USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 486 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.146 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.374 K(o=-0.37,f=-2.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.875 X(o=-0.87,f=-1.3) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.311 K(o=-0.31,f=-2.7!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -74:sc= 0.27 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 76:sc= 0.00751 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS :FLIP no HD1:sc= -0.0457 F(o=-0.63,f=-0.046) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 64 HIS : no HD1:sc= -0.591 X(o=-0.59,f=-0.19) USER MOD Single : A 65 HIS : no HD1:sc= -0.0569 X(o=-0.057,f=-0.0072) USER MOD Single : A 66 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.2!) USER MOD Single : A 67 THR OG1 : rot -43:sc= -0.166! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0.218 K(o=0.22,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -35.887 38.943 14.242 1.00 0.00 N ATOM 2 CA MET A 1 -36.259 38.056 15.331 1.00 0.00 C ATOM 3 C MET A 1 -37.350 37.078 14.894 1.00 0.00 C ATOM 4 O MET A 1 -38.538 37.386 14.983 1.00 0.00 O ATOM 5 CB MET A 1 -36.760 38.885 16.515 1.00 0.00 C ATOM 6 CG MET A 1 -35.998 38.531 17.794 1.00 0.00 C ATOM 7 SD MET A 1 -36.134 39.864 18.974 1.00 0.00 S ATOM 8 CE MET A 1 -35.281 39.136 20.363 1.00 0.00 C ATOM 0 H1 MET A 1 -35.145 39.597 14.565 1.00 0.00 H new ATOM 0 H2 MET A 1 -35.530 38.381 13.443 1.00 0.00 H new ATOM 0 H3 MET A 1 -36.719 39.487 13.938 1.00 0.00 H new ATOM 0 HA MET A 1 -35.380 37.482 15.624 1.00 0.00 H new ATOM 0 HB2 MET A 1 -36.639 39.946 16.297 1.00 0.00 H new ATOM 0 HB3 MET A 1 -37.826 38.709 16.662 1.00 0.00 H new ATOM 0 HG2 MET A 1 -36.398 37.612 18.223 1.00 0.00 H new ATOM 0 HG3 MET A 1 -34.949 38.345 17.563 1.00 0.00 H new ATOM 0 HE1 MET A 1 -35.273 39.840 21.195 1.00 0.00 H new ATOM 0 HE2 MET A 1 -35.793 38.222 20.666 1.00 0.00 H new ATOM 0 HE3 MET A 1 -34.256 38.900 20.077 1.00 0.00 H new ATOM 18 N GLU A 2 -36.909 35.917 14.430 1.00 0.00 N ATOM 19 CA GLU A 2 -37.834 34.892 13.978 1.00 0.00 C ATOM 20 C GLU A 2 -37.757 33.668 14.893 1.00 0.00 C ATOM 21 O GLU A 2 -36.800 33.513 15.649 1.00 0.00 O ATOM 22 CB GLU A 2 -37.559 34.507 12.523 1.00 0.00 C ATOM 23 CG GLU A 2 -38.624 35.088 11.591 1.00 0.00 C ATOM 24 CD GLU A 2 -38.972 34.101 10.475 1.00 0.00 C ATOM 25 OE1 GLU A 2 -38.874 32.881 10.673 1.00 0.00 O ATOM 26 OE2 GLU A 2 -39.358 34.642 9.369 1.00 0.00 O ATOM 0 H GLU A 2 -35.923 35.664 14.358 1.00 0.00 H new ATOM 0 HA GLU A 2 -38.845 35.296 14.027 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -36.575 34.870 12.227 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -37.540 33.421 12.428 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -39.521 35.328 12.162 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -38.263 36.021 11.157 1.00 0.00 H new ATOM 34 N VAL A 3 -38.779 32.830 14.793 1.00 0.00 N ATOM 35 CA VAL A 3 -38.839 31.624 15.602 1.00 0.00 C ATOM 36 C VAL A 3 -38.197 30.467 14.834 1.00 0.00 C ATOM 37 O VAL A 3 -37.700 30.654 13.725 1.00 0.00 O ATOM 38 CB VAL A 3 -40.286 31.340 16.011 1.00 0.00 C ATOM 39 CG1 VAL A 3 -41.064 30.697 14.861 1.00 0.00 C ATOM 40 CG2 VAL A 3 -40.340 30.466 17.266 1.00 0.00 C ATOM 0 H VAL A 3 -39.571 32.962 14.165 1.00 0.00 H new ATOM 0 HA VAL A 3 -38.274 31.755 16.525 1.00 0.00 H new ATOM 0 HB VAL A 3 -40.761 32.293 16.246 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -42.089 30.505 15.178 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -41.069 31.370 14.004 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -40.589 29.757 14.581 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -41.380 30.279 17.535 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -39.840 29.517 17.071 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -39.839 30.978 18.088 1.00 0.00 H new ATOM 50 N ALA A 4 -38.227 29.297 15.456 1.00 0.00 N ATOM 51 CA ALA A 4 -37.654 28.110 14.845 1.00 0.00 C ATOM 52 C ALA A 4 -38.421 27.781 13.562 1.00 0.00 C ATOM 53 O ALA A 4 -39.589 28.142 13.423 1.00 0.00 O ATOM 54 CB ALA A 4 -37.676 26.957 15.850 1.00 0.00 C ATOM 0 H ALA A 4 -38.639 29.146 16.377 1.00 0.00 H new ATOM 0 HA ALA A 4 -36.613 28.283 14.571 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -37.246 26.066 15.392 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -37.093 27.230 16.730 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -38.705 26.752 16.146 1.00 0.00 H new ATOM 60 N MET A 5 -37.733 27.099 12.658 1.00 0.00 N ATOM 61 CA MET A 5 -38.335 26.717 11.392 1.00 0.00 C ATOM 62 C MET A 5 -39.671 26.005 11.613 1.00 0.00 C ATOM 63 O MET A 5 -39.757 25.070 12.408 1.00 0.00 O ATOM 64 CB MET A 5 -37.383 25.792 10.632 1.00 0.00 C ATOM 65 CG MET A 5 -37.433 26.069 9.128 1.00 0.00 C ATOM 66 SD MET A 5 -36.440 27.500 8.738 1.00 0.00 S ATOM 67 CE MET A 5 -37.282 28.070 7.270 1.00 0.00 C ATOM 0 H MET A 5 -36.765 26.801 12.777 1.00 0.00 H new ATOM 0 HA MET A 5 -38.518 27.621 10.811 1.00 0.00 H new ATOM 0 HB2 MET A 5 -36.366 25.932 10.997 1.00 0.00 H new ATOM 0 HB3 MET A 5 -37.650 24.753 10.823 1.00 0.00 H new ATOM 0 HG2 MET A 5 -37.068 25.202 8.578 1.00 0.00 H new ATOM 0 HG3 MET A 5 -38.464 26.235 8.814 1.00 0.00 H new ATOM 0 HE1 MET A 5 -36.788 28.965 6.891 1.00 0.00 H new ATOM 0 HE2 MET A 5 -37.254 27.290 6.509 1.00 0.00 H new ATOM 0 HE3 MET A 5 -38.319 28.303 7.513 1.00 0.00 H new ATOM 77 N VAL A 6 -40.681 26.475 10.895 1.00 0.00 N ATOM 78 CA VAL A 6 -42.009 25.894 11.003 1.00 0.00 C ATOM 79 C VAL A 6 -42.177 24.814 9.933 1.00 0.00 C ATOM 80 O VAL A 6 -41.443 24.793 8.946 1.00 0.00 O ATOM 81 CB VAL A 6 -43.070 26.994 10.913 1.00 0.00 C ATOM 82 CG1 VAL A 6 -44.392 26.532 11.530 1.00 0.00 C ATOM 83 CG2 VAL A 6 -42.578 28.284 11.573 1.00 0.00 C ATOM 0 H VAL A 6 -40.607 27.251 10.237 1.00 0.00 H new ATOM 0 HA VAL A 6 -42.138 25.414 11.973 1.00 0.00 H new ATOM 0 HB VAL A 6 -43.248 27.204 9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -45.129 27.332 11.453 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -44.754 25.653 10.998 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -44.236 26.282 12.579 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -43.350 29.050 11.496 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -42.359 28.094 12.624 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -41.674 28.628 11.070 1.00 0.00 H new ATOM 93 N SER A 7 -43.148 23.942 10.165 1.00 0.00 N ATOM 94 CA SER A 7 -43.421 22.861 9.233 1.00 0.00 C ATOM 95 C SER A 7 -43.999 23.424 7.933 1.00 0.00 C ATOM 96 O SER A 7 -45.162 23.822 7.888 1.00 0.00 O ATOM 97 CB SER A 7 -44.382 21.839 9.842 1.00 0.00 C ATOM 98 OG SER A 7 -43.916 20.502 9.677 1.00 0.00 O ATOM 0 H SER A 7 -43.755 23.962 10.985 1.00 0.00 H new ATOM 0 HA SER A 7 -42.482 22.352 9.015 1.00 0.00 H new ATOM 0 HB2 SER A 7 -44.510 22.050 10.904 1.00 0.00 H new ATOM 0 HB3 SER A 7 -45.362 21.941 9.376 1.00 0.00 H new ATOM 0 HG SER A 7 -44.557 19.880 10.081 1.00 0.00 H new ATOM 104 N ALA A 8 -43.160 23.439 6.908 1.00 0.00 N ATOM 105 CA ALA A 8 -43.573 23.947 5.611 1.00 0.00 C ATOM 106 C ALA A 8 -44.726 23.094 5.077 1.00 0.00 C ATOM 107 O ALA A 8 -44.500 22.046 4.475 1.00 0.00 O ATOM 108 CB ALA A 8 -42.373 23.963 4.662 1.00 0.00 C ATOM 0 H ALA A 8 -42.196 23.108 6.949 1.00 0.00 H new ATOM 0 HA ALA A 8 -43.933 24.972 5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -42.684 24.344 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -41.594 24.606 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -41.986 22.951 4.548 1.00 0.00 H new ATOM 114 