USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1062 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: B 39 MET CE :methyl 164:sc= -7.87! (180deg=-9.37!) USER MOD Set 1.2: B 59 MET CE :methyl -158:sc= -16.8! (180deg=-17.8!) USER MOD Set 2.1: B 20 TYR OH : rot 30:sc= 0.00813 USER MOD Set 2.2: B 37 SER OG : rot 99:sc= 0.831 USER MOD Set 3.1: A 74 GLN :FLIP amide:sc= -8.36! C(o=-19!,f=-17!) USER MOD Set 3.2: B 74 GLN :FLIP amide:sc= -8.37! C(o=-19!,f=-17!) USER MOD Set 4.1: A 39 MET CE :methyl 158:sc= -7.75! (180deg=-9.32!) USER MOD Set 4.2: A 59 MET CE :methyl -160:sc= -16.8! (180deg=-17.8!) USER MOD Set 5.1: A 20 TYR OH : rot 30:sc= 0.0053 USER MOD Set 5.2: A 37 SER OG : rot 95:sc= 0.791 USER MOD Single : A 4 THR OG1 : rot -162:sc= 0.178 USER MOD Single : A 6 THR OG1 : rot -80:sc= -1.22 USER MOD Single : A 9 CYS SG : rot -57:sc= -3.8 USER MOD Single : A 12 SER OG : rot 150:sc= -2.25! USER MOD Single : A 18 GLN : amide:sc= -6.44! C(o=-6.4!,f=-6.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.165 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.183 X(o=0.18,f=0) USER MOD Single : A 41 THR OG1 : rot -72:sc= 1.35 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -175:sc= -2.6 (180deg=-2.6) USER MOD Single : A 70 GLN :FLIP amide:sc= -3.77! C(o=-5.5!,f=-3.8!) USER MOD Single : A 78 ASN : amide:sc= -0.658 K(o=-0.66,f=-1.6!) USER MOD Single : A 87 CYS SG : rot -157:sc= -0.09 USER MOD Single : A 88 HIS : no HE2:sc= -1.22 X(o=-1.2,f=-1.6) USER MOD Single : A 90 SER OG : rot -170:sc= -4.93! USER MOD Single : B 4 THR OG1 : rot -162:sc= 0.183 USER MOD Single : B 6 THR OG1 : rot 110:sc= -1.18 USER MOD Single : B 9 CYS SG : rot -56:sc= -3.94 USER MOD Single : B 12 SER OG : rot -20:sc= -2.3! USER MOD Single : B 18 GLN : amide:sc= -6.44! C(o=-6.4!,f=-6.1!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0.168 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 40 ASN : amide:sc= 0.175 X(o=0.18,f=0) USER MOD Single : B 41 THR OG1 : rot -77:sc= 1.34 USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 MET CE :methyl -178:sc= -2.61 (180deg=-2.62) USER MOD Single : B 70 GLN :FLIP amide:sc= -3.75! C(o=-5.4!,f=-3.7!) USER MOD Single : B 78 ASN : amide:sc= -0.665 K(o=-0.66,f=-1.5!) USER MOD Single : B 87 CYS SG : rot -156:sc= -0.188 USER MOD Single : B 88 HIS : no HE2:sc= -1.18 X(o=-1.2,f=-1.6) USER MOD Single : B 90 SER OG : rot -170:sc= -4.94! USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 8.026 -4.147 15.259 1.00 0.00 N ATOM 52 CA THR A 4 8.429 -2.854 14.719 1.00 0.00 C ATOM 53 C THR A 4 7.229 -2.071 14.210 1.00 0.00 C ATOM 54 O THR A 4 6.281 -2.635 13.667 1.00 0.00 O ATOM 55 CB THR A 4 9.467 -3.030 13.602 1.00 0.00 C ATOM 56 OG1 THR A 4 9.491 -1.895 12.755 1.00 0.00 O ATOM 57 CG2 THR A 4 9.227 -4.246 12.731 1.00 0.00 C ATOM 0 HA THR A 4 8.885 -2.285 15.529 1.00 0.00 H new ATOM 0 HB THR A 4 10.417 -3.162 14.119 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.932 -2.126 11.911 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.000 -4.303 11.965 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.258 -5.146 13.346 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.250 -4.165 12.255 1.00 0.00 H new ATOM 65 N GLU A 5 7.289 -0.758 14.398 1.00 0.00 N ATOM 66 CA GLU A 5 6.227 0.139 13.970 1.00 0.00 C ATOM 67 C GLU A 5 5.758 -0.204 12.559 1.00 0.00 C ATOM 68 O GLU A 5 4.560 -0.215 12.276 1.00 0.00 O ATOM 69 CB GLU A 5 6.734 1.575 14.028 1.00 0.00 C ATOM 70 CG GLU A 5 5.708 2.566 14.553 1.00 0.00 C ATOM 71 CD GLU A 5 5.084 3.398 13.450 1.00 0.00 C ATOM 72 OE1 GLU A 5 5.797 4.240 12.866 1.00 0.00 O ATOM 73 OE2 GLU A 5 3.882 3.208 13.170 1.00 0.00 O ATOM 0 H GLU A 5 8.073 -0.288 14.850 1.00 0.00 H new ATOM 0 HA GLU A 5 5.374 0.025 14.639 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.620 1.613 14.662 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.044 1.882 13.029 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.924 2.025 15.083 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.184 3.227 15.277 1.00 0.00 H new ATOM 80 N THR A 6 6.712 -0.501 11.686 1.00 0.00 N ATOM 81 CA THR A 6 6.404 -0.866 10.312 1.00 0.00 C ATOM 82 C THR A 6 5.697 -2.214 10.276 1.00 0.00 C ATOM 83 O THR A 6 4.766 -2.421 9.504 1.00 0.00 O ATOM 84 CB THR A 6 7.686 -0.929 9.483 1.00 0.00 C ATOM 85 OG1 THR A 6 8.647 -0.015 9.977 1.00 0.00 O ATOM 86 CG2 THR A 6 7.466 -0.620 8.019 1.00 0.00 C ATOM 0 H THR A 6 7.708 -0.496 11.907 1.00 0.00 H new ATOM 0 HA THR A 6 5.746 -0.108 9.887 1.00 0.00 H new ATOM 0 HB THR A 6 8.038 -1.957 9.571 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.441 0.885 9.650 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.416 -0.682 7.487 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.766 -1.341 7.596 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.058 0.386 7.917 1.00 0.00 H new ATOM 94 N GLU A 7 6.138 -3.127 11.133 1.00 0.00 N ATOM 95 CA GLU A 7 5.545 -4.459 11.198 1.00 0.00 C ATOM 96 C GLU A 7 4.029 -4.361 11.334 1.00 0.00 C ATOM 97 O GLU A 7 3.294 -5.193 10.805 1.00 0.00 O ATOM 98 CB GLU A 7 6.129 -5.242 12.379 1.00 0.00 C ATOM 99 CG GLU A 7 6.875 -6.499 11.963 1.00 0.00 C ATOM 100 CD GLU A 7 6.323 -7.751 12.617 1.00 0.00 C ATOM 101 OE1 GLU A 7 5.104 -7.794 12.883 1.00 0.00 O ATOM 102 OE2 GLU A 7 7.111 -8.689 12.865 1.00 0.00 O ATOM 0 H GLU A 7 6.902 -2.971 11.791 1.00 0.00 H new ATOM 0 HA GLU A 7 5.779 -4.987 10.274 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.807 -4.594 12.935 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.322 -5.516 13.058 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.822 -6.606 10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.929 -6.393 12.221 1.00 0.00 H new ATOM 109 N ARG A 8 3.571 -3.326 12.026 1.00 0.00 N ATOM 110 CA ARG A 8 2.144 -3.104 12.206 1.00 0.00 C ATOM 111 C ARG A 8 1.540 -2.461 10.960 1.00 0.00 C ATOM 112 O ARG A 8 0.352 -2.624 10.679 1.00 0.00 O ATOM 113 CB ARG A 8 1.891 -2.218 13.428 1.00 0.00 C ATOM 114 CG ARG A 8 1.759 -2.996 14.728 1.00 0.00 C ATOM 115 CD ARG A 8 2.996 -2.844 15.600 1.00 0.00 C ATOM 116 NE ARG A 8 2.670 -2.884 17.024 1.00 0.00 N ATOM 117 CZ ARG A 8 2.440 -4.007 17.700 1.00 0.00 C ATOM 118 NH1 ARG A 8 2.494 -5.182 17.086 1.00 0.00 N ATOM 119 NH2 ARG A 8 2.155 -3.954 18.994 1.00 0.00 N ATOM 0 H ARG A 8 4.167 -2.628 12.471 1.00 0.00 H new ATOM 0 HA ARG A 8 1.666 -4.070 12.367 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.708 -1.503 13.524 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.981 -1.641 13.266 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.883 -2.647 15.274 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.597 -4.051 14.506 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.704 -3.640 15.368 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.490 -1.901 15.367 1.00 0.00 H new ATOM 0 HE ARG A 8 2.616 -2.000 17.529 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.713 -5.228 16.091 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.317 -6.039 17.609 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.112 -3.053 19.470 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.979 -4.814 19.513 1.00 0.00 H new ATOM 132 N CYS A 9 2.367 -1.723 10.217 1.00 0.00 N ATOM 133 CA CYS A 9 1.914 -1.048 9.004 1.00 0.00 C ATOM 134 C CYS A 9 1.590 -2.052 7.900 1.00 0.00 C ATOM 135 O CYS A 9 0.563 -1.941 7.230 1.00 0.00 O ATOM 136 CB CYS A 9 2.969 -0.029 8.526 1.00 0.00 C ATOM 137 SG CYS A 9 4.255 -0.686 7.431 1.00 0.00 S ATOM 0 H CYS A 9 3.353 -1.579 10.436 1.00 0.00 H new ATOM 0 HA CYS A 9 0.997 -0.509 9.241 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.456 0.782 8.009 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.450 0.406 9.402 1.00 0.00 H new ATOM 0 HG CYS A 9 4.861 -1.675 8.018 1.00 0.00 H new ATOM 143 N ILE A 10 2.472 -3.027 7.712 1.00 0.00 N ATOM 144 CA ILE A 10 2.278 -4.038 6.687 1.00 0.00 C ATOM 145 C ILE A 10 1.071 -4.915 6.990 1.00 0.00 C ATOM 146 O ILE A 10 0.161 -5.033 6.175 1.00 0.00 O ATOM 147 CB ILE A 10 3.523 -4.934 6.547 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.785 -4.083 6.436 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.390 -5.839 5.334 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.633 -4.084 7.683 1.00 0.00 C ATOM 0 H ILE A 10 3.327 -3.136 8.257 1.00 0.00 H new ATOM 0 HA ILE A 10 2.107 -3.507 5.751 1.00 0.00 H new ATOM 0 HB ILE A 10 3.602 -5.555 7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.384 -4.446 5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.500 -3.057 6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.278 -6.466 5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.509 -6.471 5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.288 -5.230 4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.511 -3.457 7.526 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.052 -3.693 8.518 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.949 -5.103 7.907 1.00 0.00 H new ATOM 162 N GLU A 11 1.072 -5.536 8.165 1.00 0.00 N ATOM 163 CA GLU A 11 -0.019 -6.418 8.567 1.00 0.00 C ATOM 164 C GLU A 11 -1.375 -5.736 8.427 1.00 0.00 C ATOM 165 O GLU A 11 -2.396 -6.397 8.240 1.00 0.00 O ATOM 166 CB GLU A 11 0.184 -6.893 10.005 1.00 0.00 C ATOM 167 CG GLU A 11 0.245 -8.406 10.131 1.00 0.00 C ATOM 168 CD GLU A 11 -0.657 -8.939 11.228 1.00 0.00 C ATOM 169 OE1 GLU A 11 -1.825 -8.502 11.300 1.00 0.00 O ATOM 170 OE2 GLU A 11 -0.196 -9.794 12.012 1.00 0.00 O ATOM 0 H GLU A 11 1.816 -5.445 8.856 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.008 -7.280 7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.107 -6.465 10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.630 -6.516 10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.040 -8.857 9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.273 -8.709 10.332 1.00 0.00 H new ATOM 177 N SER A 12 -1.383 -4.416 8.532 1.00 0.00 N ATOM 178 CA SER A 12 -2.620 -3.655 8.430 1.00 0.00 C ATOM 179 C SER A 12 -3.185 -3.664 7.006 1.00 0.00 C ATOM 180 O SER A 12 -4.338 -4.034 6.799 1.00 0.00 O ATOM 181 CB SER A 12 -2.382 -2.219 8.896 1.00 0.00 C ATOM 182 OG SER A 12 -3.510 -1.714 9.589 1.00 0.00 O ATOM 0 H SER A 12 -0.549 -3.850 8.687 1.00 0.00 H new ATOM 0 HA SER A 12 -3.359 -4.132 9.074 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.507 -2.184 9.545 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.166 -1.585 8.036 1.00 0.00 H new ATOM 0 HG SER A 12 -3.217 -1.061 10.258 1.00 0.00 H new ATOM 188 N LEU A 13 -2.381 -3.242 6.030 1.00 0.00 N ATOM 189 CA LEU A 13 -2.820 -3.183 4.639 1.00 0.00 C ATOM 190 C LEU A 13 -3.042 -4.569 4.021 1.00 0.00 C ATOM 191 O LEU A 13 -3.848 -4.727 3.106 1.00 0.00 O ATOM 192 CB LEU A 13 -1.814 -2.388 3.822 1.00 0.00 C ATOM 193 CG LEU A 13 -2.116 -0.894 3.732 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.484 -0.661 3.115 1.00 0.00 C ATOM 195 CD2 LEU A 13 -2.051 -0.234 5.098 1.00 0.00 C ATOM 0 H LEU A 13 -1.420 -2.935 6.180 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.789 -2.684 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.824 -2.521 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.776 -2.800 2.814 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.355 -0.444 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.681 0.410 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.508 -1.087 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.247 -1.139 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.271 0.829 4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.783 -0.696 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.052 -0.361 5.516 1.00 0.00 H new ATOM 207 N ILE A 14 -2.343 -5.572 4.513 1.00 0.00 N ATOM 208 CA ILE A 14 -2.508 -6.916 3.997 1.00 0.00 C ATOM 209 C ILE A 14 -3.853 -7.471 4.375 1.00 0.00 C ATOM 210 O ILE A 14 -4.447 -8.248 3.641 1.00 0.00 O ATOM 211 CB ILE A 14 -1.488 -7.871 4.599 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.091 -7.298 4.558 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.546 -9.199 3.894 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.754 -7.846 5.669 1.00 0.00 C ATOM 0 H ILE A 14 -1.659 -5.483 5.265 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.389 -6.841 2.916 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.742 -8.018 5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.371 -7.529 3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.138 -6.212 4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.812 -9.876 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.543 -9.625 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.325 -9.059 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.753 -7.415 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.303 -7.592 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.821 -8.930 5.575 1.00 0.00 H new ATOM 226 N ALA A 15 -4.281 -7.099 5.561 1.00 0.00 N ATOM 227 CA ALA A 15 -5.515 -7.585 6.132 1.00 0.00 C ATOM 228 C ALA A 15 -6.739 -6.900 5.544 1.00 0.00 C ATOM 229 O ALA A 15 -7.814 -7.495 5.473 1.00 0.00 O ATOM 230 CB ALA A 15 -5.420 -7.411 7.632 1.00 0.00 C ATOM 0 H ALA A 15 -3.777 -6.445 6.160 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.647 -8.639 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.338 -7.769 8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.573 -7.983 8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.280 -6.356 7.868 1.00 0.00 H new ATOM 236 N VAL A 16 -6.576 -5.664 5.100 1.00 0.00 N ATOM 237 CA VAL A 16 -7.670 -4.934 4.498 1.00 0.00 C ATOM 238 C VAL A 16 -8.118 -5.630 3.221 1.00 0.00 C ATOM 239 O VAL A 16 -9.304 -5.656 2.892 1.00 0.00 O ATOM 240 CB VAL A 16 -7.245 -3.494 4.158 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.791 -2.766 5.391 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.123 -3.487 3.149 1.00 0.00 C ATOM 0 H VAL A 16 -5.697 -5.150 5.147 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.491 -4.904 5.214 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.115 -2.990 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.496 -1.751 5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.607 -2.730 6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.941 -3.288 5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.841 -2.458 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.263 -4.018 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.453 -3.979 2.234 1.00 0.00 H new ATOM 252 N PHE A 17 -7.145 -6.169 2.494 1.00 0.00 N ATOM 253 CA PHE A 17 -7.425 -6.846 1.222 1.00 0.00 C ATOM 254 C PHE A 17 -7.927 -8.282 1.410 1.00 0.00 C ATOM 255 O PHE A 17 -9.024 -8.618 0.969 1.00 0.00 O ATOM 256 CB PHE A 17 -6.166 -6.833 0.338 1.00 0.00 C ATOM 257 CG PHE A 17 -5.860 -8.144 -0.339 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.715 -8.658 -1.301 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.718 -8.858 -0.013 1.00 0.00 C ATOM 260 CE1 PHE A 17 -6.436 -9.861 -1.924 1.00 0.00 C ATOM 261 CE2 PHE A 17 -4.435 -10.060 -0.633 1.00 0.00 C ATOM 262 CZ PHE A 17 -5.295 -10.562 -1.589 1.00 0.00 C ATOM 0 H PHE A 17 -6.160 -6.153 2.757 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.229 -6.295 0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.282 -6.064 -0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.311 -6.548 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.609 -8.113 -1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.041 -8.471 0.734 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.110 -10.252 -2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.541 -10.606 -0.370 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.076 -11.502 -2.074 1.00 0.00 H new ATOM 272 N GLN A 18 -7.114 -9.127 2.040 1.00 0.00 N ATOM 273 CA GLN A 18 -7.483 -10.531 2.242 1.00 0.00 C ATOM 274 C GLN A 18 -8.784 -10.684 3.015 1.00 0.00 C ATOM 275 O GLN A 18 -9.478 -11.688 2.862 1.00 0.00 O ATOM 276 CB GLN A 18 -6.372 -11.304 2.952 1.00 0.00 C ATOM 277 CG GLN A 18 -5.656 -10.507 4.019 1.00 0.00 C ATOM 278 CD GLN A 18 -4.243 -10.992 4.247 1.00 0.00 C ATOM 279 OE1 GLN A 18 -3.844 -11.279 5.376 1.00 0.00 O ATOM 280 NE2 GLN A 18 -3.476 -11.087 3.168 1.00 0.00 N ATOM 0 H GLN A 18 -6.202 -8.870 