USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 9 MET CE :methyl -125:sc= -1.21 (180deg=-2.7!) USER MOD Set 1.3: A 85 HIS : no HE2:sc= -2.7! C(o=-3.9!,f=-11!) USER MOD Set 2.1: A 53 ASN : amide:sc= -0.566 K(o=-1.2,f=-3) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.59 K(o=-1.2,f=-1.8) USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0.698 USER MOD Set 3.2: A 31 SER OG : rot -72:sc= 0.476 USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0412 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 1.17 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 52:sc= 0.00432 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 52:sc= 1.01 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -6.48! C(o=-6.5!,f=-7.4!) USER MOD Single : A 32 GLN : amide:sc=-0.00489 X(o=-0.0049,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.98 K(o=-2,f=-11!) USER MOD Single : A 40 GLN : amide:sc= -3.42! C(o=-3.4!,f=-4.4!) USER MOD Single : A 42 GLN : amide:sc= -2.27! C(o=-2.3!,f=-3.6!) USER MOD Single : A 46 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-8.1!) USER MOD Single : A 47 ASN : amide:sc= -4.03! X(o=-4!,f=-3.7) USER MOD Single : A 48 GLN : amide:sc= -4.55! C(o=-4.5!,f=-10!) USER MOD Single : A 49 THR OG1 : rot 81:sc= 0.5 USER MOD Single : A 51 SER OG : rot 169:sc= 0.277 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 174:sc= -1.07 (180deg=-1.37) USER MOD Single : A 75 ASN : amide:sc=-0.00934 X(o=-0.0093,f=-0.025) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -160:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.225 K(o=-0.22,f=-1.4!) USER MOD Single : A 87 SER OG : rot 110:sc= -1.73! USER MOD Single : A 88 MET CE :methyl -148:sc= -0.952 (180deg=-1.39) USER MOD Single : A 90 TYR OH : rot -176:sc= -0.808 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0402 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.176 8.200 3.854 1.00 0.00 N ATOM 2 CA GLY A 1 7.058 9.637 4.035 1.00 0.00 C ATOM 3 C GLY A 1 6.790 9.985 5.501 1.00 0.00 C ATOM 4 O GLY A 1 7.230 9.273 6.402 1.00 0.00 O ATOM 0 H1 GLY A 1 7.931 7.997 3.168 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.407 7.753 4.764 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.275 7.820 3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.974 10.125 3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.249 10.020 3.413 1.00 0.00 H new ATOM 8 N SER A 2 6.068 11.079 5.693 1.00 0.00 N ATOM 9 CA SER A 2 5.735 11.530 7.034 1.00 0.00 C ATOM 10 C SER A 2 4.237 11.828 7.129 1.00 0.00 C ATOM 11 O SER A 2 3.773 12.856 6.638 1.00 0.00 O ATOM 12 CB SER A 2 6.548 12.768 7.416 1.00 0.00 C ATOM 13 OG SER A 2 6.089 13.937 6.743 1.00 0.00 O ATOM 0 H SER A 2 5.704 11.666 4.943 1.00 0.00 H new ATOM 0 HA SER A 2 5.985 10.734 7.735 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.488 12.923 8.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.598 12.600 7.176 1.00 0.00 H new ATOM 0 HG SER A 2 5.111 13.921 6.689 1.00 0.00 H new ATOM 19 N SER A 3 3.523 10.911 7.764 1.00 0.00 N ATOM 20 CA SER A 3 2.087 11.063 7.930 1.00 0.00 C ATOM 21 C SER A 3 1.719 10.967 9.412 1.00 0.00 C ATOM 22 O SER A 3 2.314 10.187 10.154 1.00 0.00 O ATOM 23 CB SER A 3 1.325 10.010 7.124 1.00 0.00 C ATOM 24 OG SER A 3 -0.018 10.408 6.861 1.00 0.00 O ATOM 0 H SER A 3 3.912 10.060 8.170 1.00 0.00 H new ATOM 0 HA SER A 3 1.801 12.045 7.554 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.842 9.831 6.181 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.323 9.067 7.670 1.00 0.00 H new ATOM 0 HG SER A 3 -0.471 9.710 6.343 1.00 0.00 H new ATOM 30 N GLY A 4 0.738 11.770 9.798 1.00 0.00 N ATOM 31 CA GLY A 4 0.283 11.785 11.178 1.00 0.00 C ATOM 32 C GLY A 4 -1.118 11.181 11.300 1.00 0.00 C ATOM 33 O GLY A 4 -1.857 11.117 10.319 1.00 0.00 O ATOM 0 H GLY A 4 0.246 12.415 9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.980 11.224 11.801 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.275 12.809 11.551 1.00 0.00 H new ATOM 37 N SER A 5 -1.440 10.753 12.512 1.00 0.00 N ATOM 38 CA SER A 5 -2.739 10.157 12.774 1.00 0.00 C ATOM 39 C SER A 5 -3.718 11.229 13.258 1.00 0.00 C ATOM 40 O SER A 5 -3.367 12.067 14.087 1.00 0.00 O ATOM 41 CB SER A 5 -2.630 9.033 13.806 1.00 0.00 C ATOM 42 OG SER A 5 -1.732 8.009 13.388 1.00 0.00 O ATOM 0 H SER A 5 -0.824 10.807 13.323 1.00 0.00 H new ATOM 0 HA SER A 5 -3.112 9.726 11.845 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.292 9.445 14.757 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.616 8.602 13.978 1.00 0.00 H new ATOM 0 HG SER A 5 -1.689 7.311 14.075 1.00 0.00 H new ATOM 48 N SER A 6 -4.927 11.166 12.719 1.00 0.00 N ATOM 49 CA SER A 6 -5.960 12.121 13.085 1.00 0.00 C ATOM 50 C SER A 6 -7.329 11.607 12.637 1.00 0.00 C ATOM 51 O SER A 6 -8.232 11.441 13.455 1.00 0.00 O ATOM 52 CB SER A 6 -5.682 13.495 12.472 1.00 0.00 C ATOM 53 OG SER A 6 -5.310 14.454 13.458 1.00 0.00 O ATOM 0 H SER A 6 -5.214 10.469 12.032 1.00 0.00 H new ATOM 0 HA SER A 6 -5.957 12.230 14.170 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.886 13.408 11.733 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.570 13.843 11.945 1.00 0.00 H new ATOM 0 HG SER A 6 -4.578 14.096 14.003 1.00 0.00 H new ATOM 59 N GLY A 7 -7.441 11.369 11.338 1.00 0.00 N ATOM 60 CA GLY A 7 -8.685 10.878 10.771 1.00 0.00 C ATOM 61 C GLY A 7 -8.758 9.352 10.849 1.00 0.00 C ATOM 62 O GLY A 7 -8.724 8.779 11.937 1.00 0.00 O ATOM 0 H GLY A 7 -6.690 11.507 10.662 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.529 11.314 11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.766 11.197 9.732 1.00 0.00 H new ATOM 66 N THR A 8 -8.857 8.736 9.680 1.00 0.00 N ATOM 67 CA THR A 8 -8.935 7.287 9.601 1.00 0.00 C ATOM 68 C THR A 8 -7.658 6.717 8.979 1.00 0.00 C ATOM 69 O THR A 8 -7.487 6.754 7.762 1.00 0.00 O ATOM 70 CB THR A 8 -10.203 6.923 8.827 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.230 7.672 9.470 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.618 5.465 9.036 1.00 0.00 C ATOM 0 H THR A 8 -8.885 9.214 8.779 1.00 0.00 H new ATOM 0 HA THR A 8 -9.003 6.840 10.593 1.00 0.00 H new ATOM 0 HB THR A 8 -10.045 7.107 7.764 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.088 7.496 9.030 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.523 5.259 8.465 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.818 4.807 8.698 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.809 5.289 10.095 1.00 0.00 H new ATOM 80 N MET A 9 -6.795 6.204 9.844 1.00 0.00 N ATOM 81 CA MET A 9 -5.539 5.627 9.394 1.00 0.00 C ATOM 82 C MET A 9 -5.585 4.099 9.455 1.00 0.00 C ATOM 83 O MET A 9 -6.001 3.526 10.462 1.00 0.00 O ATOM 84 CB MET A 9 -4.398 6.139 10.275 1.00 0.00 C ATOM 85 CG MET A 9 -3.108 5.361 10.009 1.00 0.00 C ATOM 86 SD MET A 9 -3.022 3.937 11.082 1.00 0.00 S ATOM 87 CE MET A 9 -3.118 4.741 12.673 1.00 0.00 C ATOM 0 H MET A 9 -6.940 6.176 10.853 1.00 0.00 H new ATOM 0 HA MET A 9 -5.373 5.926 8.359 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.233 7.199 10.083 1.00 0.00 H new ATOM 0 HB3 MET A 9 -4.674 6.044 11.325 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.073 5.044 8.967 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.244 6.005 10.175 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.264 4.445 13.282 1.00 0.00 H new ATOM 0 HE2 MET A 9 -3.108 5.822 12.535 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.040 4.447 13.174 1.00 0.00 H new ATOM 97 N LEU A 10 -5.152 3.482 8.365 1.00 0.00 N ATOM 98 CA LEU A 10 -5.139 2.031 8.282 1.00 0.00 C ATOM 99 C LEU A 10 -3.701 1.530 8.432 1.00 0.00 C ATOM 100 O LEU A 10 -2.764 2.166 7.952 1.00 0.00 O ATOM 101 CB LEU A 10 -5.822 1.562 6.996 1.00 0.00 C ATOM 102 CG LEU A 10 -7.343 1.409 7.063 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.732 0.028 7.594 1.00 0.00 C ATOM 104 CD2 LEU A 10 -7.972 2.536 7.884 1.00 0.00 C ATOM 0 H LEU A 10 -4.808 3.960 7.532 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.716 1.597 9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.582 2.269 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.392 0.602 6.709 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.739 1.488 6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.818 -0.055 7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.332 -0.742 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.323 -0.105 8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.053 2.403 7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.574 2.513 8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.738 3.496 7.424 1.00 0.00 H new ATOM 116 N ARG A 11 -3.571 0.393 9.101 1.00 0.00 N ATOM 117 CA ARG A 11 -2.264 -0.201 9.320 1.00 0.00 C ATOM 118 C ARG A 11 -1.941 -1.200 8.207 1.00 0.00 C ATOM 119 O ARG A 11 -2.434 -2.327 8.217 1.00 0.00 O ATOM 120 CB ARG A 11 -2.203 -0.917 10.671 1.00 0.00 C ATOM 121 CG ARG A 11 -0.756 -1.088 11.137 1.00 0.00 C ATOM 122 CD ARG A 11 -0.695 -1.398 12.634 1.00 0.00 C ATOM 123 NE ARG A 11 0.452 -0.693 13.250 1.00 0.00 N ATOM 124 CZ ARG A 11 0.419 0.583 13.656 1.00 0.00 C ATOM 125 NH1 ARG A 11 -0.703 1.303 13.513 1.00 0.00 N ATOM 126 NH2 ARG A 11 1.507 1.140 14.204 1.00 0.00 N ATOM 0 H ARG A 11 -4.350 -0.132 9.498 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.530 0.604 9.315 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.763 -0.348 11.413 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.681 -1.893 10.591 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.282 -1.893 10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.193 -0.179 10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.623 -1.090 13.116 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.597 -2.473 12.788 1.00 0.00 H new ATOM 0 HE ARG A 11 1.322 -1.211 13.373 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.531 0.879 13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.728 2.275 13.822 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.361 0.592 14.312 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.482 2.112 14.513 1.00 0.00 H new ATOM 140 N VAL A 12 -1.115 -0.750 7.274 1.00 0.00 N ATOM 141 CA VAL A 12 -0.720 -1.590 6.156 1.00 0.00 C ATOM 142 C VAL A 12 0.604 -2.282 6.485 1.00 0.00 C ATOM 143 O VAL A 12 1.658 -1.648 6.480 1.00 0.00 O ATOM 144 CB VAL A 12 -0.657 -0.759 4.873 1.00 0.00 C ATOM 145 CG1 VAL A 12 -0.069 -1.574 3.720 1.00 0.00 C ATOM 146 CG2 VAL A 12 -2.038 -0.209 4.508 1.00 0.00 C ATOM 0 H VAL A 12 -0.708 0.185 7.269 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.461 -2.371 5.986 1.00 0.00 H new ATOM 0 HB VAL A 12 0.004 0.088 5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.036 -0.960 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.940 -1.894 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.692 -2.450 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.966 0.378 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.730 -1.037 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.403 0.424 5.317 1.00 0.00 H new ATOM 156 N ARG A 13 0.507 -3.574 6.765 1.00 0.00 N ATOM 157 CA ARG A 13 1.684 -4.358 7.096 1.00 0.00 C ATOM 158 C ARG A 13 2.323 -4.920 5.825 1.00 0.00 C ATOM 159 O ARG A 13 1.637 -5.505 4.988 1.00 0.00 O ATOM 160 CB ARG A 13 1.330 -5.514 8.035 1.00 0.00 C ATOM 161 CG ARG A 13 2.543 -6.414 8.279 1.00 0.00 C ATOM 162 CD ARG A 13 3.030 -6.297 9.725 1.00 0.00 C ATOM 163 NE ARG A 13 3.045 -7.632 10.363 1.00 0.00 N ATOM 164 CZ ARG A 13 4.019 -8.536 10.189 1.00 0.00 C ATOM 165 NH1 ARG A 13 5.062 -8.254 9.396 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.950 -9.723 10.809 1.00 0.00 N ATOM 0 H ARG A 13 -0.369 -4.097 6.769 1.00 0.00 H new ATOM 0 HA ARG A 13 2.390 -3.698 7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.969 -5.118 8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.518 -6.101 7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.281 -7.450 8.062 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.348 -6.139 7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.030 -5.863 9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.379 -5.625 10.284 1.00 0.00 H new ATOM 0 HE ARG A 13 2.266 -7.880 10.973 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.115 -7.351 8.925 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.803 -8.942 9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.156 -9.938 11.413 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.691 -10.411 10.677 1.00 0.00 H new ATOM 180 N SER A 14 3.629 -4.723 5.720 1.00 0.00 N ATOM 181 CA SER A 14 4.367 -5.203 4.564 1.00 0.00 C ATOM 