USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 671 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 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 16 GLN : amide:sc= -4.25! C(o=-7.8!,f=-15!) USER MOD Set 1.3: A 60 CYS SG : rot -170:sc= -3.59 USER MOD Set 2.1: A 6 SER OG : rot -116:sc=0.000929 USER MOD Set 2.2: A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -169:sc= 0.00162 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.069 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.331! K(o=-0.33!,f=-1.4) USER MOD Single : A 26 SER OG : rot 26:sc= 1.11 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 170:sc= -0.574 USER MOD Single : A 32 MET CE :methyl 158:sc= 0 (180deg=-0.311) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.72 K(o=-1.7,f=-8.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-2.7!) USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= -0.0715 (180deg=-0.533) USER MOD Single : A 65 SER OG : rot -67:sc= 1.18 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 77 THR OG1 : rot 80:sc= 0.351 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.01) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.234 0.261 -5.626 1.00 0.00 N ATOM 2 CA GLY A 1 -36.984 0.697 -6.790 1.00 0.00 C ATOM 3 C GLY A 1 -37.948 1.823 -6.470 1.00 0.00 C ATOM 4 O GLY A 1 -37.537 2.892 -6.020 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.465 -0.372 -5.926 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.832 1.089 -5.142 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.867 -0.247 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.290 1.026 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.539 -0.148 -7.198 1.00 0.00 H new ATOM 8 N SER A 2 -39.234 1.583 -6.705 1.00 0.00 N ATOM 9 CA SER A 2 -40.259 2.587 -6.444 1.00 0.00 C ATOM 10 C SER A 2 -40.071 3.208 -5.064 1.00 0.00 C ATOM 11 O SER A 2 -40.144 4.427 -4.904 1.00 0.00 O ATOM 12 CB SER A 2 -41.652 1.964 -6.551 1.00 0.00 C ATOM 13 OG SER A 2 -41.869 1.021 -5.517 1.00 0.00 O ATOM 0 H SER A 2 -39.591 0.702 -7.076 1.00 0.00 H new ATOM 0 HA SER A 2 -40.163 3.373 -7.193 1.00 0.00 H new ATOM 0 HB2 SER A 2 -42.409 2.747 -6.499 1.00 0.00 H new ATOM 0 HB3 SER A 2 -41.763 1.478 -7.520 1.00 0.00 H new ATOM 0 HG SER A 2 -42.767 0.638 -5.606 1.00 0.00 H new ATOM 19 N SER A 3 -39.831 2.361 -4.068 1.00 0.00 N ATOM 20 CA SER A 3 -39.637 2.825 -2.699 1.00 0.00 C ATOM 21 C SER A 3 -38.512 3.853 -2.628 1.00 0.00 C ATOM 22 O SER A 3 -38.646 4.894 -1.986 1.00 0.00 O ATOM 23 CB SER A 3 -39.324 1.645 -1.778 1.00 0.00 C ATOM 24 OG SER A 3 -40.407 0.732 -1.733 1.00 0.00 O ATOM 0 H SER A 3 -39.766 1.350 -4.183 1.00 0.00 H new ATOM 0 HA SER A 3 -40.561 3.300 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 3 -38.428 1.134 -2.129 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.110 2.010 -0.774 1.00 0.00 H new ATOM 0 HG SER A 3 -40.181 -0.014 -1.139 1.00 0.00 H new ATOM 30 N GLY A 4 -37.401 3.552 -3.294 1.00 0.00 N ATOM 31 CA GLY A 4 -36.268 4.458 -3.295 1.00 0.00 C ATOM 32 C GLY A 4 -34.972 3.766 -3.666 1.00 0.00 C ATOM 33 O GLY A 4 -34.853 2.547 -3.542 1.00 0.00 O ATOM 0 H GLY A 4 -37.266 2.697 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -36.457 5.270 -3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -36.166 4.908 -2.308 1.00 0.00 H new ATOM 37 N SER A 5 -33.997 4.544 -4.125 1.00 0.00 N ATOM 38 CA SER A 5 -32.704 3.998 -4.521 1.00 0.00 C ATOM 39 C SER A 5 -31.590 4.534 -3.627 1.00 0.00 C ATOM 40 O SER A 5 -31.628 5.685 -3.192 1.00 0.00 O ATOM 41 CB SER A 5 -32.409 4.339 -5.983 1.00 0.00 C ATOM 42 OG SER A 5 -32.357 5.742 -6.178 1.00 0.00 O ATOM 0 H SER A 5 -34.078 5.555 -4.232 1.00 0.00 H new ATOM 0 HA SER A 5 -32.746 2.915 -4.409 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.460 3.892 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.179 3.908 -6.623 1.00 0.00 H new ATOM 0 HG SER A 5 -32.165 5.935 -7.120 1.00 0.00 H new ATOM 48 N SER A 6 -30.600 3.690 -3.356 1.00 0.00 N ATOM 49 CA SER A 6 -29.476 4.076 -2.510 1.00 0.00 C ATOM 50 C SER A 6 -28.161 3.556 -3.083 1.00 0.00 C ATOM 51 O SER A 6 -28.116 2.490 -3.695 1.00 0.00 O ATOM 52 CB SER A 6 -29.673 3.543 -1.089 1.00 0.00 C ATOM 53 OG SER A 6 -28.566 3.865 -0.266 1.00 0.00 O ATOM 0 H SER A 6 -30.553 2.734 -3.710 1.00 0.00 H new ATOM 0 HA SER A 6 -29.433 5.165 -2.479 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.583 3.965 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.806 2.462 -1.118 1.00 0.00 H new ATOM 0 HG SER A 6 -28.119 3.041 0.019 1.00 0.00 H new ATOM 59 N GLY A 7 -27.091 4.318 -2.878 1.00 0.00 N ATOM 60 CA GLY A 7 -25.790 3.920 -3.380 1.00 0.00 C ATOM 61 C GLY A 7 -25.179 2.790 -2.575 1.00 0.00 C ATOM 62 O GLY A 7 -24.775 1.769 -3.132 1.00 0.00 O ATOM 0 H GLY A 7 -27.103 5.204 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.885 3.611 -4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.119 4.779 -3.362 1.00 0.00 H new ATOM 66 N SER A 8 -25.110 2.972 -1.260 1.00 0.00 N ATOM 67 CA SER A 8 -24.539 1.962 -0.377 1.00 0.00 C ATOM 68 C SER A 8 -25.120 0.584 -0.681 1.00 0.00 C ATOM 69 O SER A 8 -24.438 -0.432 -0.546 1.00 0.00 O ATOM 70 CB SER A 8 -24.800 2.327 1.086 1.00 0.00 C ATOM 71 OG SER A 8 -26.181 2.543 1.319 1.00 0.00 O ATOM 0 H SER A 8 -25.443 3.810 -0.783 1.00 0.00 H new ATOM 0 HA SER A 8 -23.463 1.930 -0.550 1.00 0.00 H new ATOM 0 HB2 SER A 8 -24.439 1.528 1.733 1.00 0.00 H new ATOM 0 HB3 SER A 8 -24.239 3.225 1.346 1.00 0.00 H new ATOM 0 HG SER A 8 -26.322 2.773 2.261 1.00 0.00 H new ATOM 77 N SER A 9 -26.383 0.559 -1.092 1.00 0.00 N ATOM 78 CA SER A 9 -27.059 -0.693 -1.411 1.00 0.00 C ATOM 79 C SER A 9 -26.232 -1.522 -2.390 1.00 0.00 C ATOM 80 O SER A 9 -26.156 -2.744 -2.275 1.00 0.00 O ATOM 81 CB SER A 9 -28.442 -0.415 -2.002 1.00 0.00 C ATOM 82 OG SER A 9 -29.427 -0.347 -0.985 1.00 0.00 O ATOM 0 H SER A 9 -26.960 1.392 -1.212 1.00 0.00 H new ATOM 0 HA SER A 9 -27.174 -1.261 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 9 -28.422 0.523 -2.557 1.00 0.00 H new ATOM 0 HB3 SER A 9 -28.702 -1.200 -2.712 1.00 0.00 H new ATOM 0 HG SER A 9 -30.302 -0.167 -1.388 1.00 0.00 H new ATOM 88 N ALA A 10 -25.615 -0.845 -3.353 1.00 0.00 N ATOM 89 CA ALA A 10 -24.792 -1.517 -4.352 1.00 0.00 C ATOM 90 C ALA A 10 -23.734 -2.393 -3.691 1.00 0.00 C ATOM 91 O ALA A 10 -23.080 -1.979 -2.734 1.00 0.00 O ATOM 92 CB ALA A 10 -24.137 -0.495 -5.270 1.00 0.00 C ATOM 0 H ALA A 10 -25.669 0.168 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 10 -25.439 -2.161 -4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -23.526 -1.010 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -24.908 0.086 -5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -23.508 0.172 -4.681 1.00 0.00 H new ATOM 98 N SER A 11 -23.570 -3.607 -4.208 1.00 0.00 N ATOM 99 CA SER A 11 -22.594 -4.544 -3.665 1.00 0.00 C ATOM 100 C SER A 11 -21.251 -4.402 -4.376 1.00 0.00 C ATOM 101 O SER A 11 -21.107 -3.604 -5.303 1.00 0.00 O ATOM 102 CB SER A 11 -23.104 -5.980 -3.798 1.00 0.00 C ATOM 103 OG SER A 11 -24.418 -6.104 -3.282 1.00 0.00 O ATOM 0 H SER A 11 -24.101 -3.964 -5.002 1.00 0.00 H new ATOM 0 HA SER A 11 -22.454 -4.312 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.092 -6.278 -4.846 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.436 -6.657 -3.266 1.00 0.00 H new ATOM 0 HG SER A 11 -24.722 -7.030 -3.380 1.00 0.00 H new ATOM 109 N PHE A 12 -20.270 -5.182 -3.935 1.00 0.00 N ATOM 110 CA PHE A 12 -18.938 -5.144 -4.528 1.00 0.00 C ATOM 111 C PHE A 12 -18.896 -5.947 -5.825 1.00 0.00 C ATOM 112 O PHE A 12 -19.887 -6.561 -6.221 1.00 0.00 O ATOM 113 CB PHE A 12 -17.903 -5.691 -3.542 1.00 0.00 C ATOM 114 CG PHE A 12 -18.202 -7.085 -3.070 1.00 0.00 C ATOM 115 CD1 PHE A 12 -18.211 -8.145 -3.962 1.00 0.00 C ATOM 116 CD2 PHE A 12 -18.475 -7.335 -1.735 1.00 0.00 C ATOM 117 CE1 PHE A 12 -18.488 -9.429 -3.530 1.00 0.00 C ATOM 118 CE2 PHE A 12 -18.751 -8.616 -1.297 1.00 0.00 C ATOM 119 CZ PHE A 12 -18.757 -9.665 -2.196 1.00 0.00 C ATOM 0 H PHE A 12 -20.372 -5.848 -3.169 1.00 0.00 H new ATOM 0 HA PHE A 12 -18.699 -4.106 -4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.921 -5.679 -4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.849 -5.028 -2.679 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.999 -7.967 -5.006 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.472 -6.519 -1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -18.494 -10.247 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -18.962 -8.797 -0.253 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.972 -10.667 -1.856 1.00 0.00 H new ATOM 129 N THR A 13 -17.741 -5.937 -6.483 1.00 0.00 N ATOM 130 CA THR A 13 -17.569 -6.661 -7.736 1.00 0.00 C ATOM 131 C THR A 13 -16.666 -7.875 -7.549 1.00 0.00 C ATOM 132 O THR A 13 -16.153 -8.118 -6.457 1.00 0.00 O ATOM 133 CB THR A 13 -16.974 -5.756 -8.831 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.768 -5.144 -8.360 1.00 0.00 O ATOM 135 CG2 THR A 13 -17.968 -4.680 -9.242 1.00 0.00 C ATOM 0 H THR A 13 -16.911 -5.435 -6.169 1.00 0.00 H new ATOM 0 HA THR A 13 -18.559 -6.992 -8.048 1.00 0.00 H new ATOM 0 HB THR A 13 -16.751 -6.374 -9.701 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.396 -4.572 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.526 -4.053 -10.016 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.873 -5.149 -9.628 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.218 -4.066 -8.377 1.00 0.00 H new ATOM 143 N LYS A 14 -16.474 -8.634 -8.623 1.00 0.00 N ATOM 144 CA LYS A 14 -15.630 -9.822 -8.579 1.00 0.00 C ATOM 145 C LYS A 14 -14.195 -9.458 -8.212 1.00 0.00 C ATOM 146 O LYS A 14 -13.618 -10.027 -7.287 1.00 0.00 O ATOM 147 CB LYS A 14 -15.656 -10.541 -9.930 1.00 0.00 C ATOM 148 CG LYS A 14 -15.460 -12.044 -9.823 1.00 0.00 C ATOM 149 CD LYS A 14 -16.783 -12.766 -9.630 1.00 0.00 C ATOM 150 CE LYS A 14 -16.638 -14.263 -9.854 1.00 0.00 C ATOM 151 NZ LYS A 14 -17.818 -15.017 -9.344 1.00 0.00 N ATOM 0 H LYS A 14 -16.892 -8.447 -9.535 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.024 -10.488 -7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.609 -10.341 -10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.876 -10.126 -10.568 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.971 -12.413 -10.724 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.797 -12.267 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.156 -12.582 -8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.523 -12.363 -10.322 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.513 -14.461 -10.919 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.736 -14.619 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.681 -16.034 -9.