 13 8.345 -6.776 1.437 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.408 -4.638 2.114 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.048 -5.388 0.311 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.442 -6.680 -0.753 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.878 -5.006 -0.975 1.00 0.00 H new ATOM 179 N ASN A 14 6.212 -8.321 1.480 1.00 0.00 N ATOM 180 CA ASN A 14 5.400 -9.064 2.439 1.00 0.00 C ATOM 181 C ASN A 14 4.056 -9.452 1.826 1.00 0.00 C ATOM 182 O ASN A 14 3.044 -9.551 2.520 1.00 0.00 O ATOM 183 CB ASN A 14 5.204 -8.250 3.723 1.00 0.00 C ATOM 184 CG ASN A 14 6.493 -8.062 4.502 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.374 -8.927 4.495 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.618 -6.925 5.169 1.00 0.00 N ATOM 0 H ASN A 14 7.100 -8.770 1.256 1.00 0.00 H new ATOM 0 HA ASN A 14 5.928 -9.982 2.697 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.792 -7.273 3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.471 -8.750 4.357 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.466 -6.738 5.703 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.866 -6.236 5.149 1.00 0.00 H new ATOM 192 N GLY A 15 4.057 -9.671 0.516 1.00 0.00 N ATOM 193 CA GLY A 15 2.841 -10.049 -0.180 1.00 0.00 C ATOM 194 C GLY A 15 2.137 -8.867 -0.819 1.00 0.00 C ATOM 195 O GLY A 15 1.300 -9.038 -1.707 1.00 0.00 O ATOM 0 H GLY A 15 4.882 -9.593 -0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.082 -10.782 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.162 -10.534 0.521 1.00 0.00 H new ATOM 199 N GLY A 16 2.479 -7.667 -0.371 1.00 0.00 N ATOM 200 CA GLY A 16 1.863 -6.464 -0.906 1.00 0.00 C ATOM 201 C GLY A 16 1.207 -5.644 0.181 1.00 0.00 C ATOM 202 O GLY A 16 0.476 -4.693 -0.086 1.00 0.00 O ATOM 0 H GLY A 16 3.175 -7.502 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.618 -5.862 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.120 -6.737 -1.655 1.00 0.00 H new ATOM 206 N ARG A 17 1.477 -6.028 1.414 1.00 0.00 N ATOM 207 CA ARG A 17 0.931 -5.349 2.581 1.00 0.00 C ATOM 208 C ARG A 17 1.877 -4.255 3.046 1.00 0.00 C ATOM 209 O ARG A 17 1.471 -3.296 3.704 1.00 0.00 O ATOM 210 CB ARG A 17 0.744 -6.354 3.713 1.00 0.00 C ATOM 211 CG ARG A 17 2.027 -7.090 4.042 1.00 0.00 C ATOM 212 CD ARG A 17 1.861 -8.061 5.189 1.00 0.00 C ATOM 213 NE ARG A 17 1.771 -7.384 6.478 1.00 0.00 N ATOM 214 CZ ARG A 17 2.394 -7.784 7.580 1.00 0.00 C ATOM 215 NH1 ARG A 17 3.226 -8.818 7.541 1.00 0.00 N ATOM 216 NH2 ARG A 17 2.196 -7.134 8.718 1.00 0.00 N ATOM 0 H ARG A 17 2.081 -6.819 1.638 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.027 -4.905 2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.387 -5.835 4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.025 -7.074 3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.368 -7.631 3.159 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.803 -6.367 4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.962 -8.657 5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.704 -8.752 5.202 1.00 0.00 H new ATOM 0 HE ARG A 17 1.191 -6.547 6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.389 -9.309 6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.702 -9.122 8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.568 -6.331 8.744 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.672 -7.437 9.568 1.00 0.00 H new ATOM 227 N THR A 18 3.144 -4.413 2.707 1.00 0.00 N ATOM 228 CA THR A 18 4.158 -3.468 3.104 1.00 0.00 C ATOM 229 C THR A 18 4.760 -2.775 1.888 1.00 0.00 C ATOM 230 O THR A 18 5.001 -3.401 0.853 1.00 0.00 O ATOM 231 CB THR A 18 5.256 -4.183 3.905 1.00 0.00 C ATOM 232 OG1 THR A 18 4.652 -4.963 4.949 1.00 0.00 O ATOM 233 CG2 THR A 18 6.231 -3.193 4.517 1.00 0.00 C ATOM 0 H THR A 18 3.492 -5.196 2.153 1.00 0.00 H new ATOM 0 HA THR A 18 3.694 -2.708 3.733 1.00 0.00 H new ATOM 0 HB THR A 18 5.810 -4.828 3.222 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.981 -4.655 5.819 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.995 -3.733 5.077 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.704 -2.612 3.726 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.695 -2.522 5.189 1.00 0.00 H new ATOM 241 N LEU A 19 4.973 -1.479 2.019 1.00 0.00 N ATOM 242 CA LEU A 19 5.545 -0.683 0.949 1.00 0.00 C ATOM 243 C LEU A 19 7.032 -0.506 1.163 1.00 0.00 C ATOM 244 O LEU A 19 7.453 0.014 2.196 1.00 0.00 O ATOM 245 CB LEU A 19 4.884 0.694 0.896 1.00 0.00 C ATOM 246 CG LEU A 19 3.409 0.701 0.523 1.00 0.00 C ATOM 247 CD1 LEU A 19 2.869 2.121 0.557 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.209 0.085 -0.851 1.00 0.00 C ATOM 0 H LEU A 19 4.756 -0.951 2.864 1.00 0.00 H new ATOM 0 HA LEU A 19 5.371 -1.206 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.996 1.169 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.425 1.310 0.177 1.00 0.00 H new ATOM 0 HG LEU A 19 2.859 0.103 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.813 2.115 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.986 2.531 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.420 2.737 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.149 0.097 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.766 0.659 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.569 -0.944 -0.844 1.00 0.00 H new ATOM 259 N ARG A 20 7.826 -0.950 0.208 1.00 0.00 N ATOM 260 CA ARG A 20 9.261 -0.795 0.299 1.00 0.00 C ATOM 261 C ARG A 20 9.726 0.145 -0.796 1.00 0.00 C ATOM 262 O ARG A 20 9.520 -0.123 -1.979 1.00 0.00 O ATOM 263 CB ARG A 20 9.964 -2.145 0.173 1.00 0.00 C ATOM 264 CG ARG A 20 11.478 -2.048 0.282 1.00 0.00 C ATOM 265 CD ARG A 20 12.147 -3.407 0.158 1.00 0.00 C ATOM 266 NE ARG A 20 11.774 -4.306 1.247 1.00 0.00 N ATOM 267 CZ ARG A 20 12.378 -5.462 1.504 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.415 -5.855 0.773 1.00 0.00 N ATOM 269 NH2 ARG A 20 11.951 -6.211 2.509 1.00 0.00 N ATOM 0 H ARG A 20 7.501 -1.420 -0.637 1.00 0.00 H new ATOM 0 HA ARG A 20 9.514 -0.378 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.593 -2.814 0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.704 -2.594 -0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.856 -1.386 -0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.744 -1.599 1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.873 -3.860 -0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.229 -3.278 0.150 1.00 0.00 H new ATOM 0 HE ARG A 20 10.999 -4.029 1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.752 -5.269 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.874 -6.743 0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.164 -5.900 3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.409 -7.099 2.713 1.00 0.00 H new ATOM 280 N ALA A 21 10.346 1.242 -0.408 1.00 0.00 N ATOM 281 CA ALA A 21 10.813 2.223 -1.368 1.00 0.00 C ATOM 282 C ALA A 21 12.000 3.000 -0.825 1.00 0.00 C ATOM 283 O ALA A 21 12.305 2.940 0.370 1.00 0.00 O ATOM 284 CB ALA A 21 9.681 3.172 -1.731 1.00 0.00 C ATOM 0 H ALA A 21 10.538 1.477 0.566 1.00 0.00 H new ATOM 0 HA ALA A 21 11.140 1.696 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.039 3.906 -2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.858 2.606 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.334 3.684 -0.834 1.00 0.00 H new ATOM 290 N GLU A 22 12.655 3.735 -1.708 1.00 0.00 N ATOM 291 CA GLU A 22 13.792 4.551 -1.335 1.00 0.00 C ATOM 292 C GLU A 22 13.272 5.911 -0.922 1.00 0.00 C ATOM 293 O GLU A 22 12.832 6.695 -1.762 1.00 0.00 O ATOM 294 CB GLU A 22 14.758 4.704 -2.512 1.00 0.00 C ATOM 295 CG GLU A 22 15.231 3.380 -3.089 1.00 0.00 C ATOM 296 CD GLU A 22 16.200 2.653 -2.182 1.00 0.00 C ATOM 297 OE1 GLU A 22 17.417 2.921 -2.274 1.00 0.00 O ATOM 298 OE2 GLU A 22 15.760 1.790 -1.397 1.00 0.00 O ATOM 0 H GLU A 22 12.413 3.781 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 22 14.333 4.078 -0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.270 5.280 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.625 5.279 -2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.367 2.742 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.708 3.559 -4.052 1.00 0.00 H new ATOM 303 N CYS A 23 13.284 6.169 0.370 1.00 0.00 N ATOM 304 CA CYS A 23 12.789 7.420 0.906 1.00 0.00 C ATOM 305 C CYS A 23 13.910 8.440 1.008 1.00 0.00 C ATOM 306 O CYS A 23 14.983 8.138 1.520 1.00 0.00 O ATOM 307 CB CYS A 23 12.171 7.175 2.280 1.00 0.00 C ATOM 308 SG CYS A 23 10.824 5.972 2.266 1.00 0.00 S ATOM 0 H CYS A 23 13.635 5.521 1.075 1.00 0.00 H new ATOM 0 HA CYS A 23 12.029 7.817 0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.948 6.829 2.962 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.798 8.120 2.675 1.00 0.00 H new ATOM 0 HG CYS A 23 11.304 4.786 2.036 1.00 0.00 H new ATOM 313 N ARG A 24 13.674 9.631 0.484 1.00 0.00 N ATOM 314 CA ARG A 24 14.658 10.683 0.539 1.00 0.00 C ATOM 315 C ARG A 24 14.719 11.284 1.936 1.00 0.00 C ATOM 316 O ARG A 24 13.735 11.847 2.423 1.00 0.00 O ATOM 317 CB ARG A 24 14.300 11.744 -0.484 1.00 0.00 C ATOM 318 CG ARG A 24 15.487 12.534 -0.977 1.00 0.00 C ATOM 319 CD ARG A 24 15.105 13.338 -2.196 1.00 0.00 C ATOM 320 NE ARG A 24 14.191 14.432 -1.866 1.00 0.00 N ATOM 321 CZ ARG A 24 13.227 14.856 -2.678 1.00 0.00 C ATOM 322 NH1 ARG A 24 13.114 14.340 -3.896 1.00 0.00 N ATOM 323 NH2 ARG A 24 12.394 15.809 -2.284 1.00 0.00 N ATOM 0 H ARG A 24 12.805 9.888 0.016 1.00 0.00 H new ATOM 0 HA ARG A 24 15.642 10.275 0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.813 11.267 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.575 12.430 -0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.843 13.199 -0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.308 11.859 -1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.004 13.744 -2.659 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.636 12.683 -2.930 1.00 0.00 H new ATOM 0 HE ARG A 24 14.299 14.895 -0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.766 13.620 -4.207 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.375 14.664 -4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.491 16.220 -1.355 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.656 16.132 -2.910 1.00 0.00 H new ATOM 334 N ASN A 25 15.863 11.139 2.588 1.00 0.00 N ATOM 335 CA ASN A 25 16.045 11.678 3.924 1.00 0.00 C ATOM 336 C ASN A 25 16.398 13.155 3.850 1.00 0.00 C ATOM 337 O ASN A 25 16.648 13.669 2.752 1.00 0.00 O ATOM 338 CB ASN A 25 17.105 10.892 4.719 1.00 0.00 C ATOM 339 CG ASN A 25 18.497 10.926 4.106 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.882 11.881 3.439 