USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 LYS NZ :NH3+ 165:sc= 1.14 (180deg=0.0152) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0.776 USER MOD Single : A 1 SER N :NH3+ 149:sc= 0.0101 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00456 USER MOD Single : A 2 HIS : no HD1:sc= -0.656 X(o=-0.66,f=-0.34) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.691 USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= -0.0971 (180deg=-0.789) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 23 ASN : amide:sc= 0.847 K(o=0.85,f=-0.063) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.318 K(o=-0.32,f=-3.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -152:sc= -0.381 (180deg=-2.04!) USER MOD Single : A 47 SER OG : rot -102:sc= 0.115 USER MOD Single : A 48 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.63) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc=-0.00544 (180deg=-0.0426) USER MOD Single : A 52 SER OG : rot -48:sc= 0.179 USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= -1.02 (180deg=-2.8!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -128:sc= -0.0292 (180deg=-0.401) USER MOD Single : A 62 SER OG : rot 180:sc= -1.49! USER MOD Single : A 68 LYS NZ :NH3+ -157:sc= -0.326 (180deg=-1.8!) USER MOD Single : A 69 ASN : amide:sc= -7.47! C(o=-7.5!,f=-14!) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0.996 (180deg=0.578) USER MOD Single : A 74 GLN : amide:sc= -0.437! C(o=-0.44!,f=-6.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0755 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -47:sc= -3.52! USER MOD Single : A 88 THR OG1 : rot -48:sc= 0.533 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0659 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 82.779 30.381 3.573 1.00 0.00 N ATOM 2 CA SER A 1 83.412 29.764 4.774 1.00 0.00 C ATOM 3 C SER A 1 82.967 30.499 6.042 1.00 0.00 C ATOM 4 O SER A 1 83.717 31.253 6.630 1.00 0.00 O ATOM 5 CB SER A 1 84.916 29.929 4.559 1.00 0.00 C ATOM 6 OG SER A 1 85.320 29.134 3.452 1.00 0.00 O ATOM 0 H1 SER A 1 83.415 30.282 2.756 1.00 0.00 H new ATOM 0 H2 SER A 1 81.878 29.902 3.371 1.00 0.00 H new ATOM 0 H3 SER A 1 82.602 31.390 3.754 1.00 0.00 H new ATOM 0 HA SER A 1 83.131 28.718 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 1 85.157 30.976 4.377 1.00 0.00 H new ATOM 0 HB3 SER A 1 85.459 29.628 5.455 1.00 0.00 H new ATOM 0 HG SER A 1 86.284 29.238 3.309 1.00 0.00 H new ATOM 14 N HIS A 2 81.752 30.285 6.468 1.00 0.00 N ATOM 15 CA HIS A 2 81.261 30.970 7.697 1.00 0.00 C ATOM 16 C HIS A 2 81.308 30.013 8.891 1.00 0.00 C ATOM 17 O HIS A 2 80.787 30.300 9.951 1.00 0.00 O ATOM 18 CB HIS A 2 79.818 31.363 7.381 1.00 0.00 C ATOM 19 CG HIS A 2 79.666 32.855 7.496 1.00 0.00 C ATOM 20 ND1 HIS A 2 78.431 33.479 7.426 1.00 0.00 N ATOM 21 CD2 HIS A 2 80.585 33.858 7.675 1.00 0.00 C ATOM 22 CE1 HIS A 2 78.638 34.802 7.563 1.00 0.00 C ATOM 23 NE2 HIS A 2 79.933 35.087 7.717 1.00 0.00 N ATOM 0 H HIS A 2 81.078 29.665 6.018 1.00 0.00 H new ATOM 0 HA HIS A 2 81.871 31.834 7.960 1.00 0.00 H new ATOM 0 HB2 HIS A 2 79.553 31.037 6.375 1.00 0.00 H new ATOM 0 HB3 HIS A 2 79.135 30.863 8.068 1.00 0.00 H new ATOM 0 HD2 HIS A 2 81.651 33.716 7.769 1.00 0.00 H new ATOM 0 HE1 HIS A 2 77.852 35.543 7.550 1.00 0.00 H new ATOM 0 HE2 HIS A 2 80.354 36.008 7.839 1.00 0.00 H new ATOM 31 N MET A 3 81.929 28.877 8.728 1.00 0.00 N ATOM 32 CA MET A 3 82.008 27.903 9.854 1.00 0.00 C ATOM 33 C MET A 3 83.416 27.904 10.457 1.00 0.00 C ATOM 34 O MET A 3 84.345 28.441 9.887 1.00 0.00 O ATOM 35 CB MET A 3 81.695 26.545 9.226 1.00 0.00 C ATOM 36 CG MET A 3 80.589 25.854 10.025 1.00 0.00 C ATOM 37 SD MET A 3 79.417 25.075 8.886 1.00 0.00 S ATOM 38 CE MET A 3 78.218 24.537 10.130 1.00 0.00 C ATOM 0 H MET A 3 82.385 28.581 7.865 1.00 0.00 H new ATOM 0 HA MET A 3 81.317 28.148 10.661 1.00 0.00 H new ATOM 0 HB2 MET A 3 81.382 26.675 8.190 1.00 0.00 H new ATOM 0 HB3 MET A 3 82.591 25.924 9.213 1.00 0.00 H new ATOM 0 HG2 MET A 3 81.020 25.105 10.689 1.00 0.00 H new ATOM 0 HG3 MET A 3 80.073 26.579 10.654 1.00 0.00 H new ATOM 0 HE1 MET A 3 77.392 24.022 9.640 1.00 0.00 H new ATOM 0 HE2 MET A 3 78.702 23.860 10.833 1.00 0.00 H new ATOM 0 HE3 MET A 3 77.836 25.405 10.667 1.00 0.00 H new ATOM 48 N LEU A 4 83.579 27.306 11.605 1.00 0.00 N ATOM 49 CA LEU A 4 84.927 27.273 12.243 1.00 0.00 C ATOM 50 C LEU A 4 85.791 26.186 11.597 1.00 0.00 C ATOM 51 O LEU A 4 85.513 25.724 10.509 1.00 0.00 O ATOM 52 CB LEU A 4 84.661 26.944 13.712 1.00 0.00 C ATOM 53 CG LEU A 4 84.758 28.220 14.549 1.00 0.00 C ATOM 54 CD1 LEU A 4 83.443 28.997 14.450 1.00 0.00 C ATOM 55 CD2 LEU A 4 85.024 27.853 16.009 1.00 0.00 C ATOM 0 H LEU A 4 82.839 26.839 12.129 1.00 0.00 H new ATOM 0 HA LEU A 4 85.463 28.215 12.127 1.00 0.00 H new ATOM 0 HB2 LEU A 4 83.672 26.499 13.822 1.00 0.00 H new ATOM 0 HB3 LEU A 4 85.383 26.208 14.067 1.00 0.00 H new ATOM 0 HG LEU A 4 85.574 28.838 14.175 1.00 0.00 H new ATOM 0 HD11 LEU A 4 83.512 29.907 15.047 1.00 0.00 H new ATOM 0 HD12 LEU A 4 83.253 29.259 13.409 1.00 0.00 H new ATOM 0 HD13 LEU A 4 82.626 28.379 14.824 1.00 0.00 H new ATOM 0 HD21 LEU A 4 85.093 28.762 16.606 1.00 0.00 H new ATOM 0 HD22 LEU A 4 84.208 27.235 16.383 1.00 0.00 H new ATOM 0 HD23 LEU A 4 85.961 27.300 16.080 1.00 0.00 H new ATOM 67 N GLU A 5 86.836 25.773 12.261 1.00 0.00 N ATOM 68 CA GLU A 5 87.715 24.716 11.684 1.00 0.00 C ATOM 69 C GLU A 5 87.291 23.339 12.199 1.00 0.00 C ATOM 70 O GLU A 5 88.112 22.490 12.484 1.00 0.00 O ATOM 71 CB GLU A 5 89.122 25.061 12.171 1.00 0.00 C ATOM 72 CG GLU A 5 89.117 25.197 13.695 1.00 0.00 C ATOM 73 CD GLU A 5 90.537 24.999 14.231 1.00 0.00 C ATOM 74 OE1 GLU A 5 91.367 25.858 13.984 1.00 0.00 O ATOM 75 OE2 GLU A 5 90.770 23.991 14.877 1.00 0.00 O ATOM 0 H GLU A 5 87.119 26.121 13.177 1.00 0.00 H new ATOM 0 HA GLU A 5 87.659 24.680 10.596 1.00 0.00 H new ATOM 0 HB2 GLU A 5 89.824 24.284 11.867 1.00 0.00 H new ATOM 0 HB3 GLU A 5 89.458 25.991 11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 5 88.743 26.180 13.982 1.00 0.00 H new ATOM 0 HG3 GLU A 5 88.445 24.460 14.134 1.00 0.00 H new ATOM 82 N ASP A 6 86.011 23.110 12.322 1.00 0.00 N ATOM 83 CA ASP A 6 85.533 21.787 12.820 1.00 0.00 C ATOM 84 C ASP A 6 86.290 20.654 12.123 1.00 0.00 C ATOM 85 O ASP A 6 86.581 20.732 10.945 1.00 0.00 O ATOM 86 CB ASP A 6 84.048 21.742 12.459 1.00 0.00 C ATOM 87 CG ASP A 6 83.213 22.109 13.688 1.00 0.00 C ATOM 88 OD1 ASP A 6 82.956 21.226 14.490 1.00 0.00 O ATOM 89 OD2 ASP A 6 82.845 23.266 13.805 1.00 0.00 O ATOM 0 H ASP A 6 85.276 23.781 12.099 1.00 0.00 H new ATOM 0 HA ASP A 6 85.696 21.665 13.891 1.00 0.00 H new ATOM 0 HB2 ASP A 6 83.840 22.435 11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 6 83.778 20.746 12.107 1.00 0.00 H new ATOM 94 N PRO A 7 86.590 19.635 12.884 1.00 0.00 N ATOM 95 CA PRO A 7 87.328 18.470 12.346 1.00 0.00 C ATOM 96 C PRO A 7 86.377 17.489 11.651 1.00 0.00 C ATOM 97 O PRO A 7 86.662 16.313 11.534 1.00 0.00 O ATOM 98 CB PRO A 7 87.932 17.834 13.591 1.00 0.00 C ATOM 99 CG PRO A 7 87.044 18.247 14.728 1.00 0.00 C ATOM 100 CD PRO A 7 86.286 19.485 14.307 1.00 0.00 C ATOM 0 HA PRO A 7 88.071 18.748 11.598 1.00 0.00 H new ATOM 0 HB2 PRO A 7 87.970 16.749 13.498 1.00 0.00 H new ATOM 0 HB3 PRO A 7 88.955 18.176 13.749 1.00 0.00 H new ATOM 0 HG2 PRO A 7 86.351 17.444 14.981 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.637 18.449 15.620 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.215 19.370 14.474 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.606 20.358 14.875 1.00 0.00 H new ATOM 108 N CYS A 8 85.254 17.958 11.189 1.00 0.00 N ATOM 109 CA CYS A 8 84.290 17.049 10.504 1.00 0.00 C ATOM 110 C CYS A 8 84.576 17.016 8.999 1.00 0.00 C ATOM 111 O CYS A 8 83.742 16.622 8.207 1.00 0.00 O ATOM 112 CB CYS A 8 82.914 17.653 10.776 1.00 0.00 C ATOM 113 SG CYS A 8 81.851 16.411 11.554 1.00 0.00 S ATOM 0 H CYS A 8 84.959 18.932 11.255 1.00 0.00 H new ATOM 0 HA CYS A 8 84.361 16.023 10.864 1.00 0.00 H new ATOM 0 HB2 CYS A 8 83.009 18.523 11.425 1.00 0.00 H new ATOM 0 HB3 CYS A 8 82.466 17.998 9.844 1.00 0.00 H new ATOM 0 HG CYS A 8 80.681 16.926 11.787 1.00 0.00 H new ATOM 119 N THR A 9 85.747 17.431 8.601 1.00 0.00 N ATOM 120 CA THR A 9 86.089 17.429 7.155 1.00 0.00 C ATOM 121 C THR A 9 85.654 16.113 6.510 1.00 0.00 C ATOM 122 O THR A 9 85.410 16.042 5.322 1.00 0.00 O ATOM 123 CB THR A 9 87.611 17.573 7.110 1.00 0.00 C ATOM 124 OG1 THR A 9 87.973 18.884 7.523 1.00 0.00 O ATOM 125 CG2 THR A 9 88.106 17.330 5.684 1.00 0.00 C ATOM 0 H THR A 9 86.483 17.772 9.219 1.00 0.00 H new ATOM 0 HA THR A 9 85.587 18.228 6.610 1.00 0.00 H new ATOM 0 HB THR A 9 88.066 16.842 7.779 1.00 0.00 H new ATOM 0 HG1 THR A 9 88.948 18.978 7.497 1.00 0.00 H new ATOM 0 HG21 THR A 9 89.191 17.433 5.653 1.00 0.00 H new ATOM 0 HG22 THR A 9 87.828 16.324 5.369 1.00 0.00 H new ATOM 0 HG23 THR A 9 87.653 18.059 5.012 1.00 0.00 H new ATOM 133 N SER A 10 85.561 15.070 7.286 1.00 0.00 N ATOM 134 CA SER A 10 85.147 13.753 6.721 1.00 0.00 C ATOM 135 C SER A 10 83.620 13.635 6.699 1.00 0.00 C ATOM 136 O SER A 10 83.068 12.574 6.911 1.00 0.00 O ATOM 137 CB SER A 10 85.749 12.712 7.663 1.00 0.00 C ATOM 138 OG SER A 10 85.602 11.420 7.090 1.00 0.00 O ATOM 0 H SER A 10 85.754 15.071 8.288 1.00 0.00 H new ATOM 0 HA SER A 10 85.488 13.623 5.694 1.00 0.00 H new ATOM 0 HB2 SER A 10 86.803 12.928 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 10 85.252 12.751 8.632 1.00 0.00 H new ATOM 0 HG SER A 10 85.989 10.750 7.691 1.00 0.00 H new ATOM 144 N LYS A 11 82.931 14.713 6.441 1.00 0.00 N ATOM 145 CA LYS A 11 81.442 14.652 6.405 1.00 0.00 C ATOM 146 C LYS A 11 80.981 13.877 5.168 1.00 0.00 C ATOM 147 O LYS A 11 80.261 12.904 5.267 1.00 0.00 O ATOM 148 CB LYS A 11 80.982 16.108 6.332 1.00 0.00 C ATOM 149 CG LYS A 11 80.393 16.525 7.683 1.00 0.00 C ATOM 150 CD LYS A 11 79.439 17.705 7.482 1.00 0.00 C ATOM 151 CE LYS A 11 78.356 17.675 8.563 1.00 0.00 C ATOM 152 NZ LYS A 11 77.469 16.540 8.186 1.00 0.00 N ATOM 0 H LYS A 11 83.334 15.631 6.254 1.00 0.00 H new ATOM 0 HA LYS A 11 81.027 14.143 7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 11 81.822 16.753 6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 11 80.236 16.226 5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 11 79.862 15.687 8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.192 16.803 8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 11 79.990 18.644 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 11 78.983 17.653 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 11 78.789 17.526 9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 11 77.804 18.614 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 76.485 16.771 8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 77.539 16.370 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 77.762 15.685 8.700 1.00 0.00 H new ATOM 166 N LYS A 12 81.399 14.295 4.005 1.00 0.00 N ATOM 167 CA LYS A 12 80.990 13.569 2.768 1.00 0.00 C ATOM 168 C LYS A 12 81.920 12.378 2.537 1.00 0.00 C ATOM 169 O LYS A 12 81.890 11.741 1.503 1.00 0.00 O ATOM 170 CB LYS A 12 81.126 14.590 1.638 1.00 0.00 C ATOM 171 CG LYS A 12 82.600 14.959 1.457 1.00 0.00 C ATOM 172 CD LYS A 12 83.215 14.084 0.363 1.00 0.00 C ATOM 173 CE LYS A 12 83.367 14.902 -0.921 1.00 0.00 