USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 262 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 1 LYS N :NH3+ -107:sc= 0.052 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.218) USER MOD Single : A 3 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.9!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.755 USER MOD Single : A 6 THR OG1 : rot -169:sc= -0.203! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.0084) USER MOD Single : A 14 ASN : amide:sc= -0.319 K(o=-0.32,f=-2!) USER MOD Single : A 18 HIS : no HD1:sc= -0.0531 X(o=-0.053,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.69! C(o=-1.7!,f=-3.7!) USER MOD Single : A 22 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.14) USER MOD Single : A 28 SER OG : rot 81:sc= 0.103 USER MOD Single : A 29 SER OG : rot 11:sc= 0.545 USER MOD Single : A 30 THR OG1 : rot 150:sc= -1.22 USER MOD Single : A 31 ASN : amide:sc= -2.66 K(o=-2.7,f=-0.52) USER MOD Single : A 34 SER OG : rot -63:sc= 1.15 USER MOD Single : A 35 ASN : amide:sc=-0.00096 X(o=-0.00096,f=-0.17) USER MOD Single : A 36 THR OG1 : rot 59:sc= 1.2 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.951 -28.595 -3.419 1.00 0.00 N ATOM 2 CA LYS A 1 -9.152 -27.697 -2.244 1.00 0.00 C ATOM 3 C LYS A 1 -7.802 -27.312 -1.631 1.00 0.00 C ATOM 4 O LYS A 1 -6.818 -28.009 -1.786 1.00 0.00 O ATOM 5 CB LYS A 1 -9.970 -28.517 -1.245 1.00 0.00 C ATOM 6 CG LYS A 1 -10.319 -27.647 -0.036 1.00 0.00 C ATOM 7 CD LYS A 1 -11.407 -28.331 0.795 1.00 0.00 C ATOM 8 CE LYS A 1 -12.543 -27.339 1.061 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.950 -26.308 1.959 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.145 -28.069 -4.295 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.969 -28.937 -3.431 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.599 -29.406 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.655 -26.771 -2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.881 -28.883 -1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.403 -29.392 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.431 -27.483 0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -10.663 -26.668 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.789 -29.205 0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.991 -28.686 1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.904 -26.894 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -13.394 -27.830 1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.711 -25.788 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.345 -26.771 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.379 -25.645 1.397 1.00 0.00 H new ATOM 25 N CYS A 2 -7.749 -26.213 -0.928 1.00 0.00 N ATOM 26 CA CYS A 2 -6.469 -25.790 -0.298 1.00 0.00 C ATOM 27 C CYS A 2 -6.614 -25.825 1.231 1.00 0.00 C ATOM 28 O CYS A 2 -6.824 -26.867 1.819 1.00 0.00 O ATOM 29 CB CYS A 2 -6.245 -24.355 -0.786 1.00 0.00 C ATOM 30 SG CYS A 2 -6.135 -24.315 -2.589 1.00 0.00 S ATOM 0 H CYS A 2 -8.540 -25.590 -0.763 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.634 -26.440 -0.560 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -7.063 -23.718 -0.451 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -5.330 -23.954 -0.350 1.00 0.00 H new ATOM 35 N ASN A 3 -6.510 -24.694 1.873 1.00 0.00 N ATOM 36 CA ASN A 3 -6.649 -24.654 3.355 1.00 0.00 C ATOM 37 C ASN A 3 -7.252 -23.310 3.779 1.00 0.00 C ATOM 38 O ASN A 3 -7.274 -22.968 4.945 1.00 0.00 O ATOM 39 CB ASN A 3 -5.224 -24.796 3.889 1.00 0.00 C ATOM 40 CG ASN A 3 -5.189 -24.408 5.368 1.00 0.00 C ATOM 41 OD1 ASN A 3 -6.057 -24.789 6.129 1.00 0.00 O ATOM 42 ND2 ASN A 3 -4.217 -23.658 5.808 1.00 0.00 N ATOM 0 H ASN A 3 -6.334 -23.791 1.432 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.303 -25.437 3.737 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.879 -25.822 3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.546 -24.160 3.320 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -4.184 -23.390 6.792 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -3.489 -23.339 5.168 1.00 0.00 H new ATOM 49 N THR A 4 -7.736 -22.545 2.833 1.00 0.00 N ATOM 50 CA THR A 