1.00 0.00 O ATOM 341 ND2 ASN A 25 19.270 9.880 4.342 1.00 0.00 N ATOM 0 H ASN A 25 16.677 10.653 2.213 1.00 0.00 H new ATOM 0 HA ASN A 25 15.102 11.571 4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.156 11.294 5.731 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.783 9.854 4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.217 9.851 3.965 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.919 9.102 4.901 1.00 0.00 H new ATOM 347 N ALA A 26 16.461 13.821 5.002 1.00 0.00 N ATOM 348 CA ALA A 26 16.761 15.253 5.063 1.00 0.00 C ATOM 349 C ALA A 26 18.084 15.592 4.380 1.00 0.00 C ATOM 350 O ALA A 26 18.247 16.676 3.822 1.00 0.00 O ATOM 351 CB ALA A 26 16.780 15.727 6.507 1.00 0.00 C ATOM 0 H ALA A 26 16.307 13.389 5.913 1.00 0.00 H new ATOM 0 HA ALA A 26 15.971 15.774 4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.004 16.793 6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.806 15.548 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.544 15.180 7.060 1.00 0.00 H new ATOM 357 N ASP A 27 19.021 14.652 4.404 1.00 0.00 N ATOM 358 CA ASP A 27 20.325 14.861 3.779 1.00 0.00 C ATOM 359 C ASP A 27 20.188 14.813 2.257 1.00 0.00 C ATOM 360 O ASP A 27 21.075 15.237 1.514 1.00 0.00 O ATOM 361 CB ASP A 27 21.316 13.799 4.268 1.00 0.00 C ATOM 362 CG ASP A 27 22.680 13.909 3.618 1.00 0.00 C ATOM 363 OD1 ASP A 27 23.364 14.935 3.822 1.00 0.00 O ATOM 364 OD2 ASP A 27 23.077 12.966 2.902 1.00 0.00 O ATOM 0 H ASP A 27 18.905 13.741 4.847 1.00 0.00 H new ATOM 0 HA ASP A 27 20.705 15.843 4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 27 21.428 13.886 5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.905 12.809 4.069 1.00 0.00 H new ATOM 368 N GLY A 28 19.042 14.330 1.807 1.00 0.00 N ATOM 369 CA GLY A 28 18.781 14.214 0.389 1.00 0.00 C ATOM 370 C GLY A 28 19.259 12.889 -0.135 1.00 0.00 C ATOM 371 O GLY A 28 19.560 12.746 -1.318 1.00 0.00 O ATOM 0 H GLY A 28 18.280 14.013 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.713 14.320 0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.280 15.023 -0.145 1.00 0.00 H new ATOM 375 N ASN A 29 19.318 11.912 0.753 1.00 0.00 N ATOM 376 CA ASN A 29 19.794 10.580 0.391 1.00 0.00 C ATOM 377 C ASN A 29 18.629 9.603 0.322 1.00 0.00 C ATOM 378 O ASN A 29 17.559 9.868 0.864 1.00 0.00 O ATOM 379 CB ASN A 29 20.819 10.092 1.422 1.00 0.00 C ATOM 380 CG ASN A 29 21.851 9.148 0.830 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.575 8.412 -0.119 1.00 0.00 O ATOM 382 ND2 ASN A 29 23.051 9.160 1.390 1.00 0.00 N ATOM 0 H ASN A 29 19.043 12.012 1.730 1.00 0.00 H new ATOM 0 HA ASN A 29 20.268 10.634 -0.589 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.328 10.953 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.297 9.587 2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.785 8.546 1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 29 23.242 9.784 2.174 1.00 0.00 H new ATOM 388 N TRP A 30 18.841 8.478 -0.337 1.00 0.00 N ATOM 389 CA TRP A 30 17.805 7.468 -0.474 1.00 0.00 C ATOM 390 C TRP A 30 18.010 6.341 0.523 1.00 0.00 C ATOM 391 O TRP A 30 19.066 5.708 0.544 1.00 0.00 O ATOM 392 CB TRP A 30 17.800 6.887 -1.885 1.00 0.00 C ATOM 393 CG TRP A 30 17.508 7.886 -2.954 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.367 8.326 -3.917 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.273 8.569 -3.170 1.00 0.00 C ATOM 396 NE1 TRP A 30 17.735 9.233 -4.728 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.449 9.403 -4.286 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.032 8.554 -2.534 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.432 10.214 -4.775 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.024 9.361 -3.022 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.229 10.181 -4.132 1.00 0.00 C ATOM 0 H TRP A 30 19.724 8.240 -0.788 1.00 0.00 H new ATOM 0 HA TRP A 30 16.849 7.953 -0.277 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.771 6.433 -2.083 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.059 6.090 -1.935 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.393 8.007 -4.025 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.154 9.704 -5.530 1.00 0.00 H new ATOM 0 HE3 TRP A 30 14.863 7.922 -1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.588 10.849 -5.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.060 9.358 -2.536 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.420 10.801 -4.489 1.00 0.00 H new ATOM 411 N VAL A 31 17.005 6.102 1.348 1.00 0.00 N ATOM 412 CA VAL A 31 17.060 5.035 2.332 1.00 0.00 C ATOM 413 C VAL A 31 15.874 4.095 2.158 1.00 0.00 C ATOM 414 O VAL A 31 14.746 4.537 1.948 1.00 0.00 O ATOM 415 CB VAL A 31 17.092 5.581 3.776 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.463 6.153 4.097 1.00 0.00 C ATOM 417 CG2 VAL A 31 16.022 6.637 3.989 1.00 0.00 C ATOM 0 H VAL A 31 16.136 6.636 1.355 1.00 0.00 H new ATOM 0 HA VAL A 31 17.987 4.486 2.165 1.00 0.00 H new ATOM 0 HB VAL A 31 16.888 4.750 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.468 6.534 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.216 5.371 3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.689 6.965 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.070 7.002 5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.187 7.466 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.040 6.202 3.804 1.00 0.00 H new ATOM 427 N THR A 32 16.135 2.802 2.222 1.00 0.00 N ATOM 428 CA THR A 32 15.091 1.805 2.054 1.00 0.00 C ATOM 429 C THR A 32 14.221 1.711 3.302 1.00 0.00 C ATOM 430 O THR A 32 14.661 1.228 4.346 1.00 0.00 O ATOM 431 CB THR A 32 15.699 0.424 1.747 1.00 0.00 C ATOM 432 OG1 THR A 32 16.687 0.551 0.717 1.00 0.00 O ATOM 433 CG2 THR A 32 14.624 -0.553 1.302 1.00 0.00 C ATOM 0 H THR A 32 17.064 2.416 2.390 1.00 0.00 H new ATOM 0 HA THR A 32 14.471 2.117 1.214 1.00 0.00 H new ATOM 0 HB THR A 32 16.161 0.041 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.248 0.762 -0.133 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.077 -1.521 1.091 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.883 -0.664 2.094 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.139 -0.175 0.402 1.00 0.00 H new ATOM 441 N SER A 33 12.989 2.172 3.189 1.00 0.00 N ATOM 442 CA SER A 33 12.066 2.143 4.310 1.00 0.00 C ATOM 443 C SER A 33 10.790 1.397 3.938 1.00 0.00 C ATOM 444 O SER A 33 10.370 1.408 2.779 1.00 0.00 O ATOM 445 CB SER A 33 11.743 3.565 4.765 1.00 0.00 C ATOM 446 OG SER A 33 12.911 4.228 5.220 1.00 0.00 O ATOM 0 H SER A 33 12.604 2.571 2.333 1.00 0.00 H new ATOM 0 HA SER A 33 12.541 1.613 5.135 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.301 4.124 3.940 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.002 3.536 5.564 1.00 0.00 H new ATOM 0 HG SER A 33 12.874 5.172 4.960 1.00 0.00 H new ATOM 451 N GLU A 34 10.194 0.736 4.923 1.00 0.00 N ATOM 452 CA GLU A 34 8.971 -0.020 4.709 1.00 0.00 C ATOM 453 C GLU A 34 7.872 0.425 5.667 1.00 0.00 C ATOM 454 O GLU A 34 8.151 0.889 6.773 1.00 0.00 O ATOM 455 CB GLU A 34 9.220 -1.514 4.898 1.00 0.00 C ATOM 456 CG GLU A 34 10.217 -2.111 3.922 1.00 0.00 C ATOM 457 CD GLU A 34 10.280 -3.618 4.024 1.00 0.00 C ATOM 458 OE1 GLU A 34 10.794 -4.130 5.041 1.00 0.00 O ATOM 459 OE2 GLU A 34 9.821 -4.299 3.084 1.00 0.00 O ATOM 0 H GLU A 34 10.542 0.710 5.882 1.00 0.00 H new ATOM 0 HA GLU A 34 8.648 0.170 3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.577 -1.685 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.272 -2.043 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.943 -1.828 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.206 -1.693 4.113 1.00 0.00 H new ATOM 464 N LEU A 35 6.628 0.291 5.229 1.00 0.00 N ATOM 465 CA LEU A 35 5.474 0.646 6.046 1.00 0.00 C ATOM 466 C LEU A 35 4.366 -0.373 5.804 1.00 0.00 C ATOM 467 O LEU A 35 4.047 -0.693 4.656 1.00 0.00 O ATOM 468 CB LEU A 35 4.985 2.067 5.707 1.00 0.00 C ATOM 469 CG LEU A 35 4.142 2.778 6.785 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.745 2.188 6.879 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.835 2.699 8.136 1.00 0.00 C ATOM 0 H LEU A 35 6.390 -0.065 4.303 1.00 0.00 H new ATOM 0 HA LEU A 35 5.757 0.634 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.856 2.686 5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.396 2.016 4.791 1.00 0.00 H new ATOM 0 HG LEU A 35 4.046 3.824 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.179 2.713 7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.239 2.296 5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.813 1.131 7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.228 3.205 8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.964 1.654 8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.811 3.181 8.073 1.00 0.00 H new ATOM 482 N ASP A 36 3.801 -0.894 6.882 1.00 0.00 N ATOM 483 CA ASP A 36 2.736 -1.880 6.795 1.00 0.00 C ATOM 484 C ASP A 36 1.377 -1.196 6.720 1.00 0.00 C ATOM 485 O ASP A 36 0.911 -0.596 7.684 1.00 0.00 O ATOM 486 CB ASP A 36 2.796 -2.810 8.009 1.00 0.00 C ATOM 487 CG ASP A 36 2.997 -2.046 9.307 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.157 -1.698 9.615 1.00 0.00 O ATOM 489 OD2 ASP A 36 2.009 -1.780 10.014 1.00 0.00 O ATOM 0 H ASP A 36 4.066 -0.647 7.836 1.00 0.00 H new ATOM 0 HA ASP A 36 2.872 -2.467 5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.873 -3.387 8.068 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.610 -3.523 7.879 1.00 0.00 H new ATOM 493 N LEU A 37 0.754 -1.272 5.561 1.00 0.00 N ATOM 494 CA LEU A 37 -0.555 -0.667 5.368 1.00 0.00 C ATOM 495 C LEU A 37 -1.662 -1.621 5.786 1.00 0.00 C ATOM 496 O LEU A 37 -2.772 -1.192 6.087 1.00 0.00 O ATOM 497 CB LEU A 37 -0.764 -0.277 3.906 1.00 0.00 C ATOM 498 CG LEU A 37 0.503 0.034 3.116 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.153 0.305 1.667 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.235 1.221 3.716 1.00 0.00 C ATOM 0 H LEU A 37 1.129 -1.745 4.739 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.594 0.227 5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.292 -1.088 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.415 0.597 3.872 1.00 0.00 H new ATOM 0 HG LEU A 37 1.165 -0.831 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.062 0.526 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.331 -0.573 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.525 1.157 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.135 1.424 3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.586 2.096 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.510 0.996 4.746 1.00 0.00 H new