C ATOM 174 NZ LYS A 12 83.151 13.926 -2.026 1.00 0.00 N ATOM 0 H LYS A 12 82.003 15.104 3.857 1.00 0.00 H new ATOM 0 HA LYS A 12 79.975 13.177 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 12 80.727 14.178 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 12 80.543 15.482 1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 12 82.692 16.012 1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 12 83.138 14.820 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 12 84.187 13.710 0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 12 82.583 13.215 0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 12 82.639 15.712 -0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 12 84.355 15.358 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 83.239 14.412 -2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 83.863 13.170 -1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 82.200 13.513 -1.944 1.00 0.00 H new ATOM 188 N VAL A 13 82.738 12.069 3.502 1.00 0.00 N ATOM 189 CA VAL A 13 83.667 10.915 3.359 1.00 0.00 C ATOM 190 C VAL A 13 83.057 9.684 4.029 1.00 0.00 C ATOM 191 O VAL A 13 83.310 8.561 3.640 1.00 0.00 O ATOM 192 CB VAL A 13 84.947 11.346 4.077 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.806 10.116 4.379 1.00 0.00 C ATOM 194 CG2 VAL A 13 85.732 12.307 3.182 1.00 0.00 C ATOM 0 H VAL A 13 82.804 12.569 4.389 1.00 0.00 H new ATOM 0 HA VAL A 13 83.860 10.654 2.318 1.00 0.00 H new ATOM 0 HB VAL A 13 84.688 11.845 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 13 86.717 10.425 4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.248 9.430 5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 13 86.066 9.616 3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 13 86.645 12.615 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 13 85.989 11.807 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 13 85.122 13.184 2.967 1.00 0.00 H new ATOM 204 N ARG A 14 82.247 9.889 5.031 1.00 0.00 N ATOM 205 CA ARG A 14 81.610 8.734 5.721 1.00 0.00 C ATOM 206 C ARG A 14 80.481 8.170 4.855 1.00 0.00 C ATOM 207 O ARG A 14 80.244 6.979 4.822 1.00 0.00 O ATOM 208 CB ARG A 14 81.053 9.306 7.025 1.00 0.00 C ATOM 209 CG ARG A 14 82.039 9.040 8.164 1.00 0.00 C ATOM 210 CD ARG A 14 81.753 10.000 9.321 1.00 0.00 C ATOM 211 NE ARG A 14 82.995 9.993 10.142 1.00 0.00 N ATOM 212 CZ ARG A 14 83.204 10.939 11.017 1.00 0.00 C ATOM 213 NH1 ARG A 14 82.210 11.405 11.723 1.00 0.00 N ATOM 214 NH2 ARG A 14 84.405 11.419 11.185 1.00 0.00 N ATOM 0 H ARG A 14 81.999 10.807 5.401 1.00 0.00 H new ATOM 0 HA ARG A 14 82.312 7.920 5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.883 10.378 6.921 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.089 8.851 7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 14 81.950 8.008 8.503 1.00 0.00 H new ATOM 0 HG3 ARG A 14 83.062 9.172 7.812 1.00 0.00 H new ATOM 0 HD2 ARG A 14 81.527 11.002 8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 14 80.893 9.671 9.904 1.00 0.00 H new ATOM 0 HE ARG A 14 83.682 9.249 10.021 1.00 0.00 H new ATOM 0 HH11 ARG A 14 81.271 11.030 11.591 1.00 0.00 H new ATOM 0 HH12 ARG A 14 82.373 12.144 12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 14 85.181 11.055 10.633 1.00 0.00 H new ATOM 0 HH22 ARG A 14 84.568 12.158 11.869 1.00 0.00 H new ATOM 228 N ALA A 15 79.781 9.021 4.154 1.00 0.00 N ATOM 229 CA ALA A 15 78.671 8.539 3.290 1.00 0.00 C ATOM 230 C ALA A 15 79.228 7.844 2.047 1.00 0.00 C ATOM 231 O ALA A 15 78.492 7.325 1.233 1.00 0.00 O ATOM 232 CB ALA A 15 77.897 9.798 2.899 1.00 0.00 C ATOM 0 H ALA A 15 79.932 10.030 4.144 1.00 0.00 H new ATOM 0 HA ALA A 15 78.038 7.813 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.058 9.525 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 15 77.523 10.289 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.557 10.479 2.362 1.00 0.00 H new ATOM 238 N ALA A 16 80.524 7.830 1.891 1.00 0.00 N ATOM 239 CA ALA A 16 81.118 7.167 0.695 1.00 0.00 C ATOM 240 C ALA A 16 81.341 5.679 0.968 1.00 0.00 C ATOM 241 O ALA A 16 81.448 4.882 0.059 1.00 0.00 O ATOM 242 CB ALA A 16 82.451 7.878 0.466 1.00 0.00 C ATOM 0 H ALA A 16 81.195 8.247 2.537 1.00 0.00 H new ATOM 0 HA ALA A 16 80.467 7.233 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.950 7.445 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.272 8.939 0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 16 83.083 7.759 1.346 1.00 0.00 H new ATOM 248 N ARG A 17 81.409 5.298 2.212 1.00 0.00 N ATOM 249 CA ARG A 17 81.623 3.859 2.534 1.00 0.00 C ATOM 250 C ARG A 17 80.288 3.195 2.880 1.00 0.00 C ATOM 251 O ARG A 17 80.243 2.182 3.549 1.00 0.00 O ATOM 252 CB ARG A 17 82.555 3.857 3.746 1.00 0.00 C ATOM 253 CG ARG A 17 81.787 4.328 4.983 1.00 0.00 C ATOM 254 CD ARG A 17 82.475 5.562 5.571 1.00 0.00 C ATOM 255 NE ARG A 17 83.436 5.025 6.575 1.00 0.00 N ATOM 256 CZ ARG A 17 84.603 4.585 6.191 1.00 0.00 C ATOM 257 NH1 ARG A 17 84.729 3.360 5.758 1.00 0.00 N ATOM 258 NH2 ARG A 17 85.645 5.370 6.240 1.00 0.00 N ATOM 0 H ARG A 17 81.326 5.918 3.018 1.00 0.00 H new ATOM 0 HA ARG A 17 82.047 3.305 1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.952 2.855 3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.407 4.511 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.757 4.565 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.749 3.531 5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 17 82.989 6.133 4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 17 81.753 6.233 6.036 1.00 0.00 H new ATOM 0 HE ARG A 17 83.182 5.001 7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 17 83.915 2.746 5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 17 85.641 3.016 5.458 1.00 0.00 H new ATOM 0 HH21 ARG A 17 85.547 6.327 6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 17 86.557 5.026 5.940 1.00 0.00 H new ATOM 272 N THR A 18 79.198 3.760 2.434 1.00 0.00 N ATOM 273 CA THR A 18 77.870 3.155 2.744 1.00 0.00 C ATOM 274 C THR A 18 76.890 3.387 1.590 1.00 0.00 C ATOM 275 O THR A 18 76.863 4.441 0.989 1.00 0.00 O ATOM 276 CB THR A 18 77.393 3.877 4.005 1.00 0.00 C ATOM 277 OG1 THR A 18 78.426 3.853 4.980 1.00 0.00 O ATOM 278 CG2 THR A 18 76.151 3.177 4.557 1.00 0.00 C ATOM 0 H THR A 18 79.169 4.610 1.871 1.00 0.00 H new ATOM 0 HA THR A 18 77.935 2.076 2.887 1.00 0.00 H new ATOM 0 HB THR A 18 77.146 4.910 3.762 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.123 4.316 5.789 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.812 3.692 5.456 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.360 3.196 3.808 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.395 2.143 4.802 1.00 0.00 H new ATOM 286 N LEU A 19 76.083 2.409 1.282 1.00 0.00 N ATOM 287 CA LEU A 19 75.100 2.570 0.171 1.00 0.00 C ATOM 288 C LEU A 19 73.774 1.905 0.546 1.00 0.00 C ATOM 289 O LEU A 19 73.721 1.033 1.391 1.00 0.00 O ATOM 290 CB LEU A 19 75.735 1.869 -1.030 1.00 0.00 C ATOM 291 CG LEU A 19 75.897 0.382 -0.724 1.00 0.00 C ATOM 292 CD1 LEU A 19 74.638 -0.369 -1.158 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.106 -0.165 -1.487 1.00 0.00 C ATOM 0 H LEU A 19 76.061 1.504 1.752 1.00 0.00 H new ATOM 0 HA LEU A 19 74.883 3.617 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.112 2.004 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.705 2.313 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 19 76.049 0.245 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 19 74.754 -1.431 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 19 73.777 0.021 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 19 74.485 -0.234 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.223 -1.227 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 19 76.953 -0.028 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.004 0.370 -1.178 1.00 0.00 H new ATOM 305 N LEU A 20 72.700 2.317 -0.070 1.00 0.00 N ATOM 306 CA LEU A 20 71.373 1.714 0.258 1.00 0.00 C ATOM 307 C LEU A 20 70.941 0.726 -0.831 1.00 0.00 C ATOM 308 O LEU A 20 70.608 1.113 -1.931 1.00 0.00 O ATOM 309 CB LEU A 20 70.406 2.898 0.307 1.00 0.00 C ATOM 310 CG LEU A 20 69.103 2.466 0.979 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.237 2.612 2.496 1.00 0.00 C ATOM 312 CD2 LEU A 20 67.958 3.350 0.482 1.00 0.00 C ATOM 0 H LEU A 20 72.682 3.044 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 20 71.400 1.158 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.855 3.725 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.205 3.259 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 20 68.894 1.425 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.308 2.304 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 20 70.054 1.984 2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.445 3.653 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.028 3.043 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.168 4.391 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 20 67.862 3.247 -0.599 1.00 0.00 H new ATOM 324 N ALA A 21 70.925 -0.544 -0.534 1.00 0.00 N ATOM 325 CA ALA A 21 70.493 -1.532 -1.561 1.00 0.00 C ATOM 326 C ALA A 21 68.995 -1.368 -1.817 1.00 0.00 C ATOM 327 O ALA A 21 68.227 -1.143 -0.905 1.00 0.00 O ATOM 328 CB ALA A 21 70.790 -2.901 -0.948 1.00 0.00 C ATOM 0 H ALA A 21 71.190 -0.938 0.369 1.00 0.00 H new ATOM 0 HA ALA A 21 71.005 -1.403 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.498 -3.684 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.856 -2.982 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.228 -3.014 -0.021 1.00 0.00 H new ATOM 334 N LYS A 22 68.568 -1.471 -3.046 1.00 0.00 N ATOM 335 CA LYS A 22 67.116 -1.309 -3.333 1.00 0.00 C ATOM 336 C LYS A 22 66.650 -2.333 -4.363 1.00 0.00 C ATOM 337 O LYS A 22 67.438 -3.024 -4.979 1.00 0.00 O ATOM 338 CB LYS A 22 66.966 0.103 -3.894 1.00 0.00 C ATOM 339 CG LYS A 22 65.488 0.382 -4.176 1.00 0.00 C ATOM 340 CD LYS A 22 65.312 1.842 -4.598 1.00 0.00 C ATOM 341 CE LYS A 22 64.062 1.972 -5.470 1.00 0.00 C ATOM 342 NZ LYS A 22 64.226 3.268 -6.186 1.00 0.00 N ATOM 0 H LYS A 22 69.157 -1.659 -3.857 1.00 0.00 H new ATOM 0 HA LYS A 22 66.514 -1.461 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.356 0.832 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.548 0.207 -4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.126 -0.280 -4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 22 64.893 0.176 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.222 2.478 -3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 22 66.190 2.181 -5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 22 63.981 1.141 -6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 22 63.156 1.967 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.555 3.314 -6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 64.040 4.053 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 65.197 3.343 -6.550 1.00 0.00 H new ATOM 356 N ASN A 23 65.369 -2.423 -4.554 1.00 0.00 N ATOM 357 CA ASN A 23 64.822 -3.392 -5.549 1.00 0.00 C ATOM 358 C ASN A 23 65.163 -4.829 -5.146 1.00 0.00 C ATOM 359 O ASN A 23 65.562 -5.634 -5.965 1.00 0.00 O ATOM 360 CB ASN A 23 65.505 -3.029 -6.867 1.00 0.00 C ATOM 361 CG ASN A 23 64.631 -3.483 -8.038 1.00 0.00 C ATOM 362 OD1 ASN A 23 63.506 -3.045 -8.175 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.102 -4.349 -8.891 1.00 0.00 N ATOM 0 H ASN A 23 64.669 -1.866 -4.064 1.00 0.00 H new ATOM 0 HA ASN A 23 63.736 -3.338 -5.620 1.00 0.00 H new ATOM 0 HB2 ASN A 23 65.670 -1.953 -6.919 1.00 0.00 H new ATOM 0 HB3 ASN A 23 66.484 -3.505 -6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 23 64.526 -4.659 -9.674 1.00 0.00 H new ATOM 0 HD22 ASN A 23 66.046 -4.717 -8.776 1.00 0.00 H new ATOM 370 N LEU A 24 65.007 -5.160 -3.894 1.00 0.00 N ATOM 371 CA LEU A 24 65.319 -6.549 -3.448 1.00 0.00 C ATOM 372 C LEU A 24 64.032 -7.374 -3.373 1.00 0.00 C ATOM 373 O LEU A 24 62.967 -6.917 -3.738 1.00 0.00 O ATOM 374 CB LEU A 24 65.936 -6.395 -2.058 1.00 0.00 C ATOM 375 CG LEU A 24 67.320 -5.755 -2.178 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.460 -4.640 -1.140 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.395 -6.816 -1.930 1.00 0.00 C ATOM 0 H LEU A 24 64.678 -4.531 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 24 65.992 -7.062 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.293 -5.779 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.015 -7.369 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 24 67.441 -5.339 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.446 -4.184 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.695 -3.884 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.339 -5.056 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.382 -6.361 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.272 -7.232 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.298 -7.612 -2.668 1.00 0.00 H new ATOM 389 N SER A 25 64.121 -8.585 -2.898 1.00 0.00 N ATOM 390 CA SER A 25 62.902 -9.436 -2.795 1.00 0.00 C ATOM 391 C SER A 25 62.717 -9.910 -1.353 1.00 0.00 C ATOM 392 O SER A 25 63.573 -9.719 -0.512 1.00 0.00 O ATOM 393 CB SER A 25 63.165 -10.622 -3.722 1.00 0.00 C ATOM 394 OG SER A 25 62.005 -10.871 -4.506 1.00 0.00 O ATOM 0 H SER A 25 64.985 -9.022 -2.577 1.00 0.00 H new ATOM 0 HA SER A 25 61.995 -8.899 -3.074 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.017 -10.411 -4.369 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.420 -11.506 -3.137 1.00 0.00 H new ATOM 0 HG SER A 25 62.171 -11.630 -5.103 1.00 0.00 H new ATOM 400 N PHE A 26 61.605 -10.523 -1.058 1.00 0.00 N ATOM 401 CA PHE A 26 61.363 -11.005 0.325 1.00 0.00 C ATOM 402 C PHE A 26 62.176 -12.273 0.595 1.00 0.00 C ATOM 403 O PHE A 26 62.234 -12.761 1.706 1.00 0.00 O ATOM 404 CB PHE A 26 59.869 -11.304 0.361 1.00 0.00 C ATOM 405 CG PHE A 26 59.128 -10.118 0.927 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.876 -9.002 0.121 1.00 0.00 C ATOM 407 CD2 PHE A 26 58.693 -10.134 2.257 1.00 0.00 C ATOM 408 CE1 PHE A 26 58.187 -7.903 0.643 1.00 0.00 C ATOM 409 CE2 PHE A 26 58.004 -9.032 2.780 1.00 0.00 C ATOM 410 CZ PHE A 26 57.750 -7.918 1.972 1.00 0.00 C ATOM 0 H PHE A 26 60.852 -10.710 -1.720 1.00 0.00 H new ATOM 0 HA PHE A 26 61.659 -10.280 1.083 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.508 -11.525 -0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.680 -12.188 0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.214 -8.990 -0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 26 58.888 -10.995 2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.992 -7.042 0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 26 57.669 -9.042 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 26 57.216 -7.070 2.374 1.00 0.00 H new ATOM 420 N ASN A 27 62.804 -12.812 -0.414 1.00 0.00 N ATOM 421 CA ASN A 27 63.608 -14.045 -0.221 1.00 0.00 C ATOM 422 C ASN A 27 65.051 -13.684 0.136 1.00 0.00 C ATOM 423 O ASN A 27 65.708 -14.380 0.885 1.00 0.00 O ATOM 424 CB ASN A 27 63.553 -14.772 -1.565 1.00 0.00 C ATOM 425 CG ASN A 27 62.943 -16.161 -1.369 1.00 0.00 C ATOM 426 OD1 ASN A 27 62.400 -16.457 -0.324 1.00 0.00 O ATOM 427 ND2 ASN A 27 63.011 -17.033 -2.339 1.00 0.00 N ATOM 0 H ASN A 27 62.793 -12.447 -1.367 1.00 0.00 H new ATOM 0 HA ASN A 27 63.225 -14.664 0.591 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.958 -14.199 -2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 27 64.555 -14.859 -1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 27 62.608 -17.962 -2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 27 63.467 -16.785 -3.217 1.00 0.00 H new ATOM 434 N ILE A 28 65.552 -12.602 -0.395 1.00 0.00 N ATOM 435 CA ILE A 28 66.953 -12.203 -0.085 1.00 0.00 C ATOM 436 C ILE A 28 67.044 -11.666 1.348 1.00 0.00 C ATOM 437 O ILE A 28 66.044 -11.389 1.981 1.00 0.00 O ATOM 438 CB ILE A 28 67.296 -11.112 -1.103 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.816 -10.957 -1.185 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.671 -9.782 -0.676 1.00 0.00 C ATOM 441 CD1 ILE A 28 69.201 -10.430 -2.568 1.00 0.00 C ATOM 0 H ILE A 28 65.052 -11.978 -1.029 1.00 0.00 H new ATOM 0 HA ILE A 28 67.646 -13.042 -0.150 1.00 0.00 H new ATOM 0 HB ILE A 28 66.900 -11.395 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 28 69.164 -10.271 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 28 69.300 -11.916 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.920 -9.012 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.588 -9.891 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 28 67.059 -9.495 0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 28 70.284 -10.319 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.866 -11.132 -3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.728 -9.462 -2.733 1.00 0.00 H new ATOM 453 N THR A 29 68.234 -11.519 1.864 1.00 0.00 N ATOM 454 CA THR A 29 68.379 -11.002 3.257 1.00 0.00 C ATOM 455 C THR A 29 69.799 -10.481 3.494 1.00 0.00 C ATOM 456 O THR A 29 70.586 -10.345 2.576 1.00 0.00 O ATOM 457 CB THR A 29 68.094 -12.206 4.157 1.00 0.00 C ATOM 458 OG1 THR A 29 68.682 -13.368 3.588 1.00 0.00 O ATOM 459 CG2 THR A 29 66.583 -12.404 4.283 1.00 0.00 C ATOM 0 H THR A 29 69.109 -11.733 1.385 1.00 0.00 H new ATOM 0 HA THR A 29 67.703 -10.170 3.456 1.00 0.00 H new ATOM 0 HB THR A 29 68.518 -12.031 5.146 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.502 -14.141 4.163 1.00 0.00 H new ATOM 0 HG21 THR A 29 66.381 -13.262 4.924 1.00 0.00 H new ATOM 0 HG22 THR A 29 66.134 -11.511 4.719 1.00 0.00 H new ATOM 0 HG23 THR A 29 66.156 -12.580 3.296 1.00 0.00 H new ATOM 467 N GLU A 30 70.133 -10.188 4.723 1.00 0.00 N ATOM 468 CA GLU A 30 71.500 -9.676 5.022 1.00 0.00 C ATOM 469 C GLU A 30 72.546 -10.690 4.563 1.00 0.00 C ATOM 470 O GLU A 30 73.514 -10.349 3.912 1.00 0.00 O ATOM 471 CB GLU A 30 71.540 -9.510 6.542 1.00 0.00 C ATOM 472 CG GLU A 30 71.886 -8.060 6.886 1.00 0.00 C ATOM 473 CD GLU A 30 73.368 -7.960 7.249 1.00 0.00 C ATOM 474 OE1 GLU A 30 74.170 -8.559 6.552 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.677 -7.286 8.218 1.00 0.00 O ATOM 0 H GLU A 30 69.518 -10.281 5.531 1.00 0.00 H new ATOM 0 HA GLU A 30 71.715 -8.739 4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.575 -9.777 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 30 72.280 -10.184 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 30 71.664 -7.411 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.273 -7.717 7.719 1.00 0.00 H new ATOM 482 N ASP A 31 72.351 -11.934 4.888 1.00 0.00 N ATOM 483 CA ASP A 31 73.329 -12.973 4.461 1.00 0.00 C ATOM 484 C ASP A 31 73.528 -12.891 2.948 1.00 0.00 C ATOM 485 O ASP A 31 74.635 -12.954 2.448 1.00 0.00 O ATOM 486 CB ASP A 31 72.693 -14.307 4.852 1.00 0.00 C ATOM 487 CG ASP A 31 72.960 -14.585 6.333 1.00 0.00 C ATOM 488 OD1 ASP A 31 73.851 -13.959 6.882 1.00 0.00 O ATOM 489 OD2 ASP A 31 72.268 -15.420 6.892 1.00 0.00 O ATOM 0 H ASP A 31 71.558 -12.278 5.430 1.00 0.00 H new ATOM 0 HA ASP A 31 74.307 -12.847 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.620 -14.279 4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 31 73.103 -15.111 4.240 1.00 0.00 H new ATOM 494 N GLU A 32 72.460 -12.734 2.219 1.00 0.00 N ATOM 495 CA GLU A 32 72.574 -12.631 0.738 1.00 0.00 C ATOM 496 C GLU A 32 73.283 -11.331 0.368 1.00 0.00 C ATOM 497 O GLU A 32 74.076 -11.277 -0.554 1.00 0.00 O ATOM 498 CB GLU A 32 71.133 -12.621 0.229 1.00 0.00 C ATOM 499 CG GLU A 32 70.993 -13.606 -0.934 1.00 0.00 C ATOM 500 CD GLU A 32 70.146 -14.803 -0.497 1.00 0.00 C ATOM 501 OE1 GLU A 32 69.686 -14.801 0.633 1.00 0.00 O ATOM 502 OE2 GLU A 32 69.970 -15.703 -1.302 1.00 0.00 O ATOM 0 H GLU A 32 71.510 -12.672 2.586 1.00 0.00 H new ATOM 0 HA GLU A 32 73.149 -13.449 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.450 -12.894 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.858 -11.617 -0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 32 70.529 -13.112 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.978 -13.944 -1.258 1.00 0.00 H new ATOM 509 N LEU A 33 73.019 -10.288 1.099 1.00 0.00 N ATOM 510 CA LEU A 33 73.686 -8.993 0.812 1.00 0.00 C ATOM 511 C LEU A 33 75.134 -9.089 1.267 1.00 0.00 C ATOM 512 O LEU A 33 76.039 -8.611 0.614 1.00 0.00 O ATOM 513 CB LEU A 33 72.914 -7.955 1.626 1.00 0.00 C ATOM 514 CG LEU A 33 71.521 -7.770 1.022 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.671 -6.893 1.942 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.647 -7.097 -0.348 1.00 0.00 C ATOM 0 H LEU A 33 72.368 -10.277 1.885 1.00 0.00 H new ATOM 0 HA LEU A 33 73.688 -8.729 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.833 -8.278 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.450 -7.006 1.628 1.00 0.00 H new ATOM 0 HG LEU A 33 71.044 -8.744 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.680 -6.764 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.580 -7.370 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 33 71.146 -5.919 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.655 -6.964 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 33 72.126 -6.125 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.249 -7.723 -1.007 1.00 0.00 H new ATOM 528 N LYS A 34 75.363 -9.734 2.378 1.00 0.00 N ATOM 529 CA LYS A 34 76.756 -9.885 2.858 1.00 0.00 C ATOM 530 C LYS A 34 77.486 -10.864 1.947 1.00 0.00 C ATOM 531 O LYS A 34 78.691 -10.827 1.798 1.00 0.00 O ATOM 532 CB LYS A 34 76.646 -10.434 4.281 1.00 0.00 C ATOM 533 CG LYS A 34 78.014 -10.943 4.738 1.00 0.00 C ATOM 534 CD LYS A 34 78.063 -10.981 6.266 1.00 0.00 C ATOM 535 CE LYS A 34 78.048 -9.551 6.813 1.00 0.00 C ATOM 536 NZ LYS A 34 79.163 -8.858 6.109 1.00 0.00 N ATOM 0 H LYS A 34 74.647 -10.159 2.968 1.00 0.00 H new ATOM 0 HA LYS A 34 77.312 -8.947 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 34 76.292 -9.655 4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.915 -11.242 4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 34 78.197 -11.939 4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 34 78.801 -10.294 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 34 77.211 -11.539 6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 34 78.962 -11.500 6.599 1.00 0.00 H new ATOM 0 HE2 LYS A 34 77.093 -9.063 6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.195 -9.540 7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.530 -8.093 6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.924 -9.538 5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 78.814 -8.459 5.214 1.00 0.00 H new ATOM 550 N GLU A 35 76.743 -11.730 1.325 1.00 