182 C SER A 14 5.565 -6.039 5.019 1.00 0.00 C ATOM 183 O SER A 14 6.138 -5.784 6.078 1.00 0.00 O ATOM 184 CB SER A 14 4.834 -4.040 3.687 1.00 0.00 C ATOM 185 OG SER A 14 4.698 -2.785 4.348 1.00 0.00 O ATOM 0 H SER A 14 4.195 -4.238 6.416 1.00 0.00 H new ATOM 0 HA SER A 14 3.701 -5.827 3.968 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.877 -4.192 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.256 -4.028 2.763 1.00 0.00 H new ATOM 0 HG SER A 14 5.134 -2.828 5.225 1.00 0.00 H new ATOM 191 N ARG A 15 5.909 -7.019 4.197 1.00 0.00 N ATOM 192 CA ARG A 15 7.029 -7.893 4.502 1.00 0.00 C ATOM 193 C ARG A 15 8.286 -7.068 4.782 1.00 0.00 C ATOM 194 O ARG A 15 9.180 -7.516 5.498 1.00 0.00 O ATOM 195 CB ARG A 15 7.307 -8.856 3.345 1.00 0.00 C ATOM 196 CG ARG A 15 7.596 -8.091 2.053 1.00 0.00 C ATOM 197 CD ARG A 15 7.917 -9.052 0.906 1.00 0.00 C ATOM 198 NE ARG A 15 9.379 -9.263 0.816 1.00 0.00 N ATOM 199 CZ ARG A 15 9.960 -10.154 0.002 1.00 0.00 C ATOM 200 NH1 ARG A 15 9.207 -10.924 -0.796 1.00 0.00 N ATOM 201 NH2 ARG A 15 11.294 -10.277 -0.014 1.00 0.00 N ATOM 0 H ARG A 15 5.432 -7.227 3.320 1.00 0.00 H new ATOM 0 HA ARG A 15 6.766 -8.472 5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.157 -9.492 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.449 -9.512 3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.734 -7.479 1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.434 -7.412 2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.413 -10.005 1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.541 -8.648 -0.034 1.00 0.00 H new ATOM 0 HE ARG A 15 9.982 -8.695 1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.191 -10.831 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.650 -11.602 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.867 -9.692 0.594 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.736 -10.956 -0.634 1.00 0.00 H new ATOM 215 N ASP A 16 8.314 -5.876 4.204 1.00 0.00 N ATOM 216 CA ASP A 16 9.447 -4.984 4.383 1.00 0.00 C ATOM 217 C ASP A 16 9.380 -4.354 5.775 1.00 0.00 C ATOM 218 O ASP A 16 10.400 -3.943 6.324 1.00 0.00 O ATOM 219 CB ASP A 16 9.426 -3.854 3.351 1.00 0.00 C ATOM 220 CG ASP A 16 10.794 -3.249 3.027 1.00 0.00 C ATOM 221 OD1 ASP A 16 11.481 -2.850 3.992 1.00 0.00 O ATOM 222 OD2 ASP A 16 11.122 -3.200 1.822 1.00 0.00 O ATOM 0 H ASP A 16 7.570 -5.507 3.611 1.00 0.00 H new ATOM 0 HA ASP A 16 10.359 -5.568 4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.985 -4.233 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.772 -3.062 3.715 1.00 0.00 H new ATOM 227 N GLY A 17 8.167 -4.299 6.307 1.00 0.00 N ATOM 228 CA GLY A 17 7.953 -3.726 7.625 1.00 0.00 C ATOM 229 C GLY A 17 6.508 -3.253 7.789 1.00 0.00 C ATOM 230 O GLY A 17 5.695 -3.399 6.877 1.00 0.00 O ATOM 0 H GLY A 17 7.323 -4.642 5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.186 -4.467 8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.633 -2.888 7.776 1.00 0.00 H new ATOM 234 N LEU A 18 6.230 -2.695 8.959 1.00 0.00 N ATOM 235 CA LEU A 18 4.897 -2.200 9.254 1.00 0.00 C ATOM 236 C LEU A 18 4.818 -0.715 8.895 1.00 0.00 C ATOM 237 O LEU A 18 5.751 0.042 9.159 1.00 0.00 O ATOM 238 CB LEU A 18 4.523 -2.502 10.707 1.00 0.00 C ATOM 239 CG LEU A 18 3.328 -1.727 11.267 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.648 -0.236 11.387 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.072 -1.978 10.430 1.00 0.00 C ATOM 0 H LEU A 18 6.906 -2.575 9.713 1.00 0.00 H new ATOM 0 HA LEU A 18 4.155 -2.716 8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.312 -3.568 10.793 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.390 -2.297 11.335 1.00 0.00 H new ATOM 0 HG LEU A 18 3.124 -2.094 12.273 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.782 0.291 11.787 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.497 -0.099 12.056 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.893 0.164 10.403 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.237 -1.416 10.849 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.248 -1.655 9.404 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.835 -3.042 10.440 1.00 0.00 H new ATOM 253 N GLU A 19 3.695 -0.342 8.297 1.00 0.00 N ATOM 254 CA GLU A 19 3.482 1.039 7.899 1.00 0.00 C ATOM 255 C GLU A 19 2.018 1.430 8.104 1.00 0.00 C ATOM 256 O GLU A 19 1.166 0.570 8.324 1.00 0.00 O ATOM 257 CB GLU A 19 3.912 1.263 6.448 1.00 0.00 C ATOM 258 CG GLU A 19 5.425 1.467 6.349 1.00 0.00 C ATOM 259 CD GLU A 19 5.873 1.547 4.888 1.00 0.00 C ATOM 260 OE1 GLU A 19 6.168 0.471 4.325 1.00 0.00 O ATOM 261 OE2 GLU A 19 5.911 2.683 4.367 1.00 0.00 O ATOM 0 H GLU A 19 2.924 -0.973 8.079 1.00 0.00 H new ATOM 0 HA GLU A 19 4.100 1.679 8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.617 0.407 5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.397 2.134 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.707 2.382 6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.940 0.645 6.846 1.00 0.00 H new ATOM 268 N ARG A 20 1.769 2.729 8.025 1.00 0.00 N ATOM 269 CA ARG A 20 0.422 3.246 8.199 1.00 0.00 C ATOM 270 C ARG A 20 0.057 4.177 7.041 1.00 0.00 C ATOM 271 O ARG A 20 0.920 4.859 6.492 1.00 0.00 O ATOM 272 CB ARG A 20 0.291 4.009 9.519 1.00 0.00 C ATOM 273 CG ARG A 20 1.260 5.192 9.567 1.00 0.00 C ATOM 274 CD ARG A 20 0.646 6.373 10.320 1.00 0.00 C ATOM 275 NE ARG A 20 0.573 6.068 11.767 1.00 0.00 N ATOM 276 CZ ARG A 20 1.582 6.259 12.627 1.00 0.00 C ATOM 277 NH1 ARG A 20 2.749 6.754 12.192 1.00 0.00 N ATOM 278 NH2 ARG A 20 1.426 5.953 13.922 1.00 0.00 N ATOM 0 H ARG A 20 2.478 3.439 7.843 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.260 2.396 8.215 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.732 4.367 9.636 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.491 3.337 10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.187 4.888 10.054 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.518 5.497 8.553 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.245 7.269 10.159 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.351 6.583 9.933 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.301 5.689 12.132 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.869 6.985 11.206 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.517 6.899 12.847 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.539 5.574 14.253 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.195 6.099 14.577 1.00 0.00 H new ATOM 292 N VAL A 21 -1.225 4.175 6.704 1.00 0.00 N ATOM 293 CA VAL A 21 -1.715 5.011 5.622 1.00 0.00 C ATOM 294 C VAL A 21 -3.038 5.656 6.040 1.00 0.00 C ATOM 295 O VAL A 21 -3.780 5.094 6.844 1.00 0.00 O ATOM 296 CB VAL A 21 -1.831 4.188 4.337 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.502 4.999 3.226 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.462 3.674 3.889 1.00 0.00 C ATOM 0 H VAL A 21 -1.939 3.608 7.161 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.012 5.817 5.414 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.460 3.323 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.572 4.391 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.502 5.294 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.910 5.890 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.573 3.092 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.201 4.519 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.037 3.044 4.670 1.00 0.00 H new ATOM 308 N SER A 22 -3.292 6.827 5.476 1.00 0.00 N ATOM 309 CA SER A 22 -4.513 7.555 5.781 1.00 0.00 C ATOM 310 C SER A 22 -5.522 7.383 4.645 1.00 0.00 C ATOM 311 O SER A 22 -5.177 7.537 3.474 1.00 0.00 O ATOM 312 CB SER A 22 -4.225 9.039 6.015 1.00 0.00 C ATOM 313 OG SER A 22 -5.299 9.692 6.686 1.00 0.00 O ATOM 0 H SER A 22 -2.674 7.290 4.810 1.00 0.00 H new ATOM 0 HA SER A 22 -4.935 7.145 6.699 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.313 9.143 6.603 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.044 9.529 5.058 1.00 0.00 H new ATOM 0 HG SER A 22 -5.076 10.637 6.818 1.00 0.00 H new ATOM 319 N VAL A 23 -6.750 7.066 5.029 1.00 0.00 N ATOM 320 CA VAL A 23 -7.812 6.871 4.057 1.00 0.00 C ATOM 321 C VAL A 23 -8.923 7.891 4.311 1.00 0.00 C ATOM 322 O VAL A 23 -8.726 8.861 5.042 1.00 0.00 O ATOM 323 CB VAL A 23 -8.307 5.424 4.106 1.00 0.00 C ATOM 324 CG1 VAL A 23 -7.152 4.442 3.892 1.00 0.00 C ATOM 325 CG2 VAL A 23 -9.034 5.137 5.420 1.00 0.00 C ATOM 0 H VAL A 23 -7.033 6.939 6.001 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.440 7.039 3.046 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.019 5.286 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.531 3.421 3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.696 4.623 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.405 4.583 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.375 4.102 5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.354 5.302 6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.892 5.803 5.514 1.00 0.00 H new ATOM 335 N ASP A 24 -10.068 7.638 3.693 1.00 0.00 N ATOM 336 CA ASP A 24 -11.211 8.523 3.843 1.00 0.00 C ATOM 337 C ASP A 24 -12.283 7.825 4.682 1.00 0.00 C ATOM 338 O ASP A 24 -12.815 8.409 5.625 1.00 0.00 O ATOM 339 CB ASP A 24 -11.823 8.866 2.484 1.00 0.00 C ATOM 340 CG ASP A 24 -11.002 9.836 1.631 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.067 9.350 0.960 1.00 0.00 O ATOM 342 OD2 ASP A 24 -11.329 11.042 1.670 1.00 0.00 O ATOM 0 H ASP A 24 -10.228 6.833 3.088 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.869 9.438 4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.964 7.942 1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.812 9.295 2.646 1.00 0.00 H new ATOM 347 N GLY A 25 -12.569 6.587 4.308 1.00 0.00 N ATOM 348 CA GLY A 25 -13.569 5.804 5.015 1.00 0.00 C ATOM 349 C GLY A 25 -13.917 4.531 4.239 1.00 0.00 C ATOM 350 O GLY A 25 -13.178 4.123 3.345 1.00 0.00 O ATOM 0 H GLY A 25 -12.126 6.106 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.197 5.541 6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.468 6.402 5.161 1.00 0.00 H new ATOM 354 N PRO A 26 -15.073 3.924 4.621 1.00 0.00 N ATOM 355 CA PRO A 26 -15.528 2.707 3.971 1.00 0.00 C ATOM 356 C PRO A 26 -16.102 3.007 2.585 1.00 0.00 C ATOM 357 O PRO A 26 -16.129 2.134 1.718 1.00 0.00 O ATOM 358 CB PRO A 26 -16.553 2.113 4.924 1.00 0.00 C ATOM 359 CG PRO A 26 -16.974 3.248 5.843 1.00 0.00 C ATOM 360 CD PRO A 26 -15.973 4.379 5.676 1.00 0.00 C ATOM 0 HA PRO A 26 -14.719 2.000 3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.408 1.714 4.379 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.125 1.288 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.979 3.588 5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.999 2.911 6.879 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.469 5.309 5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.432 4.569 6.603 1.00 0.00 H new ATOM 368 N HIS A 27 -16.548 4.243 2.420 1.00 0.00 N ATOM 369 CA HIS A 27 -17.121 4.669 1.154 1.00 0.00 C ATOM 370 C HIS A 27 -16.109 4.437 0.029 1.00 0.00 C ATOM 371 O HIS A 27 -16.477 4.404 -1.144 1.00 0.00 O ATOM 372 CB HIS A 27 -17.596 6.121 1.233 1.00 0.00 C ATOM 373 CG HIS A 27 -16.583 7.067 1.830 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.775 8.437 1.881 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.367 6.828 2.401 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.716 8.987 2.458 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.845 7.988 2.778 1.00 0.00 N ATOM 0 H HIS A 27 -16.524 4.964 3.142 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.004 4.071 0.931 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.851 6.464 0.230 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.510 6.162 1.826 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.593 8.938 1.534 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.907 5.859 2.525 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.569 10.041 2.642 1.00 0.00 H new ATOM 385 N ILE A 28 -14.855 4.284 0.428 1.00 0.00 N ATOM 386 CA ILE A 28 -13.787 4.056 -0.532 1.00 0.00 C ATOM 387 C ILE A 28 -13.667 2.556 -0.808 1.00 0.00 C ATOM 388 O ILE A 28 -13.922 1.736 0.073 1.00 0.00 O ATOM 389 CB ILE A 28 -12.486 4.698 -0.047 1.00 0.00 C ATOM 390 CG1 ILE A 28 -11.774 3.799 0.966 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.740 6.100 0.511 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.455 3.271 0.398 1.00 0.00 C ATOM 0 H ILE A 28 -14.554 4.313 1.402 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.019 