USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 30 LYS NZ :NH3+ -109:sc= 0.0782 (180deg=-0.0832) USER MOD Set 2.1: A 8 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Set 2.2: A 12 CYS SG : rot 160:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -124:sc= -0.113 (180deg=-0.397) USER MOD Single : A 5 TYR OH : rot -21:sc= 1.23 USER MOD Single : A 11 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.94) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.157 USER MOD Single : A 21 SER OG : rot 180:sc= 0.103 USER MOD Single : A 25 THR OG1 : rot 70:sc= 1.21 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.06 USER MOD Single : A 34 SER OG : rot -1:sc= 1.17 USER MOD Single : A 36 HIS : no HE2:sc= 0.779 K(o=0.78,f=-2.8!) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= -0.023 (180deg=-0.215) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.11 F(o=-2.8,f=-1.1) USER MOD Single : A 50 ASN : amide:sc= 0.989 K(o=0.99,f=-4.4!) USER MOD Single : A 55 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.618 12.214 5.920 1.00 0.00 N ATOM 2 CA VAL A 1 6.319 10.917 5.264 1.00 0.00 C ATOM 3 C VAL A 1 5.364 10.123 6.122 1.00 0.00 C ATOM 4 O VAL A 1 5.095 10.477 7.271 1.00 0.00 O ATOM 5 CB VAL A 1 7.598 10.105 4.992 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.527 10.897 4.044 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.329 9.703 6.295 1.00 0.00 C ATOM 0 H1 VAL A 1 6.387 12.993 5.271 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.049 12.305 6.785 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.628 12.255 6.164 1.00 0.00 H new ATOM 0 HA VAL A 1 5.856 11.125 4.299 1.00 0.00 H new ATOM 0 HB VAL A 1 7.308 9.173 4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.431 10.319 3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.011 11.084 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.794 11.847 4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.224 9.132 6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.611 10.600 6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.667 9.093 6.910 1.00 0.00 H new ATOM 19 N ARG A 2 4.838 9.008 5.570 1.00 0.00 N ATOM 20 CA ARG A 2 4.014 8.066 6.279 1.00 0.00 C ATOM 21 C ARG A 2 4.747 6.757 6.205 1.00 0.00 C ATOM 22 O ARG A 2 5.612 6.565 5.345 1.00 0.00 O ATOM 23 CB ARG A 2 2.605 7.836 5.659 1.00 0.00 C ATOM 24 CG ARG A 2 1.690 9.074 5.681 1.00 0.00 C ATOM 25 CD ARG A 2 1.866 10.018 4.474 1.00 0.00 C ATOM 26 NE ARG A 2 0.678 9.911 3.548 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.228 10.921 3.366 1.00 0.00 C ATOM 28 NH1 ARG A 2 -0.160 12.087 4.070 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.231 10.759 2.453 1.00 0.00 N ATOM 0 H ARG A 2 4.992 8.752 4.595 1.00 0.00 H new ATOM 0 HA ARG A 2 3.848 8.455 7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.725 7.506 4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.113 7.026 6.197 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.652 8.743 5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.880 9.635 6.596 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.975 11.046 4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.779 9.765 3.936 1.00 0.00 H new ATOM 0 HE ARG A 2 0.544 9.042 3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.582 12.226 4.756 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.851 12.820 3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.298 9.894 1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.913 11.503 2.307 1.00 0.00 H new ATOM 43 N ASP A 3 4.372 5.805 7.086 1.00 0.00 N ATOM 44 CA ASP A 3 4.743 4.423 6.983 1.00 0.00 C ATOM 45 C ASP A 3 3.355 3.907 7.118 1.00 0.00 C ATOM 46 O ASP A 3 2.610 4.450 7.938 1.00 0.00 O ATOM 47 CB ASP A 3 5.592 3.870 8.158 1.00 0.00 C ATOM 48 CG ASP A 3 6.835 4.736 8.360 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.690 4.778 7.436 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.947 5.372 9.444 1.00 0.00 O ATOM 0 H ASP A 3 3.790 6.006 7.899 1.00 0.00 H new ATOM 0 HA ASP A 3 5.353 4.177 6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.997 3.855 9.071 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.886 2.841 7.952 1.00 0.00 H new ATOM 55 N GLY A 4 2.919 2.950 6.280 1.00 0.00 N ATOM 56 CA GLY A 4 1.584 2.465 6.443 1.00 0.00 C ATOM 57 C GLY A 4 1.539 1.179 5.722 1.00 0.00 C ATOM 58 O GLY A 4 2.536 0.760 5.132 1.00 0.00 O ATOM 0 H GLY A 4 3.459 2.529 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.341 2.332 7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.859 3.169 6.035 1.00 0.00 H new ATOM 62 N TYR A 5 0.327 0.595 5.664 1.00 0.00 N ATOM 63 CA TYR A 5 -0.045 -0.389 4.688 1.00 0.00 C ATOM 64 C TYR A 5 -0.272 0.410 3.437 1.00 0.00 C ATOM 65 O TYR A 5 -0.899 1.464 3.501 1.00 0.00 O ATOM 66 CB TYR A 5 -1.362 -1.089 5.078 1.00 0.00 C ATOM 67 CG TYR A 5 -1.120 -2.101 6.157 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.533 -3.333 5.834 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.495 -1.848 7.489 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.344 -4.304 6.821 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.316 -2.826 8.475 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.755 -4.063 8.139 1.00 0.00 C ATOM 73 OH TYR A 5 -0.640 -5.079 9.117 1.00 0.00 O ATOM 0 H TYR A 5 -0.422 0.815 6.320 1.00 0.00 H new ATOM 0 HA TYR A 5 0.713 -1.165 4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.086 -0.350 5.421 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.794 -1.577 4.204 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.226 -3.532 4.818 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.924 -0.893 7.753 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.121 -5.245 6.567 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.611 -2.626 9.494 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.585 -5.953 8.676 1.00 0.00 H new ATOM 83 N ILE A 6 0.280 -0.024 2.285 1.00 0.00 N ATOM 84 CA ILE A 6 0.156 0.738 1.069 1.00 0.00 C ATOM 85 C ILE A 6 -1.087 0.241 0.387 1.00 0.00 C ATOM 86 O ILE A 6 -1.378 -0.969 0.355 1.00 0.00 O ATOM 87 CB ILE A 6 1.392 0.801 0.166 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.215 1.777 -1.030 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.818 -0.603 -0.274 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.491 2.048 -1.833 1.00 0.00 C ATOM 0 H ILE A 6 0.807 -0.892 2.192 1.00 0.00 H new ATOM 0 HA ILE