0.00 N ATOM 551 CA GLU A 35 77.349 -12.716 0.397 1.00 0.00 C ATOM 552 C GLU A 35 77.468 -12.092 -0.994 1.00 0.00 C ATOM 553 O GLU A 35 78.307 -12.468 -1.788 1.00 0.00 O ATOM 554 CB GLU A 35 76.377 -13.897 0.379 1.00 0.00 C ATOM 555 CG GLU A 35 76.806 -14.896 -0.699 1.00 0.00 C ATOM 556 CD GLU A 35 76.956 -16.285 -0.075 1.00 0.00 C ATOM 557 OE1 GLU A 35 77.808 -16.437 0.786 1.00 0.00 O ATOM 558 OE2 GLU A 35 76.217 -17.172 -0.467 1.00 0.00 O ATOM 0 H GLU A 35 75.730 -11.797 1.422 1.00 0.00 H new ATOM 0 HA GLU A 35 78.348 -13.027 0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 35 76.361 -14.383 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.364 -13.545 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.067 -14.923 -1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.749 -14.582 -1.146 1.00 0.00 H new ATOM 565 N VAL A 36 76.638 -11.126 -1.285 1.00 0.00 N ATOM 566 CA VAL A 36 76.704 -10.458 -2.612 1.00 0.00 C ATOM 567 C VAL A 36 77.817 -9.413 -2.590 1.00 0.00 C ATOM 568 O VAL A 36 78.497 -9.191 -3.573 1.00 0.00 O ATOM 569 CB VAL A 36 75.338 -9.788 -2.787 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.425 -8.711 -3.870 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.303 -10.837 -3.200 1.00 0.00 C ATOM 0 H VAL A 36 75.916 -10.772 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 36 76.917 -11.150 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 36 75.040 -9.330 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.451 -8.237 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.160 -7.961 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 36 75.726 -9.167 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.331 -10.360 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 36 74.605 -11.295 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.235 -11.604 -2.429 1.00 0.00 H new ATOM 581 N PHE A 37 78.007 -8.771 -1.470 1.00 0.00 N ATOM 582 CA PHE A 37 79.067 -7.742 -1.371 1.00 0.00 C ATOM 583 C PHE A 37 80.401 -8.389 -0.995 1.00 0.00 C ATOM 584 O PHE A 37 81.448 -8.005 -1.476 1.00 0.00 O ATOM 585 CB PHE A 37 78.579 -6.806 -0.268 1.00 0.00 C ATOM 586 CG PHE A 37 77.133 -6.440 -0.519 1.00 0.00 C ATOM 587 CD1 PHE A 37 76.615 -6.482 -1.820 1.00 0.00 C ATOM 588 CD2 PHE A 37 76.312 -6.063 0.550 1.00 0.00 C ATOM 589 CE1 PHE A 37 75.276 -6.146 -2.052 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.973 -5.727 0.317 1.00 0.00 C ATOM 591 CZ PHE A 37 74.456 -5.769 -0.984 1.00 0.00 C ATOM 0 H PHE A 37 77.468 -8.920 -0.617 1.00 0.00 H new ATOM 0 HA PHE A 37 79.237 -7.216 -2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 37 78.679 -7.289 0.704 1.00 0.00 H new ATOM 0 HB3 PHE A 37 79.194 -5.906 -0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 37 77.249 -6.774 -2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 37 76.711 -6.031 1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 37 74.877 -6.178 -3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 37 74.338 -5.435 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 37 73.423 -5.510 -1.162 1.00 0.00 H new ATOM 601 N GLU A 38 80.359 -9.373 -0.145 1.00 0.00 N ATOM 602 CA GLU A 38 81.612 -10.068 0.273 1.00 0.00 C ATOM 603 C GLU A 38 82.756 -9.065 0.451 1.00 0.00 C ATOM 604 O GLU A 38 83.913 -9.392 0.276 1.00 0.00 O ATOM 605 CB GLU A 38 81.926 -11.036 -0.869 1.00 0.00 C ATOM 606 CG GLU A 38 81.379 -12.424 -0.527 1.00 0.00 C ATOM 607 CD GLU A 38 82.179 -13.487 -1.283 1.00 0.00 C ATOM 608 OE1 GLU A 38 83.391 -13.490 -1.155 1.00 0.00 O ATOM 609 OE2 GLU A 38 81.564 -14.279 -1.978 1.00 0.00 O ATOM 0 H GLU A 38 79.505 -9.731 0.283 1.00 0.00 H new ATOM 0 HA GLU A 38 81.494 -10.580 1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.481 -10.677 -1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 38 83.003 -11.087 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.446 -12.599 0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 38 80.325 -12.488 -0.796 1.00 0.00 H new ATOM 616 N ASP A 39 82.444 -7.846 0.796 1.00 0.00 N ATOM 617 CA ASP A 39 83.519 -6.828 0.981 1.00 0.00 C ATOM 618 C ASP A 39 83.069 -5.751 1.970 1.00 0.00 C ATOM 619 O ASP A 39 83.850 -5.250 2.754 1.00 0.00 O ATOM 620 CB ASP A 39 83.735 -6.225 -0.407 1.00 0.00 C ATOM 621 CG ASP A 39 85.112 -5.562 -0.468 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.417 -4.791 0.427 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.838 -5.838 -1.408 1.00 0.00 O ATOM 0 H ASP A 39 81.494 -7.511 0.958 1.00 0.00 H new ATOM 0 HA ASP A 39 84.433 -7.264 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.660 -7.002 -1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 39 82.957 -5.492 -0.622 1.00 0.00 H new ATOM 628 N ALA A 40 81.818 -5.386 1.936 1.00 0.00 N ATOM 629 CA ALA A 40 81.326 -4.337 2.872 1.00 0.00 C ATOM 630 C ALA A 40 81.542 -4.774 4.326 1.00 0.00 C ATOM 631 O ALA A 40 82.098 -5.820 4.594 1.00 0.00 O ATOM 632 CB ALA A 40 79.834 -4.204 2.568 1.00 0.00 C ATOM 0 H ALA A 40 81.116 -5.768 1.302 1.00 0.00 H new ATOM 0 HA ALA A 40 81.855 -3.392 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.396 -3.447 3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 40 79.700 -3.909 1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.341 -5.161 2.741 1.00 0.00 H new ATOM 638 N LEU A 41 81.098 -3.980 5.264 1.00 0.00 N ATOM 639 CA LEU A 41 81.266 -4.346 6.696 1.00 0.00 C ATOM 640 C LEU A 41 79.977 -4.977 7.211 1.00 0.00 C ATOM 641 O LEU A 41 79.988 -5.957 7.929 1.00 0.00 O ATOM 642 CB LEU A 41 81.527 -3.036 7.449 1.00 0.00 C ATOM 643 CG LEU A 41 82.370 -2.085 6.600 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.386 -0.701 7.251 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.798 -2.624 6.504 1.00 0.00 C ATOM 0 H LEU A 41 80.625 -3.092 5.097 1.00 0.00 H new ATOM 0 HA LEU A 41 82.081 -5.056 6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.579 -2.562 7.703 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.040 -3.246 8.387 1.00 0.00 H new ATOM 0 HG LEU A 41 81.943 -2.009 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.987 -0.022 6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.367 -0.320 7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.815 -0.774 8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.402 -1.948 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.227 -2.698 7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.784 -3.611 6.041 1.00 0.00 H new ATOM 657 N GLU A 42 78.867 -4.406 6.846 1.00 0.00 N ATOM 658 CA GLU A 42 77.559 -4.949 7.309 1.00 0.00 C ATOM 659 C GLU A 42 76.434 -4.460 6.399 1.00 0.00 C ATOM 660 O GLU A 42 76.616 -3.573 5.588 1.00 0.00 O ATOM 661 CB GLU A 42 77.380 -4.399 8.725 1.00 0.00 C ATOM 662 CG GLU A 42 78.181 -5.254 9.708 1.00 0.00 C ATOM 663 CD GLU A 42 77.378 -5.437 10.997 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.199 -5.737 10.900 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.956 -5.276 12.060 1.00 0.00 O ATOM 0 H GLU A 42 78.807 -3.584 6.245 1.00 0.00 H new ATOM 0 HA GLU A 42 77.534 -6.039 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.716 -3.363 8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.325 -4.404 8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.403 -6.225 9.265 1.00 0.00 H new ATOM 0 HG3 GLU A 42 79.136 -4.777 9.927 1.00 0.00 H new ATOM 672 N ILE A 43 75.273 -5.038 6.523 1.00 0.00 N ATOM 673 CA ILE A 43 74.136 -4.611 5.661 1.00 0.00 C ATOM 674 C ILE A 43 72.845 -4.514 6.473 1.00 0.00 C ATOM 675 O ILE A 43 72.588 -5.309 7.356 1.00 0.00 O ATOM 676 CB ILE A 43 74.013 -5.707 4.607 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.309 -5.791 3.799 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.846 -5.387 3.673 1.00 0.00 C ATOM 679 CD1 ILE A 43 76.193 -6.906 4.363 1.00 0.00 C ATOM 0 H ILE A 43 75.062 -5.787 7.183 1.00 0.00 H new ATOM 0 HA ILE A 43 74.305 -3.627 5.223 1.00 0.00 H new ATOM 0 HB ILE A 43 73.833 -6.663 5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.084 -5.986 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.837 -4.838 3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.758 -6.170 2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.923 -5.333 4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.024 -4.430 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 43 77.116 -6.965 3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.429 -6.691 5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.664 -7.857 4.299 1.00 0.00 H new ATOM 691 N ARG A 44 72.026 -3.551 6.165 1.00 0.00 N ATOM 692 CA ARG A 44 70.740 -3.393 6.895 1.00 0.00 C ATOM 693 C ARG A 44 69.577 -3.597 5.923 1.00 0.00 C ATOM 694 O ARG A 44 69.751 -3.574 4.723 1.00 0.00 O ATOM 695 CB ARG A 44 70.758 -1.962 7.428 1.00 0.00 C ATOM 696 CG ARG A 44 71.103 -1.982 8.916 1.00 0.00 C ATOM 697 CD ARG A 44 69.874 -1.577 9.733 1.00 0.00 C ATOM 698 NE ARG A 44 70.413 -0.781 10.870 1.00 0.00 N ATOM 699 CZ ARG A 44 69.621 -0.001 11.554 1.00 0.00 C ATOM 700 NH1 ARG A 44 69.309 1.179 11.092 1.00 0.00 N ATOM 701 NH2 ARG A 44 69.141 -0.400 12.701 1.00 0.00 N ATOM 0 H ARG A 44 72.193 -2.861 5.433 1.00 0.00 H new ATOM 0 HA ARG A 44 70.620 -4.116 7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.490 -1.367 6.881 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.786 -1.492 7.274 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.435 -2.978 9.209 1.00 0.00 H new ATOM 0 HG3 ARG A 44 71.928 -1.299 9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 44 69.178 -0.989 9.134 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.329 -2.452 10.087 1.00 0.00 H new ATOM 0 HE ARG A 44 71.401 -0.845 11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 44 69.684 1.492 10.196 1.00 0.00 H new ATOM 0 HH12 ARG A 44 68.690 1.789 11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 44 69.385 -1.322 13.063 1.00 0.00 H new ATOM 0 HH22 ARG A 44 68.522 0.210 13.235 1.00 0.00 H new ATOM 715 N LEU A 45 68.396 -3.808 6.430 1.00 0.00 N ATOM 716 CA LEU A 45 67.227 -4.030 5.537 1.00 0.00 C ATOM 717 C LEU A 45 66.260 -2.842 5.605 1.00 0.00 C ATOM 718 O LEU A 45 66.268 -2.078 6.550 1.00 0.00 O ATOM 719 CB LEU A 45 66.601 -5.341 6.060 1.00 0.00 C ATOM 720 CG LEU A 45 65.319 -5.103 6.884 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.570 -4.072 7.986 1.00 0.00 C ATOM 722 CD2 LEU A 45 64.196 -4.613 5.967 1.00 0.00 C ATOM 0 H LEU A 45 68.189 -3.836 7.428 1.00 0.00 H new ATOM 0 HA LEU A 45 67.495 -4.110 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 45 66.370 -5.990 5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 45 67.331 -5.867 6.676 1.00 0.00 H new ATOM 0 HG LEU A 45 65.026 -6.045 7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 45 64.654 -3.918 8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.354 -4.434 8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.881 -3.128 7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 45 63.293 -4.447 6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 45 64.496 -3.680 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 45 63.998 -5.363 5.202 1.00 0.00 H new ATOM 734 N VAL A 46 65.416 -2.694 4.618 1.00 0.00 N ATOM 735 CA VAL A 46 64.438 -1.569 4.635 1.00 0.00 C ATOM 736 C VAL A 46 63.263 -1.858 3.694 1.00 0.00 C ATOM 737 O VAL A 46 63.439 -2.180 2.528 1.00 0.00 O ATOM 738 CB VAL A 46 65.214 -0.355 4.150 