USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 846 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 TYR OH : rot -26:sc= 0.222 USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 67 HIS : no HE2:sc= 0 K(o=0,f=-0.71) USER MOD Set 3.1: A 48 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 50 THR OG1 : rot 180:sc= -0.0377 USER MOD Set 4.1: A 38 GLN : amide:sc= -0.503 K(o=-2.9,f=-3.5) USER MOD Set 4.2: A 42 MET CE :methyl 142:sc= -2.36! (180deg=-3.7!) USER MOD Set 5.1: A 22 TYR OH : rot -43:sc= 1.23 USER MOD Set 5.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 6 SER OG : rot 11:sc= 0.436 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0032 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 178:sc= -0.0691 (180deg=-0.0844) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.42) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.98 K(o=-0.98,f=0) USER MOD Single : A 40 HIS : no HE2:sc= 0.00943 K(o=0.0094,f=-0.89) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 14:sc= 0.00933 USER MOD Single : A 60 SER OG : rot 95:sc= 0.555 USER MOD Single : A 62 ASN : amide:sc= -4.73! C(o=-4.7!,f=-5.7!) USER MOD Single : A 63 SER OG : rot -23:sc= 0.788 USER MOD Single : A 71 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.017) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.05 K(o=-3,f=-9.8!) USER MOD Single : A 79 LYS NZ :NH3+ -135:sc= 0.248 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -1.03 K(o=-1,f=-4.8!) USER MOD Single : A 87 HIS : no HD1:sc= -9.99! C(o=-10!,f=-12!) USER MOD Single : A 95 TYR OH : rot 165:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -148:sc= -0.945 (180deg=-2.79!) USER MOD Single : A 98 HIS : no HD1:sc= -3.44! K(o=-3.4!,f=-2.1) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -47:sc= 0.0237 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.225 9.902 -32.036 1.00 0.00 N ATOM 2 CA GLY A 1 -3.809 9.772 -31.743 1.00 0.00 C ATOM 3 C GLY A 1 -3.210 11.053 -31.199 1.00 0.00 C ATOM 4 O GLY A 1 -2.322 11.642 -31.816 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.587 9.000 -32.405 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.738 10.151 -31.166 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.365 10.648 -32.747 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.663 8.970 -31.019 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.278 9.483 -32.650 1.00 0.00 H new ATOM 8 N SER A 2 -3.697 11.488 -30.041 1.00 0.00 N ATOM 9 CA SER A 2 -3.207 12.711 -29.417 1.00 0.00 C ATOM 10 C SER A 2 -3.656 12.795 -27.961 1.00 0.00 C ATOM 11 O SER A 2 -4.809 12.511 -27.638 1.00 0.00 O ATOM 12 CB SER A 2 -3.704 13.936 -30.187 1.00 0.00 C ATOM 13 OG SER A 2 -2.964 15.093 -29.838 1.00 0.00 O ATOM 0 H SER A 2 -4.430 11.011 -29.516 1.00 0.00 H new ATOM 0 HA SER A 2 -2.117 12.692 -29.443 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.618 13.755 -31.258 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.761 14.099 -29.975 1.00 0.00 H new ATOM 0 HG SER A 2 -3.300 15.861 -30.345 1.00 0.00 H new ATOM 19 N SER A 3 -2.735 13.188 -27.087 1.00 0.00 N ATOM 20 CA SER A 3 -3.033 13.306 -25.664 1.00 0.00 C ATOM 21 C SER A 3 -2.074 14.282 -24.988 1.00 0.00 C ATOM 22 O SER A 3 -1.145 14.791 -25.613 1.00 0.00 O ATOM 23 CB SER A 3 -2.946 11.937 -24.988 1.00 0.00 C ATOM 24 OG SER A 3 -1.715 11.300 -25.282 1.00 0.00 O ATOM 0 H SER A 3 -1.777 13.430 -27.339 1.00 0.00 H new ATOM 0 HA SER A 3 -4.048 13.690 -25.561 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.050 12.053 -23.909 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.772 11.310 -25.322 1.00 0.00 H new ATOM 0 HG SER A 3 -1.684 10.428 -24.837 1.00 0.00 H new ATOM 30 N GLY A 4 -2.308 14.537 -23.704 1.00 0.00 N ATOM 31 CA GLY A 4 -1.458 15.450 -22.962 1.00 0.00 C ATOM 32 C GLY A 4 -2.046 15.827 -21.617 1.00 0.00 C ATOM 33 O GLY A 4 -3.236 16.124 -21.514 1.00 0.00 O ATOM 0 H GLY A 4 -3.071 14.128 -23.165 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.481 14.991 -22.812 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.299 16.353 -23.551 1.00 0.00 H new ATOM 37 N SER A 5 -1.211 15.813 -20.583 1.00 0.00 N ATOM 38 CA SER A 5 -1.657 16.150 -19.236 1.00 0.00 C ATOM 39 C SER A 5 -0.467 16.302 -18.292 1.00 0.00 C ATOM 40 O SER A 5 0.459 15.491 -18.309 1.00 0.00 O ATOM 41 CB SER A 5 -2.608 15.075 -18.707 1.00 0.00 C ATOM 42 OG SER A 5 -3.242 15.499 -17.512 1.00 0.00 O ATOM 0 H SER A 5 -0.222 15.572 -20.652 1.00 0.00 H new ATOM 0 HA SER A 5 -2.186 17.102 -19.282 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.361 14.848 -19.461 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.055 14.154 -18.522 1.00 0.00 H new ATOM 0 HG SER A 5 -3.846 14.795 -17.195 1.00 0.00 H new ATOM 48 N SER A 6 -0.501 17.346 -17.471 1.00 0.00 N ATOM 49 CA SER A 6 0.575 17.607 -16.522 1.00 0.00 C ATOM 50 C SER A 6 0.059 18.388 -15.317 1.00 0.00 C ATOM 51 O SER A 6 -0.885 19.170 -15.428 1.00 0.00 O ATOM 52 CB SER A 6 1.705 18.384 -17.202 1.00 0.00 C ATOM 53 OG SER A 6 2.453 17.545 -18.064 1.00 0.00 O ATOM 0 H SER A 6 -1.262 18.025 -17.444 1.00 0.00 H new ATOM 0 HA SER A 6 0.960 16.649 -16.174 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.288 19.216 -17.770 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.363 18.813 -16.446 1.00 0.00 H new ATOM 0 HG SER A 6 1.985 16.692 -18.177 1.00 0.00 H new ATOM 59 N GLY A 7 0.687 18.170 -14.166 1.00 0.00 N ATOM 60 CA GLY A 7 0.278 18.860 -12.956 1.00 0.00 C ATOM 61 C GLY A 7 0.314 17.961 -11.736 1.00 0.00 C ATOM 62 O GLY A 7 0.289 16.736 -11.858 1.00 0.00 O ATOM 0 H GLY A 7 1.471 17.528 -14.049 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.931 19.717 -12.792 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.732 19.249 -13.087 1.00 0.00 H new ATOM 66 N MET A 8 0.374 18.569 -10.556 1.00 0.00 N ATOM 67 CA MET A 8 0.413 17.814 -9.308 1.00 0.00 C ATOM 68 C MET A 8 -0.954 17.808 -8.633 1.00 0.00 C ATOM 69 O MET A 8 -1.257 18.677 -7.816 1.00 0.00 O ATOM 70 CB MET A 8 1.460 18.407 -8.362 1.00 0.00 C ATOM 71 CG MET A 8 1.496 17.735 -6.999 1.00 0.00 C ATOM 72 SD MET A 8 2.986 18.136 -6.067 1.00 0.00 S ATOM 73 CE MET A 8 3.905 16.606 -6.224 1.00 0.00 C ATOM 0 H MET A 8 0.397 19.582 -10.437 1.00 0.00 H new ATOM 0 HA MET A 8 0.686 16.785 -9.543 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.444 18.325 -8.825 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.257 19.470 -8.229 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.620 18.039 -6.425 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.433 16.655 -7.129 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.855 16.697 -5.698 1.00 0.00 H new ATOM 0 HE2 MET A 8 3.327 15.789 -5.792 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.092 16.401 -7.278 1.00 0.00 H new ATOM 83 N SER A 9 -1.776 16.823 -8.981 1.00 0.00 N ATOM 84 CA SER A 9 -3.114 16.707 -8.411 1.00 0.00 C ATOM 85 C SER A 9 -3.099 15.824 -7.166 1.00 0.00 C ATOM 86 O SER A 9 -2.125 15.118 -6.904 1.00 0.00 O ATOM 87 CB SER A 9 -4.084 16.133 -9.445 1.00 0.00 C ATOM 88 OG SER A 9 -3.613 14.897 -9.955 1.00 0.00 O ATOM 0 H SER A 9 -1.540 16.094 -9.654 1.00 0.00 H new ATOM 0 HA SER A 9 -3.448 17.704 -8.125 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.064 15.992 -8.990 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.211 16.843 -10.263 1.00 0.00 H new ATOM 0 HG SER A 9 -4.251 14.550 -10.613 1.00 0.00 H new ATOM 94 N SER A 10 -4.185 15.871 -6.402 1.00 0.00 N ATOM 95 CA SER A 10 -4.297 15.079 -5.183 1.00 0.00 C ATOM 96 C SER A 10 -4.197 13.589 -5.492 1.00 0.00 C ATOM 97 O SER A 10 -3.961 13.195 -6.633 1.00 0.00 O ATOM 98 CB SER A 10 -5.621 15.377 -4.476 1.00 0.00 C ATOM 99 OG SER A 10 -6.725 15.050 -5.301 1.00 0.00 O ATOM 0 H SER A 10 -5.000 16.449 -6.606 1.00 0.00 H new ATOM 0 HA SER A 10 -3.472 15.352 -4.525 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.677 14.809 -3.547 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.664 16.433 -4.208 1.00 0.00 H new ATOM 0 HG SER A 10 -7.559 15.248 -4.826 1.00 0.00 H new ATOM 105 N ALA A 11 -4.378 12.765 -4.465 1.00 0.00 N ATOM 106 CA ALA A 11 -4.310 11.318 -4.625 1.00 0.00 C ATOM 107 C ALA A 11 -4.875 10.888 -5.975 1.00 0.00 C ATOM 108 O ALA A 11 -6.083 10.702 -6.122 1.00 0.00 O ATOM 109 CB ALA A 11 -5.057 10.625 -3.494 1.00 0.00 C ATOM 0 H ALA A 11 -4.573 13.075 -3.513 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.261 11.023 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.998 9.545 -3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.607 10.898 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.102 10.935 -3.505 1.00 0.00 H new ATOM 115 N ARG A 12 -3.994 10.733 -6.958 1.00 0.00 N ATOM 116 CA ARG A 12 -4.406 10.327 -8.296 1.00 0.00 C ATOM 117 C ARG A 12 -3.603 9.118 -8.769 1.00 0.00 C ATOM 118 O ARG A 12 -2.470 9.254 -9.230 1.00 0.00 O ATOM 119 CB ARG A 12 -4.231 11.485 -9.280 1.00 0.00 C ATOM 120 CG ARG A 12 -5.138 11.393 -10.496 1.00 0.00 C ATOM 121 CD ARG A 12 -4.491 10.591 -11.614 1.00 0.00 C ATOM 122 NE ARG A 12 -5.357 10.489 -12.786 1.00 0.00 N ATOM 123 CZ ARG A 12 -5.109 9.685 -13.815 1.00 0.00 C ATOM 124 NH1 ARG A 12 -4.028 8.918 -13.815 1.00 0.00 N ATOM 125 NH2 ARG A 12 -5.945 9.648 -14.845 1.00 0.00 N ATOM 0 H ARG A 12 -2.991 10.882 -6.853 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.459 10.049 -8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.426 12.424 -8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.193 11.514 -9.613 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.082 10.928 -10.213 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.371 12.396 -10.854 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.549 11.060 -11.899 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.252 9.591 -11.252 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.198 11.066 -12.816 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.384 8.944 -13.024 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.840 8.302 -14.606 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.778 10.237 -14.847 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.754 9.031 -15.635 1.00 0.00 H new ATOM 139 N PHE A 13 -4.199 7.936 -8.650 1.00 0.00 N ATOM 140 CA PHE A 13 -3.539 6.703 -9.064 1.00 0.00 C ATOM 141 C PHE A 13 -4.541 5.556 -9.160 1.00 0.00 C ATOM 142 O PHE A 13 -5.702 5.698 -8.775 1.00 0.00 O ATOM 143 CB PHE A 13 -2.425 6.341 -8.080 1.00 0.00 C ATOM 144 CG PHE A 13 -2.927 5.978 -6.712 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.326 6.963 -5.822 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.002 4.653 -6.315 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.789 6.632 -4.563 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.464 4.315 -5.057 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.859 5.306 -4.180 1.00 0.00 C ATOM 0 H PHE A 13 -5.137 7.806 -8.271 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.104 6.866 -10.050 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.854 5.504 -8.482 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.739 7.184 -7.995 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.274 8.001 -6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.695 3.874 -6.997 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.096 7.409 -3.879 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.516 3.278 -4.760 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.222 5.045 -3.197 1.00 0.00 H new ATOM 159 N ASP A 14 -4.083 4.420 -9.675 1.00 0.00 N ATOM 160 CA ASP A 14 -4.938 3.248 -9.822 1.00 0.00 C ATOM 161 C ASP A 14 -4.590 2.188 -8.781 1.00 0.00 C ATOM 162 O ASP A 14 -3.714 1.351 -9.002 1.00 0.00 O ATOM 163 CB ASP A 14 -4.801 2.663 -11.229 1.00 0.00 C ATOM 164 CG ASP A 14 -5.323 3.602 -12.299 1.00 0.00 C ATOM 165 OD1 ASP A 14 -6.316 4.311 -12.033 1.00 0.00 O ATOM 166 OD2 ASP A 14 -4.739 3.626 -13.403 1.00 0.00 O ATOM 0 H ASP A 14 -3.125 4.286 -9.998 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.971 3.560 -9.666 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.753 2.439 -11.426 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.344 1.719 -11.282 1.00 0.00 H new ATOM 171 N SER A 15 -5.280 2.231 -7.646 1.00 0.00 N ATOM 172 CA SER A 15 -5.041 1.278 -6.569 1.00 0.00 C ATOM 173 C SER A 15 -5.169 -0.156 -7.074 1.00 0.00 C ATOM 174 O SER A 15 -4.641 -1.089 -6.469 1.00 0.00 O ATOM 175 CB SER A 15 -6.024 1.516 -5.421 1.00 0.00 C ATOM 176 OG SER A 15 -7.342 1.156 -5.796 1.00 0.00 O ATOM 0 H SER A 15 -6.009 2.916 -7.448 1.00 0.00 H new ATOM 0 HA SER A 15 -4.025 1.427 -6.204 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.719 0.936 -4.550 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.000 2.566 -5.129 1.00 0.00 H new ATOM 0 HG SER A 15 -7.951 1.316 -5.045 1.00 0.00 H new ATOM 182 N SER A 16 -5.875 -0.324 -8.188 1.00 0.00 N ATOM 183 CA SER A 16 -6.077 -1.644 -8.774 1.00 0.00 C ATOM 184 C SER A 16 -4.843 -2.086 -9.555 1.00 0.00 C ATOM 185 O SER A 16 -4.429 -3.243 -9.481 1.00 0.00 O ATOM 186 CB SER A 16 -7.300 -1.636 -9.692 1.00 0.00 C ATOM 187 OG SER A 16 -7.122 -0.736 -10.772 1.00 0.00 O ATOM 0 H SER A 16 -6.317 0.438 -8.703 1.00 0.00 H new ATOM 0 HA SER A 16 -6.245 -2.353 -7.963 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.476 -2.640 -10.077 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.185 -1.354 -9.121 1.00 0.00 H new ATOM 0 HG SER A 16 -7.917 -0.751 -11.345 1.00 0.00 H new ATOM 193 N ASP A 17 -4.260 -1.156 -10.304 1.00 0.00 N ATOM 194 CA ASP A 17 -3.073 -1.447 -11.099 1.00 0.00 C