ATOM 511 N ASP A 38 -1.352 -2.914 5.828 1.00 0.00 N ATOM 512 CA ASP A 38 -2.342 -3.929 6.183 1.00 0.00 C ATOM 513 C ASP A 38 -2.833 -3.765 7.611 1.00 0.00 C ATOM 514 O ASP A 38 -3.833 -4.359 7.997 1.00 0.00 O ATOM 515 CB ASP A 38 -1.774 -5.337 6.002 1.00 0.00 C ATOM 516 CG ASP A 38 -0.752 -5.691 7.061 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.393 -5.207 6.963 1.00 0.00 O ATOM 518 OD2 ASP A 38 -1.083 -6.469 7.980 1.00 0.00 O ATOM 0 H ASP A 38 -0.424 -3.284 5.621 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.187 -3.791 5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.589 -6.060 6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.314 -5.416 5.017 1.00 0.00 H new ATOM 522 N THR A 39 -2.136 -2.965 8.391 1.00 0.00 N ATOM 523 CA THR A 39 -2.521 -2.734 9.768 1.00 0.00 C ATOM 524 C THR A 39 -3.590 -1.649 9.857 1.00 0.00 C ATOM 525 O THR A 39 -4.205 -1.451 10.907 1.00 0.00 O ATOM 526 CB THR A 39 -1.300 -2.336 10.611 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.672 -1.174 10.051 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.301 -3.477 10.657 1.00 0.00 C ATOM 0 H THR A 39 -1.299 -2.463 8.095 1.00 0.00 H new ATOM 0 HA THR A 39 -2.933 -3.663 10.162 1.00 0.00 H new ATOM 0 HB THR A 39 -1.636 -2.112 11.623 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.272 -1.366 9.873 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.560 -3.183 11.257 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.771 -4.354 11.102 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.027 -3.715 9.645 1.00 0.00 H new ATOM 536 N CYS A 40 -3.809 -0.956 8.746 1.00 0.00 N ATOM 537 CA CYS A 40 -4.798 0.117 8.698 1.00 0.00 C ATOM 538 C CYS A 40 -5.746 -0.020 7.498 1.00 0.00 C ATOM 539 O CYS A 40 -6.744 0.696 7.404 1.00 0.00 O ATOM 540 CB CYS A 40 -4.082 1.465 8.654 1.00 0.00 C ATOM 541 SG CYS A 40 -2.842 1.668 9.955 1.00 0.00 S ATOM 0 H CYS A 40 -3.317 -1.116 7.867 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.410 0.049 9.598 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.600 1.580 7.683 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.820 2.262 8.740 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.483 2.916 10.022 1.00 0.00 H new ATOM 546 N ILE A 41 -5.430 -0.932 6.581 1.00 0.00 N ATOM 547 CA ILE A 41 -6.263 -1.158 5.404 1.00 0.00 C ATOM 548 C ILE A 41 -6.901 -2.541 5.453 1.00 0.00 C ATOM 549 O ILE A 41 -6.243 -3.526 5.798 1.00 0.00 O ATOM 550 CB ILE A 41 -5.458 -1.047 4.086 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.799 0.324 3.959 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.362 -1.307 2.885 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.975 0.478 2.698 1.00 0.00 C ATOM 0 H ILE A 41 -4.603 -1.526 6.631 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.028 -0.382 5.418 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.673 -1.803 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.571 1.093 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.160 0.494 4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.780 -1.225 1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.785 -2.309 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.168 -0.573 2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.535 1.475 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.182 -0.269 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.615 0.340 1.826 1.00 0.00 H new ATOM 564 N GLY A 42 -8.175 -2.608 5.104 1.00 0.00 N ATOM 565 CA GLY A 42 -8.878 -3.871 5.094 1.00 0.00 C ATOM 566 C GLY A 42 -9.962 -3.895 4.043 1.00 0.00 C ATOM 567 O GLY A 42 -10.407 -2.839 3.585 1.00 0.00 O ATOM 0 H GLY A 42 -8.738 -1.804 4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.172 -4.680 4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.317 -4.051 6.075 1.00 0.00 H new ATOM 571 N ASN A 43 -10.375 -5.093 3.644 1.00 0.00 N ATOM 572 CA ASN A 43 -11.417 -5.244 2.633 1.00 0.00 C ATOM 573 C ASN A 43 -12.118 -6.607 2.708 1.00 0.00 C ATOM 574 O ASN A 43 -12.329 -7.245 1.676 1.00 0.00 O ATOM 575 CB ASN A 43 -10.818 -5.061 1.232 1.00 0.00 C ATOM 576 CG ASN A 43 -9.582 -5.913 0.986 1.00 0.00 C ATOM 577 OD1 ASN A 43 -9.361 -6.928 1.642 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.768 -5.503 0.030 1.00 0.00 N ATOM 0 H ASN A 43 -10.005 -5.973 4.004 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.164 -4.476 2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.574 -5.308 0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.561 -4.011 1.089 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.924 -6.034 -0.184 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.983 -4.655 -0.494 1.00 0.00 H new ATOM 584 N PRO A 44 -12.553 -7.058 3.906 1.00 0.00 N ATOM 585 CA PRO A 44 -13.211 -8.364 4.050 1.00 0.00 C ATOM 586 C PRO A 44 -14.586 -8.391 3.392 1.00 0.00 C ATOM 587 O PRO A 44 -15.102 -9.452 3.037 1.00 0.00 O ATOM 588 CB PRO A 44 -13.341 -8.532 5.565 1.00 0.00 C ATOM 589 CG PRO A 44 -13.375 -7.141 6.094 1.00 0.00 C ATOM 590 CD PRO A 44 -12.475 -6.342 5.196 1.00 0.00 C ATOM 0 HA PRO A 44 -12.646 -9.162 3.567 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.247 -9.078 5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.501 -9.092 5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.390 -6.744 6.085 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.028 -7.106 7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.813 -5.310 5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.454 -6.310 5.576 1.00 0.00 H new ATOM 595 N ASN A 45 -15.169 -7.211 3.217 1.00 0.00 N ATOM 596 CA ASN A 45 -16.486 -7.089 2.605 1.00 0.00 C ATOM 597 C ASN A 45 -16.357 -6.891 1.103 1.00 0.00 C ATOM 598 O ASN A 45 -17.354 -6.759 0.392 1.00 0.00 O ATOM 599 CB ASN A 45 -17.266 -5.918 3.215 1.00 0.00 C ATOM 600 CG ASN A 45 -17.458 -6.058 4.716 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.433 -7.163 5.259 1.00 0.00 O ATOM 602 ND2 ASN A 45 -17.679 -4.945 5.394 1.00 0.00 N ATOM 0 H ASN A 45 -14.749 -6.323 3.491 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.033 -8.012 2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.738 -4.987 3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.241 -5.847 2.733 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.836 -4.984 6.401 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.692 -4.047 4.910 1.00 0.00 H new ATOM 608 N GLY A 46 -15.120 -6.873 0.623 1.00 0.00 N ATOM 609 CA GLY A 46 -14.880 -6.684 -0.790 1.00 0.00 C ATOM 610 C GLY A 46 -14.670 -5.230 -1.145 1.00 0.00 C ATOM 611 O GLY A 46 -14.584 -4.876 -2.319 1.00 0.00 O ATOM 0 H GLY A 46 -14.279 -6.986 1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.003 -7.259 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.725 -7.076 -1.356 1.00 0.00 H new ATOM 615 N PHE A 47 -14.596 -4.382 -0.130 1.00 0.00 N ATOM 616 CA PHE A 47 -14.394 -2.958 -0.348 1.00 0.00 C ATOM 617 C PHE A 47 -13.125 -2.482 0.338 1.00 0.00 C ATOM 618 O PHE A 47 -12.891 -2.776 1.507 1.00 0.00 O ATOM 619 CB PHE A 47 -15.600 -2.161 0.146 1.00 0.00 C ATOM 620 CG PHE A 47 -16.867 -2.504 -0.582 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.939 -2.378 -1.962 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.982 -2.955 0.107 1.00 0.00 C ATOM 623 CE1 PHE A 47 -18.101 -2.698 -2.640 1.00 0.00 C ATOM 624 CE2 PHE A 47 -19.146 -3.273 -0.566 1.00 0.00 C ATOM 625 CZ PHE A 47 -19.206 -3.145 -1.940 1.00 0.00 C ATOM 0 H PHE A 47 -14.673 -4.654 0.850 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.286 -2.791 -1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.738 -2.345 1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.397 -1.096 0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -16.079 -2.026 -2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.940 -3.059 1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -18.145 -2.599 -3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -20.009 -3.622 -0.018 1.00 0.00 H new ATOM 0 HZ PHE A 47 -20.115 -3.394 -2.467 1.00 0.00 H new ATOM 634 N LEU A 48 -12.324 -1.736 -0.406 1.00 0.00 N ATOM 635 CA LEU A 48 -11.057 -1.214 0.086 1.00 0.00 C ATOM 636 C LEU A 48 -11.252 0.080 0.853 1.00 0.00 C ATOM 637 O LEU A 48 -12.145 0.873 0.539 1.00 0.00 O ATOM 638 CB LEU A 48 -10.115 -0.970 -1.094 1.00 0.00 C ATOM 639 CG LEU A 48 -9.383 -2.206 -1.605 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.932 -1.999 -3.038 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.188 -2.503 -0.714 1.00 0.00 C ATOM 0 H LEU A 48 -12.533 -1.474 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.626 -1.950 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.690 -0.542 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.376 -0.225 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.065 -3.056 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.411 -2.890 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.801 -1.815 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.259 -1.143 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.669 -3.387 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.507 -1.652 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.530 -2.683 0.305 1.00 0.00 H new ATOM 652 N GLY A 49 -10.424 0.291 1.862 1.00 0.00 N ATOM 653 CA GLY A 49 -10.517 1.504 2.637 1.00 0.00 C ATOM 654 C GLY A 49 -9.676 1.459 3.890 1.00 0.00 C ATOM 655 O GLY A 49 -9.135 0.408 4.247 1.00 0.00 O ATOM 0 H GLY A 49 -9.692 -0.355 2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.202 2.348 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.558 1.678 2.909 1.00 0.00 H new ATOM 659 N TRP A 50 -9.567 2.600 4.551 1.00 0.00 N ATOM 660 CA TRP A 50 -8.787 2.712 5.773 1.00 0.00 C ATOM 661 C TRP A 50 -9.701 2.565 6.985 1.00 0.00 C ATOM 662 O TRP A 50 -10.703 3.272 7.101 1.00 0.00 O ATOM 663 CB TRP A 50 -8.060 4.063 5.818 1.00 0.00 C ATOM 664 CG TRP A 50 -7.041 4.244 4.728 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.247 4.763 3.480 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.652 3.905 4.794 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.066 4.764 2.769 1.00 0.00 N ATOM 668 CE2 TRP A 50 -5.077 4.238 3.553 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.840 3.351 5.780 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.729 4.033 3.277 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.503 3.147 5.505 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.959 3.486 4.263 1.00 0.00 C ATOM 0 H TRP A 50 -10.013 3.469 4.258 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.042 1.917 5.791 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.797 4.863 5.749 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.566 4.167 6.784 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.195 5.120 3.106 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.949 5.102 1.814 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.249 3.085 6.