4.538 -1.482 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.821 4.808 -0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.582 4.358 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.420 2.963 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.799 6.533 0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.170 6.729 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.432 6.038 1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.969 2.635 1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.653 2.692 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.802 4.109 0.155 1.00 0.00 H new ATOM 404 N THR A 29 -13.279 2.243 -2.036 1.00 0.00 N ATOM 405 CA THR A 29 -13.123 0.856 -2.440 1.00 0.00 C ATOM 406 C THR A 29 -11.640 0.483 -2.501 1.00 0.00 C ATOM 407 O THR A 29 -10.775 1.356 -2.478 1.00 0.00 O ATOM 408 CB THR A 29 -13.853 0.665 -3.770 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.249 1.621 -4.638 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.319 1.099 -3.701 1.00 0.00 C ATOM 0 H THR A 29 -13.068 2.926 -2.764 1.00 0.00 H new ATOM 0 HA THR A 29 -13.567 0.179 -1.710 1.00 0.00 H new ATOM 0 HB THR A 29 -13.798 -0.382 -4.067 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.662 1.565 -5.525 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.791 0.943 -4.671 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.838 0.509 -2.946 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.374 2.155 -3.437 1.00 0.00 H new ATOM 418 N VAL A 30 -11.393 -0.817 -2.579 1.00 0.00 N ATOM 419 CA VAL A 30 -10.030 -1.316 -2.644 1.00 0.00 C ATOM 420 C VAL A 30 -9.237 -0.492 -3.660 1.00 0.00 C ATOM 421 O VAL A 30 -8.065 -0.188 -3.439 1.00 0.00 O ATOM 422 CB VAL A 30 -10.035 -2.813 -2.962 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.612 -3.335 -3.168 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.757 -3.603 -1.869 1.00 0.00 C ATOM 0 H VAL A 30 -12.113 -1.539 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.536 -1.204 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.581 -2.956 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.644 -4.401 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.146 -2.803 -3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.030 -3.173 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.746 -4.664 -2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.252 -3.450 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.788 -3.259 -1.792 1.00 0.00 H new ATOM 434 N SER A 31 -9.907 -0.153 -4.751 1.00 0.00 N ATOM 435 CA SER A 31 -9.280 0.631 -5.802 1.00 0.00 C ATOM 436 C SER A 31 -8.712 1.926 -5.220 1.00 0.00 C ATOM 437 O SER A 31 -7.559 2.273 -5.476 1.00 0.00 O ATOM 438 CB SER A 31 -10.273 0.943 -6.923 1.00 0.00 C ATOM 439 OG SER A 31 -11.167 1.994 -6.567 1.00 0.00 O ATOM 0 H SER A 31 -10.878 -0.407 -4.930 1.00 0.00 H new ATOM 0 HA SER A 31 -8.466 0.044 -6.228 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.727 1.221 -7.824 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.845 0.046 -7.161 1.00 0.00 H new ATOM 0 HG SER A 31 -11.804 1.669 -5.897 1.00 0.00 H new ATOM 445 N GLN A 32 -9.546 2.607 -4.448 1.00 0.00 N ATOM 446 CA GLN A 32 -9.141 3.857 -3.828 1.00 0.00 C ATOM 447 C GLN A 32 -8.095 3.597 -2.743 1.00 0.00 C ATOM 448 O GLN A 32 -7.205 4.417 -2.524 1.00 0.00 O ATOM 449 CB GLN A 32 -10.349 4.603 -3.258 1.00 0.00 C ATOM 450 CG GLN A 32 -11.314 5.017 -4.370 1.00 0.00 C ATOM 451 CD GLN A 32 -11.957 6.371 -4.063 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.327 7.414 -4.122 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.243 6.296 -3.732 1.00 0.00 N ATOM 0 H GLN A 32 -10.501 2.317 -4.238 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.692 4.491 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.867 3.967 -2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.012 5.487 -2.716 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.780 5.071 -5.318 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.090 4.260 -4.484 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.710 5.390 -3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.762 7.145 -3.508 1.00 0.00 H new ATOM 462 N LEU A 33 -8.236 2.451 -2.092 1.00 0.00 N ATOM 463 CA LEU A 33 -7.314 2.072 -1.035 1.00 0.00 C ATOM 464 C LEU A 33 -5.917 1.878 -1.628 1.00 0.00 C ATOM 465 O LEU A 33 -4.969 2.549 -1.224 1.00 0.00 O ATOM 466 CB LEU A 33 -7.838 0.849 -0.280 1.00 0.00 C ATOM 467 CG LEU A 33 -7.295 0.652 1.137 1.00 0.00 C ATOM 468 CD1 LEU A 33 -7.840 -0.636 1.758 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.766 0.692 1.149 1.00 0.00 C ATOM 0 H LEU A 33 -8.975 1.773 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.238 2.867 -0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.924 0.919 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.605 -0.041 -0.864 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.643 1.480 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.439 -0.753 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.928 -0.586 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.542 -1.489 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.406 0.550 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.376 -0.102 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.424 1.657 0.775 1.00 0.00 H new ATOM 481 N LYS A 34 -5.835 0.957 -2.577 1.00 0.00 N ATOM 482 CA LYS A 34 -4.570 0.666 -3.229 1.00 0.00 C ATOM 483 C LYS A 34 -3.894 1.979 -3.631 1.00 0.00 C ATOM 484 O LYS A 34 -2.824 2.311 -3.123 1.00 0.00 O ATOM 485 CB LYS A 34 -4.779 -0.300 -4.397 1.00 0.00 C ATOM 486 CG LYS A 34 -5.115 -1.705 -3.893 1.00 0.00 C ATOM 487 CD LYS A 34 -5.853 -2.510 -4.964 1.00 0.00 C ATOM 488 CE LYS A 34 -5.469 -3.990 -4.899 1.00 0.00 C ATOM 489 NZ LYS A 34 -6.315 -4.786 -5.816 1.00 0.00 N ATOM 0 H LYS A 34 -6.624 0.403 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.895 0.157 -2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.585 0.064 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.878 -0.335 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.198 -2.223 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.731 -1.636 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.929 -2.403 -4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.616 -2.112 -5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.419 -4.111 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.583 -4.357 -3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.041 -5.788 -5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.313 -4.684 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.186 -4.446 -6.790 1.00 0.00 H new ATOM 503 N THR A 35 -4.547 2.690 -4.539 1.00 0.00 N ATOM 504 CA THR A 35 -4.023 3.959 -5.014 1.00 0.00 C ATOM 505 C THR A 35 -3.354 4.722 -3.869 1.00 0.00 C ATOM 506 O THR A 35 -2.180 5.077 -3.958 1.00 0.00 O ATOM 507 CB THR A 35 -5.171 4.729 -5.669 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.322 4.110 -6.944 1.00 0.00 O ATOM 509 CG2 THR A 35 -4.794 6.175 -5.999 1.00 0.00 C ATOM 0 H THR A 35 -5.434 2.411 -4.958 1.00 0.00 H new ATOM 0 HA THR A 35 -3.244 3.810 -5.762 1.00 0.00 H new ATOM 0 HB THR A 35 -6.037 4.722 -5.006 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.048 4.547 -7.436 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.644 6.676 -6.462 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.520 6.698 -5.083 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.949 6.183 -6.688 1.00 0.00 H new ATOM 517 N LEU A 36 -4.131 4.953 -2.821 1.00 0.00 N ATOM 518 CA LEU A 36 -3.629 5.667 -1.660 1.00 0.00 C ATOM 519 C LEU A 36 -2.230 5.152 -1.315 1.00 0.00 C ATOM 520 O LEU A 36 -1.247 5.878 -1.448 1.00 0.00 O ATOM 521 CB LEU A 36 -4.623 5.572 -0.501 1.00 0.00 C ATOM 522 CG LEU A 36 -5.669 6.686 -0.421 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.680 6.411 0.694 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.003 8.054 -0.266 1.00 0.00 C ATOM 0 H LEU A 36 -5.105 4.658 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.532 6.730 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.143 4.617 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.061 5.560 0.433 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.222 6.702 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.412 7.218 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.189 5.467 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.160 6.351 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.769 8.828 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.408 8.068 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.357 8.243 -1.123 1.00 0.00 H new ATOM 536 N ILE A 37 -2.187 3.902 -0.877 1.00 0.00 N ATOM 537 CA ILE A 37 -0.925 3.281 -0.511 1.00 0.00 C ATOM 538 C ILE A 37 0.025 3.323 -1.709 1.00 0.00 C ATOM 539 O ILE A 37 1.159 3.785 -1.591 1.00 0.00 O ATOM 540 CB ILE A 37 -1.161 1.872 0.038 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.665 1.923 1.481 1.00 0.00 C ATOM 542 CG2 ILE A 37 0.097 1.012 -0.100 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.148 1.555 1.558 1.00 0.00 C ATOM 0 H ILE A 37 -3.005 3.303 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.446 3.836 0.295 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.941 1.399 -0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.084 1.237 2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.513 2.923 1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.098 0.016 0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.372 0.935 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.914 1.471 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.480 1.599 2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.729 2.258 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.293 0.545 1.173 1.00 0.00 H new ATOM 555 N GLN A 38 -0.472 2.834 -2.836 1.00 0.00 N ATOM 556 CA GLN A 38 0.319 2.810 -4.055 1.00 0.00 C ATOM 557 C GLN A 38 1.092 4.121 -4.212 1.00 0.00 C ATOM 558 O GLN A 38 2.202 4.132 -4.740 1.00 0.00 O ATOM 559 CB GLN A 38 -0.564 2.545 -5.276 1.00 0.00 C ATOM 560 CG GLN A 38 0.053 3.148 -6.540 1.00 0.00 C ATOM 561 CD GLN A 38 -0.596 4.492 -6.879 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.446 5.477 -6.176 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.323 4.475 -7.992 1.00 0.00 N ATOM 0 H GLN A 38 -1.413 2.451 -2.931 1.00 0.00 H new ATOM 0 HA GLN A 38 1.038 1.994 -3.983 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.696 1.471 -5.408 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.554 2.970 -5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.125 3.284 -6.397 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.072 2.459 -7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.406 3.615 -8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.797 5.322 -8.304 1.00 0.00 H new ATOM 572 N ASP A 39 0.474 5.195 -3.743 1.00 0.00 N ATOM 573 CA ASP A 39 1.090 6.509 -3.825 1.00 0.00 C ATOM 574 C ASP A 39 1.909 6.763 -2.558 1.00 0.00 C ATOM 575 O ASP A 39 3.133 6.869 -2.617 1.00 0.00 O ATOM 576 CB ASP A 39 0.031 7.608 -3.931 1.00 0.00 C ATOM 577 CG ASP A 39 0.508 8.903 -4.593 1.00 0.00 C ATOM 578 OD1 ASP A 39 1.709 9.211 -4.437 1.00 0.00 O ATOM 579 OD2 ASP A 39 -0.340 9.555 -5.240 1.00 0.00 O ATOM 0 H ASP A 39 -0.447 5.182 -3.305 1.00 0.00 H new ATOM 0 HA ASP A 39 1.722 6.530 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.818 7.221 -4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.331 7.841 -2.930 1.00 0.00 H new ATOM 584 N GLN A 40 1.201 6.852 -1.442 1.00 0.00 N ATOM 585 CA GLN A 40 1.847 7.092 -0.162 1.00 0.00 C ATOM 586 C GLN A 40 3.087 6.206 -0.020 1.00 0.00 C ATOM 587 O GLN A 40 4.184 6.702 0.231 1.00 0.00 O ATOM 588 CB GLN A 40 0.874 6.863 0.995 1.00 0.00 C ATOM 589 CG GLN A 40 0.125 8.150 1.345 1.00 0.00 C ATOM 590 CD GLN A 40 -0.881 7.911 2.473 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.531 7.770 3.633 1.00 0.00 O ATOM 592 NE2 GLN A 40 -2.147 7.872 2.068 1.00 0.00 N ATOM 0 H GLN A 40 0.186 6.762 -1.397 1.00 0.00 H new ATOM 0 HA GLN A 40 2.163 8.135 -0.126 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.160 6.084 0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.420 6.507 1.869 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.837 8.919 1.645 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.395 8.524 0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.371 7.998 1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.894 7.716 2.745 1.00 0.00 H new ATOM 601 N LEU