N GLU A 9 -45.937 23.576 5.319 1.00 0.00 N ATOM 115 CA GLU A 9 -47.125 22.870 4.870 1.00 0.00 C ATOM 116 C GLU A 9 -47.145 21.449 5.437 1.00 0.00 C ATOM 117 O GLU A 9 -46.108 20.922 5.836 1.00 0.00 O ATOM 118 CB GLU A 9 -47.209 22.853 3.343 1.00 0.00 C ATOM 119 CG GLU A 9 -48.178 21.772 2.859 1.00 0.00 C ATOM 120 CD GLU A 9 -48.274 21.765 1.332 1.00 0.00 C ATOM 121 OE1 GLU A 9 -47.502 21.060 0.666 1.00 0.00 O ATOM 122 OE2 GLU A 9 -49.191 22.527 0.840 1.00 0.00 O ATOM 0 H GLU A 9 -46.120 24.446 5.819 1.00 0.00 H new ATOM 0 HA GLU A 9 -48.001 23.401 5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -47.537 23.828 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -46.219 22.674 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -47.844 20.796 3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -49.165 21.945 3.288 1.00 0.00 H new ATOM 130 N SER A 10 -48.336 20.869 5.454 1.00 0.00 N ATOM 131 CA SER A 10 -48.504 19.520 5.965 1.00 0.00 C ATOM 132 C SER A 10 -49.404 18.713 5.026 1.00 0.00 C ATOM 133 O SER A 10 -50.484 19.168 4.653 1.00 0.00 O ATOM 134 CB SER A 10 -49.090 19.535 7.378 1.00 0.00 C ATOM 135 OG SER A 10 -49.638 18.271 7.742 1.00 0.00 O ATOM 0 H SER A 10 -49.194 21.309 5.122 1.00 0.00 H new ATOM 0 HA SER A 10 -47.523 19.048 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 10 -48.312 19.812 8.090 1.00 0.00 H new ATOM 0 HB3 SER A 10 -49.866 20.298 7.441 1.00 0.00 H new ATOM 0 HG SER A 10 -50.001 18.321 8.651 1.00 0.00 H new ATOM 141 N SER A 11 -48.924 17.530 4.671 1.00 0.00 N ATOM 142 CA SER A 11 -49.672 16.656 3.783 1.00 0.00 C ATOM 143 C SER A 11 -49.283 15.197 4.035 1.00 0.00 C ATOM 144 O SER A 11 -48.183 14.917 4.508 1.00 0.00 O ATOM 145 CB SER A 11 -49.431 17.023 2.317 1.00 0.00 C ATOM 146 OG SER A 11 -49.675 18.404 2.066 1.00 0.00 O ATOM 0 H SER A 11 -48.027 17.157 4.982 1.00 0.00 H new ATOM 0 HA SER A 11 -50.734 16.784 3.992 1.00 0.00 H new ATOM 0 HB2 SER A 11 -48.403 16.781 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 11 -50.078 16.419 1.681 1.00 0.00 H new ATOM 0 HG SER A 11 -49.509 18.599 1.120 1.00 0.00 H new ATOM 152 N GLY A 12 -50.209 14.307 3.709 1.00 0.00 N ATOM 153 CA GLY A 12 -49.977 12.885 3.895 1.00 0.00 C ATOM 154 C GLY A 12 -51.017 12.278 4.839 1.00 0.00 C ATOM 155 O GLY A 12 -51.087 12.647 6.011 1.00 0.00 O ATOM 0 H GLY A 12 -51.121 14.543 3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -50.016 12.378 2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -48.977 12.726 4.299 1.00 0.00 H new ATOM 159 N CYS A 13 -51.800 11.359 4.294 1.00 0.00 N ATOM 160 CA CYS A 13 -52.833 10.698 5.073 1.00 0.00 C ATOM 161 C CYS A 13 -53.145 9.353 4.415 1.00 0.00 C ATOM 162 O CYS A 13 -54.233 9.159 3.875 1.00 0.00 O ATOM 163 CB CYS A 13 -54.083 11.570 5.211 1.00 0.00 C ATOM 164 SG CYS A 13 -54.642 11.593 6.953 1.00 0.00 S ATOM 0 H CYS A 13 -51.740 11.056 3.322 1.00 0.00 H new ATOM 0 HA CYS A 13 -52.474 10.530 6.088 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -53.867 12.585 4.876 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -54.877 11.185 4.571 1.00 0.00 H new ATOM 0 HG CYS A 13 -55.702 12.338 7.059 1.00 0.00 H new ATOM 170 N ASN A 14 -52.170 8.458 4.480 1.00 0.00 N ATOM 171 CA ASN A 14 -52.327 7.136 3.897 1.00 0.00 C ATOM 172 C ASN A 14 -52.848 6.171 4.964 1.00 0.00 C ATOM 173 O ASN A 14 -52.645 4.962 4.864 1.00 0.00 O ATOM 174 CB ASN A 14 -50.990 6.598 3.384 1.00 0.00 C ATOM 175 CG ASN A 14 -50.970 6.544 1.855 1.00 0.00 C ATOM 176 OD1 ASN A 14 -51.787 7.144 1.177 1.00 0.00 O ATOM 177 ND2 ASN A 14 -49.994 5.793 1.353 1.00 0.00 N ATOM 0 H ASN A 14 -51.268 8.622 4.928 1.00 0.00 H new ATOM 0 HA ASN A 14 -53.027 7.215 3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -50.178 7.233 3.740 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -50.816 5.601 3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -49.896 5.693 0.343 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -49.343 5.317 1.978 1.00 0.00 H new ATOM 184 N SER A 15 -53.509 6.742 5.960 1.00 0.00 N ATOM 185 CA SER A 15 -54.060 5.947 7.045 1.00 0.00 C ATOM 186 C SER A 15 -53.008 4.961 7.558 1.00 0.00 C ATOM 187 O SER A 15 -52.942 3.823 7.097 1.00 0.00 O ATOM 188 CB SER A 15 -55.315 5.197 6.595 1.00 0.00 C ATOM 189 OG SER A 15 -56.322 6.083 6.112 1.00 0.00 O ATOM 0 H SER A 15 -53.676 7.745 6.039 1.00 0.00 H new ATOM 0 HA SER A 15 -54.342 6.621 7.854 1.00 0.00 H new ATOM 0 HB2 SER A 15 -55.051 4.486 5.812 1.00 0.00 H new ATOM 0 HB3 SER A 15 -55.711 4.619 7.430 1.00 0.00 H new ATOM 0 HG SER A 15 -57.106 5.566 5.833 1.00 0.00 H new ATOM 195 N HIS A 16 -52.212 5.435 8.505 1.00 0.00 N ATOM 196 CA HIS A 16 -51.167 4.609 9.086 1.00 0.00 C ATOM 197 C HIS A 16 -50.622 5.283 10.347 1.00 0.00 C ATOM 198 O HIS A 16 -49.613 5.984 10.293 1.00 0.00 O ATOM 199 CB HIS A 16 -50.076 4.309 8.056 1.00 0.00 C ATOM 200 CG HIS A 16 -49.279 3.060 8.351 1.00 0.00 C ATOM 201 ND1 HIS A 16 -49.277 1.958 7.515 1.00 0.00 N ATOM 202 CD2 HIS A 16 -48.460 2.753 9.397 1.00 0.00 C ATOM 203 CE1 HIS A 16 -48.489 1.033 8.044 1.00 0.00 C ATOM 204 NE2 HIS A 16 -47.983 1.528 9.210 1.00 0.00 N ATOM 0 H HIS A 16 -52.269 6.380 8.884 1.00 0.00 H new ATOM 0 HA HIS A 16 -51.582 3.645 9.381 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -50.536 4.210 7.073 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -49.395 5.159 8.005 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -48.237 3.397 10.235 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -48.284 0.059 7.626 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -47.343 1.038 9.835 1.00 0.00 H new ATOM 212 N MET A 17 -51.314 5.046 11.452 1.00 0.00 N ATOM 213 CA MET A 17 -50.912 5.621 12.724 1.00 0.00 C ATOM 214 C MET A 17 -49.618 4.980 13.231 1.00 0.00 C ATOM 215 O MET A 17 -48.668 5.681 13.577 1.00 0.00 O ATOM 216 CB MET A 17 -52.024 5.411 13.754 1.00 0.00 C ATOM 217 CG MET A 17 -52.522 6.749 14.304 1.00 0.00 C ATOM 218 SD MET A 17 -51.364 7.383 15.505 1.00 0.00 S ATOM 219 CE MET A 17 -52.215 6.950 17.014 1.00 0.00 C ATOM 0 H MET A 17 -52.150 4.464 11.492 1.00 0.00 H new ATOM 0 HA MET A 17 -50.735 6.687 12.580 1.00 0.00 H new ATOM 0 HB2 MET A 17 -52.852 4.871 13.295 1.00 0.00 H new ATOM 0 HB3 MET A 17 -51.655 4.792 14.572 1.00 0.00 H new ATOM 0 HG2 MET A 17 -52.643 7.464 13.490 1.00 0.00 H new ATOM 0 HG3 MET A 17 -53.502 6.621 14.764 1.00 0.00 H new ATOM 0 HE1 MET A 17 -51.625 7.276 17.871 1.00 0.00 H new ATOM 0 HE2 MET A 17 -53.189 7.440 17.036 1.00 0.00 H new ATOM 0 HE3 MET A 17 -52.351 5.869 17.058 1.00 0.00 H new ATOM 229 N PRO A 18 -49.624 3.621 13.260 1.00 0.00 N ATOM 230 CA PRO A 18 -48.462 2.878 13.720 1.00 0.00 C ATOM 231 C PRO A 18 -47.354 2.885 12.665 1.00 0.00 C ATOM 232 O PRO A 18 -47.261 1.968 11.850 1.00 0.00 O ATOM 233 CB PRO A 18 -48.983 1.482 14.024 1.00 0.00 C ATOM 234 CG PRO A 18 -50.308 1.363 13.288 1.00 0.00 C ATOM 235 CD PRO A 18 -50.731 2.758 12.858 1.00 0.00 C ATOM 0 HA PRO A 18 -48.004 3.320 14.605 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -48.279 0.721 13.688 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -49.118 1.340 15.096 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -50.205 0.711 12.420 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -51.064 0.917 13.934 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -50.901 2.807 11.782 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -51.661 3.056 13.341 1.00 0.00 H new ATOM 243 N TYR A 19 -46.541 3.930 12.714 1.00 0.00 N ATOM 244 CA TYR A 19 -45.443 4.069 11.773 1.00 0.00 C ATOM 245 C TYR A 19 -44.188 3.362 12.287 1.00 0.00 C ATOM 246 O TYR A 19 -43.179 4.007 12.569 1.00 0.00 