A 6 0.071 1.794 1.326 1.00 0.00 H new ATOM 0 HB ILE A 6 2.206 1.219 0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.459 1.372 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.832 2.725 -0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.697 -0.533 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.056 -1.203 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.004 -1.074 -0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.269 2.739 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.246 2.486 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.867 1.112 -2.245 1.00 0.00 H new ATOM 102 N ALA A 7 -1.825 1.263 -0.115 1.00 0.00 N ATOM 103 CA ALA A 7 -3.055 1.176 -0.831 1.00 0.00 C ATOM 104 C ALA A 7 -2.785 1.396 -2.284 1.00 0.00 C ATOM 105 O ALA A 7 -1.701 1.127 -2.787 1.00 0.00 O ATOM 106 CB ALA A 7 -4.087 2.234 -0.388 1.00 0.00 C ATOM 0 H ALA A 7 -1.523 2.231 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.469 0.188 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.001 2.116 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.311 2.103 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.679 3.231 -0.552 1.00 0.00 H new ATOM 112 N GLN A 8 -3.797 1.945 -2.969 1.00 0.00 N ATOM 113 CA GLN A 8 -3.694 2.580 -4.236 1.00 0.00 C ATOM 114 C GLN A 8 -4.549 3.753 -3.853 1.00 0.00 C ATOM 115 O GLN A 8 -5.393 3.546 -2.973 1.00 0.00 O ATOM 116 CB GLN A 8 -4.393 1.815 -5.388 1.00 0.00 C ATOM 117 CG GLN A 8 -3.887 0.370 -5.555 1.00 0.00 C ATOM 118 CD GLN A 8 -4.607 -0.326 -6.712 1.00 0.00 C ATOM 119 OE1 GLN A 8 -3.981 -0.711 -7.705 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.957 -0.487 -6.582 1.00 0.00 N ATOM 0 H GLN A 8 -4.752 1.944 -2.611 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.681 2.728 -4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.467 1.797 -5.204 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.238 2.357 -6.321 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.813 0.375 -5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.050 -0.186 -4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.432 -0.153 -5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.490 -0.941 -7.323 1.00 0.00 H new ATOM 129 N PRO A 9 -4.431 4.947 -4.401 1.00 0.00 N ATOM 130 CA PRO A 9 -5.403 6.002 -4.168 1.00 0.00 C ATOM 131 C PRO A 9 -6.711 5.599 -4.814 1.00 0.00 C ATOM 132 O PRO A 9 -6.661 4.765 -5.716 1.00 0.00 O ATOM 133 CB PRO A 9 -4.797 7.216 -4.887 1.00 0.00 C ATOM 134 CG PRO A 9 -3.287 6.958 -4.844 1.00 0.00 C ATOM 135 CD PRO A 9 -3.206 5.443 -5.026 1.00 0.00 C ATOM 0 HA PRO A 9 -5.602 6.203 -3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.159 7.294 -5.912 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.057 8.148 -4.385 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.761 7.491 -5.636 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.847 7.277 -3.899 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.156 5.169 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.318 5.030 -4.547 1.00 0.00 H new ATOM 143 N GLU A 10 -7.888 6.123 -4.411 1.00 0.00 N ATOM 144 CA GLU A 10 -8.113 7.176 -3.448 1.00 0.00 C ATOM 145 C GLU A 10 -8.358 6.593 -2.088 1.00 0.00 C ATOM 146 O GLU A 10 -8.158 7.256 -1.074 1.00 0.00 O ATOM 147 CB GLU A 10 -9.378 7.982 -3.825 1.00 0.00 C ATOM 148 CG GLU A 10 -9.298 8.588 -5.239 1.00 0.00 C ATOM 149 CD GLU A 10 -10.627 9.255 -5.592 1.00 0.00 C ATOM 150 OE1 GLU A 10 -11.642 8.517 -5.698 1.00 0.00 O ATOM 151 OE2 GLU A 10 -10.640 10.502 -5.768 1.00 0.00 O ATOM 0 H GLU A 10 -8.768 5.778 -4.795 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.230 7.814 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.250 7.332 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.524 8.782 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.490 9.318 -5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.067 7.809 -5.966 1.00 0.00 H new ATOM 158 N ASN A 11 -8.843 5.336 -2.058 1.00 0.00 N ATOM 159 CA ASN A 11 -9.274 4.665 -0.866 1.00 0.00 C ATOM 160 C ASN A 11 -9.123 3.243 -1.311 1.00 0.00 C ATOM 161 O ASN A 11 -9.917 2.801 -2.142 1.00 0.00 O ATOM 162 CB ASN A 11 -10.777 4.964 -0.539 1.00 0.00 C ATOM 163 CG ASN A 11 -11.205 4.453 0.844 1.00 0.00 C ATOM 164 OD1 ASN A 11 -11.640 5.231 1.700 1.00 0.00 O ATOM 165 ND2 ASN A 11 -11.063 3.124 1.083 1.00 0.00 N ATOM 0 H ASN A 11 -8.939 4.764 -2.897 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.728 4.950 0.034 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.947 6.039 -0.591 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.407 4.504 -1.301 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.319 2.739 1.992 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.701 2.510 0.353 1.00 0.00 H new ATOM 172 N CYS A 12 -8.102 2.492 -0.844 1.00 0.00 N ATOM 173 CA CYS A 12 -7.961 1.137 -1.320 1.00 0.00 C ATOM 174 C CYS A 12 -7.056 0.417 -0.375 1.00 0.00 C ATOM 175 O CYS A 12 -6.735 0.941 0.691 1.00 0.00 O ATOM 176 CB CYS A 12 -7.437 1.067 -2.792 1.00 0.00 C ATOM 177 SG CYS A 12 -8.597 0.362 -4.005 1.00 0.00 S ATOM 0 H CYS A 12 -7.402 2.800 -0.169 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.940 0.659 -1.345 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.171 2.074 -3.113 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.521 0.476 -2.805 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.252 0.734 -5.202 1.00 0.00 H new ATOM 182 N VAL A 13 -6.607 -0.789 -0.783 1.00 0.00 N ATOM 183 CA VAL A 13 -5.462 -1.487 -0.274 1.00 0.00 C ATOM 184 C VAL A 13 -4.792 -1.782 -1.583 1.00 0.00 C ATOM 185 O VAL A 13 -5.445 -1.656 -2.620 1.00 0.00 O ATOM 186 CB VAL A 13 -5.716 -2.807 0.435 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.039 -2.538 1.911 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.804 -3.633 -0.275 1.00 0.00 C ATOM 0 H VAL A 13 -7.079 -1.312 -1.521 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.942 -0.907 0.489 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.814 -3.417 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.222 -3.484 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.198 -2.029 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.928 -1.911 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.958 -4.570 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.736 -3.068 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.490 -3.847 -1.297 1.00 0.00 H new ATOM 198 