4 -8.333 -21.227 3.147 1.00 0.00 C ATOM 51 C THR A 4 -7.247 -20.201 3.405 1.00 0.00 C ATOM 52 O THR A 4 -6.878 -19.459 2.521 1.00 0.00 O ATOM 53 CB THR A 4 -9.239 -21.434 4.365 1.00 0.00 C ATOM 54 OG1 THR A 4 -9.848 -22.715 4.288 1.00 0.00 O ATOM 55 CG2 THR A 4 -10.323 -20.353 4.382 1.00 0.00 C ATOM 0 H THR A 4 -7.739 -22.789 1.843 1.00 0.00 H new ATOM 0 HA THR A 4 -8.918 -20.841 2.312 1.00 0.00 H new ATOM 0 HB THR A 4 -8.646 -21.368 5.277 1.00 0.00 H new ATOM 0 HG1 THR A 4 -10.427 -22.850 5.067 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.969 -20.499 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.856 -19.370 4.439 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.918 -20.420 3.471 1.00 0.00 H new ATOM 63 N ALA A 5 -6.703 -20.156 4.579 1.00 0.00 N ATOM 64 CA ALA A 5 -5.626 -19.172 4.831 1.00 0.00 C ATOM 65 C ALA A 5 -4.654 -19.163 3.649 1.00 0.00 C ATOM 66 O ALA A 5 -3.956 -18.202 3.420 1.00 0.00 O ATOM 67 CB ALA A 5 -4.926 -19.676 6.091 1.00 0.00 C ATOM 0 H ALA A 5 -6.953 -20.751 5.369 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.002 -18.156 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.110 -19.001 6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.640 -19.713 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.527 -20.674 5.911 1.00 0.00 H new ATOM 73 N THR A 6 -4.619 -20.223 2.882 1.00 0.00 N ATOM 74 CA THR A 6 -3.683 -20.260 1.721 1.00 0.00 C ATOM 75 C THR A 6 -4.367 -19.739 0.465 1.00 0.00 C ATOM 76 O THR A 6 -4.274 -18.578 0.124 1.00 0.00 O ATOM 77 CB THR A 6 -3.310 -21.732 1.553 1.00 0.00 C ATOM 78 OG1 THR A 6 -4.480 -22.486 1.271 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.664 -22.248 2.840 1.00 0.00 C ATOM 0 H THR A 6 -5.193 -21.057 3.009 1.00 0.00 H new ATOM 0 HA THR A 6 -2.807 -19.633 1.886 1.00 0.00 H new ATOM 0 HB THR A 6 -2.604 -21.836 0.729 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.276 -23.442 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.399 -23.298 2.718 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.765 -21.669 3.054 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.367 -22.145 3.667 1.00 0.00 H new ATOM 87 N CYS A 7 -5.055 -20.597 -0.226 1.00 0.00 N ATOM 88 CA CYS A 7 -5.751 -20.165 -1.465 1.00 0.00 C ATOM 89 C CYS A 7 -6.684 -19.001 -1.149 1.00 0.00 C ATOM 90 O CYS A 7 -6.929 -18.146 -1.979 1.00 0.00 O ATOM 91 CB CYS A 7 -6.551 -21.385 -1.907 1.00 0.00 C ATOM 92 SG CYS A 7 -5.535 -22.426 -2.991 1.00 0.00 S ATOM 0 H CYS A 7 -5.166 -21.582 0.014 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.062 -19.827 -2.239 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.872 -21.956 -1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.453 -21.069 -2.431 1.00 0.00 H new ATOM 97 N ALA A 8 -7.210 -18.953 0.045 1.00 0.00 N ATOM 98 CA ALA A 8 -8.124 -17.833 0.384 1.00 0.00 C ATOM 99 C ALA A 8 -7.325 -16.550 0.599 1.00 0.00 C ATOM 100 O ALA A 8 -7.539 -15.572 -0.083 1.00 0.00 O ATOM 101 CB ALA A 8 -8.855 -18.221 1.665 1.00 0.00 C ATOM 0 H ALA A 8 -7.048 -19.632 0.789 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.833 -17.652 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.539 -17.422 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.419 -19.139 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.130 -18.380 2.464 1.00 0.00 H new ATOM 107 N THR A 9 -6.401 -16.532 1.532 1.00 0.00 N ATOM 108 CA THR A 9 -5.632 -15.278 1.739 1.00 0.00 C ATOM 109 C THR A 9 -5.085 -14.785 0.401 1.00 0.00 C ATOM 110 O THR A 9 -4.868 -13.611 0.214 1.00 0.00 O ATOM 111 CB THR A 9 -4.501 -15.628 2.712 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.092 -14.448 3.391 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.307 -16.216 1.954 1.00 0.00 C ATOM 0 H THR A 9 -6.155 -17.313 2.141 1.00 0.00 H new ATOM 0 HA THR A 9 -6.250 -14.477 2.145 1.00 0.00 H new ATOM 0 HB THR A 9 -4.862 -16.367 3.427 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.369 -14.664 4.017 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.512 -16.459 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.618 -17.121 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.940 -15.487 1.231 1.00 0.00 