A 41 2.870 4.909 -0.187 1.00 0.00 N ATOM 602 CA LEU A 41 3.956 3.950 -0.080 1.00 0.00 C ATOM 603 C LEU A 41 4.780 3.973 -1.369 1.00 0.00 C ATOM 604 O LEU A 41 5.944 3.575 -1.373 1.00 0.00 O ATOM 605 CB LEU A 41 3.414 2.565 0.279 1.00 0.00 C ATOM 606 CG LEU A 41 2.527 2.493 1.524 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.466 1.066 2.072 1.00 0.00 C ATOM 608 CD2 LEU A 41 2.989 3.495 2.584 1.00 0.00 C ATOM 0 H LEU A 41 1.959 4.501 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 41 4.628 4.225 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.845 2.188 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.259 1.891 0.420 1.00 0.00 H new ATOM 0 HG LEU A 41 1.513 2.771 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.829 1.043 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.055 0.402 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.470 0.735 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.342 3.424 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.016 3.271 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.938 4.505 2.177 1.00 0.00 H new ATOM 620 N GLN A 42 4.144 4.442 -2.432 1.00 0.00 N ATOM 621 CA GLN A 42 4.803 4.522 -3.724 1.00 0.00 C ATOM 622 C GLN A 42 5.030 3.119 -4.292 1.00 0.00 C ATOM 623 O GLN A 42 6.159 2.752 -4.616 1.00 0.00 O ATOM 624 CB GLN A 42 6.121 5.291 -3.620 1.00 0.00 C ATOM 625 CG GLN A 42 5.901 6.676 -3.008 1.00 0.00 C ATOM 626 CD GLN A 42 5.259 7.627 -4.021 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.138 7.332 -5.198 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.855 8.781 -3.498 1.00 0.00 N ATOM 0 H GLN A 42 3.178 4.771 -2.425 1.00 0.00 H new ATOM 0 HA GLN A 42 4.154 5.069 -4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.827 4.728 -3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.566 5.393 -4.610 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.263 6.592 -2.128 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.854 7.085 -2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.987 8.964 -2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.413 9.483 -4.092 1.00 0.00 H new ATOM 637 N ILE A 43 3.940 2.373 -4.394 1.00 0.00 N ATOM 638 CA ILE A 43 4.007 1.019 -4.917 1.00 0.00 C ATOM 639 C ILE A 43 2.901 0.823 -5.956 1.00 0.00 C ATOM 640 O ILE A 43 1.797 1.344 -5.799 1.00 0.00 O ATOM 641 CB ILE A 43 3.965 0.001 -3.776 1.00 0.00 C ATOM 642 CG1 ILE A 43 5.127 0.218 -2.805 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.929 -1.429 -4.317 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.831 -0.415 -1.444 1.00 0.00 C ATOM 0 H ILE A 43 3.006 2.680 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 43 4.957 0.854 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 43 3.043 0.155 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.038 -0.214 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.308 1.286 -2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.900 -2.132 -3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.042 -1.562 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.820 -1.614 -4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.673 -0.246 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.934 0.036 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.675 -1.487 -1.567 1.00 0.00 H new ATOM 656 N PRO A 44 3.244 0.052 -7.022 1.00 0.00 N ATOM 657 CA PRO A 44 2.293 -0.219 -8.087 1.00 0.00 C ATOM 658 C PRO A 44 1.246 -1.241 -7.640 1.00 0.00 C ATOM 659 O PRO A 44 1.592 -2.319 -7.159 1.00 0.00 O ATOM 660 CB PRO A 44 3.137 -0.704 -9.254 1.00 0.00 C ATOM 661 CG PRO A 44 4.469 -1.129 -8.657 1.00 0.00 C ATOM 662 CD PRO A 44 4.541 -0.580 -7.242 1.00 0.00 C ATOM 0 HA PRO A 44 1.715 0.661 -8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.655 -1.537 -9.765 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.274 0.086 -9.992 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.555 -2.216 -8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.295 -0.748 -9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.722 -1.374 -6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.354 0.138 -7.137 1.00 0.00 H new ATOM 670 N ILE A 45 -0.013 -0.867 -7.815 1.00 0.00 N ATOM 671 CA ILE A 45 -1.112 -1.738 -7.436 1.00 0.00 C ATOM 672 C ILE A 45 -0.881 -3.130 -8.026 1.00 0.00 C ATOM 673 O ILE A 45 -0.846 -4.120 -7.295 1.00 0.00 O ATOM 674 CB ILE A 45 -2.451 -1.115 -7.836 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.552 0.331 -7.347 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.622 -1.969 -7.344 1.00 0.00 C ATOM 677 CD1 ILE A 45 -4.001 0.822 -7.381 1.00 0.00 C ATOM 0 H ILE A 45 -0.296 0.028 -8.214 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.151 -1.853 -6.353 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.504 -1.091 -8.924 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.164 0.403 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.932 0.974 -7.972 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.562 -1.504 -7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.555 -2.965 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.584 -2.047 -6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.044 1.852 -7.028 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.378 0.772 -8.402 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.614 0.192 -6.736 1.00 0.00 H new ATOM 689 N HIS A 46 -0.728 -3.163 -9.341 1.00 0.00 N ATOM 690 CA HIS A 46 -0.501 -4.418 -10.037 1.00 0.00 C ATOM 691 C HIS A 46 0.419 -5.309 -9.201 1.00 0.00 C ATOM 692 O HIS A 46 0.321 -6.534 -9.256 1.00 0.00 O ATOM 693 CB HIS A 46 0.037 -4.168 -11.447 1.00 0.00 C ATOM 694 CG HIS A 46 0.657 -2.803 -11.635 1.00 0.00 C ATOM 695 ND1 HIS A 46 -0.091 -1.640 -11.685 1.00 0.00 N ATOM 696 CD2 HIS A 46 1.960 -2.429 -11.783 1.00 0.00 C ATOM 697 CE1 HIS A 46 0.735 -0.619 -11.856 1.00 0.00 C ATOM 698 NE2 HIS A 46 2.006 -1.110 -11.917 1.00 0.00 N ATOM 0 H HIS A 46 -0.757 -2.340 -9.943 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.447 -4.946 -10.160 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.781 -4.929 -11.681 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.777 -4.288 -12.162 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.811 -3.094 -11.790 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.452 0.420 -11.934 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.852 -0.555 -12.045 1.00 0.00 H new ATOM 706 N ASN A 47 1.292 -4.660 -8.446 1.00 0.00 N ATOM 707 CA ASN A 47 2.230 -5.378 -7.599 1.00 0.00 C ATOM 708 C ASN A 47 1.630 -5.535 -6.200 1.00 0.00 C ATOM 709 O ASN A 47 1.716 -6.605 -5.600 1.00 0.00 O ATOM 710 CB ASN A 47 3.548 -4.614 -7.465 1.00 0.00 C ATOM 711 CG ASN A 47 4.399 -4.762 -8.728 1.00 0.00 C ATOM 712 OD1 ASN A 47 3.973 -5.306 -9.734 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.621 -4.249 -8.621 1.00 0.00 N ATOM 0 H ASN A 47 1.370 -3.644 -8.403 1.00 0.00 H new ATOM 0 HA ASN A 47 2.421 -6.349 -8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.344 -3.559 -7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.102 -4.986 -6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.265 -4.297 -9.410 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.914 -3.807 -7.750 1.00 0.00 H new ATOM 720 N GLN A 48 1.034 -4.452 -5.722 1.00 0.00 N ATOM 721 CA GLN A 48 0.420 -4.456 -4.405 1.00 0.00 C ATOM 722 C GLN A 48 -0.556 -5.627 -4.278 1.00 0.00 C ATOM 723 O GLN A 48 -1.307 -5.918 -5.208 1.00 0.00 O ATOM 724 CB GLN A 48 -0.280 -3.126 -4.123 1.00 0.00 C ATOM 725 CG GLN A 48 0.670 -1.948 -4.345 1.00 0.00 C ATOM 726 CD GLN A 48 0.348 -0.796 -3.391 1.00 0.00 C ATOM 727 OE1 GLN A 48 1.110 -0.464 -2.497 1.00 0.00 O ATOM 728 NE2 GLN A 48 -0.820 -0.206 -3.630 1.00 0.00 N ATOM 0 H GLN A 48 0.963 -3.566 -6.223 1.00 0.00 H new ATOM 0 HA GLN A 48 1.205 -4.581 -3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.149 -3.024 -4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.646 -3.114 -3.096 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.699 -2.273 -4.194 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.593 -1.603 -5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.410 -0.534 -4.395 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.126 0.574 -3.048 1.00 0.00 H new ATOM 737 N THR A 49 -0.513 -6.269 -3.119 1.00 0.00 N ATOM 738 CA THR A 49 -1.385 -7.402 -2.859 1.00 0.00 C ATOM 739 C THR A 49 -2.004 -7.289 -1.464 1.00 0.00 C ATOM 740 O THR A 49 -1.318 -7.473 -0.460 1.00 0.00 O ATOM 741 CB THR A 49 -0.570 -8.681 -3.060 1.00 0.00 C ATOM 742 OG1 THR A 49 -0.171 -8.627 -4.427 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.430 -9.943 -2.973 1.00 0.00 C ATOM 0 H THR A 49 0.112 -6.026 -2.350 1.00 0.00 H new ATOM 0 HA THR A 49 -2.225 -7.422 -3.553 1.00 0.00 H new ATOM 0 HB THR A 49 0.221 -8.728 -2.312 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.612 -8.044 -4.516 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.803 -10.822 -3.123 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.900 -9.996 -1.991 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.201 -9.912 -3.743 1.00 0.00 H new ATOM 751 N LEU A 50 -3.294 -6.987 -1.447 1.00 0.00 N ATOM 752 CA LEU A 50 -4.013 -6.847 -0.192 1.00 0.00 C ATOM 753 C LEU A 50 -4.500 -8.223 0.267 1.00 0.00 C ATOM 754 O LEU A 50 -4.915 -9.043 -0.550 1.00 0.00 O ATOM 755 CB LEU A 50 -5.131 -5.812 -0.327 1.00 0.00 C ATOM 756 CG LEU A 50 -4.686 -4.351 -0.418 1.00 0.00 C ATOM 757 CD1 LEU A 50 -3.534 -4.068 0.548 1.00 0.00 C ATOM 758 CD2 LEU A 50 -4.331 -3.975 -1.858 1.00 0.00 C ATOM 0 H LEU A 50 -3.860 -6.835 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.351 -6.466 0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.713 -6.050 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.799 -5.915 0.528 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.522 -3.720 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.237 -3.023 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.857 -4.272 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.687 -4.707 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.018 -2.932 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.518 -4.610 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.203 -4.115 -2.496 1.00 0.00 H new ATOM 770 N SER A 51 -4.434 -8.433 1.574 1.00 0.00 N ATOM 771 CA SER A 51 -4.864 -9.695 2.152 1.00 0.00 C ATOM 772 C SER A 51 -5.091 -9.532 3.656 1.00 0.00 C ATOM 773 O SER A 51 -4.291 -8.898 4.343 1.00 0.00 O ATOM 774 CB SER A 51 -3.839 -10.800 1.886 1.00 0.00 C ATOM 775 OG SER A 51 -4.397 -12.099 2.062 1.00 0.00 O ATOM 0 H SER A 51 -4.089 -7.750 2.249 1.00 0.00 H new ATOM 0 HA SER A 51 -5.802 -9.986 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.458 -10.704 0.869 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.990 -10.676 2.558 1.00 0.00 H new ATOM 0 HG SER A 51 -3.777 -12.772 1.712 1.00 0.00 H new ATOM 781 N THR A 52 -6.185 -10.114 4.124 1.00 0.00 N ATOM 782 CA THR A 52 -6.527 -10.041 5.534 1.00 0.00 C ATOM 783 C THR A 52 -5.894 -11.206 6.297 1.00 0.00 C ATOM 784 O THR A 52 -6.354 -11.568 7.379 1.00 0.00 O ATOM 785 CB THR A 52 -8.052 -9.997 5.649 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.501 -10.946 4.685 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.638 -8.669 5.164 1.00 0.00 C ATOM 0 H THR A 52 -6.846 -10.638 3.551 1.00 0.00 H new ATOM 0 HA THR A 52 -6.126 -9.137 5.992 1.00 0.00 H new ATOM 0 HB THR A 52 -8.342 -10.165 6.686 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.480 -10.983 4.694 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.723 -8.691 5.267 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.233 -7.853 5.762 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.376 -8.517 4.117 1.00 0.00 H new ATOM 795 N ASN A 53 -4.848 -11.762 5.703 1.00 0.00 N ATOM 796 CA ASN A 53 -4.147 -12.879 6.314 1.00 0.00 C ATOM 797 C ASN A 53 -2.650 -12.566 6.370 1.00 0.00 C ATOM 798 O ASN A 53 -2.080 -12.067 5.401 1.00 0.00 O ATOM 799 CB ASN A 53 -4.332 -14.159 5.497 1.00 0.00 C ATOM 800 CG ASN A 53 -4.450 -15.380 6.410 1.00 0.00 C ATOM 801 OD1 ASN A 53 -3.883 -15.438 7.489 1.00 0.00 O ATOM 802 ND2 ASN A 53 -5.216 -16.351 5.920 1.00 0.00 N ATOM 0 H ASN A 53 -4.469 -11.460 4.805 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.555 -13.027 7.314 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.226 -14.074 4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.488 -14.287 4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.357 -17.208 6.455 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.662 -16.238 