2.418 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.630 -10.950 1.247 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.798 -12.199 3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.645 -11.637 2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.635 -9.456 3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.215 -10.571 4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.851 -10.838 2.253 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.512 -11.409 3.254 1.00 0.00 H new ATOM 289 N LYS A 19 -9.126 -9.702 3.848 1.00 0.00 N ATOM 290 CA LYS A 19 -10.361 -9.789 4.622 1.00 0.00 C ATOM 291 C LYS A 19 -11.528 -10.106 3.694 1.00 0.00 C ATOM 292 O LYS A 19 -12.255 -11.077 3.901 1.00 0.00 O ATOM 293 CB LYS A 19 -10.618 -8.476 5.367 1.00 0.00 C ATOM 294 CG LYS A 19 -11.914 -8.466 6.162 1.00 0.00 C ATOM 295 CD LYS A 19 -11.728 -9.081 7.540 1.00 0.00 C ATOM 296 CE LYS A 19 -10.715 -8.304 8.365 1.00 0.00 C ATOM 297 NZ LYS A 19 -10.915 -8.507 9.826 1.00 0.00 N ATOM 0 H LYS A 19 -8.579 -8.855 4.002 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.262 -10.588 5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.786 -8.284 6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.638 -7.658 4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.271 -7.441 6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.680 -9.017 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.685 -9.102 8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.398 -10.115 7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.707 -8.616 8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.795 -7.242 8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.204 -7.960 10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.867 -8.186 10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.813 -9.517 10.053 1.00 0.00 H new ATOM 311 N TYR A 20 -11.662 -9.312 2.637 1.00 0.00 N ATOM 312 CA TYR A 20 -12.692 -9.543 1.635 1.00 0.00 C ATOM 313 C TYR A 20 -12.227 -10.633 0.680 1.00 0.00 C ATOM 314 O TYR A 20 -13.027 -11.375 0.108 1.00 0.00 O ATOM 315 CB TYR A 20 -13.013 -8.254 0.878 1.00 0.00 C ATOM 316 CG TYR A 20 -14.244 -7.549 1.403 1.00 0.00 C ATOM 317 CD1 TYR A 20 -14.236 -6.936 2.649 1.00 0.00 C ATOM 318 CD2 TYR A 20 -15.415 -7.503 0.657 1.00 0.00 C ATOM 319 CE1 TYR A 20 -15.359 -6.296 3.138 1.00 0.00 C ATOM 320 CE2 TYR A 20 -16.541 -6.864 1.139 1.00 0.00 C ATOM 321 CZ TYR A 20 -16.508 -6.262 2.379 1.00 0.00 C ATOM 322 OH TYR A 20 -17.629 -5.625 2.861 1.00 0.00 O ATOM 0 H TYR A 20 -11.069 -8.503 2.453 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.607 -9.868 2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.159 -7.579 0.943 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -13.156 -8.486 -0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.337 -6.960 3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.446 -7.974 -0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.336 -5.825 4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -17.444 -6.836 0.547 1.00 0.00 H new ATOM 0 HH TYR A 20 -17.360 -4.890 3.451 1.00 0.00 H new ATOM 332 N ALA A 21 -10.907 -10.698 0.516 1.00 0.00 N ATOM 333 CA ALA A 21 -10.260 -11.658 -0.363 1.00 0.00 C ATOM 334 C ALA A 21 -10.063 -13.017 0.310 1.00 0.00 C ATOM 335 O ALA A 21 -9.229 -13.813 -0.123 1.00 0.00 O ATOM 336 CB ALA A 21 -8.922 -11.084 -0.806 1.00 0.00 C ATOM 0 H ALA A 21 -10.254 -10.078 0.996 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.904 -11.828 -1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.423 -11.793 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.086 -10.146 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.297 -10.901 0.068 1.00 0.00 H new ATOM 342 N GLY A 22 -10.827 -13.281 1.366 1.00 0.00 N ATOM 343 CA GLY A 22 -10.709 -14.547 2.066 1.00 0.00 C ATOM 344 C GLY A 22 -9.660 -14.510 3.158 1.00 0.00 C ATOM 345 O GLY A 22 -8.500 -14.186 2.904 1.00 0.00 O ATOM 0 H GLY A 22 -11.524 -12.642 1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.673 -14.809 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.458 -15.331 1.352 1.00 0.00 H new ATOM 419 N VAL A 28 -6.136 -16.009 -4.094 1.00 0.00 N ATOM 420 CA VAL A 28 -5.338 -14.881 -3.628 1.00 0.00 C ATOM 421 C VAL A 28 -5.744 -13.591 -4.337 1.00 0.00 C ATOM 422 O VAL A 28 -4.901 -12.752 -4.654 1.00 0.00 O ATOM 423 CB VAL A 28 -3.833 -15.129 -3.850 1.00 0.00 C ATOM 424 CG1 VAL A 28 -3.330 -16.234 -2.931 1.00 0.00 C ATOM 425 CG2 VAL A 28 -3.558 -15.471 -5.306 1.00 0.00 C ATOM 0 HA VAL A 28 -5.526 -14.778 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.294 -14.214 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.266 -16.394 -3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.490 -15.945 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.874 -17.156 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.491 -15.643 -5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.109 -16.371 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.877 -14.644 -5.941 1.00 0.00 H new ATOM 435 N THR A 29 -7.043 -13.441 -4.580 1.00 0.00 N ATOM 436 CA THR A 29 -7.568 -12.257 -5.246 1.00 0.00 C ATOM 437 C THR A 29 -8.948 -11.895 -4.713 1.00 0.00 C ATOM 438 O THR A 29 -9.651 -12.733 -4.149 1.00 0.00 O ATOM 439 CB THR A 29 -7.645 -12.481 -6.753 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.136 -13.776 -7.048 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.313 -12.320 -7.446 1.00 0.00 C ATOM 0 H THR A 29 -7.752 -14.128 -4.324 1.00 0.00 H new ATOM 0 HA THR A 29 -6.887 -11.432 -5.040 1.00 0.00 H new ATOM 0 HB THR A 29 -8.325 -11.714 -7.125 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.178 -13.896 -8.020 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.436 -12.492 -8.515 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.937 -11.310 -7.282 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.603 -13.041 -7.042 1.00 0.00 H new ATOM 449 N LEU A 30 -9.329 -10.640 -4.905 1.00 0.00 N ATOM 450 CA LEU A 30 -10.628 -10.149 -4.458 1.00 0.00 C ATOM 451 C LEU A 30 -11.456 -9.702 -5.660 1.00 0.00 C ATOM 452 O LEU A 30 -11.215 -10.145 -6.779 1.00 0.00 O ATOM 453 CB LEU A 30 -10.441 -8.982 -3.472 1.00 0.00 C ATOM 454 CG LEU A 30 -11.451 -8.885 -2.309 1.00 0.00 C ATOM 455 CD1 LEU A 30 -12.134 -7.526 -2.306 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.495 -9.993 -2.367 1.00 0.00 C ATOM 0 H LEU A 30 -8.754 -9.938 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.157 -10.954 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.440 -9.053 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.482 -8.050 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.888 -9.006 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.842 -7.477 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.385 -6.743 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.665 -7.383 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.185 -9.887 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.047 -9.924 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.000 -10.962 -2.308 1.00 0.00 H new ATOM 468 N SER A 31 -12.414 -8.813 -5.436 1.00 0.00 N ATOM 469 CA SER A 31 -13.245 -8.309 -6.518 1.00 0.00 C ATOM 470 C SER A 31 -13.453 -6.808 -6.376 1.00 0.00 C ATOM 471 O SER A 31 -13.705 -6.305 -5.282 1.00 0.00 O ATOM 472 CB SER A 31 -14.591 -9.035 -6.540 1.00 0.00 C ATOM 473 OG SER A 31 -15.639 -8.174 -6.955 1.00 0.00 O ATOM 0 H SER A 31 -12.634 -8.428 -4.518 1.00 0.00 H new ATOM 0 HA SER A 31 -12.734 -8.498 -7.462 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.533 -9.890 -7.213 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.811 -9.425 -5.546 1.00 0.00 H new ATOM 0 HG SER A 31 -16.485 -8.668 -6.960 1.00 0.00 H new ATOM 479 N LYS A 32 -13.343 -6.099 -7.493 1.00 0.00 N ATOM 480 CA LYS A 32 -13.517 -4.651 -7.500 1.00 0.00 C ATOM 481 C LYS A 32 -14.804 -4.260 -6.784 1.00 0.00 C ATOM 482 O LYS A 32 -14.844 -3.271 -6.053 1.00 0.00 O ATOM 483 CB LYS A 32 -13.546 -4.124 -8.937 1.00 0.00 C ATOM 484 CG LYS A 32 -12.296 -4.452 -9.737 1.00 0.00 C ATOM 485 CD LYS A 32 -12.481 -4.141 -11.214 1.00 0.00 C ATOM 486 CE LYS A 32 -12.595 -5.411 -12.044 1.00 0.00 C ATOM 487 NZ LYS A 32 -12.786 -5.113 -13.490 1.00 0.00 N ATOM 0 H LYS A 32 -13.134 -6.503 -8.406 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.673 -4.206 -6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.413 -4.541 -9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.678 -3.042 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.453 -3.881 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.051 -5.507 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.377 -3.536 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.639 -3.548 -11.570 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.695 -6.012 -11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.433 -6.007 -11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.859 -6.004 -14.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.658 -4.561 -13.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.975 -4.566 -13.842 1.00 0.00 H new ATOM 501 N THR A 33 -15.855 -5.043 -7.001 1.00 0.00 N ATOM 502 CA THR A 33 -17.142 -4.783 -6.385 1.00 0.00 C ATOM 503 C THR A 33 -17.131 -5.150 -4.900 1.00 0.00 C ATOM 504 O THR A 33 -17.629 -4.397 -4.066 1.00 0.00 O ATOM 505 CB THR A 33 -18.236 -5.559 -7.118 1.00 0.00 C ATOM 506 OG1 THR A 33 -18.734 -4.811 -8.213 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.406 -5.912 -6.235 1.00 0.00 C ATOM 0 H THR A 33 -15.836 -5.866 -7.603 1.00 0.00 H new ATOM 0 HA THR A 33 -17.348 -3.715 -6.462 1.00 0.00 H new ATOM 0 HB THR A 33 -17.762 -6.481 -7.454 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.432 -5.325 -8.670 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.147 -6.462 -6.815 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.063 -6.531 -5.406 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.855 -4.999 -5.844 1.00 0.00 H new ATOM 515 N GLU A 34 -16.568 -6.306 -4.566 1.00 0.00 N ATOM 516 CA GLU A 34 -16.514 -6.733 -3.174 1.00 0.00 C ATOM 517 C GLU A 34 -15.742 -5.711 -2.346 1.00 0.00 C ATOM 518 O GLU A 34 -15.996 -5.530 -1.154 1.00 0.00 O ATOM 519 CB GLU A 34 -15.869 -8.115 -3.060 1.00 0.00 C ATOM 520 CG GLU A 34 -16.675 -9.092 -2.222 1.00 0.00 C ATOM 521 CD GLU A 34 -15.847 -10.265 -1.735 1.00 0.00 C ATOM 522 OE1 GLU A 34 -15.717 -11.254 -2.487 1.00 0.00 O ATOM 523 OE2 GLU A 34 -15.328 -10.195 -0.601 1.00 0.00 O ATOM 0 H GLU A 34 -16.148 -6.956 -5.230 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.531 -6.801 -2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.737 -8.529 -4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.875 -8.009 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.095 -8.568 -1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -17.514 -9.464 -2.811 1.00 0.00 H new ATOM 530 N PHE A 35 -14.805 -5.033 -2.997 1.00 0.00 N ATOM 531 CA PHE A 35 -14.002 -4.021 -2.331 1.00 0.00 C ATOM 532 C PHE A 35 -14.814 -2.745 -2.121 1.00 0.00 C ATOM 533 O PHE A 35 -14.554 -1.984 -1.189 1.00 0.00 O ATOM 534 CB PHE A 35 -12.722 -3.734 -3.124 1.00 0.00 C ATOM 535 CG PHE A 35 -11.524 -4.464 -2.589 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.247 -4.471 -1.231 1.00 0.00 C ATOM 537 CD2 PHE A 35 -10.679 -5.145 -3.445 1.00 0.00 C ATOM 538 CE1 PHE A 35 -10.145 -5.146 -0.740 1.00 0.00 C ATOM 539 CE2 PHE A 35 -9.576 -5.821 -2.962 1.00 0.00 C ATOM 540 CZ PHE A 35 -9.308 -5.821 -1.607 1.00 0.00 C ATOM 0 H PHE A 35 -14.584 -5.167 -3.984 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.711 -4.402 -1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.876 -4.015 -4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.524 -2.662 -3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -11.898 -3.944 -0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.884 -5.148 -4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.939 -5.146 0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.924 -6.349 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.446 -6.348 -1.226 1.00 0.00 H new ATOM 550 N LEU A 36 -15.811 -2.520 -2.980 1.00 0.00 N ATOM 551 CA LEU A 36 -16.669 -1.345 -2.866 1.00 0.00 C ATOM 552 C LEU A 36 -17.217 -1.219 -1.462 1.00 0.00 C ATOM 553 O LEU A 36 -17.008 -0.221 -0.774 1.00 0.00 O ATOM 554 CB LEU A 36 -17.850 -1.472 -3.822 1.00 0.00 C ATOM 555 CG LEU A 36 -17.727 -0.668 -5.093 1.00 0.00 C ATOM 556 CD1 LEU A 36 -17.673 0.814 -4.764 1.00 0.00 C ATOM 557 CD2 LEU A 36 -16.498 -1.109 -5.864 1.00 0.00 C ATOM 0 H LEU A 36 -16.041 -3.136 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.070 -0.467 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -17.975 -2.523 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -18.756 -1.164 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.600 -0.842 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.584 1.388 -5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -18.585 1.104 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.811 1.014 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.415 -0.525 -6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.609 -0.953 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.585 -2.166 -6.114 1.00 0.00 H new ATOM 569 N SER A 37 -17.931 -2.255 -1.060 1.00 0.00 N ATOM 570 CA SER A 37 -18.539 -2.299 0.256 1.00 0.00 C ATOM 571 C SER A 37 -17.496 -2.034 1.334 1.00 0.00 C ATOM 572 O SER A 37 -17.718 -1.239 2.247 1.00 0.00 O ATOM 573 CB SER A 37 -19.210 -3.654 0.491 1.00 0.00 C ATOM 574 OG SER A 37 -18.462 -4.704 -0.097 1.00 0.00 O ATOM 0 H SER A 37 -18.104 -3.082 -1.631 1.00 0.00 H new ATOM 0 HA SER A 37 -19.300 -1.520 0.309 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.312 -3.832 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.216 -3.642 0.073 1.00 0.00 H new ATOM 0 HG SER A 37 -17.871 -5.101 0.576 1.00 0.00 H new ATOM 580 N PHE A 38 -16.348 -2.697 1.212 1.00 0.00 N ATOM 581 CA PHE A 38 -15.260 -2.520 2.166 1.00 0.00 C ATOM 582 C PHE A 38 -14.837 -1.054 2.225 1.00 0.00 C ATOM 583 O PHE A 38 -14.360 -0.573 3.253 1.00 0.00 O ATOM 584 CB PHE A 38 -14.067 -3.398 1.772 1.00 0.00 C ATOM 585 CG PHE A 38 -12.854 -3.206 2.641 1.00 0.00 C ATOM 586 CD1 PHE A 38 -12.055 -2.082 2.501 1.00 0.00 C ATOM 587 CD2 PHE A 38 -12.513 -4.152 3.594 1.00 0.00 C ATOM 588 CE1 PHE A 38 -10.939 -1.906 3.295 1.00 0.00 C ATOM 589 CE2 PHE A 38 -11.398 -3.979 4.392 1.00 0.00 C ATOM 590 CZ PHE A 38 -10.609 -2.856 4.242 1.00 0.00 C ATOM 0 H PHE A 38 -16.149 -3.360 0.463 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.610 -2.821 3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.369 -4.444 1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.798 -3.185 0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -12.308 -1.336 1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -13.125 -5.034 3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.324 -1.026 3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.144 -4.722 5.133 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.736 -2.721 4.863 1.00 0.00 H new ATOM 600 N MET A 39 -15.016 -0.353 1.110 1.00 0.00 N ATOM 601 CA MET A 39 -14.660 1.058 1.020 1.00 0.00 C ATOM 602 C MET A 39 -15.712 1.932 1.692 1.00 0.00 C ATOM 603 O MET A 39 -15.390 2.949 2.302 1.00 0.00 O ATOM 604 CB MET A 39 -14.507 1.467 -0.445 1.00 0.00 C ATOM 605 CG MET A 39 -14.000 2.888 -0.631 1.00 0.00 C ATOM 606 SD MET A 39 -12.343 2.946 -1.335 1.00 0.00 S ATOM 607 CE MET A 39 -11.376 2.294 0.024 1.00 0.00 C ATOM 0 H MET A 39 -15.408 -0.742 0.252 1.00 0.00 H new ATOM 0 HA MET A 39 -13.712 1.202 1.538 1.00 0.00 H new ATOM 0 HB2 MET A 39 -13.820 0.778 -0.936 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.471 1.366 -0.944 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.686 3.432 -1.280 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.000 3.399 0.332 1.00 0.00 H new ATOM 0 HE1 MET A 39 -10.432 1.903 -0.356 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.177 3.089 0.743 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.930 1.493 0.513 1.00 0.00 H new ATOM 617 N ASN A 40 -16.971 1.529 1.572 1.00 0.00 N ATOM 618 CA