USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 423 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 Single : A 64 SER OG : rot 180:sc= -0.199 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 79 THR OG1 : rot -117:sc= 0.0552 USER MOD Single : A 81 SER OG : rot -30:sc= 0.396 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN :FLIP amide:sc= -0.783! C(o=-5!,f=-0.78!) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -3.29! C(o=-5.1!,f=-3.3!) USER MOD Single : A 96 ASN : amide:sc= -1.21! C(o=-1.2!,f=-1.8!) USER MOD Single : A 100 CYS SG : rot 180:sc= -0.929 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.822 USER MOD Single : A 105 LYS NZ :NH3+ -110:sc= 1.28 (180deg=-0.33) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -0.321 K(o=-0.32,f=-2.6!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN :FLIP amide:sc= -2.66 F(o=-4.2!,f=-2.7) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 120 SER OG : rot -38:sc= 0.511 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 64 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA SER A 64 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C SER A 64 3.575 0.000 -0.953 1.00 1.00 C ATOM 4 O SER A 64 3.986 0.000 0.206 1.00 1.00 O ATOM 5 CB SER A 64 1.701 1.205 -2.112 1.00 1.00 C ATOM 6 OG SER A 64 2.424 1.224 -3.339 1.00 1.00 O ATOM 0 HA SER A 64 1.816 -0.904 -1.798 1.00 1.00 H new ATOM 0 HB2 SER A 64 0.632 1.184 -2.322 1.00 1.00 H new ATOM 0 HB3 SER A 64 1.900 2.124 -1.560 1.00 1.00 H new ATOM 0 HG SER A 64 2.157 2.007 -3.864 1.00 1.00 H new ATOM 12 N LEU A 65 4.354 0.000 -2.025 1.00 1.00 N ATOM 13 CA LEU A 65 5.801 0.000 -1.899 1.00 1.00 C ATOM 14 C LEU A 65 6.334 1.406 -2.183 1.00 1.00 C ATOM 15 O LEU A 65 5.667 2.206 -2.837 1.00 1.00 O ATOM 16 CB LEU A 65 6.417 -1.082 -2.788 1.00 1.00 C ATOM 17 CG LEU A 65 7.157 -2.207 -2.061 1.00 1.00 C ATOM 18 CD1 LEU A 65 6.247 -3.421 -1.859 1.00 1.00 C ATOM 19 CD2 LEU A 65 8.450 -2.575 -2.791 1.00 1.00 C ATOM 0 H LEU A 65 4.010 0.000 -2.985 1.00 1.00 H new ATOM 0 HA LEU A 65 6.094 -0.253 -0.880 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.623 -1.525 -3.389 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.112 -0.604 -3.479 1.00 1.00 H new ATOM 0 HG LEU A 65 7.438 -1.847 -1.071 1.00 1.00 H new ATOM 0 HD11 LEU A 65 6.797 -4.206 -1.340 1.00 1.00 H new ATOM 0 HD12 LEU A 65 5.381 -3.131 -1.264 1.00 1.00 H new ATOM 0 HD13 LEU A 65 5.914 -3.791 -2.829 1.00 1.00 H new ATOM 0 HD21 LEU A 65 8.956 -3.377 -2.253 1.00 1.00 H new ATOM 0 HD22 LEU A 65 8.215 -2.908 -3.802 1.00 1.00 H new ATOM 0 HD23 LEU A 65 9.102 -1.703 -2.839 1.00 1.00 H new ATOM 31 N PHE A 66 7.531 1.664 -1.678 1.00 1.00 N ATOM 32 CA PHE A 66 8.161 2.959 -1.869 1.00 1.00 C ATOM 33 C PHE A 66 9.534 2.809 -2.527 1.00 1.00 C ATOM 34 O PHE A 66 10.118 1.727 -2.513 1.00 1.00 O ATOM 35 CB PHE A 66 8.338 3.580 -0.482 1.00 1.00 C ATOM 36 CG PHE A 66 7.081 3.527 0.388 1.00 1.00 C ATOM 37 CD1 PHE A 66 5.851 3.625 -0.186 1.00 1.00 C ATOM 38 CD2 PHE A 66 7.192 3.381 1.736 1.00 1.00 C ATOM 39 CE1 PHE A 66 4.685 3.575 0.622 1.00 1.00 C ATOM 40 CE2 PHE A 66 6.025 3.332 2.544 1.00 1.00 C ATOM 41 CZ PHE A 66 4.796 3.429 1.970 1.00 1.00 C ATOM 0 H PHE A 66 8.082 0.998 -1.136 1.00 1.00 H new ATOM 0 HA PHE A 66 7.543 3.581 -2.517 1.00 1.00 H new ATOM 0 HB2 PHE A 66 9.147 3.065 0.035 1.00 1.00 H new ATOM 0 HB3 PHE A 66 8.644 4.620 -0.597 1.00 1.00 H new ATOM 0 HD1 PHE A 66 5.762 3.741 -1.256 1.00 1.00 H new ATOM 0 HD2 PHE A 66 8.168 3.302 2.192 1.00 1.00 H new ATOM 0 HE1 PHE A 66 3.709 3.653 0.166 1.00 1.00 H new ATOM 0 HE2 PHE A 66 6.114 3.218 3.614 1.00 1.00 H new ATOM 0 HZ PHE A 66 3.908 3.390 2.584 1.00 1.00 H new ATOM 51 N VAL A 67 10.010 3.912 -3.087 1.00 1.00 N ATOM 52 CA VAL A 67 11.304 3.917 -3.748 1.00 1.00 C ATOM 53 C VAL A 67 12.216 4.939 -3.067 1.00 1.00 C ATOM 54 O VAL A 67 11.743 5.811 -2.341 1.00 1.00 O ATOM 55 CB VAL A 67 11.126 4.178 -5.245 1.00 1.00 C ATOM 56 CG1 VAL A 67 11.026 2.865 -6.023 1.00 1.00 C ATOM 57 CG2 VAL A 67 9.905 5.063 -5.506 1.00 1.00 C ATOM 0 H VAL A 67 9.523 4.808 -3.096 1.00 1.00 H new ATOM 0 HA VAL A 67 11.783 2.942 -3.657 1.00 1.00 H new ATOM 0 HB VAL A 67 12.009 4.711 -5.599 1.00 1.00 H new ATOM 0 HG11 VAL A 67 10.900 3.080 -7.084 1.00 1.00 H new ATOM 0 HG12 VAL A 67 11.937 2.285 -5.876 1.00 1.00 H new ATOM 0 HG13 VAL A 67 10.170 2.294 -5.664 1.00 1.00 H new ATOM 0 HG21 VAL A 67 9.801 5.233 -6.578 1.00 1.00 H new ATOM 0 HG22 VAL A 67 9.010 4.568 -5.129 1.00 1.00 H new ATOM 0 HG23 VAL A 67 10.033 6.019 -4.998 1.00 1.00 H new ATOM 67 N ALA A 68 13.508 4.797 -3.327 1.00 1.00 N ATOM 68 CA ALA A 68 14.490 5.698 -2.748 1.00 1.00 C ATOM 69 C ALA A 68 14.341 7.083 -3.380 1.00 1.00 C ATOM 70 O ALA A 68 14.267 7.207 -4.601 1.00 1.00 O ATOM 71 CB ALA A 68 15.892 5.116 -2.942 1.00 1.00 C ATOM 0 H ALA A 68 13.897 4.072 -3.930 1.00 1.00 H new ATOM 0 HA ALA A 68 14.327 5.806 -1.676 1.00 1.00 H new ATOM 0 HB1 ALA A 68 16.629 5.791 -2.508 1.00 1.00 H new ATOM 0 HB2 ALA A 68 15.954 4.146 -2.450 1.00 1.00 H new ATOM 0 HB3 ALA A 68 16.092 4.996 -4.007 1.00 1.00 H new ATOM 77 N LEU A 69 14.301 8.090 -2.519 1.00 1.00 N ATOM 78 CA LEU A 69 14.161 9.461 -2.978 1.00 1.00 C ATOM 79 C LEU A 69 15.536 10.005 -3.371 1.00 1.00 C ATOM 80 O LEU A 69 15.852 10.108 -4.555 1.00 1.00 O ATOM 81 CB LEU A 69 13.443 10.308 -1.925 1.00 1.00 C ATOM 82 CG LEU A 69 12.328 11.218 -2.444 1.00 1.00 C ATOM 83 CD1 LEU A 69 11.408 11.662 -1.304 1.00 1.00 C ATOM 84 CD2 LEU A 69 12.904 12.408 -3.213 1.00 1.00 C ATOM 0 H LEU A 69 14.363 7.983 -1.507 1.00 1.00 H new ATOM 0 HA LEU A 69 13.534 9.502 -3.869 1.00 1.00 H new ATOM 0 HB2 LEU A 69 13.020 9.639 -1.176 1.00 1.00 H new ATOM 0 HB3 LEU A 69 14.184 10.927 -1.418 1.00 1.00 H new ATOM 0 HG LEU A 69 11.719 10.647 -3.145 1.00 1.00 H new ATOM 0 HD11 LEU A 69 10.624 12.308 -1.700 1.00 1.00 H new ATOM 0 HD12 LEU A 69 10.956 10.786 -0.839 1.00 1.00 H new ATOM 0 HD13 LEU A 69 11.988 12.209 -0.561 1.00 1.00 H new ATOM 0 HD21 LEU A 69 12.090 13.038 -3.571 1.00 1.00 H new ATOM 0 HD22 LEU A 69 13.550 12.988 -2.554 1.00 1.00 H new ATOM 