H new ATOM 121 N GLN A 10 -4.860 -15.673 -0.534 1.00 0.00 N ATOM 122 CA GLN A 10 -4.331 -15.233 -1.852 1.00 0.00 C ATOM 123 C GLN A 10 -5.409 -14.467 -2.629 1.00 0.00 C ATOM 124 O GLN A 10 -5.139 -13.490 -3.313 1.00 0.00 O ATOM 125 CB GLN A 10 -3.957 -16.526 -2.580 1.00 0.00 C ATOM 126 CG GLN A 10 -3.349 -16.195 -3.946 1.00 0.00 C ATOM 127 CD GLN A 10 -1.824 -16.184 -3.835 1.00 0.00 C ATOM 128 OE1 GLN A 10 -1.132 -16.547 -4.765 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.268 -15.782 -2.728 1.00 0.00 N ATOM 0 H GLN A 10 -5.020 -16.676 -0.439 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.478 -14.561 -1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.245 -17.097 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.841 -17.151 -2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.665 -16.931 -4.685 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.706 -15.224 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.849 -15.477 -1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.252 -15.772 -2.642 1.00 0.00 H new ATOM 138 N ARG A 11 -6.638 -14.875 -2.493 1.00 0.00 N ATOM 139 CA ARG A 11 -7.737 -14.168 -3.196 1.00 0.00 C ATOM 140 C ARG A 11 -8.184 -13.061 -2.273 1.00 0.00 C ATOM 141 O ARG A 11 -8.425 -11.934 -2.664 1.00 0.00 O ATOM 142 CB ARG A 11 -8.823 -15.231 -3.387 1.00 0.00 C ATOM 143 CG ARG A 11 -10.201 -14.573 -3.458 1.00 0.00 C ATOM 144 CD ARG A 11 -11.243 -15.616 -3.867 1.00 0.00 C ATOM 145 NE ARG A 11 -11.090 -16.721 -2.880 1.00 0.00 N ATOM 146 CZ ARG A 11 -10.866 -17.939 -3.291 1.00 0.00 C ATOM 147 NH1 ARG A 11 -11.711 -18.522 -4.097 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.796 -18.575 -2.897 1.00 0.00 N ATOM 0 H ARG A 11 -6.928 -15.670 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.472 -13.730 -4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.634 -15.794 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.794 -15.943 -2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.461 -14.143 -2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.188 -13.754 -4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.250 -15.200 -3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.071 -15.968 -4.884 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.160 -16.525 -1.881 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.547 -18.025 -4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.536 -19.474 -4.418 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.135 -18.120 -2.268 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.621 -19.527 -3.218 1.00 0.00 H new ATOM 162 N LEU A 12 -8.224 -13.385 -1.025 1.00 0.00 N ATOM 163 CA LEU A 12 -8.573 -12.391 -0.005 1.00 0.00 C ATOM 164 C LEU A 12 -7.490 -11.315 -0.002 1.00 0.00 C ATOM 165 O LEU A 12 -7.721 -10.178 0.358 1.00 0.00 O ATOM 166 CB LEU A 12 -8.548 -13.194 1.289 1.00 0.00 C ATOM 167 CG LEU A 12 -9.943 -13.747 1.587 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.894 -12.591 1.897 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.458 -14.519 0.369 1.00 0.00 C ATOM 0 H LEU A 12 -8.025 -14.318 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.531 -11.894 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.833 -14.013 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.214 -12.563 2.112 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.892 -14.416 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.888 -12.985 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.528 -12.042 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.945 -11.921 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.452 -14.913 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.509 -13.851 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.780 -15.344 0.148 1.00 0.00 H new ATOM 181 N ALA A 13 -6.302 -11.679 -0.421 1.00 0.00 N ATOM 182 CA ALA A 13 -5.180 -10.699 -0.467 1.00 0.00 C ATOM 183 C ALA A 13 -5.462 -9.645 -1.528 1.00 0.00 C ATOM 184 O ALA A 13 -5.258 -8.465 -1.326 1.00 0.00 O ATOM 185 CB ALA A 13 -3.944 -11.512 -0.852 1.00 0.00 C ATOM 0 H ALA A 13 -6.063 -12.620 -0.734 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.046 -10.184 