ASN A 40 -18.072 2.275 2.168 1.00 0.00 C ATOM 619 C ASN A 40 -18.098 2.104 3.684 1.00 0.00 C ATOM 620 O ASN A 40 -18.705 2.902 4.398 1.00 0.00 O ATOM 621 CB ASN A 40 -19.405 1.819 1.570 1.00 0.00 C ATOM 622 CG ASN A 40 -19.613 2.332 0.159 1.00 0.00 C ATOM 623 OD1 ASN A 40 -20.005 3.481 -0.044 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.351 1.479 -0.824 1.00 0.00 N ATOM 0 H ASN A 40 -17.255 0.689 1.067 1.00 0.00 H new ATOM 0 HA ASN A 40 -17.920 3.331 1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.445 0.730 1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.221 2.166 2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.473 1.767 -1.795 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.028 0.536 -0.608 1.00 0.00 H new ATOM 631 N THR A 41 -17.446 1.051 4.170 1.00 0.00 N ATOM 632 CA THR A 41 -17.407 0.768 5.599 1.00 0.00 C ATOM 633 C THR A 41 -16.031 1.055 6.191 1.00 0.00 C ATOM 634 O THR A 41 -15.818 2.080 6.840 1.00 0.00 O ATOM 635 CB THR A 41 -17.773 -0.696 5.848 1.00 0.00 C ATOM 636 OG1 THR A 41 -17.231 -1.525 4.834 1.00 0.00 O ATOM 637 CG2 THR A 41 -19.261 -0.945 5.892 1.00 0.00 C ATOM 0 H THR A 41 -16.938 0.380 3.594 1.00 0.00 H new ATOM 0 HA THR A 41 -18.130 1.421 6.087 1.00 0.00 H new ATOM 0 HB THR A 41 -17.354 -0.935 6.825 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.728 -1.389 4.000 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.448 -2.004 6.072 1.00 0.00 H new ATOM 0 HG22 THR A 41 -19.705 -0.357 6.695 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.707 -0.655 4.941 1.00 0.00 H new ATOM 645 N GLU A 42 -15.106 0.127 5.973 1.00 0.00 N ATOM 646 CA GLU A 42 -13.745 0.246 6.493 1.00 0.00 C ATOM 647 C GLU A 42 -13.113 1.592 6.142 1.00 0.00 C ATOM 648 O GLU A 42 -12.255 2.089 6.870 1.00 0.00 O ATOM 649 CB GLU A 42 -12.885 -0.897 5.955 1.00 0.00 C ATOM 650 CG GLU A 42 -13.449 -2.273 6.273 1.00 0.00 C ATOM 651 CD GLU A 42 -12.552 -3.075 7.196 1.00 0.00 C ATOM 652 OE1 GLU A 42 -11.321 -3.073 6.978 1.00 0.00 O ATOM 653 OE2 GLU A 42 -13.080 -3.703 8.138 1.00 0.00 O ATOM 0 H GLU A 42 -15.274 -0.723 5.435 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.798 0.186 7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.788 -0.792 4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.882 -0.817 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.430 -2.161 6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.594 -2.825 5.344 1.00 0.00 H new ATOM 660 N LEU A 43 -13.539 2.175 5.029 1.00 0.00 N ATOM 661 CA LEU A 43 -13.009 3.462 4.594 1.00 0.00 C ATOM 662 C LEU A 43 -14.140 4.385 4.161 1.00 0.00 C ATOM 663 O LEU A 43 -14.113 4.954 3.069 1.00 0.00 O ATOM 664 CB LEU A 43 -12.010 3.265 3.452 1.00 0.00 C ATOM 665 CG LEU A 43 -10.632 2.765 3.887 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.745 2.508 2.680 1.00 0.00 C ATOM 667 CD2 LEU A 43 -9.977 3.764 4.831 1.00 0.00 C ATOM 0 H LEU A 43 -14.248 1.779 4.412 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.490 3.926 5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.430 2.556 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.888 4.212 2.926 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.762 1.822 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.770 2.153 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.207 1.754 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.621 3.433 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.997 3.393 5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.862 4.722 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.602 3.893 5.715 1.00 0.00 H new ATOM 679 N ALA A 44 -15.135 4.527 5.029 1.00 0.00 N ATOM 680 CA ALA A 44 -16.283 5.377 4.749 1.00 0.00 C ATOM 681 C ALA A 44 -15.929 6.847 4.930 1.00 0.00 C ATOM 682 O ALA A 44 -16.545 7.723 4.327 1.00 0.00 O ATOM 683 CB ALA A 44 -17.449 4.994 5.647 1.00 0.00 C ATOM 0 H ALA A 44 -15.168 4.062 5.936 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.576 5.228 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -18.302 5.636 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.722 3.954 5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.160 5.117 6.691 1.00 0.00 H new ATOM 689 N ALA A 45 -14.928 7.107 5.761 1.00 0.00 N ATOM 690 CA ALA A 45 -14.484 8.469 6.021 1.00 0.00 C ATOM 691 C ALA A 45 -13.836 9.084 4.780 1.00 0.00 C ATOM 692 O ALA A 45 -13.636 10.296 4.710 1.00 0.00 O ATOM 693 CB ALA A 45 -13.514 8.482 7.192 1.00 0.00 C ATOM 0 H ALA A 45 -14.408 6.390 6.267 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.355 9.073 6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.186 9.504 7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.010 8.090 8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.650 7.861 6.956 1.00 0.00 H new ATOM 699 N PHE A 46 -13.507 8.240 3.804 1.00 0.00 N ATOM 700 CA PHE A 46 -12.880 8.699 2.571 1.00 0.00 C ATOM 701 C PHE A 46 -13.904 8.830 1.444 1.00 0.00 C ATOM 702 O PHE A 46 -13.677 9.548 0.470 1.00 0.00 O ATOM 703 CB PHE A 46 -11.770 7.730 2.153 1.00 0.00 C ATOM 704 CG PHE A 46 -10.585 7.742 3.075 1.00 0.00 C ATOM 705 CD1 PHE A 46 -10.705 7.300 4.383 1.00 0.00 C ATOM 706 CD2 PHE A 46 -9.351 8.193 2.634 1.00 0.00 C ATOM 707 CE1 PHE A 46 -9.616 7.308 5.234 1.00 0.00 C ATOM 708 CE2 PHE A 46 -8.259 8.204 3.480 1.00 0.00 C ATOM 709 CZ PHE A 46 -8.391 7.760 4.782 1.00 0.00 C ATOM 0 H PHE A 46 -13.665 7.233 3.846 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.451 9.683 2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.177 6.720 2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.439 7.982 1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.660 6.945 4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.242 8.540 1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -9.722 6.961 6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.303 8.559 3.124 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.538 7.766 5.445 1.00 0.00 H new ATOM 719 N THR A 47 -15.026 8.129 1.578 1.00 0.00 N ATOM 720 CA THR A 47 -16.076 8.166 0.563 1.00 0.00 C ATOM 721 C THR A 47 -17.295 8.947 1.051 1.00 0.00 C ATOM 722 O THR A 47 -18.102 9.418 0.249 1.00 0.00 O ATOM 723 CB THR A 47 -16.490 6.745 0.177 1.00 0.00 C ATOM 724 OG1 THR A 47 -17.356 6.192 1.153 1.00 0.00 O ATOM 725 CG2 THR A 47 -15.317 5.800 0.016 1.00 0.00 C ATOM 0 H THR A 47 -15.232 7.530 2.377 1.00 0.00 H new ATOM 0 HA THR A 47 -15.674 8.675 -0.313 1.00 0.00 H new ATOM 0 HB THR A 47 -16.991 6.843 -0.786 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.611 5.284 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.682 4.810 -0.258 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.655 6.172 -0.766 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.769 5.737 0.956 1.00 0.00 H new ATOM 841 N VAL A 55 -10.662 10.476 -5.282 1.00 0.00 N ATOM 842 CA VAL A 55 -9.974 9.506 -4.436 1.00 0.00 C ATOM 843 C VAL A 55 -10.377 8.077 -4.787 1.00 0.00 C ATOM 844 O VAL A 55 -9.548 7.273 -5.213 1.00 0.00 O ATOM 845 CB VAL A 55 -10.271 9.755 -2.945 1.00 0.00 C ATOM 846 CG1 VAL A 55 -9.411 8.856 -2.069 1.00 0.00 C ATOM 847 CG2 VAL A 55 -10.056 11.219 -2.594 1.00 0.00 C ATOM 0 HA VAL A 55 -8.907 9.633 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.317 9.511 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.636 9.047 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.622 7.812 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.358 9.064 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.271 11.375 -1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.021 11.494 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.722 11.839 -3.195 1.00 0.00 H new ATOM 857 N LEU A 56 -11.655 7.770 -4.602 1.00 0.00 N ATOM 858 CA LEU A 56 -12.177 6.444 -4.893 1.00 0.00 C ATOM 859 C LEU A 56 -12.004 6.107 -6.372 1.00 0.00 C ATOM 860 O LEU A 56 -11.484 5.049 -6.723 1.00 0.00 O ATOM 861 CB LEU A 56 -13.654 6.389 -4.493 1.00 0.00 C ATOM 862 CG LEU A 56 -14.503 5.324 -5.187 1.00 0.00 C ATOM 863 CD1 LEU A 56 -14.237 3.953 -4.587 1.00 0.00 C ATOM 864 CD2 LEU A 56 -15.973 5.687 -5.075 1.00 0.00 C ATOM 0 H LEU A 56 -12.351 8.427 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.620 5.703 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.711 6.225 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.099 7.364 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.231 5.285 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.851 3.209 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.184 3.700 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -14.485 3.966 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.575 4.925 -5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.255 5.744 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.147 6.653 -5.550 1.00 0.00 H new ATOM 876 N ASP A 57 -12.451 7.013 -7.232 1.00 0.00 N ATOM 877 CA ASP A 57 -12.355 6.817 -8.673 1.00 0.00 C ATOM 878 C ASP A 57 -10.914 6.554 -9.104 1.00 0.00 C ATOM 879 O ASP A 57 -10.670 5.843 -10.078 1.00 0.00 O ATOM 880 CB ASP A 57 -12.905 8.040 -9.406 1.00 0.00 C ATOM 881 CG ASP A 57 -13.483 7.691 -10.763 1.00 0.00 C ATOM 882 OD1 ASP A 57 -12.798 6.989 -11.537 1.00 0.00 O ATOM 883 OD2 ASP A 57 -14.619 8.120 -11.054 1.00 0.00 O ATOM 0 H ASP A 57 -12.885 7.894 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.950 5.941 -8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.677 8.509 -8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.108 8.773 -9.531 1.00 0.00 H new ATOM 888 N ARG A 58 -9.965 7.131 -8.375 1.00 0.00 N ATOM 889 CA ARG A 58 -8.550 6.956 -8.688 1.00 0.00 C ATOM 890 C ARG A 58 -8.157 5.481 -8.640 1.00 0.00 C ATOM 891 O ARG A 58 -7.421 4.996 -9.500 1.00 0.00 O ATOM 892 CB ARG A 58 -7.685 7.757 -7.710 1.00 0.00 C ATOM 893 CG ARG A 58 -6.908 8.886 -8.367 1.00 0.00 C ATOM 894 CD ARG A 58 -7.835 9.891 -9.031 1.00 0.00 C ATOM 895 NE ARG A 58 -7.106 10.834 -9.875 1.00 0.00 N ATOM 896 CZ ARG A 58 -6.366 11.833 -9.400 1.00 0.00 C ATOM 897 NH1 ARG A 58 -6.256 12.024 -8.090 1.00 0.00 N ATOM 898 NH2 ARG A 58 -5.734 12.645 -10.236 1.00 0.00 N ATOM 0 H ARG A 58 -10.148 7.723 -7.565 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.381 7.325 -9.700 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.323 8.172 -6.930 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.983 7.081 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.298 9.392 -7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.225 8.474 -9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.573 9.361 -9.633 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.384 10.439 -8.265 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.168 10.720 -10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.740 11.403 -7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.687 12.792 -7.733 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.815 12.504 -11.243 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.167 13.411 -9.872 1.00 0.00 H new ATOM 911 N MET A 59 -8.646 4.777 -7.625 1.00 0.00 N ATOM 912 CA MET A 59 -8.340 3.359 -7.459 1.00 0.00 C ATOM 913 C MET A 59 -8.883 2.536 -8.618 1.00 0.00 C ATOM 914 O MET A 59 -8.152 1.776 -9.247 1.00 0.00 O ATOM 915 CB MET A 59 -8.908 2.858 -6.125 1.00 0.00 C ATOM 916 CG MET A 59 -10.284 2.199 -6.208 1.00 0.00 C ATOM 917 SD MET A 59 -10.800 1.487 -4.635 1.00 0.00 S ATOM 918 CE MET A 59 -9.926 2.560 -3.505 1.00 0.00 C ATOM 0 H MET A 59 -9.256 5.164 -6.905 1.00 0.00 H new ATOM 0 HA MET A 59 -7.257 3.239 -7.452 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.206 2.143 -5.696 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.967 3.700 -5.435 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.019 2.938 -6.528 1.00 0.00 H new ATOM 0 HG3 MET A 59 -10.265 1.418 -6.968 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.836 2.071 -2.535 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.932 2.770 -3.899 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.476 3.494 -3.391 1.00 0.00 H new ATOM 928 N MET A 60 -10.171 2.687 -8.885 1.00 0.00 N ATOM 929 CA MET A 60 -10.816 1.947 -9.962 1.00 0.00 C ATOM 930 C MET A 60 -10.183 2.269 -11.312 1.00 0.00 C ATOM 931 O MET A 60 -10.163 1.429 -12.212 1.00 0.00 O ATOM 932 CB MET A 60 -12.312 2.253 -9.989 1.00 0.00 C ATOM 933 CG MET A 60 -13.082 1.564 -8.874 1.00 0.00 C ATOM 934 SD MET A 60 -14.006 0.128 -9.451 1.00 0.00 S ATOM 935 CE MET A 60 -12.700 -0.824 -10.225 1.00 0.00 C ATOM 0 H MET A 60 -10.791 3.314 -8.372 1.00 0.00 H new ATOM 0 HA MET A 60 -10.675 0.883 -9.773 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.458 3.330 -9.911 1.00 0.00 H new ATOM 0 HB3 MET A 60 -12.723 1.944 -10.950 1.00 0.00 H new ATOM 0 HG2 MET A 60 -12.386 1.254 -8.095 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.771 2.276 -8.420 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.128 -1.702 -10.709 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.194 -0.209 -10.970 1.00 0.00 H new ATOM 0 HE3 MET A 60 -11.983 -1.140 -9.468 1.00 0.00 H new ATOM 1083 N GLN A 70 -9.414 -10.716 -11.909 1.00 0.00 N ATOM 1084 CA GLN A 70 -9.714 -10.555 -10.491 1.00 0.00 C ATOM 1085 C GLN A 70 -8.826 -9.489 -9.861 1.00 0.00 C ATOM 1086 O GLN A 70 -7.902 -8.983 -10.499 1.00 0.00 O ATOM 1087 CB GLN A 70 -9.533 -11.886 -9.757 1.00 0.00 C ATOM 1088 CG GLN A 70 -10.827 -12.662 -9.580 1.00 0.00 C ATOM 1089 CD GLN A 70 -11.715 -12.056 -8.515 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -12.431 -10.996 -8.874 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -11.760 -12.533 -7.382 1.00 0.00 N flip ATOM 0 HA GLN A 70 -10.752 -10.234 -10.400 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.822 -12.502 -10.308 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.096 -11.695 -8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.365 -12.689 -10.527 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.597 -13.694 -9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.193 -13.348 -7.149 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.364 -12.113 -6.676 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.103 -9.158 -8.602 1.00 0.00 N ATOM 1101 CA LEU A 71 -8.320 -8.165 -7.892 1.00 0.00 C ATOM 1102 C LEU A 71 -6.895 -8.699 -7.698 1.00 0.00 C ATOM 1103 O LEU A 71 -6.332 -9.281 -8.625 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.007 -7.816 -6.561 1.00 0.00 C ATOM 1105 CG LEU A 71 -9.772 -6.485 -6.535 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -8.848 -5.349 -6.128 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -10.418 -6.191 -7.883 1.00 0.00 C ATOM 0 H LEU A 71 -9.864 -9.565 -8.058 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.254 -7.242 -8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.702 -8.618 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.250 -7.794 -5.777 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.568 -6.571 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.406 -4.413 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.445 -5.546 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.029 -5.273 -6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.952 -5.242 -7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.647 -6.132 -8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.118 -6.988 -8.132 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.304 -8.527 -6.514 1.00 0.00 N ATOM 1120 CA ASP A 72 -4.949 -9.025 -6.271 1.00 0.00 C ATOM 1121 C ASP A 72 -4.408 -8.548 -4.927 1.00 0.00 C ATOM 1122 O ASP A 72 -5.159 -8.081 -4.070 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.001 -8.584 -7.394 1.00 0.00 C ATOM 1124 CG ASP A 72 -3.255 -9.751 -8.012 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -3.793 -10.878 -7.994 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -2.131 -9.537 -8.515 1.00 0.00 O ATOM 0 H ASP A 72 -6.734 -8.054 -5.719 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.003 -10.113 -6.252 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.572 -8.071 -8.168 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.283 -7.866 -6.999 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.096 -8.680 -4.753 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.437 -8.275 -3.520 1.00 0.00 C ATOM 1133 C PHE A 73 -2.166 -6.773 -3.502 1.00 0.00 C ATOM 1134 O PHE A 73 -2.616 -6.070 -2.597 1.00 0.00 O ATOM 1135 CB PHE A 73 -1.131 -9.046 -3.332 1.00 0.00 C ATOM 1136 CG PHE A 73 -0.134 -8.839 -4.439 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -0.215 -9.575 -5.611 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.885 -7.911 -4.304 1.00 0.00 C ATOM 1139 CE1 PHE A 73 0.701 -9.388 -6.628 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.805 -7.719 -5.319 1.00 0.00 C ATOM 1141 CZ PHE A 73 1.712 -8.458 -6.482 1.00 0.00 C ATOM 0 H PHE A 73 -2.467 -9.067 -5.456 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.109 -8.508 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.677 -8.747 -2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.357 -10.110 -3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.004 -10.303 -5.730 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.962 -7.331 -3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.627 -9.968 -7.536 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.595 -6.992 -5.202 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.429 -8.309 -7.276 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.437 -6.277 -4.501 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.136 -4.855 -4.565 1.00 0.00 C ATOM 1153 C GLN A 74 -2.318 -4.091 -5.133 1.00 0.00 C ATOM 1154 O GLN A 74 -2.508 -2.920 -4.821 1.00 0.00 O ATOM 1155 CB GLN A 74 0.114 -4.569 -5.399 1.00 0.00 C ATOM 1156 CG GLN A 74 0.437 -3.080 -5.517 1.00 0.00 C ATOM 1157 CD GLN A 74 0.403 -2.357 -4.176 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -0.113 -1.125 -4.164 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 0.836 -2.899 -3.159 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.051 -6.832 -5.265 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.940 -4.521 -3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.965 -5.084 -4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.022 -4.984 -6.398 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.425 -2.962 -5.963 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.276 -2.611 -6.195 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.223 -3.842 -3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.808 -2.405 -2.267 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.117 -4.757 -5.969 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.282 -4.116 -6.561 1.00 0.00 C ATOM 1170 C GLU A 75 -5.034 -3.334 -5.497 1.00 0.00 C ATOM 1171 O GLU A 75 -5.543 -2.245 -5.756 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.200 -5.149 -7.215 1.00 0.00 C ATOM 1173 CG GLU A 75 -5.367 -4.931 -8.707 1.00 0.00 C ATOM 1174 CD GLU A 75 -5.402 -6.227 -9.493 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -4.321 -6.710 -9.889 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -6.511 -6.756 -9.715 1.00 0.00 O ATOM 0 H GLU A 75 -2.977 -5.729 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.945 -3.429 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.797 -6.147 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.178 -5.113 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.289 -4.378 -8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.547 -4.312 -9.073 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.069 -3.882 -4.286 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.726 -3.205 -3.186 1.00 0.00 C ATOM 1185 C PHE A 76 -4.812 -2.140 -2.611 1.00 0.00 C ATOM 1186 O PHE A 76 -5.187 -0.976 -2.518 1.00 0.00 O ATOM 1187 CB PHE A 76 -6.144 -4.168 -2.082 1.00 0.00 C ATOM 1188 CG PHE A 76 -7.253 -3.612 -1.227 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -8.258 -2.831 -1.788 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -7.286 -3.852 0.132 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -9.268 -2.307 -1.006 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -8.296 -3.328 0.918 1.00 0.00 C ATOM 1193 CZ PHE A 76 -9.286 -2.555 0.350 1.00 0.00 C ATOM 0 H PHE A 76 -4.654 -4.783 -4.048 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.630 -2.746 -3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.468 -5.109 -2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.282 -4.393 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.248 -2.632 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.514 -4.456 0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.043 -1.704 -1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.309 -3.525 1.980 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.073 -2.145 0.965 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.599 -2.539 -2.235 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.635 -1.599 -1.687 1.00 0.00 C ATOM 1205 C LEU A 77 -2.527 -0.387 -2.602 1.00 0.00 C ATOM 1206 O LEU A 77 -2.371 0.741 -2.143 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.279 -2.276 -1.505 1.00 0.00 C ATOM 1208 CG LEU A 77 -1.048 -2.846 -0.106 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.053 -3.895 -0.121 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.720 -1.725 0.860 1.00 0.00 C ATOM 0 H LEU A 77 -3.266 -3.501 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.973 -1.263 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.187 -3.082 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.492 -1.555 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.963 -3.336 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.198 -4.285 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.229 -4.709 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.981 -3.444 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.557 -2.138 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.182 -1.211 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.549 -1.018 0.892 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.659 -0.633 -3.901 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.634 0.429 -4.891 1.00 0.00 C ATOM 1224 C ASN A 78 -3.978 1.143 -4.865 1.00 0.00 C ATOM 1225 O ASN A 78 -4.056 2.365 -4.982 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.331 -0.146 -6.288 1.00 0.00 C ATOM 1227 CG ASN A 78 -3.206 0.429 -7.386 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -3.374 1.643 -7.493 1.00 0.00 O ATOM 1229 ND2 ASN A 78 -3.765 -0.448 -8.209 1.00 0.00 N ATOM 0 H ASN A 78 -2.785 -1.567 -4.291 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.844 1.143 -4.658 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.286 0.045 -6.531 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.460 -1.228 -6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.363 -0.125 -8.969 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.597 -1.446 -8.082 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.037 0.351 -4.688 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.387 0.881 -4.617 1.00 0.00 C ATOM 1238 C LEU A 79 -6.524 1.784 -3.395 1.00 0.00 C ATOM 1239 O LEU A 79 -6.834 2.968 -3.521 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.395 -0.272 -4.534 1.00 0.00 C ATOM 1241 CG LEU A 79 -8.233 -0.523 -5.792 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -7.354 -0.666 -7.018 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -9.095 -1.764 -5.619 1.00 0.00 C ATOM 0 H LEU A 79 -4.978 -0.663 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.590 1.465 -5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.852 -1.186 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.073 -0.077 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.881 0.341 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.978 -0.843 -7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.778 0.248 -7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.673 -1.506 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.683 -1.927 -6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.456 -2.629 -5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.764 -1.627 -4.770 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.258 1.223 -2.214 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.327 1.986 -0.977 1.00 0.00 C ATOM 1257 C ILE A 80 -5.152 2.946 -0.887 1.00 0.00 C ATOM 1258 O ILE A 80 -5.316 4.109 -0.517 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.373 1.091 0.279 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.839 1.909 1.481 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -5.019 0.478 0.564 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.733 2.723 2.123 1.00 0.00 C ATOM 0 H ILE A 80 -5.994 0.245 -2.093 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.262 2.545 -1.004 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.079 0.281 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.638 2.581 1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.264 1.236 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.083 -0.147 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.709 -0.131 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.288 1.270 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.135 3.279 2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.944 2.055 2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.324 3.421 1.392 1.00 0.00 H new ATOM 1274 N GLY A 81 -3.966 2.464 -1.259 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.794 3.317 -1.239 1.00 0.00 C ATOM 1276 C GLY A 81 -3.064 4.582 -2.012 1.00 0.00 C ATOM 1277 O GLY A 81 -2.853 5.686 -1.511 1.00 0.00 O ATOM 0 H GLY A 81 -3.800 1.507 -1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.528 3.560 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.944 2.791 -1.672 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.576 4.414 -3.229 1.00 0.00 N ATOM 1282 CA GLY A 82 -3.917 5.564 -4.047 1.00 0.00 C ATOM 1283 C GLY A 82 -4.798 6.544 -3.288 1.00 0.00 C ATOM 1284 O GLY A 82 -4.608 7.756 -3.381 1.00 0.00 O ATOM 0 H GLY A 82 -3.760 3.508 -3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.005 6.067 -4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.433 5.231 -4.948 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.753 6.023 -2.512 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.628 6.884 -1.722 1.00 0.00 C ATOM 1290 C LEU A 83 -5.809 7.712 -0.739 1.00 0.00 C ATOM 1291 O LEU A 83 -6.021 8.916 -0.603 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.659 6.063 -0.951 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.213 4.856 -1.696 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.324 4.207 -0.890 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.713 5.261 -3.074 1.00 0.00 C ATOM 0 H LEU A 83 -5.936 5.024 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.151 7.546 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.205 5.720 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.489 6.715 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.411 4.129 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.712 3.345 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.932 3.882 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.127 4.927 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.105 4.385 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.503 6.005 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.890 5.684 -3.650 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.867 7.060 -0.055 1.00 0.00 N ATOM 1308 CA ALA A 84 -4.020 7.755 0.911 1.00 0.00 C ATOM 1309 C ALA A 84 -3.315 8.934 0.262 1.00 0.00 C ATOM 1310 O ALA A 84 -3.025 9.939 0.911 1.00 0.00 O ATOM 1311 CB ALA A 84 -2.979 6.815 1.483 1.00 0.00 C ATOM 0 H ALA A 84 -4.674 6.063 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.664 8.116 1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.359 7.352 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.475 5.984 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.353 6.432 0.677 1.00 0.00 H new ATOM 1317 N VAL A 85 -3.039 8.793 -1.022 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.360 9.834 -1.777 1.00 0.00 C ATOM 1319 C VAL A 85 -3.345 10.870 -2.291 1.00 0.00 C ATOM 1320 O VAL A 85 -2.961 11.978 -2.667 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.527 9.274 -2.957 1.00 0.00 C ATOM 1322 CG1 VAL A 85 -0.079 9.671 -2.783 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.626 7.757 -3.076 1.00 0.00 C ATOM 0 H VAL A 85 -3.275 7.964 -1.567 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.668 10.308 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.935 9.699 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.508 9.278 -3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.001 10.758 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.300 9.264 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.023 7.418 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.260 7.295 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.666 7.472 -3.235 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.613 10.503 -2.303 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.658 11.391 -2.767 1.00 0.00 C ATOM 1335 C ALA A 86 -6.600 11.775 -1.631 1.00 0.00 C ATOM 1336 O ALA A 86 -7.677 12.323 -1.863 1.00 0.00 O ATOM 1337 CB ALA A 86 -6.416 10.709 -3.880 1.00 0.00 C ATOM 0 H ALA A 86 -4.944 9.589 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.208 12.311 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.207 11.368 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.734 10.482 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.856 9.784 -3.507 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.190 11.481 -0.400 1.00 0.00 N ATOM 1344 CA CYS A 87 -7.001 11.792 0.769 1.00 0.00 C ATOM 1345 C CYS A 87 -6.136 12.015 2.007 1.00 0.00 C ATOM 1346 O CYS A 87 -6.441 12.874 2.835 1.00 0.00 O ATOM 1347 CB CYS A 87 -8.004 10.666 1.031 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.618 11.237 1.612 1.00 0.00 S ATOM 0 H CYS A 87 -5.301 11.028 -0.188 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.540 12.717 0.562 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.141 10.095 0.113 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.584 9.984 1.770 1.00 0.00 H new ATOM 0 HG CYS A 87 -10.217 10.273 2.246 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.060 11.240 2.138 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.174 11.373 3.292 1.00 0.00 C ATOM 1356 C HIS A 88 -3.071 12.393 3.029 1.00 0.00 C ATOM 1357 O HIS A 88 -3.100 13.113 2.030 1.00 0.00 O ATOM 1358 CB HIS A 88 -3.563 10.019 3.662 1.00 0.00 C ATOM 1359 CG HIS A 88 -4.054 9.484 4.972 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -5.062 8.547 5.074 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -3.669 9.757 6.242 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -5.274 8.269 6.348 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -4.442 8.989 7.076 1.00 0.00 N ATOM 0 H HIS A 88 -4.784 10.522 1.468 1.00 0.00 H new ATOM 0 HA HIS A 88 -4.774 11.730 4.130 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.790 9.299 2.876 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -2.478 10.117 3.701 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -5.565 8.134 4.289 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.897 10.450 6.542 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.005 7.571 6.729 1.00 0.00 H new ATOM 1372 N GLU A 89 -2.104 12.458 3.940 1.00 0.00 N ATOM 1373 CA GLU A 89 -0.996 13.398 3.818 1.00 0.00 C ATOM 1374 C GLU A 89 0.140 12.815 2.978 1.00 0.00 C ATOM 1375 O GLU A 89 1.288 12.761 3.419 1.00 0.00 O ATOM 1376 CB GLU A 89 -0.475 13.782 5.204 1.00 0.00 C ATOM 1377 CG GLU A 89 0.017 12.598 6.020 1.00 0.00 C ATOM 1378 CD GLU A 89 -0.967 12.181 7.094 1.00 0.00 C ATOM 1379 OE1 GLU A 89 -2.157 12.545 6.983 1.00 0.00 O ATOM 1380 OE2 GLU A 89 -0.549 11.489 8.047 1.00 0.00 O ATOM 0 H GLU A 89 -2.066 11.869 4.772 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.368 14.289 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.339 14.498 5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.269 14.287 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.202 11.755 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.970 