N TYR A 14 -3.497 -2.167 -1.575 1.00 0.00 N ATOM 199 CA TYR A 14 -2.882 -2.809 -2.709 1.00 0.00 C ATOM 200 C TYR A 14 -3.197 -4.272 -2.586 1.00 0.00 C ATOM 201 O TYR A 14 -4.080 -4.672 -1.833 1.00 0.00 O ATOM 202 CB TYR A 14 -1.344 -2.551 -2.835 1.00 0.00 C ATOM 203 CG TYR A 14 -0.954 -1.978 -4.178 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.478 -2.510 -5.373 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.051 -0.906 -4.262 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.165 -1.943 -6.612 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.272 -0.340 -5.503 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.306 -0.841 -6.674 1.00 0.00 C ATOM 209 OH TYR A 14 -0.058 -0.213 -7.912 1.00 0.00 O ATOM 0 H TYR A 14 -2.872 -2.034 -0.780 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.286 -2.385 -3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.030 -1.866 -2.048 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.809 -3.487 -2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.131 -3.369 -5.331 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.399 -0.514 -3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.585 -2.354 -7.518 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.968 0.484 -5.555 1.00 0.00 H new ATOM 0 HH TYR A 14 0.560 0.537 -7.781 1.00 0.00 H new ATOM 219 N HIS A 15 -2.487 -5.126 -3.331 1.00 0.00 N ATOM 220 CA HIS A 15 -2.596 -6.537 -3.192 1.00 0.00 C ATOM 221 C HIS A 15 -1.144 -6.818 -3.241 1.00 0.00 C ATOM 222 O HIS A 15 -0.369 -5.910 -3.556 1.00 0.00 O ATOM 223 CB HIS A 15 -3.373 -7.250 -4.319 1.00 0.00 C ATOM 224 CG HIS A 15 -4.855 -7.053 -4.157 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.517 -5.935 -4.592 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.753 -7.805 -3.473 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.774 -6.006 -4.180 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.946 -7.131 -3.500 1.00 0.00 N ATOM 0 H HIS A 15 -1.822 -4.830 -4.046 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.156 -6.881 -2.322 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.054 -6.863 -5.287 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.140 -8.315 -4.309 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.564 -8.756 -2.997 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.537 -5.265 -4.368 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.817 -7.442 -3.070 1.00 0.00 H new ATOM 237 N CYS A 16 -0.760 -8.050 -2.893 1.00 0.00 N ATOM 238 CA CYS A 16 0.579 -8.449 -2.629 1.00 0.00 C ATOM 239 C CYS A 16 0.582 -9.711 -3.408 1.00 0.00 C ATOM 240 O CYS A 16 -0.485 -10.286 -3.620 1.00 0.00 O ATOM 241 CB CYS A 16 0.778 -8.744 -1.108 1.00 0.00 C ATOM 242 SG CYS A 16 2.225 -9.755 -0.677 1.00 0.00 S ATOM 0 H CYS A 16 -1.426 -8.816 -2.789 1.00 0.00 H new ATOM 0 HA CYS A 16 1.354 -7.725 -2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.853 -7.793 -0.580 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.115 -9.245 -0.735 1.00 0.00 H new ATOM 247 N PHE A 17 1.770 -10.179 -3.834 1.00 0.00 N ATOM 248 CA PHE A 17 1.968 -11.506 -4.311 1.00 0.00 C ATOM 249 C PHE A 17 2.871 -11.949 -3.196 1.00 0.00 C ATOM 250 O PHE A 17 3.906 -11.289 -3.089 1.00 0.00 O ATOM 251 CB PHE A 17 2.769 -11.556 -5.645 1.00 0.00 C ATOM 252 CG PHE A 17 2.315 -10.548 -6.686 1.00 0.00 C ATOM 253 CD1 PHE A 17 0.960 -10.215 -6.898 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.290 -9.918 -7.484 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.599 -9.280 -7.878 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.932 -8.977 -8.457 1.00 0.00 C ATOM 257 CZ PHE A 17 1.583 -8.664 -8.657 1.00 0.00 C ATOM 0 H PHE A 17 2.618 -9.612 -3.845 1.00 0.00 H new ATOM 0 HA PHE A 17 1.058 -12.069 -4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.824 -11.386 -5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.687 -12.558 -6.067 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.194 -10.685 -6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.332 -10.165 -7.343 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.442 -9.035 -8.032 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.694 -8.495 -9.051 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.302 -7.946 -9.413 1.00 0.00 H new ATOM 267 N PRO A 18 2.587 -12.910 -2.318 1.00 0.00 N ATOM 268 CA PRO A 18 3.452 -13.158 -1.171 1.00 0.00 C ATOM 269 C PRO A 18 4.851 -13.616 -1.519 1.00 0.00 C ATOM 270 O PRO A 18 5.057 -14.784 -1.840 1.00 0.00 O ATOM 271 CB PRO A 18 2.696 -14.221 -0.372 1.00 0.00 C ATOM 272 CG PRO A 18 1.234 -13.804 -0.550 1.00 0.00 C ATOM 273 CD PRO A 18 1.198 -13.267 -1.991 1.00 0.00 C ATOM 0 HA PRO A 18 3.633 -12.235 -0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.880 -15.224 -0.758 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.991 -14.224 0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.555 -14.646 -0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.941 -13.042 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.815 -14.020 -2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.542 -12.400 -2.069 1.00 0.00 H new ATOM 281 N GLY A 19 5.826 -12.704 -1.438 1.00 0.00 N ATOM 282 CA GLY A 19 7.199 -12.930 -1.713 1.00 0.00 C ATOM 283 C GLY A 19 7.633 -11.523 -1.527 1.00 0.00 C ATOM 284 O GLY A 19 6.823 -10.697 -1.098 1.00 0.00 O ATOM 0 H GLY A 19 5.639 -11.741 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.671 -13.624 -1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.382 -13.311 -2.718 1.00 0.00 H new ATOM 288 N SER A 20 8.897 -11.197 -1.841 1.00 0.00 N ATOM 289 CA SER A 20 9.442 -9.878 -1.705 1.00 0.00 C ATOM 290 C SER A 20 9.056 -9.067 -2.921 1.00 0.00 C ATOM 291 O SER A 20 8.750 -7.876 -2.824 1.00 0.00 O ATOM 292 CB SER A 20 10.985 -10.016 -1.585 1.00 0.00 C ATOM 293 OG SER A 20 11.429 -11.225 -2.216 1.00 0.00 O ATOM 0 H SER A 20 9.567 -11.875 -2.203 1.00 0.00 H new ATOM 0 HA SER A 20 9.057 -9.370 -0.821 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.471 -9.157 -2.048 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.276 -10.018 -0.535 1.00 0.00 H new ATOM 0 HG SER A 20 12.403 -11.298 -2.134 1.00 0.00 H new ATOM 299 N SER A 21 9.070 -9.733 -4.094 1.00 0.00 N ATOM 300 CA SER A 21 9.044 -9.193 -5.427 1.00 0.00 C ATOM 301 C SER A 21 8.028 -8.116 -5.685 1.00 0.00 C ATOM 302 O SER A 21 8.387 -7.001 -6.067 1.00 0.00 O ATOM 303 CB SER A 21 8.845 -10.350 -6.439 1.00 0.00 C ATOM 