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.077 -10.853 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.768 -12.284 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.104 -11.980 -1.823 1.00 0.00 H new ATOM 191 N ASN A 14 -5.935 -10.071 -2.662 1.00 0.00 N ATOM 192 CA ASN A 14 -6.245 -9.105 -3.752 1.00 0.00 C ATOM 193 C ASN A 14 -7.228 -8.052 -3.241 1.00 0.00 C ATOM 194 O ASN A 14 -7.089 -6.872 -3.501 1.00 0.00 O ATOM 195 CB ASN A 14 -6.885 -9.946 -4.854 1.00 0.00 C ATOM 196 CG ASN A 14 -6.667 -9.267 -6.207 1.00 0.00 C ATOM 197 OD1 ASN A 14 -5.687 -8.576 -6.403 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.547 -9.436 -7.156 1.00 0.00 N ATOM 0 H ASN A 14 -6.122 -11.049 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.361 -8.576 -4.109 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.450 -10.945 -4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.951 -10.065 -4.662 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.412 -8.988 -8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.370 -10.016 -6.991 1.00 0.00 H new ATOM 205 N PHE A 15 -8.219 -8.473 -2.506 1.00 0.00 N ATOM 206 CA PHE A 15 -9.211 -7.508 -1.965 1.00 0.00 C ATOM 207 C PHE A 15 -8.688 -6.962 -0.642 1.00 0.00 C ATOM 208 O PHE A 15 -9.184 -5.986 -0.121 1.00 0.00 O ATOM 209 CB PHE A 15 -10.508 -8.303 -1.746 1.00 0.00 C ATOM 210 CG PHE A 15 -10.598 -9.435 -2.744 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.200 -9.233 -4.071 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.064 -10.688 -2.336 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.265 -10.284 -4.989 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.133 -11.740 -3.253 1.00 0.00 C ATOM 215 CZ PHE A 15 -10.733 -11.539 -4.582 1.00 0.00 C ATOM 0 H PHE A 15 -8.384 -9.448 -2.257 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.385 -6.668 -2.637 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.534 -8.700 -0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.370 -7.644 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.842 -8.264 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.371 -10.843 -1.312 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.955 -10.128 -6.012 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.494 -12.708 -2.938 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.786 -12.352 -5.291 1.00 0.00 H new ATOM 225 N LEU A 16 -7.672 -7.580 -0.096 1.00 0.00 N ATOM 226 CA LEU A 16 -7.115 -7.072 1.189 1.00 0.00 C ATOM 227 C LEU A 16 -6.423 -5.739 0.936 1.00 0.00 C ATOM 228 O LEU A 16 -6.537 -4.811 1.707 1.00 0.00 O ATOM 229 CB LEU A 16 -6.108 -8.122 1.647 1.00 0.00 C ATOM 230 CG LEU A 16 -6.431 -8.553 3.077 1.00 0.00 C ATOM 231 CD1 LEU A 16 -7.442 -9.699 3.045 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.150 -9.023 3.771 1.00 0.00 C ATOM 0 H LEU A 16 -7.210 -8.404 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.884 -6.912 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.138 -8.984 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.097 -7.717 1.598 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.852 -7.710 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.674 -10.008 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.354 -9.366 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.020 -10.542 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.381 -9.330 4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.729 -9.867 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.427 -8.207 3.792 1.00 0.00 H new ATOM 244 N VAL A 17 -5.718 -5.630 -0.156 1.00 0.00 N ATOM 245 CA VAL A 17 -5.036 -4.346 -0.466 1.00 0.00 C ATOM 246 C VAL A 17 -6.045 -3.374 -1.077 1.00 0.00 C ATOM 247 O VAL A 17 -5.969 -2.178 -0.884 1.00 0.00 O ATOM 248 CB VAL A 17 -3.947 -4.695 -1.481 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.129 -3.443 -1.799 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.029 -5.768 -0.894 1.00 0.00 C ATOM 0 H VAL A 17 -5.586 -6.372 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.614 -3.873 0.421 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.407 -5.071 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.352 -3.690 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.783 -2.677 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.668 -3.068 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.252 -6.018 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.568 -5.392 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.612 -6.660 -0.665 1.00 0.00 H new ATOM 260 N HIS A 18 -6.992 -3.886 -1.814 1.00 0.00 N ATOM 261 CA HIS A 18 -8.011 -2.999 -2.441 1.00 0.00 C ATOM 262 C HIS A 18 -9.111 -2.653 -1.436 1.00 0.00 C ATOM 263 O HIS A 18 -9.479 -1.506 -1.277 1.00 0.00 O ATOM 264 CB HIS A 18 -8.583 -3.812 -3.601 1.00 0.00 C ATOM 265 CG HIS A 18 -7.636 -3.746 -4.765 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.027 -4.074 -6.068 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.308 -3.387 -4.847 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.953 -3.908 -6.869 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.910 -3.498 -6.163 1.00 0.00 N ATOM 0 H HIS A 18 -7.104 -4.881 -2.009 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.582 -2.054 -2.775 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.732 -4.848 -3.296 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.559 -3.421 -3.888 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.686 -3.073 -4.022 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.945 -4.085 -7.934 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.978 -3.300 -6.528 1.00 0.00 H new ATOM 277 N SER A 19 -9.646 -3.634 -0.763 1.00 0.00 N ATOM 278 CA SER A 19 -10.730 -3.349 0.224 1.00 0.00 C ATOM 279 C SER A 19 -10.171 -2.625 1.451 1.00 0.00 C ATOM 280 O SER A 19 -10.687 -1.609 1.873 1.00 0.00 O ATOM 281 CB SER A 19 -11.284 -4.718 0.615 1.00 0.00 C ATOM 282 OG SER A 19 -12.603 -4.562 1.121 1.00 0.00 O ATOM 0 H SER A 19 -9.383 -4.615 -0.851 1.00 0.00 H new ATOM 0 HA SER A 19 -11.499 -2.701 -0.195 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.290 -5.382 -0.250 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.645 -5.180 1.368 1.00 0.00 H new ATOM 0 HG SER A 19 -12.963 -5.438 1.372 1.00 0.00 H new ATOM 288 N SER A 20 -9.125 -3.142 2.031 1.00 0.00 N ATOM 289 CA SER A 20 -8.538 -2.485 3.237 1.00 0.00 C ATOM 290 C SER A 20 -8.059 -1.073 2.893 1.00 0.00 C ATOM 291 O SER A 20 -8.206 -0.152 3.671 1.00 0.00 O ATOM 292 CB SER A 20 -7.361 -3.370 3.645 1.00 0.00 C ATOM 293 OG SER A 20 -7.069 -3.157 5.021 1.00 0.00 O ATOM 0 H SER A 20 -8.649 -3.991 1.724 1.00 0.00 H new ATOM 0 HA SER A 20 -9.265 -2.384 4.043 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.602 -4.419 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.488 -3.138 3.036 1.00 0.00 H new ATOM 0 HG SER A 20 -6.316 -3.724 5.287 1.00 0.00 H new ATOM 299 N ASN A 21 -7.494 -0.895 1.732 1.00 0.00 N ATOM 300 CA ASN A 21 -7.013 0.463 1.342 1.00 0.00 C ATOM 301 C ASN A 21 -8.198 1.426 1.235 1.00 0.00 C ATOM 302 O ASN A 21 -8.029 2.623 1.117 1.00 0.00 O ATOM 303 CB ASN A 21 -6.345 0.279 -0.022 1.00 0.00 C ATOM 304 CG ASN A 21 -5.953 1.648 -0.581 1.00 0.00 C ATOM 305 OD1 ASN A 21 -5.863 2.612 0.153 1.00 0.00 O ATOM 306 ND2 ASN A 21 -5.714 1.777 -1.859 1.00 0.00 N ATOM 0 H ASN A 21 -7.344 -1.627 1.037 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.323 0.882 2.074 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.463 -0.354 0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.025 -0.226 -0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.452 2.686 -2.240 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.789 0.968 -2.476 1.00 0.00 H new ATOM 313 N ASN A 22 -9.398 0.912 1.279 1.00 0.00 N ATOM 314 CA ASN A 22 -10.591 1.800 1.184 1.00 0.00 C ATOM 315 C ASN A 22 -10.440 2.992 2.133 1.00 0.00 C ATOM 316 O ASN A 22 -10.132 4.097 1.724 1.00 0.00 O ATOM 317 CB ASN A 22 -11.771 0.924 1.612 1.00 0.00 C ATOM 318 CG ASN A 22 -13.045 1.772 1.663 1.00 0.00 C ATOM 319 OD1 ASN A 22 -13.982 1.442 2.363 1.00 0.00 O ATOM 320 ND2 ASN A 22 -13.119 2.858 0.944 1.00 0.00 N ATOM 0 H ASN A 22 -9.603 -0.082 1.376 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.725 2.206 0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.898 0.099 0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.575 