ATOM 195 C ASP A 17 -1.892 -1.801 -10.201 1.00 0.00 C ATOM 196 O ASP A 17 -1.183 -0.919 -9.714 1.00 0.00 O ATOM 197 CB ASP A 17 -2.718 -0.250 -11.982 1.00 0.00 C ATOM 198 CG ASP A 17 -1.649 -0.582 -13.004 1.00 0.00 C ATOM 199 OD1 ASP A 17 -0.451 -0.501 -12.658 1.00 0.00 O ATOM 200 OD2 ASP A 17 -2.009 -0.922 -14.150 1.00 0.00 O ATOM 0 H ASP A 17 -4.591 -0.194 -10.377 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.293 -2.304 -11.735 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.614 0.096 -12.497 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.374 0.572 -11.354 1.00 0.00 H new ATOM 205 N ARG A 18 -1.686 -3.096 -9.986 1.00 0.00 N ATOM 206 CA ARG A 18 -0.591 -3.566 -9.145 1.00 0.00 C ATOM 207 C ARG A 18 0.753 -3.079 -9.679 1.00 0.00 C ATOM 208 O ARG A 18 1.640 -2.709 -8.910 1.00 0.00 O ATOM 209 CB ARG A 18 -0.598 -5.094 -9.070 1.00 0.00 C ATOM 210 CG ARG A 18 -1.410 -5.643 -7.908 1.00 0.00 C ATOM 211 CD ARG A 18 -2.018 -6.996 -8.244 1.00 0.00 C ATOM 212 NE ARG A 18 -3.132 -6.879 -9.180 1.00 0.00 N ATOM 213 CZ ARG A 18 -3.660 -7.913 -9.827 1.00 0.00 C ATOM 214 NH1 ARG A 18 -3.178 -9.133 -9.639 1.00 0.00 N ATOM 215 NH2 ARG A 18 -4.673 -7.726 -10.663 1.00 0.00 N ATOM 0 H ARG A 18 -2.262 -3.838 -10.382 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.734 -3.158 -8.144 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.998 -5.493 -10.002 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.429 -5.450 -8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.772 -5.738 -7.029 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.203 -4.940 -7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.251 -7.641 -8.672 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.363 -7.476 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.527 -5.953 -9.347 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.400 -9.280 -8.996 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.585 -9.925 -10.137 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.047 -6.788 -10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.078 -8.520 -11.159 1.00 0.00 H new ATOM 229 N SER A 19 0.895 -3.081 -11.000 1.00 0.00 N ATOM 230 CA SER A 19 2.132 -2.643 -11.637 1.00 0.00 C ATOM 231 C SER A 19 2.358 -1.151 -11.415 1.00 0.00 C ATOM 232 O SER A 19 3.384 -0.601 -11.815 1.00 0.00 O ATOM 233 CB SER A 19 2.095 -2.948 -13.135 1.00 0.00 C ATOM 234 OG SER A 19 3.400 -3.162 -13.645 1.00 0.00 O ATOM 0 H SER A 19 0.169 -3.381 -11.651 1.00 0.00 H new ATOM 0 HA SER A 19 2.959 -3.189 -11.183 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.482 -3.831 -13.314 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.625 -2.120 -13.666 1.00 0.00 H new ATOM 0 HG SER A 19 3.349 -3.357 -14.604 1.00 0.00 H new ATOM 240 N ALA A 20 1.391 -0.501 -10.776 1.00 0.00 N ATOM 241 CA ALA A 20 1.484 0.927 -10.499 1.00 0.00 C ATOM 242 C ALA A 20 1.879 1.181 -9.048 1.00 0.00 C ATOM 243 O ALA A 20 2.491 2.201 -8.731 1.00 0.00 O ATOM 244 CB ALA A 20 0.163 1.613 -10.815 1.00 0.00 C ATOM 0 H ALA A 20 0.534 -0.941 -10.440 1.00 0.00 H new ATOM 0 HA ALA A 20 2.261 1.345 -11.138 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.247 2.679 -10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.078 1.470 -11.868 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.627 1.182 -10.200 1.00 0.00 H new ATOM 250 N TRP A 21 1.526 0.247 -8.172 1.00 0.00 N ATOM 251 CA TRP A 21 1.845 0.370 -6.754 1.00 0.00 C ATOM 252 C TRP A 21 2.556 -0.879 -6.245 1.00 0.00 C ATOM 253 O TRP A 21 3.567 -0.788 -5.549 1.00 0.00 O ATOM 254 CB TRP A 21 0.570 0.612 -5.944 1.00 0.00 C ATOM 255 CG TRP A 21 -0.567 -0.277 -6.345 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.480 -0.045 -7.335 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.914 -1.540 -5.766 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.373 -1.087 -7.405 1.00 0.00 N ATOM 259 CE2 TRP A 21 -2.046 -2.017 -6.454 1.00 0.00 C ATOM 260 CE3 TRP A 21 -0.376 -2.315 -4.734 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.650 -3.233 -6.141 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.976 -3.520 -4.425 1.00 0.00 C ATOM 263 CH2 TRP A 21 -2.103 -3.970 -5.126 1.00 0.00 C ATOM 0 H TRP A 21 1.019 -0.603 -8.418 1.00 0.00 H new ATOM 0 HA TRP A 21 2.514 1.221 -6.630 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.786 0.459 -4.887 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.267 1.652 -6.060 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.497 0.829 -7.969 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.153 -1.157 -8.059 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.493 -1.977 -4.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.519 -3.581 -6.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -0.569 -4.126 -3.629 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.549 -4.917 -4.860 1.00 0.00 H new ATOM 274 N TYR A 22 2.021 -2.043 -6.596 1.00 0.00 N ATOM 275 CA TYR A 22 2.605 -3.311 -6.173 1.00 0.00 C ATOM 276 C TYR A 22 3.980 -3.515 -6.801 1.00 0.00 C ATOM 277 O TYR A 22 4.091 -3.887 -7.969 1.00 0.00 O ATOM 278 CB TYR A 22 1.682 -4.471 -6.549 1.00 0.00 C ATOM 279 CG TYR A 22 2.211 -5.825 -6.131 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.648 -6.051 -4.831 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.274 -6.877 -7.035 1.00 0.00 C ATOM 282 CE1 TYR A 22 3.132 -7.286 -4.445 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.756 -8.116 -6.658 1.00 0.00 C ATOM 284 CZ TYR A 22 3.184 -8.315 -5.362 1.00 0.00 C ATOM 285 OH TYR A 22 3.665 -9.547 -4.981 1.00 0.00 O ATOM 0 H TYR A 22 1.184 -2.135 -7.172 1.00 0.00 H new ATOM 0 HA TYR A 22 2.722 -3.285 -5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.707 -4.313 -6.088 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.529 -4.467 -7.628 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.608 -5.247 -4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.940 -6.724 -8.051 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.468 -7.445 -3.431 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.797 -8.924 -7.374 1.00 0.00 H new ATOM 0 HH TYR A 22 4.470 -9.429 -4.435 1.00 0.00 H new ATOM 295 N MET A 23 5.024 -3.269 -6.017 1.00 0.00 N ATOM 296 CA MET A 23 6.393 -3.427 -6.495 1.00 0.00 C ATOM 297 C MET A 23 6.807 -4.895 -6.482 1.00 0.00 C ATOM 298 O MET A 23 7.890 -5.249 -6.946 1.00 0.00 O ATOM 299 CB MET A 23 7.355 -2.606 -5.635 1.00 0.00 C ATOM 300 CG MET A 23 6.861 -1.197 -5.348 1.00 0.00 C ATOM 301 SD MET A 23 7.404 -0.004 -6.586 1.00 0.00 S ATOM 302 CE MET A 23 5.887 0.906 -6.867 1.00 0.00 C ATOM 0 H MET A 23 4.949 -2.959 -5.048 1.00 0.00 H new ATOM 0 HA MET A 23 6.437 -3.064 -7.522 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.518 -3.125 -4.690 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.320 -2.549 -6.138 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.772 -1.200 -5.305 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.218 -0.884 -4.367 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.070 1.705 -7.585 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.126 0.232 -7.260 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.541 1.335 -5.927 1.00 0.00 H new ATOM 312 N GLY A 24 5.937 -5.746 -5.945 1.00 0.00 N ATOM 313 CA GLY A 24 6.232 -7.166 -5.881 1.00 0.00 C ATOM 314 C GLY A 24 7.719 -7.446 -5.789 1.00 0.00 C ATOM 315 O GLY A 24 8.296 -7.497 -4.703 1.00 0.00 O ATOM 0 H GLY A 24 5.034 -5.478 -5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.730 -7.600 -5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.827 -7.658 -6.765 1.00 0.00 H new ATOM 319 N PRO A 25 8.362 -7.634 -6.951 1.00 0.00 N ATOM 320 CA PRO A 25 9.799 -7.915 -7.023 1.00 0.00 C ATOM 321 C PRO A 25 10.646 -6.707 -6.637 1.00 0.00 C ATOM 322 O PRO A 25 11.177 -6.007 -7.500 1.00 0.00 O ATOM 323 CB PRO A 25 10.017 -8.272 -8.496 1.00 0.00 C ATOM 324 CG PRO A 25 8.913 -7.582 -9.220 1.00 0.00 C ATOM 325 CD PRO A 25 7.737 -7.586 -8.283 1.00 0.00 C ATOM 0 HA PRO A 25 10.095 -8.703 -6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.992 -7.933 -8.845 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.980 -9.350 -8.652 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.197 -6.564 -9.485 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.673 -8.098 -10.149 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.122 -6.695 -8.406 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.090 -8.446 -8.454 1.00 0.00 H new ATOM 333 N VAL A 26 10.768 -6.467 -5.336 1.00 0.00 N ATOM 334 CA VAL A 26 11.552 -5.345 -4.835 1.00 0.00 C ATOM 335 C VAL A 26 12.109 -5.639 -3.446 1.00 0.00 C ATOM 336 O VAL A 26 11.431 -6.232 -2.607 1.00 0.00 O ATOM 337 CB VAL A 26 10.712 -4.055 -4.777 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.379 -3.023 -3.881 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.495 -3.498 -6.176 1.00 0.00 C ATOM 0 H VAL A 26 10.333 -7.035 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 26 12.378 -5.201 -5.531 1.00 0.00 H new ATOM 0 HB VAL A 26 9.738 -4.295 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.771 -2.119 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.478 -3.426 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.367 -2.784 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.900 -2.587 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.459 -3.272 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.970 -4.235 -6.784 1.00 0.00 H new ATOM 349 N SER A 27 13.348 -5.219 -3.210 1.00 0.00 N ATOM 350 CA SER A 27 13.998 -5.440 -1.924 1.00 0.00 C ATOM 351 C SER A 27 13.805 -4.238 -1.004 1.00 0.00 C ATOM 352 O SER A 27 13.492 -3.138 -1.460 1.00 0.00 O ATOM 353 CB SER A 27 15.490 -5.710 -2.122 1.00 0.00 C ATOM 354 OG SER A 27 15.701 -6.940 -2.795 1.00 0.00 O ATOM 0 H SER A 27 13.922 -4.724 -3.893 1.00 0.00 H new ATOM 0 HA SER A 27 13.537 -6.311 -1.457 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.937 -4.897 -2.695 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.991 -5.731 -1.154 1.00 0.00 H new ATOM 0 HG SER A 27 16.663 -7.089 -2.911 1.00 0.00 H new ATOM 360 N ARG A 28 13.993 -4.458 0.293 1.00 0.00 N ATOM 361 CA ARG A 28 13.838 -3.394 1.278 1.00 0.00 C ATOM 362 C ARG A 28 14.764 -2.222 0.962 1.00 0.00 C ATOM 363 O ARG A 28 14.319 -1.080 0.856 1.00 0.00 O ATOM 364 CB ARG A 28 14.130 -3.924 2.683 1.00 0.00 C ATOM 365 CG ARG A 28 13.888 -2.903 3.782 1.00 0.00 C ATOM 366 CD ARG A 28 14.301 -3.441 5.143 1.00 0.00 C ATOM 367 NE ARG A 28 15.749 -3.594 5.255 1.00 0.00 N ATOM 368 CZ ARG A 28 16.340 -4.343 6.179 1.00 0.00 C ATOM 369 NH1 ARG A 28 15.610 -5.005 7.066 1.00 0.00 N ATOM 370 NH2 ARG A 28 17.664 -4.432 6.216 1.00 0.00 N ATOM 0 H ARG A 28 14.253 -5.363 0.686 1.00 0.00 H new ATOM 0 HA ARG A 28 12.807 -3.042 1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.507 -4.799 2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.167 -4.255 2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.447 -1.993 3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.833 -2.631 3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.947 -2.766 5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.821 -4.405 5.313 1.00 0.00 H new ATOM 0 HE ARG A 28 16.339 -3.098 4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.592 -4.940 7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.066 -5.580 7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.228 -3.925 5.534 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.117 -5.007 6.926 1.00 0.00 H new ATOM 384 N GLN A 29 16.052 -2.516 0.815 1.00 0.00 N ATOM 385 CA GLN A 29 17.039 -1.486 0.513 1.00 0.00 C ATOM 386 C GLN A 29 16.579 -0.614 -0.651 1.00 0.00 C ATOM 387 O GLN A 29 16.894 0.573 -0.711 1.00 0.00 O ATOM 388 CB GLN A 29 18.389 -2.126 0.183 1.00 0.00 C ATOM 389 CG GLN A 29 18.352 -3.029 -1.039 1.00 0.00 C ATOM 390 CD GLN A 29 19.640 -3.806 -1.230 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.570 -3.336 -1.886 1.00 0.00 O ATOM 392 NE2 GLN A 29 19.701 -5.002 -0.656 1.00 0.00 N ATOM 0 H GLN A 29 16.436 -3.457 0.900 1.00 0.00 H new ATOM 0 HA GLN A 29 17.149 -0.854 1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 29 19.125 -1.339 0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.727 -2.705 1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.521 -3.728 -0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.161 -2.425 -1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.906 -5.352 -0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.543 -5.570 -0.750 1.00 0.00 H new ATOM 401 N GLU A 30 15.831 -1.213 -1.573 1.00 0.00 N ATOM 402 CA GLU A 30 15.328 -0.490 -2.735 1.00 0.00 C ATOM 403 C GLU A 30 14.110 0.352 -2.367 1.00 0.00 C ATOM 404 O GLU A 30 14.177 1.581 -2.339 1.00 0.00 O ATOM 405 CB GLU A 30 14.966 -1.468 -3.854 1.00 0.00 C ATOM 406 CG GLU A 30 14.364 -0.797 -5.078 1.00 0.00 C ATOM 407 CD GLU A 30 14.462 -1.657 -6.322 1.00 0.00 C ATOM 408 OE1 GLU A 30 13.660 -2.605 -6.454 1.00 0.00 O ATOM 409 OE2 GLU A 30 15.342 -1.382 -7.165 1.00 0.00 O ATOM 0 H GLU A 30 15.560 -2.196 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 30 16.116 0.176 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.861 -2.013 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.259 -2.203 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.317 -0.565 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.872 0.151 -5.255 1.00 0.00 H new ATOM 416 N ALA A 31 12.998 -0.318 -2.085 1.00 0.00 N ATOM 417 CA ALA A 31 11.765 0.367 -1.717 1.00 0.00 C ATOM 418 C ALA A 