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.307 4.297 2.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.865 2.717 6.264 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.909 3.312 4.080 1.00 0.00 H new ATOM 682 N GLY A 51 -9.364 1.644 7.877 1.00 0.00 N ATOM 683 CA GLY A 51 -10.172 1.420 9.062 1.00 0.00 C ATOM 684 C GLY A 51 -10.101 -0.019 9.529 1.00 0.00 C ATOM 685 O GLY A 51 -9.973 -0.293 10.722 1.00 0.00 O ATOM 0 H GLY A 51 -8.542 1.045 7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.834 2.079 9.862 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.208 1.682 8.850 1.00 0.00 H new ATOM 689 N MET A 52 -10.192 -0.935 8.579 1.00 0.00 N ATOM 690 CA MET A 52 -10.121 -2.360 8.870 1.00 0.00 C ATOM 691 C MET A 52 -8.669 -2.810 8.687 1.00 0.00 C ATOM 692 O MET A 52 -7.811 -1.978 8.408 1.00 0.00 O ATOM 693 CB MET A 52 -11.081 -3.115 7.941 1.00 0.00 C ATOM 694 CG MET A 52 -11.611 -4.437 8.494 1.00 0.00 C ATOM 695 SD MET A 52 -12.815 -4.234 9.831 1.00 0.00 S ATOM 696 CE MET A 52 -11.771 -3.767 11.212 1.00 0.00 C ATOM 0 H MET A 52 -10.316 -0.716 7.591 1.00 0.00 H new ATOM 0 HA MET A 52 -10.425 -2.574 9.895 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.928 -2.467 7.715 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.570 -3.312 6.998 1.00 0.00 H new ATOM 0 HG2 MET A 52 -12.073 -5.001 7.684 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.773 -5.031 8.859 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.229 -4.100 12.143 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.792 -4.234 11.102 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.656 -2.683 11.231 1.00 0.00 H new ATOM 704 N GLN A 53 -8.367 -4.094 8.841 1.00 0.00 N ATOM 705 CA GLN A 53 -6.987 -4.546 8.695 1.00 0.00 C ATOM 706 C GLN A 53 -6.896 -5.914 8.028 1.00 0.00 C ATOM 707 O GLN A 53 -7.906 -6.596 7.840 1.00 0.00 O ATOM 708 CB GLN A 53 -6.304 -4.591 10.063 1.00 0.00 C ATOM 709 CG GLN A 53 -6.961 -5.548 11.044 1.00 0.00 C ATOM 710 CD GLN A 53 -6.245 -5.595 12.377 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.653 -4.608 12.813 1.00 0.00 O ATOM 712 NE2 GLN A 53 -6.295 -6.743 13.034 1.00 0.00 N ATOM 0 H GLN A 53 -9.041 -4.827 9.062 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.478 -3.831 8.049 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.262 -4.881 9.929 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.304 -3.589 10.492 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.997 -5.247 11.202 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.983 -6.548 10.611 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.797 -7.537 12.636 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.832 -6.834 13.938 1.00 0.00 H new ATOM 719 N ASN A 54 -5.665 -6.293 7.680 1.00 0.00 N ATOM 720 CA ASN A 54 -5.361 -7.576 7.042 1.00 0.00 C ATOM 721 C ASN A 54 -5.956 -7.682 5.646 1.00 0.00 C ATOM 722 O ASN A 54 -6.379 -8.762 5.230 1.00 0.00 O ATOM 723 CB ASN A 54 -5.833 -8.753 7.900 1.00 0.00 C ATOM 724 CG ASN A 54 -4.849 -9.098 9.000 1.00 0.00 C ATOM 725 OD1 ASN A 54 -5.048 -8.526 10.176 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.926 -9.887 8.793 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.841 -5.711 7.835 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.276 -7.621 6.948 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.799 -8.511 8.343 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.983 -9.625 7.264 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.810 -10.305 7.870 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.278 -10.122 9.545 1.00 0.00 H new ATOM 732 N PHE A 55 -5.965 -6.572 4.909 1.00 0.00 N ATOM 733 CA PHE A 55 -6.502 -6.570 3.553 1.00 0.00 C ATOM 734 C PHE A 55 -5.689 -7.496 2.657 1.00 0.00 C ATOM 735 O PHE A 55 -6.210 -8.058 1.707 1.00 0.00 O ATOM 736 CB PHE A 55 -6.524 -5.153 2.956 1.00 0.00 C ATOM 737 CG PHE A 55 -5.204 -4.682 2.398 1.00 0.00 C ATOM 738 CD1 PHE A 55 -4.168 -4.308 3.238 1.00 0.00 C ATOM 739 CD2 PHE A 55 -5.009 -4.608 1.029 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.961 -3.872 2.722 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.806 -4.170 0.507 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.781 -3.802 1.355 1.00 0.00 C ATOM 0 H PHE A 55 -5.609 -5.670 5.227 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.529 -6.931 3.607 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.271 -5.120 2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.847 -4.454 3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.304 -4.357 4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.807 -4.896 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.160 -3.587 3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.668 -4.116 -0.563 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.840 -3.460 0.950 1.00 0.00 H new ATOM 751 N SER A 56 -4.412 -7.663 2.987 1.00 0.00 N ATOM 752 CA SER A 56 -3.513 -8.513 2.217 1.00 0.00 C ATOM 753 C SER A 56 -4.025 -9.949 2.153 1.00 0.00 C ATOM 754 O SER A 56 -3.868 -10.633 1.141 1.00 0.00 O ATOM 755 CB SER A 56 -2.121 -8.470 2.845 1.00 0.00 C ATOM 756 OG SER A 56 -2.201 -8.618 4.251 1.00 0.00 O ATOM 0 H SER A 56 -3.974 -7.215 3.792 1.00 0.00 H new ATOM 0 HA SER A 56 -3.466 -8.138 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.503 -9.264 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.636 -7.525 2.601 1.00 0.00 H new ATOM 0 HG SER A 56 -1.300 -8.590 4.635 1.00 0.00 H new ATOM 761 N HIS A 57 -4.661 -10.390 3.233 1.00 0.00 N ATOM 762 CA HIS A 57 -5.201 -11.741 3.306 1.00 0.00 C ATOM 763 C HIS A 57 -6.535 -11.824 2.575 1.00 0.00 C ATOM 764 O HIS A 57 -7.068 -12.907 2.344 1.00 0.00 O ATOM 765 CB HIS A 57 -5.364 -12.181 4.764 1.00 0.00 C ATOM 766 CG HIS A 57 -4.071 -12.569 5.412 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.510 -11.879 6.469 1.00 0.00 N ATOM 768 CD2 HIS A 57 -3.223 -13.588 5.143 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.375 -12.459 6.814 1.00 0.00 C ATOM 770 NE2 HIS A 57 -2.179 -13.497 6.026 1.00 0.00 N ATOM 0 H HIS A 57 -4.815 -9.829 4.071 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.497 -12.416 2.820 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.819 -11.370 5.333 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.052 -13.025 4.807 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.346 -14.336 4.374 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.718 -12.137 7.608 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.380 -14.130 6.067 1.00 0.00 H new ATOM 778 N SER A 58 -7.063 -10.672 2.199 1.00 0.00 N ATOM 779 CA SER A 58 -8.326 -10.604 1.495 1.00 0.00 C ATOM 780 C SER A 58 -8.158 -9.867 0.167 1.00 0.00 C ATOM 781 O SER A 58 -9.087 -9.238 -0.327 1.00 0.00 O ATOM 782 CB SER A 58 -9.368 -9.910 2.373 1.00 0.00 C ATOM 783 OG SER A 58 -9.436 -10.519 3.654 1.00 0.00 O ATOM 0 H SER A 58 -6.630 -9.765 2.373 1.00 0.00 H new ATOM 0 HA SER A 58 -8.668 -11.616 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.115 -8.855 2.480 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.345 -9.956 1.891 1.00 0.00 H new ATOM 0 HG SER A 58 -10.107 -10.059 4.200 1.00 0.00 H new ATOM 788 N SER A 59 -6.964 -9.943 -0.410 1.00 0.00 N ATOM 789 CA SER A 59 -6.699 -9.285 -1.682 1.00 0.00 C ATOM 790 C SER A 59 -5.892 -10.184 -2.605 1.00 0.00 C ATOM 791 O SER A 59 -5.112 -11.025 -2.152 1.00 0.00 O ATOM 792 CB SER A 59 -5.955 -7.966 -1.474 1.00 0.00 C ATOM 793 OG SER A 59 -6.684 -7.096 -0.630 1.00 0.00 O ATOM 0 H SER A 59 -6.170 -10.450 -0.020 1.00 0.00 H new ATOM 0 HA SER A 59 -7.663 -9.077 -2.146 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.975 -8.163 -1.039 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.785 -7.485 -2.437 1.00 0.00 H new ATOM 0 HG SER A 59 -6.885 -7.551 0.214 1.00 0.00 H new ATOM 798 N GLU A 60 -6.100 -10.007 -3.901 1.00 0.00 N ATOM 799 CA GLU A 60 -5.391 -10.781 -4.905 1.00 0.00 C ATOM 800 C GLU A 60 -4.793 -9.843 -5.949 1.00 0.00 C ATOM 801 O GLU A 60 -5.464 -8.914 -6.404 1.00 0.00 O ATOM 802 CB GLU A 60 -6.347 -11.780 -5.563 1.00 0.00 C ATOM 803 CG GLU A 60 -7.107 -12.626 -4.551 1.00 0.00 C ATOM 804 CD GLU A 60 -8.110 -13.568 -5.180 1.00 0.00 C ATOM 805 OE1 GLU A 60 -8.549 -13.314 -6.322 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.473 -14.567 -4.520 1.00 0.00 O ATOM 0 H GLU A 60 -6.759 -9.329 -4.283 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.582 -11.337 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.060 -11.238 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.781 -12.435 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.393 -13.206 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.627 -11.966 -3.856 1.00 0.00 H new ATOM 811 N ASP A 61 -3.527 -10.078 -6.292 1.00 0.00 N ATOM 812 CA ASP A 61 -2.809 -9.267 -7.283 1.00 0.00 C ATOM 813 C ASP A 61 -2.708 -7.812 -6.820 1.00 0.00 C ATOM 814 O ASP A 61 -3.477 -6.952 -7.248 1.00 0.00 O ATOM 815 CB ASP A 61 -3.489 -9.355 -8.659 1.00 0.00 C ATOM 816 CG ASP A 61 -2.725 -8.620 -9.745 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.546 -8.956 -9.987 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.300 -7.705 -10.371 1.00 0.00 O ATOM 0 H ASP A 61 -2.969 -10.833 -5.894 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.799 -9.665 -7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.593 -10.403 -8.941 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.496 -8.943 -8.588 1.00 0.00 H new ATOM 822 N ILE A 62 -1.759 -7.553 -5.928 1.00 0.00 N ATOM 823 CA ILE A 62 -1.553 -6.215 -5.382 1.00 0.00 C ATOM 824 C ILE A 62 -0.410 -5.499 -6.101 1.00 0.00 C ATOM 825 O ILE A 62 0.704 -6.022 -6.178 1.00 0.00 O ATOM 826 CB ILE A 62 -1.234 -6.288 -3.872 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.353 -7.022 -3.126 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.029 -4.892 -3.298 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.089 -7.198 -1.645 1.00 0.00 C ATOM 0 H ILE A 62 -1.116 -8.256 -5.565 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.475 -5.653 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.308 -6.848 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.285 -6.472 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.496 -8.003 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.805 -4.965 -2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.199 -4.406 -3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.936 -4.304 -3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.925 -7.726 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.175 -7.775 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.976 -6.220 -1.177 1.00 0.00 H new ATOM 840 N LYS A 63 -0.685 -4.310 -6.632 1.00 0.00 N ATOM 841 CA LYS A 63 0.335 -3.544 -7.335 1.00 0.00 C ATOM 842 C LYS A 63 0.098 -2.039 -7.190 1.00 0.00 C ATOM 843 O LYS A 63 -1.018 -1.596 -6.926 1.00 0.00 O ATOM 844 CB LYS A 63 0.348 -3.939 -8.815 1.00 0.00 C ATOM 845 CG LYS A 63 1.606 -3.515 -9.553 1.00 0.00 C ATOM 846 CD LYS A 63 2.852 -4.041 -8.858 1.00 0.00 C ATOM 847 CE LYS A 63 4.114 -3.719 -9.640 1.00 0.00 C ATOM 848 NZ LYS A 63 4.172 -4.456 -10.927 1.00 0.00 N ATOM 0 H LYS A 63 -1.600 -3.860 -6.588 1.00 0.00 H new ATOM 0 HA LYS A 63 1.304 -3.772 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.239 -5.021 -8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.517 -3.495 -9.307 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.573 -3.886 -10.577 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.649 -2.427 -9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.922 -3.607 -7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.769 -5.120 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.157 -2.647 -9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.988 -3.970 -9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.130 -4.386 -11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.937 -5.456 -10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.489 -4.043 -11.594 1.00 0.00 H new ATOM 858 N LEU A 64 1.166 -1.263 -7.340 1.00 0.00 N ATOM 859 CA LEU A 64 1.091 0.192 -7.249 1.00 0.00 C ATOM 860 C LEU A 64 1.035 0.802 -8.642 1.00 0.00 C ATOM 861 O LEU A 64 1.874 0.506 -9.493 1.00 0.00 O ATOM 862 CB LEU A 64 2.298 0.736 -6.490 1.00 0.00 C ATOM 863 CG LEU A 64 2.318 0.410 -5.000 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.676 0.749 -4.401 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.213 1.165 -4.282 1.00 0.00 C ATOM 0 H LEU A 64 2.103 -1.621 -7.527 1.00 0.00 H new ATOM 0 HA LEU A 64 0.184 0.462 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.205 0.340 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.327 1.819 -6.611 1.00 0.00 H new ATOM 0 HG LEU A 64 2.145 -0.659 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.674 0.511 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.450 0.167 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.877 1.812 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.238 0.923 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.360 2.237 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.247 0.877 -4.697 1.00 0.00 H new ATOM 876 N GLU A 65 0.056 1.670 -8.858 1.00 0.00 N ATOM 877 CA GLU A 65 -0.142 2.303 -10.158 1.00 0.00 C ATOM 878 C GLU A 65 0.560 3.654 -10.265 1.00 0.00 C ATOM 879 O GLU A 65 1.500 3.813 -11.041 1.00 0.00 O ATOM 880 CB GLU A 65 -1.634 2.487 -10.416 1.00 0.00 C ATOM 881 CG GLU A 65 -2.412 1.186 -10.422 1.00 0.00 C ATOM 882 CD GLU A 65 -2.032 0.284 -11.578 1.00 0.00 C ATOM 883 OE1 GLU A 65 -0.927 -0.293 -11.559 1.00 0.00 O ATOM 884 OE2 GLU A 65 -2.842 0.151 -12.520 1.00 0.00 O ATOM 0 H GLU A 65 -0.618 1.954 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 65 0.298 1.645 -10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.048 3.145 -9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.770 2.987 -11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.239 0.659 -9.483 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.479 1.405 -10.473 1.00 0.00 H new ATOM 889 N GLU A 66 0.104 4.618 -9.471 1.00 0.00 N ATOM 890 CA GLU A 66 0.649 5.978 -9.492 1.00 0.00 C ATOM 891 C GLU A 66 1.989 6.069 -8.788 1.00 0.00 C ATOM 892 O GLU A 66 2.189 6.905 -7.905 1.00 0.00 O ATOM 893 CB GLU A 66 -0.337 6.921 -8.832 1.00 0.00 C ATOM 894 CG GLU A 66 -1.737 6.722 -9.346 1.00 0.00 C ATOM 895 CD GLU A 66 -1.921 7.229 -10.760 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.551 6.508 -11.713 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.436 8.350 -10.923 1.00 0.00 O ATOM 0 H GLU A 66 -0.650 4.483 -8.797 1.00 0.00 H new ATOM 0 HA GLU A 66 0.807 6.258 -10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.321 6.765 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.028 7.951 -9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.985 5.661 -9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.437 7.235 -8.687 1.00 0.00 H new ATOM 902 N GLY A 67 2.880 5.173 -9.163 1.00 0.00 N ATOM 903 CA GLY A 67 4.215 5.143 -8.594 1.00 0.00 C ATOM 904 C GLY A 67 4.209 4.933 -7.095 1.00 0.00 C ATOM 905 O GLY A 67 5.206 5.190 -6.422 1.00 0.00 O ATOM 0 H GLY A 67 2.704 4.452 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.788 4.345 -9.066 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.724 6.079 -8.823 1.00 0.00 H new ATOM 909 N GLY A 68 3.078 4.479 -6.569 1.00 0.00 N ATOM 910 CA GLY A 68 2.977 4.241 -5.150 1.00 0.00 C ATOM 911 C GLY A 68 1.879 5.047 -4.485 1.00 0.00 C ATOM 912 O GLY A 68 1.522 4.777 -3.343 1.00 0.00 O ATOM 0 H GLY A 68 2.233 4.273 -7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.795 3.180 -4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.930 4.481 -4.679 1.00 0.00 H new ATOM 916 N ARG A 69 1.326 6.030 -5.189 1.00 0.00 N ATOM 917 CA ARG A 69 0.268 6.853 -4.613 1.00 0.00 C ATOM 918 C ARG A 69 -1.063 6.110 -4.630 1.00 0.00 C ATOM 919 O ARG A 69 -1.970 6.409 -3.851 1.00 0.00 O ATOM 920 CB ARG A 69 0.112 8.169 -5.375 1.00 0.00 C ATOM 921 CG ARG A 69 1.298 9.114 -5.268 1.00 0.00 C ATOM 922 CD ARG A 69 0.842 10.498 -4.830 1.00 0.00 C ATOM 923 NE ARG A 69 1.718 11.563 -5.317 1.00 0.00 N ATOM 924 CZ ARG A 69 1.601 12.136 -6.519 1.00 0.00 C ATOM 925 NH1 ARG A 69 0.674 11.717 -7.375 1.00 0.00 N ATOM 926 NH2 ARG A 69 2.405 13.136 -6.857 1.00 0.00 N ATOM 0 H ARG A 69 1.587 6.274 -6.144 1.00 0.00 H new ATOM 0 HA ARG A 69 0.553 7.070 -3.583 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.061 7.944 -6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.777 8.682 -5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.020 8.720 -4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.805 9.180 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.171 10.673 -5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.803 10.535 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 69 2.464 11.888 -4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.048 10.955 -7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.589 12.158 -8.291 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.112 13.467 -6.200 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.317 13.574 -7.774 1.00 0.00 H new ATOM 937 N LYS A 70 -1.163 5.131 -5.513 1.00 0.00 N ATOM 938 CA LYS A 70 -2.384 4.356 -5.663 1.00 0.00 C ATOM 939 C LYS A 70 -2.067 2.869 -5.672 1.00 0.00 C ATOM 940 O LYS A 70 -1.217 2.420 -6.442 1.00 0.00 O ATOM 941 CB LYS A 70 -3.065 4.743 -6.973 1.00 0.00 C ATOM 942 CG LYS A 70 -4.514 4.290 -7.094 1.00 0.00 C ATOM 943 CD LYS A 70 -5.466 5.291 -6.456 1.00 0.00 C ATOM 944 CE LYS A 70 -6.913 4.832 -6.570 1.00 0.00 C ATOM 945 NZ LYS A 70 -7.876 5.914 -6.231 1.00 0.00 N ATOM 0 H LYS A 70 -0.409 4.852 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.048 4.567 -4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.027 5.827 -7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.496 4.321 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.770 4.162 -8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.633 3.317 -6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.207 5.424 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.352 6.262 -6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.103 4.485 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.076 3.982 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.655 5.521 -5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.389 6.653 -5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.258 6.325 -7.106 1.00 0.00 H new ATOM 955 N LEU A 71 -2.744 2.117 -4.820 1.00 0.00 N ATOM 956 CA LEU A 71 -2.541 0.678 -4.740 1.00 0.00 C ATOM 957 C LEU A 71 -3.768 -0.038 -5.284 1.00 0.00 C ATOM 958 O LEU A 71 -4.878 0.161 -4.790 1.00 0.00 O ATOM 959 CB LEU A 71 -2.265 0.264 -3.286 1.00 0.00 C ATOM 960 CG LEU A 71 -1.958 -1.221 -3.047 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.075 -1.380 -1.819 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.244 -2.014 -2.859 1.00 0.00 C ATOM 0 H LEU A 71 -3.442 2.480 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.677 0.398 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.424 0.851 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.131 0.535 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.434 -1.607 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.863 -2.437 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.140 -0.841 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.589 -0.976 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.003 -3.064 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.789 -1.625 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.862 -1.922 -3.752 1.00 0.00 H new ATOM 973 N THR A 72 -3.573 -0.849 -6.306 1.00 0.00 N ATOM 974 CA THR A 72 -4.665 -1.591 -6.901 1.00 0.00 C ATOM 975 C THR A 72 -4.543 -3.075 -6.591 1.00 0.00 C ATOM 976 O THR A 72 -3.454 -3.651 -6.645 1.00 0.00 O ATOM 977 CB THR A 72 -4.721 -1.381 -8.423 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.396 -1.401 -8.967 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.404 -0.063 -8.759 1.00 0.00 C ATOM 0 H THR A 72 -2.665 -1.010 -6.742 1.00 0.00 H new ATOM 0 HA THR A 72 -5.590 -1.212 -6.466 1.00 0.00 H new ATOM 0 HB THR A 72 -5.302 -2.191 -8.864 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.444 -1.429 -9.945 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.433 0.066 -9.841 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.421 -0.070 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.848 0.760 -8.310 1.00 0.00 H new ATOM 987 N CYS A 73 -5.664 -3.676 -6.243 1.00 0.00 N ATOM 988 CA CYS A 73 -5.715 -5.088 -5.918 1.00 0.00 C ATOM 989 C CYS A 73 -7.154 -5.559 -5.978 1.00 0.00 C ATOM 990 O CYS A 73 -8.070 -4.749 -6.104 1.00 0.00 O ATOM 991 CB CYS A 73 -5.138 -5.333 -4.522 1.00 0.00 C ATOM 992 SG CYS A 73 -5.905 -4.338 -3.220 1.00 0.00 S ATOM 0 H CYS A 73 -6.564 -3.200 -6.178 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.118 -5.647 -6.639 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.253 -6.388 -4.273 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.068 -5.125 -4.541 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.352 -4.618 -2.077 1.00 0.00 H new ATOM 997 N ARG A 74 -7.366 -6.854 -5.921 1.00 0.00 N ATOM 998 CA ARG A 74 -8.717 -7.370 -5.954 1.00 0.00 C ATOM 999 C ARG A 74 -9.156 -7.806 -4.569 1.00 0.00 C ATOM 1000 O ARG A 74 -8.744 -8.862 -4.084 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.842 -8.530 -6.937 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.233 -9.138 -6.967 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.257 -10.455 -7.718 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.620 -10.948 -7.891 1.00 0.00 N ATOM 1005 CZ ARG A 74 -12.010 -12.190 -7.608 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.159 -13.060 -7.076 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.264 -12.559 -7.841 1.00 0.00 N ATOM 0 H ARG A 74 -6.634 -7.561 -5.853 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.371 -6.567 -6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.583 -8.181 -7.937 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.120 -9.302 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.583 -9.295 -5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.925 -8.439 -7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.789 -10.327 -8.694 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.668 -11.195 -7.176 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.319 -10.299 -8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.198 -12.779 -6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.466 -14.009 -6.863 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.927 -11.892 -8.236 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.564 -13.510 -7.625 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.973 -6.980 -3.907 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.498 -7.291 -2.584 1.00 0.00 C ATOM 1020 C PRO A 75 -11.461 -8.459 -2.669 1.00 0.00 C ATOM 1021 O PRO A 75 -12.495 -8.367 -3.334 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.237 -6.015 -2.178 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.593 -5.365 -3.466 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.462 -5.683 -4.403 1.00 0.00 C ATOM 0 HA PRO A 75 -9.724 -7.574 -1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.126 -6.241 -1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.606 -5.368 -1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.539 -5.746 -3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.710 -4.288 -3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.801 -5.749 -5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.685 -4.920 -4.370 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.108 -9.556 -2.027 1.00 0.00 N ATOM 1030 CA LYS A 76 -11.930 -10.747 -2.050 1.00 0.00 C ATOM 1031 C LYS A 76 -12.414 -11.115 -0.658 1.00 0.00 C ATOM 1032 O LYS A 76 -11.711 -10.920 0.330 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.163 -11.909 -2.695 1.00 0.00 C ATOM 1034 CG LYS A 76 -9.728 -12.075 -2.195 1.00 0.00 C ATOM 1035 CD LYS A 76 -9.646 -12.847 -0.887 1.00 0.00 C ATOM 1036 CE LYS A 76 -9.674 -14.348 -1.106 1.00 0.00 C ATOM 1037 NZ LYS A 76 -8.468 -14.836 -1.826 1.00 0.00 N ATOM 0 H LYS A 76 -10.252 -9.645 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.813 -10.539 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.708 -12.835 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.143 -11.760 -3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.141 -12.592 -2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.279 -11.091 -2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.730 -12.575 -0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.478 -12.559 -0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.748 -14.852 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.566 -14.613 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.167 -15.746 -1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.692 -14.961 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.700 -14.142 -1.726 1.00 0.00 H new ATOM 1047 N THR A 77 -13.626 -11.638 -0.585 1.00 0.00 N ATOM 1048 CA THR A 77 -14.188 -12.039 0.685 1.00 0.00 C ATOM 1049 C THR A 77 -13.593 -13.367 1.105 1.00 0.00 C ATOM 1050 O THR A 77 -13.399 -14.260 0.266 1.00 0.00 O ATOM 1051 CB THR A 77 -15.723 -12.180 0.630 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.234 -12.403 1.948 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.135 -13.337 -0.275 1.00 0.00 C ATOM 0 H THR A 77 -14.235 -11.793 -1.389 1.00 0.00 H new ATOM 0 HA THR A 77 -13.946 -11.258 1.405 1.00 0.00 H new ATOM 0 HB THR A 77 -16.136 -11.257 0.222 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.211 -12.332 1.936 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.222 -13.414 -0.295 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.765 -13.159 -1.285 1.00 0.00 H new ATOM 0 HG23 THR A 77 -15.713 -14.266 0.108 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.321 -13.492 2.398 1.00 0.00 N ATOM 1062 CA VAL A 78 -12.750 -14.706 2.957 1.00 0.00 C ATOM 1063 C VAL A 78 -13.793 -15.817 3.041 1.00 0.00 C ATOM 1064 O VAL A 78 -13.493 -16.927 3.473 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.156 -14.461 4.361 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.007 -13.468 4.290 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -13.226 -13.976 5.331 1.00 0.00 C ATOM 0 H VAL A 78 -13.490 -12.757 3.084 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.949 -15.014 2.285 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.769 -15.410 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.602 -13.308 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.226 -13.862 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.369 -12.521 3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.780 -13.811 6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.653 -13.042 4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.012 -14.727 5.411 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.023 -15.506 2.639 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.104 -16.485 2.656 1.00 0.00 C ATOM 1079 C ASP A 79 -15.850 -17.563 1.616 1.00 0.00 C ATOM 1080 O ASP A 79 -16.228 -18.717 1.792 1.00 0.00 O ATOM 1081 CB ASP A 79 -17.456 -15.825 2.378 1.00 0.00 C ATOM 1082 CG ASP A 79 -17.856 -14.820 3.436 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -17.416 -14.961 4.597 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -18.608 -13.880 3.111 1.00 0.00 O ATOM 0 H ASP A 79 -15.295 -14.584 2.298 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.132 -16.930 3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.418 -15.327 1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.223 -16.597 2.310 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.210 -17.174 0.528 1.00 0.00 N ATOM 1089 CA GLY A 80 -14.914 -18.116 -0.530 1.00 0.00 C ATOM 1090 C GLY A 80 -13.808 -17.632 -1.443 1.00 0.00 C ATOM 1091 O GLY A 80 -13.326 -18.378 -2.292 1.00 0.00 O ATOM 0 H GLY A 80 -14.889 -16.221 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.627 -19.072 -0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.815 -18.293 -1.118 1.00 0.00 H new ATOM 1095 N GLY A 81 -13.413 -16.375 -1.281 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.358 -15.825 -2.100 1.00 0.00 C ATOM 1097 C GLY A 81 -12.898 -15.181 -3.347 1.00 0.00 C ATOM 1098 O GLY A 81 -12.174 -14.975 -4.319 1.00 0.00 O ATOM 0 H GLY A 81 -13.806 -15.729 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.797 -15.089 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.659 -16.616 -2.373 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.178 -14.854 -3.313 1.00 0.00 N ATOM 1103 CA PHE A 82 -14.837 -14.243 -4.457 1.00 0.00 C ATOM 1104 C PHE A 82 -15.188 -12.804 -4.146 1.00 0.00 C ATOM 1105 O PHE A 82 -15.468 -12.492 -2.995 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.095 -15.035 -4.847 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.018 -15.344 -3.697 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -17.971 -14.426 -3.283 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -16.934 -16.559 -3.037 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -18.820 -14.716 -2.233 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -17.781 -16.853 -1.987 1.00 0.00 C ATOM 1112 CZ PHE A 82 -18.724 -15.931 -1.583 1.00 0.00 C ATOM 0 H PHE A 82 -14.783 -15.001 -2.505 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.151 -14.261 -5.304 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.647 -14.470 -5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.790 -15.972 -5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.050 -13.474 -3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.197 -17.285 -3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -19.559 -13.993 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.705 -17.805 -1.482 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.386 -16.159 -0.760 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.142 -11.942 -5.159 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.471 -10.524 -5.008 1.00 0.00 C ATOM 1123 C ARG A 83 -15.104 -9.755 -6.272 1.00 0.00 C ATOM 1124 O ARG A 83 -15.013 -10.338 -7.353 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.743 -9.920 -3.821 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.626 -9.123 -2.874 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.506 -10.029 -2.021 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.731 -10.431 -2.713 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.847 -10.813 -2.094 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.922 -10.805 -0.766 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -19.902 -11.193 -2.798 1.00 0.00 N ATOM 0 H ARG A 83 -14.876 -12.205 -6.108 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.545 -10.448 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.263 -10.722 -3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.950 -9.270 -4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.001 -8.508 -2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.254 -8.443 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.942 -10.919 -1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.767 -9.512 -1.097 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.730 -10.418 -3.733 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.120 -10.504 -0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.781 -11.099 -0.302 