O ATOM 247 CB TYR A 19 -45.163 5.570 11.671 1.00 0.00 C ATOM 248 CG TYR A 19 -44.717 6.026 10.280 1.00 0.00 C ATOM 249 CD1 TYR A 19 -45.635 6.105 9.252 1.00 0.00 C ATOM 250 CD2 TYR A 19 -43.398 6.360 10.053 1.00 0.00 C ATOM 251 CE1 TYR A 19 -45.216 6.534 7.943 1.00 0.00 C ATOM 252 CE2 TYR A 19 -42.978 6.789 8.744 1.00 0.00 C ATOM 253 CZ TYR A 19 -43.908 6.855 7.754 1.00 0.00 C ATOM 254 OH TYR A 19 -43.512 7.261 6.518 1.00 0.00 O ATOM 0 H TYR A 19 -46.621 4.689 13.391 1.00 0.00 H new ATOM 0 HA TYR A 19 -45.703 3.626 10.812 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -46.063 6.117 11.950 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -44.392 5.835 12.394 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -46.668 5.845 9.430 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -42.680 6.300 10.857 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -45.924 6.599 7.130 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -41.948 7.052 8.553 1.00 0.00 H new ATOM 0 HH TYR A 19 -42.552 7.458 6.530 1.00 0.00 H new ATOM 264 N GLY A 20 -44.291 2.046 12.394 1.00 0.00 N ATOM 265 CA GLY A 20 -43.176 1.244 12.869 1.00 0.00 C ATOM 266 C GLY A 20 -42.065 1.172 11.819 1.00 0.00 C ATOM 267 O GLY A 20 -41.011 0.587 12.064 1.00 0.00 O ATOM 0 H GLY A 20 -45.129 1.514 12.160 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -42.783 1.672 13.791 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -43.522 0.238 13.107 1.00 0.00 H new ATOM 271 N TYR A 21 -42.340 1.775 10.672 1.00 0.00 N ATOM 272 CA TYR A 21 -41.377 1.787 9.584 1.00 0.00 C ATOM 273 C TYR A 21 -40.105 2.537 9.985 1.00 0.00 C ATOM 274 O TYR A 21 -39.043 2.321 9.403 1.00 0.00 O ATOM 275 CB TYR A 21 -42.052 2.532 8.431 1.00 0.00 C ATOM 276 CG TYR A 21 -41.266 2.493 7.119 1.00 0.00 C ATOM 277 CD1 TYR A 21 -40.164 3.305 6.950 1.00 0.00 C ATOM 278 CD2 TYR A 21 -41.660 1.644 6.104 1.00 0.00 C ATOM 279 CE1 TYR A 21 -39.424 3.268 5.715 1.00 0.00 C ATOM 280 CE2 TYR A 21 -40.920 1.607 4.869 1.00 0.00 C ATOM 281 CZ TYR A 21 -39.839 2.421 4.736 1.00 0.00 C ATOM 282 OH TYR A 21 -39.140 2.385 3.569 1.00 0.00 O ATOM 0 H TYR A 21 -43.216 2.259 10.472 1.00 0.00 H new ATOM 0 HA TYR A 21 -41.091 0.770 9.314 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -43.040 2.103 8.264 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -42.202 3.572 8.722 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -39.856 3.969 7.744 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -42.523 1.008 6.236 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -38.559 3.899 5.570 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -41.217 0.948 4.067 1.00 0.00 H new ATOM 0 HH TYR A 21 -39.550 1.734 2.962 1.00 0.00 H new ATOM 292 N ALA A 22 -40.255 3.403 10.976 1.00 0.00 N ATOM 293 CA ALA A 22 -39.132 4.187 11.461 1.00 0.00 C ATOM 294 C ALA A 22 -38.442 3.430 12.598 1.00 0.00 C ATOM 295 O ALA A 22 -37.925 4.042 13.532 1.00 0.00 O ATOM 296 CB ALA A 22 -39.623 5.569 11.895 1.00 0.00 C ATOM 0 H ALA A 22 -41.137 3.579 11.456 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.398 4.336 10.670 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -38.780 6.157 12.259 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -40.079 6.076 11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -40.360 5.460 12.691 1.00 0.00 H new ATOM 302 N ALA A 23 -38.455 2.111 12.482 1.00 0.00 N ATOM 303 CA ALA A 23 -37.837 1.264 13.488 1.00 0.00 C ATOM 304 C ALA A 23 -36.374 1.019 13.113 1.00 0.00 C ATOM 305 O ALA A 23 -35.622 0.428 13.887 1.00 0.00 O ATOM 306 CB ALA A 23 -38.631 -0.037 13.620 1.00 0.00 C ATOM 0 H ALA A 23 -38.884 1.607 11.706 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.851 1.753 14.462 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.167 -0.672 14.375 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.655 0.190 13.917 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.638 -0.558 12.662 1.00 0.00 H new ATOM 312 N GLN A 24 -36.014 1.486 11.927 1.00 0.00 N ATOM 313 CA GLN A 24 -34.655 1.325 11.440 1.00 0.00 C ATOM 314 C GLN A 24 -33.751 2.417 12.017 1.00 0.00 C ATOM 315 O GLN A 24 -32.550 2.438 11.752 1.00 0.00 O ATOM 316 CB GLN A 24 -34.615 1.332 9.911 1.00 0.00 C ATOM 317 CG GLN A 24 -35.356 0.122 9.338 1.00 0.00 C ATOM 318 CD GLN A 24 -34.375 -0.981 8.935 1.00 0.00 C ATOM 319 OE1 GLN A 24 -33.170 -0.793 8.897 1.00 0.00 O ATOM 320 NE2 GLN A 24 -34.957 -2.140 8.637 1.00 0.00 N ATOM 0 H GLN A 24 -36.640 1.976 11.289 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.283 0.357 11.776 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.066 2.251 9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -33.580 1.324 9.571 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -36.058 -0.263 10.078 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -35.942 0.427 8.471 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -35.972 -2.229 8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -34.388 -2.939 8.356 1.00 0.00 H new ATOM 329 N ALA A 25 -34.364 3.298 12.793 1.00 0.00 N ATOM 330 CA ALA A 25 -33.630 4.391 13.409 1.00 0.00 C ATOM 331 C ALA A 25 -32.555 3.819 14.335 1.00 0.00 C ATOM 332 O ALA A 25 -31.588 4.503 14.667 1.00 0.00 O ATOM 333 CB ALA A 25 -34.606 5.310 14.147 1.00 0.00 C ATOM 0 H ALA A 25 -35.361 3.278 13.010 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.127 4.991 12.651 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.056 6.130 14.609 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.331 5.713 13.440 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.127 4.743 14.918 1.00 0.00 H new ATOM 339 N ARG A 26 -32.760 2.570 14.727 1.00 0.00 N ATOM 340 CA ARG A 26 -31.820 1.898 15.608 1.00 0.00 C ATOM 341 C ARG A 26 -30.533 1.559 14.853 1.00 0.00 C ATOM 342 O ARG A 26 -29.453 1.533 15.440 1.00 0.00 O ATOM 343 CB ARG A 26 -32.422 0.613 16.179 1.00 0.00 C ATOM 344 CG ARG A 26 -31.971 0.390 17.624 1.00 0.00 C ATOM 345 CD ARG A 26 -32.008 -1.096 17.987 1.00 0.00 C ATOM 346 NE ARG A 26 -30.631 -1.607 18.170 1.00 0.00 N ATOM 347 CZ ARG A 26 -30.323 -2.911 18.334 1.00 0.00 C ATOM 348 NH1 ARG A 26 -31.294 -3.849 18.340 1.00 0.00 N ATOM 349 NH2 ARG A 26 -29.058 -3.255 18.489 1.00 0.00 N ATOM 0 H ARG A 26 -33.563 2.006 14.451 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.594 2.577 16.431 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.510 0.668 16.138 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.122 -0.237 15.566 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -30.960 0.775 17.757 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -32.617 0.950 18.301 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -32.583 -1.241 18.902 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -32.512 -1.658 17.201 1.00 0.00 H new ATOM 0 HE ARG A 26 -29.867 -0.931 18.172 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -32.269 -3.574 18.220 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -31.053 -4.832 18.464 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -28.331 -2.540 18.484 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -28.808 -4.236 18.614 1.00 0.00 H new ATOM 362 N ALA A 27 -30.692 1.307 13.562 1.00 0.00 N ATOM 363 CA ALA A 27 -29.557 0.970 12.720 1.00 0.00 C ATOM 364 C ALA A 27 -28.679 2.210 12.535 1.00 0.00 C ATOM 365 O ALA A 27 -27.464 2.097 12.382 1.00 0.00 O ATOM 366 CB ALA A 27 -30.058 0.407 11.388 1.00 0.00 C ATOM 0 H ALA A 27 -31.590 1.329 13.079 1.00 0.00 H new ATOM 0 HA ALA A 27 -28.946 0.200 13.190 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.206 0.154 10.756 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.652 -0.488 11.572 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.673 1.154 10.886 1.00 0.00 H new ATOM 372 N ARG A 28 -29.329 3.364 12.555 1.00 0.00 N ATOM 373 CA ARG A 28 -28.623 4.623 12.392 1.00 0.00 C ATOM 374 C ARG A 28 -27.618 4.820 13.529 1.00 0.00 C ATOM 375 O ARG A 28 -26.575 5.444 13.339 1.00 0.00 O ATOM 376 CB ARG A 28 -29.598 5.803 12.372 1.00 0.00 C ATOM 377 CG ARG A 28 -29.139 6.876 11.383 1.00 0.00 C ATOM 378 CD ARG A 28 -30.338 7.558 10.719 1.00 0.00 C ATOM 379 NE ARG A 28 -30.565 8.887 11.328 1.00 0.00 N ATOM 380 CZ ARG A 28 -31.312 9.096 12.433 1.00 0.00 C ATOM 381 NH1 ARG A 28 -31.911 8.062 13.060 1.00 0.00 N ATOM 382 NH2 ARG A 28 -31.448 10.327 12.890 1.00 0.00 N ATOM 0 H ARG A 28 -30.337 3.454 12.682 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.095 4.586 11.439 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.593 5.453 12.098 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.675 6.233 13.371 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -28.535 7.620 11.902 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -28.504 6.425 10.620 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -30.160 7.665 9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -31.228 6.939 10.834 1.00 0.00 H new ATOM 0 HE ARG A 28 -30.130 9.696 10.885 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -31.801 7.114 12.700 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -32.474 8.228 13.894 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -30.992 11.103 12.409 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -32.009 10.502 13.724 1.00 0.00 H new ATOM 395 N GLU A 29 -27.967 4.275 14.685 1.00 0.00 N ATOM 396 CA GLU A 29 -27.109 4.383 15.852 1.00 0.00 C ATOM 397 C GLU A 29 -25.993 3.337 15.789 1.00 0.00 C ATOM 398 O GLU A 29 -24.930 3.522 16.379 1.00 0.00 O ATOM 399 CB GLU A 29 -27.918 4.243 17.143 1.00 0.00 C ATOM 400 CG GLU A 29 -27.304 5.079 18.268 1.00 0.00 C ATOM 401 CD GLU A 29 -28.226 6.237 18.657 1.00 0.00 C ATOM 402 OE1 GLU A 29 -28.874 6.186 19.712 1.00 0.00 O ATOM 403 OE2 GLU A 29 -28.254 7.216 17.817 1.00 0.00 O ATOM 0 H GLU A 29 -28.832 3.757 14.838 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.654 5.373 15.853 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -28.946 4.561 16.968 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.954 3.195 17.442 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -27.121 4.447 19.137 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -26.338 5.470 17.949 1.00 0.00 H new ATOM 411 N ARG A 30 -26.274 2.262 15.068 1.00 0.00 N ATOM 412 CA ARG A 30 -25.308 1.187 14.920 1.00 0.00 C ATOM 413 C ARG A 30 -24.422 1.433 13.697 1.00 0.00 C ATOM 414 O ARG A 30 -23.270 1.004 13.663 1.00 0.00 O ATOM 415 CB ARG A 30 -26.008 -0.166 14.770 1.00 0.00 C ATOM 416 CG ARG A 30 -26.111 -0.882 16.118 1.00 0.00 C ATOM 417 CD ARG A 30 -25.994 -2.398 15.944 1.00 0.00 C ATOM 418 NE ARG A 30 -24.651 -2.854 16.367 1.00 0.00 N ATOM 419 CZ ARG A 30 -24.166 -4.094 16.141 1.00 0.00 C ATOM 420 NH1 ARG A 30 -24.913 -5.013 15.493 1.00 0.00 N ATOM 421 NH2 ARG A 30 -22.952 -4.393 16.563 1.00 0.00 N ATOM 0 H ARG A 30 -27.157 2.112 14.580 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.693 1.168 15.820 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.005 -0.020 14.355 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.457 -0.788 14.065 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.324 -0.527 16.783 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.062 -0.639 16.591 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -26.760 -2.900 16.534 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -26.167 -2.667 14.902 1.00 0.00 H new ATOM 0 HE ARG A 30 -24.054 -2.190 16.860 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -25.850 -4.773 15.170 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -24.540 -5.948 15.326 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -22.395 -3.692 17.052 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -22.571 -5.325 16.400 1.00 0.00 H new ATOM 434 N GLU A 31 -24.994 2.125 12.722 1.00 0.00 N ATOM 435 CA GLU A 31 -24.271 2.434 11.500 1.00 0.00 C ATOM 436 C GLU A 31 -23.120 3.398 11.794 1.00 0.00 C ATOM 437 O GLU A 31 -22.145 3.453 11.046 1.00 0.00 O ATOM 438 CB GLU A 31 -25.211 3.009 10.438 1.00 0.00 C ATOM 439 CG GLU A 31 -25.823 1.895 9.586 1.00 0.00 C ATOM 440 CD GLU A 31 -24.930 1.567 8.387 1.00 0.00 C ATOM 441 OE1 GLU A 31 -25.285 1.892 7.244 1.00 0.00 O ATOM 442 OE2 GLU A 31 -23.832 0.955 8.676 1.00 0.00 O ATOM 0 H GLU A 31 -25.950 2.480 12.754 1.00 0.00 H new ATOM 0 HA GLU A 31 -23.852 1.509 11.104 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.004 3.580 10.920 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -24.663 3.701 9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -25.963 1.002 10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -26.809 2.200 9.237 1.00 0.00 H new ATOM 450 N ARG A 32 -23.272 4.134 12.885 1.00 0.00 N ATOM 451 CA ARG A 32 -22.257 5.093 13.287 1.00 0.00 C ATOM 452 C ARG A 32 -20.923 4.384 13.531 1.00 0.00 C ATOM 453 O ARG A 32 -19.860 4.971 13.339 1.00 0.00 O ATOM 454 CB ARG A 32 -22.673 5.835 14.559 1.00 0.00 C ATOM 455 CG ARG A 32 -21.671 6.939 14.902 1.00 0.00 C ATOM 456 CD ARG A 32 -22.373 8.136 15.546 1.00 0.00 C ATOM 457 NE ARG A 32 -22.296 9.311 14.650 1.00 0.00 N ATOM 458 CZ ARG A 32 -21.241 10.151 14.594 1.00 0.00 C ATOM 459 NH1 ARG A 32 -20.164 9.953 15.383 1.00 0.00 N ATOM 460 NH2 ARG A 32 -21.278 11.170 13.755 1.00 0.00 N ATOM 0 H ARG A 32 -24.082 4.086 13.503 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.145 5.816 12.479 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.664 6.268 14.424 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.742 5.131 15.389 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -20.913 6.549 15.581 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -21.154 7.260 13.998 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -23.416 7.891 15.749 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -21.908 8.368 16.504 1.00 0.00 H new ATOM 0 HE ARG A 32 -23.089 9.498 14.037 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.143 9.163 16.028 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.371 10.593 15.334 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.095 11.313 13.162 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.489 11.814 13.700 1.00 0.00 H new ATOM 473 N LEU A 33 -21.024 3.132 13.951 1.00 0.00 N ATOM 474 CA LEU A 33 -19.839 2.336 14.223 1.00 0.00 C ATOM 475 C LEU A 33 -19.415 1.608 12.947 1.00 0.00 C ATOM 476 O LEU A 33 -18.305 1.082 12.867 1.00 0.00 O ATOM 477 CB LEU A 33 -20.081 1.404 15.412 1.00 0.00 C ATOM 478 CG LEU A 33 -19.064 1.492 16.552 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.300 2.742 17.402 1.00 0.00 C ATOM 480 CD2 LEU A 33 -19.072 0.216 17.395 1.00 0.00 C ATOM 0 H LEU A 33 -21.908 2.649 14.110 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.008 2.978 14.515 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.071 1.615 15.818 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.098 0.378 15.046 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.069 1.582 16.115 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.564 2.780 18.205 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -19.203 3.630 16.778 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.302 2.707 17.830 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -18.340 0.306 18.198 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -20.064 0.069 17.823 