31 12.056 1.617 -0.893 1.00 0.00 C ATOM 419 O ALA A 31 11.373 2.632 -1.026 1.00 0.00 O ATOM 420 CB ALA A 31 10.848 -0.573 -0.948 1.00 0.00 C ATOM 0 H ALA A 31 12.925 -1.335 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 31 11.263 0.677 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.931 -0.048 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.604 -1.434 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.351 -0.911 -0.042 1.00 0.00 H new ATOM 426 N GLN A 32 13.074 1.534 -0.041 1.00 0.00 N ATOM 427 CA GLN A 32 13.454 2.659 0.805 1.00 0.00 C ATOM 428 C GLN A 32 14.081 3.776 -0.022 1.00 0.00 C ATOM 429 O GLN A 32 13.736 4.948 0.133 1.00 0.00 O ATOM 430 CB GLN A 32 14.430 2.201 1.890 1.00 0.00 C ATOM 431 CG GLN A 32 13.747 1.616 3.116 1.00 0.00 C ATOM 432 CD GLN A 32 14.613 1.691 4.358 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.147 0.682 4.818 1.00 0.00 O ATOM 434 NE2 GLN A 32 14.758 2.891 4.907 1.00 0.00 N ATOM 0 H GLN A 32 13.649 0.701 0.081 1.00 0.00 H new ATOM 0 HA GLN A 32 12.552 3.046 1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.104 1.455 1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.044 3.048 2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 32 12.813 2.149 3.296 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.488 0.575 2.921 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.297 3.701 4.492 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.331 3.003 5.744 1.00 0.00 H new ATOM 443 N THR A 33 15.007 3.405 -0.902 1.00 0.00 N ATOM 444 CA THR A 33 15.684 4.375 -1.753 1.00 0.00 C ATOM 445 C THR A 33 14.694 5.099 -2.658 1.00 0.00 C ATOM 446 O THR A 33 14.959 6.208 -3.123 1.00 0.00 O ATOM 447 CB THR A 33 16.761 3.702 -2.625 1.00 0.00 C ATOM 448 OG1 THR A 33 17.793 4.643 -2.942 1.00 0.00 O ATOM 449 CG2 THR A 33 16.155 3.155 -3.908 1.00 0.00 C ATOM 0 H THR A 33 15.305 2.440 -1.043 1.00 0.00 H new ATOM 0 HA THR A 33 16.161 5.097 -1.091 1.00 0.00 H new ATOM 0 HB THR A 33 17.187 2.872 -2.061 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.474 4.207 -3.495 1.00 0.00 H new ATOM 0 HG21 THR A 33 16.935 2.685 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.391 2.417 -3.664 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.705 3.970 -4.474 1.00 0.00 H new ATOM 457 N ARG A 34 13.551 4.466 -2.903 1.00 0.00 N ATOM 458 CA ARG A 34 12.521 5.050 -3.753 1.00 0.00 C ATOM 459 C ARG A 34 11.650 6.021 -2.962 1.00 0.00 C ATOM 460 O ARG A 34 11.163 7.016 -3.501 1.00 0.00 O ATOM 461 CB ARG A 34 11.651 3.951 -4.366 1.00 0.00 C ATOM 462 CG ARG A 34 12.406 2.661 -4.643 1.00 0.00 C ATOM 463 CD ARG A 34 11.746 1.857 -5.752 1.00 0.00 C ATOM 464 NE ARG A 34 12.241 2.236 -7.073 1.00 0.00 N ATOM 465 CZ ARG A 34 11.813 1.688 -8.204 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.885 0.741 -8.176 1.00 0.00 N ATOM 467 NH2 ARG A 34 12.313 2.086 -9.367 1.00 0.00 N ATOM 0 H ARG A 34 13.315 3.549 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 34 13.015 5.601 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.820 3.739 -3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.220 4.317 -5.298 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.434 2.892 -4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.450 2.061 -3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.929 0.795 -5.588 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.667 2.005 -5.713 1.00 0.00 H new ATOM 0 HE ARG A 34 12.955 2.962 -7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.498 0.432 -7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.558 0.322 -9.046 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.027 2.814 -9.393 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.983 1.664 -10.235 1.00 0.00 H new ATOM 481 N LEU A 35 11.457 5.726 -1.681 1.00 0.00 N ATOM 482 CA LEU A 35 10.644 6.573 -0.815 1.00 0.00 C ATOM 483 C LEU A 35 11.520 7.367 0.148 1.00 0.00 C ATOM 484 O LEU A 35 11.016 8.068 1.025 1.00 0.00 O ATOM 485 CB LEU A 35 9.644 5.722 -0.030 1.00 0.00 C ATOM 486 CG LEU A 35 8.812 4.736 -0.850 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.212 3.666 0.050 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.718 5.467 -1.614 1.00 0.00 C ATOM 0 H LEU A 35 11.852 4.907 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 35 10.098 7.276 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.191 5.162 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.963 6.391 0.497 1.00 0.00 H new ATOM 0 HG LEU A 35 9.468 4.249 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.623 2.973 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.012 3.122 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.570 4.136 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.136 4.749 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.064 5.981 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.169 6.195 -2.288 1.00 0.00 H new ATOM 500 N GLN A 36 12.833 7.254 -0.024 1.00 0.00 N ATOM 501 CA GLN A 36 13.779 7.964 0.829 1.00 0.00 C ATOM 502 C GLN A 36 13.975 9.398 0.349 1.00 0.00 C ATOM 503 O GLN A 36 14.463 9.633 -0.755 1.00 0.00 O ATOM 504 CB GLN A 36 15.123 7.234 0.854 1.00 0.00 C ATOM 505 CG GLN A 36 16.250 8.054 1.461 1.00 0.00 C ATOM 506 CD GLN A 36 16.197 8.086 2.976 1.00 0.00 C ATOM 507 OE1 GLN A 36 16.993 7.431 3.650 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.257 8.850 3.520 1.00 0.00 N ATOM 0 H GLN A 36 13.266 6.678 -0.746 1.00 0.00 H new ATOM 0 HA GLN A 36 13.369 7.991 1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.014 6.308 1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.395 6.956 -0.164 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.207 7.640 1.143 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.200 9.073 1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.619 9.376 2.923 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.173 8.911 4.535 1.00 0.00 H new ATOM 517 N GLY A 37 13.590 10.355 1.189 1.00 0.00 N ATOM 518 CA GLY A 37 13.731 11.755 0.832 1.00 0.00 C ATOM 519 C GLY A 37 12.620 12.236 -0.080 1.00 0.00 C ATOM 520 O GLY A 37 12.561 13.415 -0.427 1.00 0.00 O ATOM 0 H GLY A 37 13.184 10.186 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.739 12.359 1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.692 11.906 0.340 1.00 0.00 H new ATOM 524 N GLN A 38 11.739 11.320 -0.470 1.00 0.00 N ATOM 525 CA GLN A 38 10.626 11.658 -1.350 1.00 0.00 C ATOM 526 C GLN A 38 9.568 12.464 -0.603 1.00 0.00 C ATOM 527 O GLN A 38 9.588 12.547 0.625 1.00 0.00 O ATOM 528 CB GLN A 38 10.002 10.387 -1.928 1.00 0.00 C ATOM 529 CG GLN A 38 10.868 9.707 -2.977 1.00 0.00 C ATOM 530 CD GLN A 38 11.655 10.696 -3.814 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.730 11.146 -3.418 1.00 0.00 O ATOM 532 NE2 GLN A 38 11.121 11.040 -4.981 1.00 0.00 N ATOM 0 H GLN A 38 11.774 10.340 -0.191 1.00 0.00 H new ATOM 0 HA GLN A 38 11.012 12.268 -2.166 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.810 9.685 -1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.037 10.635 -2.370 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.559 9.023 -2.484 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.236 9.106 -3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.227 10.642 -5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.605 11.702 -5.588 1.00 0.00 H new ATOM 541 N ARG A 39 8.644 13.056 -1.354 1.00 0.00 N ATOM 542 CA ARG A 39 7.579 13.857 -0.763 1.00 0.00 C ATOM 543 C ARG A 39 6.664 12.993 0.100 1.00 0.00 C ATOM 544 O ARG A 39 6.609 11.774 -0.063 1.00 0.00 O ATOM 545 CB ARG A 39 6.762 14.546 -1.858 1.00 0.00 C ATOM 546 CG ARG A 39 5.886 13.593 -2.655 1.00 0.00 C ATOM 547 CD ARG A 39 6.619 13.048 -3.871 1.00 0.00 C ATOM 548 NE ARG A 39 7.287 14.104 -4.627 1.00 0.00 N ATOM 549 CZ ARG A 39 8.171 13.871 -5.590 1.00 0.00 C ATOM 550 NH1 ARG A 39 8.492 12.625 -5.914 1.00 0.00 N ATOM 551 NH2 ARG A 39 8.737 14.885 -6.233 1.00 0.00 N ATOM 0 H ARG A 39 8.612 12.996 -2.372 1.00 0.00 H new ATOM 0 HA ARG A 39 8.039 14.616 -0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.132 15.310 -1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.442 15.057 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.572 12.767 -2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.982 14.110 -2.975 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.355 12.311 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.911 12.531 -4.519 1.00 0.00 H new ATOM 0 HE ARG A 39 7.062 15.073 -4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.059 11.843 -5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.171 12.449 -6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.493 15.844 -5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.416 14.705 -6.973 1.00 0.00 H new ATOM 565 N HIS A 40 5.949 13.633 1.020 1.00 0.00 N ATOM 566 CA HIS A 40 5.036 12.923 1.909 1.00 0.00 C ATOM 567 C HIS A 40 3.761 12.523 1.173 1.00 0.00 C ATOM 568 O HIS A 40 3.036 13.373 0.660 1.00 0.00 O ATOM 569 CB HIS A 40 4.689 13.793 3.118 1.00 0.00 C ATOM 570 CG HIS A 40 5.872 14.133 3.971 1.00 0.00 C ATOM 571 ND1 HIS A 40 5.848 15.121 4.932 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.120 13.609 4.004 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.030 15.191 5.519 1.00 0.00 C ATOM 574 NE2 HIS A 40 7.820 14.284 4.974 1.00 0.00 N ATOM 0 H HIS A 40 5.984 14.641 1.169 1.00 0.00 H new ATOM 0 HA HIS A 40 5.535 12.017 2.253 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.225 14.716 2.770 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.949 13.275 3.728 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.043 15.707 5.155 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.495 12.809 3.383 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.303 15.874 6.310 1.00 0.00 H new ATOM 583 N GLY A 41 3.496 11.221 1.124 1.00 0.00 N ATOM 584 CA GLY A 41 2.309 10.730 0.448 1.00 0.00 C ATOM 585 C GLY A 41 2.595 9.520 -0.420 1.00 0.00 C ATOM 586 O GLY A 41 1.691 8.747 -0.734 1.00 0.00 O ATOM 0 H GLY A 41 4.082 10.497 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.553 10.471 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.891 11.525 -0.169 1.00 0.00 H new ATOM 590 N MET A 42 3.855 9.357 -0.808 1.00 0.00 N ATOM 591 CA MET A 42 4.256 8.232 -1.645 1.00 0.00 C ATOM 592 C MET A 42 4.099 6.913 -0.895 1.00 0.00 C ATOM 593 O MET A 42 4.185 6.871 0.332 1.00 0.00 O ATOM 594 CB MET A 42 5.706 8.401 -2.104 1.00 0.00 C ATOM 595 CG MET A 42 6.007 7.724 -3.431 1.00 0.00 C ATOM 596 SD MET A 42 7.646 8.130 -4.062 1.00 0.00 S ATOM 597 CE MET A 42 7.381 9.803 -4.643 1.00 0.00 C ATOM 0 H MET A 42 4.615 9.989 -0.557 1.00 0.00 H new ATOM 0 HA MET A 42 3.605 8.212 -2.519 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.930 9.464 -2.189 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.370 7.996 -1.340 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.926 6.644 -3.310 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.256 8.020 -4.164 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.264 10.406 -4.430 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.200 9.791 -5.718 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.517 10.232 -4.135 1.00 0.00 H new ATOM 607 N PHE A 43 3.869 5.837 -1.640 1.00 0.00 N ATOM 608 CA PHE A 43 3.698 4.517 -1.045 1.00 0.00 C ATOM 609 C PHE A 43 3.958 3.419 -2.073 1.00 0.00 C ATOM 610 O PHE A 43 4.109 3.692 -3.265 1.00 0.00 O ATOM 611 CB PHE A 43 2.287 4.371 -0.472 1.00 0.00 C ATOM 612 CG PHE A 43 1.260 3.983 -1.498 1.00 0.00 C ATOM 613 CD1 PHE A 43 0.655 4.946 -2.289 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.901 2.657 -1.671 1.00 0.00 C ATOM 615 CE1 PHE A 43 -0.290 4.593 -3.234 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.043 2.298 -2.615 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.640 3.267 -3.396 1.00 0.00 C ATOM 0 H PHE A 43 3.797 5.853 -2.657 1.00 0.00 H new ATOM 0 HA PHE A 43 4.423 4.414 -0.238 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.300 3.621 0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.991 5.314 -0.012 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.925 5.984 -2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.364 1.895 -1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.754 5.353 -3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.313 1.260 -2.741 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.379 2.989 -4.132 1.00 0.00 H new ATOM 627 N LEU A 44 4.009 2.178 -1.604 1.00 0.00 N ATOM 628 CA LEU A 44 4.251 1.037 -2.481 1.00 0.00 C ATOM 629 C LEU A 44 4.115 -0.276 -1.717 1.00 0.00 C ATOM 630 O LEU A 44 4.379 -0.338 -0.516 1.00 0.00 O ATOM 631 CB LEU A 44 5.644 1.136 -3.105 1.00 0.00 C ATOM 632 CG LEU A 44 6.823 0.975 -2.144 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.106 -0.497 -1.888 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.059 1.670 -2.696 1.00 0.00 C ATOM 0 H LEU A 44 3.886 1.935 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 44 3.502 1.053 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.727 0.375 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.732 2.105 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 44 6.561 1.443 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.948 -0.592 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.225 -0.966 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.348 -0.990 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.888 1.545 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.324 1.231 