12.852 6.484 1.00 0.00 H new ATOM 1387 N SER A 90 -0.185 12.391 1.761 1.00 0.00 N ATOM 1388 CA SER A 90 0.812 11.827 0.858 1.00 0.00 C ATOM 1389 C SER A 90 0.941 12.686 -0.395 1.00 0.00 C ATOM 1390 O SER A 90 2.045 13.034 -0.813 1.00 0.00 O ATOM 1391 CB SER A 90 0.442 10.393 0.477 1.00 0.00 C ATOM 1392 OG SER A 90 1.111 9.457 1.304 1.00 0.00 O ATOM 0 H SER A 90 -1.130 12.427 1.378 1.00 0.00 H new ATOM 0 HA SER A 90 1.772 11.813 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.636 10.256 0.566 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.701 10.212 -0.566 1.00 0.00 H new ATOM 0 HG SER A 90 0.985 8.554 0.944 1.00 0.00 H new ATOM 1398 N PHE A 91 -0.200 13.035 -0.983 1.00 0.00 N ATOM 1399 CA PHE A 91 -0.222 13.867 -2.179 1.00 0.00 C ATOM 1400 C PHE A 91 -1.291 14.950 -2.055 1.00 0.00 C ATOM 1401 O PHE A 91 -0.986 16.089 -1.707 1.00 0.00 O ATOM 1402 CB PHE A 91 -0.471 13.017 -3.428 1.00 0.00 C ATOM 1403 CG PHE A 91 0.744 12.855 -4.295 1.00 0.00 C ATOM 1404 CD1 PHE A 91 1.856 12.172 -3.830 1.00 0.00 C ATOM 1405 CD2 PHE A 91 0.776 13.388 -5.573 1.00 0.00 C ATOM 1406 CE1 PHE A 91 2.978 12.022 -4.625 1.00 0.00 C ATOM 1407 CE2 PHE A 91 1.894 13.243 -6.373 1.00 0.00 C ATOM 1408 CZ PHE A 91 2.997 12.559 -5.898 1.00 0.00 C ATOM 0 H PHE A 91 -1.122 12.753 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 91 0.752 14.346 -2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -0.824 12.032 -3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.268 13.473 -4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.847 11.752 -2.835 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.083 13.924 -5.949 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.838 11.486 -4.251 1.00 0.00 H new ATOM 0 HE2 PHE A 91 1.906 13.664 -7.368 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.872 12.444 -6.521 1.00 0.00 H new ATOM 1418 N VAL A 92 -2.543 14.582 -2.339 1.00 0.00 N ATOM 1419 CA VAL A 92 -3.673 15.508 -2.254 1.00 0.00 C ATOM 1420 C VAL A 92 -3.370 16.868 -2.889 1.00 0.00 C ATOM 1421 O VAL A 92 -4.046 17.854 -2.607 1.00 0.00 O ATOM 1422 CB VAL A 92 -4.096 15.713 -0.790 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -4.292 14.370 -0.101 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -3.069 16.556 -0.048 1.00 0.00 C ATOM 0 H VAL A 92 -2.800 13.640 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.488 15.052 -2.816 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.046 16.247 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.591 14.533 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.068 13.805 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.358 13.809 -0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.387 16.690 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.102 16.053 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.982 17.530 -0.529 1.00 0.00 H new ATOM 1638 N THR B 4 -10.897 4.189 12.669 1.00 0.00 N ATOM 1639 CA THR B 4 -11.155 2.878 12.087 1.00 0.00 C ATOM 1640 C THR B 4 -9.869 2.084 11.926 1.00 0.00 C ATOM 1641 O THR B 4 -8.811 2.634 11.623 1.00 0.00 O ATOM 1642 CB THR B 4 -11.874 3.014 10.737 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.686 1.851 9.948 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.415 4.201 9.916 1.00 0.00 C ATOM 0 HA THR B 4 -11.804 2.333 12.772 1.00 0.00 H new ATOM 0 HB THR B 4 -12.924 3.159 10.992 1.00 0.00 H new ATOM 0 HG1 THR B 4 -11.896 2.053 9.012 1.00 0.00 H new ATOM 0 HG21 THR B 4 -11.968 4.230 8.977 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.597 5.120 10.473 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.349 4.108 9.706 1.00 0.00 H new ATOM 1652 N GLU B 5 -9.980 0.779 12.134 1.00 0.00 N ATOM 1653 CA GLU B 5 -8.847 -0.128 12.020 1.00 0.00 C ATOM 1654 C GLU B 5 -8.033 0.171 10.765 1.00 0.00 C ATOM 1655 O GLU B 5 -6.802 0.179 10.796 1.00 0.00 O ATOM 1656 CB GLU B 5 -9.358 -1.564 11.993 1.00 0.00 C ATOM 1657 CG GLU B 5 -8.504 -2.533 12.793 1.00 0.00 C ATOM 1658 CD GLU B 5 -7.624 -3.397 11.913 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -8.169 -4.261 11.195 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -6.389 -3.212 11.942 1.00 0.00 O ATOM 0 H GLU B 5 -10.856 0.321 12.386 1.00 0.00 H new ATOM 0 HA GLU B 5 -8.192 0.011 12.880 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -10.376 -1.585 12.382 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -9.405 -1.904 10.958 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -7.878 -1.972 13.487 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -9.152 -3.173 13.393 1.00 0.00 H new ATOM 1667 N THR B 6 -8.732 0.436 9.669 1.00 0.00 N ATOM 1668 CA THR B 6 -8.082 0.758 8.407 1.00 0.00 C ATOM 1669 C THR B 6 -7.385 2.107 8.509 1.00 0.00 C ATOM 1670 O THR B 6 -6.287 2.293 7.994 1.00 0.00 O ATOM 1671 CB THR B 6 -9.110 0.789 7.277 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.169 -0.113 7.540 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.526 0.434 5.929 1.00 0.00 C ATOM 0 H THR B 6 -9.751 0.434 9.629 1.00 0.00 H new ATOM 0 HA THR B 6 -7.340 -0.011 8.189 1.00 0.00 H new ATOM 0 HB THR B 6 -9.469 1.818 7.238 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.985 0.391 7.742 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.308 0.475 5.171 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.738 1.143 5.676 1.00 0.00 H new ATOM 0 HG23 THR B 6 -8.110 -0.573 5.967 1.00 0.00 H new ATOM 1681 N GLU B 7 -8.025 3.045 9.195 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.463 4.380 9.368 1.00 0.00 C ATOM 1683 C GLU B 7 -6.033 4.293 9.888 1.00 0.00 C ATOM 1684 O GLU B 7 -5.182 5.112 9.537 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.326 5.200 10.335 1.00 0.00 C ATOM 1686 CG GLU B 7 -8.936 6.440 9.701 1.00 0.00 C ATOM 1687 CD GLU B 7 -8.563 7.714 10.435 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -7.452 7.769 11.003 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -9.381 8.657 10.441 1.00 0.00 O ATOM 0 H GLU B 7 -8.932 2.907 9.640 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.452 4.877 8.398 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -9.126 4.568 10.721 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.717 5.500 11.188 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -8.607 6.513 8.664 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -10.021 6.339 9.685 1.00 0.00 H new ATOM 1696 N ARG B 8 -5.770 3.283 10.707 1.00 0.00 N ATOM 1697 CA ARG B 8 -4.437 3.073 11.252 1.00 0.00 C ATOM 1698 C ARG B 8 -3.538 2.393 10.221 1.00 0.00 C ATOM 1699 O ARG B 8 -2.318 2.552 10.247 1.00 0.00 O ATOM 1700 CB ARG B 8 -4.507 2.229 12.526 1.00 0.00 C ATOM 1701 CG ARG B 8 -4.707 3.048 13.791 1.00 0.00 C ATOM 1702 CD ARG B 8 -6.126 2.920 14.322 1.00 0.00 C ATOM 1703 NE ARG B 8 -6.175 3.006 15.781 1.00 0.00 N ATOM 1704 CZ ARG B 8 -6.120 4.151 16.457 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -6.011 5.307 15.813 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -6.173 4.141 17.783 1.00 0.00 N ATOM 0 H ARG B 8 -6.462 2.597 11.008 1.00 0.00 H new ATOM 0 HA ARG B 8 -4.011 4.046 11.499 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.325 1.514 12.433 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -3.588 1.651 12.619 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -4.001 2.719 14.554 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -4.488 4.096 13.585 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -6.746 3.706 13.892 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -6.549 1.968 14.001 1.00 0.00 H new ATOM 0 HE ARG B 8 -6.256 2.138 16.311 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -5.969 5.321 14.794 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -5.969 6.181 16.337 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -6.256 3.256 18.283 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -6.131 5.018 18.302 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.152 1.628 9.317 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.406 0.916 8.282 1.00 0.00 C ATOM 1721 C CYS B 9 -2.808 1.886 7.266 1.00 0.00 C ATOM 1722 O CYS B 9 -1.645 1.759 6.883 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.309 -0.122 7.584 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.270 0.494 6.177 1.00 0.00 S ATOM 0 H CYS B 9 -5.162 1.487 9.282 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.581 0.389 8.762 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.685 -0.947 7.241 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.000 -0.530 8.322 1.00 0.00 H new ATOM 0 HG CYS B 9 -5.986 1.512 6.553 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.608 2.851 6.828 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.155 3.829 5.853 1.00 0.00 C ATOM 1732 C ILE B 10 -2.062 4.721 6.427 1.00 0.00 C ATOM 1733 O ILE B 10 -0.973 4.816 5.867 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.319 4.715 5.372 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.516 3.855 4.971 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.879 5.581 4.204 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.653 3.893 5.959 1.00 0.00 C ATOM 0 H ILE B 10 -4.573 2.975 7.134 1.00 0.00 H new ATOM 0 HA ILE B 10 -2.753 3.269 5.009 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.618 5.365 6.194 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -5.881 4.188 3.999 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.186 2.823 4.851 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.713 6.201 3.876 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.053 6.220 4.516 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.555 4.944 3.381 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.465 3.258 5.604 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.306 3.531 6.927 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -7.012 4.917 6.062 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.360 5.378 7.541 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.403 6.277 8.179 1.00 0.00 C ATOM 1751 C GLU B 11 -0.060 5.596 8.412 1.00 0.00 C ATOM 1752 O GLU B 11 0.978 6.257 8.471 1.00 0.00 O ATOM 1753 CB GLU B 11 -1.965 6.798 9.502 1.00 0.00 C ATOM 1754 CG GLU B 11 -2.050 8.314 9.560 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.454 8.885 10.833 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -0.345 8.456 11.214 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -2.096 9.763 11.446 1.00 0.00 O ATOM 0 H GLU B 11 -3.256 5.306 8.022 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.238 7.116 7.503 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.959 6.379 9.658 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.338 6.444 10.320 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.531 8.736 8.699 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -3.094 8.619 9.484 1.00 0.00 H new ATOM 1764 N SER B 12 -0.084 4.280 8.558 1.00 0.00 N ATOM 1765 CA SER B 12 1.134 3.523 8.800 1.00 0.00 C ATOM 1766 C SER B 12 2.043 3.489 7.566 1.00 0.00 C ATOM 1767 O SER B 12 3.213 3.856 7.648 1.00 0.00 O ATOM 1768 CB SER B 12 0.779 2.101 9.235 1.00 0.00 C ATOM 1769 OG SER B 12 1.691 1.624 10.209 1.00 0.00 O ATOM 0 H SER B 12 -0.932 3.715 8.513 1.00 0.00 H new ATOM 0 HA SER B 12 1.686 4.023 9.596 1.00 0.00 H new ATOM 0 HB2 SER B 12 -0.233 2.083 9.640 1.00 0.00 H new ATOM 0 HB3 SER B 12 0.788 1.439 8.369 1.00 0.00 H new ATOM 0 HG SER B 12 2.517 2.149 10.169 1.00 0.00 H new ATOM 1775 N LEU B 13 1.513 3.031 6.432 1.00 0.00 N ATOM 1776 CA LEU B 13 2.292 2.930 5.202 1.00 0.00 C ATOM 1777 C LEU B 13 2.670 4.296 4.616 1.00 0.00 C ATOM 1778 O LEU B 13 3.684 4.428 3.933 1.00 0.00 O ATOM 1779 CB LEU B 13 1.525 2.104 4.181 1.00 0.00 C ATOM 1780 CG LEU B 13 1.833 0.609 4.220 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.312 0.362 3.979 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.419 -0.006 5.544 1.00 0.00 C ATOM 0 H LEU B 13 0.545 2.724 6.342 1.00 0.00 H new ATOM 0 HA LEU B 13 3.231 2.436 5.452 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.457 2.247 4.345 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.748 2.483 3.184 1.00 0.00 H new ATOM 0 HG LEU B 13 1.257 0.134 3.426 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.512 -0.709 4.011 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.592 0.755 3.002 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.895 0.863 4.752 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.652 -1.071 5.539 1.00 0.00 H new ATOM 0 HD22 LEU B 13 1.960 0.480 6.356 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.347 0.130 5.689 1.00 0.00 H new ATOM 1794 N ILE B 14 1.873 5.311 4.881 1.00 0.00 N ATOM 1795 CA ILE B 14 2.170 6.639 4.382 1.00 0.00 C ATOM 1796 C ILE B 14 3.377 7.212 5.072 1.00 0.00 C ATOM 1797 O ILE B 14 4.141 7.967 4.489 1.00 0.00 O ATOM 1798 CB ILE B 14 1.035 7.608 4.673 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.308 7.029 4.295 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.275 8.913 3.963 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.407 7.609 5.136 1.00 0.00 C ATOM 0 H ILE B 14 1.020 5.243 5.436 1.00 0.00 H new ATOM 0 HA ILE B 14 2.330 6.529 3.310 1.00 0.00 H new ATOM 0 HB ILE B 14 1.015 7.789 5.748 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.509 7.228 3.242 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.287 5.946 4.417 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.457 9.600 4.178 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.213 9.347 4.308 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.329 8.738 2.889 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.361 7.172 4.840 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.217 7.387 6.186 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.443 8.689 4.994 1.00 0.00 H new ATOM 1813 N ALA B 15 3.487 6.880 6.339 1.00 0.00 N ATOM 1814 CA ALA B 15 4.536 7.388 7.189 1.00 0.00 C ATOM 1815 C ALA B 15 5.867 6.690 6.956 1.00 0.00 C ATOM 1816 O ALA B 15 6.927 7.287 7.141 1.00 0.00 O ATOM 1817 CB ALA B 15 4.062 7.262 8.620 1.00 0.00 C ATOM 0 H ALA B 15 2.844 6.244 6.811 1.00 0.00 H new ATOM 0 HA ALA B 15 4.729 8.434 6.951 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.833 7.638 9.293 1.00 0.00 H new ATOM 0 HB2 ALA B 15 3.149 7.842 8.753 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.862 6.215 8.846 1.00 0.00 H new ATOM 1823 N VAL B 16 5.816 5.439 6.525 1.00 0.00 N ATOM 1824 CA VAL B 16 7.025 4.695 6.245 1.00 0.00 C ATOM 1825 C VAL B 16 7.788 5.352 5.103 1.00 0.00 C ATOM 1826 O VAL B 16 9.019 5.374 5.087 1.00 0.00 O ATOM 1827 CB VAL B 16 6.696 3.243 5.855 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.940 2.553 6.954 1.00 0.00 C ATOM 1829 CG2 VAL B 16 5.867 3.199 4.594 1.00 0.00 C ATOM 0 H VAL B 16 4.951 4.923 6.363 1.00 0.00 H new ATOM 0 HA VAL B 16 7.636 4.692 7.148 1.00 0.00 H new ATOM 0 HB VAL B 16 7.643 2.730 5.686 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.719 1.528 6.656 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.544 2.544 7.861 1.00 0.00 H new ATOM 0 HG13 VAL B 16 5.008 3.085 7.144 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.647 2.162 4.339 1.00 0.00 H new ATOM 0 HG22 VAL B 16 4.934 3.739 4.753 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.421 3.664 3.778 1.00 0.00 H new ATOM 1839 N PHE B 17 7.033 5.862 4.134 1.00 0.00 N ATOM 1840 CA PHE B 17 7.632 6.499 2.955 1.00 0.00 C ATOM 1841 C PHE B 17 8.075 7.942 3.218 1.00 0.00 C ATOM 1842 O PHE B 17 9.250 8.269 3.061 1.00 0.00 O ATOM 1843 CB PHE B 17 6.638 6.455 1.780 1.00 0.00 C ATOM 1844 CG PHE B 17 6.521 7.741 1.005 1.00 0.00 C ATOM 1845 CD1 PHE B 17 7.595 8.228 0.277 1.00 0.00 C ATOM 1846 CD2 PHE B 17 5.336 8.460 1.008 1.00 0.00 C ATOM 1847 CE1 PHE B 17 7.490 9.408 -0.434 1.00 0.00 C ATOM 1848 CE2 PHE B 17 5.225 9.641 0.298 1.00 0.00 C ATOM 1849 CZ PHE B 17 6.303 10.116 -0.423 1.00 0.00 C ATOM 0 H PHE B 17 6.013 5.849 4.137 1.00 0.00 H new ATOM 0 HA PHE B 17 8.531 5.935 2.706 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.940 5.661 1.097 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.654 6.188 2.165 1.00 0.00 H new ATOM 0 HD1 PHE B 17 8.525 7.679 0.265 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.490 8.094 1.571 1.00 0.00 H new ATOM 0 HE1 PHE B 17 8.334 9.777 -0.998 1.00 0.00 H new ATOM 0 HE2 PHE B 17 4.296 10.192 0.307 1.00 0.00 H new ATOM 0 HZ PHE B 17 6.219 11.039 -0.977 1.00 0.00 H new ATOM 1859 N GLN B 18 7.132 8.805 3.593 1.00 0.00 N ATOM 1860 CA GLN B 18 7.443 10.215 3.837 1.00 0.00 C ATOM 1861 C GLN B 18 8.505 10.398 4.911 1.00 0.00 C ATOM 1862 O GLN B 18 9.219 11.400 4.908 1.00 0.00 O ATOM 1863 CB GLN B 18 6.192 11.006 4.216 1.00 0.00 C ATOM 1864 CG GLN B 18 5.224 10.241 5.089 1.00 0.00 C ATOM 1865 CD GLN B 18 3.801 10.727 4.934 1.00 0.00 C ATOM 1866 OE1 GLN B 18 3.128 11.049 5.914 1.00 0.00 O ATOM 1867 NE2 GLN B 18 3.335 10.784 3.693 1.00 0.00 N ATOM 0 H GLN B 18 6.153 8.556 3.734 1.00 0.00 H new ATOM 0 HA GLN B 18 7.840 10.602 2.899 1.00 0.00 H new ATOM 0 HB2 GLN B 18 6.493 11.916 4.735 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.679 11.314 3.305 1.00 0.00 H new ATOM 0 HG2 GLN B 18 5.273 9.181 4.839 1.00 0.00 H new ATOM 0 HG3 GLN B 18 5.526 10.336 6.132 1.00 0.00 H new ATOM 0 HE21 GLN B 18 3.929 10.507 2.912 1.00 0.00 H new ATOM 0 HE22 GLN B 18 2.382 11.105 3.520 1.00 0.00 H new ATOM 1876 N LYS B 19 8.618 9.446 5.835 1.00 0.00 N ATOM 1877 CA LYS B 19 9.617 9.563 6.895 1.00 0.00 C ATOM 1878 C LYS B 19 10.983 9.854 6.285 1.00 0.00 C ATOM 1879 O LYS B 19 11.636 10.836 6.639 1.00 0.00 O ATOM 1880 CB LYS B 19 9.670 8.275 7.723 1.00 0.00 C ATOM 1881 CG LYS B 19 10.720 8.297 8.822 1.00 0.00 C ATOM 1882 CD LYS B 19 10.192 8.955 10.086 1.00 0.00 C ATOM 1883 CE LYS B 19 9.000 8.200 10.650 1.00 0.00 C ATOM 1884 NZ LYS B 19 8.821 8.453 12.107 1.00 0.00 N ATOM 0 H LYS B 19 8.045 8.603 5.873 1.00 0.00 H new ATOM 0 HA LYS B 19 9.338 10.385 7.554 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.692 8.101 8.171 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.870 7.434 7.058 1.00 0.00 H new ATOM 0 HG2 LYS B 19 11.035 7.278 9.046 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.602 8.834 8.473 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.984 8.997 10.834 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.903 9.983 9.869 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.097 8.497 10.116 1.00 0.00 H new ATOM 0 HE3 LYS B 19 9.134 7.132 10.481 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 7.998 7.920 12.