0.484 2.590 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.963 3.430 0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.333 3.135 0.356 1.00 0.00 H new ATOM 327 N PHE A 23 -10.656 2.773 3.398 1.00 0.00 N ATOM 328 CA PHE A 23 -10.530 3.882 4.385 1.00 0.00 C ATOM 329 C PHE A 23 -9.137 4.513 4.297 1.00 0.00 C ATOM 330 O PHE A 23 -8.935 5.655 4.656 1.00 0.00 O ATOM 331 CB PHE A 23 -10.746 3.218 5.747 1.00 0.00 C ATOM 332 CG PHE A 23 -9.500 2.468 6.156 1.00 0.00 C ATOM 333 CD1 PHE A 23 -8.467 3.141 6.819 1.00 0.00 C ATOM 334 CD2 PHE A 23 -9.378 1.101 5.874 1.00 0.00 C ATOM 335 CE1 PHE A 23 -7.312 2.450 7.201 1.00 0.00 C ATOM 336 CE2 PHE A 23 -8.222 0.408 6.257 1.00 0.00 C ATOM 337 CZ PHE A 23 -7.189 1.083 6.920 1.00 0.00 C ATOM 0 H PHE A 23 -10.916 1.870 3.794 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.246 4.684 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.989 3.973 6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.593 2.534 5.698 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -8.562 4.195 7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.174 0.582 5.362 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.516 2.970 7.712 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.127 -0.646 6.041 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.297 0.549 7.215 1.00 0.00 H new ATOM 347 N GLY A 24 -8.175 3.772 3.823 1.00 0.00 N ATOM 348 CA GLY A 24 -6.793 4.322 3.711 1.00 0.00 C ATOM 349 C GLY A 24 -6.743 5.365 2.592 1.00 0.00 C ATOM 350 O GLY A 24 -6.074 6.376 2.698 1.00 0.00 O ATOM 0 H GLY A 24 -8.285 2.808 3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.493 4.774 4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.087 3.518 3.504 1.00 0.00 H new ATOM 354 N ALA A 25 -7.445 5.127 1.517 1.00 0.00 N ATOM 355 CA ALA A 25 -7.433 6.101 0.388 1.00 0.00 C ATOM 356 C ALA A 25 -8.203 7.369 0.768 1.00 0.00 C ATOM 357 O ALA A 25 -8.001 8.422 0.197 1.00 0.00 O ATOM 358 CB ALA A 25 -8.124 5.373 -0.764 1.00 0.00 C ATOM 0 H ALA A 25 -8.026 4.301 1.372 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.424 6.417 0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.157 6.024 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.569 4.467 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.140 5.108 -0.470 1.00 0.00 H new ATOM 364 N ILE A 26 -9.073 7.283 1.734 1.00 0.00 N ATOM 365 CA ILE A 26 -9.837 8.491 2.156 1.00 0.00 C ATOM 366 C ILE A 26 -9.069 9.160 3.277 1.00 0.00 C ATOM 367 O ILE A 26 -8.874 10.357 3.291 1.00 0.00 O ATOM 368 CB ILE A 26 -11.195 7.959 2.615 1.00 0.00 C ATOM 369 CG1 ILE A 26 -11.656 6.859 1.645 1.00 0.00 C ATOM 370 CG2 ILE A 26 -12.216 9.098 2.621 1.00 0.00 C ATOM 371 CD1 ILE A 26 -11.247 7.225 0.210 1.00 0.00 C ATOM 0 H ILE A 26 -9.289 6.430 2.250 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.973 9.234 1.371 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.109 7.550 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.213 5.904 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.738 6.738 1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.184 8.718 2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -11.884 9.881 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.309 9.509 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.576 6.442 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.711 8.170 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.163 7.323 0.154 1.00 0.00 H new ATOM 383 N LEU A 27 -8.570 8.376 4.182 1.00 0.00 N ATOM 384 CA LEU A 27 -7.743 8.940 5.267 1.00 0.00 C ATOM 385 C LEU A 27 -6.718 9.869 4.620 1.00 0.00 C ATOM 386 O LEU A 27 -6.251 10.826 5.206 1.00 0.00 O ATOM 387 CB LEU A 27 -7.074 7.710 5.879 1.00 0.00 C ATOM 388 CG LEU A 27 -7.910 7.160 7.048 1.00 0.00 C ATOM 389 CD1 LEU A 27 -7.482 7.851 8.343 1.00 0.00 C ATOM 390 CD2 LEU A 27 -9.407 7.407 6.813 1.00 0.00 C ATOM 0 H LEU A 27 -8.701 7.365 4.215 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.287 9.513 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.953 6.939 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.076 7.970 6.230 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.742 