0 HD23 LEU A 69 13.483 12.046 -4.063 1.00 1.00 H new ATOM 96 N TYR A 70 16.318 10.339 -2.354 1.00 1.00 N ATOM 97 CA TYR A 70 17.652 10.870 -2.578 1.00 1.00 C ATOM 98 C TYR A 70 18.722 9.871 -2.132 1.00 1.00 C ATOM 99 O TYR A 70 18.405 8.841 -1.539 1.00 1.00 O ATOM 100 CB TYR A 70 17.755 12.129 -1.715 1.00 1.00 C ATOM 101 CG TYR A 70 17.020 13.341 -2.292 1.00 1.00 C ATOM 102 CD1 TYR A 70 17.677 14.204 -3.145 1.00 1.00 C ATOM 103 CD2 TYR A 70 15.701 13.571 -1.959 1.00 1.00 C ATOM 104 CE1 TYR A 70 16.985 15.344 -3.688 1.00 1.00 C ATOM 105 CE2 TYR A 70 15.009 14.711 -2.501 1.00 1.00 C ATOM 106 CZ TYR A 70 15.686 15.542 -3.339 1.00 1.00 C ATOM 107 OH TYR A 70 15.033 16.619 -3.852 1.00 1.00 O ATOM 0 H TYR A 70 16.053 10.252 -1.373 1.00 1.00 H new ATOM 0 HA TYR A 70 17.811 11.075 -3.637 1.00 1.00 H new ATOM 0 HB2 TYR A 70 17.355 11.912 -0.725 1.00 1.00 H new ATOM 0 HB3 TYR A 70 18.807 12.383 -1.585 1.00 1.00 H new ATOM 0 HD1 TYR A 70 18.710 14.024 -3.405 1.00 1.00 H new ATOM 0 HD2 TYR A 70 15.187 12.895 -1.291 1.00 1.00 H new ATOM 0 HE1 TYR A 70 17.487 16.027 -4.358 1.00 1.00 H new ATOM 0 HE2 TYR A 70 13.977 14.902 -2.248 1.00 1.00 H new ATOM 0 HH TYR A 70 14.112 16.633 -3.517 1.00 1.00 H new ATOM 117 N ASP A 71 19.966 10.211 -2.435 1.00 1.00 N ATOM 118 CA ASP A 71 21.084 9.357 -2.073 1.00 1.00 C ATOM 119 C ASP A 71 21.517 9.671 -0.640 1.00 1.00 C ATOM 120 O ASP A 71 20.966 10.569 -0.004 1.00 1.00 O ATOM 121 CB ASP A 71 22.282 9.598 -2.993 1.00 1.00 C ATOM 122 CG ASP A 71 22.582 11.069 -3.292 1.00 1.00 C ATOM 123 OD1 ASP A 71 22.033 11.920 -2.560 1.00 1.00 O ATOM 124 OD2 ASP A 71 23.353 11.308 -4.247 1.00 1.00 O ATOM 0 H ASP A 71 20.224 11.066 -2.927 1.00 1.00 H new ATOM 0 HA ASP A 71 20.761 8.320 -2.167 1.00 1.00 H new ATOM 0 HB2 ASP A 71 23.165 9.147 -2.540 1.00 1.00 H new ATOM 0 HB3 ASP A 71 22.107 9.079 -3.936 1.00 1.00 H new ATOM 129 N PHE A 72 22.500 8.915 -0.173 1.00 1.00 N ATOM 130 CA PHE A 72 23.014 9.102 1.173 1.00 1.00 C ATOM 131 C PHE A 72 24.384 9.782 1.148 1.00 1.00 C ATOM 132 O PHE A 72 25.076 9.755 0.131 1.00 1.00 O ATOM 133 CB PHE A 72 23.159 7.712 1.794 1.00 1.00 C ATOM 134 CG PHE A 72 23.273 7.720 3.319 1.00 1.00 C ATOM 135 CD1 PHE A 72 22.165 7.921 4.083 1.00 1.00 C ATOM 136 CD2 PHE A 72 24.481 7.526 3.912 1.00 1.00 C ATOM 137 CE1 PHE A 72 22.271 7.928 5.499 1.00 1.00 C ATOM 138 CE2 PHE A 72 24.587 7.533 5.328 1.00 1.00 C ATOM 139 CZ PHE A 72 23.479 7.734 6.092 1.00 1.00 C ATOM 0 H PHE A 72 22.954 8.171 -0.703 1.00 1.00 H new ATOM 0 HA PHE A 72 22.335 9.734 1.745 1.00 1.00 H new ATOM 0 HB2 PHE A 72 22.299 7.106 1.508 1.00 1.00 H new ATOM 0 HB3 PHE A 72 24.043 7.229 1.377 1.00 1.00 H new ATOM 0 HD1 PHE A 72 21.205 8.075 3.612 1.00 1.00 H new ATOM 0 HD2 PHE A 72 25.360 7.366 3.306 1.00 1.00 H new ATOM 0 HE1 PHE A 72 21.392 8.088 6.105 1.00 1.00 H new ATOM 0 HE2 PHE A 72 25.547 7.379 5.799 1.00 1.00 H new ATOM 0 HZ PHE A 72 23.559 7.739 7.169 1.00 1.00 H new ATOM 149 N VAL A 73 24.735 10.377 2.279 1.00 1.00 N ATOM 150 CA VAL A 73 26.010 11.063 2.399 1.00 1.00 C ATOM 151 C VAL A 73 26.965 10.211 3.237 1.00 1.00 C ATOM 152 O VAL A 73 26.851 8.986 3.263 1.00 1.00 O ATOM 153 CB VAL A 73 25.798 12.465 2.974 1.00 1.00 C ATOM 154 CG1 VAL A 73 25.736 12.427 4.502 1.00 1.00 C ATOM 155 CG2 VAL A 73 26.888 13.425 2.493 1.00 1.00 C ATOM 0 H VAL A 73 24.158 10.398 3.120 1.00 1.00 H new ATOM 0 HA VAL A 73 26.467 11.195 1.418 1.00 1.00 H new ATOM 0 HB VAL A 73 24.840 12.836 2.609 1.00 1.00 H new ATOM 0 HG11 VAL A 73 25.585 13.436 4.885 1.00 1.00 H new ATOM 0 HG12 VAL A 73 24.908 11.791 4.817 1.00 1.00 H new ATOM 0 HG13 VAL A 73 26.671 12.026 4.894 1.00 1.00 H new ATOM 0 HG21 VAL A 73 26.714 14.414 2.916 1.00 1.00 H new ATOM 0 HG22 VAL A 73 27.863 13.059 2.815 1.00 1.00 H new ATOM 0 HG23 VAL A 73 26.865 13.486 1.405 1.00 1.00 H new ATOM 165 N ALA A 74 27.886 10.893 3.903 1.00 1.00 N ATOM 166 CA ALA A 74 28.861 10.214 4.740 1.00 1.00 C ATOM 167 C ALA A 74 28.152 9.150 5.581 1.00 1.00 C ATOM 168 O ALA A 74 26.928 9.169 5.708 1.00 1.00 O ATOM 169 CB ALA A 74 29.598 11.241 5.601 1.00 1.00 C ATOM 0 H ALA A 74 27.977 11.909 3.880 1.00 1.00 H new ATOM 0 HA ALA A 74 29.606 9.707 4.127 1.00 1.00 H new ATOM 0 HB1 ALA A 74 30.329 10.732 6.229 1.00 1.00 H new ATOM 0 HB2 ALA A 74 30.109 11.957 4.957 1.00 1.00 H new ATOM 0 HB3 ALA A 74 28.882 11.768 6.232 1.00 1.00 H new ATOM 175 N SER A 75 28.950 8.248 6.132 1.00 1.00 N ATOM 176 CA SER A 75 28.414 7.179 6.957 1.00 1.00 C ATOM 177 C SER A 75 28.616 7.509 8.437 1.00 1.00 C ATOM 178 O SER A 75 29.166 8.556 8.774 1.00 1.00 O ATOM 179 CB SER A 75 29.071 5.839 6.617 1.00 1.00 C ATOM 180 OG SER A 75 30.481 5.870 6.820 1.00 1.00 O ATOM 0 H SER A 75 29.964 8.235 6.023 1.00 1.00 H new ATOM 0 HA SER A 75 27.347 7.092 6.753 1.00 1.00 H new ATOM 0 HB2 SER A 75 28.633 5.054 7.233 1.00 1.00 H new ATOM 0 HB3 SER A 75 28.860 5.585 5.578 1.00 1.00 H new ATOM 0 HG SER A 75 30.863 4.996 6.594 1.00 1.00 H new ATOM 186 N GLY A 76 28.159 6.595 9.282 1.00 1.00 N ATOM 187 CA GLY A 76 28.283 6.776 10.718 1.00 1.00 C ATOM 188 C GLY A 76 27.152 6.060 11.460 1.00 1.00 C ATOM 189 O GLY A 76 25.980 6.234 11.130 1.00 1.00 O ATOM 0 H GLY A 76 27.703 5.728 8.999 1.00 1.00 H new ATOM 0 HA2 GLY A 76 29.245 6.391 11.055 1.00 1.00 H new ATOM 0 HA3 GLY A 76 28.264 7.839 10.957 1.00 1.00 H new ATOM 193 N ASP A 77 27.544 5.269 12.448 1.00 1.00 N ATOM 194 CA ASP A 77 26.579 4.526 13.240 1.00 1.00 C ATOM 195 C ASP A 77 25.906 3.472 12.357 1.00 1.00 C ATOM 196 O ASP A 77 26.386 3.173 11.265 1.00 1.00 O ATOM 197 CB ASP A 77 25.489 5.449 13.788 1.00 1.00 C ATOM 198 CG ASP A 77 25.164 5.256 15.271 1.00 1.00 C ATOM 199 OD1 ASP A 77 25.528 4.182 15.797 1.00 1.00 O ATOM 200 OD2 ASP A 77 24.560 6.188 15.845 1.00 1.00 O ATOM 0 H ASP A 77 28.517 5.127 12.718 1.00 1.00 H new ATOM 0 HA ASP A 77 27.110 4.062 14.071 1.00 1.00 H new ATOM 0 HB2 ASP A 77 25.796 6.483 13.630 1.00 1.00 H new ATOM 0 HB3 ASP A 77 24.578 5.295 13.209 1.00 1.00 H new ATOM 205 N ASN A 78 24.804 2.938 12.864 1.00 1.00 N ATOM 206 CA ASN A 78 24.060 1.925 12.135 1.00 1.00 C ATOM 207 C