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.923 -14.849 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.675 -14.695 -9.837 1.00 0.00 H new ATOM 165 N GLU A 15 -13.626 -8.504 -8.943 1.00 0.00 N ATOM 166 CA GLU A 15 -12.259 -8.064 -8.693 1.00 0.00 C ATOM 167 C GLU A 15 -12.000 -7.915 -7.197 1.00 0.00 C ATOM 168 O GLU A 15 -11.197 -8.648 -6.620 1.00 0.00 O ATOM 169 CB GLU A 15 -11.989 -6.735 -9.403 1.00 0.00 C ATOM 170 CG GLU A 15 -11.438 -6.897 -10.809 1.00 0.00 C ATOM 171 CD GLU A 15 -10.361 -7.961 -10.895 1.00 0.00 C ATOM 172 OE1 GLU A 15 -10.709 -9.138 -11.127 1.00 0.00 O ATOM 173 OE2 GLU A 15 -9.172 -7.618 -10.730 1.00 0.00 O ATOM 0 H GLU A 15 -14.091 -8.022 -9.712 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.583 -8.823 -9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.915 -6.162 -9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.283 -6.153 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.252 -7.154 -11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.030 -5.944 -11.147 1.00 0.00 H new ATOM 180 N GLN A 16 -12.686 -6.962 -6.575 1.00 0.00 N ATOM 181 CA GLN A 16 -12.530 -6.717 -5.146 1.00 0.00 C ATOM 182 C GLN A 16 -12.440 -8.029 -4.375 1.00 0.00 C ATOM 183 O GLN A 16 -11.403 -8.349 -3.794 1.00 0.00 O ATOM 184 CB GLN A 16 -13.698 -5.881 -4.620 1.00 0.00 C ATOM 185 CG GLN A 16 -13.882 -4.562 -5.353 1.00 0.00 C ATOM 186 CD GLN A 16 -15.087 -3.784 -4.861 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.219 -4.049 -5.265 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.848 -2.817 -3.983 1.00 0.00 N ATOM 0 H GLN A 16 -13.355 -6.347 -7.038 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.602 -6.165 -4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.616 -6.463 -4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.541 -5.679 -3.560 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.986 -3.954 -5.229 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.990 -4.756 -6.420 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.893 -2.632 -3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.619 -2.259 -3.616 1.00 0.00 H new ATOM 197 N ALA A 17 -13.533 -8.786 -4.374 1.00 0.00 N ATOM 198 CA ALA A 17 -13.576 -10.064 -3.676 1.00 0.00 C ATOM 199 C ALA A 17 -12.330 -10.893 -3.971 1.00 0.00 C ATOM 200 O ALA A 17 -11.710 -11.443 -3.061 1.00 0.00 O ATOM 201 CB ALA A 17 -14.829 -10.835 -4.064 1.00 0.00 C ATOM 0 H ALA A 17 -14.400 -8.535 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.602 -9.864 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.848 -11.788 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.711 -10.254 -3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.826 -11.017 -5.139 1.00 0.00 H new ATOM 207 N ASP A 18 -11.971 -10.979 -5.246 1.00 0.00 N ATOM 208 CA ASP A 18 -10.799 -11.742 -5.661 1.00 0.00 C ATOM 209 C ASP A 18 -9.528 -11.156 -5.053 1.00 0.00 C ATOM 210 O ASP A 18 -8.528 -11.855 -4.889 1.00 0.00 O ATOM 211 CB ASP A 18 -10.688 -11.759 -7.186 1.00 0.00 C ATOM 212 CG ASP A 18 -11.600 -12.792 -7.820 1.00 0.00 C ATOM 213 OD1 ASP A 18 -11.995 -13.745 -7.118 1.00 0.00 O ATOM 214 OD2 ASP A 18 -11.918 -12.646 -9.020 1.00 0.00 O ATOM 0 H ASP A 18 -12.474 -10.530 -6.011 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.916 -12.765 -5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.935 -10.772 -7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.656 -11.966 -7.470 1.00 0.00 H new ATOM 219 N ALA A 19 -9.574 -9.870 -4.723 1.00 0.00 N ATOM 220 CA ALA A 19 -8.427 -9.191 -4.133 1.00 0.00 C ATOM 221 C ALA A 19 -8.235 -9.601 -2.677 1.00 0.00 C ATOM 222 O ALA A 19 -7.119 -9.897 -2.248 1.00 0.00 O ATOM 223 CB ALA A 19 -8.593 -7.682 -4.241 1.00 0.00 C ATOM 0 H ALA A 19 -10.393 -9.277 -4.854 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.537 -9.488 -4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.729 -7.188 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.672 -7.399 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.497 -7.377 -3.714 1.00 0.00 H new ATOM 229 N ILE A 20 -9.328 -9.616 -1.923 1.00 0.00 N ATOM 230 CA ILE A 20 -9.280 -9.991 -0.515 1.00 0.00 C ATOM 231 C ILE A 20 -8.881 -11.453 -0.349 1.00 0.00 C ATOM 232 O ILE A 20 -7.949 -11.773 0.390 1.00 0.00 O ATOM 233 CB ILE A 20 -10.636 -9.758 0.177 1.00 0.00 C ATOM 234 CG1 ILE A 20 -10.993 -8.270 0.160 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.599 -10.283 1.604 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.824 -7.862 -1.037 1.00 0.00 C ATOM 0 H ILE A 20 -10.258 -9.373 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.529 -9.356 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.405 -10.303 -0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.538 -8.025 1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.074 -7.684 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.564 -10.111 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.385 -11.352 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.821 -9.763 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.040 -6.795 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.272 -8.075 -1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.759 -8.422 -1.038 1.00 0.00 H new ATOM 248 N ARG A 21 -9.592 -12.337 -1.041 1.00 0.00 N ATOM 249 CA ARG A 21 -9.312 -13.766 -0.971 1.00 0.00 C ATOM 250 C ARG A 21 -7.820 -14.037 -1.147 1.00 0.00 C ATOM 251 O ARG A 21 -7.273 -14.963 -0.548 1.00 0.00 O ATOM 252 CB ARG A 21 -10.107 -14.516 -2.041 1.00 0.00 C ATOM 253 CG ARG A 21 -9.402 -14.586 -3.386 1.00 0.00 C ATOM 254 CD ARG A 21 -10.300 -15.191 -4.455 1.00 0.00 C ATOM 255 NE ARG A 21 -9.636 -15.256 -5.754 1.00 0.00 N ATOM 256 CZ ARG A 21 -8.838 -16.252 -6.122 1.00 0.00 C ATOM 257 NH1 ARG A 21 -8.605 -17.260 -5.294 1.00 0.00 N ATOM 258 NH2 ARG A 21 -8.271 -16.240 -7.322 1.00 0.00 N ATOM 0 H ARG A 21 -10.366 -12.089 -1.657 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.615 -14.122 0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.305 -15.529 -1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.073 -14.029 -2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.096 -13.585 -3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.494 -15.182 -3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.601 -16.194 -4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.210 -14.598 -4.542 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.794 -14.495 -6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.039 -17.273 -4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.992 -18.023 -5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.448 -15.466 -7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.658 -17.005 -7.604 1.00 0.00 H new ATOM 272 N ARG A 22 -7.169 -13.223 -1.972 1.00 0.00 N ATOM 273 CA ARG A 22 -5.742 -13.377 -2.227 1.00 0.00 C ATOM 274 C ARG A 22 -4.921 -12.874 -1.043 1.00 0.00 C ATOM 275 O ARG A 22 -4.084 -13.598 -0.504 1.00 0.00 O ATOM 276 CB ARG A 22 -5.345 -12.619 -3.495 1.00 0.00 C ATOM 277 CG ARG A 22 -5.545 -13.420 -4.771 1.00 0.00 C ATOM 278 CD ARG A 22 -5.154 -12.616 -6.001 1.00 0.00 C ATOM 279 NE ARG A 22 -6.017 -11.454 -6.193 1.00 0.00 N ATOM 280 CZ ARG A 22 -5.846 -10.562 -7.162 1.00 0.00 C ATOM 281 NH1 ARG A 22 -4.848 -10.699 -8.024 1.00 0.00 N ATOM 282 NH2 ARG A 22 -6.674 -9.531 -7.272 1.00 0.00 N ATOM 0 H ARG A 22 -7.607 -12.451 -2.475 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.535 -14.438 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.929 -11.701 -3.557 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.298 -12.326 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.949 -14.332 -4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.589 -13.725 -4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.119 -12.287 -5.905 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.205 -13.255 -6.883 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.795 -11.320 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.210 -11.491 -7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.718 -10.013 -8.767 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.444 -9.422 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.541 -8.847 -8.017 1.00 0.00 H new ATOM 296 N ILE A 23 -5.166 -11.630 -0.645 1.00 0.00 N ATOM 297 CA ILE A 23 -4.450 -11.032 0.474 1.00 0.00 C ATOM 298 C ILE A 23 -4.331 -12.011 1.637 1.00 0.00 C ATOM 299 O ILE A 23 -3.237 -12.256 2.146 1.00 0.00 O ATOM 300 CB ILE A 23 -5.145 -9.749 0.966 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.086 -8.665 -0.112 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.502 -9.258 2.255 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.846 -7.408 0.253 1.00 0.00 C ATOM 0 H ILE A 23 -5.855 -11.017 -1.081 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.453 -10.779 0.112 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.192 -9.976 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.044 -8.408 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.489 -9.066 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.005 -8.351 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.592 -10.027 3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.448 -9.045 2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.761 -6.683 -0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.896 -7.651 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.429 -6.983 1.166 1.00 0.00 H new ATOM 315 N ARG A 24 -5.464 -12.568 2.052 1.00 0.00 N ATOM 316 CA ARG A 24 -5.487 -13.522 3.155 1.00 0.00 C ATOM 317 C ARG A 24 -4.781 -14.818 2.768 1.00 0.00 C ATOM 318 O ARG A 24 -4.228 -15.512 3.619 1.00 0.00 O ATOM 319 CB ARG A 24 -6.929 -13.818 3.570 1.00 0.00 C ATOM 320 CG ARG A 24 -7.768 -14.435 2.463 1.00 0.00 C ATOM 321 CD ARG A 24 -9.255 -14.269 2.732 1.00 0.00 C ATOM 322 NE ARG A 24 -10.049 -15.304 2.076 1.00 0.00 N ATOM 323 CZ ARG A 24 -11.296 -15.605 2.422 1.00 0.00 C ATOM 324 NH1 ARG A 24 -11.888 -14.951 3.412 1.00 0.00 N ATOM 325 NH2 ARG A 24 -11.953 -16.560 1.777 1.00 0.00 N ATOM 0 H ARG A 24 -6.378 -12.375 1.642 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.957 -13.078 3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.920 -14.492 4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.401 -12.892 3.898 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.515 -13.969 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.530 -15.495 2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.435 -14.301 3.807 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.579 -13.288 2.384 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.623 -15.825 1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.386 -14.215 3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.845 -15.183 3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.501 -17.064 1.014 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.910 -16.790 2.044 1.00 0.00 H new ATOM 339 N ASN A 25 -4.805 -15.137 1.478 1.00 0.00 N ATOM 340 CA ASN A 25 -4.169 -16.350 0.979 1.00 0.00 C ATOM 341 C ASN A 25 -2.775 -16.049 0.435 1.00 0.00 C ATOM 342 O ASN A 25 -2.169 -16.879 -0.242 1.00 0.00 O ATOM 343 CB ASN A 25 -5.028 -16.989 -0.114 1.00 0.00 C ATOM 344 CG ASN A 25 -6.255 -17.682 0.446 1.00 0.00 C ATOM 345 OD1 ASN A 25 -6.160 -18.476 1.382 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.415 -17.384 -0.127 1.00 0.00 N ATOM 0 H ASN A 25 -5.258 -14.572 0.760 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.073 -17.048 1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.339 -16.222 -0.823 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.428 -17.710 -0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.275 -17.819 0.206 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.446 -16.720 -0.900 1.00 0.00 H new ATOM 353 N SER A 26 -2.274 -14.855 0.736 1.00 0.00 N ATOM 354 CA SER A 26 -0.953 -14.442 0.275 1.00 0.00 C ATOM 355 C SER A 26 0.136 -14.974 1.202 1.00 0.00 C ATOM 356 O SER A 26 -0.139 -15.400 2.323 1.00 0.00 O ATOM 357 CB SER A 26 -0.871 -12.917 0.196 1.00 0.00 C ATOM 358 OG SER A 26 -1.733 -12.411 -0.809 1.00 0.00 O ATOM 0 H SER A 26 -2.762 -14.157 1.297 1.00 0.00 H new ATOM 0 HA SER A 26 -0.795 -14.859 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.139 -12.485 1.160 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.155 -12.615 -0.015 1.00 0.00 H new ATOM 0 HG SER A 26 -2.473 -13.038 -0.952 1.00 0.00 H new ATOM 364 N LYS A 27 1.376 -14.946 0.724 1.00 0.00 N ATOM 365 CA LYS A 27 2.509 -15.423 1.508 1.00 0.00 C ATOM 366 C LYS A 27 3.483 -14.287 1.803 1.00 0.00 C ATOM 367 O LYS A 27 4.402 -14.438 2.608 1.00 0.00 O ATOM 368 CB LYS A 27 3.232 -16.548 0.764 1.00 0.00 C ATOM 369 CG LYS A 27 2.305 -17.431 -0.054 1.00 0.00 C ATOM 370 CD LYS A 27 3.068 -18.220 -1.104 1.00 0.00 C ATOM 371 CE LYS A 27 3.238 -17.421 -2.387 1.00 0.00 C ATOM 372 NZ LYS A 27 4.169 -18.091 -3.338 1.00 0.00 N ATOM 0 H LYS A 27 1.621 -14.598 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 27 2.128 -15.807 2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.981 -16.112 0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.765 -17.166 1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.779 -18.119 0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.549 -16.814 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.048 -18.495 -0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.538 -19.148 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.267 -17.287 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.616 -16.427 -2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.258 -17.516 -4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.103 -18.196 -2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.796 -19.030 -3.586 1.00 0.00 H new ATOM 386 N ASP A 28 3.275 -13.150 1.148 1.00 0.00 N ATOM 387 CA ASP A 28 4.133 -11.987 1.343 1.00 0.00 C ATOM 388 C ASP A 28 3.474 -10.726 0.792 1.00 0.00 C ATOM 389 O ASP A 28 2.475 -10.799 0.076 1.00 0.00 O ATOM 390 CB ASP A 28 5.487 -12.207 0.666 1.00 0.00 C ATOM 391 CG ASP A 28 6.298 -13.299 1.335 1.00 0.00 C ATOM 392 OD1 ASP A 28 7.037 -12.987 2.293 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.195 -14.465 0.901 1.00 0.00 O ATOM 0 H ASP A 28 2.520 -13.009 0.477 1.00 0.00 H new ATOM 0 HA ASP A 28 4.287 -11.856 2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.329 -12.466 -0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.054 -11.276 0.682 1.00 0.00 H new ATOM 398 N SER A 29 4.038 -9.572 1.132 1.00 0.00 N ATOM 399 CA SER A 29 3.502 -8.295 0.676 1.00 0.00 C ATOM 400 C SER A 29 3.506 -8.218 -0.847 1.00 0.00 C ATOM 401 O SER A 29 2.609 -7.630 -1.452 1.00 0.00 O ATOM 402 CB SER A 29 4.317 -7.139 1.259 1.00 0.00 C ATOM 403 OG SER A 29 4.464 -7.275 2.662 1.00 0.00 O ATOM 0 H SER A 29 4.866 -9.495 1.722 1.00 0.00 H new ATOM 0 HA SER A 29 2.472 -8.216 1.024 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.300 -7.109 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.826 -6.193 1.032 1.00 0.00 H new ATOM 0 HG SER A 29 5.117 -6.621 2.987 1.00 0.00 H new ATOM 409 N TRP A 30 4.522 -8.814 -1.461 1.00 0.00 N ATOM 410 CA TRP A 30 4.644 -8.813 -2.914 1.00 0.00 C ATOM 411 C TRP A 30 3.369 -9.334 -3.568 1.00 0.00 C ATOM 412 O TRP A 30 2.932 -8.817 -4.596 1.00 0.00 O ATOM 413 CB TRP A 30 5.839 -9.664 -3.347 1.00 0.00 C ATOM 414 CG TRP A 30 7.043 -9.486 -2.473 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.728 -10.464 -1.811 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.703 -8.253 -2.165 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.774 -9.915 -1.110 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.781 -8.560 -1.311 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.491 -6.921 -2.529 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.640 -7.582 -0.817 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.344 -5.952 -2.037 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.408 -6.286 -1.189 1.00 0.00 C ATOM 0 H TRP A 30 5.273 -9.304 -0.975 1.00 0.00 H new ATOM 0 HA TRP A 30 4.803 -7.785 -3.239 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.548 -10.714 -3.343 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.103 -9.410 -4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.483 -11.516 -1.835 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.438 -10.432 -0.533 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.675 -6.653 -3.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.461 -7.837 -0.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.188 -4.919 -2.311 1.00 0.00 H new ATOM 0 HH2 TRP A 30 10.058 -5.505 -0.822 1.00 0.00 H new ATOM 433 N ASP A 31 2.777 -10.360 -2.965 1.00 0.00 N ATOM 434 CA ASP A 31 1.551 -10.950 -3.489 1.00 0.00 C ATOM 435 C ASP A 31 0.371 -9.999 -3.311 1.00 0.00 C ATOM 436 O ASP A 31 -0.409 -9.783 -4.237 1.00 0.00 O ATOM 437 CB ASP A 31 1.261 -12.279 -2.790 1.00 0.00 C ATOM 438 CG ASP A 31 0.529 -13.257 -3.688 1.00 0.00 C ATOM 439 OD1 ASP A 31 0.917 -13.385 -4.868 1.00 0.00 O ATOM 440 OD2 ASP A 31 -0.432 -13.896 -3.210 1.00 0.00 O ATOM 0 H ASP A 31 3.126 -10.800 -2.114 1.00 0.00 H new ATOM 0 HA ASP A 31 1.690 -11.131 -4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.199 -12.725 -2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.665 -12.094 -1.897 1.00 0.00 H new ATOM 445 N MET A 32 0.248 -9.436 -2.114 1.00 0.00 N ATOM 446 CA MET A 32 -0.837 -8.508 -1.814 1.00 0.00 C ATOM 447 C MET A 32 -0.823 -7.326 -2.778 1.00 0.00 C ATOM 448 O MET A 32 -1.741 -7.157 -3.582 1.00 0.00 O ATOM 449 CB MET A 32 -0.726 -8.008 -0.373 1.00 0.00 C ATOM 450 CG MET A 32 -1.259 -8.992 0.655 1.00 0.00 C ATOM 451 SD MET A 32 -0.994 -8.437 2.350 1.00 0.00 S ATOM 452 CE MET A 32 0.304 -9.555 2.873 1.00 0.00 C ATOM 0 H MET A 32 0.885 -9.606 -1.336 1.00 0.00 H new ATOM 0 HA MET A 32 -1.781 -9.040 -1.934 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.319 -7.794 -0.151 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.270 -7.068 -0.280 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.326 -9.143 0.489 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.774 -9.958 0.513 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.843 -9.119 3.714 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.135 -10.505 3.176 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.995 -9.722 2.047 1.00 0.00 H new ATOM 462 N LEU A 33 0.222 -6.511 -2.692 1.00 0.00 N ATOM 463 CA LEU A 33 0.355 -5.344 -3.557 1.00 0.00 C ATOM 464 C LEU A 33 0.566 -5.763 -5.009 1.00 0.00 C ATOM 465 O LEU A 33 0.208 -5.036 -5.934 1.00 0.00 O ATOM 466 CB LEU A 33 1.521 -4.470 -3.092 1.00 0.00 C ATOM 467 CG LEU A 33 1.537 -4.107 -1.607 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.793 -3.322 -1.262 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.292 -3.313 -1.239 1.00 0.00 C ATOM 0 H LEU A 33 0.990 -6.637 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.569 -4.769 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.452 -4.985 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.510 -3.547 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 33 1.540 -5.030 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.786 -3.073 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.672 -3.925 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.822 -2.405 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.320 -3.063 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.258 -2.396 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.595 -3.911 -1.448 1.00 0.00 H new ATOM 481 N GLY A 34 1.149 -6.943 -5.200 1.00 0.00 N ATOM 482 CA GLY A 34 1.396 -7.439 -6.541 1.00 0.00 C ATOM 483 C GLY A 34 2.603 -6.789 -7.187 1.00 0.00 C ATOM 484 O GLY A 34 2.577 -6.454 -8.372 1.00 0.00 O ATOM 0 H GLY A 34 1.454 -7.564 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.545 -8.518 -6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.516 -7.259 -7.159 1.00 0.00 H new ATOM 488 N VAL A 35 3.664 -6.607 -6.407 1.00 0.00 N ATOM 489 CA VAL A 35 4.886 -5.991 -6.910 1.00 0.00 C ATOM 490 C VAL A 35 6.112 -6.817 -6.535 1.00 0.00 C ATOM 491 O VAL A 35 6.189 -7.371 -5.439 1.00 0.00 O ATOM 492 CB VAL A 35 5.058 -4.560 -6.367 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.997 -3.638 -6.945 1.00 0.00 C ATOM 494 CG2 VAL A 35 5.007 -4.559 -4.846 1.00 0.00 C ATOM 0 H VAL A 35 3.702 -6.877 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 35 4.797 -5.951 -7.996 1.00 0.00 H new ATOM 0 HB VAL A 35 6.035 -4.187 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.135 -2.632 -6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.086 -3.617 -8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.008 -4.004 -6.669 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.130 -3.540 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.046 -4.951 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.809 -5.185 -4.455 1.00 0.00 H new ATOM 504 N LYS A 36 7.069 -6.894 -7.453 1.00 0.00 N ATOM 505 CA LYS A 36 8.294 -7.651 -7.220 1.00 0.00 C ATOM 506 C LYS A 36 8.949 -7.234 -5.907 1.00 0.00 C ATOM 507 O LYS A 36 8.793 -6.106 -5.438 1.00 0.00 O ATOM 508 CB LYS A 36 9.273 -7.445 -8.378 1.00 0.00 C ATOM 509 CG LYS A 36 9.969 -6.095 -8.354 1.00 0.00 C ATOM 510 CD LYS A 36 9.196 -5.055 -9.148 1.00 0.00 C ATOM 511 CE LYS A 36 9.289 -5.314 -10.644 1.00 0.00 C ATOM 512 NZ LYS A 36 10.464 -4.632 -11.253 1.00 0.00 N ATOM 0 H LYS A 36 7.020 -6.441 -8.366 1.00 0.00 H new ATOM 0 HA LYS A 36 8.033 -8.707 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.026 -8.233 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.735 -7.550 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.078 -5.759 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.974 -6.195 -8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.150 -5.064 -8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.585 -4.062 -8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.359 -6.387 -10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.376 -4.968 -11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.492 -4.833 -12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.385 -3.606 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.337 -4.980 -10.807 1.00 0.00 H new ATOM 526 N PRO A 37 9.700 -8.164 -5.298 1.00 0.00 N ATOM 527 CA PRO A 37 10.395 -7.915 -4.032 1.00 0.00 C ATOM 528 C PRO A 37 11.556 -6.940 -4.190 1.00 0.00 C ATOM 529 O PRO A 37 12.248 -6.621 -3.224 1.00 0.00 O ATOM 530 CB PRO A 37 10.911 -9.300 -3.633 1.00 0.00 C ATOM 531 CG PRO A 37 11.032 -10.044 -4.918 1.00 0.00 C ATOM 532 CD PRO A 37 9.929 -9.529 -5.800 1.00 0.00 C ATOM 0 HA PRO A 37 9.740 -7.459 -3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.872 -9.233 -3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.222 -9.798 -2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.007 -9.877 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.935 -11.118 -4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.222 -9.527 -6.850 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.031 -10.142 -5.720 1.00 0.00 H new ATOM 540 N GLY A 38 11.764 -6.468 -5.416 1.00 0.00 N ATOM 541 CA GLY A 38 12.843 -5.533 -5.677 1.00 0.00 C ATOM 542 C GLY A 38 12.338 -4.175 -6.123 1.00 0.00 C ATOM 543 O GLY A 38 13.053 -3.427 -6.789 1.00 0.00 O ATOM 0 H GLY A 38 11.205 -6.716 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.444 -5.416 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.498 -5.944 -6.445 1.00 0.00 H new ATOM 547 N ALA A 39 11.101 -3.856 -5.755 1.00 0.00 N ATOM 548 CA ALA A 39 10.501 -2.579 -6.121 1.00 0.00 C ATOM 549 C ALA A 39 11.013 -1.455 -5.227 1.00 0.00 C ATOM 550 O ALA A 39 11.804 -1.688 -4.313 1.00 0.00 O ATOM 551 CB ALA A 39 8.984 -2.667 -6.044 1.00 0.00 C ATOM 0 H ALA A 39 10.495 -4.464 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 39 10.789 -2.352 -7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.549 -1.706 -6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.629 -3.436 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.685 -2.922 -5.027 1.00 0.00 H new ATOM 557 N SER A 40 10.559 -0.235 -5.498 1.00 0.00 N ATOM 558 CA SER A 40 10.975 0.926 -4.720 1.00 0.00 C ATOM 559 C SER A 40 9.802 1.501 -3.932 1.00 0.00 C ATOM 560 O SER A 40 8.654 1.102 -4.127 1.00 0.00 O ATOM 561 CB SER A 40 11.562 1.998 -5.640 1.00 0.00 C ATOM 562 OG SER A 40 12.957 1.819 -5.807 1.00 0.00 O ATOM 0 H SER A 40 9.903 -0.025 -6.250 1.00 0.00 H new ATOM 0 HA SER A 40 11.741 0.605 -4.014 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.068 1.958 -6.611 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.366 2.986 -5.223 1.00 0.00 H new ATOM 0 HG SER A 40 13.307 2.516 -6.400 1.00 0.00 H new ATOM 568 N ARG A 41 10.100 2.440 -3.041 1.00 0.00 N ATOM 569 CA ARG A 41 9.072 3.071 -2.222 1.00 0.00 C ATOM 570 C ARG A 41 7.939 3.609 -3.091 1.00 0.00 C ATOM 571 O ARG A 41 6.764 3.484 -2.744 1.00 0.00 O ATOM 572 CB ARG A 41 9.675 4.205 -1.391 1.00 0.00 C ATOM 573 CG ARG A 41 8.695 5.328 -1.091 1.00 0.00 C ATOM 574 CD ARG A 41 8.823 6.462 -2.097 1.00 0.00 C ATOM 575 NE ARG A 41 7.899 7.555 -1.808 1.00 0.00 N ATOM 576 CZ ARG A 41 8.277 8.824 -1.689 1.00 0.00 C ATOM 577 NH1 ARG A 41 9.552 9.156 -1.833 1.00 0.00 N ATOM 578 NH2 ARG A 41 7.377 9.763 -1.425 1.00 0.00 N ATOM 0 H ARG A 41 11.045 2.781 -2.867 1.00 0.00 H new ATOM 0 HA ARG A 41 8.664 2.316 -1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.046 3.797 -0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.534 4.616 -1.922 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.677 4.938 -1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.874 5.710 -0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.845 6.840 -2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.631 6.081 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 41 6.910 7.333 -1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.246 8.437 -2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.839 10.131 -1.741 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.395 9.511 -1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.667 10.737 -1.334 1.00 0.00 H new ATOM 592 N ASP A 42 8.300 4.208 -4.220 1.00 0.00 N ATOM 593 CA ASP A 42 7.315 4.765 -5.139 1.00 0.00 C ATOM 594 C ASP A 42 6.426 3.666 -5.714 1.00 0.00 C ATOM 595 O ASP A 42 5.201 3.782 -5.712 1.00 0.00 O ATOM 596 CB ASP A 42 8.012 5.519 -6.272 1.00 0.00 C ATOM 597 CG ASP A 42 8.609 4.586 -7.307 1.00 0.00 C ATOM 598 OD1 ASP A 42 9.777 4.181 -7.136 1.00 0.00 O ATOM 599 OD2 ASP A 42 7.908 4.262 -8.289 1.00 0.00 O ATOM 0 H ASP A 42 9.268 4.320 -4.521 1.00 0.00 H new ATOM 0 HA ASP A 42 6.688 5.461 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.297 6.184 -6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.800 6.147 -5.856 1.00 0.00 H new ATOM 604 N GLU A 43 7.052 2.602 -6.206 1.00 0.00 N ATOM 605 CA GLU A 43 6.317 1.484 -6.785 1.00 0.00 C ATOM 606 C GLU A 43 5.371 0.865 -5.760 1.00 0.00 C ATOM 607 O GLU A 43 4.187 0.664 -6.033 1.00 0.00 O ATOM 608 CB GLU A 43 7.287 0.422 -7.307 1.00 0.00 C ATOM 609 CG GLU A 43 7.695 0.629 -8.756 1.00 0.00 C ATOM 610 CD GLU A 43 6.556 0.377 -9.724 1.00 0.00 C ATOM 611 OE1 GLU A 43 5.613 1.196 -9.756 1.00 0.00 O ATOM 612 OE2 GLU A 43 6.607 -0.638 -10.450 1.00 0.00 O ATOM 0 H GLU A 43 8.066 2.491 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 43 5.725 1.865 -7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.181 0.421 -6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.826 -0.560 -7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.058 1.649 -8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.524 -0.037 -8.995 1.00 0.00 H new ATOM 619 N VAL A 44 5.902 0.564 -4.579 1.00 0.00 N ATOM 620 CA VAL A 44 5.107 -0.032 -3.513 1.00 0.00 C ATOM 621 C VAL A 44 3.855 0.793 -3.234 1.00 0.00 C ATOM 622 O VAL A 44 2.785 0.246 -2.971 1.00 0.00 O ATOM 623 CB VAL A 44 5.921 -0.164 -2.212 1.00 0.00 C ATOM 624 CG1 VAL A 44 5.097 -0.848 -1.132 1.00 0.00 C ATOM 625 CG2 VAL A 44 7.214 -0.922 -2.468 1.00 0.00 C ATOM 0 H VAL A 44 6.880 0.723 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 44 4.816 -1.026 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 44 6.176 0.836 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.689 -0.932 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.202 -0.260 -0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.808 -1.843 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.777 -1.006 -1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.983 -1.919 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.810 -0.385 -3.206 1.00 0.00 H new ATOM 635 N ASN A 45 3.997 2.113 -3.296 1.00 0.00 N ATOM 636 CA ASN A 45 2.877 3.014 -3.050 1.00 0.00 C ATOM 637 C ASN A 45 1.916 3.023 -4.235 1.00 0.00 C ATOM 638 O ASN A 45 0.697 3.031 -4.061 1.00 0.00 O ATOM 639 CB ASN A 45 3.386 4.432 -2.781 1.00 0.00 C ATOM 640 CG ASN A 45 4.242 4.511 -1.532 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.948 3.871 -0.523 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.308 5.301 -1.594 1.00 0.00 N ATOM 0 H ASN A 45 4.876 2.582 -3.514 1.00 0.00 H new ATOM 0 HA ASN A 45 2.340 2.655 -2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.965 4.776 -3.638 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.536 5.107 -2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.921 5.395 -0.784 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.514 5.813 -2.452 1.00 0.00 H new ATOM 649 N LYS A 46 2.473 3.021 -5.441 1.00 0.00 N ATOM 650 CA LYS A 46 1.667 3.026 -6.657 1.00 0.00 C ATOM 651 C LYS A 46 0.692 1.854 -6.668 1.00 0.00 C ATOM 652 O LYS A 46 -0.486 2.017 -6.983 1.00 0.00 O ATOM 653 CB LYS A 46 2.569 2.966 -7.891 1.00 0.00 C ATOM 654 CG LYS A 46 3.387 4.227 -8.110 1.00 0.00 C ATOM 655 CD LYS A 46 2.678 5.198 -9.039 1.00 0.00 C ATOM 656 CE LYS A 46 1.878 6.231 -8.260 1.00 0.00 C ATOM 657 NZ LYS A 46 0.796 6.833 -9.086 1.00 0.00 N ATOM 0 H LYS A 46 3.480 3.016 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 46 1.093 3.952 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.245 