6.086 7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.072 7.464 9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.425 7.657 8.527 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.643 8.925 8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.978 7.010 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.590 8.478 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.718 6.909 5.895 1.00 0.00 H new ATOM 402 N SER A 28 -6.392 9.583 3.387 1.00 0.00 N ATOM 403 CA SER A 28 -5.424 10.422 2.631 1.00 0.00 C ATOM 404 C SER A 28 -5.969 11.846 2.480 1.00 0.00 C ATOM 405 O SER A 28 -5.263 12.754 2.088 1.00 0.00 O ATOM 406 CB SER A 28 -5.336 9.750 1.259 1.00 0.00 C ATOM 407 OG SER A 28 -4.381 8.698 1.310 1.00 0.00 O ATOM 0 H SER A 28 -6.764 8.789 2.866 1.00 0.00 H new ATOM 0 HA SER A 28 -4.457 10.497 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.311 9.357 0.971 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.050 10.480 0.502 1.00 0.00 H new ATOM 0 HG SER A 28 -4.791 7.904 1.712 1.00 0.00 H new ATOM 413 N SER A 29 -7.226 12.044 2.774 1.00 0.00 N ATOM 414 CA SER A 29 -7.819 13.402 2.629 1.00 0.00 C ATOM 415 C SER A 29 -8.990 13.583 3.591 1.00 0.00 C ATOM 416 O SER A 29 -10.089 13.917 3.195 1.00 0.00 O ATOM 417 CB SER A 29 -8.298 13.455 1.178 1.00 0.00 C ATOM 418 OG SER A 29 -7.175 13.608 0.320 1.00 0.00 O ATOM 0 H SER A 29 -7.866 11.324 3.108 1.00 0.00 H new ATOM 0 HA SER A 29 -7.107 14.194 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.840 12.543 0.928 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.991 14.285 1.041 1.00 0.00 H new ATOM 0 HG SER A 29 -6.351 13.465 0.831 1.00 0.00 H new ATOM 424 N THR A 30 -8.767 13.355 4.855 1.00 0.00 N ATOM 425 CA THR A 30 -9.872 13.503 5.843 1.00 0.00 C ATOM 426 C THR A 30 -9.405 14.304 7.058 1.00 0.00 C ATOM 427 O THR A 30 -10.095 15.179 7.543 1.00 0.00 O ATOM 428 CB THR A 30 -10.211 12.071 6.244 1.00 0.00 C ATOM 429 OG1 THR A 30 -9.056 11.451 6.792 1.00 0.00 O ATOM 430 CG2 THR A 30 -10.669 11.294 5.009 1.00 0.00 C ATOM 0 H THR A 30 -7.868 13.073 5.247 1.00 0.00 H new ATOM 0 HA THR A 30 -10.729 14.037 5.433 1.00 0.00 H new ATOM 0 HB THR A 30 -11.009 12.077 6.987 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.327 10.782 7.455 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.912 10.270 5.293 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.552 11.772 4.585 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.870 11.285 4.268 1.00 0.00 H new ATOM 438 N ASN A 31 -8.237 14.015 7.548 1.00 0.00 N ATOM 439 CA ASN A 31 -7.718 14.759 8.726 1.00 0.00 C ATOM 440 C ASN A 31 -7.931 16.258 8.516 1.00 0.00 C ATOM 441 O ASN A 31 -8.038 17.023 9.453 1.00 0.00 O ATOM 442 CB ASN A 31 -6.226 14.421 8.778 1.00 0.00 C ATOM 443 CG ASN A 31 -5.481 15.207 7.695 1.00 0.00 C ATOM 444 OD1 ASN A 31 -4.559 15.941 7.990 1.00 0.00 O ATOM 445 ND2 ASN A 31 -5.843 15.084 6.446 1.00 0.00 N ATOM 0 H ASN A 31 -7.616 13.293 7.183 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.222 14.490 9.654 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.822 14.665 9.761 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.080 13.351 8.630 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.352 15.604 5.719 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.617 14.468 6.198 1.00 0.00 H new ATOM 452 N VAL A 32 -7.995 16.673 7.282 1.00 0.00 N ATOM 453 CA VAL A 32 -8.206 18.121 6.988 1.00 0.00 C ATOM 454 C VAL A 32 -9.691 18.464 7.146 1.00 0.00 C ATOM 455 O VAL A 32 -10.051 19.551 7.555 1.00 0.00 O ATOM 456 CB VAL A 32 -7.728 18.304 5.534 1.00 0.00 C ATOM 457 CG1 VAL A 32 -8.662 19.246 4.762 1.00 0.00 C ATOM 458 CG2 VAL A 32 -6.317 18.899 5.540 1.00 0.00 C ATOM 0 H VAL A 32 -7.910 16.072 6.462 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.662 18.781 7.664 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.731 17.330 5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.302 19.358 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.669 18.829 4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.679 20.221 5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.973 19.031 