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.236 0.768 3.811 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.171 0.108 5.249 1.00 0.00 C ATOM 0 H VAL A 46 65.362 -3.303 3.802 1.00 0.00 H new ATOM 0 HA VAL A 46 64.017 -1.417 5.629 1.00 0.00 H new ATOM 0 HB VAL A 46 65.787 -0.616 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.790 1.640 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.556 0.434 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 46 63.664 1.033 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.728 0.978 4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 46 65.601 0.372 6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 46 66.866 -0.696 5.489 1.00 0.00 H new ATOM 750 N SER A 47 62.066 -1.735 4.201 1.00 0.00 N ATOM 751 CA SER A 47 60.861 -1.990 3.364 1.00 0.00 C ATOM 752 C SER A 47 60.737 -0.931 2.267 1.00 0.00 C ATOM 753 O SER A 47 61.004 0.234 2.484 1.00 0.00 O ATOM 754 CB SER A 47 59.686 -1.889 4.337 1.00 0.00 C ATOM 755 OG SER A 47 60.024 -0.998 5.391 1.00 0.00 O ATOM 0 H SER A 47 61.871 -1.467 5.166 1.00 0.00 H new ATOM 0 HA SER A 47 60.903 -2.957 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 47 58.797 -1.533 3.816 1.00 0.00 H new ATOM 0 HB3 SER A 47 59.447 -2.873 4.740 1.00 0.00 H new ATOM 0 HG SER A 47 60.263 -1.512 6.190 1.00 0.00 H new ATOM 761 N GLN A 48 60.330 -1.327 1.093 1.00 0.00 N ATOM 762 CA GLN A 48 60.184 -0.338 -0.014 1.00 0.00 C ATOM 763 C GLN A 48 58.799 0.310 0.042 1.00 0.00 C ATOM 764 O GLN A 48 58.083 0.183 1.015 1.00 0.00 O ATOM 765 CB GLN A 48 60.347 -1.153 -1.297 1.00 0.00 C ATOM 766 CG GLN A 48 60.983 -0.278 -2.379 1.00 0.00 C ATOM 767 CD GLN A 48 60.177 -0.400 -3.674 1.00 0.00 C ATOM 768 OE1 GLN A 48 59.810 -1.486 -4.073 1.00 0.00 O ATOM 769 NE2 GLN A 48 59.887 0.678 -4.350 1.00 0.00 N ATOM 0 H GLN A 48 60.093 -2.289 0.852 1.00 0.00 H new ATOM 0 HA GLN A 48 60.915 0.468 0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 48 60.970 -2.027 -1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 48 59.377 -1.519 -1.634 1.00 0.00 H new ATOM 0 HG2 GLN A 48 61.010 0.761 -2.052 1.00 0.00 H new ATOM 0 HG3 GLN A 48 62.015 -0.585 -2.550 1.00 0.00 H new ATOM 0 HE21 GLN A 48 60.196 1.590 -4.013 1.00 0.00 H new ATOM 0 HE22 GLN A 48 59.351 0.609 -5.215 1.00 0.00 H new ATOM 778 N ASP A 49 58.413 1.005 -0.994 1.00 0.00 N ATOM 779 CA ASP A 49 57.073 1.659 -0.993 1.00 0.00 C ATOM 780 C ASP A 49 56.000 0.666 -0.537 1.00 0.00 C ATOM 781 O ASP A 49 54.947 1.048 -0.067 1.00 0.00 O ATOM 782 CB ASP A 49 56.835 2.078 -2.444 1.00 0.00 C ATOM 783 CG ASP A 49 56.710 0.833 -3.323 1.00 0.00 C ATOM 784 OD1 ASP A 49 57.356 -0.155 -3.013 1.00 0.00 O ATOM 785 OD2 ASP A 49 55.970 0.887 -4.291 1.00 0.00 O ATOM 0 H ASP A 49 58.966 1.148 -1.839 1.00 0.00 H new ATOM 0 HA ASP A 49 57.029 2.509 -0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 49 55.928 2.679 -2.516 1.00 0.00 H new ATOM 0 HB3 ASP A 49 57.659 2.701 -2.793 1.00 0.00 H new ATOM 790 N GLY A 50 56.260 -0.607 -0.671 1.00 0.00 N ATOM 791 CA GLY A 50 55.258 -1.622 -0.244 1.00 0.00 C ATOM 792 C GLY A 50 55.955 -2.964 -0.015 1.00 0.00 C ATOM 793 O GLY A 50 55.383 -4.016 -0.221 1.00 0.00 O ATOM 0 H GLY A 50 57.124 -0.987 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 50 54.763 -1.297 0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.485 -1.727 -1.005 1.00 0.00 H new ATOM 797 N LYS A 51 57.188 -2.935 0.411 1.00 0.00 N ATOM 798 CA LYS A 51 57.927 -4.208 0.655 1.00 0.00 C ATOM 799 C LYS A 51 58.399 -4.276 2.106 1.00 0.00 C ATOM 800 O LYS A 51 58.198 -3.365 2.880 1.00 0.00 O ATOM 801 CB LYS A 51 59.126 -4.157 -0.294 1.00 0.00 C ATOM 802 CG LYS A 51 58.799 -4.930 -1.574 1.00 0.00 C ATOM 803 CD LYS A 51 60.014 -5.760 -1.995 1.00 0.00 C ATOM 804 CE LYS A 51 59.776 -6.344 -3.389 1.00 0.00 C ATOM 805 NZ LYS A 51 59.312 -7.738 -3.147 1.00 0.00 N ATOM 0 H LYS A 51 57.717 -2.084 0.601 1.00 0.00 H new ATOM 0 HA LYS A 51 57.304 -5.086 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 51 59.369 -3.122 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 51 60.004 -4.587 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 51 57.940 -5.581 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 51 58.525 -4.237 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 51 60.909 -5.138 -1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 51 60.186 -6.562 -1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 51 59.029 -5.769 -3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 51 60.689 -6.329 -3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 59.209 -8.232 -4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 60.008 -8.238 -2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 58.395 -7.718 -2.658 1.00 0.00 H new ATOM 819 N SER A 52 59.024 -5.356 2.473 1.00 0.00 N ATOM 820 CA SER A 52 59.520 -5.503 3.873 1.00 0.00 C ATOM 821 C SER A 52 61.049 -5.542 3.878 1.00 0.00 C ATOM 822 O SER A 52 61.661 -6.015 4.814 1.00 0.00 O ATOM 823 CB SER A 52 58.955 -6.835 4.354 1.00 0.00 C ATOM 824 OG SER A 52 59.080 -6.919 5.768 1.00 0.00 O ATOM 0 H SER A 52 59.215 -6.150 1.862 1.00 0.00 H new ATOM 0 HA SER A 52 59.213 -4.676 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 52 57.908 -6.924 4.065 1.00 0.00 H new ATOM 0 HB3 SER A 52 59.488 -7.660 3.881 1.00 0.00 H new ATOM 0 HG SER A 52 59.991 -6.671 6.031 1.00 0.00 H new ATOM 830 N LYS A 53 61.652 -5.028 2.838 1.00 0.00 N ATOM 831 CA LYS A 53 63.135 -4.989 2.719 1.00 0.00 C ATOM 832 C LYS A 53 63.534 -4.935 1.255 1.00 0.00 C ATOM 833 O LYS A 53 64.661 -5.235 0.913 1.00 0.00 O ATOM 834 CB LYS A 53 63.705 -6.258 3.331 1.00 0.00 C ATOM 835 CG LYS A 53 62.925 -7.478 2.833 1.00 0.00 C ATOM 836 CD LYS A 53 62.762 -8.486 3.973 1.00 0.00 C ATOM 837 CE LYS A 53 64.139 -8.848 4.534 1.00 0.00 C ATOM 838 NZ LYS A 53 64.061 -10.306 4.831 1.00 0.00 N ATOM 0 H LYS A 53 61.159 -4.622 2.043 1.00 0.00 H new ATOM 0 HA LYS A 53 63.518 -4.107 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 53 64.758 -6.357 3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 53 63.653 -6.202 4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 53 61.947 -7.170 2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 53 63.450 -7.941 1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 53 62.137 -8.064 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 53 62.258 -9.382 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 53 64.928 -8.633 3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 53 64.363 -8.273 5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 64.674 -10.529 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 63.079 -10.562 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 64.375 -10.847 4.000 1.00 0.00 H new ATOM 852 N GLY A 54 62.653 -4.511 0.375 1.00 0.00 N ATOM 853 CA GLY A 54 63.060 -4.398 -1.048 1.00 0.00 C ATOM 854 C GLY A 54 64.374 -3.636 -1.042 1.00 0.00 C ATOM 855 O GLY A 54 65.186 -3.738 -1.939 1.00 0.00 O ATOM 0 H GLY A 54 61.690 -4.245 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.181 -5.383 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 54 62.304 -3.871 -1.630 1.00 0.00 H new ATOM 859 N ILE A 55 64.591 -2.884 0.009 1.00 0.00 N ATOM 860 CA ILE A 55 65.853 -2.127 0.138 1.00 0.00 C ATOM 861 C ILE A 55 66.682 -2.708 1.292 1.00 0.00 C ATOM 862 O ILE A 55 66.188 -3.457 2.112 1.00 0.00 O ATOM 863 CB ILE A 55 65.400 -0.702 0.448 1.00 0.00 C ATOM 864 CG1 ILE A 55 65.050 0.016 -0.858 1.00 0.00 C ATOM 865 CG2 ILE A 55 66.519 0.051 1.157 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.803 0.876 -0.649 1.00 0.00 C ATOM 0 H ILE A 55 63.937 -2.768 0.783 1.00 0.00 H new ATOM 0 HA ILE A 55 66.480 -2.170 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 55 64.523 -0.735 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 55 65.885 0.639 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 55 64.874 -0.712 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 55 66.192 1.067 1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.768 -0.459 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 55 67.399 0.084 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.554 1.387 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.969 0.241 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.996 1.613 0.130 1.00 0.00 H new ATOM 878 N ALA A 56 67.930 -2.347 1.367 1.00 0.00 N ATOM 879 CA ALA A 56 68.799 -2.846 2.468 1.00 0.00 C ATOM 880 C ALA A 56 70.040 -1.953 2.560 1.00 0.00 C ATOM 881 O ALA A 56 70.711 -1.717 1.577 1.00 0.00 O ATOM 882 CB ALA A 56 69.186 -4.269 2.059 1.00 0.00 C ATOM 0 H ALA A 56 68.391 -1.721 0.706 1.00 0.00 H new ATOM 0 HA ALA A 56 68.307 -2.834 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.829 -4.705 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.286 -4.875 1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.719 -4.242 1.109 1.00 0.00 H new ATOM 888 N TYR A 57 70.351 -1.441 3.720 1.00 0.00 N ATOM 889 CA TYR A 57 71.548 -0.555 3.832 1.00 0.00 C ATOM 890 C TYR A 57 72.827 -1.390 3.783 1.00 0.00 C ATOM 891 O TYR A 57 72.824 -2.564 4.094 1.00 0.00 O ATOM 892 CB TYR A 57 71.406 0.148 5.181 1.00 0.00 C ATOM 893 CG TYR A 57 71.267 1.636 4.959 1.00 0.00 C ATOM 894 CD1 TYR A 57 72.354 2.377 4.479 1.00 0.00 C ATOM 895 CD2 TYR A 57 70.051 2.275 5.232 1.00 0.00 C ATOM 896 CE1 TYR A 57 72.225 3.755 4.273 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.922 3.653 5.024 1.00 0.00 C ATOM 898 CZ TYR A 57 71.010 4.394 4.545 1.00 0.00 C ATOM 899 OH TYR A 57 70.883 5.753 4.340 1.00 0.00 O ATOM 0 H TYR A 57 69.836 -1.595 4.587 1.00 0.00 H new ATOM 0 HA TYR A 57 71.609 0.162 3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.535 -0.234 5.713 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.276 -0.058 5.804 1.00 0.00 H new ATOM 0 HD1 TYR A 57 73.292 1.885 4.268 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.213 1.704 5.603 1.00 0.00 H new ATOM 0 HE1 TYR A 57 73.064 4.326 3.904 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.984 4.145 5.233 1.00 0.00 H new ATOM 0 HH TYR A 57 69.975 6.036 4.577 1.00 0.00 H new ATOM 909 N ILE A 58 73.920 -0.802 3.380 1.00 0.00 N ATOM 910 CA ILE A 58 75.188 -1.581 3.301 1.00 0.00 C ATOM 911 C ILE A 58 76.393 -0.675 3.580 1.00 0.00 C ATOM 912 O ILE A 58 76.679 0.240 2.833 1.00 0.00 O ATOM 913 CB ILE A 58 75.235 -2.111 1.863 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.835 -2.554 1.426 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.182 -3.307 1.789 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.904 -3.147 0.018 1.00 0.00 C ATOM 0 H ILE A 58 73.990 0.177 3.104 1.00 0.00 H new ATOM 0 HA ILE A 58 75.224 -2.385 4.037 1.00 0.00 H new ATOM 0 HB ILE A 58 75.589 -1.318 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.441 -3.293 2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 58 73.152 -1.705 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.214 -3.683 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.182 -2.999 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.826 -4.094 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.908 -3.462 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.280 -2.395 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.573 -4.007 0.018 1.00 0.00 H new ATOM 928 N GLU A 59 77.103 -0.926 4.648 1.00 0.00 N ATOM 929 CA GLU A 