ASN A 78 23.357 2.574 10.942 1.00 1.00 C ATOM 208 O ASN A 78 22.137 2.734 10.947 1.00 1.00 O ATOM 209 CB ASN A 78 22.991 1.283 13.022 1.00 1.00 C ATOM 210 CG ASN A 78 23.627 0.375 14.077 1.00 1.00 C ATOM 211 OD1 ASN A 78 23.693 -0.835 13.934 1.00 1.00 O ATOM 212 ND2 ASN A 78 24.088 1.025 15.142 1.00 1.00 N ATOM 0 H ASN A 78 24.409 3.188 13.771 1.00 1.00 H new ATOM 0 HA ASN A 78 24.764 1.160 11.807 1.00 1.00 H new ATOM 0 HB2 ASN A 78 22.405 2.061 13.512 1.00 1.00 H new ATOM 0 HB3 ASN A 78 22.302 0.704 12.407 1.00 1.00 H new ATOM 0 HD21 ASN A 78 24.529 0.509 15.903 1.00 1.00 H new ATOM 0 HD22 ASN A 78 24.000 2.040 15.198 1.00 1.00 H new ATOM 219 N THR A 79 24.156 2.930 9.947 1.00 1.00 N ATOM 220 CA THR A 79 23.625 3.558 8.749 1.00 1.00 C ATOM 221 C THR A 79 24.082 2.798 7.502 1.00 1.00 C ATOM 222 O THR A 79 24.975 1.956 7.576 1.00 1.00 O ATOM 223 CB THR A 79 24.053 5.027 8.756 1.00 1.00 C ATOM 224 OG1 THR A 79 22.827 5.745 8.858 1.00 1.00 O ATOM 225 CG2 THR A 79 24.636 5.473 7.413 1.00 1.00 C ATOM 0 H THR A 79 25.167 2.796 9.946 1.00 1.00 H new ATOM 0 HA THR A 79 22.536 3.522 8.733 1.00 1.00 H new ATOM 0 HB THR A 79 24.790 5.187 9.543 1.00 1.00 H new ATOM 0 HG1 THR A 79 22.701 6.294 8.056 1.00 1.00 H new ATOM 0 HG21 THR A 79 24.924 6.523 7.472 1.00 1.00 H new ATOM 0 HG22 THR A 79 25.513 4.869 7.178 1.00 1.00 H new ATOM 0 HG23 THR A 79 23.887 5.345 6.631 1.00 1.00 H new ATOM 233 N LEU A 80 23.447 3.122 6.385 1.00 1.00 N ATOM 234 CA LEU A 80 23.776 2.481 5.123 1.00 1.00 C ATOM 235 C LEU A 80 23.844 3.539 4.020 1.00 1.00 C ATOM 236 O LEU A 80 22.856 4.217 3.744 1.00 1.00 O ATOM 237 CB LEU A 80 22.794 1.346 4.827 1.00 1.00 C ATOM 238 CG LEU A 80 23.370 0.138 4.085 1.00 1.00 C ATOM 239 CD1 LEU A 80 22.386 -1.034 4.099 1.00 1.00 C ATOM 240 CD2 LEU A 80 23.789 0.516 2.663 1.00 1.00 C ATOM 0 H LEU A 80 22.706 3.820 6.328 1.00 1.00 H new ATOM 0 HA LEU A 80 24.760 2.015 5.178 1.00 1.00 H new ATOM 0 HB2 LEU A 80 22.373 1.001 5.771 1.00 1.00 H new ATOM 0 HB3 LEU A 80 21.970 1.749 4.239 1.00 1.00 H new ATOM 0 HG LEU A 80 24.268 -0.188 4.610 1.00 1.00 H new ATOM 0 HD11 LEU A 80 22.820 -1.880 3.565 1.00 1.00 H new ATOM 0 HD12 LEU A 80 22.179 -1.323 5.129 1.00 1.00 H new ATOM 0 HD13 LEU A 80 21.457 -0.735 3.612 1.00 1.00 H new ATOM 0 HD21 LEU A 80 24.195 -0.361 2.158 1.00 1.00 H new ATOM 0 HD22 LEU A 80 22.922 0.882 2.113 1.00 1.00 H new ATOM 0 HD23 LEU A 80 24.549 1.296 2.703 1.00 1.00 H new ATOM 252 N SER A 81 25.020 3.647 3.420 1.00 1.00 N ATOM 253 CA SER A 81 25.229 4.611 2.353 1.00 1.00 C ATOM 254 C SER A 81 24.832 3.999 1.008 1.00 1.00 C ATOM 255 O SER A 81 25.452 3.039 0.552 1.00 1.00 O ATOM 256 CB SER A 81 26.685 5.080 2.313 1.00 1.00 C ATOM 257 OG SER A 81 27.103 5.632 3.558 1.00 1.00 O ATOM 0 H SER A 81 25.838 3.083 3.652 1.00 1.00 H new ATOM 0 HA SER A 81 24.600 5.479 2.549 1.00 1.00 H new ATOM 0 HB2 SER A 81 27.329 4.240 2.055 1.00 1.00 H new ATOM 0 HB3 SER A 81 26.804 5.826 1.528 1.00 1.00 H new ATOM 0 HG SER A 81 26.336 6.045 4.007 1.00 1.00 H new ATOM 263 N ILE A 82 23.800 4.578 0.412 1.00 1.00 N ATOM 264 CA ILE A 82 23.313 4.101 -0.871 1.00 1.00 C ATOM 265 C ILE A 82 23.563 5.171 -1.936 1.00 1.00 C ATOM 266 O ILE A 82 23.927 6.300 -1.613 1.00 1.00 O ATOM 267 CB ILE A 82 21.848 3.673 -0.762 1.00 1.00 C ATOM 268 CG1 ILE A 82 21.414 3.572 0.702 1.00 1.00 C ATOM 269 CG2 ILE A 82 21.600 2.369 -1.524 1.00 1.00 C ATOM 270 CD1 ILE A 82 22.099 2.395 1.398 1.00 1.00 C ATOM 0 H ILE A 82 23.288 5.373 0.794 1.00 1.00 H new ATOM 0 HA ILE A 82 23.860 3.210 -1.179 1.00 1.00 H new ATOM 0 HB ILE A 82 21.232 4.442 -1.229 1.00 1.00 H new ATOM 0 HG12 ILE A 82 21.658 4.498 1.222 1.00 1.00 H new ATOM 0 HG13 ILE A 82 20.332 3.451 0.757 1.00 1.00 H new ATOM 0 HG21 ILE A 82 20.551 2.087 -1.431 1.00 1.00 H new ATOM 0 HG22 ILE A 82 21.845 2.510 -2.577 1.00 1.00 H new ATOM 0 HG23 ILE A 82 22.226 1.580 -1.108 1.00 1.00 H new ATOM 0 HD11 ILE A 82 21.773 2.347 2.437 1.00 1.00 H new ATOM 0 HD12 ILE A 82 21.833 1.468 0.891 1.00 1.00 H new ATOM 0 HD13 ILE A 82 23.180 2.531 1.363 1.00 1.00 H new ATOM 282 N THR A 83 23.357 4.777 -3.184 1.00 1.00 N ATOM 283 CA THR A 83 23.556 5.687 -4.299 1.00 1.00 C ATOM 284 C THR A 83 22.224 5.978 -4.994 1.00 1.00 C ATOM 285 O THR A 83 21.287 5.187 -4.903 1.00 1.00 O ATOM 286 CB THR A 83 24.605 5.075 -5.228 1.00 1.00 C ATOM 287 OG1 THR A 83 25.583 4.537 -4.342 1.00 1.00 O ATOM 288 CG2 THR A 83 25.369 6.133 -6.027 1.00 1.00 C ATOM 0 H THR A 83 23.054 3.839 -3.448 1.00 1.00 H new ATOM 0 HA THR A 83 23.927 6.654 -3.959 1.00 1.00 H new ATOM 0 HB THR A 83 24.120 4.381 -5.915 1.00 1.00 H new ATOM 0 HG1 THR A 83 26.301 4.119 -4.862 1.00 1.00 H new ATOM 0 HG21 THR A 83 26.101 5.645 -6.670 1.00 1.00 H new ATOM 0 HG22 THR A 83 24.669 6.702 -6.640 1.00 1.00 H new ATOM 0 HG23 THR A 83 25.881 6.807 -5.341 1.00 1.00 H new ATOM 296 N LYS A 84 22.183 7.116 -5.672 1.00 1.00 N ATOM 297 CA LYS A 84 20.982 7.521 -6.381 1.00 1.00 C ATOM 298 C LYS A 84 20.606 6.440 -7.397 1.00 1.00 C ATOM 299 O LYS A 84 21.305 5.437 -7.529 1.00 1.00 O ATOM 300 CB LYS A 84 21.167 8.908 -6.999 1.00 1.00 C ATOM 301 CG LYS A 84 21.632 8.803 -8.453 1.00 1.00 C ATOM 302 CD LYS A 84 23.018 8.162 -8.541 1.00 1.00 C ATOM 303 CE LYS A 84 23.903 8.903 -9.546 1.00 1.00 C ATOM 304 NZ LYS A 84 24.303 8.000 -10.648 1.00 1.00 N ATOM 0 H LYS A 84 22.962 7.770 -5.745 1.00 1.00 H new ATOM 0 HA LYS A 84 20.145 7.615 -5.690 1.00 1.00 H new ATOM 0 HB2 LYS A 84 20.228 9.459 -6.953 1.00 1.00 H new ATOM 0 HB3 LYS A 84 21.897 9.474 -6.420 1.00 1.00 H new ATOM 0 HG2 LYS A 84 20.917 8.212 -9.025 1.00 1.00 H new ATOM 0 HG3 LYS A 84 21.657 9.795 -8.903 1.00 1.00 H new ATOM 0 HD2 LYS A 84 23.490 8.172 -7.559 1.00 1.00 H new ATOM 0 HD3 LYS A 84 22.921 7.118 -8.837 1.00 1.00 H new ATOM 0 HE2 LYS A 84 23.366 9.762 -9.948 1.00 1.00 H new ATOM 0 HE3 LYS A 84 24.790 9.288 -9.043 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 24.903 8.518 -11.321 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 24.834 7.194 -10.261 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 23.454 7.653 -11.138 1.00 1.00 