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -18.818 -0.637 16.766 1.00 0.00 H new ATOM 492 N ALA A 34 -20.320 1.600 11.979 1.00 0.00 N ATOM 493 CA ALA A 34 -20.053 0.944 10.710 1.00 0.00 C ATOM 494 C ALA A 34 -19.242 1.884 9.816 1.00 0.00 C ATOM 495 O ALA A 34 -18.976 1.569 8.657 1.00 0.00 O ATOM 496 CB ALA A 34 -21.375 0.523 10.065 1.00 0.00 C ATOM 0 H ALA A 34 -21.239 2.037 12.048 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.462 0.041 10.862 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.175 0.031 9.113 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -21.899 -0.166 10.727 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -21.994 1.404 9.895 1.00 0.00 H new ATOM 502 N HIS A 35 -18.871 3.020 10.388 1.00 0.00 N ATOM 503 CA HIS A 35 -18.096 4.008 9.657 1.00 0.00 C ATOM 504 C HIS A 35 -16.603 3.741 9.859 1.00 0.00 C ATOM 505 O HIS A 35 -15.767 4.310 9.160 1.00 0.00 O ATOM 506 CB HIS A 35 -18.504 5.426 10.061 1.00 0.00 C ATOM 507 CG HIS A 35 -19.511 6.064 9.133 1.00 0.00 C ATOM 508 ND1 HIS A 35 -19.144 6.844 8.051 1.00 0.00 N ATOM 509 CD2 HIS A 35 -20.874 6.027 9.136 1.00 0.00 C ATOM 510 CE1 HIS A 35 -20.245 7.254 7.438 1.00 0.00 C ATOM 511 NE2 HIS A 35 -21.316 6.747 8.113 1.00 0.00 N ATOM 0 H HIS A 35 -19.093 3.278 11.350 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.304 3.922 8.591 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -18.919 5.400 11.069 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -17.613 6.052 10.099 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -21.490 5.501 9.850 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -20.287 7.880 6.559 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -22.296 6.897 7.871 1.00 0.00 H new ATOM 519 N SER A 36 -16.314 2.874 10.819 1.00 0.00 N ATOM 520 CA SER A 36 -14.937 2.525 11.122 1.00 0.00 C ATOM 521 C SER A 36 -14.505 1.323 10.280 1.00 0.00 C ATOM 522 O SER A 36 -13.312 1.086 10.095 1.00 0.00 O ATOM 523 CB SER A 36 -14.761 2.220 12.611 1.00 0.00 C ATOM 524 OG SER A 36 -15.216 0.912 12.946 1.00 0.00 O ATOM 0 H SER A 36 -17.010 2.403 11.397 1.00 0.00 H new ATOM 0 HA SER A 36 -14.306 3.379 10.876 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.709 2.317 12.879 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.309 2.956 13.199 1.00 0.00 H new ATOM 0 HG SER A 36 -16.196 0.895 12.941 1.00 0.00 H new ATOM 530 N ARG A 37 -15.499 0.595 9.792 1.00 0.00 N ATOM 531 CA ARG A 37 -15.237 -0.577 8.974 1.00 0.00 C ATOM 532 C ARG A 37 -15.161 -0.187 7.497 1.00 0.00 C ATOM 533 O ARG A 37 -15.165 -1.051 6.622 1.00 0.00 O ATOM 534 CB ARG A 37 -16.327 -1.634 9.160 1.00 0.00 C ATOM 535 CG ARG A 37 -15.721 -3.035 9.259 1.00 0.00 C ATOM 536 CD ARG A 37 -15.846 -3.587 10.681 1.00 0.00 C ATOM 537 NE ARG A 37 -14.713 -3.116 11.508 1.00 0.00 N ATOM 538 CZ ARG A 37 -13.487 -3.682 11.504 1.00 0.00 C ATOM 539 NH1 ARG A 37 -13.226 -4.745 10.715 1.00 0.00 N ATOM 540 NH2 ARG A 37 -12.548 -3.179 12.284 1.00 0.00 N ATOM 0 H ARG A 37 -16.487 0.794 9.947 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.283 -0.996 9.292 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.899 -1.417 10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.024 -1.594 8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.224 -3.703 8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.671 -3.002 8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.789 -3.265 11.123 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.861 -4.677 10.657 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.868 -2.314 12.119 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.958 -5.127 10.116 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.297 -5.167 10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.754 -2.375 12.877 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.616 -3.594 12.293 1.00 0.00 H new ATOM 553 N ALA A 38 -15.093 1.116 7.264 1.00 0.00 N ATOM 554 CA ALA A 38 -15.016 1.631 5.908 1.00 0.00 C ATOM 555 C ALA A 38 -13.548 1.741 5.491 1.00 0.00 C ATOM 556 O ALA A 38 -13.126 1.111 4.522 1.00 0.00 O ATOM 557 CB ALA A 38 -15.746 2.974 5.830 1.00 0.00 C ATOM 0 H ALA A 38 -15.090 1.830 7.992 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.507 0.952 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.688 3.361 4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.791 2.837 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.279 3.682 6.514 1.00 0.00 H new ATOM 563 N ALA A 39 -12.811 2.545 6.243 1.00 0.00 N ATOM 564 CA ALA A 39 -11.399 2.745 5.964 1.00 0.00 C ATOM 565 C ALA A 39 -10.580 1.704 6.729 1.00 0.00 C ATOM 566 O ALA A 39 -11.012 1.212 7.770 1.00 0.00 O ATOM 567 CB ALA A 39 -11.005 4.178 6.325 1.00 0.00 C ATOM 0 H ALA A 39 -13.165 3.066 7.045 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.195 2.609 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.946 4.328 6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.595 4.878 5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.193 4.351 7.385 1.00 0.00 H new ATOM 573 N ALA A 40 -9.411 1.400 6.184 1.00 0.00 N ATOM 574 CA ALA A 40 -8.527 0.427 6.803 1.00 0.00 C ATOM 575 C ALA A 40 -7.613 1.138 7.803 1.00 0.00 C ATOM 576 O ALA A 40 -7.631 0.830 8.994 1.00 0.00 O ATOM 577 CB ALA A 40 -7.741 -0.312 5.718 1.00 0.00 C ATOM 0 H ALA A 40 -9.056 1.810 5.321 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.102 -0.318 7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.078 -1.042 6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.435 -0.824 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.150 0.403 5.146 1.00 0.00 H new ATOM 583 N ALA A 41 -6.835 2.075 7.282 1.00 0.00 N ATOM 584 CA ALA A 41 -5.916 2.833 8.114 1.00 0.00 C ATOM 585 C ALA A 41 -4.873 1.884 8.708 1.00 0.00 C ATOM 586 O ALA A 41 -4.780 1.741 9.926 1.00 0.00 O ATOM 587 CB ALA A 41 -6.702 3.583 9.191 1.00 0.00 C ATOM 0 H ALA A 41 -6.822 2.327 6.294 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.385 3.577 7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.013 4.152 9.815 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.409 4.264 8.717 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.245 2.868 9.809 1.00 0.00 H new ATOM 593 N ALA A 42 -4.113 1.260 7.819 1.00 0.00 N ATOM 594 CA ALA A 42 -3.080 0.329 8.240 1.00 0.00 C ATOM 595 C ALA A 42 -1.715 0.848 7.783 1.00 0.00 C ATOM 596 O ALA A 42 -0.886 1.235 8.606 1.00 0.00 O ATOM 597 CB ALA A 42 -3.390 -1.062 7.686 1.00 0.00 C ATOM 0 H ALA A 42 -4.192 1.381 6.809 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.055 0.249 9.327 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.615 -1.760 8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.356 -1.397 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.420 -1.022 6.597 1.00 0.00 H new ATOM 603 N ALA A 43 -1.523 0.839 6.472 1.00 0.00 N ATOM 604 CA ALA A 43 -0.273 1.304 5.895 1.00 0.00 C ATOM 605 C ALA A 43 0.093 2.659 6.506 1.00 0.00 C ATOM 606 O ALA A 43 1.261 3.042 6.519 1.00 0.00 O ATOM 607 CB ALA A 43 -0.405 1.367 4.372 1.00 0.00 C ATOM 0 H ALA A 43 -2.212 0.517 5.793 1.00 0.00 H new ATOM 0 HA ALA A 43 0.536 0.610 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.533 1.716 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.636 0.374 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.206 2.056 4.104 1.00 0.00 H new ATOM 613 N VAL A 44 -0.928 3.346 6.996 1.00 0.00 N ATOM 614 CA VAL A 44 -0.729 4.649 7.606 1.00 0.00 C ATOM 615 C VAL A 44 -0.601 4.484 9.122 1.00 0.00 C ATOM 616 O VAL A 44 0.100 5.255 9.777 1.00 0.00 O ATOM 617 CB VAL A 44 -1.862 5.595 7.202 1.00 0.00 C ATOM 618 CG1 VAL A 44 -2.359 6.401 8.404 1.00 0.00 C ATOM 619 CG2 VAL A 44 -1.425 6.520 6.065 1.00 0.00 C ATOM 0 H VAL A 44 -1.896 3.025 6.983 1.00 0.00 H new ATOM 0 HA VAL A 44 0.197 5.100 7.248 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.692 4.988 6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.164 7.065 8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.729 5.720 9.171 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.538 6.993 8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.249 7.182 5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.571 7.116 6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.143 5.923 5.198 1.00 0.00 H new ATOM 629 N ALA A 45 -1.287 3.474 9.635 1.00 0.00 N ATOM 630 CA ALA A 45 -1.258 3.197 11.061 1.00 0.00 C ATOM 631 C ALA A 45 0.175 3.346 11.576 1.00 0.00 C ATOM 632 O ALA A 45 0.437 4.150 12.469 1.00 0.00 O ATOM 633 CB ALA A 45 -1.830 1.802 11.323 1.00 0.00 C ATOM 0 H ALA A 45 -1.867 2.837 9.089 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.879 3.910 11.603 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.808 1.595 12.393 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.859 1.758 10.966 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.231 1.059 10.797 1.00 0.00 H new ATOM 639 N ALA A 46 1.065 2.558 10.991 1.00 0.00 N ATOM 640 CA ALA A 46 2.464 2.592 11.380 1.00 0.00 C ATOM 641 C ALA A 46 3.000 4.016 11.218 1.00 0.00 C ATOM 642 O ALA A 46 3.435 4.633 12.188 1.00 0.00 O ATOM 643 CB ALA A 46 3.250 1.576 10.549 1.00 0.00 C ATOM 0 H ALA A 46 0.844 1.892 10.251 1.00 0.00 H new ATOM 0 HA ALA A 46 2.577 2.314 12.428 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.300 1.602 10.841 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.850 0.577 10.722 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.161 1.825 9.491 1.00 0.00 H new ATOM 649 N ALA A 47 2.950 4.496 9.984 1.00 0.00 N ATOM 650 CA ALA A 47 3.424 5.836 9.682 1.00 0.00 C ATOM 651 C ALA A 47 2.635 6.851 10.513 1.00 0.00 C ATOM 652 O ALA A 47 1.779 6.473 11.311 1.00 0.00 O ATOM 653 CB ALA A 47 3.304 6.094 8.179 1.00 0.00 C ATOM 0 H ALA A 47 2.588 3.981 9.181 1.00 0.00 H new ATOM 0 HA ALA A 47 4.476 5.939 9.947 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.660 7.099 7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.906 5.365 7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.261 6.001 7.876 1.00 0.00 H new ATOM 659 N THR A 48 2.953 8.119 10.296 1.00 0.00 N ATOM 660 CA THR A 48 2.285 9.190 11.015 1.00 0.00 C ATOM 661 C THR A 48 2.547 9.070 12.518 1.00 0.00 C ATOM 662 O THR A 48 1.739 8.500 13.249 1.00 0.00 O ATOM 663 CB THR A 48 0.799 9.148 10.652 1.00 0.00 C ATOM 664 OG1 THR A 48 0.740 9.743 9.359 1.00 0.00 O ATOM 665 CG2 THR A 48 -0.044 10.077 11.528 1.00 0.00 C ATOM 0 H THR A 48 3.664 8.428 9.633 1.00 0.00 H new ATOM 0 HA THR A 48 2.678 10.165 10.726 1.00 0.00 H new ATOM 0 HB THR A 48 0.431 8.126 10.747 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.189 9.755 9.046 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.090 10.009 11.229 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.055 9.781 12.572 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.302 11.104 11.408 1.00 0.00 H new ATOM 673 N ALA A 49 3.680 9.616 12.934 1.00 0.00 N ATOM 674 CA ALA A 49 4.059 9.577 14.336 1.00 0.00 C ATOM 675 C ALA A 49 2.881 10.046 15.191 1.00 0.00 C ATOM 676 O ALA A 49 1.843 10.441 14.662 1.00 0.00 O ATOM 677 CB ALA A 49 5.311 10.430 14.550 1.00 0.00 C ATOM 0 H ALA A 49 4.348 10.088 12.325 1.00 0.00 H new ATOM 0 HA ALA A 49 4.302 8.559 14.640 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.596 10.401 15.602 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.127 10.038 13.942 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.104 11.460 14.258 1.00 0.00 H new ATOM 683 N ALA A 50 3.081 9.986 16.500 1.00 0.00 N ATOM 684 CA ALA A 50 2.048 10.399 17.434 1.00 0.00 C ATOM 685 C ALA A 50 2.130 11.913 17.642 1.00 0.00 C ATOM 686 O ALA A 50 2.151 12.388 18.776 1.00 0.00 O ATOM 687 CB ALA A 50 2.202 9.623 18.743 1.00 0.00 C ATOM 0 H ALA A 50 3.943 9.658 16.935 1.00 0.00 H new ATOM 0 HA ALA A 50 1.059 10.173 17.035 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.427 9.933 19.443 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.107 8.555 18.546 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.182 9.827 19.174 1.00 0.00 H new ATOM 693 N VAL A 51 2.173 12.629 16.528 1.00 0.00 N ATOM 694 CA VAL A 51 2.252 14.079 16.573 1.00 0.00 C ATOM 695 C VAL A 51 3.315 14.496 17.591 1.00 0.00 C ATOM 696 O VAL A 51 3.047 15.305 18.479 1.00 0.00 O ATOM 697 CB VAL A 51 0.873 14.670 16.873 1.00 0.00 C ATOM 698 CG1 VAL A 51 0.359 14.198 18.235 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.902 16.198 16.798 1.00 0.00 C ATOM 0 H VAL A 51 2.155 12.232 15.589 1.00 0.00 H new ATOM 0 HA VAL A 51 2.556 14.475 15.604 1.00 0.00 H new ATOM 0 HB VAL A 51 0.182 14.311 16.110 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.623 14.632 18.424 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.281 13.111 18.238 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.052 14.514 19.015 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.091 16.592 17.015 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.614 16.585 17.528 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.204 16.508 15.797 1.00 0.00 H new ATOM 709 N GLU A 52 4.500 13.926 17.429 1.00 0.00 N ATOM 710 CA GLU A 52 5.605 14.228 18.323 1.00 0.00 C ATOM 711 C GLU A 52 6.660 15.066 17.598 1.00 0.00 C ATOM 712 O GLU A 52 6.756 15.024 16.372 1.00 0.00 O ATOM 713 CB GLU A 52 6.217 12.946 18.890 1.00 0.00 C ATOM 714 CG GLU A 52 7.166 13.258 20.049 1.00 0.00 C ATOM 715 CD GLU A 52 7.875 11.992 20.534 1.00 0.00 C ATOM 716 OE1 GLU A 52 7.230 10.945 20.698 1.00 0.00 O ATOM 717 OE2 GLU A 52 9.141 12.121 20.742 1.00 0.00 O ATOM 0 H GLU A 52 4.719 13.256 16.692 1.00 0.00 H new ATOM 0 HA GLU A 52 5.221 14.809 19.161 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.424 12.281 19.233 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.758 12.418 18.104 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.905 13.993 19.731 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.607 13.704 20.872 1.00 0.00 H new ATOM 725 N GLY A 53 7.425 15.806 18.386 1.00 0.00 N ATOM 726 CA GLY A 53 8.470 16.652 17.835 1.00 0.00 C ATOM 727 C GLY A 53 9.493 15.823 17.056 1.00 0.00 C ATOM 728 O GLY A 53 9.451 15.774 15.827 1.00 0.00 O ATOM 0 H GLY A 53 7.342 15.838 19.402 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.028 17.401 17.178 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.970 17.190 18.641 1.00 0.00 H new ATOM 732 N THR A 54 10.387 15.191 17.802 1.00 0.00 N ATOM 733 CA THR A 54 11.419 14.367 17.197 1.00 0.00 C ATOM 734 C THR A 54 11.994 15.056 15.958 1.00 0.00 C ATOM 735 O THR A 54 11.486 14.879 14.852 1.00 0.00 O ATOM 736 CB THR A 54 10.813 12.993 16.901 1.00 0.00 C ATOM 737 OG1 THR A 54 10.595 12.425 18.189 1.00 0.00 O ATOM 738 CG2 THR A 54 11.813 12.043 16.239 1.00 0.00 C ATOM 0 H THR A 54 10.418 15.233 18.821 1.00 0.00 H new ATOM 0 HA THR A 54 12.262 14.229 17.874 1.00 0.00 H new ATOM 0 HB THR A 54 9.943 13.111 16.256 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.811 12.843 18.602 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.333 11.083 16.050 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.151 12.471 15.295 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.668 11.897 16.899 1.00 0.00 H new ATOM 746 N GLY A 55 13.047 15.828 16.185 1.00 0.00 N ATOM 747 CA GLY A 55 13.697 16.545 15.101 1.00 0.00 C