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.672 8.147 12.620 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 8.668 9.469 12.267 1.00 0.00 H new ATOM 1898 N TYR B 20 11.378 9.029 5.323 1.00 0.00 N ATOM 1899 CA TYR B 20 12.630 9.231 4.611 1.00 0.00 C ATOM 1900 C TYR B 20 12.429 10.288 3.534 1.00 0.00 C ATOM 1901 O TYR B 20 13.352 11.014 3.160 1.00 0.00 O ATOM 1902 CB TYR B 20 13.128 7.920 4.003 1.00 0.00 C ATOM 1903 CG TYR B 20 14.182 7.238 4.845 1.00 0.00 C ATOM 1904 CD1 TYR B 20 13.854 6.665 6.068 1.00 0.00 C ATOM 1905 CD2 TYR B 20 15.504 7.173 4.425 1.00 0.00 C ATOM 1906 CE1 TYR B 20 14.813 6.045 6.846 1.00 0.00 C ATOM 1907 CE2 TYR B 20 16.470 6.554 5.198 1.00 0.00 C ATOM 1908 CZ TYR B 20 16.118 5.993 6.406 1.00 0.00 C ATOM 1909 OH TYR B 20 17.076 5.376 7.179 1.00 0.00 O ATOM 0 H TYR B 20 10.847 8.213 5.019 1.00 0.00 H new ATOM 0 HA TYR B 20 13.390 9.575 5.312 1.00 0.00 H new ATOM 0 HB2 TYR B 20 12.283 7.244 3.871 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.536 8.118 3.012 1.00 0.00 H new ATOM 0 HD1 TYR B 20 12.832 6.705 6.416 1.00 0.00 H new ATOM 0 HD2 TYR B 20 15.783 7.613 3.479 1.00 0.00 H new ATOM 0 HE1 TYR B 20 14.541 5.604 7.794 1.00 0.00 H new ATOM 0 HE2 TYR B 20 17.494 6.511 4.857 1.00 0.00 H new ATOM 0 HH TYR B 20 16.662 4.659 7.703 1.00 0.00 H new ATOM 1919 N ALA B 21 11.195 10.342 3.036 1.00 0.00 N ATOM 1920 CA ALA B 21 10.797 11.270 1.990 1.00 0.00 C ATOM 1921 C ALA B 21 10.440 12.649 2.547 1.00 0.00 C ATOM 1922 O ALA B 21 9.748 13.428 1.891 1.00 0.00 O ATOM 1923 CB ALA B 21 9.615 10.678 1.240 1.00 0.00 C ATOM 0 H ALA B 21 10.439 9.735 3.353 1.00 0.00 H new ATOM 0 HA ALA B 21 11.640 11.414 1.315 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.304 11.363 0.451 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.905 9.724 0.799 1.00 0.00 H new ATOM 0 HB3 ALA B 21 8.787 10.521 1.931 1.00 0.00 H new ATOM 1929 N GLY B 22 10.912 12.950 3.754 1.00 0.00 N ATOM 1930 CA GLY B 22 10.625 14.237 4.359 1.00 0.00 C ATOM 1931 C GLY B 22 9.331 14.232 5.149 1.00 0.00 C ATOM 1932 O GLY B 22 8.272 13.896 4.618 1.00 0.00 O ATOM 0 H GLY B 22 11.486 12.327 4.322 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.448 14.517 5.017 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.568 14.997 3.579 1.00 0.00 H new ATOM 2006 N VAL B 28 7.778 15.481 -2.805 1.00 0.00 N ATOM 2007 CA VAL B 28 6.884 14.367 -2.523 1.00 0.00 C ATOM 2008 C VAL B 28 7.451 13.056 -3.062 1.00 0.00 C ATOM 2009 O VAL B 28 6.714 12.203 -3.557 1.00 0.00 O ATOM 2010 CB VAL B 28 5.486 14.601 -3.129 1.00 0.00 C ATOM 2011 CG1 VAL B 28 4.770 15.732 -2.404 1.00 0.00 C ATOM 2012 CG2 VAL B 28 5.593 14.894 -4.618 1.00 0.00 C ATOM 0 HA VAL B 28 6.793 14.300 -1.439 1.00 0.00 H new ATOM 0 HB VAL B 28 4.898 13.692 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL B 28 3.785 15.882 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL B 28 4.659 15.476 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL B 28 5.352 16.649 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL B 28 4.597 15.057 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.199 15.787 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL B 28 6.060 14.048 -5.123 1.00 0.00 H new ATOM 2022 N THR B 29 8.769 12.902 -2.960 1.00 0.00 N ATOM 2023 CA THR B 29 9.441 11.700 -3.433 1.00 0.00 C ATOM 2024 C THR B 29 10.638 11.361 -2.554 1.00 0.00 C ATOM 2025 O THR B 29 11.177 12.220 -1.856 1.00 0.00 O ATOM 2026 CB THR B 29 9.901 11.875 -4.877 1.00 0.00 C ATOM 2027 OG1 THR B 29 10.456 13.162 -5.078 1.00 0.00 O ATOM 2028 CG2 THR B 29 8.789 11.688 -5.881 1.00 0.00 C ATOM 0 H THR B 29 9.392 13.599 -2.552 1.00 0.00 H new ATOM 0 HA THR B 29 8.725 10.879 -3.382 1.00 0.00 H new ATOM 0 HB THR B 29 10.649 11.099 -5.039 1.00 0.00 H new ATOM 0 HG1 THR B 29 10.746 13.251 -6.010 1.00 0.00 H new ATOM 0 HG21 THR B 29 9.182 11.826 -6.889 1.00 0.00 H new ATOM 0 HG22 THR B 29 8.378 10.683 -5.786 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.003 12.420 -5.695 1.00 0.00 H new ATOM 2036 N LEU B 30 11.050 10.102 -2.603 1.00 0.00 N ATOM 2037 CA LEU B 30 12.190 9.631 -1.823 1.00 0.00 C ATOM 2038 C LEU B 30 13.296 9.149 -2.759 1.00 0.00 C ATOM 2039 O LEU B 30 13.349 9.555 -3.918 1.00 0.00 O ATOM 2040 CB LEU B 30 11.754 8.496 -0.881 1.00 0.00 C ATOM 2041 CG LEU B 30 12.433 8.441 0.504 1.00 0.00 C ATOM 2042 CD1 LEU B 30 13.087 7.086 0.725 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.462 9.551 0.678 1.00 0.00 C ATOM 0 H LEU B 30 10.610 9.383 -3.178 1.00 0.00 H new ATOM 0 HA LEU B 30 12.573 10.454 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.678 8.576 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.935 7.547 -1.386 1.00 0.00 H new ATOM 0 HG LEU B 30 11.653 8.590 1.251 1.00 0.00 H new ATOM 0 HD11 LEU B 30 13.560 7.066 1.707 1.00 0.00 H new ATOM 0 HD12 LEU B 30 12.330 6.304 0.671 1.00 0.00 H new ATOM 0 HD13 LEU B 30 13.840 6.916 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.915 9.475 1.666 1.00 0.00 H new ATOM 0 HD22 LEU B 30 14.235 9.453 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU B 30 12.973 10.520 0.577 1.00 0.00 H new ATOM 2055 N SER B 31 14.161 8.272 -2.271 1.00 0.00 N ATOM 2056 CA SER B 31 15.238 7.737 -3.088 1.00 0.00 C ATOM 2057 C SER B 31 15.397 6.242 -2.850 1.00 0.00 C ATOM 2058 O SER B 31 15.361 5.775 -1.712 1.00 0.00 O ATOM 2059 CB SER B 31 16.549 8.468 -2.790 1.00 0.00 C ATOM 2060 OG SER B 31 17.664 7.598 -2.896 1.00 0.00 O ATOM 0 H SER B 31 14.138 7.917 -1.315 1.00 0.00 H new ATOM 0 HA SER B 31 14.985 7.894 -4.137 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.668 9.301 -3.483 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.511 8.892 -1.786 1.00 0.00 H new ATOM 0 HG SER B 31 18.486 8.095 -2.702 1.00 0.00 H new ATOM 2066 N LYS B 32 15.572 5.496 -3.933 1.00 0.00 N ATOM 2067 CA LYS B 32 15.736 4.050 -3.849 1.00 0.00 C ATOM 2068 C LYS B 32 16.797 3.688 -2.817 1.00 0.00 C ATOM 2069 O LYS B 32 16.644 2.723 -2.069 1.00 0.00 O ATOM 2070 CB LYS B 32 16.129 3.477 -5.214 1.00 0.00 C ATOM 2071 CG LYS B 32 15.125 3.775 -6.317 1.00 0.00 C ATOM 2072 CD LYS B 32 15.680 3.417 -7.688 1.00 0.00 C ATOM 2073 CE LYS B 32 16.007 4.661 -8.500 1.00 0.00 C ATOM 2074 NZ LYS B 32 16.559 4.316 -9.840 1.00 0.00 N ATOM 0 H LYS B 32 15.604 5.869 -4.882 1.00 0.00 H new ATOM 0 HA LYS B 32 14.783 3.619 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS B 32 17.100 3.880 -5.501 1.00 0.00 H new ATOM 0 HB3 LYS B 32 16.246 2.397 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS B 32 14.208 3.214 -6.137 1.00 0.00 H new ATOM 0 HG3 LYS B 32 14.862 4.832 -6.295 1.00 0.00 H new ATOM 0 HD2 LYS B 32 16.579 2.811 -7.571 1.00 0.00 H new ATOM 0 HD3 LYS B 32 14.954 2.809 -8.228 1.00 0.00 H new ATOM 0 HE2 LYS B 32 15.107 5.263 -8.622 1.00 0.00 H new ATOM 0 HE3 LYS B 32 16.728 5.272 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 16.770 5.189 -10.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 17.432 3.763 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 15.861 3.755 -10.369 1.00 0.00 H new ATOM 2088 N THR B 33 17.871 4.468 -2.784 1.00 0.00 N ATOM 2089 CA THR B 33 18.958 4.234 -1.852 1.00 0.00 C ATOM 2090 C THR B 33 18.570 4.648 -0.432 1.00 0.00 C ATOM 2091 O THR B 33 18.836 3.926 0.524 1.00 0.00 O ATOM 2092 CB THR B 33 20.206 4.990 -2.307 1.00 0.00 C ATOM 2093 OG1 THR B 33 20.963 4.209 -3.215 1.00 0.00 O ATOM 2094 CG2 THR B 33 21.114 5.376 -1.167 1.00 0.00 C ATOM 0 H THR B 33 18.009 5.271 -3.397 1.00 0.00 H new ATOM 0 HA THR B 33 19.173 3.165 -1.839 1.00 0.00 H new ATOM 0 HB THR B 33 19.838 5.899 -2.782 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.756 4.711 -3.496 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.981 5.909 -1.557 1.00 0.00 H new ATOM 0 HG22 THR B 33 20.573 6.020 -0.473 1.00 0.00 H new ATOM 0 HG23 THR B 33 21.445 4.478 -0.645 1.00 0.00 H new ATOM 2102 N GLU B 34 17.946 5.812 -0.290 1.00 0.00 N ATOM 2103 CA GLU B 34 17.541 6.282 1.028 1.00 0.00 C ATOM 2104 C GLU B 34 16.578 5.286 1.663 1.00 0.00 C ATOM 2105 O GLU B 34 16.520 5.144 2.887 1.00 0.00 O ATOM 2106 CB GLU B 34 16.893 7.665 0.929 1.00 0.00 C ATOM 2107 CG GLU B 34 17.463 8.672 1.913 1.00 0.00 C ATOM 2108 CD GLU B 34 16.544 9.857 2.135 1.00 0.00 C ATOM 2109 OE1 GLU B 34 16.613 10.820 1.342 1.00 0.00 O ATOM 2110 OE2 GLU B 34 15.752 9.823 3.101 1.00 0.00 O ATOM 0 H GLU B 34 17.712 6.439 -1.060 1.00 0.00 H new ATOM 0 HA GLU B 34 18.427 6.365 1.658 1.00 0.00 H new ATOM 0 HB2 GLU B 34 17.021 8.046 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.821 7.568 1.100 1.00 0.00 H new ATOM 0 HG2 GLU B 34 17.648 8.177 2.866 1.00 0.00 H new ATOM 0 HG3 GLU B 34 18.426 9.028 1.546 1.00 0.00 H new ATOM 2117 N PHE B 35 15.836 4.583 0.818 1.00 0.00 N ATOM 2118 CA PHE B 35 14.885 3.589 1.289 1.00 0.00 C ATOM 2119 C PHE B 35 15.611 2.323 1.741 1.00 0.00 C ATOM 2120 O PHE B 35 15.119 1.592 2.600 1.00 0.00 O ATOM 2121 CB PHE B 35 13.848 3.271 0.206 1.00 0.00 C ATOM 2122 CG PHE B 35 12.557 4.013 0.394 1.00 0.00 C ATOM 2123 CD1 PHE B 35 11.943 4.063 1.635 1.00 0.00 C ATOM 2124 CD2 PHE B 35 11.962 4.663 -0.670 1.00 0.00 C ATOM 2125 CE1 PHE B 35 10.755 4.749 1.807 1.00 0.00 C ATOM 2126 CE2 PHE B 35 10.775 5.350 -0.506 1.00 0.00 C ATOM 2127 CZ PHE B 35 10.170 5.393 0.735 1.00 0.00 C ATOM 0 H PHE B 35 15.875 4.684 -0.196 1.00 0.00 H new ATOM 0 HA PHE B 35 14.356 4.001 2.148 1.00 0.00 H new ATOM 0 HB2 PHE B 35 14.264 3.518 -0.771 1.00 0.00 H new ATOM 0 HB3 PHE B 35 13.648 2.199 0.206 1.00 0.00 H new ATOM 0 HD1 PHE B 35 12.397 3.561 2.477 1.00 0.00 H new ATOM 0 HD2 PHE B 35 12.431 4.634 -1.642 1.00 0.00 H new ATOM 0 HE1 PHE B 35 10.285 4.781 2.779 1.00 0.00 H new ATOM 0 HE2 PHE B 35 10.321 5.853 -1.347 1.00 0.00 H new ATOM 0 HZ PHE B 35 9.242 5.929 0.866 1.00 0.00 H new ATOM 2137 N LEU B 36 16.794 2.076 1.172 1.00 0.00 N ATOM 2138 CA LEU B 36 17.589 0.908 1.537 1.00 0.00 C ATOM 2139 C LEU B 36 17.761 0.830 3.038 1.00 0.00 C ATOM 2140 O LEU B 36 17.379 -0.146 3.683 1.00 0.00 O ATOM 2141 CB LEU B 36 18.974 1.009 0.911 1.00 0.00 C ATOM 2142 CG LEU B 36 19.177 0.164 -0.323 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.035 -1.307 0.029 1.00 0.00 C ATOM 2144 CD2 LEU B 36 18.187 0.575 -1.395 1.00 0.00 C ATOM 0 H LEU B 36 17.219 2.669 0.459 1.00 0.00 H new ATOM 0 HA LEU B 36 17.069 0.021 1.177 1.00 0.00 H new ATOM 0 HB2 LEU B 36 19.166 2.051 0.656 1.00 0.00 H new ATOM 0 HB3 LEU B 36 19.715 0.722 1.656 1.00 0.00 H new ATOM 0 HG LEU B 36 20.183 0.321 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU B 36 19.183 -1.911 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU B 36 19.782 -1.576 0.776 1.00 0.00 H new ATOM 0 HD13 LEU B 36 18.038 -1.491 0.430 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.338 -0.038 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.171 0.435 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.339 1.624 -1.648 1.00 0.00 H new ATOM 2156 N SER B 37 18.353 1.881 3.575 1.00 0.00 N ATOM 2157 CA SER B 37 18.607 1.971 5.001 1.00 0.00 C ATOM 2158 C SER B 37 17.321 1.736 5.786 1.00 0.00 C ATOM 2159 O SER B 37 17.300 0.971 6.750 1.00 0.00 O ATOM 2160 CB SER B 37 19.201 3.335 5.356 1.00 0.00 C ATOM 2161 OG SER B 37 18.631 4.362 4.564 1.00 0.00 O ATOM 0 H SER B 37 18.669 2.690 3.040 1.00 0.00 H new ATOM 0 HA SER B 37 19.327 1.199 5.270 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.028 3.547 6.411 1.00 0.00 H new ATOM 0 HB3 SER B 37 20.281 3.314 5.208 1.00 0.00 H new ATOM 0 HG SER B 37 17.933 4.821 5.076 1.00 0.00 H new ATOM 2167 N PHE B 38 16.245 2.390 5.353 1.00 0.00 N ATOM 2168 CA PHE B 38 14.949 2.239 6.005 1.00 0.00 C ATOM 2169 C PHE B 38 14.519 0.774 6.001 1.00 0.00 C ATOM 2170 O PHE B 38 13.795 0.324 6.889 1.00 0.00 O ATOM 2171 CB PHE B 38 13.900 3.098 5.292 1.00 0.00 C ATOM 2172 CG PHE B 38 12.505 2.930 5.828 1.00 0.00 C ATOM 2173 CD1 PHE B 38 11.763 1.800 5.524 1.00 0.00 C ATOM 2174 CD2 PHE B 38 11.935 3.904 6.632 1.00 0.00 C ATOM 2175 CE1 PHE B 38 10.480 1.644 6.014 1.00 0.00 C ATOM 2176 CE2 PHE B 38 10.653 3.753 7.124 1.00 0.00 C ATOM 2177 CZ PHE B 38 9.925 2.622 6.815 1.00 0.00 C ATOM 0 H PHE B 38 16.246 3.027 4.556 1.00 0.00 H new ATOM 0 HA PHE B 38 15.037 2.573 7.039 1.00 0.00 H new ATOM 0 HB2 PHE B 38 14.186 4.146 5.375 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.903 2.850 4.231 1.00 0.00 H new ATOM 0 HD1 PHE B 38 12.192 1.032 4.897 1.00 0.00 H new ATOM 0 HD2 PHE B 38 12.500 4.792 6.877 1.00 0.00 H new ATOM 0 HE1 PHE B 38 9.912 0.758 5.771 1.00 0.00 H new ATOM 0 HE2 PHE B 38 10.221 4.520 7.750 1.00 0.00 H new ATOM 0 HZ PHE B 38 8.923 2.502 7.199 1.00 0.00 H new ATOM 2187 N MET B 39 14.975 0.038 4.991 1.00 0.00 N ATOM 2188 CA MET B 39 14.646 -1.377 4.858 1.00 0.00 C ATOM 2189 C MET B 39 15.490 -2.224 5.804 1.00 0.00 C ATOM 2190 O MET B 39 15.019 -3.222 6.345 1.00 0.00 O ATOM 2191 CB MET B 39 14.870 -1.834 3.417 1.00 0.00 C ATOM 2192 CG MET B 39 14.422 -3.261 3.155 1.00 0.00 C ATOM 2193 SD MET B 39 12.998 -3.348 2.054 1.00 0.00 S ATOM 2194 CE MET B 39 11.718 -2.657 3.100 1.00 0.00 C ATOM 0 H MET B 39 15.576 0.400 4.250 1.00 0.00 H new ATOM 0 HA MET B 39 13.596 -1.508 5.120 1.00 0.00 H new ATOM 0 HB2 MET B 39 14.333 -1.164 2.745 1.00 0.00 H new ATOM 0 HB3 MET B 39 15.929 -1.745 3.177 1.00 0.00 H new ATOM 0 HG2 MET B 39 15.248 -3.823 2.720 1.00 0.00 H new ATOM 0 HG3 MET B 39 14.174 -3.740 4.102 1.00 0.00 H new ATOM 0 HE1 MET B 39 10.859 -2.380 2.489 1.00 0.00 H new ATOM 0 HE2 MET B 39 11.413 -3.398 3.840 1.00 0.00 H new ATOM 0 HE3 MET B 39 12.102 -1.773 3.609 1.00 0.00 H new ATOM 2204 N ASN B 40 16.738 -1.820 5.997 1.00 0.00 N ATOM 2205 CA ASN B 40 17.649 -2.541 6.877 1.00 0.00 C ATOM 2206 C ASN B 40 17.288 -2.321 8.345 1.00 0.00 C ATOM 2207 O ASN B 40 17.691 -3.093 9.214 1.00 0.00 O ATOM 2208 CB ASN B 40 19.091 -2.099 6.625 1.00 0.00 C ATOM 2209 CG ASN B 40 19.651 -2.655 5.331 1.00 0.00 C ATOM 2210 OD1 ASN B 