5.010 1.00 0.00 H new ATOM 809 N ARG A 54 -2.057 -12.872 7.515 1.00 0.00 N ATOM 810 CA ARG A 54 -0.637 -12.630 7.710 1.00 0.00 C ATOM 811 C ARG A 54 0.188 -13.585 6.844 1.00 0.00 C ATOM 812 O ARG A 54 1.380 -13.365 6.635 1.00 0.00 O ATOM 813 CB ARG A 54 -0.244 -12.813 9.177 1.00 0.00 C ATOM 814 CG ARG A 54 -0.298 -14.289 9.579 1.00 0.00 C ATOM 815 CD ARG A 54 1.031 -14.740 10.189 1.00 0.00 C ATOM 816 NE ARG A 54 0.781 -15.658 11.323 1.00 0.00 N ATOM 817 CZ ARG A 54 0.415 -15.256 12.548 1.00 0.00 C ATOM 818 NH1 ARG A 54 0.255 -13.951 12.805 1.00 0.00 N ATOM 819 NH2 ARG A 54 0.211 -16.160 13.516 1.00 0.00 N ATOM 0 H ARG A 54 -2.534 -13.285 8.317 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.432 -11.600 7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.762 -12.425 9.339 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.915 -12.235 9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.103 -14.445 10.297 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.527 -14.899 8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.637 -15.239 9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.597 -13.873 10.530 1.00 0.00 H new ATOM 0 HE ARG A 54 0.894 -16.659 11.162 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.412 -13.263 12.068 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.024 -13.645 13.737 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.334 -17.153 13.320 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.068 -15.855 14.449 1.00 0.00 H new ATOM 833 N ASN A 55 -0.479 -14.624 6.365 1.00 0.00 N ATOM 834 CA ASN A 55 0.178 -15.613 5.527 1.00 0.00 C ATOM 835 C ASN A 55 0.707 -14.933 4.263 1.00 0.00 C ATOM 836 O ASN A 55 1.554 -15.488 3.564 1.00 0.00 O ATOM 837 CB ASN A 55 -0.800 -16.710 5.100 1.00 0.00 C ATOM 838 CG ASN A 55 -1.337 -17.470 6.315 1.00 0.00 C ATOM 839 OD1 ASN A 55 -0.635 -17.722 7.281 1.00 0.00 O ATOM 840 ND2 ASN A 55 -2.616 -17.818 6.214 1.00 0.00 N ATOM 0 H ASN A 55 -1.468 -14.803 6.541 1.00 0.00 H new ATOM 0 HA ASN A 55 0.990 -16.058 6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.629 -16.268 4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.301 -17.404 4.424 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.067 -18.328 6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.146 -17.575 5.377 1.00 0.00 H new ATOM 847 N LEU A 56 0.186 -13.742 4.008 1.00 0.00 N ATOM 848 CA LEU A 56 0.595 -12.981 2.840 1.00 0.00 C ATOM 849 C LEU A 56 2.096 -12.695 2.923 1.00 0.00 C ATOM 850 O LEU A 56 2.819 -12.863 1.943 1.00 0.00 O ATOM 851 CB LEU A 56 -0.264 -11.724 2.691 1.00 0.00 C ATOM 852 CG LEU A 56 -0.082 -10.937 1.392 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.539 -11.758 0.185 1.00 0.00 C ATOM 854 CD2 LEU A 56 -0.792 -9.583 1.467 1.00 0.00 C ATOM 0 H LEU A 56 -0.516 -13.285 4.590 1.00 0.00 H new ATOM 0 HA LEU A 56 0.430 -13.560 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.312 -12.012 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.049 -11.060 3.528 1.00 0.00 H new ATOM 0 HG LEU A 56 0.981 -10.736 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.399 -11.175 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.049 -12.674 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.593 -12.011 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.647 -9.044 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.858 -9.740 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.378 -9.000 2.290 1.00 0.00 H new ATOM 866 N LEU A 57 2.519 -12.266 4.103 1.00 0.00 N ATOM 867 CA LEU A 57 3.921 -11.955 4.328 1.00 0.00 C ATOM 868 C LEU A 57 4.751 -13.233 4.192 1.00 0.00 C ATOM 869 O LEU A 57 5.975 -13.174 4.094 1.00 0.00 O ATOM 870 CB LEU A 57 4.103 -11.243 5.670 1.00 0.00 C ATOM 871 CG LEU A 57 3.794 -9.745 5.682 1.00 0.00 C ATOM 872 CD1 LEU A 57 2.284 -9.497 5.676 1.00 0.00 C ATOM 873 CD2 LEU A 57 4.484 -9.052 6.859 1.00 0.00 C ATOM 0 H LEU A 57 1.916 -12.126 4.914 1.00 0.00 H new ATOM 0 HA LEU A 57 4.283 -11.258 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.465 -11.731 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.133 -11.384 5.997 1.00 0.00 H new ATOM 0 HG LEU A 57 4.196 -9.306 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.091 -8.424 5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.847 -9.937 4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.837 -9.953 6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.248 -7.988 6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.134 -9.488 7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.563 -9.185 6.778 1.00 0.00 H new ATOM 885 N LEU A 58 4.051 -14.358 4.190 1.00 0.00 N ATOM 886 CA LEU A 58 4.708 -15.648 4.067 1.00 0.00 C ATOM 887 C LEU A 58 4.906 -15.976 2.586 1.00 0.00 C ATOM 888 O LEU A 58 5.906 -16.586 2.210 1.00 0.00 O ATOM 889 CB LEU A 58 3.932 -16.720 4.836 1.00 0.00 C ATOM 890 CG LEU A 58 3.544 -16.366 6.273 1.00 0.00 C ATOM 891 CD1 LEU A 58 2.753 -17.503 6.923 1.00 0.00 C ATOM 892 CD2 LEU A 58 4.777 -15.983 7.095 1.00 0.00 C ATOM 0 H LEU A 58 3.035 -14.403 4.272 1.00 0.00 H new ATOM 0 HA LEU A 58 5.698 -15.616 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.022 -16.950 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.532 -17.630 4.856 1.00 0.00 H new ATOM 0 HG LEU A 58 2.891 -15.494 6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.490 -17.226 7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.844 -17.687 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.361 -18.407 6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.474 -15.736 8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.474 -16.821 7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.263 -15.119 6.641 1.00 0.00 H new ATOM 904 N ALA A 59 3.938 -15.556 1.785 1.00 0.00 N ATOM 905 CA ALA A 59 3.994 -15.797 0.353 1.00 0.00 C ATOM 906 C ALA A 59 5.271 -15.175 -0.215 1.00 0.00 C ATOM 907 O ALA A 59 5.509 -13.980 -0.053 1.00 0.00 O ATOM 908 CB ALA A 59 2.731 -15.241 -0.308 1.00 0.00 C ATOM 0 H ALA A 59 3.110 -15.050 2.100 1.00 0.00 H new ATOM 0 HA ALA A 59 4.027 -16.866 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.773 -15.422 -1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.854 -15.736 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.665 -14.169 -0.123 1.00 0.00 H new ATOM 914 N LYS A 60 6.060 -16.016 -0.869 1.00 0.00 N ATOM 915 CA LYS A 60 7.307 -15.564 -1.462 1.00 0.00 C ATOM 916 C LYS A 60 7.188 -15.611 -2.987 1.00 0.00 C ATOM 917 O LYS A 60 7.827 -14.827 -3.687 1.00 0.00 O ATOM 918 CB LYS A 60 8.485 -16.370 -0.912 1.00 0.00 C ATOM 919 CG LYS A 60 9.085 -15.692 0.322 1.00 0.00 C ATOM 920 CD LYS A 60 10.506 -16.194 0.587 1.00 0.00 C ATOM 921 CE LYS A 60 10.914 -15.944 2.040 1.00 0.00 C ATOM 922 NZ LYS A 60 12.374 -15.725 2.138 1.00 0.00 N ATOM 0 H LYS A 60 5.860 -17.007 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 60 7.505 -14.527 -1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.153 -17.376 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.250 -16.475 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.098 -14.612 0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.458 -15.890 1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.566 -17.260 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.204 -15.691 -0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.383 -15.075 2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.626 -16.795 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.634 -15.557 3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.875 -16.566 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.640 -14.898 1.566 1.00 0.00 H new ATOM 936 N SER A 61 6.366 -16.538 -3.456 1.00 0.00 N ATOM 937 CA SER A 61 6.155 -16.697 -4.885 1.00 0.00 C ATOM 938 C SER A 61 4.861 -15.997 -5.304 1.00 0.00 C ATOM 939 O SER A 61 4.101 -15.530 -4.457 1.00 0.00 O ATOM 940 CB SER A 61 6.108 -18.176 -5.273 1.00 0.00 C ATOM 941 OG SER A 61 7.252 -18.568 -6.027 1.00 0.00 O ATOM 0 H SER A 61 5.838 -17.187 -2.872 1.00 0.00 H new ATOM 0 HA SER A 61 6.994 -16.238 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.042 -18.785 -4.371 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.207 -18.369 -5.855 1.00 0.00 H new ATOM 0 HG SER A 61 7.184 -19.519 -6.253 1.00 0.00 H new ATOM 947 N PRO A 62 4.646 -15.944 -6.646 1.00 0.00 N ATOM 948 CA PRO A 62 3.457 -15.308 -7.188 1.00 0.00 C ATOM 949 C PRO A 62 2.224 -16.191 -6.990 1.00 0.00 C ATOM 950 O PRO A 62 1.179 -15.715 -6.548 1.00 0.00 O ATOM 951 CB PRO A 62 3.778 -15.057 -8.653 1.00 0.00 C ATOM 952 CG PRO A 62 4.943 -15.974 -8.987 1.00 0.00 C ATOM 953 CD PRO A 62 5.524 -16.485 -7.678 1.00 0.00 C ATOM 0 HA PRO A 62 3.212 -14.374 -6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.916 -15.274 -9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.042 -14.013 -8.822 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.608 -16.806 -9.607 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.701 -15.436 -9.557 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.542 -17.575 -7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.551 -16.146 -7.542 1.00 0.00 H new ATOM 961 N SER A 63 2.385 -17.462 -7.326 1.00 0.00 N ATOM 962 CA SER A 63 1.298 -18.417 -7.191 1.00 0.00 C ATOM 963 C SER A 63 0.748 -18.384 -5.763 1.00 0.00 C ATOM 964 O SER A 63 -0.450 -18.565 -5.552 1.00 0.00 O ATOM 965 CB SER A 63 1.759 -19.831 -7.549 1.00 0.00 C ATOM 966 OG SER A 63 1.155 -20.300 -8.752 1.00 0.00 O ATOM 0 H SER A 63 3.253 -17.853 -7.692 1.00 0.00 H new ATOM 0 HA SER A 63 0.507 -18.135 -7.886 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.843 -19.842 -7.659 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.515 -20.510 -6.732 1.00 0.00 H new ATOM 0 HG SER A 63 1.476 -21.205 -8.948 1.00 0.00 H new ATOM 972 N ASP A 64 1.650 -18.151 -4.821 1.00 0.00 N ATOM 973 CA ASP A 64 1.269 -18.092 -3.420 1.00 0.00 C ATOM 974 C ASP A 64 0.315 -16.915 -3.204 1.00 0.00 C ATOM 975 O ASP A 64 -0.737 -17.070 -2.585 1.00 0.00 O ATOM 976 CB ASP A 64 2.492 -17.879 -2.526 1.00 0.00 C ATOM 977 CG ASP A 64 2.354 -18.420 -1.101 1.00 0.00 C ATOM 978 OD1 ASP A 64 1.216 -18.379 -0.586 1.00 0.00 O ATOM 979 OD2 ASP A 64 3.390 -18.863 -0.560 1.00 0.00 O ATOM 0 H ASP A 64 2.643 -18.001 -5.000 1.00 0.00 H new ATOM 0 HA ASP A 64 0.792 -19.037 -3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.354 -18.352 -2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.704 -16.811 -2.474 1.00 0.00 H new ATOM 984 N PHE A 65 0.717 -15.766 -3.726 1.00 0.00 N ATOM 985 CA PHE A 65 -0.089 -14.564 -3.598 1.00 0.00 C ATOM 986 C PHE A 65 -1.441 -14.733 -4.294 1.00 0.00 C ATOM 987 O PHE A 65 -2.390 -14.007 -4.001 1.00 0.00 O ATOM 988 CB PHE A 65 0.683 -13.432 -4.279 1.00 0.00 C ATOM 989 CG PHE A 65 1.854 -12.894 -3.454 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.679 -12.595 -2.139 1.00 0.00 C ATOM 991 CD2 PHE A 65 3.070 -12.713 -4.036 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.765 -12.095 -1.374 1.00 0.00 C ATOM 993 CE2 PHE A 65 4.156 -12.214 -3.271 1.00 0.00 C ATOM 994 CZ PHE A 65 3.981 -11.915 -1.956 1.00 0.00 C ATOM 0 H PHE A 65 1.590 -15.642 -4.238 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.276 -14.353 -2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.060 -13.789 -5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.005 -12.614 -4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.714 -12.738 -1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.209 -12.949 -5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.626 -11.857 -0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.122 -12.072 -3.733 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.807 -11.535 -1.374 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.486 -15.696 -5.203 1.00 0.00 N ATOM 1005 CA LEU A 66 -2.705 -15.970 -5.944 1.00 0.00 C ATOM 1006 C LEU A 66 -3.709 -16.670 -5.024 1.00 0.00 C ATOM 1007 O LEU A 66 -4.877 -16.824 -5.378 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.393 -16.752 -7.221 1.00 0.00 C ATOM 1009 CG LEU A 66 -1.525 -16.031 -8.254 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.034 -17.000 -9.331 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.267 -14.835 -8.854 1.00 0.00 C ATOM 0 H LEU A 66 -0.697 -16.296 -5.443 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.167 -15.039 -6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.895 -17.681 -6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.336 -17.026 -7.695 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.643 -15.641 