4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.332 19.865 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.640 18.225 6.066 1.00 0.00 H new ATOM 468 N GLY A 33 -10.554 17.544 6.821 1.00 0.00 N ATOM 469 CA GLY A 33 -12.013 17.811 6.947 1.00 0.00 C ATOM 470 C GLY A 33 -12.723 17.355 5.673 1.00 0.00 C ATOM 471 O GLY A 33 -12.690 18.023 4.659 1.00 0.00 O ATOM 0 H GLY A 33 -10.312 16.616 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.417 17.283 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.187 18.874 7.113 1.00 0.00 H new ATOM 475 N SER A 34 -13.364 16.219 5.715 1.00 0.00 N ATOM 476 CA SER A 34 -14.077 15.721 4.505 1.00 0.00 C ATOM 477 C SER A 34 -15.580 15.648 4.777 1.00 0.00 C ATOM 478 O SER A 34 -16.279 14.804 4.249 1.00 0.00 O ATOM 479 CB SER A 34 -13.508 14.325 4.254 1.00 0.00 C ATOM 480 OG SER A 34 -14.351 13.632 3.345 1.00 0.00 O ATOM 0 H SER A 34 -13.425 15.615 6.534 1.00 0.00 H new ATOM 0 HA SER A 34 -13.939 16.375 3.644 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.499 14.398 3.849 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.435 13.775 5.192 1.00 0.00 H new ATOM 0 HG SER A 34 -15.239 13.520 3.743 1.00 0.00 H new ATOM 486 N ASN A 35 -16.083 16.526 5.600 1.00 0.00 N ATOM 487 CA ASN A 35 -17.541 16.507 5.909 1.00 0.00 C ATOM 488 C ASN A 35 -18.257 17.626 5.153 1.00 0.00 C ATOM 489 O ASN A 35 -18.929 18.452 5.738 1.00 0.00 O ATOM 490 CB ASN A 35 -17.629 16.738 7.417 1.00 0.00 C ATOM 491 CG ASN A 35 -18.976 16.223 7.927 1.00 0.00 C ATOM 492 OD1 ASN A 35 -19.313 15.073 7.724 1.00 0.00 O ATOM 493 ND2 ASN A 35 -19.765 17.029 8.581 1.00 0.00 N ATOM 0 H ASN A 35 -15.548 17.255 6.072 1.00 0.00 H new ATOM 0 HA ASN A 35 -18.013 15.571 5.611 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -16.813 16.222 7.924 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -17.523 17.799 7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -20.666 16.695 8.923 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -19.481 17.994 8.751 1.00 0.00 H new ATOM 500 N THR A 36 -18.118 17.661 3.857 1.00 0.00 N ATOM 501 CA THR A 36 -18.790 18.729 3.066 1.00 0.00 C ATOM 502 C THR A 36 -19.949 18.145 2.253 1.00 0.00 C ATOM 503 O THR A 36 -19.875 18.050 1.045 1.00 0.00 O ATOM 504 CB THR A 36 -17.707 19.272 2.131 1.00 0.00 C ATOM 505 OG1 THR A 36 -17.362 18.272 1.182 1.00 0.00 O ATOM 506 CG2 THR A 36 -16.466 19.657 2.940 1.00 0.00 C ATOM 0 H THR A 36 -17.569 16.997 3.312 1.00 0.00 H new ATOM 0 HA THR A 36 -19.210 19.506 3.704 1.00 0.00 H new ATOM 0 HB THR A 36 -18.085 20.155 1.615 1.00 0.00 H new ATOM 0 HG1 THR A 36 -18.160 18.011 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.699 20.043 2.268 1.00 0.00 H new ATOM 0 HG22 THR A 36 -16.730 20.424 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 36 -16.084 18.779 3.461 1.00 0.00 H new ATOM 514 N TYR A 37 -21.025 17.774 2.906 1.00 0.00 N ATOM 515 CA TYR A 37 -22.202 17.214 2.192 1.00 0.00 C ATOM 516 C TYR A 37 -21.781 16.417 0.951 1.00 0.00 C ATOM 517 O TYR A 37 -22.557 16.367 0.012 1.00 0.00 O ATOM 518 CB TYR A 37 -23.014 18.442 1.805 1.00 0.00 C ATOM 519 CG TYR A 37 -22.306 19.204 0.709 1.00 0.00 C ATOM 520 CD1 TYR A 37 -22.558 18.903 -0.636 1.00 0.00 C ATOM 521 CD2 TYR A 37 -21.395 20.216 1.039 1.00 0.00 C ATOM 522 CE1 TYR A 37 -21.900 19.614 -1.648 1.00 0.00 C ATOM 523 CE2 TYR A 37 -20.738 20.925 0.027 1.00 0.00 C ATOM 524 CZ TYR A 37 -20.990 20.624 -1.317 1.00 0.00 C ATOM 525 OH TYR A 37 -20.345 21.326 -2.314 1.00 0.00 O ATOM 526 OXT TYR A 37 -20.692 15.866 0.967 1.00 0.00 O ATOM 0 H TYR A 37 -21.133 17.839 3.918 1.00 0.00 H new ATOM 0 HA TYR A 37 -22.765 16.513 2.808 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -24.006 18.141 1.468 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -23.154 19.085 2.674 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -23.259 18.123 -0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -21.200 20.449 2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -22.095 19.382 -2.685 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -20.036 21.705 0.283 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.749 21.992 -1.912 1.00 0.00 H new TER 536 TYR A 37