ATOM 748 C GLY A 55 14.114 15.588 13.983 1.00 0.00 C ATOM 749 O GLY A 55 14.132 14.373 14.175 1.00 0.00 O ATOM 0 H GLY A 55 13.466 15.973 17.104 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.020 17.301 14.703 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.574 17.070 15.481 1.00 0.00 H new ATOM 753 N GLY A 56 14.438 16.172 12.838 1.00 0.00 N ATOM 754 CA GLY A 56 14.853 15.386 11.689 1.00 0.00 C ATOM 755 C GLY A 56 16.290 14.888 11.855 1.00 0.00 C ATOM 756 O GLY A 56 17.209 15.684 12.044 1.00 0.00 O ATOM 0 H GLY A 56 14.421 17.180 12.682 1.00 0.00 H new ATOM 0 HA2 GLY A 56 14.182 14.536 11.564 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.776 15.989 10.784 1.00 0.00 H new ATOM 760 N SER A 57 16.440 13.574 11.780 1.00 0.00 N ATOM 761 CA SER A 57 17.749 12.960 11.920 1.00 0.00 C ATOM 762 C SER A 57 17.872 11.767 10.970 1.00 0.00 C ATOM 763 O SER A 57 16.876 11.302 10.420 1.00 0.00 O ATOM 764 CB SER A 57 17.999 12.518 13.363 1.00 0.00 C ATOM 765 OG SER A 57 17.906 13.606 14.278 1.00 0.00 O ATOM 0 H SER A 57 15.676 12.917 11.624 1.00 0.00 H new ATOM 0 HA SER A 57 18.504 13.702 11.660 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.275 11.750 13.638 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.988 12.065 13.437 1.00 0.00 H new ATOM 0 HG SER A 57 18.070 13.283 15.188 1.00 0.00 H new ATOM 771 N GLY A 58 19.104 11.306 10.807 1.00 0.00 N ATOM 772 CA GLY A 58 19.370 10.176 9.934 1.00 0.00 C ATOM 773 C GLY A 58 19.391 8.865 10.723 1.00 0.00 C ATOM 774 O GLY A 58 18.452 8.565 11.459 1.00 0.00 O ATOM 0 H GLY A 58 19.928 11.695 11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 58 18.607 10.125 9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 58 20.327 10.317 9.432 1.00 0.00 H new ATOM 778 N GLY A 59 20.472 8.120 10.543 1.00 0.00 N ATOM 779 CA GLY A 59 20.627 6.849 11.230 1.00 0.00 C ATOM 780 C GLY A 59 19.500 5.883 10.857 1.00 0.00 C ATOM 781 O GLY A 59 18.544 6.269 10.187 1.00 0.00 O ATOM 0 H GLY A 59 21.249 8.372 9.932 1.00 0.00 H new ATOM 0 HA2 GLY A 59 21.590 6.407 10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 59 20.629 7.012 12.308 1.00 0.00 H new ATOM 785 N GLY A 60 19.651 4.647 11.309 1.00 0.00 N ATOM 786 CA GLY A 60 18.658 3.623 11.031 1.00 0.00 C ATOM 787 C GLY A 60 19.183 2.235 11.404 1.00 0.00 C ATOM 788 O GLY A 60 18.867 1.714 12.473 1.00 0.00 O ATOM 0 H GLY A 60 20.445 4.331 11.866 1.00 0.00 H new ATOM 0 HA2 GLY A 60 17.747 3.834 11.591 1.00 0.00 H new ATOM 0 HA3 GLY A 60 18.395 3.644 9.973 1.00 0.00 H new ATOM 792 N PRO A 61 19.996 1.660 10.478 1.00 0.00 N ATOM 793 CA PRO A 61 20.568 0.343 10.698 1.00 0.00 C ATOM 794 C PRO A 61 21.710 0.404 11.714 1.00 0.00 C ATOM 795 O PRO A 61 22.142 1.487 12.104 1.00 0.00 O ATOM 796 CB PRO A 61 21.019 -0.125 9.324 1.00 0.00 C ATOM 797 CG PRO A 61 21.109 1.127 8.466 1.00 0.00 C ATOM 798 CD PRO A 61 20.392 2.248 9.201 1.00 0.00 C ATOM 0 HA PRO A 61 19.854 -0.359 11.128 1.00 0.00 H new ATOM 0 HB2 PRO A 61 21.983 -0.630 9.380 1.00 0.00 H new ATOM 0 HB3 PRO A 61 20.310 -0.838 8.902 1.00 0.00 H new ATOM 0 HG2 PRO A 61 22.151 1.393 8.287 1.00 0.00 H new ATOM 0 HG3 PRO A 61 20.652 0.956 7.492 1.00 0.00 H new ATOM 0 HD2 PRO A 61 21.046 3.108 9.347 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.525 2.598 8.640 1.00 0.00 H new ATOM 806 N HIS A 62 22.167 -0.774 12.114 1.00 0.00 N ATOM 807 CA HIS A 62 23.251 -0.868 13.077 1.00 0.00 C ATOM 808 C HIS A 62 24.449 -1.570 12.434 1.00 0.00 C ATOM 809 O HIS A 62 24.362 -2.043 11.302 1.00 0.00 O ATOM 810 CB HIS A 62 22.780 -1.556 14.360 1.00 0.00 C ATOM 811 CG HIS A 62 21.611 -0.873 15.028 1.00 0.00 C ATOM 812 ND1 HIS A 62 20.375 -0.550 14.551 1.00 0.00 N flip ATOM 813 CD2 HIS A 62 21.646 -0.444 16.344 1.00 0.00 C flip ATOM 814 CE1 HIS A 62 19.692 0.044 15.521 1.00 0.00 C flip ATOM 815 NE2 HIS A 62 20.478 0.111 16.634 1.00 0.00 N flip ATOM 0 H HIS A 62 21.806 -1.671 11.789 1.00 0.00 H new ATOM 0 HA HIS A 62 23.572 0.132 13.367 1.00 0.00 H new ATOM 0 HB2 HIS A 62 22.503 -2.584 14.128 1.00 0.00 H new ATOM 0 HB3 HIS A 62 23.612 -1.601 15.063 1.00 0.00 H new ATOM 0 HD2 HIS A 62 22.483 -0.545 17.019 1.00 0.00 H new ATOM 0 HE1 HIS A 62 18.680 0.414 15.442 1.00 0.00 H new ATOM 0 HE2 HIS A 62 20.213 0.517 17.532 1.00 0.00 H new ATOM 823 N HIS A 63 25.541 -1.614 13.184 1.00 0.00 N ATOM 824 CA HIS A 63 26.755 -2.250 12.702 1.00 0.00 C ATOM 825 C HIS A 63 26.397 -3.526 11.938 1.00 0.00 C ATOM 826 O HIS A 63 26.668 -3.635 10.742 1.00 0.00 O ATOM 827 CB HIS A 63 27.730 -2.502 13.853 1.00 0.00 C ATOM 828 CG HIS A 63 29.182 -2.518 13.436 1.00 0.00 C ATOM 829 ND1 HIS A 63 29.970 -3.653 13.508 1.00 0.00 N ATOM 830 CD2 HIS A 63 29.978 -1.526 12.941 1.00 0.00 C ATOM 831 CE1 HIS A 63 31.184 -3.347 13.075 1.00 0.00 C ATOM 832 NE2 HIS A 63 31.187 -2.029 12.725 1.00 0.00 N ATOM 0 H HIS A 63 25.610 -1.219 14.122 1.00 0.00 H new ATOM 0 HA HIS A 63 27.268 -1.584 12.008 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.589 -1.731 14.611 1.00 0.00 H new ATOM 0 HB3 HIS A 63 27.486 -3.456 14.320 1.00 0.00 H new ATOM 0 HD2 HIS A 63 29.676 -0.506 12.757 1.00 0.00 H new ATOM 0 HE1 HIS A 63 32.024 -4.023 13.011 1.00 0.00 H new ATOM 0 HE2 HIS A 63 31.987 -1.514 12.357 1.00 0.00 H new ATOM 840 N HIS A 64 25.794 -4.460 12.659 1.00 0.00 N ATOM 841 CA HIS A 64 25.397 -5.724 12.063 1.00 0.00 C ATOM 842 C HIS A 64 26.632 -6.450 11.526 1.00 0.00 C ATOM 843 O HIS A 64 27.729 -5.892 11.517 1.00 0.00 O ATOM 844 CB HIS A 64 24.324 -5.508 10.994 1.00 0.00 C ATOM 845 CG HIS A 64 23.127 -6.418 11.132 1.00 0.00 C ATOM 846 ND1 HIS A 64 22.289 -6.720 10.073 1.00 0.00 N ATOM 847 CD2 HIS A 64 22.638 -7.090 12.214 1.00 0.00 C ATOM 848 CE1 HIS A 64 21.340 -7.536 10.510 1.00 0.00 C ATOM 849 NE2 HIS A 64 21.558 -7.763 11.837 1.00 0.00 N ATOM 0 H HIS A 64 25.571 -4.367 13.650 1.00 0.00 H new ATOM 0 HA HIS A 64 24.946 -6.362 12.823 1.00 0.00 H new ATOM 0 HB2 HIS A 64 23.987 -4.472 11.036 1.00 0.00 H new ATOM 0 HB3 HIS A 64 24.770 -5.658 10.011 1.00 0.00 H new ATOM 0 HD2 HIS A 64 23.058 -7.077 13.209 1.00 0.00 H new ATOM 0 HE1 HIS A 64 20.536 -7.949 9.919 1.00 0.00 H new ATOM 0 HE2 HIS A 64 20.985 -8.353 12.441 1.00 0.00 H new ATOM 857 N HIS A 65 26.413 -7.682 11.091 1.00 0.00 N ATOM 858 CA HIS A 65 27.495 -8.489 10.553 1.00 0.00 C ATOM 859 C HIS A 65 28.537 -8.743 11.644 1.00 0.00 C ATOM 860 O HIS A 65 28.763 -7.891 12.503 1.00 0.00 O ATOM 861 CB HIS A 65 28.091 -7.836 9.304 1.00 0.00 C ATOM 862 CG HIS A 65 27.745 -8.545 8.017 1.00 0.00 C ATOM 863 ND1 HIS A 65 28.673 -8.781 7.018 1.00 0.00 N ATOM 864 CD2 HIS A 65 26.564 -9.066 7.576 1.00 0.00 C ATOM 865 CE1 HIS A 65 28.067 -9.416 6.025 1.00 0.00 C ATOM 866 NE2 HIS A 65 26.760 -9.591 6.373 1.00 0.00 N ATOM 0 H HIS A 65 25.502 -8.141 11.100 1.00 0.00 H new ATOM 0 HA HIS A 65 27.108 -9.457 10.236 1.00 0.00 H new ATOM 0 HB2 HIS A 65 27.743 -6.805 9.244 1.00 0.00 H new ATOM 0 HB3 HIS A 65 29.176 -7.800 9.407 1.00 0.00 H new ATOM 0 HD2 HIS A 65 25.628 -9.053 8.115 1.00 0.00 H new ATOM 0 HE1 HIS A 65 28.527 -9.738 5.103 1.00 0.00 H new ATOM 0 HE2 HIS A 65 26.050 -10.050 5.802 1.00 0.00 H new ATOM 874 N GLN A 66 29.146 -9.918 11.575 1.00 0.00 N ATOM 875 CA GLN A 66 30.159 -10.294 12.546 1.00 0.00 C ATOM 876 C GLN A 66 31.371 -9.367 12.435 1.00 0.00 C ATOM 877 O GLN A 66 31.434 -8.527 11.539 1.00 0.00 O ATOM 878 CB GLN A 66 30.570 -11.758 12.369 1.00 0.00 C ATOM 879 CG GLN A 66 31.198 -12.309 13.651 1.00 0.00 C ATOM 880 CD GLN A 66 30.855 -13.788 13.837 1.00 0.00 C ATOM 881 OE1 GLN A 66 30.378 -14.460 12.937 1.00 0.00 O ATOM 882 NE2 GLN A 66 31.122 -14.257 15.053 1.00 0.00 N ATOM 0 H GLN A 66 28.957 -10.622 10.861 1.00 0.00 H new ATOM 0 HA GLN A 66 29.735 -10.187 13.545 1.00 0.00 H new ATOM 0 HB2 GLN A 66 29.698 -12.355 12.101 1.00 0.00 H new ATOM 0 HB3 GLN A 66 31.280 -11.843 11.546 1.00 0.00 H new ATOM 0 HG2 GLN A 66 32.280 -12.185 13.613 1.00 0.00 H new ATOM 0 HG3 GLN A 66 30.842 -11.739 14.509 1.00 0.00 H new ATOM 0 HE21 GLN A 66 31.521 -13.641 15.761 1.00 0.00 H new ATOM 0 HE22 GLN A 66 30.927 -15.233 15.277 1.00 0.00 H new ATOM 891 N THR A 67 32.302 -9.551 13.360 1.00 0.00 N ATOM 892 CA THR A 67 33.508 -8.741 13.377 1.00 0.00 C ATOM 893 C THR A 67 34.628 -9.468 14.124 1.00 0.00 C ATOM 894 O THR A 67 34.392 -10.497 14.756 1.00 0.00 O ATOM 895 CB THR A 67 33.156 -7.381 13.985 1.00 0.00 C ATOM 896 OG1 THR A 67 31.971 -6.990 13.297 1.00 0.00 O ATOM 897 CG2 THR A 67 34.173 -6.297 13.623 1.00 0.00 C ATOM 0 H THR A 67 32.245 -10.248 14.102 1.00 0.00 H new ATOM 0 HA THR A 67 33.887 -8.575 12.369 1.00 0.00 H new ATOM 0 HB THR A 67 33.095 -7.473 15.069 1.00 0.00 H new ATOM 0 HG1 THR A 67 32.067 -7.187 12.342 1.00 0.00 H new ATOM 0 HG21 THR A 67 33.876 -5.353 14.079 1.00 0.00 H new ATOM 0 HG22 THR A 67 35.158 -6.584 13.991 1.00 0.00 H new ATOM 0 HG23 THR A 67 34.211 -6.181 12.540 1.00 0.00 H new ATOM 905 N ARG A 68 35.824 -8.906 14.026 1.00 0.00 N ATOM 906 CA ARG A 68 36.981 -9.488 14.684 1.00 0.00 C ATOM 907 C ARG A 68 36.719 -9.638 16.184 1.00 0.00 C ATOM 908 O ARG A 68 36.131 -8.755 16.806 1.00 0.00 O ATOM 909 CB ARG A 68 38.227 -8.625 14.474 1.00 0.00 C ATOM 910 CG ARG A 68 39.356 -9.437 13.838 1.00 0.00 C ATOM 911 CD ARG A 68 40.330 -9.950 14.901 1.00 0.00 C ATOM 912 NE ARG A 68 41.687 -9.420 14.643 1.00 0.00 N ATOM 913 CZ ARG A 68 42.123 -8.216 15.071 1.00 0.00 C ATOM 914 NH1 ARG A 68 41.312 -7.407 15.784 1.00 0.00 N ATOM 915 NH2 ARG A 68 43.356 -7.843 14.783 1.00 0.00 N ATOM 0 H ARG A 68 36.017 -8.053 13.500 1.00 0.00 H new ATOM 0 HA ARG A 68 37.155 -10.469 14.242 1.00 0.00 H new ATOM 0 HB2 ARG A 68 37.982 -7.775 13.837 1.00 0.00 H new ATOM 0 HB3 ARG A 68 38.559 -8.221 15.430 1.00 0.00 H new ATOM 0 HG2 ARG A 68 38.937 -10.279 13.287 1.00 0.00 H new ATOM 0 HG3 ARG A 68 39.891 -8.819 13.117 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.994 -9.644 15.892 1.00 0.00 H new ATOM 0 HD3 ARG A 68 40.349 -11.040 14.893 1.00 0.00 H new ATOM 0 HE ARG A 68 42.333 -10.000 14.108 1.00 0.00 H new ATOM 0 HH11 ARG A 68 40.361 -7.703 16.004 1.00 0.00 H new ATOM 0 HH12 ARG A 68 41.650 -6.499 16.103 1.00 0.00 H new ATOM 0 HH21 ARG A 68 43.963 -8.461 14.245 1.00 0.00 H new ATOM 0 HH22 ARG A 68 43.701 -6.937 15.099 1.00 0.00 H new ATOM 928 N GLY A 69 37.169 -10.763 16.721 1.00 0.00 N ATOM 929 CA GLY A 69 36.991 -11.039 18.136 1.00 0.00 C ATOM 930 C GLY A 69 38.047 -12.025 18.639 1.00 0.00 C ATOM 931 O GLY A 69 37.795 -13.227 18.710 1.00 0.00 O ATOM 0 H GLY A 69 37.656 -11.493 16.202 1.00 0.00 H new ATOM 0 HA2 GLY A 69 37.056 -10.110 18.702 1.00 0.00 H new ATOM 0 HA3 GLY A 69 35.995 -11.448 18.308 1.00 0.00 H new ATOM 935 N ALA A 70 39.207 -11.481 18.976 1.00 0.00 N ATOM 936 CA ALA A 70 40.302 -12.298 19.471 1.00 0.00 C ATOM 937 C ALA A 70 40.215 -12.391 20.995 1.00 0.00 C ATOM 938 O ALA A 70 40.314 -11.381 21.690 1.00 0.00 O ATOM 939 CB ALA A 70 41.633 -11.708 18.998 1.00 0.00 C ATOM 0 H ALA A 70 39.413 -10.484 18.916 1.00 0.00 H new ATOM 0 HA ALA A 70 40.235 -13.311 19.075 1.00 0.00 H new ATOM 0 HB1 ALA A 70 42.455 -12.320 19.369 1.00 0.00 H new ATOM 0 HB2 ALA A 70 41.657 -11.691 17.908 1.00 0.00 H new ATOM 0 HB3 ALA A 70 41.737 -10.692 19.379 1.00 0.00 H new ATOM 945 N TYR A 71 40.030 -13.614 21.472 1.00 0.00 N ATOM 946 CA TYR A 71 39.928 -13.852 22.901 1.00 0.00 C ATOM 947 C TYR A 71 41.275 -13.627 23.592 1.00 0.00 C ATOM 948 O TYR A 71 42.297 -14.154 23.155 1.00 0.00 O ATOM 949 CB TYR A 71 39.529 -15.321 23.056 1.00 0.00 C ATOM 950 CG TYR A 71 38.746 -15.622 24.336 1.00 0.00 C ATOM 951 CD1 TYR A 71 37.592 -14.920 24.619 1.00 0.00 C ATOM 952 CD2 TYR A 71 39.193 -16.595 25.206 1.00 0.00 C ATOM 953 CE1 TYR A 71 36.854 -15.202 25.823 1.00 0.00 C ATOM 954 CE2 TYR A 71 38.456 -16.877 26.411 1.00 0.00 C ATOM 955 CZ TYR A 71 37.323 -16.167 26.660 1.00 0.00 C ATOM 956 OH TYR A 71 36.626 -16.434 27.797 1.00 0.00 O ATOM 0 H TYR A 71 39.948 -14.450 20.893 1.00 0.00 H new ATOM 0 HA TYR A 71 39.206 -13.172 23.353 1.00 0.00 H new ATOM 0 HB2 TYR A 71 38.927 -15.616 22.196 1.00 0.00 H new ATOM 0 HB3 TYR A 71 40.430 -15.935 23.040 1.00 0.00 H new ATOM 0 HD1 TYR A 71 37.242 -14.159 23.937 1.00 0.00 H new ATOM 0 HD2 TYR A 71 40.095 -17.145 24.984 1.00 0.00 H new ATOM 0 HE1 TYR A 71 35.949 -14.660 26.056 1.00 0.00 H new ATOM 0 HE2 TYR A 71 38.795 -17.635 27.101 1.00 0.00 H new ATOM 0 HH TYR A 71 37.077 -17.146 28.297 1.00 0.00 H new ATOM 966 N SER A 72 41.232 -12.842 24.659 1.00 0.00 N ATOM 967 CA SER A 72 42.436 -12.540 25.415 1.00 0.00 C ATOM 968 C SER A 72 42.685 -13.630 26.460 1.00 0.00 C ATOM 969 O SER A 72 41.880 -13.816 27.371 1.00 0.00 O ATOM 970 CB SER A 72 42.334 -11.171 26.089 1.00 0.00 C ATOM 971 OG SER A 72 43.551 -10.800 26.730 1.00 0.00 O ATOM 0 H SER A 72 40.382 -12.406 25.018 1.00 0.00 H new ATOM 0 HA SER A 72 43.277 -12.511 24.722 1.00 0.00 H new ATOM 0 HB2 SER A 72 42.072 -10.419 25.345 1.00 0.00 H new ATOM 0 HB3 SER A 72 41.528 -11.187 26.823 1.00 0.00 H new ATOM 0 HG SER A 72 43.446 -9.919 27.147 1.00 0.00 H new ATOM 977 N SER A 73 43.803 -14.321 26.293 1.00 0.00 N ATOM 978 CA SER A 73 44.168 -15.386 27.211 1.00 0.00 C ATOM 979 C SER A 73 45.670 -15.340 27.495 1.00 0.00 C ATOM 980 O SER A 73 46.443 -16.084 26.892 1.00 0.00 O ATOM 981 CB SER A 73 43.776 -16.755 26.650 1.00 0.00 C ATOM 982 OG SER A 73 42.485 -17.163 27.094 1.00 0.00 O ATOM 0 H SER A 73 44.468 -14.164 25.536 1.00 0.00 H new ATOM 0 HA SER A 73 43.623 -15.235 28.143 1.00 0.00 H new ATOM 0 HB2 SER A 73 43.790 -16.718 25.561 1.00 0.00 H new ATOM 0 HB3 SER A 73 44.515 -17.497 26.953 1.00 0.00 H new ATOM 0 HG SER A 73 42.270 -18.040 26.713 1.00 0.00 H new ATOM 988 N HIS A 74 46.039 -14.460 28.414 1.00 0.00 N ATOM 989 CA HIS A 74 47.436 -14.307 28.786 1.00 0.00 C ATOM 990 C HIS A 74 47.764 -15.249 29.946 1.00 0.00 C ATOM 991 O HIS A 74 46.904 -15.543 30.775 1.00 0.00 O ATOM 992 CB HIS A 74 47.758 -12.845 29.100 1.00 0.00 C ATOM 993 CG HIS A 74 46.856 -12.228 30.143 1.00 0.00 C ATOM 994 ND1 HIS A 74 45.574 -11.790 29.861 1.00 0.00 N ATOM 995 CD2 HIS A 74 47.064 -11.982 31.468 1.00 0.00 C ATOM 996 CE1 HIS A 74 45.044 -11.303 30.974 1.00 0.00 C ATOM 997 NE2 HIS A 74 45.969 -11.423 31.968 1.00 0.00 N ATOM 0 H HIS A 74 45.395 -13.845 28.912 1.00 0.00 H new ATOM 0 HA HIS A 74 48.072 -14.586 27.946 1.00 0.00 H new ATOM 0 HB2 HIS A 74 48.791 -12.776 29.441 1.00 0.00 H new ATOM 0 HB3 HIS A 74 47.686 -12.262 28.182 1.00 0.00 H new ATOM 0 HD2 HIS A 74 47.967 -12.204 32.017 1.00 0.00 H new ATOM 0 HE1 HIS A 74 44.053 -10.885 31.075 1.00 0.00 H new ATOM 0 HE2 HIS A 74 45.841 -11.131 32.937 1.00 0.00 H new ATOM 1005 N ASP A 75 49.011 -15.697 29.968 1.00 0.00 N ATOM 1006 CA ASP A 75 49.463 -16.600 31.012 1.00 0.00 C ATOM 1007 C ASP A 75 50.958 -16.873 30.832 1.00 0.00 C ATOM 1008 O ASP A 75 51.635 -17.286 31.773 1.00 0.00 O ATOM 1009 CB ASP A 75 48.727 -17.939 30.941 1.00 0.00 C ATOM 1010 CG ASP A 75 48.609 -18.538 29.538 1.00 0.00 C ATOM 1011 OD1 ASP A 75 47.765 -18.118 28.733 1.00 0.00 O ATOM 1012 OD2 ASP A 75 49.442 -19.489 29.280 1.00 0.00 O ATOM 0 H ASP A 75 49.722 -15.451 29.279 1.00 0.00 H new ATOM 0 HA ASP A 75 49.262 -16.129 31.974 1.00 0.00 H new ATOM 0 HB2 ASP A 75 49.242 -18.654 31.583 1.00 0.00 H new ATOM 0 HB3 ASP A 75 47.725 -17.808 31.349 1.00 0.00 H new TER 1018 ASP A 75