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -19.862 -11.194 -3.817 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.755 -11.485 -2.321 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.857 -8.457 -6.119 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.535 -7.587 -7.243 1.00 0.00 C ATOM 1144 C GLU A 84 -13.139 -6.992 -7.073 1.00 0.00 C ATOM 1145 O GLU A 84 -12.510 -7.177 -6.039 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.552 -6.442 -7.310 1.00 0.00 C ATOM 1147 CG GLU A 84 -17.006 -6.856 -7.108 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.484 -7.885 -8.111 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.392 -7.628 -9.330 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -17.975 -8.951 -7.684 1.00 0.00 O ATOM 0 H GLU A 84 -14.875 -7.982 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.568 -8.176 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.293 -5.702 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.461 -5.952 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.125 -7.258 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.640 -5.972 -7.175 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.655 -6.291 -8.093 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.344 -5.643 -8.028 1.00 0.00 C ATOM 1157 C ARG A 85 -11.528 -4.143 -7.826 1.00 0.00 C ATOM 1158 O ARG A 85 -12.547 -3.582 -8.231 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.527 -5.910 -9.297 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.123 -5.318 -9.260 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.338 -5.636 -10.524 1.00 0.00 C ATOM 1162 NE ARG A 85 -6.984 -5.081 -10.480 1.00 0.00 N ATOM 1163 CZ ARG A 85 -5.878 -5.823 -10.429 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -5.960 -7.147 -10.476 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -4.683 -5.249 -10.364 1.00 0.00 N ATOM 0 H ARG A 85 -13.148 -6.155 -8.975 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.794 -6.061 -7.185 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.453 -6.987 -9.451 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.061 -5.501 -10.155 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.188 -4.237 -9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.588 -5.707 -8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.283 -6.717 -10.655 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.866 -5.236 -11.390 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.881 -4.066 -10.489 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.871 -7.599 -10.551 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.112 -7.712 -10.437 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.606 -4.232 -10.353 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.842 -5.825 -10.325 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.540 -3.494 -7.221 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.628 -2.058 -6.948 1.00 0.00 C ATOM 1178 C GLN A 86 -9.247 -1.489 -6.579 1.00 0.00 C ATOM 1179 O GLN A 86 -8.238 -2.188 -6.662 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.637 -1.837 -5.807 1.00 0.00 C ATOM 1181 CG GLN A 86 -12.071 -0.391 -5.604 1.00 0.00 C ATOM 1182 CD GLN A 86 -13.137 -0.242 -4.533 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.152 -1.153 -3.570 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -13.949 0.677 -4.573 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.673 -3.932 -6.911 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.967 -1.533 -7.841 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.522 -2.442 -6.002 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.199 -2.203 -4.878 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.203 0.209 -5.332 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.451 0.005 -6.546 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.908 1.361 -5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.664 0.757 -3.850 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.202 -0.217 -6.200 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.951 0.408 -5.815 1.00 0.00 C ATOM 1193 C GLY A 87 -8.131 1.346 -4.638 1.00 0.00 C ATOM 1194 O GLY A 87 -9.214 1.901 -4.445 1.00 0.00 O ATOM 0 H GLY A 87 -10.016 0.396 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.223 -0.362 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.545 0.961 -6.662 1.00 0.00 H new ATOM 1198 N ILE A 88 -7.082 1.522 -3.848 1.00 0.00 N ATOM 1199 CA ILE A 88 -7.135 2.399 -2.686 1.00 0.00 C ATOM 1200 C ILE A 88 -6.011 3.435 -2.754 1.00 0.00 C ATOM 1201 O ILE A 88 -4.922 3.158 -3.265 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.057 1.601 -1.356 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -7.060 2.549 -0.153 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.823 0.705 -1.333 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.093 1.839 1.180 1.00 0.00 C ATOM 0 H ILE A 88 -6.180 1.067 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.096 2.913 -2.703 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.940 0.965 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.172 3.180 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.924 3.209 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.790 0.156 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.870 0.000 -2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.927 1.318 -1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.093 2.575 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.994 1.230 1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.215 1.200 1.274 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.296 4.632 -2.263 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.336 5.726 -2.273 1.00 0.00 C ATOM 1218 C ASP A 89 -4.379 5.617 -1.096 1.00 0.00 C ATOM 1219 O ASP A 89 -4.803 5.605 0.061 1.00 0.00 O ATOM 1220 CB ASP A 89 -6.070 7.068 -2.202 1.00 0.00 C ATOM 1221 CG ASP A 89 -7.211 7.151 -3.190 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -6.970 7.509 -4.357 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -8.356 6.837 -2.805 1.00 0.00 O ATOM 0 H ASP A 89 -7.196 4.872 -1.848 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.765 5.667 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.455 7.216 -1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.365 7.876 -2.396 1.00 0.00 H new ATOM 1227 N LEU A 90 -3.089 5.543 -1.392 1.00 0.00 N ATOM 1228 CA LEU A 90 -2.075 5.447 -0.355 1.00 0.00 C ATOM 1229 C LEU A 90 -1.462 6.804 -0.081 1.00 0.00 C ATOM 1230 O LEU A 90 -0.270 6.928 0.194 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.984 4.482 -0.761 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.451 3.071 -1.060 1.00 0.00 C ATOM 1233 CD1 LEU A 90 -0.248 2.206 -1.320 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.284 2.521 0.088 1.00 0.00 C ATOM 0 H LEU A 90 -2.721 5.548 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.560 5.081 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.482 4.877 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.242 4.441 0.036 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.087 3.078 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.572 1.188 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.306 2.600 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.395 2.203 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.607 1.508 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.684 2.506 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.158 3.155 0.240 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.300 7.812 -0.140 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.875 9.188 0.097 1.00 0.00 C ATOM 1247 C ASN A 91 -1.653 9.426 1.586 1.00 0.00 C ATOM 1248 O ASN A 91 -1.267 10.514 2.004 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.920 10.171 -0.441 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.902 10.318 -1.958 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -2.543 9.260 -2.677 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -3.213 11.387 -2.486 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.293 7.712 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.935 9.353 -0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.911 9.841 -0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.753 11.148 0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.484 12.182 -1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.199 11.477 -3.502 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.889 8.387 2.374 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.735 8.457 3.817 1.00 0.00 C ATOM 1260 C ARG A 92 -0.338 8.032 4.243 1.00 0.00 C ATOM 1261 O ARG A 92 0.078 8.265 5.374 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.760 7.554 4.493 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.192 8.020 4.342 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.069 7.387 5.404 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.728 7.869 6.739 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.590 7.934 7.749 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.846 7.540 7.585 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.191 8.387 8.927 1.00 0.00 N ATOM 0 H ARG A 92 -2.192 7.475 2.031 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.892 9.492 4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.671 6.549 4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.522 7.484 5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.238 9.106 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.564 7.758 3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.115 7.609 5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.959 6.303 5.369 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.770 8.175 6.907 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.155 7.185 6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.503 7.592 8.364 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.224 8.685 9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.850 8.438 9.704 1.00 0.00 H new ATOM 1279 N ILE A 93 0.384 7.399 3.338 1.00 0.00 N ATOM 1280 CA ILE A 93 1.726 6.939 3.644 1.00 0.00 C ATOM 1281 C ILE A 93 2.725 8.016 3.245 1.00 0.00 C ATOM 1282 O ILE A 93 2.892 8.312 2.063 1.00 0.00 O ATOM 1283 CB ILE A 93 2.030 5.597 2.931 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.858 4.628 3.110 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.300 4.961 3.480 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.496 4.389 4.561 1.00 0.00 C ATOM 0 H ILE A 93 0.067 7.192 2.391 1.00 0.00 H new ATOM 0 