59 78.292 -0.080 4.970 1.00 0.00 C ATOM 930 C GLU A 59 79.571 -0.834 4.616 1.00 0.00 C ATOM 931 O GLU A 59 79.740 -1.984 4.972 1.00 0.00 O ATOM 932 CB GLU A 59 78.244 0.168 6.484 1.00 0.00 C ATOM 933 CG GLU A 59 76.795 0.270 6.962 1.00 0.00 C ATOM 934 CD GLU A 59 76.649 1.472 7.898 1.00 0.00 C ATOM 935 OE1 GLU A 59 77.653 1.899 8.442 1.00 0.00 O ATOM 936 OE2 GLU A 59 75.535 1.943 8.055 1.00 0.00 O ATOM 0 H GLU A 59 76.913 -1.678 5.310 1.00 0.00 H new ATOM 0 HA GLU A 59 78.281 0.855 4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.750 -0.643 7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.779 1.087 6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.126 0.377 6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 59 76.507 -0.645 7.480 1.00 0.00 H new ATOM 943 N PHE A 60 80.479 -0.205 3.926 1.00 0.00 N ATOM 944 CA PHE A 60 81.739 -0.907 3.570 1.00 0.00 C ATOM 945 C PHE A 60 82.912 -0.327 4.355 1.00 0.00 C ATOM 946 O PHE A 60 82.794 0.675 5.032 1.00 0.00 O ATOM 947 CB PHE A 60 81.931 -0.673 2.077 1.00 0.00 C ATOM 948 CG PHE A 60 80.778 -1.281 1.318 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.492 -0.742 1.443 1.00 0.00 C ATOM 950 CD2 PHE A 60 80.995 -2.389 0.490 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.424 -1.312 0.740 1.00 0.00 C ATOM 952 CE2 PHE A 60 79.926 -2.958 -0.212 1.00 0.00 C ATOM 953 CZ PHE A 60 78.641 -2.420 -0.086 1.00 0.00 C ATOM 0 H PHE A 60 80.404 0.757 3.596 1.00 0.00 H new ATOM 0 HA PHE A 60 81.690 -1.969 3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.992 0.396 1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.871 -1.116 1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.324 0.113 2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 60 81.987 -2.805 0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.432 -0.896 0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.093 -3.812 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.816 -2.860 -0.627 1.00 0.00 H new ATOM 963 N LYS A 61 84.041 -0.961 4.268 1.00 0.00 N ATOM 964 CA LYS A 61 85.239 -0.467 5.007 1.00 0.00 C ATOM 965 C LYS A 61 85.728 0.852 4.410 1.00 0.00 C ATOM 966 O LYS A 61 86.367 1.646 5.071 1.00 0.00 O ATOM 967 CB LYS A 61 86.294 -1.560 4.831 1.00 0.00 C ATOM 968 CG LYS A 61 87.503 -1.252 5.717 1.00 0.00 C ATOM 969 CD LYS A 61 88.791 -1.541 4.944 1.00 0.00 C ATOM 970 CE LYS A 61 89.980 -1.516 5.907 1.00 0.00 C ATOM 971 NZ LYS A 61 89.924 -2.823 6.620 1.00 0.00 N ATOM 0 H LYS A 61 84.192 -1.805 3.715 1.00 0.00 H new ATOM 0 HA LYS A 61 85.022 -0.275 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.874 -2.531 5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.601 -1.619 3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.481 -0.208 6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 61 87.467 -1.857 6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 61 88.725 -2.514 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 61 88.930 -0.799 4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 61 90.921 -1.399 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.906 -0.682 6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 89.955 -2.660 7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 89.042 -3.315 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 90.737 -3.407 6.338 1.00 0.00 H new ATOM 985 N SER A 62 85.430 1.093 3.165 1.00 0.00 N ATOM 986 CA SER A 62 85.879 2.364 2.527 1.00 0.00 C ATOM 987 C SER A 62 85.092 2.619 1.238 1.00 0.00 C ATOM 988 O SER A 62 84.442 1.736 0.706 1.00 0.00 O ATOM 989 CB SER A 62 87.361 2.152 2.215 1.00 0.00 C ATOM 990 OG SER A 62 87.854 1.064 2.984 1.00 0.00 O ATOM 0 H SER A 62 84.896 0.468 2.561 1.00 0.00 H new ATOM 0 HA SER A 62 85.718 3.227 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.495 1.951 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.925 3.057 2.442 1.00 0.00 H new ATOM 0 HG SER A 62 88.803 0.926 2.784 1.00 0.00 H new ATOM 996 N GLU A 63 85.148 3.820 0.733 1.00 0.00 N ATOM 997 CA GLU A 63 84.409 4.135 -0.521 1.00 0.00 C ATOM 998 C GLU A 63 84.843 3.183 -1.635 1.00 0.00 C ATOM 999 O GLU A 63 84.053 2.790 -2.470 1.00 0.00 O ATOM 1000 CB GLU A 63 84.798 5.575 -0.862 1.00 0.00 C ATOM 1001 CG GLU A 63 83.753 6.177 -1.803 1.00 0.00 C ATOM 1002 CD GLU A 63 84.262 7.515 -2.342 1.00 0.00 C ATOM 1003 OE1 GLU A 63 84.506 8.400 -1.538 1.00 0.00 O ATOM 1004 OE2 GLU A 63 84.397 7.632 -3.549 1.00 0.00 O ATOM 0 H GLU A 63 85.673 4.597 1.134 1.00 0.00 H new ATOM 0 HA GLU A 63 83.331 4.024 -0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.868 6.169 0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.781 5.596 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.554 5.493 -2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 63 82.811 6.321 -1.273 1.00 0.00 H new ATOM 1011 N ALA A 64 86.092 2.803 -1.652 1.00 0.00 N ATOM 1012 CA ALA A 64 86.570 1.873 -2.709 1.00 0.00 C ATOM 1013 C ALA A 64 85.832 0.543 -2.594 1.00 0.00 C ATOM 1014 O ALA A 64 85.424 -0.041 -3.578 1.00 0.00 O ATOM 1015 CB ALA A 64 88.064 1.690 -2.438 1.00 0.00 C ATOM 0 H ALA A 64 86.800 3.097 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 64 86.391 2.255 -3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.488 1.014 -3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.566 2.656 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.204 1.270 -1.442 1.00 0.00 H new ATOM 1021 N ASP A 65 85.640 0.068 -1.395 1.00 0.00 N ATOM 1022 CA ASP A 65 84.906 -1.213 -1.219 1.00 0.00 C ATOM 1023 C ASP A 65 83.442 -0.994 -1.590 1.00 0.00 C ATOM 1024 O ASP A 65 82.888 -1.679 -2.429 1.00 0.00 O ATOM 1025 CB ASP A 65 85.045 -1.556 0.265 1.00 0.00 C ATOM 1026 CG ASP A 65 86.366 -2.294 0.497 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.197 -2.274 -0.396 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.522 -2.865 1.563 1.00 0.00 O ATOM 0 H ASP A 65 85.959 0.511 -0.533 1.00 0.00 H new ATOM 0 HA ASP A 65 85.292 -2.017 -1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.015 -0.646 0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.208 -2.177 0.586 1.00 0.00 H new ATOM 1033 N ALA A 66 82.819 -0.022 -0.981 1.00 0.00 N ATOM 1034 CA ALA A 66 81.395 0.264 -1.309 1.00 0.00 C ATOM 1035 C ALA A 66 81.268 0.612 -2.796 1.00 0.00 C ATOM 1036 O ALA A 66 80.254 0.361 -3.417 1.00 0.00 O ATOM 1037 CB ALA A 66 81.022 1.466 -0.441 1.00 0.00 C ATOM 0 H ALA A 66 83.234 0.584 -0.273 1.00 0.00 H new ATOM 0 HA ALA A 66 80.742 -0.588 -1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.983 1.740 -0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.148 1.209 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.668 2.308 -0.689 1.00 0.00 H new ATOM 1043 N GLU A 67 82.291 1.187 -3.372 1.00 0.00 N ATOM 1044 CA GLU A 67 82.228 1.546 -4.816 1.00 0.00 C ATOM 1045 C GLU A 67 82.353 0.288 -5.676 1.00 0.00 C ATOM 1046 O GLU A 67 81.536 0.026 -6.538 1.00 0.00 O ATOM 1047 CB GLU A 67 83.419 2.475 -5.052 1.00 0.00 C ATOM 1048 CG GLU A 67 83.036 3.906 -4.667 1.00 0.00 C ATOM 1049 CD GLU A 67 84.243 4.827 -4.857 1.00 0.00 C ATOM 1050 OE1 GLU A 67 85.355 4.357 -4.679 1.00 0.00 O ATOM 1051 OE2 GLU A 67 84.035 5.985 -5.177 1.00 0.00 O ATOM 0 H GLU A 67 83.166 1.423 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 67 81.284 2.023 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 67 84.274 2.145 -4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 67 83.721 2.437 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 67 82.204 4.249 -5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.701 3.938 -3.630 1.00 0.00 H new ATOM 1058 N LYS A 68 83.368 -0.500 -5.443 1.00 0.00 N ATOM 1059 CA LYS A 68 83.540 -1.743 -6.242 1.00 0.00 C ATOM 1060 C LYS A 68 82.306 -2.626 -6.080 1.00 0.00 C ATOM 1061 O LYS A 68 81.863 -3.274 -7.007 1.00 0.00 O ATOM 1062 CB LYS A 68 84.774 -2.428 -5.654 1.00 0.00 C ATOM 1063 CG LYS A 68 84.996 -3.771 -6.353 1.00 0.00 C ATOM 1064 CD LYS A 68 85.571 -3.529 -7.750 1.00 0.00 C ATOM 1065 CE LYS A 68 85.692 -4.864 -8.490 1.00 0.00 C ATOM 1066 NZ LYS A 68 86.353 -5.783 -7.521 1.00 0.00 N ATOM 0 H LYS A 68 84.083 -0.335 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 68 83.661 -1.545 -7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 68 85.650 -1.792 -5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.642 -2.581 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 68 85.678 -4.389 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 68 84.055 -4.316 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 68 84.927 -2.849 -8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.548 -3.052 -7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 68 84.713 -5.241 -8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 68 86.283 -4.759 -9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 86.817 -6.557 -8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.064 -5.257 -6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 85.640 -6.177 -6.874 1.00 0.00 H new ATOM 1080 N ASN A 69 81.741 -2.648 -4.905 1.00 0.00 N ATOM 1081 CA ASN A 69 80.529 -3.479 -4.679 1.00 0.00 C ATOM 1082 C ASN A 69 79.302 -2.771 -5.259 1.00 0.00 C ATOM 1083 O ASN A 69 78.441 -3.384 -5.858 1.00 0.00 O ATOM 1084 CB ASN A 69 80.419 -3.600 -3.161 1.00 0.00 C ATOM 1085 CG ASN A 69 81.034 -4.926 -2.709 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.470 -5.622 -1.890 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.176 -5.306 -3.214 1.00 0.00 N ATOM 0 H ASN A 69 82.067 -2.126 -4.092 1.00 0.00 H new ATOM 0 HA ASN A 69 80.590 -4.456 -5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 69 80.932 -2.767 -2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.374 -3.549 -2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.595 -6.188 -2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 69 82.649 -4.721 -3.902 1.00 0.00 H new ATOM 1094 N LEU A 70 79.222 -1.480 -5.092 1.00 0.00 N ATOM 1095 CA LEU A 70 78.058 -0.727 -5.636 1.00 0.00 C ATOM 1096 C LEU A 70 78.158 -0.633 -7.160 1.00 0.00 C ATOM 1097 O LEU A 70 77.196 -0.330 -7.838 1.00 0.00 O ATOM 1098 CB LEU A 70 78.157 0.662 -5.004 1.00 0.00 C ATOM 1099 CG LEU A 70 76.947 1.501 -5.417 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.213 1.989 -4.167 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.419 2.707 -6.232 1.00 0.00 C ATOM 0 H LEU A 70 79.914 -0.913 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 70 77.108 -1.211 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.199 0.576 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.077 1.152 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 70 76.273 0.893 -6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.351 2.587 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 70 75.878 1.131 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 70 76.887 2.597 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 70 76.558 3.306 -6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.093 3.314 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 70 77.943 2.361 -7.123 1.00 0.00 H new ATOM 1113 N GLU A 71 79.317 -0.887 -7.705 1.00 0.00 N ATOM 1114 CA GLU A 71 79.476 -0.809 -9.185 1.00 0.00 C ATOM 1115 C GLU A 71 79.648 -2.211 -9.778 1.00 0.00 C ATOM 1116 O GLU A 71 79.419 -2.430 -10.951 1.00 0.00 O ATOM 1117 CB GLU A 71 80.739 0.024 -9.404 1.00 0.00 