40 20.077 -3.809 5.270 1.00 0.00 O ATOM 2211 ND2 ASN B 40 19.651 -1.837 4.286 1.00 0.00 N ATOM 0 H ASN B 40 17.144 -0.995 5.555 1.00 0.00 H new ATOM 0 HA ASN B 40 17.555 -3.604 6.657 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.134 -1.010 6.598 1.00 0.00 H new ATOM 0 HB3 ASN B 40 19.717 -2.422 7.457 1.00 0.00 H new ATOM 0 HD21 ASN B 40 20.014 -2.157 3.388 1.00 0.00 H new ATOM 0 HD22 ASN B 40 19.288 -0.888 4.381 1.00 0.00 H new ATOM 2218 N THR B 41 16.538 -1.257 8.613 1.00 0.00 N ATOM 2219 CA THR B 41 16.137 -0.927 9.975 1.00 0.00 C ATOM 2220 C THR B 41 14.653 -1.201 10.206 1.00 0.00 C ATOM 2221 O THR B 41 14.278 -2.204 10.813 1.00 0.00 O ATOM 2222 CB THR B 41 16.434 0.546 10.262 1.00 0.00 C ATOM 2223 OG1 THR B 41 16.171 1.340 9.118 1.00 0.00 O ATOM 2224 CG2 THR B 41 17.862 0.801 10.677 1.00 0.00 C ATOM 0 H THR B 41 16.196 -0.608 7.904 1.00 0.00 H new ATOM 0 HA THR B 41 16.709 -1.561 10.653 1.00 0.00 H new ATOM 0 HB THR B 41 15.781 0.815 11.092 1.00 0.00 H new ATOM 0 HG1 THR B 41 16.904 1.240 8.475 1.00 0.00 H new ATOM 0 HG21 THR B 41 18.002 1.866 10.865 1.00 0.00 H new ATOM 0 HG22 THR B 41 18.083 0.240 11.585 1.00 0.00 H new ATOM 0 HG23 THR B 41 18.535 0.481 9.881 1.00 0.00 H new ATOM 2232 N GLU B 42 13.819 -0.284 9.730 1.00 0.00 N ATOM 2233 CA GLU B 42 12.371 -0.392 9.889 1.00 0.00 C ATOM 2234 C GLU B 42 11.843 -1.750 9.432 1.00 0.00 C ATOM 2235 O GLU B 42 10.826 -2.229 9.934 1.00 0.00 O ATOM 2236 CB GLU B 42 11.680 0.730 9.113 1.00 0.00 C ATOM 2237 CG GLU B 42 12.151 2.117 9.519 1.00 0.00 C ATOM 2238 CD GLU B 42 11.051 2.944 10.156 1.00 0.00 C ATOM 2239 OE1 GLU B 42 9.917 2.929 9.633 1.00 0.00 O ATOM 2240 OE2 GLU B 42 11.323 3.607 11.180 1.00 0.00 O ATOM 0 H GLU B 42 14.123 0.550 9.227 1.00 0.00 H new ATOM 0 HA GLU B 42 12.146 -0.297 10.951 1.00 0.00 H new ATOM 0 HB2 GLU B 42 11.860 0.590 8.047 1.00 0.00 H new ATOM 0 HB3 GLU B 42 10.603 0.660 9.267 1.00 0.00 H new ATOM 0 HG2 GLU B 42 12.982 2.024 10.218 1.00 0.00 H new ATOM 0 HG3 GLU B 42 12.531 2.639 8.641 1.00 0.00 H new ATOM 2247 N LEU B 43 12.535 -2.368 8.484 1.00 0.00 N ATOM 2248 CA LEU B 43 12.128 -3.670 7.971 1.00 0.00 C ATOM 2249 C LEU B 43 13.329 -4.602 7.869 1.00 0.00 C ATOM 2250 O LEU B 43 13.578 -5.205 6.824 1.00 0.00 O ATOM 2251 CB LEU B 43 11.454 -3.514 6.605 1.00 0.00 C ATOM 2252 CG LEU B 43 10.012 -3.007 6.658 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.463 -2.793 5.257 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.135 -3.978 7.436 1.00 0.00 C ATOM 0 H LEU B 43 13.380 -1.990 8.055 1.00 0.00 H new ATOM 0 HA LEU B 43 11.411 -4.108 8.665 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.045 -2.826 6.000 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.467 -4.478 6.096 1.00 0.00 H new ATOM 0 HG LEU B 43 10.006 -2.047 7.174 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.436 -2.432 5.320 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.075 -2.057 4.735 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.484 -3.736 4.710 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.112 -3.602 7.464 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.150 -4.953 6.948 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.514 -4.075 8.453 1.00 0.00 H new ATOM 2266 N ALA B 44 14.069 -4.712 8.966 1.00 0.00 N ATOM 2267 CA ALA B 44 15.247 -5.566 9.014 1.00 0.00 C ATOM 2268 C ALA B 44 14.852 -7.031 9.147 1.00 0.00 C ATOM 2269 O ALA B 44 15.599 -7.924 8.751 1.00 0.00 O ATOM 2270 CB ALA B 44 16.148 -5.150 10.168 1.00 0.00 C ATOM 0 H ALA B 44 13.872 -4.218 9.836 1.00 0.00 H new ATOM 0 HA ALA B 44 15.795 -5.449 8.079 1.00 0.00 H new ATOM 0 HB1 ALA B 44 17.026 -5.795 10.195 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.462 -4.115 10.030 1.00 0.00 H new ATOM 0 HB3 ALA B 44 15.602 -5.241 11.107 1.00 0.00 H new ATOM 2276 N ALA B 45 13.672 -7.269 9.704 1.00 0.00 N ATOM 2277 CA ALA B 45 13.170 -8.623 9.885 1.00 0.00 C ATOM 2278 C ALA B 45 12.857 -9.280 8.541 1.00 0.00 C ATOM 2279 O ALA B 45 12.676 -10.495 8.461 1.00 0.00 O ATOM 2280 CB ALA B 45 11.934 -8.602 10.771 1.00 0.00 C ATOM 0 H ALA B 45 13.043 -6.539 10.039 1.00 0.00 H new ATOM 0 HA ALA B 45 13.945 -9.216 10.370 1.00 0.00 H new ATOM 0 HB1 ALA B 45 11.563 -9.619 10.902 1.00 0.00 H new ATOM 0 HB2 ALA B 45 12.190 -8.181 11.743 1.00 0.00 H new ATOM 0 HB3 ALA B 45 11.161 -7.992 10.303 1.00 0.00 H new ATOM 2286 N PHE B 46 12.792 -8.468 7.487 1.00 0.00 N ATOM 2287 CA PHE B 46 12.497 -8.970 6.149 1.00 0.00 C ATOM 2288 C PHE B 46 13.774 -9.133 5.326 1.00 0.00 C ATOM 2289 O PHE B 46 13.799 -9.883 4.349 1.00 0.00 O ATOM 2290 CB PHE B 46 11.535 -8.021 5.432 1.00 0.00 C ATOM 2291 CG PHE B 46 10.154 -8.008 6.022 1.00 0.00 C ATOM 2292 CD1 PHE B 46 9.938 -7.524 7.302 1.00 0.00 C ATOM 2293 CD2 PHE B 46 9.071 -8.478 5.295 1.00 0.00 C ATOM 2294 CE1 PHE B 46 8.668 -7.509 7.847 1.00 0.00 C ATOM 2295 CE2 PHE B 46 7.799 -8.466 5.835 1.00 0.00 C ATOM 2296 CZ PHE B 46 7.598 -7.981 7.113 1.00 0.00 C ATOM 0 H PHE B 46 12.940 -7.460 7.535 1.00 0.00 H new ATOM 0 HA PHE B 46 12.030 -9.949 6.252 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.944 -7.011 5.462 1.00 0.00 H new ATOM 0 HB3 PHE B 46 11.470 -8.307 4.382 1.00 0.00 H new ATOM 0 HD1 PHE B 46 10.772 -7.154 7.881 1.00 0.00 H new ATOM 0 HD2 PHE B 46 9.223 -8.858 4.295 1.00 0.00 H new ATOM 0 HE1 PHE B 46 8.513 -7.129 8.846 1.00 0.00 H new ATOM 0 HE2 PHE B 46 6.963 -8.835 5.259 1.00 0.00 H new ATOM 0 HZ PHE B 46 6.605 -7.971 7.537 1.00 0.00 H new ATOM 2306 N THR B 47 14.829 -8.424 5.719 1.00 0.00 N ATOM 2307 CA THR B 47 16.102 -8.491 5.007 1.00 0.00 C ATOM 2308 C THR B 47 17.153 -9.251 5.814 1.00 0.00 C ATOM 2309 O THR B 47 18.136 -9.742 5.260 1.00 0.00 O ATOM 2310 CB THR B 47 16.606 -7.080 4.694 1.00 0.00 C ATOM 2311 OG1 THR B 47 17.197 -6.493 5.840 1.00 0.00 O ATOM 2312 CG2 THR B 47 15.518 -6.146 4.209 1.00 0.00 C ATOM 0 H THR B 47 14.828 -7.798 6.524 1.00 0.00 H new ATOM 0 HA THR B 47 15.935 -9.031 4.075 1.00 0.00 H new ATOM 0 HB THR B 47 17.335 -7.207 3.893 1.00 0.00 H new ATOM 0 HG1 THR B 47 17.514 -5.592 5.619 1.00 0.00 H new ATOM 0 HG21 THR B 47 15.945 -5.164 4.006 1.00 0.00 H new ATOM 0 HG22 THR B 47 15.076 -6.545 3.296 1.00 0.00 H new ATOM 0 HG23 THR B 47 14.748 -6.055 4.975 1.00 0.00 H new ATOM 2428 N VAL B 55 12.347 -11.010 -1.948 1.00 0.00 N ATOM 2429 CA VAL B 55 11.470 -10.015 -1.337 1.00 0.00 C ATOM 2430 C VAL B 55 11.956 -8.597 -1.619 1.00 0.00 C ATOM 2431 O VAL B 55 11.267 -7.810 -2.269 1.00 0.00 O ATOM 2432 CB VAL B 55 11.376 -10.214 0.188 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.325 -9.293 0.787 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.074 -11.668 0.520 1.00 0.00 C ATOM 0 HA VAL B 55 10.484 -10.152 -1.781 1.00 0.00 H new ATOM 0 HB VAL B 55 12.340 -9.957 0.627 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.275 -9.450 1.864 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.591 -8.256 0.583 1.00 0.00 H new ATOM 0 HG13 VAL B 55 9.354 -9.512 0.343 1.00 0.00 H new ATOM 0 HG21 VAL B 55 11.011 -11.789 1.601 1.00 0.00 H new ATOM 0 HG22 VAL B 55 10.125 -11.955 0.067 1.00 0.00 H new ATOM 0 HG23 VAL B 55 11.869 -12.303 0.129 1.00 0.00 H new ATOM 2444 N LEU B 56 13.146 -8.278 -1.123 1.00 0.00 N ATOM 2445 CA LEU B 56 13.729 -6.960 -1.316 1.00 0.00 C ATOM 2446 C LEU B 56 13.942 -6.672 -2.799 1.00 0.00 C ATOM 2447 O LEU B 56 13.532 -5.629 -3.305 1.00 0.00 O ATOM 2448 CB LEU B 56 15.056 -6.886 -0.554 1.00 0.00 C ATOM 2449 CG LEU B 56 16.058 -5.840 -1.042 1.00 0.00 C ATOM 2450 CD1 LEU B 56 15.654 -4.451 -0.574 1.00 0.00 C ATOM 2451 CD2 LEU B 56 17.450 -6.194 -0.548 1.00 0.00 C ATOM 0 H LEU B 56 13.726 -8.919 -0.582 1.00 0.00 H new ATOM 0 HA LEU B 56 13.046 -6.204 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU B 56 14.838 -6.688 0.495 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.533 -7.865 -0.601 1.00 0.00 H new ATOM 0 HG LEU B 56 16.064 -5.836 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.380 -3.721 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU B 56 14.668 -4.206 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU B 56 15.624 -4.429 0.515 1.00 0.00 H new ATOM 0 HD21 LEU B 56 18.161 -5.446 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.454 -6.217 0.542 1.00 0.00 H new ATOM 0 HD23 LEU B 56 17.735 -7.173 -0.933 1.00 0.00 H new ATOM 2463 N ASP B 57 14.589 -7.603 -3.487 1.00 0.00 N ATOM 2464 CA ASP B 57 14.865 -7.454 -4.911 1.00 0.00 C ATOM 2465 C ASP B 57 13.583 -7.211 -5.703 1.00 0.00 C ATOM 2466 O ASP B 57 13.597 -6.532 -6.729 1.00 0.00 O ATOM 2467 CB ASP B 57 15.579 -8.698 -5.439 1.00 0.00 C ATOM 2468 CG ASP B 57 16.485 -8.390 -6.615 1.00 0.00 C ATOM 2469 OD1 ASP B 57 16.022 -7.716 -7.559 1.00 0.00 O ATOM 2470 OD2 ASP B 57 17.655 -8.823 -6.591 1.00 0.00 O ATOM 0 H ASP B 57 14.934 -8.473 -3.081 1.00 0.00 H new ATOM 0 HA ASP B 57 15.510 -6.585 -5.040 1.00 0.00 H new ATOM 0 HB2 ASP B 57 16.168 -9.143 -4.637 1.00 0.00 H new ATOM 0 HB3 ASP B 57 14.838 -9.439 -5.739 1.00 0.00 H new ATOM 2475 N ARG B 58 12.475 -7.768 -5.223 1.00 0.00 N ATOM 2476 CA ARG B 58 11.188 -7.608 -5.891 1.00 0.00 C ATOM 2477 C ARG B 58 10.803 -6.135 -5.993 1.00 0.00 C ATOM 2478 O ARG B 58 10.311 -5.682 -7.026 1.00 0.00 O ATOM 2479 CB ARG B 58 10.100 -8.382 -5.141 1.00 0.00 C ATOM 2480 CG ARG B 58 9.510 -9.535 -5.938 1.00 0.00 C ATOM 2481 CD ARG B 58 10.572 -10.556 -6.310 1.00 0.00 C ATOM 2482 NE ARG B 58 10.077 -11.530 -7.281 1.00 0.00 N ATOM 2483 CZ ARG B 58 9.237 -12.517 -6.979 1.00 0.00 C ATOM 2484 NH1 ARG B 58 8.797 -12.666 -5.736 1.00 0.00 N ATOM 2485 NH2 ARG B 58 8.835 -13.358 -7.922 1.00 0.00 N ATOM 0 H ARG B 58 12.443 -8.334 -4.375 1.00 0.00 H new ATOM 0 HA ARG B 58 11.280 -8.009 -6.900 1.00 0.00 H new ATOM 0 HB2 ARG B 58 10.518 -8.770 -4.212 1.00 0.00 H new ATOM 0 HB3 ARG B 58 9.300 -7.694 -4.868 1.00 0.00 H new ATOM 0 HG2 ARG B 58 8.727 -10.019 -5.354 1.00 0.00 H new ATOM 0 HG3 ARG B 58 9.041 -9.150 -6.843 1.00 0.00 H new ATOM 0 HD2 ARG B 58 11.441 -10.042 -6.722 1.00 0.00 H new ATOM 0 HD3 ARG B 58 10.906 -11.076 -5.412 1.00 0.00 H new ATOM 0 HE ARG B 58 10.394 -11.448 -8.247 1.00 0.00 H new ATOM 0 HH11 ARG B 58 9.103 -12.022 -5.006 1.00 0.00 H new ATOM 0 HH12 ARG B 58 8.153 -13.424 -5.510 1.00 0.00 H new ATOM 0 HH21 ARG B 58 9.170 -13.249 -8.879 1.00 0.00 H new ATOM 0 HH22 ARG B 58 8.191 -14.114 -7.690 1.00 0.00 H new ATOM 2498 N MET B 59 11.020 -5.396 -4.910 1.00 0.00 N ATOM 2499 CA MET B 59 10.687 -3.976 -4.873 1.00 0.00 C ATOM 2500 C MET B 59 11.511 -3.188 -5.881 1.00 0.00 C ATOM 2501 O MET B 59 10.967 -2.451 -6.699 1.00 0.00 O ATOM 2502 CB MET B 59 10.898 -3.430 -3.456 1.00 0.00 C ATOM 2503 CG MET B 59 12.253 -2.768 -3.204 1.00 0.00 C ATOM 2504 SD MET B 59 12.353 -2.004 -1.576 1.00 0.00 S ATOM 2505 CE MET B 59 11.216 -3.043 -0.673 1.00 0.00 C ATOM 0 H MET B 59 11.425 -5.757 -4.046 1.00 0.00 H new ATOM 0 HA MET B 59 9.638 -3.861 -5.146 1.00 0.00 H new ATOM 0 HB2 MET B 59 10.113 -2.704 -3.244 1.00 0.00 H new ATOM 0 HB3 MET B 59 10.775 -4.249 -2.747 1.00 0.00 H new ATOM 0 HG2 MET B 59 13.042 -3.514 -3.301 1.00 0.00 H new ATOM 0 HG3 MET B 59 12.433 -2.012 -3.969 1.00 0.00 H new ATOM 0 HE1 MET B 59 10.856 -2.510 0.207 1.00 0.00 H new ATOM 0 HE2 MET B 59 10.371 -3.300 -1.312 1.00 0.00 H new ATOM 0 HE3 MET B 59 11.725 -3.955 -0.362 1.00 0.00 H new ATOM 2515 N MET B 60 12.824 -3.342 -5.806 1.00 0.00 N ATOM 2516 CA MET B 60 13.725 -2.634 -6.706 1.00 0.00 C ATOM 2517 C MET B 60 13.456 -3.002 -8.162 1.00 0.00 C ATOM 2518 O MET B 60 13.670 -2.192 -9.064 1.00 0.00 O ATOM 2519 CB MET B 60 15.177 -2.934 -6.341 1.00 0.00 C ATOM 2520 CG MET B 60 15.640 -2.207 -5.089 1.00 0.00 C ATOM 2521 SD MET B 60 16.687 -0.786 -5.457 1.00 0.00 S ATOM 2522 CE MET B 60 15.625 0.134 -6.568 1.00 0.00 C ATOM 0 H MET B 60 13.290 -3.950 -5.133 1.00 0.00 H new ATOM 0 HA MET B 60 13.544 -1.565 -6.593 1.00 0.00 H new ATOM 0 HB2 MET B 60 15.294 -4.008 -6.195 1.00 0.00 H new ATOM 0 HB3 MET B 60 15.820 -2.654 -7.175 1.00 0.00 H new ATOM 0 HG2 MET B 60 14.769 -1.875 -4.524 1.00 0.00 H new ATOM 0 HG3 MET B 60 16.188 -2.902 -4.452 1.00 0.00 H new ATOM 0 HE1 MET B 60 16.146 1.027 -6.914 1.00 0.00 H new ATOM 0 HE2 MET B 60 15.366 -0.490 -7.424 1.00 0.00 H new ATOM 0 HE3 MET B 60 14.715 0.426 -6.043 1.00 0.00 H new ATOM 2670 N GLN B 70 12.919 9.953 -9.352 1.00 0.00 N ATOM 2671 CA GLN B 70 12.846 9.839 -7.900 1.00 0.00 C ATOM 2672 C GLN B 70 11.823 8.790 -7.485 1.00 0.00 C ATOM 2673 O GLN B 70 11.091 8.261 -8.319 1.00 0.00 O ATOM 2674 CB GLN B 70 12.489 11.192 -7.279 1.00 0.00 C ATOM 2675 CG GLN B 70 13.699 11.979 -6.804 1.00 0.00 C ATOM 2676 CD GLN B 70 14.284 11.411 -5.529 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.063 10.343 -5.660 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 14.041 11.925 -4.437 1.00 0.00 N flip ATOM 0 HA GLN B 70 13.825 9.526 -7.536 1.00 0.00 H new ATOM 0 HB2 GLN B 70 11.944 11.787 -8.012 1.00 0.00 H new ATOM 0 HB3 GLN B 70 11.817 11.030 -6.436 1.00 0.00 H new ATOM 0 HG2 GLN B 70 14.461 11.977 -7.584 1.00 0.00 H new ATOM 0 HG3 GLN B 70 13.413 13.018 -6.640 1.00 0.00 H new ATOM 0 HE21 GLN B 70 13.437 12.745 -4.382 1.00 0.00 H new ATOM 0 HE22 GLN B 70 14.444 11.531 -3.587 1.00 0.00 H new ATOM 2687 N LEU B 71 11.769 8.501 -6.186 1.00 0.00 N ATOM 2688 CA LEU B 71 10.826 7.529 -5.667 1.00 0.00 C ATOM 2689 C LEU B 71 9.400 8.062 -5.860 1.00 0.00 C ATOM 2690 O LEU B 71 9.095 8.611 -6.919 1.00 0.00 O ATOM 2691 CB LEU B 71 11.150 7.225 -4.195 1.00 0.00 C ATOM 2692 CG LEU B 71 11.878 5.899 -3.932 1.00 0.00 C ATOM 2693 CD1 LEU B 71 10.875 4.773 -3.737 1.00 0.00 C ATOM 2694 CD2 LEU B 71 12.843 5.565 -5.059 1.00 0.00 C ATOM 0 H LEU B 71 12.368 8.928 -5.480 1.00 0.00 H new ATOM 0 HA LEU B 71 10.904 6.588 -6.211 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.761 8.038 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.218 7.225 -3.630 1.00 0.00 H new ATOM 0 HG LEU B 71 12.460 6.012 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.407 3.840 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.234 5.000 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.264 4.670 -4.634 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.342 4.621 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU B 71 12.292 5.478 -5.996 1.00 0.00 H new ATOM 0 HD23 LEU B 71 13.587 6.357 -5.148 1.00 0.00 H new ATOM 2706 N ASP B 72 8.527 7.926 -4.860 1.00 0.00 N ATOM 2707 CA ASP B 72 7.157 8.426 -4.987 1.00 0.00 C ATOM 2708 C ASP B 72 6.289 7.991 -3.811 1.00 0.00 C ATOM 2709 O ASP B 72 6.795 7.553 -2.777 1.00 0.00 O ATOM 2710 CB ASP B 72 6.525 7.946 -6.299 1.00 0.00 C ATOM 2711 CG ASP B 72 5.966 9.089 -7.125 1.00 0.00 C ATOM 2712 OD1 ASP B 72 6.486 10.218 -7.005 1.00 0.00 O ATOM 2713 OD2 ASP B 72 5.008 8.854 -7.891 1.00 0.00 O ATOM 0 H ASP B 72 8.739 7.481 -3.967 1.00 0.00 H new ATOM 0 HA ASP B 72 7.210 9.515 -4.990 1.00 0.00 H new ATOM 0 HB2 ASP B 72 7.272 7.410 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP B 72 5.727 7.238 -6.077 1.00 0.00 H new ATOM 2718 N PHE B 73 4.976 8.123 -3.982 1.00 0.00 N ATOM 2719 CA PHE B 73 4.023 7.754 -2.945 1.00 0.00 C ATOM 2720 C PHE B 73 3.750 6.253 -2.949 1.00 0.00 C ATOM 2721 O PHE B 73 3.951 5.581 -1.937 1.00 0.00 O ATOM 2722 CB PHE B 73 2.716 8.526 -3.121 1.00 0.00 C ATOM 2723 CG PHE B 73 2.033 8.280 -4.438 1.00 0.00 C ATOM 2724 CD1 PHE B 73 2.413 8.978 -5.574 1.00 0.00 C ATOM 2725 CD2 PHE B 73 1.009 7.351 -4.539 1.00 0.00 C ATOM 2726 CE1 PHE B 73 1.786 8.753 -6.785 1.00 0.00 C ATOM 2727 CE2 PHE B 73 0.378 7.123 -5.748 1.00 0.00 C ATOM 2728 CZ PHE B 73 0.767 7.825 -6.871 1.00 0.00 C ATOM 0 H PHE B 73 4.549 8.485 -4.834 1.00 0.00 H new ATOM 0 HA PHE B 73 4.463 8.015 -1.983 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.035 8.256 -2.314 1.00 0.00 H new ATOM 0 HB3 PHE B 73 2.920 9.592 -3.023 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.208 9.706 -5.512 1.00 0.00 H new ATOM 0 HD2 PHE B 73 0.701 6.799 -3.663 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.093 9.302 -7.663 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -0.418 6.396 -5.814 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.275 7.649 -7.816 1.00 0.00 H new ATOM 2738 N GLN B 74 3.298 5.721 -4.083 1.00 0.00 N