304 OG SER A 21 9.456 -11.536 -5.927 1.00 0.00 O ATOM 0 H SER A 21 9.103 -10.752 -4.110 1.00 0.00 H new ATOM 0 HA SER A 21 10.007 -8.697 -5.552 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.782 -10.520 -6.610 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.285 -10.087 -7.401 1.00 0.00 H new ATOM 0 HG SER A 21 9.330 -12.270 -6.564 1.00 0.00 H new ATOM 310 N GLY A 22 6.728 -8.433 -5.502 1.00 0.00 N ATOM 311 CA GLY A 22 5.661 -7.589 -5.986 1.00 0.00 C ATOM 312 C GLY A 22 5.580 -6.328 -5.198 1.00 0.00 C ATOM 313 O GLY A 22 5.628 -5.225 -5.743 1.00 0.00 O ATOM 0 H GLY A 22 6.411 -9.274 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.826 -7.355 -7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.713 -8.123 -5.923 1.00 0.00 H new ATOM 317 N CYS A 23 5.466 -6.467 -3.860 1.00 0.00 N ATOM 318 CA CYS A 23 5.219 -5.344 -2.982 1.00 0.00 C ATOM 319 C CYS A 23 6.359 -4.383 -3.011 1.00 0.00 C ATOM 320 O CYS A 23 6.144 -3.184 -3.159 1.00 0.00 O ATOM 321 CB CYS A 23 5.056 -5.739 -1.501 1.00 0.00 C ATOM 322 SG CYS A 23 3.505 -6.605 -1.173 1.00 0.00 S ATOM 0 H CYS A 23 5.545 -7.362 -3.378 1.00 0.00 H new ATOM 0 HA CYS A 23 4.292 -4.910 -3.356 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.891 -6.374 -1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.104 -4.842 -0.883 1.00 0.00 H new ATOM 327 N ASP A 24 7.602 -4.905 -2.888 1.00 0.00 N ATOM 328 CA ASP A 24 8.782 -4.085 -2.750 1.00 0.00 C ATOM 329 C ASP A 24 8.987 -3.277 -4.007 1.00 0.00 C ATOM 330 O ASP A 24 9.271 -2.084 -3.953 1.00 0.00 O ATOM 331 CB ASP A 24 10.043 -4.930 -2.426 1.00 0.00 C ATOM 332 CG ASP A 24 11.195 -4.070 -1.894 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.924 -3.161 -1.064 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.359 -4.323 -2.301 1.00 0.00 O ATOM 0 H ASP A 24 7.792 -5.907 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 24 8.629 -3.410 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.789 -5.691 -1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.368 -5.454 -3.325 1.00 0.00 H new ATOM 339 N THR A 25 8.768 -3.896 -5.184 1.00 0.00 N ATOM 340 CA THR A 25 8.889 -3.204 -6.451 1.00 0.00 C ATOM 341 C THR A 25 7.843 -2.111 -6.577 1.00 0.00 C ATOM 342 O THR A 25 8.169 -0.991 -6.973 1.00 0.00 O ATOM 343 CB THR A 25 8.770 -4.151 -7.631 1.00 0.00 C ATOM 344 OG1 THR A 25 9.653 -5.256 -7.461 1.00 0.00 O ATOM 345 CG2 THR A 25 9.135 -3.438 -8.949 1.00 0.00 C ATOM 0 H THR A 25 8.506 -4.878 -5.267 1.00 0.00 H new ATOM 0 HA THR A 25 9.883 -2.758 -6.467 1.00 0.00 H new ATOM 0 HB THR A 25 7.737 -4.494 -7.678 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.326 -5.828 -6.736 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.042 -4.138 -9.779 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.460 -2.597 -9.106 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.161 -3.075 -8.894 1.00 0.00 H new ATOM 353 N LEU A 26 6.567 -2.397 -6.210 1.00 0.00 N ATOM 354 CA LEU A 26 5.491 -1.426 -6.286 1.00 0.00 C ATOM 355 C LEU A 26 5.752 -0.295 -5.333 1.00 0.00 C ATOM 356 O LEU A 26 5.533 0.879 -5.629 1.00 0.00 O ATOM 357 CB LEU A 26 4.121 -2.036 -5.932 1.00 0.00 C ATOM 358 CG LEU A 26 3.599 -3.010 -7.009 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.486 -3.907 -6.436 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.143 -2.269 -8.283 1.00 0.00 C ATOM 0 H LEU A 26 6.276 -3.309 -5.857 1.00 0.00 H new ATOM 0 HA LEU A 26 5.462 -1.075 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.199 -2.562 -4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.397 -1.233 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 26 4.427 -3.654 -7.306 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.131 -4.587 -7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.879 -4.484 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.659 -3.286 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.783 -2.992 -9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.340 -1.575 -8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.983 -1.716 -8.702 1.00 0.00 H new ATOM 372 N CYS A 27 6.288 -0.646 -4.152 1.00 0.00 N ATOM 373 CA CYS A 27 6.714 0.286 -3.140 1.00 0.00 C ATOM 374 C CYS A 27 7.768 1.212 -3.684 1.00 0.00 C ATOM 375 O CYS A 27 7.642 2.428 -3.565 1.00 0.00 O ATOM 376 CB CYS A 27 7.263 -0.424 -1.877 1.00 0.00 C ATOM 377 SG CYS A 27 7.205 0.634 -0.413 1.00 0.00 S ATOM 0 H CYS A 27 6.433 -1.620 -3.885 1.00 0.00 H new ATOM 0 HA CYS A 27 5.831 0.856 -2.850 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.684 -1.329 -1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.292 -0.735 -2.057 1.00 0.00 H new ATOM 382 N LYS A 28 8.821 0.659 -4.322 1.00 0.00 N ATOM 383 CA LYS A 28 9.943 1.444 -4.785 1.00 0.00 C ATOM 384 C LYS A 28 9.565 2.352 -5.930 1.00 0.00 C ATOM 385 O LYS A 28 10.060 3.474 -6.021 1.00 0.00 O ATOM 386 CB LYS A 28 11.154 0.576 -5.198 1.00 0.00 C ATOM 387 CG LYS A 28 11.828 -0.082 -3.980 1.00 0.00 C ATOM 388 CD LYS A 28 13.034 -0.973 -4.315 1.00 0.00 C ATOM 389 CE LYS A 28 12.655 -2.275 -5.033 1.00 0.00 C ATOM 390 NZ LYS A 28 13.826 -3.174 -5.147 1.00 0.00 N ATOM 0 H LYS A 28 8.900 -0.338 -4.521 1.00 0.00 H new ATOM 0 HA LYS A 28 10.238 2.053 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.827 -0.197 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.881 1.194 -5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.152 0.701 -3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.087 -0.682 -3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.727 -0.411 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.562 -1.217 -3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.857 -2.778 -4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.267 -2.048 -6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.546 -4.048 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.577 -2.700 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.179 -3.407 -4.197 1.00 0.00 H new ATOM 404 N GLU A 29 8.662 1.907 -6.835 1.00 0.00 N ATOM 405 CA GLU A 29 8.263 2.729 -7.963 1.00 0.00 C ATOM 406 C GLU A 29 7.288 3.808 -7.554 1.00 0.00 C ATOM 407 O GLU A 29 7.268 4.874 -8.167 1.00 0.00 O ATOM 408 CB GLU A 29 7.691 1.924 -9.160 1.00 0.00 C ATOM 409 CG GLU A 29 6.351 1.227 -8.883 1.00 0.00 C ATOM 410 CD GLU A 29 6.019 0.230 -9.990 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.800 -0.743 -10.165 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.975 