USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 928 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 113 LYS NZ :NH3+ 174:sc= 1.11 (180deg=-0.155) USER MOD Set 1.2: A 115 SER OG : rot 180:sc= 1.01 USER MOD Set 2.1: A 71 ASN :FLIP amide:sc= -0.254 F(o=-0.95,f=0.82) USER MOD Set 2.2: A 73 TYR OH : rot -85:sc= 1.07 USER MOD Set 3.1: A 30 MET CE :methyl -152:sc= -0.965 (180deg=-1.05) USER MOD Set 3.2: A 97 TYR OH : rot 39:sc= 0.197 USER MOD Set 4.1: A 13 MET CE :methyl -160:sc= -1.11 (180deg=-2.46) USER MOD Set 4.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ -161:sc= -0.0881 (180deg=-0.692) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= -0.0148 (180deg=-0.14) USER MOD Single : A 11 GLN : amide:sc=-0.00536 X(o=-0.0054,f=0) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.027) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0699 USER MOD Single : A 24 ASN : amide:sc= -0.0805 K(o=-0.08,f=-1.1) USER MOD Single : A 25 TYR OH : rot -50:sc= 1.23 USER MOD Single : A 27 ASN : amide:sc= 0.306 K(o=0.31,f=-0.22) USER MOD Single : A 29 MET CE :methyl -175:sc= 0 (180deg=-0.0296) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 168:sc=-0.00241 (180deg=-0.143) USER MOD Single : A 35 MET CE :methyl -170:sc= 0 (180deg=-0.0996) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0505) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= 0.741 (180deg=0.494) USER MOD Single : A 44 ASN : amide:sc= 0.151 K(o=0.15,f=-2.7!) USER MOD Single : A 45 THR OG1 : rot -65:sc= 1.19 USER MOD Single : A 48 HIS : no HE2:sc= -0.045 X(o=-0.045,f=-0.51) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= -0.0937 (180deg=-0.374) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.025 X(o=-0.025,f=-0.025) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= -0.199 (180deg=-0.226) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 99:sc= 0.794 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 75 SER OG : rot 77:sc= 2.08 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -172:sc= 1.25 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -164:sc= -0.0885 (180deg=-0.2) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 89 SER OG : rot 180:sc= 0.147 USER MOD Single : A 90 SER OG : rot 180:sc= 0.784 USER MOD Single : A 91 LYS NZ :NH3+ 148:sc= -0.0397 (180deg=-1.24) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0922 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.854 K(o=-0.85,f=-2.2) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= 0.76 K(o=0.76,f=-3.3!) USER MOD Single : A 119 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=-0.39) USER MOD Single : A 123 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -16.708 -10.871 8.693 1.00 0.00 N ATOM 2 CA LYS A 1 -16.393 -10.594 7.277 1.00 0.00 C ATOM 3 C LYS A 1 -14.931 -10.176 7.075 1.00 0.00 C ATOM 4 O LYS A 1 -14.417 -10.296 5.963 1.00 0.00 O ATOM 5 CB LYS A 1 -17.348 -9.558 6.662 1.00 0.00 C ATOM 6 CG LYS A 1 -18.813 -10.020 6.616 1.00 0.00 C ATOM 7 CD LYS A 1 -19.623 -9.572 7.839 1.00 0.00 C ATOM 8 CE LYS A 1 -21.076 -10.040 7.707 1.00 0.00 C ATOM 9 NZ LYS A 1 -21.886 -9.614 8.862 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.574 -11.444 8.750 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.920 -11.391 9.129 1.00 0.00 H new ATOM 0 H3 LYS A 1 -16.852 -9.974 9.199 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.540 -11.535 6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -17.286 -8.633 7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -17.017 -9.328 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -19.283 -9.629 5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -18.843 -11.107 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -19.182 -9.982 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.589 -8.486 7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -21.507 -9.638 6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -21.104 -11.126 7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -22.864 -9.947 8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -21.488 -10.018 9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -21.879 -8.576 8.927 1.00 0.00 H new ATOM 25 N GLU A 2 -14.251 -9.701 8.129 1.00 0.00 N ATOM 26 CA GLU A 2 -12.822 -9.468 8.077 1.00 0.00 C ATOM 27 C GLU A 2 -12.126 -10.725 7.564 1.00 0.00 C ATOM 28 O GLU A 2 -12.435 -11.831 8.000 1.00 0.00 O ATOM 29 CB GLU A 2 -12.264 -9.054 9.445 1.00 0.00 C ATOM 30 CG GLU A 2 -10.742 -8.814 9.381 1.00 0.00 C ATOM 31 CD GLU A 2 -10.183 -8.217 10.670 1.00 0.00 C ATOM 32 OE1 GLU A 2 -10.883 -8.305 11.702 1.00 0.00 O ATOM 33 OE2 GLU A 2 -9.056 -7.682 10.594 1.00 0.00 O ATOM 0 H GLU A 2 -14.681 -9.474 9.026 