2.117 -7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.953 2.785 -8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.575 4.711 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.358 3.964 -8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.411 5.703 -9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.013 4.647 -9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.443 5.763 -7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.546 7.017 -7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.274 7.532 -8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.213 7.302 -9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.144 6.087 -9.401 1.00 0.00 H new ATOM 671 N ALA A 47 1.191 0.671 -6.323 1.00 0.00 N ATOM 672 CA ALA A 47 0.363 -0.528 -6.290 1.00 0.00 C ATOM 673 C ALA A 47 -0.567 -0.520 -5.081 1.00 0.00 C ATOM 674 O ALA A 47 -1.708 -0.976 -5.160 1.00 0.00 O ATOM 675 CB ALA A 47 1.237 -1.773 -6.279 1.00 0.00 C ATOM 0 H ALA A 47 2.165 0.518 -6.062 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.253 -0.539 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.605 -2.661 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.855 -1.792 -7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.878 -1.760 -5.398 1.00 0.00 H new ATOM 681 N TYR A 48 -0.072 0.000 -3.964 1.00 0.00 N ATOM 682 CA TYR A 48 -0.857 0.063 -2.737 1.00 0.00 C ATOM 683 C TYR A 48 -2.066 0.977 -2.911 1.00 0.00 C ATOM 684 O TYR A 48 -3.153 0.689 -2.410 1.00 0.00 O ATOM 685 CB TYR A 48 0.009 0.559 -1.577 1.00 0.00 C ATOM 686 CG TYR A 48 -0.769 1.308 -0.518 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.232 2.597 -0.749 1.00 0.00 C ATOM 688 CD2 TYR A 48 -1.041 0.725 0.713 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.941 3.285 0.216 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.752 1.405 1.684 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.199 2.685 1.430 1.00 0.00 C ATOM 692 OH TYR A 48 -2.907 3.366 2.394 1.00 0.00 O ATOM 0 H TYR A 48 0.869 0.384 -3.883 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.213 -0.942 -2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.506 -0.294 -1.115 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.790 1.209 -1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.034 3.069 -1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.691 -0.277 0.915 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.291 4.288 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.956 0.937 2.636 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.003 2.802 3.189 1.00 0.00 H new ATOM 702 N ARG A 49 -1.868 2.081 -3.625 1.00 0.00 N ATOM 703 CA ARG A 49 -2.940 3.038 -3.865 1.00 0.00 C ATOM 704 C ARG A 49 -4.062 2.404 -4.682 1.00 0.00 C ATOM 705 O ARG A 49 -5.194 2.282 -4.214 1.00 0.00 O ATOM 706 CB ARG A 49 -2.399 4.270 -4.593 1.00 0.00 C ATOM 707 CG ARG A 49 -1.782 5.304 -3.664 1.00 0.00 C ATOM 708 CD ARG A 49 -1.497 6.608 -4.393 1.00 0.00 C ATOM 709 NE ARG A 49 -0.887 7.603 -3.516 1.00 0.00 N ATOM 710 CZ ARG A 49 -0.959 8.912 -3.728 1.00 0.00 C ATOM 711 NH1 ARG A 49 -1.611 9.382 -4.783 1.00 0.00 N ATOM 712 NH2 ARG A 49 -0.378 9.756 -2.884 1.00 0.00 N ATOM 0 H ARG A 49 -0.975 2.334 -4.047 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.344 3.343 -2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.650 3.953 -5.319 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.210 4.735 -5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.456 5.493 -2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.856 4.911 -3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.835 6.414 -5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.426 7.006 -4.801 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.378 7.275 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.059 8.737 -5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.664 10.388 -4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.125 9.399 -2.071 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.434 10.761 -3.048 1.00 0.00 H new ATOM 726 N LYS A 50 -3.740 2.002 -5.907 1.00 0.00 N ATOM 727 CA LYS A 50 -4.719 1.380 -6.791 1.00 0.00 C ATOM 728 C LYS A 50 -5.492 0.285 -6.061 1.00 0.00 C ATOM 729 O LYS A 50 -6.691 0.108 -6.278 1.00 0.00 O ATOM 730 CB LYS A 50 -4.026 0.794 -8.023 1.00 0.00 C ATOM 731 CG LYS A 50 -3.046 -0.319 -7.697 1.00 0.00 C ATOM 732 CD LYS A 50 -2.615 -1.067 -8.949 1.00 0.00 C ATOM 733 CE LYS A 50 -1.505 -0.331 -9.683 1.00 0.00 C ATOM 734 NZ LYS A 50 -1.374 -0.790 -11.094 1.00 0.00 N ATOM 0 H LYS A 50 -2.808 2.096 -6.310 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.423 2.148 -7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.783 0.411 -8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.497 1.591 -8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.170 0.100 -7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.505 -1.016 -6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.273 -2.066 -8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.471 -1.192 -9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.707 0.740 -9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.560 -0.485 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.607 -0.265 -11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.156 -1.807 -11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.267 -0.619 -11.599 1.00 0.00 H new ATOM 748 N LEU A 51 -4.798 -0.445 -5.195 1.00 0.00 N ATOM 749 CA LEU A 51 -5.420 -1.522 -4.432 1.00 0.00 C ATOM 750 C LEU A 51 -6.340 -0.962 -3.351 1.00 0.00 C ATOM 751 O LEU A 51 -7.513 -1.325 -3.272 1.00 0.00 O ATOM 752 CB LEU A 51 -4.348 -2.408 -3.797 1.00 0.00 C ATOM 753 CG LEU A 51 -4.774 -3.836 -3.452 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.243 -4.568 -4.700 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.631 -4.588 -2.787 1.00 0.00 C ATOM 0 H LEU A 51 -3.805 -0.311 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.019 -2.122 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.497 -2.458 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.999 -1.924 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.606 -3.788 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.542 -5.582 -4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.092 -4.040 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.431 -4.607 -5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.952 -5.602 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.778 -4.628 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.342 -4.074 -1.870 1.00 0.00 H new ATOM 767 N ALA A 52 -5.799 -0.076 -2.522 1.00 0.00 N ATOM 768 CA ALA A 52 -6.571 0.537 -1.448 1.00 0.00 C ATOM 769 C ALA A 52 -7.951 0.963 -1.939 1.00 0.00 C ATOM 770 O ALA A 52 -8.965 0.664 -1.309 1.00 0.00 O ATOM 771 CB ALA A 52 -5.822 1.729 -0.873 1.00 0.00 C ATOM 0 H ALA A 52 -4.829 0.234 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.707 -0.206 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.410 2.177 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.862 1.399 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.656 2.467 -1.657 1.00 0.00 H new ATOM 777 N VAL A 53 -7.981 1.664 -3.068 1.00 0.00 N ATOM 778 CA VAL A 53 -9.236 2.131 -3.644 1.00 0.00 C ATOM 779 C VAL A 53 -10.179 0.967 -3.927 1.00 0.00 C ATOM 780 O VAL A 53 -11.399 1.100 -3.818 1.00 0.00 O ATOM 781 CB VAL A 53 -8.998 2.913 -4.950 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.322 3.336 -5.568 1.00 0.00 C ATOM 783 CG2 VAL A 53 -8.111 4.121 -4.693 1.00 0.00 C ATOM 0 H VAL A 53 -7.151 1.921 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.693 2.794 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.487 2.259 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.134 3.887 -6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.919 2.451 -5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.863 3.973 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.953 4.662 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.593 4.779 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.150 3.790 -4.299 1.00 0.00 H new ATOM 793 N LEU A 54 -9.606 -0.176 -4.289 1.00 0.00 N ATOM 794 CA LEU A 54 -10.395 -1.366 -4.587 1.00 0.00 C ATOM 795 C LEU A 54 -10.909 -2.014 -3.305 1.00 0.00 C ATOM 796 O LEU A 54 -12.037 -2.507 -3.254 1.00 0.00 O ATOM 797 CB LEU A 54 -9.558 -2.371 -5.380 1.00 0.00 C ATOM 798 CG LEU A 54 -10.300 -3.608 -5.889 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.203 -3.245 -7.057 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.312 -4.693 -6.293 1.00 0.00 C ATOM 0 H LEU A 54 -8.598 -0.304 -4.383 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.253 -1.062 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.122 -1.856 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.731 -2.701 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.922 -3.993 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.723 -4.137 -7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.933 -2.502 -6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.601 -2.835 -7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.857 -5.566 -6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.664 -4.318 -7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.707 -4.973 -5.431 1.00 0.00 H new ATOM 812 N LEU A 55 -10.076 -2.008 -2.270 1.00 0.00 N ATOM 813 CA LEU A 55 -10.446 -2.592 -0.986 1.00 0.00 C ATOM 814 C LEU A 55 -10.989 -1.527 -0.039 1.00 0.00 C ATOM 815 O LEU A 55 -11.243 -1.797 1.136 1.00 0.00 O ATOM 816 CB LEU A 55 -9.240 -3.287 -0.353 1.00 0.00 C ATOM 817 CG LEU A 55 -8.434 -4.205 -1.273 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.059 -4.477 -0.685 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.181 -5.509 -1.513 1.00 0.00 C ATOM 0 H LEU A 55 -9.139 -1.605 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.230 -3.328 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.571 -2.522 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.589 -3.873 0.497 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.303 -3.703 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.500 -5.132 