ATOM 2739 CA GLN B 74 3.018 4.297 -4.176 1.00 0.00 C ATOM 2740 C GLN B 74 4.301 3.521 -4.400 1.00 0.00 C ATOM 2741 O GLN B 74 4.401 2.361 -4.012 1.00 0.00 O ATOM 2742 CB GLN B 74 2.020 3.980 -5.292 1.00 0.00 C ATOM 2743 CG GLN B 74 1.731 2.486 -5.439 1.00 0.00 C ATOM 2744 CD GLN B 74 1.420 1.807 -4.112 1.00 0.00 C ATOM 2745 OE1 GLN B 74 1.910 0.577 -3.930 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 0.743 2.380 -3.258 1.00 0.00 N flip ATOM 0 H GLN B 74 3.121 6.249 -4.937 1.00 0.00 H new ATOM 0 HA GLN B 74 2.568 3.994 -3.230 1.00 0.00 H new ATOM 0 HB2 GLN B 74 1.086 4.506 -5.095 1.00 0.00 H new ATOM 0 HB3 GLN B 74 2.408 4.363 -6.236 1.00 0.00 H new ATOM 0 HG2 GLN B 74 0.888 2.349 -6.117 1.00 0.00 H new ATOM 0 HG3 GLN B 74 2.591 1.998 -5.898 1.00 0.00 H new ATOM 0 HE21 GLN B 74 0.387 3.319 -3.435 1.00 0.00 H new ATOM 0 HE22 GLN B 74 0.538 1.915 -2.373 1.00 0.00 H new ATOM 2755 N GLU B 75 5.291 4.162 -5.024 1.00 0.00 N ATOM 2756 CA GLU B 75 6.564 3.508 -5.280 1.00 0.00 C ATOM 2757 C GLU B 75 7.018 2.764 -4.035 1.00 0.00 C ATOM 2758 O GLU B 75 7.571 1.668 -4.121 1.00 0.00 O ATOM 2759 CB GLU B 75 7.624 4.523 -5.712 1.00 0.00 C ATOM 2760 CG GLU B 75 8.165 4.257 -7.104 1.00 0.00 C ATOM 2761 CD GLU B 75 8.405 5.527 -7.895 1.00 0.00 C ATOM 2762 OE1 GLU B 75 7.462 5.993 -8.569 1.00 0.00 O ATOM 2763 OE2 GLU B 75 9.536 6.054 -7.845 1.00 0.00 O ATOM 0 H GLU B 75 5.232 5.124 -5.357 1.00 0.00 H new ATOM 0 HA GLU B 75 6.431 2.796 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.195 5.524 -5.680 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.448 4.506 -4.998 1.00 0.00 H new ATOM 0 HG2 GLU B 75 9.100 3.702 -7.025 1.00 0.00 H new ATOM 0 HG3 GLU B 75 7.463 3.624 -7.647 1.00 0.00 H new ATOM 2770 N PHE B 76 6.745 3.351 -2.872 1.00 0.00 N ATOM 2771 CA PHE B 76 7.097 2.712 -1.620 1.00 0.00 C ATOM 2772 C PHE B 76 6.063 1.661 -1.263 1.00 0.00 C ATOM 2773 O PHE B 76 6.397 0.504 -1.040 1.00 0.00 O ATOM 2774 CB PHE B 76 7.224 3.713 -0.477 1.00 0.00 C ATOM 2775 CG PHE B 76 8.076 3.188 0.649 1.00 0.00 C ATOM 2776 CD1 PHE B 76 9.188 2.393 0.388 1.00 0.00 C ATOM 2777 CD2 PHE B 76 7.764 3.472 1.962 1.00 0.00 C ATOM 2778 CE1 PHE B 76 9.963 1.899 1.417 1.00 0.00 C ATOM 2779 CE2 PHE B 76 8.536 2.979 2.997 1.00 0.00 C ATOM 2780 CZ PHE B 76 9.636 2.191 2.725 1.00 0.00 C ATOM 0 H PHE B 76 6.287 4.257 -2.777 1.00 0.00 H new ATOM 0 HA PHE B 76 8.071 2.243 -1.760 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.655 4.640 -0.855 1.00 0.00 H new ATOM 0 HB3 PHE B 76 6.232 3.955 -0.097 1.00 0.00 H new ATOM 0 HD1 PHE B 76 9.448 2.160 -0.634 1.00 0.00 H new ATOM 0 HD2 PHE B 76 6.905 4.088 2.184 1.00 0.00 H new ATOM 0 HE1 PHE B 76 10.824 1.285 1.199 1.00 0.00 H new ATOM 0 HE2 PHE B 76 8.278 3.211 4.020 1.00 0.00 H new ATOM 0 HZ PHE B 76 10.239 1.804 3.533 1.00 0.00 H new ATOM 2790 N LEU B 77 4.796 2.068 -1.223 1.00 0.00 N ATOM 2791 CA LEU B 77 3.720 1.143 -0.908 1.00 0.00 C ATOM 2792 C LEU B 77 3.844 -0.100 -1.781 1.00 0.00 C ATOM 2793 O LEU B 77 3.571 -1.213 -1.341 1.00 0.00 O ATOM 2794 CB LEU B 77 2.365 1.819 -1.099 1.00 0.00 C ATOM 2795 CG LEU B 77 1.787 2.433 0.174 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.731 3.476 -0.153 1.00 0.00 C ATOM 2797 CD2 LEU B 77 1.219 1.341 1.060 1.00 0.00 C ATOM 0 H LEU B 77 4.495 3.026 -1.404 1.00 0.00 H new ATOM 0 HA LEU B 77 3.796 0.842 0.137 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.464 2.600 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.658 1.087 -1.489 1.00 0.00 H new ATOM 0 HG LEU B 77 2.588 2.939 0.713 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.336 3.897 0.772 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.177 4.270 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.079 3.010 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.808 1.785 1.967 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.430 0.812 0.525 1.00 0.00 H new ATOM 0 HD23 LEU B 77 2.010 0.640 1.326 1.00 0.00 H new ATOM 2809 N ASN B 78 4.304 0.105 -3.009 1.00 0.00 N ATOM 2810 CA ASN B 78 4.527 -0.987 -3.940 1.00 0.00 C ATOM 2811 C ASN B 78 5.818 -1.695 -3.548 1.00 0.00 C ATOM 2812 O ASN B 78 5.917 -2.920 -3.602 1.00 0.00 O ATOM 2813 CB ASN B 78 4.592 -0.459 -5.385 1.00 0.00 C ATOM 2814 CG ASN B 78 5.716 -1.065 -6.205 1.00 0.00 C ATOM 2815 OD1 ASN B 78 5.901 -2.283 -6.226 1.00 0.00 O ATOM 2816 ND2 ASN B 78 6.471 -0.214 -6.886 1.00 0.00 N ATOM 0 H ASN B 78 4.531 1.027 -3.383 1.00 0.00 H new ATOM 0 HA ASN B 78 3.700 -1.695 -3.895 1.00 0.00 H new ATOM 0 HB2 ASN B 78 3.642 -0.662 -5.880 1.00 0.00 H new ATOM 0 HB3 ASN B 78 4.714 0.624 -5.362 1.00 0.00 H new ATOM 0 HD21 ASN B 78 7.242 -0.560 -7.457 1.00 0.00 H new ATOM 0 HD22 ASN B 78 6.281 0.787 -6.839 1.00 0.00 H new ATOM 2823 N LEU B 79 6.798 -0.895 -3.134 1.00 0.00 N ATOM 2824 CA LEU B 79 8.085 -1.416 -2.704 1.00 0.00 C ATOM 2825 C LEU B 79 7.901 -2.279 -1.459 1.00 0.00 C ATOM 2826 O LEU B 79 8.229 -3.463 -1.463 1.00 0.00 O ATOM 2827 CB LEU B 79 9.043 -0.257 -2.403 1.00 0.00 C ATOM 2828 CG LEU B 79 10.175 -0.041 -3.414 1.00 0.00 C ATOM 2829 CD1 LEU B 79 9.637 0.058 -4.828 1.00 0.00 C ATOM 2830 CD2 LEU B 79 10.969 1.207 -3.067 1.00 0.00 C ATOM 0 H LEU B 79 6.720 0.121 -3.089 1.00 0.00 H new ATOM 0 HA LEU B 79 8.509 -2.027 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.461 0.662 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.486 -0.424 -1.421 1.00 0.00 H new ATOM 0 HG LEU B 79 10.837 -0.906 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU B 79 10.464 0.211 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU B 79 9.114 -0.864 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU B 79 8.946 0.898 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.768 1.344 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU B 79 10.309 2.075 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU B 79 11.400 1.099 -2.072 1.00 0.00 H new ATOM 2842 N ILE B 80 7.345 -1.680 -0.403 1.00 0.00 N ATOM 2843 CA ILE B 80 7.095 -2.403 0.835 1.00 0.00 C ATOM 2844 C ILE B 80 5.931 -3.365 0.654 1.00 0.00 C ATOM 2845 O ILE B 80 5.990 -4.514 1.091 1.00 0.00 O ATOM 2846 CB ILE B 80 6.823 -1.467 2.031 1.00 0.00 C ATOM 2847 CG1 ILE B 80 6.962 -2.244 3.337 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.443 -0.851 1.942 1.00 0.00 C ATOM 2849 CD1 ILE B 80 5.726 -3.042 3.703 1.00 0.00 C ATOM 0 H ILE B 80 7.062 -0.700 -0.385 1.00 0.00 H new ATOM 0 HA ILE B 80 8.004 -2.959 1.065 1.00 0.00 H new ATOM 0 HB ILE B 80 7.556 -0.661 2.006 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.812 -2.922 3.258 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.185 -1.546 4.144 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.281 -0.197 2.798 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.362 -0.272 1.022 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.691 -1.641 1.941 1.00 0.00 H new ATOM 0 HD11 ILE B 80 5.897 -3.568 4.642 1.00 0.00 H new ATOM 0 HD12 ILE B 80 4.877 -2.367 3.815 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.513 -3.765 2.916 1.00 0.00 H new ATOM 2861 N GLY B 81 4.881 -2.899 -0.023 1.00 0.00 N ATOM 2862 CA GLY B 81 3.738 -3.756 -0.276 1.00 0.00 C ATOM 2863 C GLY B 81 4.191 -5.044 -0.913 1.00 0.00 C ATOM 2864 O GLY B 81 3.856 -6.132 -0.449 1.00 0.00 O ATOM 0 H GLY B 81 4.804 -1.953 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.217 -3.966 0.658 1.00 0.00 H new ATOM 0 HA3 GLY B 81 3.029 -3.247 -0.929 1.00 0.00 H new ATOM 2868 N GLY B 82 4.996 -4.914 -1.965 1.00 0.00 N ATOM 2869 CA GLY B 82 5.531 -6.089 -2.631 1.00 0.00 C ATOM 2870 C GLY B 82 6.184 -7.040 -1.641 1.00 0.00 C ATOM 2871 O GLY B 82 6.019 -8.255 -1.741 1.00 0.00 O ATOM 0 H GLY B 82 5.286 -4.022 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY B 82 4.730 -6.606 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.262 -5.783 -3.380 1.00 0.00 H new ATOM 2875 N LEU B 83 6.912 -6.490 -0.666 1.00 0.00 N ATOM 2876 CA LEU B 83 7.553 -7.321 0.350 1.00 0.00 C ATOM 2877 C LEU B 83 6.508 -8.119 1.117 1.00 0.00 C ATOM 2878 O LEU B 83 6.673 -9.318 1.341 1.00 0.00 O ATOM 2879 CB LEU B 83 8.358 -6.472 1.330 1.00 0.00 C ATOM 2880 CG LEU B 83 9.088 -5.287 0.713 1.00 0.00 C ATOM 2881 CD1 LEU B 83 9.960 -4.607 1.754 1.00 0.00 C ATOM 2882 CD2 LEU B 83 9.922 -5.733 -0.478 1.00 0.00 C ATOM 0 H LEU B 83 7.070 -5.488 -0.561 1.00 0.00 H new ATOM 0 HA LEU B 83 8.232 -8.003 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.685 -6.101 2.103 1.00 0.00 H new ATOM 0 HB3 LEU B 83 9.089 -7.111 1.824 1.00 0.00 H new ATOM 0 HG LEU B 83 8.348 -4.569 0.359 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.476 -3.761 1.300 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.337 -4.253 2.575 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.693 -5.318 2.135 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.436 -4.872 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.657 -6.469 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU B 83 9.272 -6.178 -1.231 1.00 0.00 H new ATOM 2894 N ALA B 84 5.426 -7.451 1.518 1.00 0.00 N ATOM 2895 CA ALA B 84 4.358 -8.118 2.257 1.00 0.00 C ATOM 2896 C ALA B 84 3.837 -9.320 1.489 1.00 0.00 C ATOM 2897 O ALA B 84 3.386 -10.305 2.073 1.00 0.00 O ATOM 2898 CB ALA B 84 3.209 -7.164 2.513 1.00 0.00 C ATOM 0 H ALA B 84 5.268 -6.458 1.345 1.00 0.00 H new ATOM 0 HA ALA B 84 4.775 -8.451 3.208 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.423 -7.680 3.065 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.564 -6.315 3.097 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.811 -6.810 1.562 1.00 0.00 H new ATOM 2904 N VAL B 85 3.898 -9.221 0.172 1.00 0.00 N ATOM 2905 CA VAL B 85 3.429 -10.289 -0.696 1.00 0.00 C ATOM 2906 C VAL B 85 4.507 -11.337 -0.910 1.00 0.00 C ATOM 2907 O VAL B 85 4.229 -12.457 -1.336 1.00 0.00 O ATOM 2908 CB VAL B 85 2.926 -9.770 -2.069 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.480 -10.168 -2.257 1.00 0.00 C ATOM 2910 CG2 VAL B 85 3.060 -8.258 -2.207 1.00 0.00 C ATOM 0 H VAL B 85 4.269 -8.409 -0.322 1.00 0.00 H new ATOM 0 HA VAL B 85 2.581 -10.743 -0.183 1.00 0.00 H new ATOM 0 HB VAL B 85 3.551 -10.223 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL B 85 1.125 -9.804 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.394 -11.254 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.876 -9.733 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL B 85 2.694 -7.948 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.475 -7.768 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL B 85 4.108 -7.975 -2.105 1.00 0.00 H new ATOM 2920 N ALA B 86 5.738 -10.965 -0.609 1.00 0.00 N ATOM 2921 CA ALA B 86 6.864 -11.863 -0.763 1.00 0.00 C ATOM 2922 C ALA B 86 7.484 -12.207 0.588 1.00 0.00 C ATOM 2923 O ALA B 86 8.582 -12.758 0.655 1.00 0.00 O ATOM 2924 CB ALA B 86 7.883 -11.213 -1.667 1.00 0.00 C ATOM 0 H ALA B 86 5.982 -10.040 -0.254 1.00 0.00 H new ATOM 0 HA ALA B 86 6.520 -12.797 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.737 -11.879 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.433 -11.015 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA B 86 8.217 -10.275 -1.224 1.00 0.00 H new ATOM 2930 N CYS B 87 6.774 -11.875 1.663 1.00 0.00 N ATOM 2931 CA CYS B 87 7.260 -12.145 3.009 1.00 0.00 C ATOM 2932 C CYS B 87 6.106 -12.332 3.993 1.00 0.00 C ATOM 2933 O CYS B 87 6.187 -13.161 4.898 1.00 0.00 O ATOM 2934 CB CYS B 87 8.167 -11.007 3.482 1.00 0.00 C ATOM 2935 SG CYS B 87 9.576 -11.551 4.477 1.00 0.00 S ATOM 0 H CYS B 87 5.862 -11.419 1.626 1.00 0.00 H new ATOM 0 HA CYS B 87 7.831 -13.073 2.976 1.00 0.00 H new ATOM 0 HB2 CYS B 87 8.538 -10.466 2.611 1.00 0.00 H new ATOM 0 HB3 CYS B 87 7.574 -10.303 4.066 1.00 0.00 H new ATOM 0 HG CYS B 87 9.983 -10.570 5.227 1.00 0.00 H new ATOM 2941 N HIS B 88 5.036 -11.557 3.820 1.00 0.00 N ATOM 2942 CA HIS B 88 3.884 -11.657 4.713 1.00 0.00 C ATOM 2943 C HIS B 88 2.880 -12.690 4.211 1.00 0.00 C ATOM 2944 O HIS B 88 3.160 -13.439 3.277 1.00 0.00 O ATOM 2945 CB HIS B 88 3.205 -10.295 4.872 1.00 0.00 C ATOM 2946 CG HIS B 88 3.348 -9.715 6.246 1.00 0.00 C ATOM 2947 ND1 HIS B 88 4.299 -8.772 6.571 1.00 0.00 N ATOM 2948 CD2 HIS B 88 2.651 -9.949 7.384 1.00 0.00 C ATOM 2949 CE1 HIS B 88 4.182 -8.451 7.848 1.00 0.00 C ATOM 2950 NE2 HIS B 88 3.189 -9.151 8.363 1.00 0.00 N ATOM 0 H HIS B 88 4.943 -10.862 3.080 1.00 0.00 H new ATOM 0 HA HIS B 88 4.249 -11.985 5.687 1.00 0.00 H new ATOM 0 HB2 HIS B 88 3.628 -9.600 4.147 1.00 0.00 H new ATOM 0 HB3 HIS B 88 2.145 -10.396 4.637 1.00 0.00 H new ATOM 0 HD1 HIS B 88 4.987 -8.382 5.926 1.00 0.00 H new ATOM 0 HD2 HIS B 88 1.826 -10.636 7.500 1.00 0.00 H new ATOM 0 HE1 HIS B 88 4.795 -7.738 8.379 1.00 0.00 H new ATOM 2959 N GLU B 89 1.713 -12.728 4.848 1.00 0.00 N ATOM 2960 CA GLU B 89 0.668 -13.676 4.477 1.00 0.00 C ATOM 2961 C GLU B 89 -0.213 -13.126 3.357 1.00 0.00 C ATOM 2962 O GLU B 89 -1.435 -13.062 3.489 1.00 0.00 O ATOM 2963 CB GLU B 89 -0.190 -14.019 5.696 1.00 0.00 C ATOM 2964 CG GLU B 89 -0.869 -12.811 6.321 1.00 0.00 C ATOM 2965 CD GLU B 89 -0.189 -12.355 7.597 1.00 0.00 C ATOM 2966 OE1 GLU B 89 0.988 -12.718 7.805 1.00 0.00 O ATOM 2967 OE2 GLU B 89 -0.833 -11.634 8.388 1.00 0.00 O ATOM 0 H GLU B 89 1.468 -12.113 5.624 1.00 0.00 H new ATOM 0 HA GLU B 89 1.153 -14.581 4.111 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -0.951 -14.742 5.402 1.00 0.00 H new ATOM 0 HB3 GLU B 89 0.436 -14.502 6.446 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -0.875 -11.990 5.604 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -1.910 -13.054 6.535 1.00 0.00 H new ATOM 2974 N SER B 90 0.414 -12.740 2.250 1.00 0.00 N ATOM 2975 CA SER B 90 -0.318 -12.210 1.105 1.00 0.00 C ATOM 2976 C SER B 90 -0.126 -13.109 -0.111 1.00 0.00 C ATOM 2977 O SER B 90 -1.089 -13.475 -0.786 1.00 0.00 O ATOM 2978 CB SER B 90 0.142 -10.786 0.786 1.00 0.00 C ATOM 2979 OG SER B 90 -0.712 -9.828 1.384 1.00 0.00 O ATOM 0 H SER B 90 1.425 -12.784 2.122 1.00 0.00 H new ATOM 0 HA SER B 90 -1.378 -12.184 1.358 1.00 0.00 H new ATOM 0 HB2 SER B 90 1.162 -10.642 1.143 1.00 0.00 H new ATOM 0 HB3 SER B 90 0.158 -10.639 -0.294 1.00 0.00 H new ATOM 0 HG SER B 90 -0.495 -8.936 1.040 1.00 0.00 H new ATOM 2985 N PHE B 91 1.125 -13.473 -0.377 1.00 0.00 N ATOM 2986 CA PHE B 91 1.448 -14.343 -1.501 1.00 0.00 C ATOM 2987 C PHE B 91 2.445 -15.416 -1.074 1.00 0.00 C ATOM 2988 O PHE B 91 2.057 -16.545 -0.777 1.00 0.00 O ATOM 2989 CB PHE B 91 2.011 -13.531 -2.671 1.00 0.00 C ATOM 2990 CG PHE B 91 1.057 -13.403 -3.824 1.00 0.00 C ATOM 2991 CD1 PHE B 91 -0.133 -12.708 -3.681 1.00 0.00 C ATOM 2992 CD2 PHE B 91 1.349 -13.979 -5.050 1.00 0.00 C ATOM 2993 CE1 PHE B 91 -1.014 -12.591 -4.741 1.00 0.00 C ATOM 2994 CE2 PHE B 91 0.473 -13.863 -6.112 1.00 0.00 C ATOM 2995 CZ PHE B 91 -0.710 -13.168 -5.957 1.00 0.00 C ATOM 0 H PHE B 91 1.932 -13.178 0.172 1.00 0.00 H new ATOM 0 HA PHE B 91 0.530 -14.830 -1.831 1.00 0.00 H new ATOM 0 HB2 PHE B 91 2.277 -12.535 -2.317 1.00 0.00 H new ATOM 0 HB3 PHE B 91 2.930 -14.001 -3.020 1.00 0.00 H new ATOM 0 HD1 PHE B 91 -0.375 -12.253 -2.732 1.00 0.00 H new ATOM 0 HD2 PHE B 91 2.272 -14.525 -5.177 1.00 0.00 H new ATOM 0 HE1 PHE B 91 -1.939 -12.048 -4.617 1.00 0.00 H new ATOM 0 HE2 PHE B 91 0.713 -14.316 -7.063 1.00 0.00 H new ATOM 0 HZ PHE B 91 -1.396 -13.076 -6.786 1.00 0.00 H new ATOM 3005 N VAL B 92 3.730 -15.051 -1.040 1.00 0.00 N ATOM 3006 CA VAL B 92 4.797 -15.970 -0.641 1.00 0.00 C ATOM 3007 C VAL B 92 4.660 -17.351 -1.289 1.00 0.00 C ATOM 3008 O VAL B 92 5.239 -18.325 -0.811 1.00 0.00 O ATOM 3009 CB VAL B 92 4.832 -16.126 0.889 1.00 0.00 C ATOM 3010 CG1 VAL B 92 4.852 -14.762 1.561 1.00 0.00 C ATOM 3011 CG2 VAL B 92 3.646 -16.949 1.371 1.00 0.00 C ATOM 0 H VAL B 92 4.057 -14.117 -1.287 1.00 0.00 H new ATOM 0 HA VAL B 92 5.730 -15.530 -0.992 1.00 0.00 H new ATOM 0 HB VAL B 92 5.745 -16.655 1.162 1.00 0.00 H new ATOM 0 HG11 VAL B 92 4.877 -14.890 2.643 1.00 0.00 H new ATOM 0 HG12 VAL B 92 5.736 -14.211 1.240 1.00 0.00 H new ATOM 0 HG13 VAL B 92 3.957 -14.206 1.282 1.00 0.00 H new ATOM 0 HG21 VAL B 92 3.689 -17.048 2.456 1.00 0.00 H new ATOM 0 HG22 VAL B 92 2.719 -16.451 1.088 1.00 0.00 H new ATOM 0 HG23 VAL B 92 3.680 -17.938 0.915 1.00 0.00 H new