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.419 -16.461 -10.052 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.442 -17.789 -8.868 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.890 -17.441 -9.842 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.628 -14.340 -9.585 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.178 -15.180 -9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.524 -14.132 -8.062 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.216 -17.075 -3.863 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.055 -17.754 -2.890 1.00 0.00 C ATOM 1025 C ALA A 67 -4.933 -16.727 -2.175 1.00 0.00 C ATOM 1026 O ALA A 67 -6.031 -17.050 -1.724 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.174 -18.545 -1.921 1.00 0.00 C ATOM 0 H ALA A 67 -2.246 -16.946 -3.574 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.717 -18.465 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.803 -19.055 -1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.593 -19.281 -2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.498 -17.863 -1.405 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.417 -15.509 -2.092 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.141 -14.432 -1.438 1.00 0.00 C ATOM 1035 C PHE A 68 -5.817 -13.523 -2.466 1.00 0.00 C ATOM 1036 O PHE A 68 -5.148 -12.933 -3.313 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.114 -13.616 -0.651 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.240 -14.453 0.286 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -3.660 -14.716 1.553 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -2.045 -14.935 -0.148 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -2.849 -15.492 2.423 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -1.234 -15.711 0.722 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.654 -15.974 1.989 1.00 0.00 C ATOM 0 H PHE A 68 -3.506 -15.244 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.916 -14.844 -0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.471 -13.086 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.637 -12.861 -0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.610 -14.335 1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.713 -14.728 -1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.181 -15.699 3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.284 -16.092 0.378 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.038 -16.566 2.650 1.00 0.00 H new ATOM 1053 N THR A 69 -7.135 -13.439 -2.359 1.00 0.00 N ATOM 1054 CA THR A 69 -7.909 -12.612 -3.269 1.00 0.00 C ATOM 1055 C THR A 69 -9.159 -12.075 -2.569 1.00 0.00 C ATOM 1056 O THR A 69 -10.239 -12.045 -3.157 1.00 0.00 O ATOM 1057 CB THR A 69 -8.219 -13.443 -4.515 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.110 -14.452 -4.046 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.003 -14.223 -5.017 1.00 0.00 C ATOM 0 H THR A 69 -7.687 -13.930 -1.656 1.00 0.00 H new ATOM 0 HA THR A 69 -7.346 -11.732 -3.580 1.00 0.00 H new ATOM 0 HB THR A 69 -8.581 -12.788 -5.307 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.364 -15.036 -4.791 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.278 -14.796 -5.903 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.203 -13.527 -5.269 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.660 -14.903 -4.237 1.00 0.00 H new ATOM 1067 N ASP A 70 -8.971 -11.665 -1.323 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.070 -11.131 -0.537 1.00 0.00 C ATOM 1069 C ASP A 70 -10.351 -9.692 -0.973 1.00 0.00 C ATOM 1070 O ASP A 70 -11.507 -9.277 -1.050 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.724 -11.114 0.953 1.00 0.00 C ATOM 1072 CG ASP A 70 -9.001 -12.362 1.463 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -8.015 -12.757 0.803 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -9.450 -12.894 2.501 1.00 0.00 O ATOM 0 H ASP A 70 -8.074 -11.692 -0.839 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.940 -11.767 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.101 -10.243 1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.644 -10.987 1.523 1.00 0.00 H new ATOM 1079 N MET A 71 -9.275 -8.969 -1.247 1.00 0.00 N ATOM 1080 CA MET A 71 -9.391 -7.585 -1.674 1.00 0.00 C ATOM 1081 C MET A 71 -8.745 -7.378 -3.045 1.00 0.00 C ATOM 1082 O MET A 71 -7.964 -6.446 -3.232 1.00 0.00 O ATOM 1083 CB MET A 71 -8.714 -6.676 -0.647 1.00 0.00 C ATOM 1084 CG MET A 71 -9.135 -7.047 0.776 1.00 0.00 C ATOM 1085 SD MET A 71 -8.016 -6.309 1.956 1.00 0.00 S ATOM 1086 CE MET A 71 -8.004 -4.627 1.361 1.00 0.00 C ATOM 0 H MET A 71 -8.318 -9.316 -1.182 1.00 0.00 H new ATOM 0 HA MET A 71 -10.449 -7.335 -1.751 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.631 -6.757 -0.742 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.975 -5.637 -0.848 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.153 -6.704 0.964 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.137 -8.131 0.893 1.00 0.00 H new ATOM 0 HE1 MET A 71 -7.436 -4.002 2.049 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.542 -4.593 0.374 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.027 -4.257 1.295 1.00 0.00 H new ATOM 1096 N ALA A 72 -9.094 -8.261 -3.968 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.558 -8.186 -5.317 1.00 0.00 C ATOM 1098 C ALA A 72 -9.472 -7.311 -6.177 1.00 0.00 C ATOM 1099 O ALA A 72 -9.005 -6.624 -7.084 1.00 0.00 O ATOM 1100 CB ALA A 72 -8.402 -9.599 -5.883 1.00 0.00 C ATOM 0 H ALA A 72 -9.742 -9.033 -3.809 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.570 -7.725 -5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.000 -9.543 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.720 -10.170 -5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.374 -10.091 -5.905 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.758 -7.365 -5.861 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.741 -6.586 -6.594 1.00 0.00 C ATOM 1108 C ASP A 73 -11.585 -5.107 -6.234 1.00 0.00 C ATOM 1109 O ASP A 73 -11.677 -4.736 -5.065 1.00 0.00 O ATOM 1110 CB ASP A 73 -13.164 -7.013 -6.230 1.00 0.00 C ATOM 1111 CG ASP A 73 -14.274 -6.274 -6.981 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -14.167 -6.202 -8.224 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.203 -5.796 -6.295 1.00 0.00 O ATOM 0 H ASP A 73 -11.141 -7.936 -5.108 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.576 -6.751 -7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.266 -8.081 -6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.309 -6.865 -5.160 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.345 -4.281 -7.287 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.175 -2.851 -7.094 1.00 0.00 C ATOM 1120 C PRO A 74 -12.518 -2.171 -6.822 1.00 0.00 C ATOM 1121 O PRO A 74 -12.560 -1.045 -6.329 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.506 -2.358 -8.367 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.747 -3.438 -9.409 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.229 -4.685 -8.685 1.00 0.00 C ATOM 0 HA PRO A 74 -10.565 -2.614 -6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.929 -1.405 -8.687 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.439 -2.197 -8.211 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.489 -3.108 -10.136 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.831 -3.647 -9.961 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.186 -5.027 -9.079 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.524 -5.508 -8.802 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.584 -2.883 -7.157 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.926 -2.363 -6.956 1.00 0.00 C ATOM 1134 C ASN A 75 -15.447 -2.821 -5.592 1.00 0.00 C ATOM 1135 O ASN A 75 -16.567 -2.489 -5.208 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.885 -2.883 -8.028 1.00 0.00 C ATOM 1137 CG ASN A 75 -15.787 -2.046 -9.305 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -16.070 -0.860 -9.324 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.370 -2.728 -10.368 1.00 0.00 N ATOM 0 H ASN A 75 -13.546 -3.816 -7.567 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.878 -1.276 -7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.654 -3.924 -8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.907 -2.857 -7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.271 -2.259 -11.268 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -15.150 -3.720 -10.283 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.609 -3.577 -4.898 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.971 -4.084 -3.585 1.00 0.00 C ATOM 1148 C LEU A 76 -14.688 -3.011 -2.533 1.00 0.00 C ATOM 1149 O LEU A 76 -13.684 -2.305 -2.615 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.266 -5.415 -3.312 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.282 -5.896 -1.860 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -15.086 -7.191 -1.720 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.860 -6.043 -1.316 1.00 0.00 C ATOM 0 H LEU A 76 -13.681 -3.851 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.038 -4.300 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.728 -6.182 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.228 -5.327 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.782 -5.140 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -15.081 -7.511 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -16.113 -7.018 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.637 -7.967 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.900 -6.386 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.313 -6.768 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.352 -5.079 -1.359 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.590 -2.922 -1.567 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.450 -1.946 -0.499 1.00 0.00 C ATOM 1167 C ARG A 77 -14.716 -2.565 0.692 1.00 0.00 C ATOM 1168 O ARG A 77 -14.712 -3.784 0.858 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.816 -1.434 -0.038 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.407 -0.455 -1.055 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.936 -0.487 -1.022 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.472 0.892 -1.082 1.00 0.00 N ATOM 1173 CZ ARG A 77 -20.760 1.188 -1.302 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -21.652 0.205 -1.484 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -21.156 2.468 -1.339 1.00 0.00 N ATOM 0 H ARG A 77 -16.421 -3.510 -1.501 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.874 -1.107 -0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.496 -2.275 0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.716 -0.942 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.056 0.554 -0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.056 -0.708 -2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.314 -1.070 -1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.278 -0.980 -0.112 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.820 1.665 -0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.351 -0.769 -1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.633 0.431 -1.651 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.477 3.216 -1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -22.136 2.694 -1.506 1.00 0.00 H new ATOM 1189 N ILE A 78 -14.114 -1.697 1.491 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.378 -2.143 2.662 1.00 0.00 C ATOM 1191 C ILE A 78 -14.368 -2.543 3.758 1.00 0.00 C ATOM 1192 O ILE A 78 -13.977 -3.121 4.772 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.372 -1.078 3.101 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -13.026 0.305 3.153 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -11.132 -1.092 2.205 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.240 1.249 4.066 1.00 0.00 C ATOM 0 H ILE A 78 -14.121 -0.687 1.351 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.787 -3.028 2.426 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.041 -1.317 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.078 0.725 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.050 0.214 3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.433 -0.325 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.653 -2.069 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.425 -0.891 1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.726 2.225 4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.211 0.838 5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.223 