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.851 2.732 -2.827 1.00 0.00 H new ATOM 646 N VAL A 45 3.703 -1.325 -2.422 1.00 0.00 N ATOM 647 CA VAL A 45 3.535 -2.638 -1.812 1.00 0.00 C ATOM 648 C VAL A 45 4.427 -3.675 -2.485 1.00 0.00 C ATOM 649 O VAL A 45 4.308 -3.925 -3.685 1.00 0.00 O ATOM 650 CB VAL A 45 2.070 -3.109 -1.888 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.877 -4.385 -1.082 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.133 -2.014 -1.402 1.00 0.00 C ATOM 0 H VAL A 45 3.479 -1.291 -3.417 1.00 0.00 H new ATOM 0 HA VAL A 45 3.823 -2.540 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 45 1.829 -3.326 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.836 -4.703 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.521 -5.168 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.135 -4.199 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.102 -2.364 -1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.371 -1.764 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.253 -1.129 -2.027 1.00 0.00 H new ATOM 662 N ARG A 46 5.319 -4.276 -1.705 1.00 0.00 N ATOM 663 CA ARG A 46 6.232 -5.286 -2.226 1.00 0.00 C ATOM 664 C ARG A 46 6.134 -6.576 -1.417 1.00 0.00 C ATOM 665 O ARG A 46 5.454 -6.628 -0.392 1.00 0.00 O ATOM 666 CB ARG A 46 7.670 -4.765 -2.203 1.00 0.00 C ATOM 667 CG ARG A 46 8.174 -4.429 -0.808 1.00 0.00 C ATOM 668 CD ARG A 46 9.516 -3.715 -0.858 1.00 0.00 C ATOM 669 NE ARG A 46 10.301 -3.941 0.353 1.00 0.00 N ATOM 670 CZ ARG A 46 10.762 -5.133 0.718 1.00 0.00 C ATOM 671 NH1 ARG A 46 10.518 -6.199 -0.030 1.00 0.00 N ATOM 672 NH2 ARG A 46 11.469 -5.258 1.834 1.00 0.00 N ATOM 0 H ARG A 46 5.429 -4.081 -0.710 1.00 0.00 H new ATOM 0 HA ARG A 46 5.947 -5.501 -3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.326 -5.514 -2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.735 -3.874 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.445 -3.800 -0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.269 -5.344 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.079 -4.061 -1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.353 -2.645 -0.990 1.00 0.00 H new ATOM 0 HE ARG A 46 10.507 -3.141 0.951 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.975 -6.106 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.873 -7.112 0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.659 -4.439 2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.823 -6.173 2.114 1.00 0.00 H new ATOM 686 N ASP A 47 6.817 -7.615 -1.885 1.00 0.00 N ATOM 687 CA ASP A 47 6.808 -8.905 -1.205 1.00 0.00 C ATOM 688 C ASP A 47 7.596 -8.838 0.099 1.00 0.00 C ATOM 689 O ASP A 47 8.787 -8.528 0.101 1.00 0.00 O ATOM 690 CB ASP A 47 7.392 -9.988 -2.113 1.00 0.00 C ATOM 691 CG ASP A 47 6.502 -10.289 -3.303 1.00 0.00 C ATOM 692 OD1 ASP A 47 5.270 -10.126 -3.178 1.00 0.00 O ATOM 693 OD2 ASP A 47 7.037 -10.686 -4.359 1.00 0.00 O ATOM 0 H ASP A 47 7.384 -7.589 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 47 5.774 -9.157 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.373 -9.671 -2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.542 -10.900 -1.535 1.00 0.00 H new ATOM 698 N SER A 48 6.923 -9.130 1.207 1.00 0.00 N ATOM 699 CA SER A 48 7.559 -9.097 2.519 1.00 0.00 C ATOM 700 C SER A 48 8.679 -10.130 2.606 1.00 0.00 C ATOM 701 O SER A 48 8.526 -11.266 2.157 1.00 0.00 O ATOM 702 CB SER A 48 6.525 -9.356 3.617 1.00 0.00 C ATOM 703 OG SER A 48 7.059 -9.070 4.898 1.00 0.00 O ATOM 0 H SER A 48 5.937 -9.392 1.223 1.00 0.00 H new ATOM 0 HA SER A 48 7.990 -8.106 2.662 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.642 -8.741 3.442 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.202 -10.396 3.578 1.00 0.00 H new ATOM 0 HG SER A 48 6.379 -9.242 5.582 1.00 0.00 H new ATOM 709 N SER A 49 9.804 -9.726 3.186 1.00 0.00 N ATOM 710 CA SER A 49 10.952 -10.614 3.329 1.00 0.00 C ATOM 711 C SER A 49 10.926 -11.322 4.680 1.00 0.00 C ATOM 712 O SER A 49 11.149 -12.530 4.765 1.00 0.00 O ATOM 713 CB SER A 49 12.255 -9.826 3.178 1.00 0.00 C ATOM 714 OG SER A 49 12.609 -9.682 1.813 1.00 0.00 O ATOM 0 H SER A 49 9.945 -8.790 3.565 1.00 0.00 H new ATOM 0 HA SER A 49 10.898 -11.367 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.143 -8.842 3.634 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.056 -10.336 3.713 1.00 0.00 H new ATOM 0 HG SER A 49 13.444 -9.174 1.743 1.00 0.00 H new ATOM 720 N THR A 50 10.653 -10.561 5.735 1.00 0.00 N ATOM 721 CA THR A 50 10.599 -11.114 7.082 1.00 0.00 C ATOM 722 C THR A 50 9.864 -12.449 7.100 1.00 0.00 C ATOM 723 O THR A 50 10.376 -13.444 7.614 1.00 0.00 O ATOM 724 CB THR A 50 9.906 -10.145 8.059 1.00 0.00 C ATOM 725 OG1 THR A 50 8.630 -9.754 7.539 1.00 0.00 O ATOM 726 CG2 THR A 50 10.763 -8.911 8.297 1.00 0.00 C ATOM 0 H THR A 50 10.466 -9.560 5.682 1.00 0.00 H new ATOM 0 HA THR A 50 11.630 -11.267 7.403 1.00 0.00 H new ATOM 0 HB THR A 50 9.768 -10.660 9.010 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.195 -9.139 8.167 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.253 -8.242 8.990 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.722 -9.210 8.721 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.929 -8.396 7.351 1.00 0.00 H new ATOM 734 N CYS A 51 8.661 -12.464 6.536 1.00 0.00 N ATOM 735 CA CYS A 51 7.854 -13.678 6.488 1.00 0.00 C ATOM 736 C CYS A 51 7.182 -13.830 5.127 1.00 0.00 C ATOM 737 O CYS A 51 6.730 -12.860 4.519 1.00 0.00 O ATOM 738 CB CYS A 51 6.797 -13.657 7.593 1.00 0.00 C ATOM 739 SG CYS A 51 7.446 -14.018 9.242 1.00 0.00 S ATOM 0 H CYS A 51 8.223 -11.649 6.106 1.00 0.00 H new ATOM 0 HA CYS A 51 8.515 -14.531 6.644 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.322 -12.676 7.608 1.00 0.00 H new ATOM 0 HB3 CYS A 51 6.021 -14.384 7.353 1.00 0.00 H new ATOM 0 HG CYS A 51 8.743 -13.937 9.225 1.00 0.00 H new ATOM 745 N PRO A 52 7.116 -15.076 4.636 1.00 0.00 N ATOM 746 CA PRO A 52 6.502 -15.385 3.341 1.00 0.00 C ATOM 747 C PRO A 52 4.988 -15.207 3.360 1.00 0.00 C ATOM 748 O PRO A 52 4.321 -15.581 4.324 1.00 0.00 O ATOM 749 CB PRO A 52 6.864 -16.856 3.118 1.00 0.00 C ATOM 750 CG PRO A 52 7.069 -17.407 4.487 1.00 0.00 C ATOM 751 CD PRO A 52 7.634 -16.280 5.307 1.00 0.00 C ATOM 0 HA PRO A 52 6.857 -14.720 2.553 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.068 -17.385 2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.765 -16.955 2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.129 -17.764 4.909 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.752 -18.256 4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.305 -16.334 6.345 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.724 -16.297 5.316 1.00 0.00 H new ATOM 759 N GLY A 53 4.450 -14.632 2.288 1.00 0.00 N ATOM 760 CA GLY A 53 3.018 -14.415 2.203 1.00 0.00 C ATOM 761 C GLY A 53 2.624 -12.996 2.563 1.00 0.00 C ATOM 762 O GLY A 53 1.934 -12.323 1.798 1.00 0.00 O ATOM 0 H GLY A 53 4.981 -14.313 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.679 -14.637 1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.508 -15.111 2.870 1.00 0.00 H new ATOM 766 N ASP A 54 3.062 -12.541 3.732 1.00 0.00 N ATOM 767 CA ASP A 54 2.751 -11.193 4.193 1.00 0.00 C ATOM 768 C ASP A 54 3.344 -10.147 3.254 1.00 0.00 C ATOM 769 O ASP A 54 4.286 -10.427 2.512 1.00 0.00 O ATOM 770 CB ASP A 54 3.281 -10.981 5.612 1.00 0.00 C ATOM 771 CG ASP A 54 2.565 -11.845 6.632 1.00 0.00 C ATOM 772 OD1 ASP A 54 1.318 -11.891 6.600 1.00 0.00 O ATOM 773 OD2 ASP A 54 3.253 -12.477 7.460 1.00 0.00 O ATOM 0 H ASP A 54 3.633 -13.086 4.378 1.00 0.00 H new ATOM 0 HA ASP A 54 1.667 -11.078 4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.348 -11.204 5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.169 -9.932 5.886 1.00 0.00 H new ATOM 778 N TYR A 55 2.787 -8.942 3.291 1.00 0.00 N ATOM 779 CA TYR A 55 3.258 -7.856 2.441 1.00 0.00 C ATOM 780 C TYR A 55 3.785 -6.696 3.281 1.00 0.00 C ATOM 781 O TYR A 55 3.573 -6.645 4.493 1.00 0.00 O ATOM 782 CB TYR A 55 2.131 -7.368 1.529 1.00 0.00 C ATOM 783 CG TYR A 55 1.805 -8.324 0.404 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.815 -8.920 -0.341 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.488 -8.631 0.086 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.522 -9.794 -1.370 1.00 0.00 C ATOM 787 CE2 TYR A 55 0.186 -9.505 -0.940 1.00 0.00 C ATOM 788 CZ TYR A 55 1.206 -10.084 -1.666 1.00 0.00 C ATOM 789 OH TYR A 55 0.910 -10.954 -2.690 1.00 0.00 O ATOM 0 H TYR A 55 2.008 -8.693 3.901 1.00 0.00 H new ATOM 0 HA TYR A 55 4.074 -8.237 1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.235 -7.206 2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.410 -6.403 1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.846 -8.696 -0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.314 -8.178 0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.319 -10.248 -1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.844 -9.734 -1.173 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.062 -11.050 -2.767 1.00 0.00 H new ATOM 799 N VAL A 56 4.474 -5.766 2.628 1.00 0.00 N ATOM 800 CA VAL A 56 5.031 -4.605 3.312 1.00 0.00 C ATOM 801 C VAL A 56 4.767 -3.325 2.528 1.00 0.00 C ATOM 802 O VAL A 56 5.364 -3.094 1.476 1.00 0.00 O ATOM 803 CB VAL A 56 6.548 -4.757 3.530 1.00 0.00 C ATOM 804 CG1 VAL A 56 7.115 -3.525 4.220 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.848 -6.013 4.333 1.00 0.00 C ATOM 0 H VAL A 56 4.660 -5.794 1.625 1.00 0.00 H new ATOM 0 HA VAL A 56 4.536 -4.542 4.281 1.00 0.00 H new ATOM 0 HB VAL A 56 7.029 -4.852 2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.188 -3.651 4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.933 -2.646 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.630 -3.395 5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.925 -6.104 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.356 -5.951 5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.479 -6.886 3.795 1.00 0.00 H new ATOM 815 N LEU A 57 3.868 -2.496 3.046 1.00 0.00 N ATOM 816 CA LEU A 57 3.524 -1.237 2.394 1.00 0.00 C ATOM 817 C LEU A 57 4.461 -0.119 2.839 1.00 0.00 C ATOM 818 O LEU A 57 4.284 0.465 3.908 1.00 0.00 O ATOM 819 CB LEU A 57 2.075 -0.857 2.707 1.00 0.00 C ATOM 820 CG LEU A 57 1.509 0.330 1.927 1.00 0.00 C ATOM 821 CD1 LEU A 57 0.065 0.592 2.326 1.00 0.00 C ATOM 822 CD2 LEU A 57 2.360 1.571 2.153 1.00 0.00 C ATOM 0 H LEU A 57 3.364 -2.672 3.915 1.00 0.00 H new ATOM 0 HA LEU A 57 3.634 -1.372 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.444 -1.725 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.000 -0.635 3.772 1.00 0.00 H new ATOM 0 HG LEU A 57 1.532 0.086 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.321 1.440 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.537 -0.291 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.017 0.815 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.942 2.406 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.369 1.817 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.379 1.380 1.816 1.00 0.00 H new ATOM 834 N SER A 58 5.459 0.175 2.011 1.00 0.00 N ATOM 835 CA SER A 58 6.426 1.221 2.319 1.00 0.00 C ATOM 836 C SER A 58 5.867 2.597 1.968 1.00 0.00 C ATOM 837 O SER A 58 5.558 2.878 0.810 1.00 0.00 O ATOM 838 CB SER A 58 7.731 0.979 1.559 1.00 0.00 C ATOM 839 OG SER A 58 8.246 -0.313 1.829 1.00 0.00 O ATOM 0 H SER A 58 5.618 -0.297 1.121 1.00 0.00 H new ATOM 0 HA SER A 58 6.627 1.192 3.390 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.558 1.088 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.465 1.733 1.842 1.00 0.00 H new ATOM 0 HG SER A 58 9.080 -0.444 1.330 1.00 0.00 H new ATOM 845 N VAL A 59 5.741 3.453 2.978 1.00 0.00 N ATOM 846 CA VAL A 59 5.222 4.800 2.778 1.00 0.00 C ATOM 847 C VAL A 59 6.273 5.851 3.117 1.00 0.00 C ATOM 848 O VAL A 59 7.204 5.590 3.879 1.00 0.00 O ATOM 849 CB VAL A 59 3.967 5.051 3.634 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.958 6.477 4.165 1.00 0.00 C ATOM 851 CG2 VAL A 59 2.707 4.765 2.831 1.00 0.00 C ATOM 0 H VAL A 59 5.992 3.237 3.943 1.00 0.00 H new ATOM 0 HA VAL A 59 4.957 4.883 1.724 1.00 0.00 H new ATOM 0 HB VAL A 59 3.989 4.371 4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.064 6.635 4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.843 6.642 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.961 7.177 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.830 4.948 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.676 5.417 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.711 3.725 2.506 1.00 0.00 H new ATOM 861 N SER A 60 6.119 7.041 2.545 1.00 0.00 N ATOM 862 CA SER A 60 7.057 8.132 2.784 1.00 0.00 C ATOM 863 C SER A 60 6.437 9.194 3.686 1.00 0.00 C ATOM 864 O SER A 60 5.580 9.965 3.256 1.00 0.00 O ATOM 865 CB SER A 60 7.488 8.761 1.458 1.00 0.00 C ATOM 866 OG SER A 60 8.578 9.647 1.645 1.00 0.00 O ATOM 0 H SER A 60 5.353 7.274 1.913 1.00 0.00 H new ATOM 0 HA SER A 60 7.933 7.722 3.285 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.769 7.977 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.649 9.299 1.017 1.00 0.00 H new ATOM 0 HG SER A 60 9.418 9.174 1.470 1.00 0.00 H new ATOM 872 N GLU A 61 6.877 9.227 4.940 1.00 0.00 N ATOM 873 CA GLU A 61 6.365 10.194 5.904 1.00 0.00 C ATOM 874 C GLU A 61 7.386 10.456 7.007 1.00 0.00 C ATOM 875 O GLU A 61 8.125 9.559 7.410 1.00 0.00 O ATOM 876 CB GLU A 61 5.055 9.692 6.516 1.00 0.00 C ATOM 877 CG GLU A 61 4.585 10.513 7.705 1.00 