HA ILE A 93 1.809 6.757 4.715 1.00 0.00 H new ATOM 0 HB ILE A 93 2.174 5.806 1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.013 5.021 2.585 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.108 3.675 2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.489 4.021 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.141 5.636 3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.180 4.770 4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.341 3.694 4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.354 3.967 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.215 5.334 5.026 1.00 0.00 H new ATOM 1297 N GLN A 94 3.362 8.620 4.237 1.00 0.00 N ATOM 1298 CA GLN A 94 4.311 9.694 3.993 1.00 0.00 C ATOM 1299 C GLN A 94 5.667 9.387 4.616 1.00 0.00 C ATOM 1300 O GLN A 94 5.758 8.925 5.753 1.00 0.00 O ATOM 1301 CB GLN A 94 3.765 11.005 4.571 1.00 0.00 C ATOM 1302 CG GLN A 94 4.650 12.221 4.322 1.00 0.00 C ATOM 1303 CD GLN A 94 4.548 12.750 2.904 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.705 13.592 2.606 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.422 12.290 2.025 1.00 0.00 N ATOM 0 H GLN A 94 3.238 8.383 5.221 1.00 0.00 H new ATOM 0 HA GLN A 94 4.445 9.790 2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.780 11.194 4.143 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.628 10.885 5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.375 13.012 5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.687 11.958 4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.109 11.590 2.307 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.409 12.635 1.065 1.00 0.00 H new ATOM 1312 N ASN A 95 6.716 9.626 3.851 1.00 0.00 N ATOM 1313 CA ASN A 95 8.077 9.423 4.315 1.00 0.00 C ATOM 1314 C ASN A 95 8.649 10.739 4.834 1.00 0.00 C ATOM 1315 O ASN A 95 8.738 11.726 4.104 1.00 0.00 O ATOM 1316 CB ASN A 95 8.963 8.860 3.192 1.00 0.00 C ATOM 1317 CG ASN A 95 8.998 9.739 1.951 1.00 0.00 C ATOM 1318 OD1 ASN A 95 8.025 10.415 1.617 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.122 9.732 1.256 1.00 0.00 N ATOM 0 H ASN A 95 6.649 9.966 2.892 1.00 0.00 H new ATOM 0 HA ASN A 95 8.061 8.696 5.127 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.978 8.735 3.568 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.601 7.869 2.916 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.204 10.299 0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.908 9.159 1.563 1.00 0.00 H new ATOM 1325 N VAL A 96 9.023 10.756 6.102 1.00 0.00 N ATOM 1326 CA VAL A 96 9.572 11.949 6.717 1.00 0.00 C ATOM 1327 C VAL A 96 11.025 11.725 7.119 1.00 0.00 C ATOM 1328 O VAL A 96 11.340 10.821 7.893 1.00 0.00 O ATOM 1329 CB VAL A 96 8.732 12.391 7.938 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.604 11.276 8.969 1.00 0.00 C ATOM 1331 CG2 VAL A 96 9.314 13.648 8.566 1.00 0.00 C ATOM 0 H VAL A 96 8.955 9.953 6.727 1.00 0.00 H new ATOM 0 HA VAL A 96 9.535 12.751 5.979 1.00 0.00 H new ATOM 0 HB VAL A 96 7.728 12.619 7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.007 11.626 9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.118 10.413 8.513 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.595 10.990 9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.707 13.941 9.423 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.335 13.452 8.894 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.318 14.453 7.832 1.00 0.00 H new ATOM 1341 N ASN A 97 11.912 12.528 6.538 1.00 0.00 N ATOM 1342 CA ASN A 97 13.346 12.441 6.814 1.00 0.00 C ATOM 1343 C ASN A 97 13.882 11.056 6.483 1.00 0.00 C ATOM 1344 O ASN A 97 14.829 10.577 7.105 1.00 0.00 O ATOM 1345 CB ASN A 97 13.658 12.796 8.273 1.00 0.00 C ATOM 1346 CG ASN A 97 13.753 14.291 8.514 1.00 0.00 C ATOM 1347 OD1 ASN A 97 12.994 15.074 7.762 1.00 0.00 O flip ATOM 1348 ND2 ASN A 97 14.508 14.739 9.375 1.00 0.00 N flip ATOM 0 H ASN A 97 11.661 13.254 5.866 1.00 0.00 H new ATOM 0 HA ASN A 97 13.845 13.169 6.174 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.883 12.379 8.916 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.599 12.327 8.562 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.077 14.104 9.935 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.565 15.746 9.530 1.00 0.00 H new ATOM 1354 N GLY A 98 13.263 10.417 5.505 1.00 0.00 N ATOM 1355 CA GLY A 98 13.689 9.097 5.098 1.00 0.00 C ATOM 1356 C GLY A 98 12.909 7.982 5.768 1.00 0.00 C ATOM 1357 O GLY A 98 12.942 6.844 5.308 1.00 0.00 O ATOM 0 H GLY A 98 12.470 10.791 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.584 9.006 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.748 8.978 5.326 1.00 0.00 H new ATOM 1361 N ARG A 99 12.192 8.293 6.841 1.00 0.00 N ATOM 1362 CA ARG A 99 11.430 7.271 7.546 1.00 0.00 C ATOM 1363 C ARG A 99 10.005 7.224 7.017 1.00 0.00 C ATOM 1364 O ARG A 99 9.297 8.230 7.023 1.00 0.00 O ATOM 1365 CB ARG A 99 11.413 7.514 9.063 1.00 0.00 C ATOM 1366 CG ARG A 99 12.790 7.533 9.716 1.00 0.00 C ATOM 1367 CD ARG A 99 13.449 8.894 9.588 1.00 0.00 C ATOM 1368 NE ARG A 99 14.789 8.928 10.167 1.00 0.00 N ATOM 1369 CZ ARG A 99 15.288 9.986 10.805 1.00 0.00 C ATOM 1370 NH1 ARG A 99 14.517 11.044 11.042 1.00 0.00 N ATOM 1371 NH2 ARG A 99 16.548 9.982 11.224 1.00 0.00 N ATOM 0 H ARG A 99 12.122 9.230 7.237 1.00 0.00 H new ATOM 0 HA ARG A 99 11.921 6.314 7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.918 8.465 9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.811 6.738 9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.697 7.270 10.770 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.423 6.776 9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.506 9.168 8.535 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.826 9.642 10.079 1.00 0.00 H new ATOM 0 HE ARG A 99 15.374 8.097 10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.544 11.045 10.735 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.899 11.854 11.530 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.138 9.167 11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.926 10.794 11.712 1.00 0.00 H new ATOM 1382 N LEU A 100 9.591 6.058 6.553 1.00 0.00 N ATOM 1383 CA LEU A 100 8.249 5.886 6.019 1.00 0.00 C ATOM 1384 C LEU A 100 7.274 5.656 7.166 1.00 0.00 C ATOM 1385 O LEU A 100 7.398 4.679 7.906 1.00 0.00 O ATOM 1386 CB LEU A 100 8.218 4.710 5.038 1.00 0.00 C ATOM 1387 CG LEU A 100 7.012 4.677 4.100 1.00 0.00 C ATOM 1388 CD1 LEU A 100 6.983 5.923 3.240 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.050 3.428 3.231 1.00 0.00 C ATOM 0 H LEU A 100 10.165 5.215 6.535 1.00 0.00 H new ATOM 0 HA LEU A 100 7.954 6.786 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.126 4.736 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.240 3.781 5.608 1.00 0.00 H new ATOM 0 HG LEU A 100 6.103 4.650 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.119 5.887 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.914 6.804 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.895 5.976 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.184 3.419 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.963 3.427 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.030 2.542 3.866 1.00 0.00 H new ATOM 1400 N VAL A 101 6.323 6.566 7.331 1.00 0.00 N ATOM 1401 CA VAL A 101 5.345 6.460 8.411 1.00 0.00 C ATOM 1402 C VAL A 101 3.923 6.591 7.878 1.00 0.00 C ATOM 1403 O VAL A 101 3.687 7.257 6.868 1.00 0.00 O ATOM 1404 CB VAL A 101 5.559 7.560 9.480 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.821 7.218 10.763 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.038 7.787 9.756 1.00 0.00 C ATOM 0 H VAL A 101 6.206 7.385 6.734 1.00 0.00 H new ATOM 0 HA VAL A 101 5.487 5.478 8.862 1.00 0.00 H new ATOM 0 HB VAL A 101 5.148 8.488 9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.986 8.005 11.499 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.754 7.132 10.557 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.192 6.271 11.155 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.152 8.565 10.511 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.487 6.862 10.118 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.536 8.097 8.837 1.00 0.00 H new ATOM 1416 N PHE A 102 2.981 5.939 8.546 1.00 0.00 N ATOM 1417 CA PHE A 102 1.589 6.022 8.157 1.00 0.00 C ATOM 1418 C PHE A 102 0.922 7.186 8.869 1.00 0.00 C ATOM 1419 O PHE A 102 0.960 7.283 10.099 1.00 0.00 O ATOM 1420 CB PHE A 102 0.840 4.725 8.480 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.640 4.937 8.648 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.439 5.272 7.566 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.225 4.826 9.899 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.787 5.496 7.731 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.577 5.044 10.067 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.357 5.381 8.983 1.00 0.00 C ATOM 0 H PHE A 102 3.160 5.349 9.358 1.00 0.00 H new ATOM 0 HA PHE A 102 1.551 6.178 7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.011 4.003 7.682 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.247 4.293 9.394 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.999 5.358 6.583 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.616 4.566 10.752 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.398 5.762 6.881 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.023 4.951 11.046 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.415 5.555 9.113 1.00 0.00 H new ATOM 1435 N GLN A 103 0.306 8.055 8.097 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.384 9.206 8.641 1.00 0.00 C ATOM 1437 C GLN A 103 -1.885 9.078 8.416 1.00 0.00 C ATOM 1438 O GLN A 103 -2.323 9.106 7.251 1.00 0.00 O ATOM 1439 CB GLN A 103 0.147 10.492 8.011 1.00 0.00 C ATOM 1440 CG GLN A 103 0.971 11.354 8.957 1.00 0.00 C ATOM 1441 CD GLN A 103 2.343 10.773 9.239 1.00 0.00 C ATOM 1442 OE1 GLN A 103 2.527 9.997 10.178 1.00 0.00 O ATOM 1443 NE2 GLN A 103 3.325 11.161 8.439 1.00 0.00 N ATOM 1444 OXT GLN A 103 -2.623 8.950 9.414 1.00 0.00 O ATOM 0 H GLN A 103 0.269 7.985 7.080 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.199 9.248 9.714 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.758 10.235 7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.695 11.078 7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.085 12.350 8.528 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.431 11.472 9.897 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.133 11.805 7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 103 4.273 10.816 8.590 1.00 0.00 H new