1.357 3.689 1.00 0.00 H new ATOM 1208 N SER A 79 -15.630 -2.220 3.518 1.00 0.00 N ATOM 1209 CA SER A 79 -16.679 -2.539 4.473 1.00 0.00 C ATOM 1210 C SER A 79 -16.882 -4.054 4.541 1.00 0.00 C ATOM 1211 O SER A 79 -17.380 -4.573 5.538 1.00 0.00 O ATOM 1212 CB SER A 79 -17.990 -1.844 4.102 1.00 0.00 C ATOM 1213 OG SER A 79 -18.652 -2.494 3.021 1.00 0.00 O ATOM 0 H SER A 79 -15.950 -1.741 2.677 1.00 0.00 H new ATOM 0 HA SER A 79 -16.371 -2.176 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.648 -1.824 4.971 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.787 -0.808 3.832 1.00 0.00 H new ATOM 0 HG SER A 79 -19.485 -2.021 2.816 1.00 0.00 H new ATOM 1219 N SER A 80 -16.485 -4.721 3.467 1.00 0.00 N ATOM 1220 CA SER A 80 -16.617 -6.166 3.392 1.00 0.00 C ATOM 1221 C SER A 80 -15.803 -6.824 4.508 1.00 0.00 C ATOM 1222 O SER A 80 -16.145 -7.910 4.974 1.00 0.00 O ATOM 1223 CB SER A 80 -16.167 -6.691 2.027 1.00 0.00 C ATOM 1224 OG SER A 80 -15.992 -8.105 2.030 1.00 0.00 O ATOM 0 H SER A 80 -16.072 -4.287 2.642 1.00 0.00 H new ATOM 0 HA SER A 80 -17.669 -6.420 3.519 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.905 -6.419 1.273 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.230 -6.210 1.745 1.00 0.00 H new ATOM 0 HG SER A 80 -15.419 -8.365 1.279 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.740 -6.139 4.905 1.00 0.00 N ATOM 1231 CA LEU A 81 -13.875 -6.644 5.957 1.00 0.00 C ATOM 1232 C LEU A 81 -14.096 -5.825 7.230 1.00 0.00 C ATOM 1233 O LEU A 81 -13.827 -6.299 8.333 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.419 -6.669 5.488 1.00 0.00 C ATOM 1235 CG LEU A 81 -12.203 -6.767 3.976 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.713 -6.725 3.631 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.889 -8.009 3.404 1.00 0.00 C ATOM 0 H LEU A 81 -14.459 -5.239 4.517 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.128 -7.678 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.927 -5.765 5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.920 -7.514 5.962 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.666 -5.899 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.588 -6.796 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.284 -5.788 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.205 -7.561 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.720 -8.055 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.477 -8.902 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.960 -7.957 3.601 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.585 -4.609 7.036 1.00 0.00 N ATOM 1250 CA ASN A 82 -14.845 -3.719 8.155 1.00 0.00 C ATOM 1251 C ASN A 82 -13.516 -3.214 8.719 1.00 0.00 C ATOM 1252 O ASN A 82 -13.251 -3.353 9.912 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.589 -4.448 9.276 1.00 0.00 C ATOM 1254 CG ASN A 82 -16.650 -3.544 9.907 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.257 -2.709 9.258 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -16.840 -3.759 11.206 1.00 0.00 N ATOM 0 H ASN A 82 -14.808 -4.219 6.120 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.457 -2.892 7.794 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.061 -5.347 8.880 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.880 -4.770 10.039 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.528 -3.208 11.719 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.297 -4.475 11.689 1.00 0.00 H new ATOM 1263 N LEU A 83 -12.715 -2.637 7.835 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.420 -2.110 8.231 1.00 0.00 C ATOM 1265 C LEU A 83 -11.611 -0.746 8.898 1.00 0.00 C ATOM 1266 O LEU A 83 -11.789 0.263 8.217 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.466 -2.081 7.035 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.122 -3.439 6.419 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -10.278 -4.562 7.445 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -10.951 -3.694 5.159 1.00 0.00 C ATOM 0 H LEU A 83 -12.938 -2.523 6.846 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.952 -2.763 8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.906 -1.453 6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.539 -1.600 7.347 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.075 -3.422 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.027 -5.516 6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.610 -4.381 8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.308 -4.590 7.799 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.688 -4.665 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.011 -3.684 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.746 -2.915 4.425 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.568 -0.760 10.222 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.734 0.463 10.989 1.00 0.00 C ATOM 1284 C ALA A 84 -10.358 1.046 11.316 1.00 0.00 C ATOM 1285 O ALA A 84 -9.335 0.413 11.058 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.558 0.171 12.244 1.00 0.00 C ATOM 0 H ALA A 84 -11.421 -1.599 10.783 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.278 1.209 10.409 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.682 1.088 12.819 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.537 -0.212 11.956 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.043 -0.572 12.853 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.377 2.244 11.880 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.143 2.919 12.246 1.00 0.00 C ATOM 1294 C HIS A 85 -8.372 2.066 13.255 1.00 0.00 C ATOM 1295 O HIS A 85 -8.799 1.912 14.398 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.428 4.332 12.759 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.187 5.152 13.020 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.151 6.527 12.865 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -6.941 4.778 13.428 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -6.933 6.950 13.167 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.184 5.865 13.515 1.00 0.00 N ATOM 0 H HIS A 85 -11.228 2.765 12.093 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.513 3.036 11.364 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.049 4.854 12.031 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.006 4.263 13.680 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -8.930 7.115 12.569 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.624 3.768 13.644 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.593 7.975 13.142 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.248 1.535 12.796 1.00 0.00 N ATOM 1310 CA GLY A 86 -6.413 0.702 13.644 1.00 0.00 C ATOM 1311 C GLY A 86 -6.415 -0.749 13.159 1.00 0.00 C ATOM 1312 O GLY A 86 -5.559 -1.541 13.554 1.00 0.00 O ATOM 0 H GLY A 86 -6.896 1.666 11.848 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.393 1.087 13.647 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.773 0.746 14.672 1.00 0.00 H new ATOM 1316 N SER A 87 -7.385 -1.055 12.311 1.00 0.00 N ATOM 1317 CA SER A 87 -7.509 -2.397 11.768 1.00 0.00 C ATOM 1318 C SER A 87 -6.159 -2.870 11.227 1.00 0.00 C ATOM 1319 O SER A 87 -5.226 -2.079 11.098 1.00 0.00 O ATOM 1320 CB SER A 87 -8.570 -2.450 10.667 1.00 0.00 C ATOM 1321 OG SER A 87 -8.725 -3.764 10.137 1.00 0.00 O ATOM 0 H SER A 87 -8.093 -0.396 11.986 1.00 0.00 H new ATOM 0 HA SER A 87 -7.824 -3.063 12.571 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.524 -2.105 11.066 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.294 -1.766 9.865 1.00 0.00 H new ATOM 0 HG SER A 87 -9.591 -4.128 10.414 1.00 0.00 H new ATOM 1327 N MET A 88 -6.097 -4.159 10.925 1.00 0.00 N ATOM 1328 CA MET A 88 -4.876 -4.747 10.401 1.00 0.00 C ATOM 1329 C MET A 88 -5.023 -5.084 8.916 1.00 0.00 C ATOM 1330 O MET A 88 -6.094 -5.494 8.472 1.00 0.00 O ATOM 1331 CB MET A 88 -4.544 -6.019 11.184 1.00 0.00 C ATOM 1332 CG MET A 88 -3.204 -6.605 10.736 1.00 0.00 C ATOM 1333 SD MET A 88 -1.932 -6.193 11.919 1.00 0.00 S ATOM 1334 CE MET A 88 -0.829 -5.256 10.874 1.00 0.00 C ATOM 0 H MET A 88 -6.873 -4.812 11.033 1.00 0.00 H new ATOM 0 HA MET A 88 -4.070 -4.022 10.511 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.509 -5.795 12.250 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.334 -6.756 11.039 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.285 -7.688 10.639 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.938 -6.216 9.753 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.198 -5.398 11.209 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.925 -5.598 9.844 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.086 -4.198 10.930 1.00 0.00 H new ATOM 1344 N VAL A 89 -3.931 -4.899 8.189 1.00 0.00 N ATOM 1345 CA VAL A 89 -3.925 -5.178 6.763 1.00 0.00 C ATOM 1346 C VAL A 89 -2.508 -5.556 6.327 1.00 0.00 C ATOM 1347 O VAL A 89 -1.532 -4.995 6.824 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.489 -3.982 5.993 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -4.821 -4.367 4.549 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -5.715 -3.402 6.701 1.00 0.00 C ATOM 0 H VAL A 89 -3.044 -4.559 8.561 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.571 -6.026 6.537 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.721 -3.209 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.220 -3.499 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.917 -4.711 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.563 -5.165 4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.096 -2.553 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.489 -4.166 6.774 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.435 -3.072 7.702 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.440 -6.504 5.404 1.00 0.00 N ATOM 1361 CA TYR A 90 -1.158 -6.962 4.896 1.00 0.00 C ATOM 1362 C TYR A 90 -1.008 -6.635 3.409 1.00 0.00 C ATOM 1363 O TYR A 90 -1.912 -6.898 2.618 1.00 0.00 O ATOM 1364 CB TYR A 90 -1.153 -8.482 5.074 1.00 0.00 C ATOM 1365 CG TYR A 90 -1.188 -8.938 6.534 1.00 0.00 C ATOM 1366 CD1 TYR A 90 -0.122 -8.666 7.367 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -2.286 -9.620 7.018 1.00 0.00 C ATOM 1368 CE1 TYR A 90 -0.155 -9.095 8.742 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -2.318 -10.049 8.392 1.00 0.00 C ATOM 1370 CZ TYR A 90 -1.251 -9.765 9.186 1.00 0.00 C ATOM 1371 OH TYR A 90 -1.282 -10.170 10.484 1.00 0.00 O ATOM 0 H TYR A 90 -3.251 -6.967 4.995 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.339 -6.475 5.426 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.013 -8.901 4.552 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.262 -8.890 4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.737 -8.132 6.988 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.121 -9.832 6.366 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.672 -8.889 9.405 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.170 -10.584 8.783 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.097 -10.690 10.645 1.00 0.00 H new ATOM 1381 N LEU A 91 0.140 -6.065 3.074 1.00 0.00 N ATOM 1382 CA LEU A 91 0.420 -5.698 1.696 1.00 0.00 C ATOM 1383 C LEU A 91 1.587 -6.539 1.176 1.00 0.00 C ATOM 1384 O LEU A 91 2.546 -6.792 1.903 1.00 0.00 O ATOM 1385 CB LEU A 91 0.648 -4.190 1.579 1.00 0.00 C ATOM 1386 CG LEU A 91 1.325 -3.712 0.293 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.356 -3.764 -0.890 1.00 0.00 C ATOM 1388 CD2 LEU A 91 1.931 -2.319 0.477 1.00 0.00 C ATOM 0 H LEU A 91 0.888 -5.848 3.733 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.439 -5.917 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.316 -3.689 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.253 -3.867 2.426 1.00 0.00 H new ATOM 0 HG LEU A 91 2.146 -4.393 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.863 -3.419 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.014 -4.789 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.501 -3.121 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.406 -2.003 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.145 -1.612 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.675 -2.348 1.273 1.00 0.00 H new ATOM 1400 N ALA A 92 1.467 -6.948 -0.078 1.00 0.00 N ATOM 1401 CA ALA A 92 2.501 -7.755 -0.704 1.00 0.00 C ATOM 1402 C ALA A 92 2.722 -7.270 -2.138 1.00 0.00 C ATOM 1403 O ALA A 92 1.796 -7.273 -2.948 1.00 0.00 O ATOM 1404 CB ALA A 92 2.103 -9.232 -0.642 1.00 0.00 C ATOM 0 H ALA A 92 0.670 -6.736 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 92 