H new ATOM 318 N GLY A 85 19.503 6.682 -8.090 1.00 1.00 N ATOM 319 CA GLY A 85 19.026 5.742 -9.090 1.00 1.00 C ATOM 320 C GLY A 85 19.413 4.308 -8.723 1.00 1.00 C ATOM 321 O GLY A 85 19.981 3.586 -9.540 1.00 1.00 O ATOM 0 H GLY A 85 18.926 7.516 -7.979 1.00 1.00 H new ATOM 0 HA2 GLY A 85 17.942 5.819 -9.179 1.00 1.00 H new ATOM 0 HA3 GLY A 85 19.444 5.998 -10.063 1.00 1.00 H new ATOM 325 N GLU A 86 19.088 3.938 -7.493 1.00 1.00 N ATOM 326 CA GLU A 86 19.394 2.603 -7.008 1.00 1.00 C ATOM 327 C GLU A 86 18.110 1.883 -6.590 1.00 1.00 C ATOM 328 O GLU A 86 17.081 2.519 -6.368 1.00 1.00 O ATOM 329 CB GLU A 86 20.394 2.656 -5.851 1.00 1.00 C ATOM 330 CG GLU A 86 20.982 1.272 -5.570 1.00 1.00 C ATOM 331 CD GLU A 86 21.614 0.678 -6.831 1.00 1.00 C ATOM 332 OE1 GLU A 86 20.861 0.041 -7.597 1.00 1.00 O ATOM 333 OE2 GLU A 86 22.837 0.876 -6.998 1.00 1.00 O ATOM 0 H GLU A 86 18.616 4.539 -6.818 1.00 1.00 H new ATOM 0 HA GLU A 86 19.856 2.040 -7.819 1.00 1.00 H new ATOM 0 HB2 GLU A 86 21.196 3.354 -6.091 1.00 1.00 H new ATOM 0 HB3 GLU A 86 19.900 3.034 -4.956 1.00 1.00 H new ATOM 0 HG2 GLU A 86 21.732 1.345 -4.783 1.00 1.00 H new ATOM 0 HG3 GLU A 86 20.199 0.608 -5.204 1.00 1.00 H new ATOM 340 N LYS A 87 18.213 0.565 -6.495 1.00 1.00 N ATOM 341 CA LYS A 87 17.073 -0.248 -6.108 1.00 1.00 C ATOM 342 C LYS A 87 16.962 -0.270 -4.582 1.00 1.00 C ATOM 343 O LYS A 87 17.491 -1.169 -3.930 1.00 1.00 O ATOM 344 CB LYS A 87 17.169 -1.639 -6.737 1.00 1.00 C ATOM 345 CG LYS A 87 18.615 -1.975 -7.107 1.00 1.00 C ATOM 346 CD LYS A 87 18.749 -3.442 -7.520 1.00 1.00 C ATOM 347 CE LYS A 87 20.118 -3.712 -8.147 1.00 1.00 C ATOM 348 NZ LYS A 87 20.056 -3.553 -9.617 1.00 1.00 N ATOM 0 H LYS A 87 19.068 0.041 -6.679 1.00 1.00 H new ATOM 0 HA LYS A 87 16.149 0.186 -6.489 1.00 1.00 H new ATOM 0 HB2 LYS A 87 16.786 -2.384 -6.040 1.00 1.00 H new ATOM 0 HB3 LYS A 87 16.542 -1.683 -7.628 1.00 1.00 H new ATOM 0 HG2 LYS A 87 18.944 -1.332 -7.924 1.00 1.00 H new ATOM 0 HG3 LYS A 87 19.268 -1.771 -6.258 1.00 1.00 H new ATOM 0 HD2 LYS A 87 18.611 -4.083 -6.649 1.00 1.00 H new ATOM 0 HD3 LYS A 87 17.963 -3.697 -8.231 1.00 1.00 H new ATOM 0 HE2 LYS A 87 20.856 -3.026 -7.732 1.00 1.00 H new ATOM 0 HE3 LYS A 87 20.446 -4.721 -7.898 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 20.994 -3.740 -10.026 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 19.366 -4.225 -10.010 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 19.764 -2.582 -9.849 1.00 1.00 H new ATOM 362 N LEU A 88 16.271 0.731 -4.057 1.00 1.00 N ATOM 363 CA LEU A 88 16.084 0.838 -2.620 1.00 1.00 C ATOM 364 C LEU A 88 14.605 1.092 -2.320 1.00 1.00 C ATOM 365 O LEU A 88 14.056 2.121 -2.712 1.00 1.00 O ATOM 366 CB LEU A 88 17.021 1.897 -2.035 1.00 1.00 C ATOM 367 CG LEU A 88 17.025 2.020 -0.510 1.00 1.00 C ATOM 368 CD1 LEU A 88 17.920 3.175 -0.056 1.00 1.00 C ATOM 369 CD2 LEU A 88 15.601 2.151 0.034 1.00 1.00 C ATOM 0 H LEU A 88 15.834 1.475 -4.601 1.00 1.00 H new ATOM 0 HA LEU A 88 16.353 -0.098 -2.130 1.00 1.00 H new ATOM 0 HB2 LEU A 88 18.036 1.677 -2.365 1.00 1.00 H new ATOM 0 HB3 LEU A 88 16.751 2.865 -2.457 1.00 1.00 H new ATOM 0 HG LEU A 88 17.445 1.104 -0.095 1.00 1.00 H new ATOM 0 HD11 LEU A 88 17.905 3.241 1.032 1.00 1.00 H new ATOM 0 HD12 LEU A 88 18.941 2.999 -0.395 1.00 1.00 H new ATOM 0 HD13 LEU A 88 17.552 4.109 -0.481 1.00 1.00 H new ATOM 0 HD21 LEU A 88 15.633 2.237 1.120 1.00 1.00 H new ATOM 0 HD22 LEU A 88 15.131 3.040 -0.387 1.00 1.00 H new ATOM 0 HD23 LEU A 88 15.023 1.270 -0.243 1.00 1.00 H new ATOM 381 N ARG A 89 14.002 0.137 -1.627 1.00 1.00 N ATOM 382 CA ARG A 89 12.598 0.245 -1.270 1.00 1.00 C ATOM 383 C ARG A 89 12.402 -0.069 0.215 1.00 1.00 C ATOM 384 O ARG A 89 13.184 -0.814 0.804 1.00 1.00 O ATOM 385 CB ARG A 89 11.743 -0.712 -2.103 1.00 1.00 C ATOM 386 CG ARG A 89 11.994 -0.510 -3.599 1.00 1.00 C ATOM 387 CD ARG A 89 11.387 -1.653 -4.416 1.00 1.00 C ATOM 388 NE ARG A 89 11.225 -1.235 -5.827 1.00 1.00 N ATOM 389 CZ ARG A 89 10.159 -0.573 -6.297 1.00 1.00 C ATOM 390 NH1 ARG A 89 9.155 -0.249 -5.472 1.00 1.00 N ATOM 391 NH2 ARG A 89 10.098 -0.235 -7.592 1.00 1.00 N ATOM 0 H ARG A 89 14.460 -0.715 -1.303 1.00 1.00 H new ATOM 0 HA ARG A 89 12.282 1.268 -1.474 1.00 1.00 H new ATOM 0 HB2 ARG A 89 11.971 -1.742 -1.828 1.00 1.00 H new ATOM 0 HB3 ARG A 89 10.688 -0.549 -1.882 1.00 1.00 H new ATOM 0 HG2 ARG A 89 11.563 0.439 -3.919 1.00 1.00 H new ATOM 0 HG3 ARG A 89 13.066 -0.453 -3.787 1.00 1.00 H new ATOM 0 HD2 ARG A 89 12.029 -2.532 -4.360 1.00 1.00 H new ATOM 0 HD3 ARG A 89 10.421 -1.936 -3.999 1.00 1.00 H new ATOM 0 HE ARG A 89 11.972 -1.465 -6.483 1.00 1.00 H new ATOM 0 HH11 ARG A 89 9.202 -0.506 -4.486 1.00 1.00 H new ATOM 0 HH12 ARG A 89 8.343 0.255 -5.830 1.00 1.00 H new ATOM 0 HH21 ARG A 89 10.863 -0.482 -8.220 1.00 1.00 H new ATOM 0 HH22 ARG A 89 9.287 0.269 -7.950 1.00 1.00 H new ATOM 405 N VAL A 90 11.355 0.516 0.777 1.00 1.00 N ATOM 406 CA VAL A 90 11.047 0.308 2.182 1.00 1.00 C ATOM 407 C VAL A 90 10.443 -1.086 2.366 1.00 1.00 C ATOM 408 O VAL A 90 9.734 -1.580 1.491 1.00 1.00 O ATOM 409 CB VAL A 90 10.134 1.426 2.688 1.00 1.00 C ATOM 410 CG1 VAL A 90 9.537 1.072 4.052 1.00 1.00 C ATOM 411 CG2 VAL A 90 10.882 2.760 2.747 1.00 1.00 C ATOM 0 H VAL A 90 10.709 1.134 0.285 1.00 1.00 H new ATOM 0 HA VAL A 90 11.955 0.351 2.783 1.00 1.00 H new ATOM 0 HB VAL A 90 9.312 1.533 1.980 1.00 1.00 H new ATOM 0 HG11 VAL A 90 8.892 1.884 4.389 1.00 1.00 H new ATOM 0 HG12 VAL A 90 8.953 0.156 3.967 1.00 1.00 H new ATOM 0 HG13 VAL A 90 10.341 0.924 4.774 1.00 1.00 H new ATOM 0 HG21 VAL A 90 10.210 3.538 3.110 1.00 1.00 H new ATOM 0 HG22 VAL A 90 11.733 2.671 3.423 1.00 1.00 H new ATOM 0 HG23 VAL A 90 11.237 3.023 1.750 1.00 1.00 H new ATOM 421 N LEU A 91 10.746 -1.680 3.511 1.00 1.00 N ATOM 422 CA LEU A 91 10.242 -3.007 3.822 1.00 1.00 C ATOM 423 C LEU A 91 9.281 -2.918 5.008 1.00 1.00 C ATOM 424 O LEU A 91 8.194 -3.494 4.976 1.00 1.00 O ATOM 425 CB LEU A 91 11.401 -3.983 4.040 1.00 1.00 C ATOM 426 CG LEU A 91 11.635 -5.005 2.927 1.00 1.00 C ATOM 427 CD1 LEU A 91 12.988 -5.699 3.096 1.00 