0.00 C ATOM 878 CD GLU A 61 5.119 9.989 9.024 1.00 0.00 C ATOM 879 OE1 GLU A 61 6.035 9.140 8.996 1.00 0.00 O ATOM 880 OE2 GLU A 61 4.622 10.427 10.082 1.00 0.00 O ATOM 0 H GLU A 61 7.586 8.596 5.312 1.00 0.00 H new ATOM 0 HA GLU A 61 6.177 11.129 5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.279 9.700 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.183 8.656 6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.901 11.548 7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.495 10.514 7.733 1.00 0.00 H new ATOM 887 N ASN A 62 7.422 11.694 7.490 1.00 0.00 N ATOM 888 CA ASN A 62 8.353 12.076 8.546 1.00 0.00 C ATOM 889 C ASN A 62 9.797 11.920 8.079 1.00 0.00 C ATOM 890 O ASN A 62 10.613 11.289 8.751 1.00 0.00 O ATOM 891 CB ASN A 62 8.115 11.227 9.796 1.00 0.00 C ATOM 892 CG ASN A 62 6.954 11.736 10.628 1.00 0.00 C ATOM 893 OD1 ASN A 62 6.470 12.850 10.424 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.500 10.920 11.573 1.00 0.00 N ATOM 0 H ASN A 62 6.818 12.449 7.167 1.00 0.00 H new ATOM 0 HA ASN A 62 8.179 13.124 8.789 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.922 10.196 9.500 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.019 11.220 10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.720 11.208 12.164 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.931 10.005 11.707 1.00 0.00 H new ATOM 901 N SER A 63 10.106 12.502 6.924 1.00 0.00 N ATOM 902 CA SER A 63 11.451 12.426 6.366 1.00 0.00 C ATOM 903 C SER A 63 12.011 11.012 6.488 1.00 0.00 C ATOM 904 O SER A 63 13.220 10.820 6.621 1.00 0.00 O ATOM 905 CB SER A 63 12.377 13.416 7.075 1.00 0.00 C ATOM 906 OG SER A 63 12.768 12.928 8.346 1.00 0.00 O ATOM 0 H SER A 63 9.443 13.031 6.357 1.00 0.00 H new ATOM 0 HA SER A 63 11.394 12.686 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.261 13.594 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.870 14.374 7.190 1.00 0.00 H new ATOM 0 HG SER A 63 12.110 12.274 8.662 1.00 0.00 H new ATOM 912 N ARG A 64 11.122 10.024 6.442 1.00 0.00 N ATOM 913 CA ARG A 64 11.526 8.628 6.549 1.00 0.00 C ATOM 914 C ARG A 64 10.499 7.713 5.888 1.00 0.00 C ATOM 915 O ARG A 64 9.383 8.133 5.584 1.00 0.00 O ATOM 916 CB ARG A 64 11.703 8.237 8.017 1.00 0.00 C ATOM 917 CG ARG A 64 10.391 8.002 8.748 1.00 0.00 C ATOM 918 CD ARG A 64 10.624 7.577 10.189 1.00 0.00 C ATOM 919 NE ARG A 64 9.462 7.842 11.033 1.00 0.00 N ATOM 920 CZ ARG A 64 9.273 7.280 12.221 1.00 0.00 C ATOM 921 NH1 ARG A 64 10.165 6.426 12.704 1.00 0.00 N ATOM 922 NH2 ARG A 64 8.190 7.572 12.930 1.00 0.00 N ATOM 0 H ARG A 64 10.118 10.165 6.331 1.00 0.00 H new ATOM 0 HA ARG A 64 12.478 8.511 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.307 7.331 8.073 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.259 9.023 8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.794 8.914 8.729 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.817 7.234 8.229 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.859 6.513 10.220 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.490 8.106 10.587 1.00 0.00 H new ATOM 0 HE ARG A 64 8.757 8.495 10.691 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.999 6.199 12.163 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.017 5.996 13.617 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.502 8.229 12.562 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.046 7.140 13.843 1.00 0.00 H new ATOM 936 N VAL A 65 10.885 6.460 5.668 1.00 0.00 N ATOM 937 CA VAL A 65 9.998 5.485 5.044 1.00 0.00 C ATOM 938 C VAL A 65 9.215 4.704 6.093 1.00 0.00 C ATOM 939 O VAL A 65 9.765 3.845 6.782 1.00 0.00 O ATOM 940 CB VAL A 65 10.783 4.495 4.163 1.00 0.00 C ATOM 941 CG1 VAL A 65 9.830 3.610 3.375 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.725 5.243 3.231 1.00 0.00 C ATOM 0 H VAL A 65 11.806 6.096 5.913 1.00 0.00 H new ATOM 0 HA VAL A 65 9.303 6.045 4.418 1.00 0.00 H new ATOM 0 HB VAL A 65 11.382 3.855 4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.403 2.917 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.201 3.047 4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.202 4.230 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.272 4.528 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.149 5.909 2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.431 5.829 3.820 1.00 0.00 H new ATOM 952 N SER A 66 7.926 5.008 6.209 1.00 0.00 N ATOM 953 CA SER A 66 7.066 4.337 7.177 1.00 0.00 C ATOM 954 C SER A 66 6.637 2.966 6.664 1.00 0.00 C ATOM 955 O SER A 66 5.649 2.844 5.939 1.00 0.00 O ATOM 956 CB SER A 66 5.833 5.192 7.475 1.00 0.00 C ATOM 957 OG SER A 66 6.144 6.238 8.380 1.00 0.00 O ATOM 0 H SER A 66 7.454 5.715 5.645 1.00 0.00 H new ATOM 0 HA SER A 66 7.634 4.200 8.097 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.446 5.613 6.547 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.045 4.566 7.894 1.00 0.00 H new ATOM 0 HG SER A 66 5.340 6.771 8.553 1.00 0.00 H new ATOM 963 N HIS A 67 7.387 1.937 7.044 1.00 0.00 N ATOM 964 CA HIS A 67 7.084 0.574 6.623 1.00 0.00 C ATOM 965 C HIS A 67 5.825 0.059 7.312 1.00 0.00 C ATOM 966 O HIS A 67 5.844 -0.266 8.500 1.00 0.00 O ATOM 967 CB HIS A 67 8.263 -0.351 6.931 1.00 0.00 C ATOM 968 CG HIS A 67 9.473 -0.079 6.091 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.610 -0.535 4.798 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.605 0.610 6.368 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.775 -0.141 4.315 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.398 0.556 5.248 1.00 0.00 N ATOM 0 H HIS A 67 8.209 2.021 7.642 1.00 0.00 H new ATOM 0 HA HIS A 67 6.910 0.583 5.547 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.530 -0.248 7.983 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.952 -1.385 6.781 1.00 0.00 H new ATOM 0 HD1 HIS A 67 8.920 -1.090 4.292 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.840 1.109 7.296 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.153 -0.353 3.326 1.00 0.00 H new ATOM 981 N TYR A 68 4.732 -0.012 6.561 1.00 0.00 N ATOM 982 CA TYR A 68 3.462 -0.484 7.101 1.00 0.00 C ATOM 983 C TYR A 68 3.225 -1.946 6.735 1.00 0.00 C ATOM 984 O TYR A 68 2.695 -2.252 5.666 1.00 0.00 O ATOM 985 CB TYR A 68 2.311 0.377 6.580 1.00 0.00 C ATOM 986 CG TYR A 68 2.444 1.842 6.929 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.694 2.245 8.235 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.321 2.823 5.953 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.816 3.583 8.559 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.443 4.163 6.267 1.00 0.00 C ATOM 991 CZ TYR A 68 2.690 4.538 7.572 1.00 0.00 C ATOM 992 OH TYR A 68 2.812 5.871 7.890 1.00 0.00 O ATOM 0 H TYR A 68 4.699 0.251 5.576 1.00 0.00 H new ATOM 0 HA TYR A 68 3.505 -0.402 8.187 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.253 0.274 5.496 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.373 -0.001 6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.795 1.500 9.010 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.127 2.533 4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.009 3.879 9.580 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.346 4.913 5.496 1.00 0.00 H new ATOM 0 HH TYR A 68 2.564 6.007 8.828 1.00 0.00 H new ATOM 1002 N ILE A 69 3.619 -2.845 7.630 1.00 0.00 N ATOM 1003 CA ILE A 69 3.448 -4.275 7.403 1.00 0.00 C ATOM 1004 C ILE A 69 1.973 -4.639 7.284 1.00 0.00 C ATOM 1005 O ILE A 69 1.127 -4.084 7.986 1.00 0.00 O ATOM 1006 CB ILE A 69 4.080 -5.104 8.537 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.598 -4.914 8.552 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.727 -6.575 8.377 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.291 -5.671 9.663 1.00 0.00 C ATOM 0 H ILE A 69 4.059 -2.609 8.519 1.00 0.00 H new ATOM 0 HA ILE A 69 3.955 -4.509 6.467 1.00 0.00 H new ATOM 0 HB ILE A 69 3.680 -4.755 9.489 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.006 -5.237 7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.822 -3.852 8.652 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.181 -7.148 9.186 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.644 -6.695 8.410 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.103 -6.937 7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.365 -5.490 9.612 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.911 -5.332 10.627 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.098 -6.738 9.552 1.00 0.00 H new ATOM 1021 N ILE A 70 1.671 -5.577 6.392 1.00 0.00 N ATOM 1022 CA ILE A 70 0.297 -6.018 6.182 1.00 0.00 C ATOM 1023 C ILE A 70 0.136 -7.495 6.526 1.00 0.00 C ATOM 1024 O ILE A 70 0.697 -8.362 5.858 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.152 -5.789 4.727 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.267 -4.291 4.435 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.477 -6.488 4.466 1.00 0.00 C ATOM 1028 CD1 ILE A 70 1.019 -3.674 3.931 1.00 0.00 C ATOM 0 H ILE A 70 2.359 -6.046 5.803 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.331 -5.422 6.845 1.00 0.00 H new ATOM 0 HB ILE A 70 0.598 -6.213 4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.051 -4.132 3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.577 -3.775 5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.781 -6.317 3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.364 -7.558 4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.237 -6.090 5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.864 -2.611 3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.801 -3.801 4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.319 -4.164 3.005 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.636 -7.772 7.572 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.873 -9.145 8.004 1.00 0.00 C ATOM 1042 C ASN A 71 -1.850 -9.849 7.067 1.00 0.00 C ATOM 1043 O ASN A 71 -2.884 -9.292 6.698 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.416 -9.165 9.434 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.419 -8.622 10.439 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.766 -7.817 11.303 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.830 -9.062 10.330 1.00 0.00 N ATOM 0 H ASN A 71 -1.108 -7.065 8.136 1.00 0.00 H new ATOM 0 HA ASN A 71 0.078 -9.678 7.976 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.332 -8.576 9.480 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.681 -10.187 9.705 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.545 -8.732 10.978 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.073 -9.730 9.598 1.00 0.00 H new ATOM 1054 N SER A 72 -1.515 -11.078 6.686 1.00 0.00 N ATOM 1055 CA SER A 72 -2.360 -11.858 5.790 1.00 0.00 C ATOM 1056 C SER A 72 -3.394 -12.658 6.578 1.00 0.00 C ATOM 1057 O SER A 72 -3.045 -13.477 7.429 1.00 0.00 O ATOM 1058 CB SER A 72 -1.506 -12.802 4.942 1.00 0.00 C ATOM 1059 OG SER A 72 -2.301 -13.502 4.001 1.00 0.00 O ATOM 0 H SER A 72 -0.664 -11.555 6.984 1.00 0.00 H new ATOM 0 HA SER A 72 -2.886 -11.166 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.737 -12.232 4.421 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.992 -13.513 5.589 1.00 0.00 H new ATOM 0 HG SER A 72 -1.732 -14.097 3.470 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.667 -12.415 6.287 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.753 -13.112 6.967 1.00 0.00 C ATOM 1067 C LEU A 73 -6.187 -14.344 6.179 1.00 0.00 C ATOM 1068 O LEU A 73 -6.132 -14.376 4.950 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.944 -12.173 7.164 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.623 -10.794 7.742 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -7.853 -9.900 7.704 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.097 -10.921 9.164 1.00 0.00 C ATOM 0 H LEU A 73 -4.973 -11.741 5.585 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.389 -13.436 7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.436 -12.036 6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.662 -12.662 7.822 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.847 -10.336 7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.606 -8.923 8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.186 -9.782 6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.650 -10.353 8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.874 -9.930 9.559 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.851 -11.400 9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.189 -11.524 9.164 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.632 -15.383 6.902 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.087 -16.635 6.291 1.00 0.00 C ATOM 1086 C PRO A 74 -8.403 -16.469 5.539 1.00 0.00 C ATOM 1087 O PRO A 74 -8.747 -17.282 4.683 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.270 -17.569 7.490 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.523 -16.659 8.643 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.725 -15.414 8.371 1.00 0.00 C ATOM 0 HA PRO A 74 -6.381 -17.006 5.548 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.104 -18.253 7.335 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.383 -18.180 7.655 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.585 -16.430 8.734 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.216 -17.122 9.581 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.221 -14.525 8.761 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.740 -15.459 8.835 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.136 -15.409 5.866 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.415 -15.136 5.221 1.00 0.00 C ATOM 1100 C ASN A 75 -10.214 -14.377 3.913 1.00 0.00 C ATOM 1101 O ASN A 75 -11.080 -13.611 3.489 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.320 -14.332 6.157 1.00 0.00 C ATOM 1103 CG ASN A 75 -10.560 -13.266 6.921 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -9.604 -12.682 6.410 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -10.983 -13.007 8.153 1.00 0.00 N ATOM 0 H ASN A 75 -8.866 -14.726 6.573 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.892 -16.090 4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.114 -13.862 5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.800 -15.009 6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.511 -12.299 8.716 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.780 -13.516 8.536 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.067 -14.595 3.279 1.00 0.00 N ATOM 1113 CA ARG A 76 -8.752 -13.931 2.020 1.00 0.00 C ATOM 1114 C ARG A 76 -8.838 -12.415 2.168 1.00 0.00 C ATOM 1115 O ARG A 76 -9.432 -11.732 1.333 1.00 0.00 O ATOM 1116 CB ARG A 76 -9.704 -14.402 0.918 1.00 0.00 C ATOM 1117 CG ARG A 76 -9.225 -15.648 0.191 1.00 0.00 C ATOM 1118 CD ARG A 76 -9.644 -15.635 -1.271 1.00 0.00 C ATOM 1119 NE ARG A 76 -8.629 -15.025 -2.125 1.00 0.00 N ATOM 1120 CZ ARG A 76 -8.789 -14.827 -3.429 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -9.916 -15.190 -4.025 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -7.819 -14.266 -4.140 1.00 0.00 N ATOM 0 H ARG A 76 -8.340 -15.226 3.616 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.731 -14.194 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.683 -14.600 1.355 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.835 -13.597 0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.139 -15.716 0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.631 -16.534 0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.832 -16.656 -1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.581 -15.088 -1.375 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.749 -14.735 -1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.663 -15.623 -3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.036 -15.037 -5.026 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.950 -13.986 -3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.943 -14.114 -5.141 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.243 -11.895 3.236 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.254 -10.460 3.495 1.00 0.00 C ATOM 1138 C ARG A 77 -6.942 -10.012 4.132 1.00 0.00 C ATOM 1139 O ARG A 77 -6.242 -10.806 4.761 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.427 -10.094 4.406 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.748 -9.946 3.669 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.906 -9.749 4.635 1.00 0.00 C ATOM 1143 NE ARG A 77 -11.884 -8.427 5.254 1.00 0.00 N ATOM 1144 CZ ARG A 77 -12.756 -8.032 6.175 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -13.713 -8.854 6.582 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -12.671 -6.813 6.692 1.00 0.00 N ATOM 0 H ARG A 77 -7.747 -12.446 3.936 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.369 -9.945 2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.533 -10.861 5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.200 -9.159 4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.693 -9.097 2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.927 -10.832 3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.848 -9.885 4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.865 -10.513 5.411 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.159 -7.771 4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.781 -9.792 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.381 -8.548 7.289 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.935 -6.178 6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.341 -6.511 7.399 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.615 -8.735 3.965 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.386 -8.182 4.522 1.00 0.00 C ATOM 1162 C PHE A 78 -5.679 -7.361 5.775 1.00 0.00 C ATOM 1163 O PHE A 78 -6.755 -6.780 5.913 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.677 -7.311 3.482 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.136 -8.090 2.317 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -2.872 -8.656 2.372 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -4.891 -8.256 1.168 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -2.372 -9.372 1.301 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -4.396 -8.972 0.094 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.135 -9.531 0.161 1.00 0.00 C ATOM 0 H PHE A 78 -7.184 -8.064 3.449 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.734 -9.012 4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.374 -6.559 3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.858 -6.777 3.964 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.271 -8.536 3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.878 -7.821 1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.385 -9.807 1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.995 -9.094 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.746 -10.091 -0.676 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.712 -7.318 6.685 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.863 -6.569 7.927 1.00 0.00 C ATOM 1182 C LYS A 79 -3.632 -5.711 8.198 1.00 0.00 C ATOM 1183 O LYS A 79 -2.597 -6.214 8.637 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.098 -7.526 9.098 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.013 -6.855 10.458 1.00 0.00 C ATOM 1186 CD LYS A 79 -4.813 -7.871 11.570 1.00 0.00 C ATOM 1187 CE LYS A 79 -5.366 -7.365 12.894 1.00 0.00 C ATOM 1188 NZ LYS A 79 -6.814 -7.680 13.047 1.00 0.00 N ATOM 0 H LYS A 79 -3.815 -7.793 6.586 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.726 -5.912 7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.081 -7.985 8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.364 -8.330 9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.188 -6.143 10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.925 -6.287 10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.305 -8.806 11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.751 -8.089 11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.808 -7.814 13.716 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.220 -6.287 12.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.316 -6.842 13.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.209 -7.952 12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.929 -8.466 13.718 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.750 -4.414 7.934 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.647 -3.486 8.152 1.00 0.00 C ATOM 1204 C ILE A 80 -2.648 -2.959 9.583 1.00 0.00 C ATOM 1205 O ILE A 80 -3.457 -2.105 9.941 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.712 -2.296 7.178 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.750 -1.192 7.622 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -4.134 -1.761 7.088 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.320 -0.277 6.497 1.00 0.00 C ATOM 0 H ILE A 80 -4.599 -3.982 7.569 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.726 -4.041 7.972 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.410 -2.639 6.189 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.227 -0.597 8.401 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.866 -1.649 8.066 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.163 -0.920 6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.797 -2.549 6.730 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.462 -1.431 8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.639 0.481 6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.814 -0.860 5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.196 0.208 6.067 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.731 -3.473 10.398 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.641 -3.041 11.780 1.00 0.00 C ATOM 1223 C GLY A 81 -2.823 -3.502 12.610 1.00 0.00 C ATOM 1224 O GLY A 81 -2.886 -4.659 13.024 1.00 0.00 O ATOM 0 H GLY A 81 -1.049 -4.181 10.125 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.721 -3.426 12.219 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.579 -1.953 11.814 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.762 -2.594 12.855 1.00 0.00 N ATOM 1229 CA ASP A 82 -4.948 -2.914 13.641 1.00 0.00 C ATOM 1230 C ASP A 82 -6.216 -2.725 12.814 1.00 0.00 C ATOM 1231 O ASP A 82 -7.315 -2.630 13.360 1.00 0.00 O ATOM 1232 CB ASP A 82 -5.006 -2.038 14.894 1.00 0.00 C ATOM 1233 CG ASP A 82 -3.916 -2.381 15.891 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -4.115 -3.324 16.685 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -2.866 -1.706 15.877 1.00 0.00 O ATOM 0 H ASP A 82 -3.725 -1.631 12.521 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.884 -3.960 13.940 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.915 -0.991 14.606 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.980 -2.154 15.370 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.054 -2.670 11.496 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.186 -2.490 10.595 1.00 0.00 C ATOM 1242 C GLN A 83 -7.271 -3.637 9.593 1.00 0.00 C ATOM 1243 O GLN A 83 -6.312 -4.386 9.410 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.068 -1.157 9.853 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.157 0.056 10.765 1.00 0.00 C ATOM 1246 CD GLN A 83 -8.526 0.211 11.398 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -9.372 -0.679 11.300 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -8.751 1.344 12.052 1.00 0.00 N ATOM 0 H GLN A 83 -5.151 -2.747 11.029 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.097 -2.485 11.193 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.118 -1.131 9.319 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.857 -1.097 9.104 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.405 -0.028 11.550 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.921 0.954 10.193 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.021 2.054 12.108 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.654 1.504 12.499 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.426 -3.768 8.947 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.636 -4.824 7.964 1.00 0.00 C ATOM 1259 C GLU A 84 -9.419 -4.303 6.763 1.00 0.00 C ATOM 1260 O GLU A 84 -10.203 -3.361 6.881 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.378 -6.002 8.600 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.694 -6.556 9.838 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.522 -7.617 10.536 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.763 -7.476 10.569 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -8.929 -8.589 11.049 1.00 0.00 O ATOM 0 H GLU A 84 -9.230 -3.156 9.087 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.659 -5.163 7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.387 -5.685 8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.477 -6.799 7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.730 -6.979 9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.494 -5.741 10.533 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.201 -4.922 5.608 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.884 -4.520 4.384 1.00 0.00 C ATOM 1274 C PHE A 85 -10.256 -5.738 3.544 1.00 0.00 C ATOM 1275 O PHE A 85 -10.026 -6.878 3.948 1.00 0.00 O ATOM 1276 CB PHE A 85 -9.001 -3.573 3.569 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.749 -2.256 4.245 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.621 -1.194 4.070 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.641 -2.081 5.058 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.391 0.019 4.691 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.405 -0.870 5.682 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.282 0.181 5.499 1.00 0.00 C ATOM 0 H PHE A 85 -8.557 -5.704 5.494 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.800 -4.000 4.663 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.046 -4.060 3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.472 -3.392 2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.491 -1.315 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.953 -2.900 5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.078 0.840 4.545 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.536 -0.746 6.312 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.101 1.128 5.986 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.831 -5.488 2.372 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.234 -6.563 1.473 1.00 0.00 C ATOM 1294 C ASP A 86 -10.058 -7.027 0.620 1.00 0.00 C ATOM 1295 O ASP A 86 -9.994 -8.187 0.210 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.382 -6.101 0.574 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.292 -7.243 0.166 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -12.787 -8.372 -0.007 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -14.509 -7.007 0.019 1.00 0.00 O ATOM 0 H ASP A 86 -11.028 -4.550 2.023 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.573 -7.403 2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.966 -5.343 1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.973 -5.629 -0.319 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.129 -6.114 0.354 1.00 0.00 N ATOM 1305 CA HIS A 87 -7.955 -6.430 -0.452 1.00 0.00 C ATOM 1306 C HIS A 87 -7.002 -5.240 -0.512 1.00 0.00 C ATOM 1307 O HIS A 87 -7.225 -4.219 0.139 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.375 -6.834 -1.866 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.558 -6.074 -2.380 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.481 -4.769 -2.820 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.852 -6.442 -2.525 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.677 -4.367 -3.211 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.527 -5.364 -3.043 1.00 0.00 N ATOM 0 H HIS A 87 -9.166 -5.150 0.685 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.436 -7.266 0.017 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.534 -6.682 -2.543 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.605 -7.899 -1.877 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.275 -7.405 -2.279 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.919 -3.390 -3.602 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.523 -5.338 -3.262 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.939 -5.380 -1.296 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.950 -4.317 -1.441 1.00 0.00 C ATOM 1324 C LEU A 88 -5.605 -3.026 -1.921 1.00 0.00 C ATOM 1325 O LEU A 88 -5.562 -1.993 -1.252 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.855 -4.742 -2.421 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.600 -5.357 -1.801 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.973 -4.398 -0.801 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -2.931 -6.684 -1.133 1.00 0.00 C ATOM 0 H LEU A 88 -5.740 -6.219 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.503 -4.134 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.281 -5.462 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.558 -3.870 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.879 -5.542 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.081 -4.853 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.700 -3.472 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.688 -4.180 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.026 -7.108 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.670 -6.522 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.334 -7.374 -1.874 1.00 0.00 H new ATOM 1341 N PRO A 89 -6.227 -3.084 -3.108 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.906 -1.928 -3.703 1.00 0.00 C ATOM 1343 C PRO A 89 -8.173 -1.547 -2.946 1.00 0.00 C ATOM 1344 O PRO A 89 -8.952 -0.710 -3.401 1.00 0.00 O ATOM 1345 CB PRO A 89 -7.250 -2.408 -5.115 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.327 -3.891 -5.003 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.317 -4.281 -3.960 1.00 0.00 C ATOM 0 HA PRO A 89 -6.283 -1.034 -3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.196 -1.987 -5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.488 -2.104 -5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.329 -4.209 -4.714 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.105 -4.366 -5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.641 -5.154 -3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.354 -4.530 -4.406 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.374 -2.167 -1.787 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.546 -1.891 -0.966 1.00 0.00 C ATOM 1357 C ALA A 90 -9.176 -1.060 0.257 1.00 0.00 C ATOM 1358 O ALA A 90 -10.023 -0.379 0.838 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.211 -3.192 -0.541 1.00 0.00 C ATOM 0 H ALA A 90 -7.740 -2.864 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.251 -1.314 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.085 -2.971 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.520 -3.749 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.505 -3.790 0.036 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.907 -1.119 0.645 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.424 -0.371 1.801 1.00 0.00 C ATOM 1367 C LEU A 91 -6.759 0.931 1.368 1.00 0.00 C ATOM 1368 O LEU A 91 -6.944 1.974 1.996 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.436 -1.219 2.605 1.00 0.00 C ATOM 1370 CG LEU A 91 -5.048 -1.395 1.990 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -4.128 -0.262 2.414 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.457 -2.741 2.385 1.00 0.00 C ATOM 0 H LEU A 91 -7.194 -1.677 0.176 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.281 -0.128 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.320 -0.769 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.873 -2.206 2.755 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.147 -1.368 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.145 -0.405 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.544 0.689 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.035 -0.256 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.469 -2.850 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.373 -2.797 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.106 -3.542 2.030 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.986 0.865 0.290 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.294 2.040 -0.230 1.00 0.00 C ATOM 1386 C LEU A 92 -6.289 3.123 -0.632 1.00 0.00 C ATOM 1387 O LEU A 92 -6.025 4.314 -0.465 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.427 1.656 -1.430 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.532 0.430 -1.248 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -3.112 -0.130 -2.598 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.311 0.782 -0.410 1.00 0.00 C ATOM 0 H LEU A 92 -5.822 0.010 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.655 2.435 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.081 1.479 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.795 2.507 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.100 -0.337 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.476 -1.002 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.998 -0.420 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.561 0.630 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.685 -0.102 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.741 1.566 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.632 1.135 0.570 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.434 2.702 -1.160 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.469 3.638 -1.584 1.00 0.00 C ATOM 1405 C GLU A 93 -9.159 4.269 -0.379 1.00 0.00 C ATOM 1406 O GLU A 93 -9.709 5.367 -0.468 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.501 2.928 -2.463 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.208 1.779 -1.764 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.542 1.440 -2.400 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -11.610 1.389 -3.646 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -12.518 1.226 -1.651 1.00 0.00 O ATOM 0 H GLU A 93 -7.668 1.720 -1.304 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.992 4.429 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.244 3.653 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.005 2.549 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.567 0.898 -1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.364 2.037 -0.717 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.127 3.566 0.749 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.750 4.056 1.973 1.00 0.00 C ATOM 1420 C PHE A 94 -8.818 5.010 2.714 1.00 0.00 C ATOM 1421 O PHE A 94 -9.269 5.907 3.427 1.00 0.00 O ATOM 1422 CB PHE A 94 -10.128 2.885 2.882 1.00 0.00 C ATOM 1423 CG PHE A 94 -11.044 3.271 4.008 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.394 3.479 3.780 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.554 3.425 5.295 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.239 3.835 4.815 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.394 3.780 6.334 1.00 0.00 C ATOM 1428 CZ PHE A 94 -12.738 3.985 6.093 1.00 0.00 C ATOM 0 H PHE A 94 -8.676 2.656 0.840 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.654 4.600 1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.608 2.111 2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.219 2.449 3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.791 3.362 2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.503 3.266 5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.290 3.996 4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.000 3.897 7.333 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.396 4.262 6.903 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.517 4.809 2.541 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.520 5.649 3.195 1.00 0.00 C ATOM 1440 C TYR A 95 -6.341 6.966 2.446 1.00 0.00 C ATOM 1441 O TYR A 95 -5.825 7.940 2.994 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.182 4.913 3.283 1.00 0.00 C ATOM 1443 CG TYR A 95 -5.034 4.073 4.532 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.026 4.660 5.791 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.901 2.692 4.452 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -4.890 3.897 6.934 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.767 1.921 5.590 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.762 2.527 6.829 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.627 1.763 7.964 1.00 0.00 O ATOM 0 H TYR A 95 -7.127 4.072 1.953 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.872 5.870 4.202 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.072 4.272 2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.373 5.642 3.248 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.128 5.732 5.877 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.902 2.214 3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.884 4.370 7.905 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.667 0.849 5.510 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.787 0.821 7.745 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.772 6.988 1.189 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.662 8.184 0.363 1.00 0.00 C ATOM 1461 C LYS A 96 -7.281 9.389 1.065 1.00 0.00 C ATOM 1462 O LYS A 96 -7.019 10.534 0.698 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.347 7.960 -0.987 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.514 7.149 -1.965 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.345 6.674 -3.145 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.458 7.749 -4.215 1.00 0.00 C ATOM 1467 NZ LYS A 96 -8.300 8.892 -3.767 1.00 0.00 N ATOM 0 H LYS A 96 -7.201 6.190 0.720 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.604 8.386 0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.297 7.451 -0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.577 8.928 -1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.682 7.754 -2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.084 6.289 -1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.893 5.779 -3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.341 6.395 -2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.463 8.111 -4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.885 7.317 -5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.795 9.300 -4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.997 8.558 -3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.696 9.618 -3.331 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.100 9.122 2.077 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.752 10.185 2.831 1.00 0.00 C ATOM 1483 C ILE A 97 -8.256 10.220 4.273 1.00 0.00 C ATOM 1484 O ILE A 97 -8.154 11.287 4.879 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.283 10.017 2.831 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.673 8.691 3.488 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.824 10.091 1.411 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.156 8.564 3.759 1.00 0.00 C ATOM 0 H ILE A 97 -8.327 8.179 2.393 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.497 11.123 2.339 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.723 10.830 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.358 7.870 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.130 8.587 4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -11.907 9.971 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.573 11.058 0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.380 9.297 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.359 7.600 4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.474 9.364 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.705 8.636 2.820 1.00 0.00 H new ATOM 1500 N HIS A 98 -7.948 9.047 4.816 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.459 8.943 6.186 1.00 0.00 C ATOM 1502 C HIS A 98 -5.950 9.162 6.243 1.00 0.00 C ATOM 1503 O HIS A 98 -5.245 8.956 5.255 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.810 7.576 6.773 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.259 7.428 7.123 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -9.839 6.216 7.430 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.245 8.351 7.217 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.121 6.398 7.695 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.392 7.685 7.573 