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.522 -3.536 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.168 -4.958 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.593 -6.150 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.343 -6.016 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.143 -5.297 -1.980 1.00 0.00 H new ATOM 831 N HIS A 56 -11.167 -0.316 -0.558 1.00 0.00 N ATOM 832 CA HIS A 56 -11.683 0.789 0.241 1.00 0.00 C ATOM 833 C HIS A 56 -12.977 0.393 0.946 1.00 0.00 C ATOM 834 O HIS A 56 -13.815 -0.324 0.399 1.00 0.00 O ATOM 835 CB HIS A 56 -11.923 2.015 -0.641 1.00 0.00 C ATOM 836 CG HIS A 56 -11.677 3.315 0.061 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.682 4.210 0.362 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.531 3.869 0.522 1.00 0.00 C ATOM 839 CE1 HIS A 56 -12.165 5.259 0.977 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.861 5.077 1.087 1.00 0.00 N ATOM 0 H HIS A 56 -10.962 -0.076 -1.528 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.939 1.036 0.998 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.275 1.956 -1.516 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.951 1.996 -1.004 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.542 3.441 0.458 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.715 6.119 1.330 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.206 5.727 1.521 1.00 0.00 H new ATOM 848 N PRO A 57 -13.145 0.870 2.188 1.00 0.00 N ATOM 849 CA PRO A 57 -14.334 0.578 2.994 1.00 0.00 C ATOM 850 C PRO A 57 -15.583 1.268 2.455 1.00 0.00 C ATOM 851 O PRO A 57 -16.689 0.736 2.553 1.00 0.00 O ATOM 852 CB PRO A 57 -13.972 1.131 4.375 1.00 0.00 C ATOM 853 CG PRO A 57 -12.962 2.193 4.105 1.00 0.00 C ATOM 854 CD PRO A 57 -12.187 1.731 2.902 1.00 0.00 C ATOM 0 HA PRO A 57 -14.574 -0.485 2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.848 1.537 4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.565 0.352 5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.445 3.151 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.304 2.333 4.963 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.864 2.570 2.286 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.290 1.182 3.189 1.00 0.00 H new ATOM 862 N ASP A 58 -15.399 2.454 1.886 1.00 0.00 N ATOM 863 CA ASP A 58 -16.511 3.217 1.330 1.00 0.00 C ATOM 864 C ASP A 58 -16.756 2.835 -0.127 1.00 0.00 C ATOM 865 O ASP A 58 -17.658 3.366 -0.775 1.00 0.00 O ATOM 866 CB ASP A 58 -16.233 4.717 1.437 1.00 0.00 C ATOM 867 CG ASP A 58 -17.471 5.554 1.187 1.00 0.00 C ATOM 868 OD1 ASP A 58 -18.379 5.541 2.044 1.00 0.00 O ATOM 869 OD2 ASP A 58 -17.533 6.222 0.133 1.00 0.00 O ATOM 0 H ASP A 58 -14.490 2.908 1.797 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.406 2.980 1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.841 4.941 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.461 4.993 0.719 1.00 0.00 H new ATOM 874 N LYS A 59 -15.947 1.912 -0.636 1.00 0.00 N ATOM 875 CA LYS A 59 -16.076 1.459 -2.016 1.00 0.00 C ATOM 876 C LYS A 59 -16.405 -0.030 -2.070 1.00 0.00 C ATOM 877 O LYS A 59 -17.068 -0.495 -2.998 1.00 0.00 O ATOM 878 CB LYS A 59 -14.784 1.735 -2.787 1.00 0.00 C ATOM 879 CG LYS A 59 -14.305 3.172 -2.677 1.00 0.00 C ATOM 880 CD LYS A 59 -14.870 4.036 -3.792 1.00 0.00 C ATOM 881 CE LYS A 59 -14.676 5.517 -3.503 1.00 0.00 C ATOM 882 NZ LYS A 59 -15.410 5.944 -2.280 1.00 0.00 N ATOM 0 H LYS A 59 -15.195 1.463 -0.113 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.893 2.011 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.002 1.071 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.939 1.492 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.602 3.582 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.216 3.197 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.383 3.781 -4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.932 3.824 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.613 5.727 -3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.020 6.102 -4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.586 6.968 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.317 5.438 -2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.840 5.724 -1.438 1.00 0.00 H new ATOM 896 N CYS A 60 -15.938 -0.771 -1.072 1.00 0.00 N ATOM 897 CA CYS A 60 -16.184 -2.207 -1.006 1.00 0.00 C ATOM 898 C CYS A 60 -16.886 -2.580 0.295 1.00 0.00 C ATOM 899 O CYS A 60 -16.266 -2.625 1.357 1.00 0.00 O ATOM 900 CB CYS A 60 -14.867 -2.977 -1.128 1.00 0.00 C ATOM 901 SG CYS A 60 -15.063 -4.695 -1.654 1.00 0.00 S ATOM 0 H CYS A 60 -15.387 -0.401 -0.297 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.834 -2.478 -1.838 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.222 -2.462 -1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.357 -2.959 -0.165 1.00 0.00 H new ATOM 0 HG CYS A 60 -13.930 -5.320 -1.527 1.00 0.00 H new ATOM 907 N VAL A 61 -18.186 -2.846 0.205 1.00 0.00 N ATOM 908 CA VAL A 61 -18.974 -3.214 1.375 1.00 0.00 C ATOM 909 C VAL A 61 -18.825 -4.697 1.693 1.00 0.00 C ATOM 910 O VAL A 61 -19.605 -5.260 2.461 1.00 0.00 O ATOM 911 CB VAL A 61 -20.466 -2.891 1.171 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.658 -1.410 0.883 1.00 0.00 C ATOM 913 CG2 VAL A 61 -21.046 -3.741 0.050 1.00 0.00 C ATOM 0 H VAL A 61 -18.715 -2.813 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.594 -2.626 2.211 1.00 0.00 H new ATOM 0 HB VAL A 61 -21.001 -3.129 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.718 -1.201 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.281 -0.824 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.112 -1.141 -0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -22.101 -3.500 -0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.510 -3.537 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.944 -4.796 0.303 1.00 0.00 H new ATOM 923 N ALA A 62 -17.816 -5.326 1.098 1.00 0.00 N ATOM 924 CA ALA A 62 -17.563 -6.744 1.320 1.00 0.00 C ATOM 925 C ALA A 62 -17.145 -7.008 2.762 1.00 0.00 C ATOM 926 O ALA A 62 -16.601 -6.140 3.445 1.00 0.00 O ATOM 927 CB ALA A 62 -16.495 -7.246 0.359 1.00 0.00 C ATOM 0 H ALA A 62 -17.161 -4.876 0.459 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.490 -7.287 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.316 -8.307 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.832 -7.101 -0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.571 -6.690 0.519 1.00 0.00 H new ATOM 933 N PRO A 63 -17.405 -8.234 3.240 1.00 0.00 N ATOM 934 CA PRO A 63 -17.065 -8.641 4.606 1.00 0.00 C ATOM 935 C PRO A 63 -15.560 -8.773 4.814 1.00 0.00 C ATOM 936 O PRO A 63 -15.062 -8.634 5.930 1.00 0.00 O ATOM 937 CB PRO A 63 -17.746 -10.004 4.752 1.00 0.00 C ATOM 938 CG PRO A 63 -17.854 -10.523 3.360 1.00 0.00 C ATOM 939 CD PRO A 63 -18.052 -9.319 2.482 1.00 0.00 C ATOM 0 HA PRO A 63 -17.391 -7.906 5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.160 -10.674 5.380 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.727 -9.909 5.217 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.954 -11.069 3.076 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.690 -11.216 3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.592 -9.455 1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.109 -9.115 2.312 1.00 0.00 H new ATOM 947 N GLY A 64 -14.839 -9.041 3.729 1.00 0.00 N ATOM 948 CA GLY A 64 -13.397 -9.187 3.814 1.00 0.00 C ATOM 949 C GLY A 64 -12.663 -7.917 3.435 1.00 0.00 C ATOM 950 O GLY A 64 -11.550 -7.672 3.901 1.00 0.00 O ATOM 0 H GLY A 64 -15.227 -9.160 2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.123 -9.472 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.078 -9.997 3.158 1.00 0.00 H new ATOM 954 N SER A 65 -13.285 -7.106 2.585 1.00 0.00 N ATOM 955 CA SER A 65 -12.681 -5.856 2.140 1.00 0.00 C ATOM 956 C SER A 65 -11.972 -5.153 3.293 1.00 0.00 C ATOM 957 O SER A 65 -10.937 -4.515 3.103 1.00 0.00 O ATOM 958 CB SER A 65 -13.746 -4.934 1.544 1.00 0.00 C ATOM 959 OG SER A 65 -14.659 -4.500 2.537 1.00 0.00 O ATOM 0 H SER A 65 -14.207 -7.293 2.191 1.00 0.00 H new ATOM 0 HA SER A 65 -11.943 -6.092 1.373 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.267 -4.070 1.084 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.285 -5.458 0.755 1.00 0.00 H new ATOM 0 HG SER A 65 -15.184 -5.264 2.855 1.00 0.00 H new ATOM 965 N GLU A 66 -12.537 -5.277 4.490 1.00 0.00 N ATOM 966 CA GLU A 66 -11.959 -4.653 5.675 1.00 0.00 C ATOM 967 C GLU A 66 -10.570 -5.214 5.963 1.00 0.00 C ATOM 968 O GLU A 66 -9.570 -4.501 5.877 1.00 0.00 O ATOM 969 CB GLU A 66 -12.869 -4.868 6.886 1.00 0.00 C ATOM 970 CG GLU A 66 -12.272 -4.370 8.192 1.00 0.00 C ATOM 971 CD GLU A 66 -12.753 -5.162 9.392 1.00 0.00 C ATOM 972 OE1 GLU A 66 -12.125 -6.192 9.715 1.00 0.00 O ATOM 973 OE2 GLU A 66 -13.757 -4.750 10.010 1.00 0.00 O ATOM 0 H GLU A 66 -13.393 -5.803 4.665 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.867 -3.584 5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.817 -4.359 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.090 -5.931 6.979 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.185 -4.427 8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.529 -3.320 8.328 1.00 0.00 H new ATOM 980 N ASP A 67 -10.516 -6.497 6.305 1.00 0.00 N ATOM 981 CA ASP A 67 -9.250 -7.155 6.605 1.00 0.00 C ATOM 982 C ASP A 67 -8.230 -6.903 5.499 1.00 0.00 C ATOM 983 O ASP A 67 -7.061 -6.628 5.769 1.00 0.00 O ATOM 984 CB ASP A 67 -9.463 -8.659 6.786 1.00 0.00 C ATOM 985 CG ASP A 67 -10.306 -8.982 8.004 1.00 0.00 C ATOM 986 OD1 ASP A 67 -11.192 -8.171 8.345 1.00 0.00 O ATOM 987 OD2 ASP A 67 -10.080 -10.046 8.616 1.00 0.00 O ATOM 0 H ASP A 67 -11.334 -7.101 6.381 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.863 -6.736 7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.945 -9.064 5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.495 -9.152 6.877 1.00 0.00 H new ATOM 992 N ALA A 68 -8.681 -6.999 4.253 1.00 0.00 N ATOM 993 CA ALA A 68 -7.808 -6.780 3.106 1.00 0.00 C ATOM 994 C ALA A 68 -7.043 -5.468 3.240 1.00 0.00 C ATOM 995 O ALA A 68 -5.812 -5.451 3.226 1.00 0.00 O ATOM 996 CB ALA A 68 -8.617 -6.792 1.817 1.00 0.00 C ATOM 0 H