0.420 -10.667 1.00 0.00 O ATOM 0 H GLU A 29 8.211 0.993 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 29 9.187 3.193 -8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.566 2.598 -10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.422 1.172 -9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.396 0.711 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.558 1.971 -8.808 1.00 0.00 H new ATOM 419 N LYS A 30 6.460 3.576 -6.500 1.00 0.00 N ATOM 420 CA LYS A 30 5.558 4.590 -5.975 1.00 0.00 C ATOM 421 C LYS A 30 6.337 5.568 -5.140 1.00 0.00 C ATOM 422 O LYS A 30 6.054 6.767 -5.141 1.00 0.00 O ATOM 423 CB LYS A 30 4.419 4.022 -5.092 1.00 0.00 C ATOM 424 CG LYS A 30 3.323 3.276 -5.875 1.00 0.00 C ATOM 425 CD LYS A 30 2.507 4.187 -6.812 1.00 0.00 C ATOM 426 CE LYS A 30 1.283 3.513 -7.449 1.00 0.00 C ATOM 427 NZ LYS A 30 0.265 3.169 -6.429 1.00 0.00 N ATOM 0 H LYS A 30 6.413 2.684 -6.007 1.00 0.00 H new ATOM 0 HA LYS A 30 5.100 5.060 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.850 3.343 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.960 4.842 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.784 2.483 -6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.646 2.796 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.174 5.060 -6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.161 4.549 -7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.845 4.179 -8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.595 2.610 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.236 2.137 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.511 3.622 -5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.668 3.506 -6.742 1.00 0.00 H new ATOM 441 N GLY A 31 7.363 5.067 -4.431 1.00 0.00 N ATOM 442 CA GLY A 31 8.349 5.908 -3.806 1.00 0.00 C ATOM 443 C GLY A 31 8.218 5.771 -2.336 1.00 0.00 C ATOM 444 O GLY A 31 8.296 6.754 -1.602 1.00 0.00 O ATOM 0 H GLY A 31 7.515 4.069 -4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.350 5.620 -4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.205 6.947 -4.104 1.00 0.00 H new ATOM 448 N GLY A 32 8.046 4.520 -1.865 1.00 0.00 N ATOM 449 CA GLY A 32 8.326 4.147 -0.508 1.00 0.00 C ATOM 450 C GLY A 32 9.690 3.573 -0.614 1.00 0.00 C ATOM 451 O GLY A 32 10.107 3.157 -1.695 1.00 0.00 O ATOM 0 H GLY A 32 7.705 3.749 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.297 5.005 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.607 3.420 -0.129 1.00 0.00 H new ATOM 455 N THR A 33 10.445 3.551 0.496 1.00 0.00 N ATOM 456 CA THR A 33 11.850 3.238 0.426 1.00 0.00 C ATOM 457 C THR A 33 11.990 1.747 0.364 1.00 0.00 C ATOM 458 O THR A 33 12.839 1.202 -0.344 1.00 0.00 O ATOM 459 CB THR A 33 12.580 3.834 1.609 1.00 0.00 C ATOM 460 OG1 THR A 33 12.343 5.238 1.596 1.00 0.00 O ATOM 461 CG2 THR A 33 14.101 3.581 1.545 1.00 0.00 C ATOM 0 H THR A 33 10.096 3.746 1.434 1.00 0.00 H new ATOM 0 HA THR A 33 12.301 3.672 -0.467 1.00 0.00 H new ATOM 0 HB THR A 33 12.211 3.365 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.803 5.654 2.354 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.581 4.028 2.416 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.291 2.508 1.536 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.506 4.029 0.638 1.00 0.00 H new ATOM 469 N SER A 34 11.146 1.015 1.106 1.00 0.00 N ATOM 470 CA SER A 34 11.134 -0.409 1.033 1.00 0.00 C ATOM 471 C SER A 34 9.790 -0.683 1.600 1.00 0.00 C ATOM 472 O SER A 34 9.156 0.239 2.128 1.00 0.00 O ATOM 473 CB SER A 34 12.258 -1.076 1.854 1.00 0.00 C ATOM 474 OG SER A 34 13.497 -0.865 1.185 1.00 0.00 O ATOM 0 H SER A 34 10.469 1.411 1.759 1.00 0.00 H new ATOM 0 HA SER A 34 11.309 -0.805 0.033 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.294 -0.654 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.064 -2.143 1.963 1.00 0.00 H new ATOM 0 HG SER A 34 13.340 -0.366 0.356 1.00 0.00 H new ATOM 480 N GLY A 35 9.324 -1.940 1.478 1.00 0.00 N ATOM 481 CA GLY A 35 8.002 -2.332 1.820 1.00 0.00 C ATOM 482 C GLY A 35 8.111 -3.796 1.628 1.00 0.00 C ATOM 483 O GLY A 35 9.189 -4.261 1.253 1.00 0.00 O ATOM 0 H GLY A 35 9.895 -2.709 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.739 -2.064 2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.252 -1.881 1.170 1.00 0.00 H new ATOM 487 N HIS A 36 7.029 -4.550 1.892 1.00 0.00 N ATOM 488 CA HIS A 36 7.054 -5.984 1.922 1.00 0.00 C ATOM 489 C HIS A 36 5.599 -6.315 1.991 1.00 0.00 C ATOM 490 O HIS A 36 4.777 -5.398 1.914 1.00 0.00 O ATOM 491 CB HIS A 36 7.822 -6.584 3.131 1.00 0.00 C ATOM 492 CG HIS A 36 7.497 -5.975 4.473 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.356 -6.252 5.180 1.00 0.00 N ATOM 494 CD2 HIS A 36 8.219 -5.100 5.213 1.00 0.00 C ATOM 495 CE1 HIS A 36 6.392 -5.570 6.316 1.00 0.00 C ATOM 496 NE2 HIS A 36 7.512 -4.862 6.360 1.00 0.00 N ATOM 0 H HIS A 36 6.110 -4.154 2.090 1.00 0.00 H new ATOM 0 HA HIS A 36 7.583 -6.401 1.066 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.615 -7.653 3.177 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.891 -6.474 2.951 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.607 -6.877 4.883 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.174 -4.671 4.947 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.631 -5.588 7.082 1.00 0.00 H new ATOM 505 N CYS A 37 5.251 -7.615 2.128 1.00 0.00 N ATOM 506 CA CYS A 37 3.887 -8.072 2.172 1.00 0.00 C ATOM 507 C CYS A 37 3.390 -7.903 3.572 1.00 0.00 C ATOM 508 O CYS A 37 4.153 -8.072 4.520 1.00 0.00 O ATOM 509 CB CYS A 37 3.784 -9.573 1.817 1.00 0.00 C ATOM 510 SG CYS A 37 2.120 -10.102 1.307 1.00 0.00 S ATOM 0 H CYS A 37 5.935 -8.367 2.210 1.00 0.00 H new ATOM 0 HA CYS A 37 3.303 -7.497 1.453 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.486 -9.794 1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.092 -10.162 2.681 1.00 0.00 H new ATOM 515 N GLY A 38 2.101 -7.585 3.746 1.00 0.00 N ATOM 516 CA GLY A 38 1.550 -7.467 5.048 1.00 0.00 C ATOM 517 C GLY A 38 0.114 -7.498 4.700 1.00 0.00 C ATOM 518 O GLY A 38 -0.225 -7.374 3.521 1.00 0.00 O ATOM 0 H GLY A 38 1.444 -7.410 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.841 -8.288 5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.842 -6.542 5.546 1.00 0.00 H new ATOM 522 N PHE A 39 -0.735 -7.657 5.722 1.00 0.00 N ATOM 523 CA PHE A 39 -2.148 -7.533 5.665 1.00 0.00 C ATOM 524 C PHE A 39 -2.357 -7.431 7.152 1.00 0.00 