C ATOM 1118 CG GLU A 71 80.489 1.460 -8.937 1.00 0.00 C ATOM 1119 CD GLU A 71 81.807 2.081 -8.471 1.00 0.00 C ATOM 1120 OE1 GLU A 71 82.836 1.729 -9.027 1.00 0.00 O ATOM 1121 OE2 GLU A 71 81.767 2.898 -7.566 1.00 0.00 O ATOM 0 H GLU A 71 80.159 -1.145 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 71 78.605 -0.367 -9.669 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.574 -0.409 -8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.015 0.016 -10.458 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.064 2.049 -9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 71 79.763 1.468 -8.124 1.00 0.00 H new ATOM 1128 N GLU A 72 80.057 -3.160 -8.980 1.00 0.00 N ATOM 1129 CA GLU A 72 80.249 -4.534 -9.499 1.00 0.00 C ATOM 1130 C GLU A 72 79.180 -5.481 -8.942 1.00 0.00 C ATOM 1131 O GLU A 72 79.067 -6.616 -9.363 1.00 0.00 O ATOM 1132 CB GLU A 72 81.640 -4.950 -9.019 1.00 0.00 C ATOM 1133 CG GLU A 72 82.255 -5.929 -10.019 1.00 0.00 C ATOM 1134 CD GLU A 72 83.088 -6.971 -9.270 1.00 0.00 C ATOM 1135 OE1 GLU A 72 82.564 -7.562 -8.340 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.236 -7.158 -9.638 1.00 0.00 O ATOM 0 H GLU A 72 80.266 -3.037 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 72 80.162 -4.574 -10.585 1.00 0.00 H new ATOM 0 HB2 GLU A 72 82.278 -4.072 -8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.573 -5.414 -8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 72 81.469 -6.421 -10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 72 82.881 -5.392 -10.731 1.00 0.00 H new ATOM 1143 N LYS A 73 78.398 -5.031 -7.998 1.00 0.00 N ATOM 1144 CA LYS A 73 77.347 -5.920 -7.422 1.00 0.00 C ATOM 1145 C LYS A 73 75.950 -5.362 -7.715 1.00 0.00 C ATOM 1146 O LYS A 73 74.975 -6.085 -7.719 1.00 0.00 O ATOM 1147 CB LYS A 73 77.620 -5.932 -5.919 1.00 0.00 C ATOM 1148 CG LYS A 73 77.650 -7.376 -5.417 1.00 0.00 C ATOM 1149 CD LYS A 73 78.836 -8.111 -6.047 1.00 0.00 C ATOM 1150 CE LYS A 73 80.143 -7.569 -5.461 1.00 0.00 C ATOM 1151 NZ LYS A 73 80.663 -8.669 -4.601 1.00 0.00 N ATOM 0 H LYS A 73 78.440 -4.092 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 73 77.377 -6.922 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.571 -5.443 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 73 76.848 -5.369 -5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.734 -7.393 -4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 73 76.718 -7.881 -5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 73 78.756 -9.181 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.827 -7.977 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.853 -7.314 -6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.970 -6.662 -4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 81.493 -8.333 -4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 79.923 -8.967 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 80.936 -9.476 -5.197 1.00 0.00 H new ATOM 1165 N GLN A 74 75.847 -4.082 -7.955 1.00 0.00 N ATOM 1166 CA GLN A 74 74.517 -3.473 -8.247 1.00 0.00 C ATOM 1167 C GLN A 74 73.727 -4.354 -9.217 1.00 0.00 C ATOM 1168 O GLN A 74 73.831 -4.219 -10.420 1.00 0.00 O ATOM 1169 CB GLN A 74 74.831 -2.122 -8.888 1.00 0.00 C ATOM 1170 CG GLN A 74 74.288 -1.001 -8.002 1.00 0.00 C ATOM 1171 CD GLN A 74 73.337 -0.117 -8.810 1.00 0.00 C ATOM 1172 OE1 GLN A 74 72.149 -0.363 -8.851 1.00 0.00 O ATOM 1173 NE2 GLN A 74 73.815 0.911 -9.455 1.00 0.00 N ATOM 0 H GLN A 74 76.631 -3.429 -7.961 1.00 0.00 H new ATOM 0 HA GLN A 74 73.909 -3.368 -7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 74 75.908 -2.010 -9.017 1.00 0.00 H new ATOM 0 HB3 GLN A 74 74.384 -2.065 -9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 74 73.765 -1.424 -7.144 1.00 0.00 H new ATOM 0 HG3 GLN A 74 75.111 -0.403 -7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 74 74.814 1.116 -9.419 1.00 0.00 H new ATOM 0 HE22 GLN A 74 73.190 1.510 -9.995 1.00 0.00 H new ATOM 1182 N GLY A 75 72.939 -5.250 -8.699 1.00 0.00 N ATOM 1183 CA GLY A 75 72.139 -6.141 -9.585 1.00 0.00 C ATOM 1184 C GLY A 75 72.105 -7.554 -9.001 1.00 0.00 C ATOM 1185 O GLY A 75 71.067 -8.046 -8.608 1.00 0.00 O ATOM 0 H GLY A 75 72.813 -5.406 -7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.125 -5.754 -9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.573 -6.161 -10.585 1.00 0.00 H new ATOM 1189 N ALA A 76 73.234 -8.207 -8.939 1.00 0.00 N ATOM 1190 CA ALA A 76 73.270 -9.591 -8.379 1.00 0.00 C ATOM 1191 C ALA A 76 72.040 -10.384 -8.833 1.00 0.00 C ATOM 1192 O ALA A 76 71.000 -10.345 -8.204 1.00 0.00 O ATOM 1193 CB ALA A 76 73.259 -9.405 -6.861 1.00 0.00 C ATOM 0 H ALA A 76 74.134 -7.843 -9.252 1.00 0.00 H new ATOM 0 HA ALA A 76 74.145 -10.148 -8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 76 73.284 -10.380 -6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 76 74.132 -8.826 -6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 76 72.353 -8.876 -6.566 1.00 0.00 H new ATOM 1199 N GLU A 77 72.146 -11.102 -9.917 1.00 0.00 N ATOM 1200 CA GLU A 77 70.981 -11.894 -10.406 1.00 0.00 C ATOM 1201 C GLU A 77 70.501 -12.854 -9.313 1.00 0.00 C ATOM 1202 O GLU A 77 70.932 -13.988 -9.238 1.00 0.00 O ATOM 1203 CB GLU A 77 71.510 -12.674 -11.610 1.00 0.00 C ATOM 1204 CG GLU A 77 70.465 -12.661 -12.728 1.00 0.00 C ATOM 1205 CD GLU A 77 70.549 -13.968 -13.519 1.00 0.00 C ATOM 1206 OE1 GLU A 77 70.089 -14.976 -13.010 1.00 0.00 O ATOM 1207 OE2 GLU A 77 71.073 -13.937 -14.621 1.00 0.00 O ATOM 0 H GLU A 77 72.989 -11.175 -10.486 1.00 0.00 H new ATOM 0 HA GLU A 77 70.133 -11.263 -10.671 1.00 0.00 H new ATOM 0 HB2 GLU A 77 72.441 -12.230 -11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 77 71.736 -13.700 -11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 77 69.467 -12.542 -12.306 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.635 -11.811 -13.389 1.00 0.00 H new ATOM 1214 N ILE A 78 69.613 -12.410 -8.463 1.00 0.00 N ATOM 1215 CA ILE A 78 69.110 -13.300 -7.376 1.00 0.00 C ATOM 1216 C ILE A 78 67.597 -13.151 -7.241 1.00 0.00 C ATOM 1217 O ILE A 78 66.986 -12.340 -7.905 1.00 0.00 O ATOM 1218 CB ILE A 78 69.791 -12.819 -6.094 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.288 -12.607 -6.333 1.00 0.00 C ATOM 1220 CG2 ILE A 78 69.600 -13.868 -4.997 1.00 0.00 C ATOM 1221 CD1 ILE A 78 71.831 -11.640 -5.282 1.00 0.00 C ATOM 0 H ILE A 78 69.215 -11.471 -8.474 1.00 0.00 H new ATOM 0 HA ILE A 78 69.327 -14.348 -7.582 1.00 0.00 H new ATOM 0 HB ILE A 78 69.343 -11.873 -5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 78 71.816 -13.559 -6.276 1.00 0.00 H new ATOM 0 HG13 ILE A 78 71.456 -12.208 -7.333 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.084 -13.529 -4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.535 -14.012 -4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.044 -14.811 -5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 78 72.897 -11.485 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.309 -10.686 -5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 78 71.675 -12.058 -4.288 1.00 0.00 H new ATOM 1233 N ASP A 79 66.992 -13.921 -6.377 1.00 0.00 N ATOM 1234 CA ASP A 79 65.518 -13.817 -6.192 1.00 0.00 C ATOM 1235 C ASP A 79 64.833 -13.647 -7.549 1.00 0.00 C ATOM 1236 O ASP A 79 63.807 -13.005 -7.664 1.00 0.00 O ATOM 1237 CB ASP A 79 65.315 -12.574 -5.326 1.00 0.00 C ATOM 1238 CG ASP A 79 65.686 -12.896 -3.877 1.00 0.00 C ATOM 1239 OD1 ASP A 79 66.870 -12.939 -3.586 1.00 0.00 O ATOM 1240 OD2 ASP A 79 64.781 -13.094 -3.085 1.00 0.00 O ATOM 0 H ASP A 79 67.455 -14.617 -5.792 1.00 0.00 H new ATOM 0 HA ASP A 79 65.092 -14.707 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 79 65.931 -11.755 -5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 79 64.278 -12.244 -5.382 1.00 0.00 H new ATOM 1245 N GLY A 80 65.400 -14.211 -8.579 1.00 0.00 N ATOM 1246 CA GLY A 80 64.795 -14.080 -9.927 1.00 0.00 C ATOM 1247 C GLY A 80 64.743 -12.602 -10.317 1.00 0.00 C ATOM 1248 O GLY A 80 63.834 -12.158 -10.990 1.00 0.00 O ATOM 0 H GLY A 80 66.260 -14.759 -8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 80 65.380 -14.640 -10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 80 63.791 -14.504 -9.930 1.00 0.00 H new ATOM 1252 N ARG A 81 65.714 -11.832 -9.900 1.00 0.00 N ATOM 1253 CA ARG A 81 65.715 -10.384 -10.249 1.00 0.00 C ATOM 1254 C ARG A 81 67.043 -9.740 -9.839 1.00 0.00 C ATOM 1255 O ARG A 81 67.821 -10.312 -9.099 1.00 0.00 O ATOM 1256 CB ARG A 81 64.558 -9.782 -9.452 1.00 0.00 C ATOM 1257 CG ARG A 81 64.798 -9.999 -7.956 1.00 0.00 C ATOM 1258 CD ARG A 81 64.551 -8.690 -7.203 1.00 0.00 C ATOM 1259 NE ARG A 81 63.243 -8.194 -7.714 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.143 -8.469 -7.068 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.519 -9.593 -7.291 1.00 0.00 N ATOM 1262 NH2 ARG A 81 61.665 -7.619 -6.199 1.00 0.00 N ATOM 0 H ARG A 81 66.504 -12.144 -9.334 1.00 0.00 H new ATOM 0 HA ARG A 81 65.601 -10.219 -11.320 1.00 0.00 H new ATOM 0 HB2 ARG A 81 64.471 -8.717 -9.666 1.00 0.00 H new ATOM 0 HB3 ARG A 81 63.617 -10.245 -9.751 1.00 0.00 H new ATOM 0 HG2 ARG A 81 64.135 -10.778 -7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 81 65.819 -10.341 -7.787 1.00 0.00 H new ATOM 0 HD2 ARG A 81 64.518 -8.854 -6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 81 65.347 -7.970 -7.391 1.00 0.00 H new ATOM 0 HE ARG A 81 63.207 -7.639 -8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 81 61.891 -10.257 -7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.659 -9.808 -6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 81 62.152 -6.740 -6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 81 60.805 -7.835 -5.694 1.00 0.00 H new ATOM 1276 N SER A 82 67.308 -8.555 -10.319 1.00 0.00 N ATOM 1277 CA SER A 82 68.579 -7.872 -9.966 1.00 0.00 C ATOM 1278 C SER A 82 68.329 -6.797 -8.904 1.00 0.00 C ATOM 1279 O SER A 82 67.391 -6.032 -8.991 1.00 0.00 O ATOM 1280 CB SER A 82 69.042 -7.234 -11.271 1.00 0.00 C ATOM 1281 OG SER A 82 67.918 -6.683 -11.947 1.00 0.00 O ATOM 0 H SER A 82 66.694 -8.031 -10.943 1.00 0.00 H new ATOM 0 HA SER A 82 69.320 -8.556 -9.552 1.00 0.00 H new ATOM 0 HB2 SER A 82 69.777 -6.455 -11.068 1.00 0.00 H new ATOM 0 HB3 SER A 82 69.531 -7.978 -11.900 1.00 0.00 H new ATOM 0 HG SER A 82 68.211 -6.270 -12.786 1.00 0.00 H new ATOM 1287 N VAL A 83 69.166 -6.733 -7.905 1.00 0.00 N ATOM 1288 CA VAL A 83 68.981 -5.705 -6.843 1.00 0.00 C ATOM 1289 C VAL A 83 69.770 -4.442 -7.194 1.00 0.00 C ATOM 1290 O VAL A 83 70.805 -4.502 -7.827 1.00 0.00 O ATOM 1291 CB VAL A 83 69.525 -6.351 -5.566 1.00 0.00 C ATOM 1292 CG1 VAL A 83 69.788 -5.271 -4.515 1.00 0.00 C ATOM 1293 CG2 VAL A 83 68.496 -7.346 -5.026 1.00 0.00 C ATOM 0 H VAL A 83 69.970 -7.348 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 83 67.939 -5.405 -6.730 1.00 0.00 H new ATOM 0 HB VAL A 83 70.457 -6.871 -5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 83 70.175 -5.733 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 83 70.519 -4.559 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 83 68.858 -4.750 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 83 68.879 -7.808 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 83 67.566 -6.823 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 83 68.308 -8.117 -5.773 1.00 0.00 H new ATOM 1303 