ALA A 68 -9.646 -7.227 4.012 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.081 -7.592 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.952 -6.627 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.113 -7.757 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.366 -6.001 1.850 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.780 -4.370 3.370 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.171 -3.052 3.506 1.00 0.00 C ATOM 1004 C PHE A 69 -6.101 -3.057 4.594 1.00 0.00 C ATOM 1005 O PHE A 69 -5.003 -2.532 4.404 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.238 -2.004 3.828 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.737 -0.590 3.737 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -7.134 -0.128 2.578 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -7.868 0.276 4.811 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.673 1.171 2.491 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.409 1.577 4.729 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.809 2.025 3.568 1.00 0.00 C ATOM 0 H PHE A 69 -8.800 -4.367 3.384 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.698 -2.798 2.557 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.077 -2.129 3.143 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.619 -2.182 4.834 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.023 -0.791 1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.334 -0.070 5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.206 1.519 1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.519 2.243 5.572 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.447 3.040 3.503 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.429 -3.652 5.735 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.498 -3.727 6.855 1.00 0.00 C ATOM 1024 C LYS A 70 -4.207 -4.428 6.443 1.00 0.00 C ATOM 1025 O LYS A 70 -3.111 -3.961 6.750 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.141 -4.467 8.030 1.00 0.00 C ATOM 1027 CG LYS A 70 -6.913 -3.559 8.971 1.00 0.00 C ATOM 1028 CD LYS A 70 -7.938 -4.337 9.780 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.277 -5.160 10.875 1.00 0.00 C ATOM 1030 NZ LYS A 70 -8.172 -5.340 12.051 1.00 0.00 N ATOM 0 H LYS A 70 -7.334 -4.090 5.909 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.256 -2.710 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.814 -5.232 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.363 -4.983 8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.219 -3.058 9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.416 -2.781 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.653 -3.645 10.225 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.501 -4.995 9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.999 -6.136 10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.356 -4.670 11.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.685 -5.906 12.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.417 -4.410 12.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.040 -5.830 11.755 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.346 -5.551 5.746 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.191 -6.315 5.290 1.00 0.00 C ATOM 1046 C ALA A 71 -2.300 -5.472 4.383 1.00 0.00 C ATOM 1047 O ALA A 71 -1.088 -5.394 4.585 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.643 -7.575 4.567 1.00 0.00 C ATOM 0 H ALA A 71 -5.247 -5.952 5.485 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.607 -6.602 6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.770 -8.135 4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.232 -8.192 5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.251 -7.301 3.705 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.908 -4.844 3.381 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.170 -4.007 2.443 1.00 0.00 C ATOM 1056 C VAL A 72 -1.196 -3.090 3.174 1.00 0.00 C ATOM 1057 O VAL A 72 0.000 -3.078 2.882 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.121 -3.151 1.586 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.331 -2.238 0.662 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -4.067 -4.039 0.792 1.00 0.00 C ATOM 0 H VAL A 72 -3.910 -4.899 3.198 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.612 -4.679 1.791 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.718 -2.526 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.020 -1.641 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.700 -1.577 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.706 -2.840 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.732 -3.418 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.490 -4.691 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.658 -4.646 1.478 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.717 -2.322 4.126 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.893 -1.401 4.900 1.00 0.00 C ATOM 1072 C VAL A 73 0.314 -2.114 5.499 1.00 0.00 C ATOM 1073 O VAL A 73 1.457 -1.730 5.256 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.702 -0.743 6.034 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.802 0.130 6.895 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.857 0.066 5.465 1.00 0.00 C ATOM 0 H VAL A 73 -2.705 -2.319 4.379 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.550 -0.628 4.212 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.116 -1.530 6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.391 0.586 7.691 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.013 -0.481 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.356 0.911 6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.417 0.523 6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.467 0.846 4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.515 -0.590 4.896 1.00 0.00 H new ATOM 1086 N ASN A 74 0.051 -3.155 6.282 1.00 0.00 N ATOM 1087 CA ASN A 74 1.117 -3.923 6.916 1.00 0.00 C ATOM 1088 C ASN A 74 2.172 -4.335 5.894 1.00 0.00 C ATOM 1089 O ASN A 74 3.362 -4.386 6.202 1.00 0.00 O ATOM 1090 CB ASN A 74 0.541 -5.164 7.601 1.00 0.00 C ATOM 1091 CG ASN A 74 0.051 -4.873 9.006 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.824 -4.469 9.875 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -1.241 -5.078 9.236 1.00 0.00 N ATOM 0 H ASN A 74 -0.890 -3.486 6.493 1.00 0.00 H new ATOM 0 HA ASN A 74 1.591 -3.290 7.666 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.284 -5.555 7.005 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.304 -5.942 7.639 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.629 -4.900 10.162 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.846 -5.414 8.486 1.00 0.00 H new ATOM 1100 N ALA A 75 1.726 -4.629 4.677 1.00 0.00 N ATOM 1101 CA ALA A 75 2.631 -5.035 3.609 1.00 0.00 C ATOM 1102 C ALA A 75 3.447 -3.850 3.101 1.00 0.00 C ATOM 1103 O ALA A 75 4.672 -3.831 3.221 1.00 0.00 O ATOM 1104 CB ALA A 75 1.850 -5.669 2.468 1.00 0.00 C ATOM 0 H ALA A 75 0.743 -4.594 4.406 1.00 0.00 H new ATOM 0 HA ALA A 75 3.324 -5.773 4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.539 -5.967 1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.317 -6.546 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.134 -4.948 2.073 1.00 0.00 H new ATOM 1110 N ARG A 76 2.759 -2.864 2.534 1.00 0.00 N ATOM 1111 CA ARG A 76 3.420 -1.677 2.006 1.00 0.00 C ATOM 1112 C ARG A 76 4.279 -1.011 3.077 1.00 0.00 C ATOM 1113 O ARG A 76 5.504 -0.956 2.962 1.00 0.00 O ATOM 1114 CB ARG A 76 2.385 -0.684 1.476 1.00 0.00 C ATOM 1115 CG ARG A 76 2.957 0.694 1.182 1.00 0.00 C ATOM 1116 CD ARG A 76 1.856 1.728 1.006 1.00 0.00 C ATOM 1117 NE ARG A 76 2.297 3.067 1.388 1.00 0.00 N ATOM 1118 CZ ARG A 76 2.260 3.525 2.635 1.00 0.00 C ATOM 1119 NH1 ARG A 76 1.805 2.755 3.614 1.00 0.00 N ATOM 1120 NH2 ARG A 76 2.679 4.755 2.903 1.00 0.00 N ATOM 0 H ARG A 76 1.744 -2.864 2.429 1.00 0.00 H new ATOM 0 HA ARG A 76 4.068 -1.987 1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.942 -1.086 0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.581 -0.586 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.616 0.997 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.566 0.651 0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.530 1.737 -0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.993 1.445 1.609 1.00 0.00 H new ATOM 0 HE ARG A 76 2.653 3.684 0.658 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.482 1.809 3.411 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.778 3.109 4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.030 5.349 2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.650 5.106 3.860 1.00 0.00 H new ATOM 1134 N THR A 77 3.628 -0.506 4.120 1.00 0.00 N ATOM 1135 CA THR A 77 4.330 0.158 5.211 1.00 0.00 C ATOM 1136 C THR A 77 5.598 -0.598 5.589 1.00 0.00 C ATOM 1137 O THR A 77 6.630 0.007 5.879 1.00 0.00 O ATOM 1138 CB THR A 77 3.434 0.291 6.458 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.204 0.935 6.110 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.138 1.084 7.548 1.00 0.00 C ATOM 0 H THR A 77 2.615 -0.544 4.232 1.00 0.00 H new ATOM 0 HA THR A 77 4.596 1.154 4.856 1.00 0.00 H new ATOM 0 HB THR A 77 3.225 -0.709 6.837 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.599 0.284 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.486 1.165 8.418 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.059 0.575 7.831 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.374 2.082 7.178 1.00 0.00 H new ATOM 1148 N ALA A 78 5.515 -1.924 5.583 1.00 0.00 N ATOM 1149 CA ALA A 78 6.658 -2.763 5.923 1.00 0.00 C ATOM 1150 C ALA A 78 7.743 -2.671 4.855 1.00 0.00 C ATOM 1151 O ALA A 78 8.886 -2.317 5.145 1.00 0.00 O ATOM 1152 CB ALA A 78 6.216 -4.208 6.106 1.00 0.00 C ATOM 0 H ALA A 78 4.668 -2.441 5.346 1.00 0.00 H new ATOM 0 HA ALA A 78 7.077 -2.401 6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.079 -4.823 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.481 -4.265 6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.770 -4.572 5.180 1.00 0.00 H new ATOM 1158 N LEU A 79 7.378 -2.994 3.619 1.00 0.00 N ATOM 1159 CA LEU A 79 8.321 -2.948 2.507 1.00 0.00 C ATOM 1160 