1.00 0.00 N ATOM 0 H HIS A 98 -8.028 8.155 4.328 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.944 9.719 6.778 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.537 6.801 6.057 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.210 7.409 7.667 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.148 9.413 7.044 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -11.827 5.626 7.965 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.305 8.115 7.720 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.462 9.581 7.405 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.037 9.831 7.589 1.00 0.00 C ATOM 1520 C TYR A 99 -3.407 8.762 8.476 1.00 0.00 C ATOM 1521 O TYR A 99 -3.802 8.581 9.628 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.816 11.214 8.204 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.457 12.336 7.418 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.838 12.417 7.287 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.682 13.313 6.807 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.428 13.440 6.569 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -4.263 14.340 6.088 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.636 14.399 5.972 1.00 0.00 C ATOM 1529 OH TYR A 99 -6.219 15.419 5.256 1.00 0.00 O ATOM 0 H TYR A 99 -6.031 9.755 8.233 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.558 9.795 6.610 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.214 11.219 9.219 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.745 11.401 8.281 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.461 11.668 7.754 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.607 13.269 6.895 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.503 13.488 6.476 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.646 15.092 5.620 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.522 16.010 4.901 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.423 8.055 7.930 1.00 0.00 N ATOM 1540 CA LEU A 100 -1.735 7.003 8.670 1.00 0.00 C ATOM 1541 C LEU A 100 -1.017 7.574 9.889 1.00 0.00 C ATOM 1542 O LEU A 100 -1.440 7.366 11.026 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.733 6.286 7.764 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.305 5.669 6.487 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.264 5.675 5.378 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.797 4.254 6.752 1.00 0.00 C ATOM 0 H LEU A 100 -2.084 8.191 6.978 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.482 6.287 9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.045 6.996 7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.252 5.496 8.341 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.153 6.272 6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.689 5.232 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.039 6.701 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.605 5.096 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.201 3.831 5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.967 3.639 7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.576 4.276 7.514 1.00 0.00 H new ATOM 1558 N ASP A 101 0.071 8.297 9.643 1.00 0.00 N ATOM 1559 CA ASP A 101 0.846 8.902 10.720 1.00 0.00 C ATOM 1560 C ASP A 101 0.692 10.420 10.714 1.00 0.00 C ATOM 1561 O ASP A 101 0.078 10.996 11.613 1.00 0.00 O ATOM 1562 CB ASP A 101 2.323 8.526 10.587 1.00 0.00 C ATOM 1563 CG ASP A 101 2.637 7.182 11.216 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.955 6.194 10.874 1.00 0.00 O ATOM 1565 OD2 ASP A 101 3.564 7.119 12.050 1.00 0.00 O ATOM 0 H ASP A 101 0.436 8.478 8.708 1.00 0.00 H new ATOM 0 HA ASP A 101 0.466 8.520 11.667 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.595 8.503 9.532 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.935 9.296 11.057 1.00 0.00 H new ATOM 1570 N THR A 102 1.255 11.063 9.696 1.00 0.00 N ATOM 1571 CA THR A 102 1.183 12.513 9.574 1.00 0.00 C ATOM 1572 C THR A 102 0.733 12.926 8.177 1.00 0.00 C ATOM 1573 O THR A 102 0.666 14.114 7.860 1.00 0.00 O ATOM 1574 CB THR A 102 2.542 13.171 9.878 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.345 14.513 10.338 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.429 13.178 8.642 1.00 0.00 C ATOM 0 H THR A 102 1.766 10.602 8.944 1.00 0.00 H new ATOM 0 HA THR A 102 0.450 12.855 10.305 1.00 0.00 H new ATOM 0 HB THR A 102 3.036 12.590 10.657 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.707 14.970 9.751 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.383 13.648 8.881 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.602 12.154 8.312 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.939 13.738 7.846 1.00 0.00 H new ATOM 1584 N THR A 103 0.424 11.937 7.344 1.00 0.00 N ATOM 1585 CA THR A 103 -0.019 12.198 5.980 1.00 0.00 C ATOM 1586 C THR A 103 -0.845 11.036 5.439 1.00 0.00 C ATOM 1587 O THR A 103 -0.972 9.996 6.086 1.00 0.00 O ATOM 1588 CB THR A 103 1.174 12.446 5.039 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.708 12.919 3.770 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.985 11.174 4.845 1.00 0.00 C ATOM 0 H THR A 103 0.472 10.948 7.590 1.00 0.00 H new ATOM 0 HA THR A 103 -0.637 13.095 6.015 1.00 0.00 H new ATOM 0 HB THR A 103 1.815 13.201 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.473 13.076 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.822 11.375 4.176 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.364 10.833 5.809 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.351 10.401 4.411 1.00 0.00 H new ATOM 1598 N THR A 104 -1.405 11.218 4.247 1.00 0.00 N ATOM 1599 CA THR A 104 -2.219 10.185 3.619 1.00 0.00 C ATOM 1600 C THR A 104 -1.545 9.642 2.364 1.00 0.00 C ATOM 1601 O THR A 104 -0.483 10.118 1.961 1.00 0.00 O ATOM 1602 CB THR A 104 -3.615 10.718 3.249 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.534 11.529 2.071 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.204 11.532 4.391 1.00 0.00 C ATOM 0 H THR A 104 -1.309 12.072 3.697 1.00 0.00 H new ATOM 0 HA THR A 104 -2.327 9.381 4.347 1.00 0.00 H new ATOM 0 HB THR A 104 -4.266 9.865 3.058 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.426 11.863 1.842 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.190 11.898 4.106 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.292 10.904 5.278 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.552 12.378 4.609 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.169 8.644 1.748 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.630 8.036 0.537 1.00 0.00 C ATOM 1614 C LEU A 105 -2.028 8.838 -0.698 1.00 0.00 C ATOM 1615 O LEU A 105 -3.202 8.889 -1.066 1.00 0.00 O ATOM 1616 CB LEU A 105 -2.124 6.594 0.403 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.791 5.660 1.567 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.300 4.255 1.286 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.292 5.644 1.826 1.00 0.00 C ATOM 0 H LEU A 105 -3.049 8.239 2.067 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.543 8.036 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.206 6.612 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.703 6.170 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.290 6.033 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.054 3.604 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.381 4.280 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.830 3.872 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.074 4.974 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.228 5.296 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.045 6.651 2.073 1.00 0.00 H new ATOM 1631 N ILE A 106 -1.042 9.462 -1.335 1.00 0.00 N ATOM 1632 CA ILE A 106 -1.289 10.258 -2.530 1.00 0.00 C ATOM 1633 C ILE A 106 -1.136 9.417 -3.793 1.00 0.00 C ATOM 1634 O ILE A 106 -2.118 9.110 -4.468 1.00 0.00 O ATOM 1635 CB ILE A 106 -0.333 11.463 -2.611 1.00 0.00 C ATOM 1636 CG1 ILE A 106 -0.448 12.319 -1.348 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.631 12.294 -3.850 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.753 13.078 -1.250 1.00 0.00 C ATOM 0 H ILE A 106 -0.065 9.431 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.314 10.621 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 106 0.689 11.092 -2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.343 11.677 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.379 13.029 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.053 13.142 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.502 11.679 -4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.657 12.658 -3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.765 13.663 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.851 13.745 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.584 12.373 -1.243 1.00 0.00 H new ATOM 1650 N GLU A 107 0.102 9.046 -4.105 1.00 0.00 N ATOM 1651 CA GLU A 107 0.382 8.239 -5.286 1.00 0.00 C ATOM 1652 C GLU A 107 1.524 7.262 -5.020 1.00 0.00 C ATOM 1653 O GLU A 107 2.438 7.535 -4.240 1.00 0.00 O ATOM 1654 CB GLU A 107 0.731 9.137 -6.474 1.00 0.00 C ATOM 1655 CG GLU A 107 2.034 9.900 -6.298 1.00 0.00 C ATOM 1656 CD GLU A 107 2.273 10.910 -7.404 1.00 0.00 C ATOM 1657 OE1 GLU A 107 2.695 10.498 -8.504 1.00 0.00 O ATOM 1658 OE2 GLU A 107 2.037 12.113 -7.167 1.00 0.00 O ATOM 0 H GLU A 107 0.926 9.291 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.515 7.667 -5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.796 8.526 -7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.079 9.849 -6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.022 10.415 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.864 9.193 -6.271 1.00 0.00 H new ATOM 1665 N PRO A 108 1.472 6.097 -5.681 1.00 0.00 N ATOM 1666 CA PRO A 108 2.494 5.056 -5.532 1.00 0.00 C ATOM 1667 C PRO A 108 3.827 5.460 -6.152 1.00 0.00 C ATOM 1668 O PRO A 108 3.873 5.978 -7.267 1.00 0.00 O ATOM 1669 CB PRO A 108 1.896 3.863 -6.282 1.00 0.00 C ATOM 1670 CG PRO A 108 0.965 4.467 -7.275 1.00 0.00 C ATOM 1671 CD PRO A 108 0.412 5.705 -6.625 1.00 0.00 C ATOM 0 HA PRO A 108 2.718 4.851 -4.485 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.672 3.275 -6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.370 3.192 -5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.487 4.712 -8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.166 3.772 -7.534 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.215 6.489 -7.356 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.529 5.504 -6.112 1.00 0.00 H new ATOM 1679 N ALA A 109 4.911 5.220 -5.421 1.00 0.00 N ATOM 1680 CA ALA A 109 6.246 5.557 -5.900 1.00 0.00 C ATOM 1681 C ALA A 109 6.405 5.202 -7.374 1.00 0.00 C ATOM 1682 O ALA A 109 5.734 4.314 -7.901 1.00 0.00 O ATOM 1683 CB ALA A 109 7.301 4.844 -5.067 1.00 0.00 C ATOM 0 H ALA A 109 4.891 4.793 -4.495 1.00 0.00 H new ATOM 0 HA ALA A 109 6.382 6.633 -5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.293 5.105 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.209 5.150 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.157 3.766 -5.143 1.00 0.00 H new ATOM 1689 N PRO A 110 7.315 5.912 -8.059 1.00 0.00 N ATOM 1690 CA PRO A 110 7.583 5.690 -9.483 1.00 0.00 C ATOM 1691 C PRO A 110 8.283 4.360 -9.740 1.00 0.00 C ATOM 1692 O PRO A 110 9.024 3.863 -8.892 1.00 0.00 O ATOM 1693 CB PRO A 110 8.499 6.857 -9.857 1.00 0.00 C ATOM 1694 CG PRO A 110 9.160 7.245 -8.580 1.00 0.00 C ATOM 1695 CD PRO A 110 8.151 6.985 -7.496 1.00 0.00 C ATOM 0 HA PRO A 110 6.665 5.646 -10.069 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.232 6.560 -10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.931 7.687 -10.277 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.067 6.662 -8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.454 8.294 -8.596 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.630 6.676 -6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.564 7.876 -7.271 1.00 0.00 H new ATOM 1703 N ARG A 111 8.044 3.788 -10.916 1.00 0.00 N ATOM 1704 CA ARG A 111 8.651 2.515 -11.284 1.00 0.00 C ATOM 1705 C ARG A 111 10.128 2.695 -11.625 1.00 0.00 C ATOM 1706 O ARG A 111 10.490 3.561 -12.422 1.00 0.00 O ATOM 1707 CB ARG A 111 7.914 1.899 -12.475 1.00 0.00 C ATOM 1708 CG ARG A 111 6.464 1.551 -12.179 1.00 0.00 C ATOM 1709 CD ARG A 111 6.344 0.202 -11.488 1.00 0.00 C ATOM 1710 NE ARG A 111 6.600 -0.906 -12.404 1.00 0.00 N ATOM 1711 CZ ARG A 111 6.424 -2.183 -12.080 1.00 0.00 C ATOM 1712 NH1 ARG A 111 5.993 -2.509 -10.870 1.00 0.00 N ATOM 1713 NH2 ARG A 111 6.678 -3.135 -12.968 1.00 0.00 N ATOM 0 H ARG A 111 7.434 4.186 -11.630 1.00 0.00 H new ATOM 0 HA ARG A 111 8.572 1.843 -10.429 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.948 2.596 -13.313 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.439 0.997 -12.789 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.025 2.324 -11.549 1.00 0.00 H new ATOM 0 HG3 ARG A 111 5.895 1.537 -13.109 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.048 0.156 -10.657 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.345 0.099 -11.065 1.00 0.00 H new ATOM 0 HE ARG A 111 6.932 -0.688 -13.344 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.796 -1.779 -10.185 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.859 -3.490 -10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.009 -2.887 -13.901 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.543 -4.115 -12.718 1.00 0.00 H new TER 1727 ARG A 111