N SER A 84 69.290 -3.298 -6.791 1.00 0.00 N ATOM 1304 CA SER A 84 70.015 -2.035 -7.108 1.00 0.00 C ATOM 1305 C SER A 84 70.683 -1.484 -5.848 1.00 0.00 C ATOM 1306 O SER A 84 70.270 -1.766 -4.742 1.00 0.00 O ATOM 1307 CB SER A 84 68.937 -1.074 -7.607 1.00 0.00 C ATOM 1308 OG SER A 84 68.064 -1.765 -8.491 1.00 0.00 O ATOM 0 H SER A 84 68.429 -3.183 -6.257 1.00 0.00 H new ATOM 0 HA SER A 84 70.802 -2.183 -7.848 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.375 -0.670 -6.765 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.396 -0.228 -8.119 1.00 0.00 H new ATOM 0 HG SER A 84 67.370 -1.152 -8.811 1.00 0.00 H new ATOM 1314 N LEU A 85 71.710 -0.698 -6.005 1.00 0.00 N ATOM 1315 CA LEU A 85 72.397 -0.130 -4.811 1.00 0.00 C ATOM 1316 C LEU A 85 72.335 1.398 -4.846 1.00 0.00 C ATOM 1317 O LEU A 85 72.746 2.024 -5.803 1.00 0.00 O ATOM 1318 CB LEU A 85 73.844 -0.609 -4.912 1.00 0.00 C ATOM 1319 CG LEU A 85 73.874 -2.137 -4.951 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.254 -2.608 -5.415 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.591 -2.688 -3.552 1.00 0.00 C ATOM 0 H LEU A 85 72.103 -0.424 -6.905 1.00 0.00 H new ATOM 0 HA LEU A 85 71.930 -0.448 -3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.311 -0.203 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.419 -0.245 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 85 73.115 -2.498 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.276 -3.697 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.457 -2.215 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.014 -2.247 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 85 73.612 -3.777 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 85 74.351 -2.327 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 85 72.608 -2.352 -3.221 1.00 0.00 H new ATOM 1333 N TYR A 86 71.828 2.001 -3.809 1.00 0.00 N ATOM 1334 CA TYR A 86 71.745 3.486 -3.780 1.00 0.00 C ATOM 1335 C TYR A 86 72.821 4.043 -2.857 1.00 0.00 C ATOM 1336 O TYR A 86 72.634 4.158 -1.662 1.00 0.00 O ATOM 1337 CB TYR A 86 70.365 3.806 -3.223 1.00 0.00 C ATOM 1338 CG TYR A 86 69.367 3.894 -4.349 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.096 2.768 -5.132 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.711 5.104 -4.608 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.168 2.849 -6.176 1.00 0.00 C ATOM 1342 CE2 TYR A 86 67.784 5.186 -5.651 1.00 0.00 C ATOM 1343 CZ TYR A 86 67.511 4.059 -6.436 1.00 0.00 C ATOM 1344 OH TYR A 86 66.596 4.139 -7.466 1.00 0.00 O ATOM 0 H TYR A 86 71.467 1.529 -2.980 1.00 0.00 H new ATOM 0 HA TYR A 86 71.895 3.924 -4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.061 3.035 -2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.393 4.748 -2.676 1.00 0.00 H new ATOM 0 HD1 TYR A 86 69.603 1.836 -4.931 1.00 0.00 H new ATOM 0 HD2 TYR A 86 68.921 5.973 -4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 86 67.958 1.979 -6.781 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.278 6.119 -5.851 1.00 0.00 H new ATOM 0 HH TYR A 86 66.231 5.048 -7.510 1.00 0.00 H new ATOM 1354 N TYR A 87 73.946 4.386 -3.402 1.00 0.00 N ATOM 1355 CA TYR A 87 75.042 4.936 -2.573 1.00 0.00 C ATOM 1356 C TYR A 87 74.521 6.095 -1.721 1.00 0.00 C ATOM 1357 O TYR A 87 73.337 6.356 -1.659 1.00 0.00 O ATOM 1358 CB TYR A 87 76.073 5.438 -3.579 1.00 0.00 C ATOM 1359 CG TYR A 87 77.461 5.013 -3.159 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.739 4.735 -1.814 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.473 4.900 -4.120 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.027 4.343 -1.433 1.00 0.00 C ATOM 1363 CE2 TYR A 87 79.760 4.509 -3.738 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.038 4.231 -2.395 1.00 0.00 C ATOM 1365 OH TYR A 87 81.308 3.845 -2.020 1.00 0.00 O ATOM 0 H TYR A 87 74.155 4.308 -4.397 1.00 0.00 H new ATOM 0 HA TYR A 87 75.460 4.198 -1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 87 75.848 5.043 -4.570 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.023 6.525 -3.650 1.00 0.00 H new ATOM 0 HD1 TYR A 87 76.959 4.823 -1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.259 5.115 -5.157 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.241 4.127 -0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.540 4.422 -4.480 1.00 0.00 H new ATOM 0 HH TYR A 87 81.584 4.353 -1.229 1.00 0.00 H new ATOM 1375 N THR A 88 75.401 6.797 -1.074 1.00 0.00 N ATOM 1376 CA THR A 88 74.962 7.946 -0.230 1.00 0.00 C ATOM 1377 C THR A 88 76.102 8.953 -0.068 1.00 0.00 C ATOM 1378 O THR A 88 76.238 9.593 0.955 1.00 0.00 O ATOM 1379 CB THR A 88 74.592 7.332 1.121 1.00 0.00 C ATOM 1380 OG1 THR A 88 74.006 8.329 1.947 1.00 0.00 O ATOM 1381 CG2 THR A 88 75.850 6.784 1.794 1.00 0.00 C ATOM 0 H THR A 88 76.407 6.629 -1.090 1.00 0.00 H new ATOM 0 HA THR A 88 74.125 8.485 -0.674 1.00 0.00 H new ATOM 0 HB THR A 88 73.880 6.520 0.970 1.00 0.00 H new ATOM 0 HG1 THR A 88 74.563 9.135 1.931 1.00 0.00 H new ATOM 0 HG21 THR A 88 75.586 6.346 2.757 1.00 0.00 H new ATOM 0 HG22 THR A 88 76.299 6.020 1.159 1.00 0.00 H new ATOM 0 HG23 THR A 88 76.563 7.594 1.947 1.00 0.00 H new ATOM 1389 N GLY A 89 76.921 9.098 -1.072 1.00 0.00 N ATOM 1390 CA GLY A 89 78.051 10.064 -0.979 1.00 0.00 C ATOM 1391 C GLY A 89 77.860 11.194 -1.980 1.00 0.00 C ATOM 1392 O GLY A 89 78.663 12.099 -2.089 1.00 0.00 O ATOM 0 H GLY A 89 76.857 8.589 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 89 78.110 10.469 0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 89 78.994 9.552 -1.173 1.00 0.00 H new ATOM 1396 N GLU A 90 76.798 11.138 -2.703 1.00 0.00 N ATOM 1397 CA GLU A 90 76.513 12.194 -3.716 1.00 0.00 C ATOM 1398 C GLU A 90 77.781 12.522 -4.507 1.00 0.00 C ATOM 1399 O GLU A 90 78.220 13.655 -4.554 1.00 0.00 O ATOM 1400 CB GLU A 90 76.057 13.407 -2.905 1.00 0.00 C ATOM 1401 CG GLU A 90 75.261 14.355 -3.804 1.00 0.00 C ATOM 1402 CD GLU A 90 74.731 15.524 -2.972 1.00 0.00 C ATOM 1403 OE1 GLU A 90 74.172 15.269 -1.917 1.00 0.00 O ATOM 1404 OE2 GLU A 90 74.891 16.654 -3.403 1.00 0.00 O ATOM 0 H GLU A 90 76.097 10.399 -2.644 1.00 0.00 H new ATOM 0 HA GLU A 90 75.760 11.881 -4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 90 75.442 13.085 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 90 76.921 13.924 -2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 90 75.894 14.726 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 90 74.432 13.821 -4.270 1.00 0.00 H new ATOM 1411 N LYS A 91 78.376 11.540 -5.128 1.00 0.00 N ATOM 1412 CA LYS A 91 79.617 11.797 -5.914 1.00 0.00 C ATOM 1413 C LYS A 91 79.305 11.793 -7.412 1.00 0.00 C ATOM 1414 O LYS A 91 79.994 12.410 -8.201 1.00 0.00 O ATOM 1415 CB LYS A 91 80.557 10.645 -5.557 1.00 0.00 C ATOM 1416 CG LYS A 91 81.995 11.031 -5.907 1.00 0.00 C ATOM 1417 CD LYS A 91 82.339 12.372 -5.256 1.00 0.00 C ATOM 1418 CE LYS A 91 83.854 12.475 -5.064 1.00 0.00 C ATOM 1419 NZ LYS A 91 84.202 13.857 -5.498 1.00 0.00 N ATOM 0 H LYS A 91 78.057 10.571 -5.125 1.00 0.00 H new ATOM 0 HA LYS A 91 80.057 12.768 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 91 80.480 10.415 -4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 91 80.269 9.745 -6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 91 82.684 10.260 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 91 82.111 11.100 -6.989 1.00 0.00 H new ATOM 0 HD2 LYS A 91 81.985 13.192 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 91 81.833 12.461 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 91 84.133 12.305 -4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 91 84.380 11.729 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 85.226 14.005 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 83.931 13.987 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 83.692 14.545 -4.908 1.00 0.00 H new ATOM 1433 N GLY A 92 78.272 11.103 -7.813 1.00 0.00 N ATOM 1434 CA GLY A 92 77.919 11.062 -9.261 1.00 0.00 C ATOM 1435 C GLY A 92 78.019 12.470 -9.849 1.00 0.00 C ATOM 1436 O GLY A 92 77.933 13.456 -9.144 1.00 0.00 O ATOM 0 H GLY A 92 77.657 10.566 -7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 92 78.590 10.386 -9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 92 76.909 10.673 -9.389 1.00 0.00 H new ATOM 1440 N GLY A 93 78.203 12.574 -11.138 1.00 0.00 N ATOM 1441 CA GLY A 93 78.310 13.920 -11.769 1.00 0.00 C ATOM 1442 C GLY A 93 79.764 14.392 -11.724 1.00 0.00 C ATOM 1443 O GLY A 93 80.166 15.109 -10.830 1.00 0.00 O ATOM 0 H GLY A 93 78.284 11.786 -11.780 1.00 0.00 H new ATOM 0 HA2 GLY A 93 77.962 13.878 -12.801 1.00 0.00 H new ATOM 0 HA3 GLY A 93 77.670 14.630 -11.246 1.00 0.00 H new ATOM 1447 N THR A 94 80.556 13.996 -12.683 1.00 0.00 N ATOM 1448 CA THR A 94 81.985 14.424 -12.693 1.00 0.00 C ATOM 1449 C THR A 94 82.116 15.822 -13.303 1.00 0.00 C ATOM 1450 O THR A 94 81.873 16.021 -14.477 1.00 0.00 O ATOM 1451 CB THR A 94 82.701 13.390 -13.564 1.00 0.00 C ATOM 1452 OG1 THR A 94 81.928 12.199 -13.613 1.00 0.00 O ATOM 1453 CG2 THR A 94 84.077 13.084 -12.968 1.00 0.00 C ATOM 0 H THR A 94 80.277 13.396 -13.459 1.00 0.00 H new ATOM 0 HA THR A 94 82.407 14.476 -11.689 1.00 0.00 H new ATOM 0 HB THR A 94 82.824 13.785 -14.572 1.00 0.00 H new ATOM 0 HG1 THR A 94 82.384 11.536 -14.172 1.00 0.00 H new ATOM 0 HG21 THR A 94 84.587 12.347 -13.589 1.00 0.00 H new ATOM 0 HG22 THR A 94 84.669 13.999 -12.930 1.00 0.00 H new ATOM 0 HG23 THR A 94 83.957 12.688 -11.960 1.00 0.00 H new ATOM 1461 N ARG A 95 82.494 16.790 -12.511 1.00 0.00 N ATOM 1462 CA ARG A 95 82.640 18.176 -13.034 1.00 0.00 C ATOM 1463 C ARG A 95 83.265 18.162 -14.432 1.00 0.00 C ATOM 1464 O ARG A 95 84.337 17.630 -14.638 1.00 0.00 O ATOM 1465 CB ARG A 95 83.569 18.876 -12.040 1.00 0.00 C ATOM 1466 CG ARG A 95 82.741 19.477 -10.903 1.00 0.00 C ATOM 1467 CD ARG A 95 81.765 20.510 -11.472 1.00 0.00 C ATOM 1468 NE ARG A 95 80.413 19.995 -11.120 1.00 0.00 N ATOM 1469 CZ ARG A 95 80.106 19.767 -9.872 1.00 0.00 C ATOM 1470 NH1 ARG A 95 80.701 20.434 -8.921 1.00 0.00 N ATOM 1471 NH2 ARG A 95 79.204 18.871 -9.575 1.00 0.00 N ATOM 0 H ARG A 95 82.708 16.678 -11.520 1.00 0.00 H new ATOM 0 HA ARG A 95 81.679 18.682 -13.126 1.00 0.00 H new ATOM 0 HB2 ARG A 95 84.293 18.166 -11.641 1.00 0.00 H new ATOM 0 HB3 ARG A 95 84.135 19.659 -12.545 1.00 0.00 H new ATOM 0 HG2 ARG A 95 82.193 18.691 -10.383 1.00 0.00 H new ATOM 0 HG3 ARG A 95 83.397 19.946 -10.170 1.00 0.00 H new ATOM 0 HD2 ARG A 95 81.937 21.496 -11.040 1.00 0.00 H new ATOM 0 HD3 ARG A 95 81.881 20.610 -12.551 1.00 0.00 H new ATOM 0 HE ARG A 95 79.727 19.820 -11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 95 81.406 21.134 -9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 95 80.461 20.256 -7.946 1.00 0.00 H new ATOM 0 HH21 ARG A 95 78.739 18.349 -10.318 1.00 0.00 H new ATOM 0 HH22 ARG A 95 78.964 18.693 -8.600 1.00 0.00 H new ATOM 1485 N GLY A 96 82.601 18.744 -15.394 1.00 0.00 N ATOM 1486 CA GLY A 96 83.158 18.763 -16.777 1.00 0.00 C ATOM 1487 C GLY A 96 82.242 17.968 -17.709 1.00 0.00 C ATOM 1488 O GLY A 96 81.102 17.744 -17.337 1.00 0.00 O ATOM 1489 OXT GLY A 96 82.697 17.596 -18.778 1.00 0.00 O ATOM 0 H GLY A 96 81.699 19.206 -15.282 1.00 0.00 H new ATOM 0 HA2 GLY A 96 83.249 19.790 -17.129 1.00 0.00 H new ATOM 0 HA3 GLY A 96 84.160 18.334 -16.782 1.00 0.00 H new TER 1493 GLY A 96