1.00 C ATOM 428 CD2 LEU A 91 10.482 -6.008 2.851 1.00 1.00 C ATOM 0 H LEU A 91 11.334 -1.267 4.235 1.00 1.00 H new ATOM 0 HA LEU A 91 9.674 -3.406 2.981 1.00 1.00 H new ATOM 0 HB2 LEU A 91 12.316 -3.406 4.174 1.00 1.00 H new ATOM 0 HB3 LEU A 91 11.225 -4.523 4.971 1.00 1.00 H new ATOM 0 HG LEU A 91 11.662 -4.473 1.976 1.00 1.00 H new ATOM 0 HD11 LEU A 91 13.130 -6.421 2.292 1.00 1.00 H new ATOM 0 HD12 LEU A 91 13.785 -4.956 3.061 1.00 1.00 H new ATOM 0 HD13 LEU A 91 13.015 -6.215 4.056 1.00 1.00 H new ATOM 0 HD21 LEU A 91 10.674 -6.723 2.051 1.00 1.00 H new ATOM 0 HD22 LEU A 91 10.398 -6.538 3.800 1.00 1.00 H new ATOM 0 HD23 LEU A 91 9.551 -5.478 2.648 1.00 1.00 H new ATOM 440 N GLY A 92 9.716 -2.193 6.028 1.00 1.00 N ATOM 441 CA GLY A 92 8.907 -2.021 7.223 1.00 1.00 C ATOM 442 C GLY A 92 9.161 -0.655 7.865 1.00 1.00 C ATOM 443 O GLY A 92 10.203 -0.043 7.639 1.00 1.00 O ATOM 0 H GLY A 92 10.618 -1.718 6.052 1.00 1.00 H new ATOM 0 HA2 GLY A 92 7.851 -2.117 6.969 1.00 1.00 H new ATOM 0 HA3 GLY A 92 9.136 -2.811 7.938 1.00 1.00 H new ATOM 447 N TYR A 93 8.189 -0.219 8.653 1.00 1.00 N ATOM 448 CA TYR A 93 8.294 1.063 9.329 1.00 1.00 C ATOM 449 C TYR A 93 8.435 0.876 10.841 1.00 1.00 C ATOM 450 O TYR A 93 8.238 -0.224 11.355 1.00 1.00 O ATOM 451 CB TYR A 93 6.985 1.801 9.039 1.00 1.00 C ATOM 452 CG TYR A 93 6.293 1.357 7.749 1.00 1.00 C ATOM 453 CD1 TYR A 93 6.874 1.626 6.526 1.00 1.00 C ATOM 454 CD2 TYR A 93 5.089 0.686 7.808 1.00 1.00 C ATOM 455 CE1 TYR A 93 6.223 1.207 5.312 1.00 1.00 C ATOM 456 CE2 TYR A 93 4.437 0.268 6.594 1.00 1.00 C ATOM 457 CZ TYR A 93 5.037 0.549 5.405 1.00 1.00 C ATOM 458 OH TYR A 93 4.422 0.153 4.259 1.00 1.00 O ATOM 0 H TYR A 93 7.326 -0.730 8.838 1.00 1.00 H new ATOM 0 HA TYR A 93 9.169 1.610 8.979 1.00 1.00 H new ATOM 0 HB2 TYR A 93 6.302 1.651 9.875 1.00 1.00 H new ATOM 0 HB3 TYR A 93 7.188 2.870 8.981 1.00 1.00 H new ATOM 0 HD1 TYR A 93 7.817 2.151 6.480 1.00 1.00 H new ATOM 0 HD2 TYR A 93 4.635 0.474 8.765 1.00 1.00 H new ATOM 0 HE1 TYR A 93 6.667 1.411 4.349 1.00 1.00 H new ATOM 0 HE2 TYR A 93 3.493 -0.256 6.626 1.00 1.00 H new ATOM 0 HH TYR A 93 3.585 -0.306 4.479 1.00 1.00 H new ATOM 468 N ASN A 94 8.774 1.967 11.511 1.00 1.00 N ATOM 469 CA ASN A 94 8.944 1.937 12.954 1.00 1.00 C ATOM 470 C ASN A 94 7.667 2.447 13.624 1.00 1.00 C ATOM 471 O ASN A 94 7.166 1.832 14.564 1.00 1.00 O ATOM 472 CB ASN A 94 10.100 2.838 13.392 1.00 1.00 C ATOM 473 CG ASN A 94 9.612 4.262 13.667 1.00 1.00 C ATOM 474 OD1 ASN A 94 9.366 4.971 12.569 1.00 1.00 O flip ATOM 475 ND2 ASN A 94 9.468 4.688 14.801 1.00 1.00 N flip ATOM 0 H ASN A 94 8.936 2.878 11.081 1.00 1.00 H new ATOM 0 HA ASN A 94 9.158 0.909 13.247 1.00 1.00 H new ATOM 0 HB2 ASN A 94 10.564 2.429 14.289 1.00 1.00 H new ATOM 0 HB3 ASN A 94 10.866 2.856 12.617 1.00 1.00 H new ATOM 0 HD21 ASN A 94 9.675 4.090 15.601 1.00 1.00 H new ATOM 0 HD22 ASN A 94 9.140 5.642 14.949 1.00 1.00 H new ATOM 482 N HIS A 95 7.177 3.568 13.115 1.00 1.00 N ATOM 483 CA HIS A 95 5.968 4.168 13.652 1.00 1.00 C ATOM 484 C HIS A 95 5.976 5.673 13.377 1.00 1.00 C ATOM 485 O HIS A 95 6.987 6.223 12.944 1.00 1.00 O ATOM 486 CB HIS A 95 5.811 3.839 15.138 1.00 1.00 C ATOM 487 CG HIS A 95 4.995 4.849 15.909 1.00 1.00 C ATOM 488 ND1 HIS A 95 3.647 4.957 16.086 1.00 1.00 N flip ATOM 489 CD2 HIS A 95 5.566 5.901 16.603 1.00 1.00 C flip ATOM 490 CE1 HIS A 95 3.408 6.016 16.849 1.00 1.00 C flip ATOM 491 NE2 HIS A 95 4.596 6.603 17.170 1.00 1.00 N flip ATOM 0 H HIS A 95 7.596 4.076 12.336 1.00 1.00 H new ATOM 0 HA HIS A 95 5.096 3.746 13.152 1.00 1.00 H new ATOM 0 HB2 HIS A 95 5.343 2.859 15.235 1.00 1.00 H new ATOM 0 HB3 HIS A 95 6.800 3.766 15.590 1.00 1.00 H new ATOM 0 HD2 HIS A 95 6.623 6.114 16.671 1.00 1.00 H new ATOM 0 HE1 HIS A 95 2.433 6.357 17.164 1.00 1.00 H new ATOM 0 HE2 HIS A 95 4.717 7.436 17.746 1.00 1.00 H new ATOM 499 N ASN A 96 4.836 6.297 13.639 1.00 1.00 N ATOM 500 CA ASN A 96 4.699 7.727 13.424 1.00 1.00 C ATOM 501 C ASN A 96 5.388 8.110 12.113 1.00 1.00 C ATOM 502 O ASN A 96 5.869 9.233 11.966 1.00 1.00 O ATOM 503 CB ASN A 96 5.359 8.519 14.555 1.00 1.00 C ATOM 504 CG ASN A 96 5.185 10.025 14.344 1.00 1.00 C ATOM 505 OD1 ASN A 96 4.230 10.487 13.741 1.00 1.00 O ATOM 506 ND2 ASN A 96 6.159 10.761 14.871 1.00 1.00 N ATOM 0 H ASN A 96 3.999 5.838 13.998 1.00 1.00 H new ATOM 0 HA ASN A 96 3.635 7.963 13.391 1.00 1.00 H new ATOM 0 HB2 ASN A 96 4.921 8.229 15.510 1.00 1.00 H new ATOM 0 HB3 ASN A 96 6.420 8.275 14.603 1.00 1.00 H new ATOM 0 HD21 ASN A 96 6.135 11.777 14.783 1.00 1.00 H new ATOM 0 HD22 ASN A 96 6.930 10.310 15.363 1.00 1.00 H new ATOM 513 N GLY A 97 5.415 7.156 11.195 1.00 1.00 N ATOM 514 CA GLY A 97 6.038 7.379 9.901 1.00 1.00 C ATOM 515 C GLY A 97 7.278 8.266 10.035 1.00 1.00 C ATOM 516 O GLY A 97 7.344 9.340 9.440 1.00 1.00 O ATOM 0 H GLY A 97 5.015 6.226 11.321 1.00 1.00 H new ATOM 0 HA2 GLY A 97 6.317 6.423 9.458 1.00 1.00 H new ATOM 0 HA3 GLY A 97 5.323 7.847 9.225 1.00 1.00 H new ATOM 520 N GLU A 98 8.229 7.783 10.821 1.00 1.00 N ATOM 521 CA GLU A 98 9.463 8.518 11.040 1.00 1.00 C ATOM 522 C GLU A 98 10.597 7.912 10.211 1.00 1.00 C ATOM 523 O GLU A 98 11.145 8.570 9.328 1.00 1.00 O ATOM 524 CB GLU A 98 9.826 8.548 12.526 1.00 1.00 C ATOM 525 CG GLU A 98 9.664 9.956 13.102 1.00 1.00 C ATOM 526 CD GLU A 98 10.929 10.788 12.883 1.00 1.00 C ATOM 527 OE1 GLU A 98 11.509 10.660 11.783 1.00 1.00 O ATOM 528 OE2 GLU A 98 11.288 11.532 13.821 1.00 1.00 O ATOM 0 H GLU A 98 8.170 6.892 11.314 1.00 1.00 H new ATOM 0 HA GLU A 98 9.312 9.547 10.715 1.00 1.00 H new ATOM 0 HB2 GLU A 98 9.190 7.852 13.073 1.00 1.00 H new ATOM 0 HB3 GLU A 98 10.855 8.213 12.660 1.00 1.00 H new ATOM 0 HG2 GLU A 98 8.814 10.450 12.631 1.00 1.00 H new ATOM 0 HG3 GLU A 98 9.446 9.894 14.168 1.00 1.00 H new ATOM 535 N TRP A 99 10.915 6.665 10.524 1.00 1.00 N ATOM 536 CA TRP A 99 11.974 5.963 9.819 1.00 1.00 C ATOM 537 C TRP A 99 11.453 4.573 9.447 1.00 1.00 C ATOM 538 O TRP A 99 10.620 4.008 10.154 1.00 1.00 O ATOM 539 CB TRP A 99 13.254 5.917 10.656 1.00 1.00 C ATOM 540 CG TRP A 99 14.026 7.237 10.683 