3.446 -7.649 -0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.878 -9.838 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.987 -9.534 0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.160 -9.377 -1.169 1.00 0.00 H new ATOM 1410 N TYR A 93 3.955 -6.866 -2.409 1.00 0.00 N ATOM 1411 CA TYR A 93 4.309 -6.380 -3.731 1.00 0.00 C ATOM 1412 C TYR A 93 5.695 -6.878 -4.145 1.00 0.00 C ATOM 1413 O TYR A 93 6.488 -7.291 -3.300 1.00 0.00 O ATOM 1414 CB TYR A 93 4.340 -4.854 -3.625 1.00 0.00 C ATOM 1415 CG TYR A 93 5.336 -4.322 -2.592 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.112 -4.530 -1.246 1.00 0.00 C ATOM 1417 CD2 TYR A 93 6.458 -3.634 -3.007 1.00 0.00 C ATOM 1418 CE1 TYR A 93 6.049 -4.029 -0.275 1.00 0.00 C ATOM 1419 CE2 TYR A 93 7.395 -3.133 -2.035 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.145 -3.355 -0.717 1.00 0.00 C ATOM 1421 OH TYR A 93 8.030 -2.882 0.201 1.00 0.00 O ATOM 0 H TYR A 93 4.721 -6.866 -1.735 1.00 0.00 H new ATOM 0 HA TYR A 93 3.594 -6.733 -4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.587 -4.437 -4.601 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.342 -4.497 -3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.234 -5.069 -0.921 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.633 -3.471 -4.060 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.886 -4.185 0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.277 -2.593 -2.346 1.00 0.00 H new ATOM 0 HH TYR A 93 8.764 -2.423 -0.258 1.00 0.00 H new ATOM 1431 N GLU A 94 5.945 -6.823 -5.445 1.00 0.00 N ATOM 1432 CA GLU A 94 7.221 -7.263 -5.982 1.00 0.00 C ATOM 1433 C GLU A 94 8.108 -6.058 -6.299 1.00 0.00 C ATOM 1434 O GLU A 94 7.613 -5.010 -6.712 1.00 0.00 O ATOM 1435 CB GLU A 94 7.023 -8.139 -7.220 1.00 0.00 C ATOM 1436 CG GLU A 94 6.933 -7.285 -8.487 1.00 0.00 C ATOM 1437 CD GLU A 94 6.341 -8.087 -9.648 1.00 0.00 C ATOM 1438 OE1 GLU A 94 5.157 -8.469 -9.528 1.00 0.00 O ATOM 1439 OE2 GLU A 94 7.086 -8.300 -10.629 1.00 0.00 O ATOM 0 H GLU A 94 5.285 -6.480 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 94 7.721 -7.868 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.851 -8.842 -7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.114 -8.730 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.316 -6.407 -8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.925 -6.924 -8.758 1.00 0.00 H new ATOM 1446 N GLY A 95 9.404 -6.246 -6.094 1.00 0.00 N ATOM 1447 CA GLY A 95 10.364 -5.187 -6.353 1.00 0.00 C ATOM 1448 C GLY A 95 10.241 -4.069 -5.315 1.00 0.00 C ATOM 1449 O GLY A 95 9.338 -4.089 -4.481 1.00 0.00 O ATOM 0 H GLY A 95 9.811 -7.116 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.375 -5.595 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.202 -4.781 -7.351 1.00 0.00 H new ATOM 1453 N GLU A 96 11.163 -3.121 -5.402 1.00 0.00 N ATOM 1454 CA GLU A 96 11.169 -1.997 -4.481 1.00 0.00 C ATOM 1455 C GLU A 96 10.079 -0.993 -4.862 1.00 0.00 C ATOM 1456 O GLU A 96 9.310 -1.229 -5.792 1.00 0.00 O ATOM 1457 CB GLU A 96 12.543 -1.327 -4.443 1.00 0.00 C ATOM 1458 CG GLU A 96 12.867 -0.663 -5.783 1.00 0.00 C ATOM 1459 CD GLU A 96 13.428 0.746 -5.575 1.00 0.00 C ATOM 1460 OE1 GLU A 96 14.126 0.934 -4.556 1.00 0.00 O ATOM 1461 OE2 GLU A 96 13.145 1.602 -6.440 1.00 0.00 O ATOM 0 H GLU A 96 11.911 -3.108 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 96 10.957 -2.371 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.566 -0.581 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.306 -2.068 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.590 -1.270 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.967 -0.613 -6.395 1.00 0.00 H new ATOM 1468 N ARG A 97 10.048 0.107 -4.123 1.00 0.00 N ATOM 1469 CA ARG A 97 9.066 1.148 -4.372 1.00 0.00 C ATOM 1470 C ARG A 97 9.520 2.041 -5.528 1.00 0.00 C ATOM 1471 O ARG A 97 10.593 1.833 -6.093 1.00 0.00 O ATOM 1472 CB ARG A 97 8.848 2.009 -3.126 1.00 0.00 C ATOM 1473 CG ARG A 97 8.473 1.145 -1.921 1.00 0.00 C ATOM 1474 CD ARG A 97 8.080 2.014 -0.725 1.00 0.00 C ATOM 1475 NE ARG A 97 9.031 1.802 0.389 1.00 0.00 N ATOM 1476 CZ ARG A 97 9.103 2.585 1.474 1.00 0.00 C ATOM 1477 NH1 ARG A 97 8.281 3.635 1.599 1.00 0.00 N ATOM 1478 NH2 ARG A 97 9.998 2.317 2.435 1.00 0.00 N ATOM 0 H ARG A 97 10.687 0.299 -3.352 1.00 0.00 H new ATOM 0 HA ARG A 97 8.126 0.661 -4.632 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.755 2.572 -2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.059 2.737 -3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.645 0.487 -2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.314 0.507 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.075 3.065 -1.015 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.068 1.767 -0.402 1.00 0.00 H new ATOM 0 HE ARG A 97 9.671 1.011 0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.600 3.839 0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.336 4.231 2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.624 1.517 2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.053 2.913 3.261 1.00 0.00 H new ATOM 1492 N THR A 98 8.681 3.016 -5.846 1.00 0.00 N ATOM 1493 CA THR A 98 8.983 3.942 -6.924 1.00 0.00 C ATOM 1494 C THR A 98 9.474 5.276 -6.360 1.00 0.00 C ATOM 1495 O THR A 98 9.724 5.393 -5.161 1.00 0.00 O ATOM 1496 CB THR A 98 7.734 4.074 -7.798 1.00 0.00 C ATOM 1497 OG1 THR A 98 6.661 4.140 -6.862 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.447 2.806 -8.605 1.00 0.00 C ATOM 0 H THR A 98 7.792 3.185 -5.376 1.00 0.00 H new ATOM 0 HA THR A 98 9.796 3.571 -7.548 1.00 0.00 H new ATOM 0 HB THR A 98 7.854 4.917 -8.478 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.812 4.228 -7.343 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.551 2.953 -9.208 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.293 2.592 -9.259 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.293 1.969 -7.924 1.00 0.00 H new ATOM 1506 N ILE A 99 9.597 6.250 -7.251 1.00 0.00 N ATOM 1507 CA ILE A 99 10.053 7.572 -6.857 1.00 0.00 C ATOM 1508 C ILE A 99 8.847 8.428 -6.469 1.00 0.00 C ATOM 1509 O ILE A 99 7.851 8.467 -7.190 1.00 0.00 O ATOM 1510 CB ILE A 99 10.919 8.190 -7.956 1.00 0.00 C ATOM 1511 CG1 ILE A 99 12.128 7.304 -8.266 1.00 0.00 C ATOM 1512 CG2 ILE A 99 11.332 9.617 -7.592 1.00 0.00 C ATOM 1513 CD1 ILE A 99 12.344 7.178 -9.775 1.00 0.00 C ATOM 0 H ILE A 99 9.389 6.149 -8.244 1.00 0.00 H new ATOM 0 HA ILE A 99 10.694 7.508 -5.978 1.00 0.00 H new ATOM 0 HB ILE A 99 10.323 8.250 -8.866 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.020 7.724 -7.801 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.979 6.315 -7.833 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.947 10.033 -8.390 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.441 10.232 -7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.903 9.605 -6.663 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.209 6.543 -9.967 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.460 6.735 -10.233 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.517 8.166 -10.202 1.00 0.00 H new ATOM 1525 N ARG A 100 8.975 9.095 -5.331 1.00 0.00 N ATOM 1526 CA ARG A 100 7.907 9.949 -4.840 1.00 0.00 C ATOM 1527 C ARG A 100 8.036 11.354 -5.432 1.00 0.00 C ATOM 1528 O ARG A 100 9.082 11.711 -5.970 1.00 0.00 O ATOM 1529 CB ARG A 100 7.936 10.042 -3.313 1.00 0.00 C ATOM 1530 CG ARG A 100 9.058 10.969 -2.841 1.00 0.00 C ATOM 1531 CD ARG A 100 8.491 12.259 -2.246 1.00 0.00 C ATOM 1532 NE ARG A 100 9.125 12.535 -0.938 1.00 0.00 N ATOM 1533 CZ ARG A 100 8.641 13.399 -0.036 1.00 0.00 C ATOM 1534 NH1 ARG A 100 7.514 14.077 -0.295 1.00 0.00 N ATOM 1535 NH2 ARG A 100 9.283 13.586 1.126 1.00 0.00 N ATOM 0 H ARG A 100 9.802 9.061 -4.735 1.00 0.00 H new ATOM 0 HA ARG A 100 6.960 9.507 -5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.977 10.411 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.077 9.049 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 100 9.667 10.458 -2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 100 9.713 11.208 -3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.667 13.091 -2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.412 12.169 -2.124 1.00 0.00 H new ATOM 0 HE ARG A 100 9.985 12.036 -0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.025 13.935 -1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.145 14.735 0.392 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.141 13.070 1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.914 14.244 1.812 1.00 0.00 H new ATOM 1549 N GLY A 101 6.956 12.112 -5.313 1.00 0.00 N ATOM 1550 CA GLY A 101 6.934 13.470 -5.831 1.00 0.00 C ATOM 1551 C GLY A 101 6.308 14.432 -4.819 1.00 0.00 C ATOM 1552 O GLY A 101 5.562 14.011 -3.936 1.00 0.00 O ATOM 0 H GLY A 101 6.090 11.812 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.949 13.791 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.369 13.499 -6.763 1.00 0.00 H new ATOM 1556 N SER A 102 6.633 15.706 -4.983 1.00 0.00 N ATOM 1557 CA SER A 102 6.111 16.731 -4.095 1.00 0.00 C ATOM 1558 C SER A 102 6.225 18.105 -4.758 1.00 0.00 C ATOM 1559 O SER A 102 7.261 18.761 -4.661 1.00 0.00 O ATOM 1560 CB SER A 102 6.848 16.726 -2.754 1.00 0.00 C ATOM 1561 OG SER A 102 6.299 17.671 -1.840 1.00 0.00 O ATOM 0 H SER A 102 7.251 16.052 -5.717 1.00 0.00 H new ATOM 0 HA SER A 102 5.060 16.514 -3.902 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.799 15.729 -2.317 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.902 16.951 -2.919 1.00 0.00 H new ATOM 0 HG SER A 102 6.796 17.636 -0.996 1.00 0.00 H new ATOM 1567 N GLY A 103 5.146 18.500 -5.418 1.00 0.00 N ATOM 1568 CA GLY A 103 5.112 19.784 -6.097 1.00 0.00 C ATOM 1569 C GLY A 103 4.678 20.898 -5.143 1.00 0.00 C ATOM 1570 O GLY A 103 4.028 20.636 -4.132 1.00 0.00 O ATOM 0 H GLY A 103 4.289 17.953 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 103 6.098 20.011 -6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.424 19.735 -6.941 1.00 0.00 H new ATOM 1574 N PRO A 104 5.063 22.150 -5.507 1.00 0.00 N ATOM 1575 CA PRO A 104 4.721 23.305 -4.695 1.00 0.00 C ATOM 1576 C PRO A 104 3.245 23.674 -4.861 1.00 0.00 C ATOM 1577 O PRO A 104 2.809 24.023 -5.957 1.00 0.00 O ATOM 1578 CB PRO A 104 5.663 24.405 -5.156 1.00 0.00 C ATOM 1579 CG PRO A 104 6.178 23.968 -6.518 1.00 0.00 C ATOM 1580 CD PRO A 104 5.834 22.498 -6.697 1.00 0.00 C ATOM 0 HA PRO A 104 4.841 23.118 -3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.144 25.361 -5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.484 24.537 -4.452 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.723 24.565 -7.308 1.00 0.00 H new ATOM 0 HG3 PRO A 104 7.255 24.119 -6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 104 5.255 22.335 -7.606 1.00 0.00 H new ATOM 0 HD3 PRO A 104 6.734 21.888 -6.778 1.00 0.00 H new ATOM 1588 N SER A 105 2.517 23.584 -3.758 1.00 0.00 N ATOM 1589 CA SER A 105 1.100 23.904 -3.768 1.00 0.00 C ATOM 1590 C SER A 105 0.542 23.852 -2.344 1.00 0.00 C ATOM 1591 O SER A 105 0.500 22.788 -1.729 1.00 0.00 O ATOM 1592 CB SER A 105 0.326 22.947 -4.677 1.00 0.00 C ATOM 1593 OG SER A 105 -0.905 23.512 -5.122 1.00 0.00 O ATOM 0 H SER A 105 2.882 23.294 -2.851 1.00 0.00 H new ATOM 0 HA SER A 105 0.980 24.913 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.940 22.690 -5.540 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.126 22.019 -4.141 1.00 0.00 H new ATOM 0 HG SER A 105 -1.369 22.871 -5.701 1.00 0.00 H new ATOM 1599 N SER A 106 0.127 25.015 -1.863 1.00 0.00 N ATOM 1600 CA SER A 106 -0.427 25.115 -0.523 1.00 0.00 C ATOM 1601 C SER A 106 -1.955 25.166 -0.591 1.00 0.00 C ATOM 1602 O SER A 106 -2.541 26.246 -0.645 1.00 0.00 O ATOM 1603 CB SER A 106 0.114 26.347 0.206 1.00 0.00 C ATOM 1604 OG SER A 106 1.446 26.150 0.671 1.00 0.00 O ATOM 0 H SER A 106 0.163 25.895 -2.377 1.00 0.00 H new ATOM 0 HA SER A 106 -0.124 24.232 0.039 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.087 27.206 -0.465 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.534 26.582 1.051 1.00 0.00 H new ATOM 0 HG SER A 106 1.756 26.959 1.129 1.00 0.00 H new ATOM 1610 N GLY A 107 -2.555 23.985 -0.586 1.00 0.00 N ATOM 1611 CA GLY A 107 -4.003 23.882 -0.646 1.00 0.00 C ATOM 1612 C GLY A 107 -4.664 24.860 0.327 1.00 0.00 C ATOM 1613 O GLY A 107 -5.151 24.457 1.382 1.00 0.00 O ATOM 0 H GLY A 107 -2.065 23.092 -0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -4.344 24.087 -1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.309 22.863 -0.407 1.00 0.00 H new TER 1617 GLY A 107