C ATOM 525 O PHE A 39 -1.370 -7.244 7.873 1.00 0.00 O ATOM 526 CB PHE A 39 -2.883 -8.739 5.007 1.00 0.00 C ATOM 527 CG PHE A 39 -4.393 -8.610 4.989 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.055 -7.415 4.640 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.164 -9.694 5.443 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.453 -7.335 4.706 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.555 -9.598 5.545 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.200 -8.421 5.163 1.00 0.00 C ATOM 0 H PHE A 39 -0.406 -7.890 6.659 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.540 -6.725 5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.527 -8.853 3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.613 -9.650 5.541 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.482 -6.557 4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.674 -10.616 5.718 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.954 -6.428 4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.129 -10.433 5.919 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.276 -8.351 5.221 1.00 0.00 H new ATOM 542 N LYS A 40 -3.629 -7.544 7.588 1.00 0.00 N ATOM 543 CA LYS A 40 -4.224 -7.264 8.871 1.00 0.00 C ATOM 544 C LYS A 40 -4.838 -5.912 8.649 1.00 0.00 C ATOM 545 O LYS A 40 -4.447 -4.916 9.252 1.00 0.00 O ATOM 546 CB LYS A 40 -3.317 -7.287 10.131 1.00 0.00 C ATOM 547 CG LYS A 40 -4.089 -7.316 11.465 1.00 0.00 C ATOM 548 CD LYS A 40 -4.630 -8.704 11.858 1.00 0.00 C ATOM 549 CE LYS A 40 -3.554 -9.671 12.383 1.00 0.00 C ATOM 550 NZ LYS A 40 -2.953 -9.180 13.647 1.00 0.00 N ATOM 0 H LYS A 40 -4.343 -7.882 6.943 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.909 -8.070 9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.667 -8.161 10.081 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.672 -6.409 10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.433 -6.957 12.258 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.924 -6.618 11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.397 -8.580 12.623 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.114 -9.152 10.991 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.995 -10.654 12.546 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.774 -9.793 11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.401 -9.943 14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.329 -8.373 13.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.708 -8.879 14.296 1.00 0.00 H new ATOM 564 N VAL A 41 -5.791 -5.836 7.698 1.00 0.00 N ATOM 565 CA VAL A 41 -6.366 -4.608 7.238 1.00 0.00 C ATOM 566 C VAL A 41 -7.796 -5.046 7.073 1.00 0.00 C ATOM 567 O VAL A 41 -8.058 -6.248 7.118 1.00 0.00 O ATOM 568 CB VAL A 41 -5.717 -4.106 5.937 1.00 0.00 C ATOM 569 CG1 VAL A 41 -6.209 -2.708 5.538 1.00 0.00 C ATOM 570 CG2 VAL A 41 -4.181 -4.100 6.094 1.00 0.00 C ATOM 0 H VAL A 41 -6.174 -6.660 7.234 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.234 -3.751 7.899 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.010 -4.789 5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.720 -2.400 4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.288 -2.731 5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.968 -1.998 6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.722 -3.744 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.902 -3.441 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.833 -5.111 6.306 1.00 0.00 H new ATOM 580 N GLY A 42 -8.750 -4.106 6.900 1.00 0.00 N ATOM 581 CA GLY A 42 -10.148 -4.415 6.714 1.00 0.00 C ATOM 582 C GLY A 42 -10.430 -4.138 5.280 1.00 0.00 C ATOM 583 O GLY A 42 -10.939 -3.078 4.935 1.00 0.00 O ATOM 0 H GLY A 42 -8.549 -3.106 6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.356 -5.456 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.775 -3.803 7.362 1.00 0.00 H new ATOM 587 N HIS A 43 -10.064 -5.091 4.411 1.00 0.00 N ATOM 588 CA HIS A 43 -10.184 -5.057 2.985 1.00 0.00 C ATOM 589 C HIS A 43 -9.747 -6.479 2.797 1.00 0.00 C ATOM 590 O HIS A 43 -10.012 -7.290 3.684 1.00 0.00 O ATOM 591 CB HIS A 43 -9.200 -4.126 2.232 1.00 0.00 C ATOM 592 CG HIS A 43 -9.426 -2.636 2.328 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.052 -1.753 3.284 1.00 0.00 N flip ATOM 594 CD2 HIS A 43 -9.854 -1.901 1.253 1.00 0.00 C flip ATOM 595 CE1 HIS A 43 -9.246 -0.497 2.776 1.00 0.00 C flip ATOM 596 NE2 HIS A 43 -9.728 -0.615 1.548 1.00 0.00 N flip ATOM 0 H HIS A 43 -9.647 -5.964 4.734 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.147 -4.703 2.618 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.195 -4.336 2.597 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.220 -4.400 1.177 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.230 -2.302 0.323 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.041 0.431 3.289 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.964 0.160 0.928 1.00 0.00 H new ATOM 605 N GLY A 44 -9.019 -6.823 1.716 1.00 0.00 N ATOM 606 CA GLY A 44 -8.448 -8.125 1.572 1.00 0.00 C ATOM 607 C GLY A 44 -7.112 -7.798 1.016 1.00 0.00 C ATOM 608 O GLY A 44 -7.048 -7.173 -0.041 1.00 0.00 O ATOM 0 H GLY A 44 -8.826 -6.192 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.379 -8.651 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.029 -8.757 0.900 1.00 0.00 H new ATOM 612 N LEU A 45 -6.031 -8.188 1.733 1.00 0.00 N ATOM 613 CA LEU A 45 -4.644 -8.059 1.342 1.00 0.00 C ATOM 614 C LEU A 45 -4.232 -6.607 1.462 1.00 0.00 C ATOM 615 O LEU A 45 -5.062 -5.771 1.817 1.00 0.00 O ATOM 616 CB LEU A 45 -4.373 -8.708 -0.042 1.00 0.00 C ATOM 617 CG LEU A 45 -3.009 -9.397 -0.283 1.00 0.00 C ATOM 618 CD1 LEU A 45 -2.557 -10.364 0.831 1.00 0.00 C ATOM 619 CD2 LEU A 45 -3.083 -10.177 -1.610 1.00 0.00 C ATOM 0 H LEU A 45 -6.131 -8.624 2.650 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.004 -8.624 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.153 -9.448 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.491 -7.933 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.268 -8.597 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.591 -10.795 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.468 -9.820 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.292 -11.161 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.129 -10.670 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.872 -10.926 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.300 -9.487 -2.426 1.00 0.00 H new ATOM 631 N ALA A 46 -2.950 -6.261 1.235 1.00 0.00 N ATOM 632 CA ALA A 46 -2.490 -4.907 1.139 1.00 0.00 C ATOM 633 C ALA A 46 -1.065 -5.189 0.837 1.00 0.00 C ATOM 634 O ALA A 46 -0.732 -6.365 0.680 1.00 0.00 O ATOM 635 CB ALA A 46 -2.604 -4.045 2.417 1.00 0.00 C ATOM 0 H ALA A 46 -2.207 -6.949 1.114 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.070 -4.315 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.224 -3.043 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.649 -3.982 2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.020 -4.501 3.216 1.00 0.00 H new ATOM 641 N CYS A 47 -0.190 -4.158 0.784 1.00 0.00 N ATOM 642 CA CYS A 47 1.228 -4.423 0.949 1.00 0.00 C ATOM 643 C CYS A 47 1.553 -3.482 2.063 1.00 0.00 C ATOM 644 O CYS A 47 0.676 -2.719 2.467 1.00 0.00 O ATOM 645 CB CYS A 47 2.131 -4.075 -0.263 1.00 0.00 C ATOM 646 SG CYS A 47 2.077 -5.247 -1.641 1.00 0.00 S ATOM 0 H CYS A 47 -0.441 -3.181 0.634 1.00 0.00 H new ATOM 0 HA CYS A 47 1.409 -5.487 1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.846 -3.091 -0.635 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.161 -3.998 0.085 1.00 0.00 H new ATOM 651 N TRP A 48 2.804 -3.480 2.571 1.00 0.00 N ATOM 652 CA TRP A 48 3.281 -2.543 3.565 1.00 0.00 C ATOM 653 C TRP A 48 4.332 -1.724 2.857 1.00 0.00 C ATOM 654 O TRP A 48 4.951 -2.227 1.920 1.00 0.00 O ATOM 655 CB TRP A 48 3.878 -3.274 4.806 1.00 0.00 C ATOM 656 CG TRP A 48 4.542 -2.389 5.848 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.852 -2.007 5.885 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.892 -1.708 6.938 1.00 0.00 C ATOM 659 NE1 TRP A 48 6.059 -1.106 6.897 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.869 -0.902 7.560 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.577 -1.727 7.394 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.542 -0.087 8.639 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.252 -0.921 8.496 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.219 -0.108 9.106 1.00 0.00 C ATOM 0 H TRP A 48 3.514 -4.153 2.283 1.00 0.00 H new ATOM 0 HA TRP A 48 2.472 -1.924 3.954 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.079 -3.835 5.291 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.611 -4.001 4.456 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.617 -2.364 5.212 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.948 -0.660 7.122 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.830 -2.343 6.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.285 0.544 9.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.243 -0.927 8.880 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.941 0.510 9.947 1.00 0.00 H new ATOM 675 N CYS A 49 4.554 -0.453 3.293 1.00 0.00 N ATOM 676 CA CYS A 49 5.631 0.378 2.808 1.00 0.00 C ATOM 677 C CYS A 49 6.099 1.225 3.951 1.00 0.00 C ATOM 678 O CYS A 49 5.308 1.602 4.817 1.00 0.00 O ATOM 679 CB CYS A 49 5.226 1.369 1.694 1.00 0.00 C ATOM 680 SG CYS A 49 5.236 0.625 0.048 1.00 0.00 S ATOM 0 H CYS A 49 3.972 0.003 3.996 1.00 0.00 H new ATOM 0 HA CYS A 49 6.380 -0.302 2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.229 1.757 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.908 2.219 1.706 1.00 0.00 H new ATOM 685 N ASN A 50 7.407 1.580 3.938 1.00 0.00 N ATOM 686 CA ASN A 50 7.982 2.533 4.858 1.00 0.00 C ATOM 687 C ASN A 50 8.455 3.687 4.025 1.00 0.00 C ATOM 688 O ASN A 50 9.080 3.491 2.979 1.00 0.00 O ATOM 689 CB ASN A 50 9.237 2.027 5.629 1.00 0.00 C ATOM 690 CG ASN A 50 8.835 1.365 6.953 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.361 0.226 6.981 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.024 2.099 8.088 1.00 0.00 N ATOM 0 H ASN A 50 8.080 1.197 3.274 1.00 0.00 H new ATOM 0 HA ASN A 50 7.215 2.762 5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.785 1.314 5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.910 2.862 5.825 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.771 1.709 8.996 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.418 3.038 8.028 1.00 0.00 H new ATOM 699 N ALA A 51 8.196 4.916 4.534 1.00 0.00 N ATOM 700 CA ALA A 51 8.719 6.179 4.078 1.00 0.00 C ATOM 701 C ALA A 51 8.132 6.541 2.750 1.00 0.00 C ATOM 702 O ALA A 51 8.843 6.695 1.761 1.00 0.00 O ATOM 703 CB ALA A 51 10.258 6.274 4.073 1.00 0.00 C ATOM 0 H ALA A 51 7.569 5.033 5.330 1.00 0.00 H new ATOM 0 HA ALA A 51 8.406 6.916 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.561 7.258 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.635 6.124 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.668 5.507 3.415 1.00 0.00 H new ATOM 709 N LEU A 52 6.790 6.690 2.734 1.00 0.00 N ATOM 710 CA LEU A 52 6.047 7.120 1.575 1.00 0.00 C ATOM 711 C LEU A 52 5.819 8.586 1.793 1.00 0.00 C ATOM 712 O LEU A 52 5.387 8.928 2.894 1.00 0.00 O ATOM 713 CB LEU A 52 4.637 6.479 1.453 1.00 0.00 C ATOM 714 CG LEU A 52 4.655 5.026 0.932 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.300 4.338 1.151 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.026 4.932 -0.557 1.00 0.00 C ATOM 0 H LEU A 52 6.203 6.507 3.548 1.00 0.00 H new ATOM 0 HA LEU A 52 6.606 6.846 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.154 6.499 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.028 7.087 0.784 1.00 0.00 H new ATOM 0 HG LEU A 52 5.426 4.516 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.345 3.316 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.068 4.321 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.523 4.887 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.023 3.887 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.299 5.489 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.019 5.353 -0.712 1.00 0.00 H new ATOM 728 N PRO A 53 6.075 9.487 0.854 1.00 0.00 N ATOM 729 CA PRO A 53 5.828 10.905 1.032 1.00 0.00 C ATOM 730 C PRO A 53 4.356 11.211 0.901 1.00 0.00 C ATOM 731 O PRO A 53 3.545 10.328 0.628 1.00 0.00 O ATOM 732 CB PRO A 53 6.623 11.563 -0.108 1.00 0.00 C ATOM 733 CG PRO A 53 6.683 10.497 -1.209 1.00 0.00 C ATOM 734 CD PRO A 53 6.700 9.186 -0.431 1.00 0.00 C ATOM 0 HA PRO A 53 6.126 11.264 2.017 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.131 12.469 -0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.622 11.849 0.220 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.822 10.558 -1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.573 10.608 -1.828 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.151 8.408 -0.961 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.719 8.823 -0.296 1.00 0.00 H new ATOM 742 N ASP A 54 4.001 12.490 1.088 1.00 0.00 N ATOM 743 CA ASP A 54 2.634 12.951 1.148 1.00 0.00 C ATOM 744 C ASP A 54 1.929 13.004 -0.189 1.00 0.00 C ATOM 745 O ASP A 54 0.753 13.357 -0.244 1.00 0.00 O ATOM 746 CB ASP A 54 2.571 14.383 1.717 1.00 0.00 C ATOM 747 CG ASP A 54 3.216 14.427 3.105 1.00 0.00 C ATOM 748 OD1 ASP A 54 2.711 13.721 4.019 1.00 0.00 O ATOM 749 OD2 ASP A 54 4.229 15.159 3.263 1.00 0.00 O ATOM 0 H ASP A 54 4.683 13.239 1.203 1.00 0.00 H new ATOM 0 HA ASP A 54 2.134 12.218 1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.085 15.072 1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.534 14.713 1.779 1.00 0.00 H new ATOM 754 N ASN A 55 2.606 12.662 -1.310 1.00 0.00 N ATOM 755 CA ASN A 55 1.965 12.646 -2.616 1.00 0.00 C ATOM 756 C ASN A 55 1.375 11.288 -2.876 1.00 0.00 C ATOM 757 O ASN A 55 0.778 11.052 -3.926 1.00 0.00 O ATOM 758 CB ASN A 55 2.889 13.017 -3.811 1.00 0.00 C ATOM 759 CG ASN A 55 4.117 12.102 -3.929 1.00 0.00 C ATOM 760 OD1 ASN A 55 5.115 12.358 -3.249 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.028 11.036 -4.775 1.00 0.00 N ATOM 0 H ASN A 55 3.591 12.397 -1.321 1.00 0.00 H new ATOM 0 HA ASN A 55 1.202 13.423 -2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.315 12.966 -4.736 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.222 14.049 -3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.816 10.395 -4.873 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.174 10.879 -5.310 1.00 0.00 H new ATOM 768 N VAL A 56 1.550 10.355 -1.923 1.00 0.00 N ATOM 769 CA VAL A 56 0.996 9.033 -1.995 1.00 0.00 C ATOM 770 C VAL A 56 -0.220 9.146 -1.112 1.00 0.00 C ATOM 771 O VAL A 56 -0.387 10.143 -0.411 1.00 0.00 O ATOM 772 CB VAL A 56 1.982 7.959 -1.523 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.583 6.579 -2.092 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.407 8.373 -1.968 1.00 0.00 C ATOM 0 H VAL A 56 2.093 10.523 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 56 0.757 8.716 -3.010 1.00 0.00 H new ATOM 0 HB VAL A 56 1.961 7.875 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.292 5.825 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.582 6.319 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.593 6.618 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.124 7.620 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.439 8.456 -3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.662 9.335 -1.523 1.00 0.00 H new ATOM 784 N GLY A 57 -1.102 8.136 -1.099 1.00 0.00 N ATOM 785 CA GLY A 57 -2.184 8.088 -0.171 1.00 0.00 C ATOM 786 C GLY A 57 -2.210 6.624 0.028 1.00 0.00 C ATOM 787 O GLY A 57 -1.762 5.885 -0.852 1.00 0.00 O ATOM 0 H GLY A 57 -1.065 7.343 -1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.983 8.640 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.115 8.479 -0.581 1.00 0.00 H new ATOM 791 N ILE A 58 -2.666 6.189 1.213 1.00 0.00 N ATOM 792 CA ILE A 58 -2.517 4.843 1.677 1.00 0.00 C ATOM 793 C ILE A 58 -3.884 4.441 2.126 1.00 0.00 C ATOM 794 O ILE A 58 -4.868 4.884 1.534 1.00 0.00 O ATOM 795 CB ILE A 58 -1.436 4.731 2.743 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.615 5.740 3.904 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.081 4.930 2.032 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.588 5.521 5.017 1.00 0.00 C ATOM 0 H ILE A 58 -3.156 6.793 1.873 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.164 4.160 0.904 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.496 3.750 3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.522 6.756 3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.620 5.646 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.726 4.858 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.047 4.160 1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.058 5.913 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.750 6.250 5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.698 4.515 5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.417 5.642 4.613 1.00 0.00 H new ATOM 810 N ILE A 59 -3.990 3.548 3.136 1.00 0.00 N ATOM 811 CA ILE A 59 -5.261 2.986 3.524 1.00 0.00 C ATOM 812 C ILE A 59 -6.093 4.076 4.134 1.00 0.00 C ATOM 813 O ILE A 59 -5.617 4.868 4.948 1.00 0.00 O ATOM 814 CB ILE A 59 -5.202 1.819 4.511 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.092 0.802 4.193 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.578 1.116 4.577 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.098 0.238 2.777 1.00 0.00 C ATOM 0 H ILE A 59 -3.198 3.214 3.685 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.688 2.574 2.609 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.953 2.243 5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.127 1.277 4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.173 -0.028 4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.529 0.286 5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.335 1.828 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.841 0.738 3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.275 -0.467 2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.043 -0.274 2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.981 1.051 2.061 1.00 0.00 H new ATOM 829 N VAL A 60 -7.366 4.116 3.716 1.00 0.00 N ATOM 830 CA VAL A 60 -8.426 4.886 4.265 1.00 0.00 C ATOM 831 C VAL A 60 -9.415 3.760 4.151 1.00 0.00 C ATOM 832 O VAL A 60 -9.189 2.838 3.358 1.00 0.00 O ATOM 833 CB VAL A 60 -8.846 6.083 3.412 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.695 7.059 4.253 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.602 6.766 2.803 1.00 0.00 C ATOM 0 H VAL A 60 -7.677 3.557 2.921 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.250 5.366 5.228 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.466 5.742 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.990 7.909 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.586 6.547 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.109 7.412 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.914 7.617 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.948 7.111 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.065 6.053 2.177 1.00 0.00 H new