1.00 1.00 C ATOM 541 CD1 TRP A 99 13.618 8.423 11.155 1.00 1.00 C ATOM 542 CD2 TRP A 99 15.367 7.459 10.196 1.00 1.00 C ATOM 543 NE1 TRP A 99 14.593 9.389 11.009 1.00 1.00 N ATOM 544 CE2 TRP A 99 15.690 8.784 10.407 1.00 1.00 C ATOM 545 CE3 TRP A 99 16.276 6.570 9.597 1.00 1.00 C ATOM 546 CZ2 TRP A 99 16.925 9.338 10.049 1.00 1.00 C ATOM 547 CZ3 TRP A 99 17.506 7.139 9.245 1.00 1.00 C ATOM 548 CH2 TRP A 99 17.846 8.471 9.451 1.00 1.00 C ATOM 0 H TRP A 99 10.458 6.122 11.257 1.00 1.00 H new ATOM 0 HA TRP A 99 12.244 6.491 8.904 1.00 1.00 H new ATOM 0 HB2 TRP A 99 12.998 5.636 11.678 1.00 1.00 H new ATOM 0 HB3 TRP A 99 13.905 5.135 10.264 1.00 1.00 H new ATOM 0 HD1 TRP A 99 12.648 8.601 11.595 1.00 1.00 H new ATOM 0 HE1 TRP A 99 14.522 10.367 11.291 1.00 1.00 H new ATOM 0 HE3 TRP A 99 16.044 5.530 9.422 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 17.154 10.379 10.225 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 18.242 6.499 8.781 1.00 1.00 H new ATOM 0 HH2 TRP A 99 18.817 8.835 9.151 1.00 1.00 H new ATOM 559 N CYS A 100 11.966 4.061 8.337 1.00 1.00 N ATOM 560 CA CYS A 100 11.563 2.748 7.863 1.00 1.00 C ATOM 561 C CYS A 100 12.818 1.988 7.430 1.00 1.00 C ATOM 562 O CYS A 100 13.715 2.563 6.814 1.00 1.00 O ATOM 563 CB CYS A 100 10.536 2.845 6.733 1.00 1.00 C ATOM 564 SG CYS A 100 9.333 4.177 7.094 1.00 1.00 S ATOM 0 H CYS A 100 12.657 4.532 7.753 1.00 1.00 H new ATOM 0 HA CYS A 100 11.069 2.204 8.668 1.00 1.00 H new ATOM 0 HB2 CYS A 100 11.041 3.046 5.788 1.00 1.00 H new ATOM 0 HB3 CYS A 100 10.015 1.894 6.621 1.00 1.00 H new ATOM 0 HG CYS A 100 8.466 4.253 6.128 1.00 1.00 H new ATOM 570 N GLU A 101 12.842 0.707 7.768 1.00 1.00 N ATOM 571 CA GLU A 101 13.972 -0.137 7.421 1.00 1.00 C ATOM 572 C GLU A 101 13.848 -0.624 5.976 1.00 1.00 C ATOM 573 O GLU A 101 12.774 -1.048 5.550 1.00 1.00 O ATOM 574 CB GLU A 101 14.093 -1.316 8.388 1.00 1.00 C ATOM 575 CG GLU A 101 15.540 -1.804 8.481 1.00 1.00 C ATOM 576 CD GLU A 101 15.609 -3.202 9.101 1.00 1.00 C ATOM 577 OE1 GLU A 101 14.641 -3.964 8.891 1.00 1.00 O ATOM 578 OE2 GLU A 101 16.628 -3.475 9.771 1.00 1.00 O ATOM 0 H GLU A 101 12.097 0.233 8.279 1.00 1.00 H new ATOM 0 HA GLU A 101 14.883 0.456 7.507 1.00 1.00 H new ATOM 0 HB2 GLU A 101 13.742 -1.018 9.376 1.00 1.00 H new ATOM 0 HB3 GLU A 101 13.451 -2.132 8.054 1.00 1.00 H new ATOM 0 HG2 GLU A 101 15.986 -1.821 7.487 1.00 1.00 H new ATOM 0 HG3 GLU A 101 16.125 -1.107 9.081 1.00 1.00 H new ATOM 585 N ALA A 102 14.961 -0.546 5.261 1.00 1.00 N ATOM 586 CA ALA A 102 14.990 -0.974 3.872 1.00 1.00 C ATOM 587 C ALA A 102 16.227 -1.841 3.636 1.00 1.00 C ATOM 588 O ALA A 102 17.168 -1.816 4.428 1.00 1.00 O ATOM 589 CB ALA A 102 14.955 0.254 2.960 1.00 1.00 C ATOM 0 H ALA A 102 15.849 -0.193 5.617 1.00 1.00 H new ATOM 0 HA ALA A 102 14.114 -1.580 3.638 1.00 1.00 H new ATOM 0 HB1 ALA A 102 14.977 -0.066 1.918 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.042 0.820 3.147 1.00 1.00 H new ATOM 0 HB3 ALA A 102 15.821 0.884 3.164 1.00 1.00 H new ATOM 595 N GLN A 103 16.187 -2.589 2.543 1.00 1.00 N ATOM 596 CA GLN A 103 17.293 -3.463 2.192 1.00 1.00 C ATOM 597 C GLN A 103 17.915 -3.025 0.864 1.00 1.00 C ATOM 598 O GLN A 103 17.202 -2.643 -0.063 1.00 1.00 O ATOM 599 CB GLN A 103 16.841 -4.923 2.131 1.00 1.00 C ATOM 600 CG GLN A 103 18.014 -5.847 1.797 1.00 1.00 C ATOM 601 CD GLN A 103 17.663 -7.307 2.091 1.00 1.00 C ATOM 602 OE1 GLN A 103 18.215 -7.939 2.976 1.00 1.00 O ATOM 603 NE2 GLN A 103 16.716 -7.805 1.300 1.00 1.00 N ATOM 0 H GLN A 103 15.405 -2.608 1.888 1.00 1.00 H new ATOM 0 HA GLN A 103 18.053 -3.385 2.970 1.00 1.00 H new ATOM 0 HB2 GLN A 103 16.406 -5.213 3.087 1.00 1.00 H new ATOM 0 HB3 GLN A 103 16.060 -5.034 1.379 1.00 1.00 H new ATOM 0 HG2 GLN A 103 18.280 -5.738 0.746 1.00 1.00 H new ATOM 0 HG3 GLN A 103 18.888 -5.555 2.379 1.00 1.00 H new ATOM 0 HE21 GLN A 103 16.295 -7.220 0.578 1.00 1.00 H new ATOM 0 HE22 GLN A 103 16.411 -8.771 1.416 1.00 1.00 H new ATOM 612 N THR A 104 19.237 -3.096 0.814 1.00 1.00 N ATOM 613 CA THR A 104 19.962 -2.712 -0.384 1.00 1.00 C ATOM 614 C THR A 104 20.656 -3.928 -1.001 1.00 1.00 C ATOM 615 O THR A 104 20.992 -4.879 -0.296 1.00 1.00 O ATOM 616 CB THR A 104 20.929 -1.586 -0.012 1.00 1.00 C ATOM 617 OG1 THR A 104 21.910 -2.224 0.801 1.00 1.00 O ATOM 618 CG2 THR A 104 20.292 -0.550 0.917 1.00 1.00 C ATOM 0 H THR A 104 19.825 -3.414 1.585 1.00 1.00 H new ATOM 0 HA THR A 104 19.285 -2.338 -1.152 1.00 1.00 H new ATOM 0 HB THR A 104 21.278 -1.094 -0.920 1.00 1.00 H new ATOM 0 HG1 THR A 104 22.578 -1.566 1.085 1.00 1.00 H new ATOM 0 HG21 THR A 104 21.021 0.227 1.150 1.00 1.00 H new ATOM 0 HG22 THR A 104 19.429 -0.102 0.425 1.00 1.00 H new ATOM 0 HG23 THR A 104 19.972 -1.036 1.839 1.00 1.00 H new ATOM 626 N LYS A 105 20.848 -3.859 -2.310 1.00 1.00 N ATOM 627 CA LYS A 105 21.495 -4.943 -3.030 1.00 1.00 C ATOM 628 C LYS A 105 22.900 -5.159 -2.463 1.00 1.00 C ATOM 629 O LYS A 105 23.504 -6.209 -2.675 1.00 1.00 O ATOM 630 CB LYS A 105 21.474 -4.674 -4.536 1.00 1.00 C ATOM 631 CG LYS A 105 21.032 -5.918 -5.309 1.00 1.00 C ATOM 632 CD LYS A 105 22.238 -6.671 -5.873 1.00 1.00 C ATOM 633 CE LYS A 105 22.208 -8.144 -5.458 1.00 1.00 C ATOM 634 NZ LYS A 105 22.545 -8.286 -4.024 1.00 1.00 N ATOM 0 H LYS A 105 20.567 -3.069 -2.891 1.00 1.00 H new ATOM 0 HA LYS A 105 20.947 -5.875 -2.889 1.00 1.00 H new ATOM 0 HB2 LYS A 105 20.797 -3.848 -4.752 1.00 1.00 H new ATOM 0 HB3 LYS A 105 22.466 -4.368 -4.868 1.00 1.00 H new ATOM 0 HG2 LYS A 105 20.463 -6.576 -4.652 1.00 1.00 H new ATOM 0 HG3 LYS A 105 20.367 -5.628 -6.123 1.00 1.00 H new ATOM 0 HD2 LYS A 105 22.242 -6.596 -6.960 1.00 1.00 H new ATOM 0 HD3 LYS A 105 23.159 -6.208 -5.518 1.00 1.00 H new ATOM 0 HE2 LYS A 105 21.219 -8.561 -5.648 1.00 1.00 H new ATOM 0 HE3 LYS A 105 22.915 -8.712 -6.062 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 23.480 -8.731 -3.930 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 22.562 -7.347 -3.577 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 21.830 -8.880 -3.557 1.00 1.00 H new ATOM 648 N ASN A 106 23.378 -4.148 -1.753 1.00 1.00 N ATOM 649 CA ASN A 106 24.701 -4.214 -1.154 1.00 1.00 C ATOM 650 C ASN A 106 24.597 -4.853 0.233 1.00 1.00 C ATOM 651 O ASN A 106 25.456 -5.642 0.622 1.00 1.00 O ATOM 652 CB ASN A 106 25.300 -2.816 -0.986 1.00 1.00 C ATOM 653 CG ASN A 106 26.274 -2.497 -2.122 1.00 1.00 C ATOM 654 OD1 ASN A 106 27.472 -2.369 -1.929 1.00 1.00 O ATOM 655 ND2 ASN A 106 25.695 -2.378 -3.313 1.00 1.00 N ATOM 0 H ASN A 106 22.874 -3.279 -1.579 1.00 1.00 H new ATOM 0 HA ASN A 106 25.340 -4.804 -1.812 1.00 1.00 H new ATOM 0 HB2 ASN A 106 24.502 -2.074 -0.968 1.00 1.00 H new ATOM 0 HB3 ASN A 106 25.818 -2.751 -0.029 1.00 1.00 H new ATOM 0 HD21 ASN A 106 26.260 -2.167 -4.136 1.00 1.00 H new ATOM 0 HD22 ASN A 106 24.686 -2.498 -3.404 1.00 1.00 H new ATOM 662 N GLY A 107 23.537 -4.489 0.939 1.00 1.00 N ATOM 663 CA GLY A 107 23.309 -5.016 2.273 1.00 1.00 C ATOM 664 C GLY A 107 21.944 -4.581 2.810 1.00 1.00 C ATOM 665 O GLY A 107 20.951 -4.606 2.084 1.00 1.00 O ATOM 0 H GLY A 107 22.826 -3.835 0.612 1.00 1.00 H new ATOM 0 HA2 GLY A 107 23.365 -6.104 2.252 1.00 1.00 H new ATOM 0 HA3 GLY A 107 24.095 -4.669 2.944 1.00 1.00 H new ATOM 669 N GLN A 108 21.938 -4.192 4.076 1.00 1.00 N ATOM 670 CA GLN A 108 20.711 -3.752 4.719 1.00 1.00 C ATOM 671 C GLN A 108 21.025 -2.749 5.831 1.00 1.00 C ATOM 672 O GLN A 108 22.074 -2.830 6.467 1.00 1.00 O ATOM 673 CB GLN A 108 19.919 -4.943 5.261 1.00 1.00 C ATOM 674 CG GLN A 108 18.415 -4.728 5.081 1.00 1.00 C ATOM 675 CD GLN A 108 17.636 -5.274 6.280 1.00 1.00 C ATOM 676 OE1 GLN A 108 18.194 -5.802 7.227 1.00 1.00 O ATOM 677 NE2 GLN A 108 16.318 -5.118 6.185 1.00 1.00 N ATOM 0 H GLN A 108 22.764 -4.172 4.675 1.00 1.00 H new ATOM 0 HA GLN A 108 20.090 -3.255 3.973 1.00 1.00 H new ATOM 0 HB2 GLN A 108 20.224 -5.853 4.744 1.00 1.00 H new ATOM 0 HB3 GLN A 108 20.146 -5.085 6.318 1.00 1.00 H new ATOM 0 HG2 GLN A 108 18.208 -3.665 4.962 1.00 1.00 H new ATOM 0 HG3 GLN A 108 18.080 -5.222 4.169 1.00 1.00 H new ATOM 0 HE21 GLN A 108 15.916 -4.667 5.363 1.00 1.00 H new ATOM 0 HE22 GLN A 108 15.710 -5.450 6.934 1.00 1.00 H new ATOM 686 N GLY A 109 20.095 -1.827 6.031 1.00 1.00 N ATOM 687 CA GLY A 109 20.259 -0.809 7.056 1.00 1.00 C ATOM 688 C GLY A 109 18.961 -0.027 7.265 1.00 1.00 C ATOM 689 O GLY A 109 17.903 -0.432 6.783 1.00 1.00 O ATOM 0 H GLY A 109 19.226 -1.763 5.501 1.00 1.00 H new ATOM 0 HA2 GLY A 109 20.561 -1.277 7.993 1.00 1.00 H new ATOM 0 HA3 GLY A 109 21.058 -0.125 6.770 1.00 1.00 H new ATOM 693 N TRP A 110 19.083 1.079 7.983 1.00 1.00 N ATOM 694 CA TRP A 110 17.932 1.921 8.262 1.00 1.00 C ATOM 695 C TRP A 110 17.875 3.013 7.191 1.00 1.00 C ATOM 696 O TRP A 110 18.886 3.327 6.565 1.00 1.00 O ATOM 697 CB TRP A 110 17.994 2.481 9.684 1.00 1.00 C ATOM 698 CG TRP A 110 17.226 1.651 10.714 1.00 1.00 C ATOM 699 CD1 TRP A 110 17.697 0.681 11.509 1.00 1.00 C ATOM 700 CD2 TRP A 110 15.821 1.758 11.030 1.00 1.00 C ATOM 701 NE1 TRP A 110 16.704 0.157 12.311 1.00 1.00 N ATOM 702 CE2 TRP A 110 15.527 0.833 12.010 1.00 1.00 C ATOM 703 CE3 TRP A 110 14.833 2.609 10.505 1.00 1.00 C ATOM 704 CZ2 TRP A 110 14.245 0.669 12.550 1.00 1.00 C ATOM 705 CZ3 TRP A 110 13.557 2.433 11.054 1.00 1.00 C ATOM 706 CH2 TRP A 110 13.245 1.506 12.042 1.00 1.00 C ATOM 0 H TRP A 110 19.961 1.412 8.380 1.00 1.00 H new ATOM 0 HA TRP A 110 17.010 1.341 8.218 1.00 1.00 H new ATOM 0 HB2 TRP A 110 19.037 2.548 9.992 1.00 1.00 H new ATOM 0 HB3 TRP A 110 17.597 3.496 9.681 1.00 1.00 H new ATOM 0 HD1 TRP A 110 18.725 0.351 11.521 1.00 1.00 H new ATOM 0 HE1 TRP A 110 16.813 -0.589 12.998 1.00 1.00 H new ATOM 0 HE3 TRP A 110 15.042 3.341 9.739 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 14.039 -0.063 13.317 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 12.760 3.061 10.684 1.00 1.00 H new ATOM 0 HH2 TRP A 110 12.235 1.432 12.416 1.00 1.00 H new ATOM 717 N VAL A 111 16.682 3.561 7.014 1.00 1.00 N ATOM 718 CA VAL A 111 16.480 4.611 6.030 1.00 1.00 C ATOM 719 C VAL A 111 15.277 5.463 6.439 1.00 1.00 C ATOM 720 O VAL A 111 14.217 4.931 6.768 1.00 1.00 O ATOM 721 CB VAL A 111 16.332 4.000 4.635 1.00 1.00 C ATOM 722 CG1 VAL A 111 15.011 3.239 4.507 1.00 1.00 C ATOM 723 CG2 VAL A 111 16.455 5.072 3.551 1.00 1.00 C ATOM 0 H VAL A 111 15.846 3.298 7.535 1.00 1.00 H new ATOM 0 HA VAL A 111 17.348 5.270 5.992 1.00 1.00 H new ATOM 0 HB VAL A 111 17.144 3.287 4.494 1.00 1.00 H new ATOM 0 HG11 VAL A 111 14.931 2.815 3.506 1.00 1.00 H new ATOM 0 HG12 VAL A 111 14.980 2.437 5.245 1.00 1.00 H new ATOM 0 HG13 VAL A 111 14.179 3.922 4.679 1.00 1.00 H new ATOM 0 HG21 VAL A 111 16.346 4.611 2.569 1.00 1.00 H new ATOM 0 HG22 VAL A 111 15.675 5.820 3.689 1.00 1.00 H new ATOM 0 HG23 VAL A 111 17.432 5.550 3.621 1.00 1.00 H new ATOM 733 N PRO A 112 15.486 6.807 6.406 1.00 1.00 N ATOM 734 CA PRO A 112 14.431 7.738 6.769 1.00 1.00 C ATOM 735 C PRO A 112 13.382 7.838 5.660 1.00 1.00 C ATOM 736 O PRO A 112 13.715 7.767 4.478 1.00 1.00 O ATOM 737 CB PRO A 112 15.143 9.054 7.035 1.00 1.00 C ATOM 738 CG PRO A 112 16.501 8.936 6.364 1.00 1.00 C ATOM 739 CD PRO A 112 16.727 7.472 6.022 1.00 1.00 C ATOM 0 HA PRO A 112 13.872 7.418 7.648 1.00 1.00 H new ATOM 0 HB2 PRO A 112 14.578 9.893 6.628 1.00 1.00 H new ATOM 0 HB3 PRO A 112 15.250 9.231 8.105 1.00 1.00 H new ATOM 0 HG2 PRO A 112 16.536 9.548 5.463 1.00 1.00 H new ATOM 0 HG3 PRO A 112 17.287 9.299 7.026 1.00 1.00 H new ATOM 0 HD2 PRO A 112 16.935 7.341 4.960 1.00 1.00 H new ATOM 0 HD3 PRO A 112 17.579 7.065 6.566 1.00 1.00 H new ATOM 747 N SER A 113 12.136 8.002 6.081 1.00 1.00 N ATOM 748 CA SER A 113 11.036 8.113 5.138 1.00 1.00 C ATOM 749 C SER A 113 11.075 9.477 4.447 1.00 1.00 C ATOM 750 O SER A 113 10.585 9.625 3.329 1.00 1.00 O ATOM 751 CB SER A 113 9.690 7.909 5.835 1.00 1.00 C ATOM 752 OG SER A 113 8.603 7.932 4.914 1.00 1.00 O ATOM 0 H SER A 113 11.864 8.061 7.062 1.00 1.00 H new ATOM 0 HA SER A 113 11.148 7.330 4.388 1.00 1.00 H new ATOM 0 HB2 SER A 113 9.697 6.956 6.364 1.00 1.00 H new ATOM 0 HB3 SER A 113 9.548 8.688 6.584 1.00 1.00 H new ATOM 0 HG SER A 113 7.761 7.797 5.398 1.00 1.00 H new ATOM 