C LEU A 79 9.083 -1.627 2.493 1.00 0.00 C ATOM 1161 O LEU A 79 10.315 -1.609 2.488 1.00 0.00 O ATOM 1162 CB LEU A 79 7.585 -3.139 1.180 1.00 0.00 C ATOM 1163 CG LEU A 79 6.868 -4.477 0.996 1.00 0.00 C ATOM 1164 CD1 LEU A 79 6.107 -4.499 -0.320 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.861 -5.628 1.060 1.00 0.00 C ATOM 0 H LEU A 79 6.437 -3.290 3.362 1.00 0.00 H new ATOM 0 HA LEU A 79 9.038 -3.758 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.852 -2.339 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.303 -3.020 0.369 1.00 0.00 H new ATOM 0 HG LEU A 79 6.151 -4.597 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.603 -5.459 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.367 -3.698 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.804 -4.355 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.333 -6.572 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.603 -5.513 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.360 -5.625 2.029 1.00 0.00 H new ATOM 1177 N LEU A 80 8.344 -0.523 2.488 1.00 0.00 N ATOM 1178 CA LEU A 80 8.950 0.803 2.477 1.00 0.00 C ATOM 1179 C LEU A 80 10.137 0.868 3.433 1.00 0.00 C ATOM 1180 O LEU A 80 11.234 1.275 3.052 1.00 0.00 O ATOM 1181 CB LEU A 80 7.914 1.862 2.860 1.00 0.00 C ATOM 1182 CG LEU A 80 6.726 2.013 1.909 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.756 3.061 2.430 1.00 0.00 C ATOM 1184 CD2 LEU A 80 7.204 2.373 0.510 1.00 0.00 C ATOM 0 H LEU A 80 7.324 -0.520 2.491 1.00 0.00 H new ATOM 0 HA LEU A 80 9.309 1.003 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.531 1.625 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.419 2.825 2.935 1.00 0.00 H new ATOM 0 HG LEU A 80 6.203 1.058 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.917 3.155 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.388 2.760 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.267 4.020 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.345 2.476 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.752 3.315 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.859 1.586 0.135 1.00 0.00 H new ATOM 1196 N LYS A 81 9.910 0.461 4.678 1.00 0.00 N ATOM 1197 CA LYS A 81 10.960 0.469 5.689 1.00 0.00 C ATOM 1198 C LYS A 81 12.292 0.024 5.094 1.00 0.00 C ATOM 1199 O LYS A 81 13.343 0.576 5.417 1.00 0.00 O ATOM 1200 CB LYS A 81 10.580 -0.445 6.856 1.00 0.00 C ATOM 1201 CG LYS A 81 9.352 0.021 7.619 1.00 0.00 C ATOM 1202 CD LYS A 81 8.887 -1.023 8.620 1.00 0.00 C ATOM 1203 CE LYS A 81 7.739 -0.506 9.472 1.00 0.00 C ATOM 1204 NZ LYS A 81 6.950 -1.617 10.073 1.00 0.00 N ATOM 0 H LYS A 81 9.007 0.121 5.010 1.00 0.00 H new ATOM 0 HA LYS A 81 11.069 1.490 6.055 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.401 -1.451 6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.422 -0.510 7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.578 0.951 8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.547 0.237 6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.572 -1.922 8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.719 -1.308 9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.133 0.130 10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.084 0.115 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.177 -1.223 10.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.553 -2.210 9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.569 -2.195 10.677 1.00 0.00 H new ATOM 1218 N ASN A 82 12.240 -0.978 4.222 1.00 0.00 N ATOM 1219 CA ASN A 82 13.443 -1.497 3.580 1.00 0.00 C ATOM 1220 C ASN A 82 13.996 -0.495 2.571 1.00 0.00 C ATOM 1221 O ASN A 82 15.211 -0.357 2.421 1.00 0.00 O ATOM 1222 CB ASN A 82 13.142 -2.826 2.884 1.00 0.00 C ATOM 1223 CG ASN A 82 14.378 -3.690 2.730 1.00 0.00 C ATOM 1224 OD1 ASN A 82 14.731 -4.096 1.622 1.00 0.00 O ATOM 1225 ND2 ASN A 82 15.043 -3.976 3.843 1.00 0.00 N ATOM 0 H ASN A 82 11.378 -1.447 3.944 1.00 0.00 H new ATOM 0 HA ASN A 82 14.195 -1.661 4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.390 -3.370 3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.714 -2.630 1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.883 -4.554 3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.714 -3.618 4.740 1.00 0.00 H new ATOM 1232 N ILE A 83 13.098 0.201 1.883 1.00 0.00 N ATOM 1233 CA ILE A 83 13.496 1.190 0.890 1.00 0.00 C ATOM 1234 C ILE A 83 13.926 2.494 1.554 1.00 0.00 C ATOM 1235 O ILE A 83 15.079 2.910 1.442 1.00 0.00 O ATOM 1236 CB ILE A 83 12.355 1.485 -0.101 1.00 0.00 C ATOM 1237 CG1 ILE A 83 12.008 0.228 -0.902 1.00 0.00 C ATOM 1238 CG2 ILE A 83 12.743 2.623 -1.033 1.00 0.00 C ATOM 1239 CD1 ILE A 83 11.062 -0.707 -0.181 1.00 0.00 C ATOM 0 H ILE A 83 12.089 0.098 1.995 1.00 0.00 H new ATOM 0 HA ILE A 83 14.339 0.766 0.345 1.00 0.00 H new ATOM 0 HB ILE A 83 11.473 1.789 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.560 0.524 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.927 -0.309 -1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.926 2.819 -1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.945 3.520 -0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.636 2.346 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.861 -1.576 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 83 11.515 -1.033 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.127 -0.187 0.030 1.00 0.00 H new ATOM 1251 N LYS A 84 12.992 3.133 2.249 1.00 0.00 N ATOM 1252 CA LYS A 84 13.273 4.389 2.936 1.00 0.00 C ATOM 1253 C LYS A 84 13.841 5.422 1.969 1.00 0.00 C ATOM 1254 O LYS A 84 14.790 6.136 2.296 1.00 0.00 O ATOM 1255 CB LYS A 84 14.255 4.156 4.086 1.00 0.00 C ATOM 1256 CG LYS A 84 14.317 5.306 5.075 1.00 0.00 C ATOM 1257 CD LYS A 84 13.319 5.123 6.206 1.00 0.00 C ATOM 1258 CE LYS A 84 12.023 5.870 5.932 1.00 0.00 C ATOM 1259 NZ LYS A 84 12.049 7.251 6.488 1.00 0.00 N ATOM 0 H LYS A 84 12.033 2.802 2.352 1.00 0.00 H new ATOM 0 HA LYS A 84 12.336 4.772 3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.971 3.247 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 84 15.250 3.988 3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 84 15.324 5.380 5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.114 6.244 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.108 4.062 6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.755 5.480 7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.850 5.915 4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.188 5.320 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.148 7.726 6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.188 7.208 7.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.830 7.785 6.055 1.00 0.00 H new ATOM 1273 N SER A 85 13.255 5.498 0.779 1.00 0.00 N ATOM 1274 CA SER A 85 13.705 6.443 -0.237 1.00 0.00 C ATOM 1275 C SER A 85 13.554 7.880 0.254 1.00 0.00 C ATOM 1276 O SER A 85 12.471 8.298 0.663 1.00 0.00 O ATOM 1277 CB SER A 85 12.914 6.248 -1.531 1.00 0.00 C ATOM 1278 OG SER A 85 13.073 7.358 -2.398 1.00 0.00 O ATOM 0 H SER A 85 12.467 4.916 0.494 1.00 0.00 H new ATOM 0 HA SER A 85 14.760 6.253 -0.433 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.249 5.340 -2.032 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.858 6.113 -1.298 1.00 0.00 H new ATOM 0 HG SER A 85 12.559 7.208 -3.219 1.00 0.00 H new ATOM 1284 N GLY A 86 14.649 8.632 0.210 1.00 0.00 N ATOM 1285 CA GLY A 86 14.619 10.014 0.652 1.00 0.00 C ATOM 1286 C GLY A 86 15.998 10.641 0.692 1.00 0.00 C ATOM 1287 O GLY A 86 16.645 10.836 -0.337 1.00 0.00 O ATOM 0 H GLY A 86 15.557 8.309 -0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.980 10.592 -0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.171 10.065 1.645 1.00 0.00 H new ATOM 1291 N PRO A 87 16.469 10.968 1.905 1.00 0.00 N ATOM 1292 CA PRO A 87 17.785 11.582 2.104 1.00 0.00 C ATOM 1293 C PRO A 87 18.926 10.614 1.815 1.00 0.00 C ATOM 1294 O PRO A 87 20.078 11.023 1.669 1.00 0.00 O ATOM 1295 CB PRO A 87 17.775 11.970 3.585 1.00 0.00 C ATOM 1296 CG PRO A 87 16.804 11.032 4.216 1.00 0.00 C ATOM 1297 CD PRO A 87 15.752 10.763 3.175 1.00 0.00 C ATOM 0 HA PRO A 87 17.948 12.423 1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 87 18.766 11.870 4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 87 17.469 13.007 3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.296 10.108 4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.364 11.470 5.112 1.00 0.00 H new ATOM 0 HD2 PRO A 87 15.357 9.750 3.255 1.00 0.00 H new ATOM 0 HD3 PRO A 87 14.906 11.443 3.273 1.00 0.00 H new ATOM 1305 N SER A 88 18.599 9.328 1.734 1.00 0.00 N ATOM 1306 CA SER A 88 19.598 8.301 1.465 1.00 0.00 C ATOM 1307 C SER A 88 19.437 7.741 0.055 1.00 0.00 C ATOM 1308 O SER A 88 18.375 7.864 -0.555 1.00 0.00 O ATOM 1309 CB SER A 88 19.487 7.170 2.491 1.00 0.00 C ATOM 1310 OG SER A 88 18.243 6.500 2.377 1.00 0.00 O ATOM 0 H SER A 88 17.650 8.973 1.851 1.00 0.00 H new ATOM 0 HA SER A 88 20.584 8.759 1.544 1.00 0.00 H new ATOM 0 HB2 SER A 88 20.301 6.460 2.344 1.00 0.00 H new ATOM 0 HB3 SER A 88 19.595 7.575 3.497 1.00 0.00 H new ATOM 0 HG SER A 88 18.197 5.781 3.041 1.00 0.00 H new ATOM 1316 N SER A 89 20.499 7.126 -0.456 1.00 0.00 N ATOM 1317 CA SER A 89 20.478 6.551 -1.796 1.00 0.00 C ATOM 1318 C SER A 89 19.290 5.608 -1.963 1.00 0.00 C ATOM 1319 O SER A 89 18.452 5.798 -2.844 1.00 0.00 O ATOM 1320 CB SER A 89 21.782 5.800 -2.072 1.00 0.00 C ATOM 1321 OG SER A 89 22.064 5.762 -3.460 1.00 0.00 O ATOM 0 H SER A 89 21.384 7.013 0.038 1.00 0.00 H new ATOM 0 HA SER A 89 20.377 7.366 -2.513 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.603 6.285 -1.544 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.709 4.784 -1.684 1.00 0.00 H new ATOM 0 HG SER A 89 22.903 5.278 -3.610 1.00 0.00 H new ATOM 1327 N GLY A 90 19.225 4.590 -1.110 1.00 0.00 N ATOM 1328 CA GLY A 90 18.137 3.632 -1.179 1.00 0.00 C ATOM 1329 C GLY A 90 17.710 3.342 -2.605 1.00 0.00 C ATOM 1330 O GLY A 90 16.821 4.003 -3.141 1.00 0.00 O ATOM 0 H GLY A 90 19.907 4.412 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.444 2.703 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 90 17.284 4.014 -0.618 1.00 0.00 H new TER 1334 GLY A 90