758 N ASN A 114 11.664 10.440 5.141 1.00 1.00 N ATOM 759 CA ASN A 114 11.773 11.788 4.609 1.00 1.00 C ATOM 760 C ASN A 114 12.756 11.790 3.436 1.00 1.00 C ATOM 761 O ASN A 114 12.884 12.789 2.731 1.00 1.00 O ATOM 762 CB ASN A 114 12.300 12.758 5.668 1.00 1.00 C ATOM 763 CG ASN A 114 13.363 12.090 6.543 1.00 1.00 C ATOM 764 OD1 ASN A 114 12.866 11.358 7.535 1.00 1.00 O flip ATOM 765 ND2 ASN A 114 14.556 12.231 6.330 1.00 1.00 N flip ATOM 0 H ASN A 114 12.071 10.313 6.068 1.00 1.00 H new ATOM 0 HA ASN A 114 10.780 12.106 4.291 1.00 1.00 H new ATOM 0 HB2 ASN A 114 12.724 13.637 5.182 1.00 1.00 H new ATOM 0 HB3 ASN A 114 11.476 13.104 6.291 1.00 1.00 H new ATOM 0 HD21 ASN A 114 14.870 12.808 5.550 1.00 1.00 H new ATOM 0 HD22 ASN A 114 15.239 11.772 6.932 1.00 1.00 H new ATOM 772 N TYR A 115 13.424 10.658 3.263 1.00 1.00 N ATOM 773 CA TYR A 115 14.391 10.517 2.188 1.00 1.00 C ATOM 774 C TYR A 115 13.929 9.474 1.169 1.00 1.00 C ATOM 775 O TYR A 115 14.643 9.178 0.212 1.00 1.00 O ATOM 776 CB TYR A 115 15.685 10.033 2.846 1.00 1.00 C ATOM 777 CG TYR A 115 16.723 11.135 3.062 1.00 1.00 C ATOM 778 CD1 TYR A 115 17.559 11.509 2.028 1.00 1.00 C ATOM 779 CD2 TYR A 115 16.826 11.756 4.290 1.00 1.00 C ATOM 780 CE1 TYR A 115 18.536 12.546 2.232 1.00 1.00 C ATOM 781 CE2 TYR A 115 17.803 12.793 4.494 1.00 1.00 C ATOM 782 CZ TYR A 115 18.611 13.137 3.454 1.00 1.00 C ATOM 783 OH TYR A 115 19.534 14.117 3.646 1.00 1.00 O ATOM 0 H TYR A 115 13.314 9.831 3.849 1.00 1.00 H new ATOM 0 HA TYR A 115 14.519 11.462 1.660 1.00 1.00 H new ATOM 0 HB2 TYR A 115 15.444 9.581 3.808 1.00 1.00 H new ATOM 0 HB3 TYR A 115 16.124 9.250 2.227 1.00 1.00 H new ATOM 0 HD1 TYR A 115 17.480 11.023 1.067 1.00 1.00 H new ATOM 0 HD2 TYR A 115 16.173 11.464 5.099 1.00 1.00 H new ATOM 0 HE1 TYR A 115 19.195 12.848 1.432 1.00 1.00 H new ATOM 0 HE2 TYR A 115 17.893 13.287 5.450 1.00 1.00 H new ATOM 0 HH TYR A 115 19.472 14.449 4.566 1.00 1.00 H new ATOM 793 N ILE A 116 12.738 8.945 1.409 1.00 1.00 N ATOM 794 CA ILE A 116 12.172 7.941 0.524 1.00 1.00 C ATOM 795 C ILE A 116 10.866 8.470 -0.071 1.00 1.00 C ATOM 796 O ILE A 116 10.223 9.343 0.511 1.00 1.00 O ATOM 797 CB ILE A 116 12.019 6.607 1.256 1.00 1.00 C ATOM 798 CG1 ILE A 116 13.295 6.252 2.022 1.00 1.00 C ATOM 799 CG2 ILE A 116 11.604 5.496 0.290 1.00 1.00 C ATOM 800 CD1 ILE A 116 12.987 5.329 3.203 1.00 1.00 C ATOM 0 H ILE A 116 12.149 9.193 2.204 1.00 1.00 H new ATOM 0 HA ILE A 116 12.846 7.745 -0.310 1.00 1.00 H new ATOM 0 HB ILE A 116 11.220 6.711 1.991 1.00 1.00 H new ATOM 0 HG12 ILE A 116 14.003 5.766 1.351 1.00 1.00 H new ATOM 0 HG13 ILE A 116 13.772 7.163 2.383 1.00 1.00 H new ATOM 0 HG21 ILE A 116 11.502 4.558 0.836 1.00 1.00 H new ATOM 0 HG22 ILE A 116 10.650 5.753 -0.171 1.00 1.00 H new ATOM 0 HG23 ILE A 116 12.363 5.384 -0.484 1.00 1.00 H new ATOM 0 HD11 ILE A 116 13.911 5.092 3.730 1.00 1.00 H new ATOM 0 HD12 ILE A 116 12.298 5.828 3.885 1.00 1.00 H new ATOM 0 HD13 ILE A 116 12.532 4.409 2.837 1.00 1.00 H new ATOM 812 N THR A 117 10.511 7.919 -1.222 1.00 1.00 N ATOM 813 CA THR A 117 9.293 8.324 -1.902 1.00 1.00 C ATOM 814 C THR A 117 8.406 7.108 -2.177 1.00 1.00 C ATOM 815 O THR A 117 8.897 5.984 -2.264 1.00 1.00 O ATOM 816 CB THR A 117 9.689 9.085 -3.168 1.00 1.00 C ATOM 817 OG1 THR A 117 8.659 8.768 -4.101 1.00 1.00 O ATOM 818 CG2 THR A 117 10.959 8.528 -3.813 1.00 1.00 C ATOM 0 H THR A 117 11.046 7.195 -1.701 1.00 1.00 H new ATOM 0 HA THR A 117 8.695 8.989 -1.279 1.00 1.00 H new ATOM 0 HB THR A 117 9.836 10.138 -2.927 1.00 1.00 H new ATOM 0 HG1 THR A 117 8.836 9.222 -4.951 1.00 1.00 H new ATOM 0 HG21 THR A 117 11.195 9.104 -4.708 1.00 1.00 H new ATOM 0 HG22 THR A 117 11.786 8.598 -3.107 1.00 1.00 H new ATOM 0 HG23 THR A 117 10.801 7.484 -4.085 1.00 1.00 H new ATOM 826 N PRO A 118 7.080 7.381 -2.308 1.00 1.00 N ATOM 827 CA PRO A 118 6.120 6.323 -2.571 1.00 1.00 C ATOM 828 C PRO A 118 6.203 5.856 -4.026 1.00 1.00 C ATOM 829 O PRO A 118 6.889 6.471 -4.840 1.00 1.00 O ATOM 830 CB PRO A 118 4.768 6.920 -2.216 1.00 1.00 C ATOM 831 CG PRO A 118 4.967 8.427 -2.212 1.00 1.00 C ATOM 832 CD PRO A 118 6.462 8.700 -2.211 1.00 1.00 C ATOM 0 HA PRO A 118 6.312 5.426 -1.982 1.00 1.00 H new ATOM 0 HB2 PRO A 118 4.009 6.628 -2.942 1.00 1.00 H new ATOM 0 HB3 PRO A 118 4.429 6.568 -1.242 1.00 1.00 H new ATOM 0 HG2 PRO A 118 4.498 8.876 -3.087 1.00 1.00 H new ATOM 0 HG3 PRO A 118 4.497 8.872 -1.335 1.00 1.00 H new ATOM 0 HD2 PRO A 118 6.749 9.334 -3.050 1.00 1.00 H new ATOM 0 HD3 PRO A 118 6.770 9.216 -1.301 1.00 1.00 H new ATOM 840 N VAL A 119 5.495 4.772 -4.307 1.00 1.00 N ATOM 841 CA VAL A 119 5.481 4.215 -5.649 1.00 1.00 C ATOM 842 C VAL A 119 4.219 4.682 -6.377 1.00 1.00 C ATOM 843 O VAL A 119 3.960 4.269 -7.506 1.00 1.00 O ATOM 844 CB VAL A 119 5.604 2.691 -5.585 1.00 1.00 C ATOM 845 CG1 VAL A 119 5.293 2.058 -6.943 1.00 1.00 C ATOM 846 CG2 VAL A 119 6.990 2.274 -5.089 1.00 1.00 C ATOM 0 H VAL A 119 4.927 4.265 -3.628 1.00 1.00 H new ATOM 0 HA VAL A 119 6.338 4.573 -6.220 1.00 1.00 H new ATOM 0 HB VAL A 119 4.868 2.325 -4.869 1.00 1.00 H new ATOM 0 HG11 VAL A 119 5.388 0.975 -6.870 1.00 1.00 H new ATOM 0 HG12 VAL A 119 4.276 2.314 -7.239 1.00 1.00 H new ATOM 0 HG13 VAL A 119 5.994 2.434 -7.689 1.00 1.00 H new ATOM 0 HG21 VAL A 119 7.051 1.186 -5.053 1.00 1.00 H new ATOM 0 HG22 VAL A 119 7.750 2.658 -5.769 1.00 1.00 H new ATOM 0 HG23 VAL A 119 7.157 2.680 -4.091 1.00 1.00 H new ATOM 856 N SER A 120 3.467 5.538 -5.700 1.00 1.00 N ATOM 857 CA SER A 120 2.238 6.066 -6.268 1.00 1.00 C ATOM 858 C SER A 120 2.156 7.575 -6.028 1.00 1.00 C ATOM 859 O SER A 120 3.215 8.157 -5.707 1.00 1.00 O ATOM 860 CB SER A 120 1.012 5.367 -5.676 1.00 1.00 C ATOM 861 OG SER A 120 -0.186 5.721 -6.360 1.00 1.00 O ATOM 862 OXT SER A 120 1.087 8.170 -6.150 1.00 1.00 O ATOM 0 H SER A 120 3.685 5.879 -4.764 1.00 1.00 H new ATOM 0 HA SER A 120 2.248 5.875 -7.341 1.00 1.00 H new ATOM 0 HB2 SER A 120 1.152 4.287 -5.725 1.00 1.00 H new ATOM 0 HB3 SER A 120 0.919 5.629 -4.622 1.00 1.00 H new ATOM 0 HG SER A 120 -0.154 6.669 -6.607 1.00 1.00 H new TER 868 SER A 120