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.629 -8.641 7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.763 -8.146 9.784 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.481 -9.830 10.179 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.238 -9.758 9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.519 -8.145 8.550 1.00 0.00 H new ATOM 40 N SER A 3 -11.188 -10.542 6.637 1.00 0.00 N ATOM 41 CA SER A 3 -10.461 -11.643 6.028 1.00 0.00 C ATOM 42 C SER A 3 -9.063 -11.141 5.696 1.00 0.00 C ATOM 43 O SER A 3 -8.594 -11.280 4.571 1.00 0.00 O ATOM 44 CB SER A 3 -11.244 -12.148 4.810 1.00 0.00 C ATOM 45 OG SER A 3 -10.764 -13.415 4.402 1.00 0.00 O ATOM 0 H SER A 3 -10.914 -9.623 6.290 1.00 0.00 H new ATOM 0 HA SER A 3 -10.357 -12.497 6.697 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.304 -12.216 5.054 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.151 -11.436 3.990 1.00 0.00 H new ATOM 0 HG SER A 3 -11.275 -13.724 3.625 1.00 0.00 H new ATOM 51 N ALA A 4 -8.442 -10.504 6.699 1.00 0.00 N ATOM 52 CA ALA A 4 -7.097 -9.950 6.747 1.00 0.00 C ATOM 53 C ALA A 4 -6.805 -9.007 5.586 1.00 0.00 C ATOM 54 O ALA A 4 -6.767 -7.788 5.747 1.00 0.00 O ATOM 55 CB ALA A 4 -6.082 -11.089 6.821 1.00 0.00 C ATOM 0 H ALA A 4 -8.926 -10.353 7.584 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.015 -9.339 7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.074 -10.676 6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.264 -11.681 7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.183 -11.724 5.941 1.00 0.00 H new ATOM 61 N ALA A 5 -6.636 -9.594 4.408 1.00 0.00 N ATOM 62 CA ALA A 5 -6.416 -8.915 3.148 1.00 0.00 C ATOM 63 C ALA A 5 -7.469 -7.842 2.914 1.00 0.00 C ATOM 64 O ALA A 5 -7.148 -6.792 2.380 1.00 0.00 O ATOM 65 CB ALA A 5 -6.423 -9.925 2.006 1.00 0.00 C ATOM 0 H ALA A 5 -6.650 -10.609 4.306 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.442 -8.426 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.257 -9.407 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.631 -10.657 2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.386 -10.434 1.976 1.00 0.00 H new ATOM 71 N ALA A 6 -8.715 -8.075 3.329 1.00 0.00 N ATOM 72 CA ALA A 6 -9.768 -7.071 3.222 1.00 0.00 C ATOM 73 C ALA A 6 -9.436 -5.811 4.033 1.00 0.00 C ATOM 74 O ALA A 6 -9.707 -4.693 3.604 1.00 0.00 O ATOM 75 CB ALA A 6 -11.097 -7.679 3.679 1.00 0.00 C ATOM 0 H ALA A 6 -9.018 -8.956 3.744 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.849 -6.765 2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.886 -6.931 3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.343 -8.533 3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.010 -8.007 4.715 1.00 0.00 H new ATOM 81 N LYS A 7 -8.856 -5.977 5.221 1.00 0.00 N ATOM 82 CA LYS A 7 -8.595 -4.899 6.156 1.00 0.00 C ATOM 83 C LYS A 7 -7.310 -4.197 5.715 1.00 0.00 C ATOM 84 O LYS A 7 -7.223 -2.970 5.649 1.00 0.00 O ATOM 85 CB LYS A 7 -8.467 -5.542 7.546 1.00 0.00 C ATOM 86 CG LYS A 7 -9.039 -4.669 8.657 1.00 0.00 C ATOM 87 CD LYS A 7 -8.108 -3.507 9.027 1.00 0.00 C ATOM 88 CE LYS A 7 -8.723 -2.599 10.100 1.00 0.00 C ATOM 89 NZ LYS A 7 -9.054 -3.334 11.333 1.00 0.00 N ATOM 0 H LYS A 7 -8.550 -6.888 5.562 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.387 -4.151 6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.981 -6.503 7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.416 -5.743 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.004 -4.272 8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.219 -5.282 9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.159 -3.903 9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.890 -2.919 8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.026 -1.795 10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.625 -2.133 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.306 -2.659 12.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.859 -3.968 11.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.232 -3.895 11.634 1.00 0.00 H new ATOM 103 N PHE A 8 -6.313 -5.015 5.376 1.00 0.00 N ATOM 104 CA PHE A 8 -5.096 -4.581 4.725 1.00 0.00 C ATOM 105 C PHE A 8 -5.449 -3.712 3.514 1.00 0.00 C ATOM 106 O PHE A 8 -4.978 -2.586 3.411 1.00 0.00 O ATOM 107 CB PHE A 8 -4.287 -5.821 4.328 1.00 0.00 C ATOM 108 CG PHE A 8 -2.947 -5.516 3.705 1.00 0.00 C ATOM 109 CD1 PHE A 8 -2.005 -4.748 4.412 1.00 0.00 C ATOM 110 CD2 PHE A 8 -2.650 -5.984 2.412 1.00 0.00 C ATOM 111 CE1 PHE A 8 -0.804 -4.371 3.793 1.00 0.00 C ATOM 112 CE2 PHE A 8 -1.442 -5.620 1.800 1.00 0.00 C ATOM 113 CZ PHE A 8 -0.536 -4.793 2.482 1.00 0.00 C ATOM 0 H PHE A 8 -6.339 -6.019 5.554 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.487 -3.975 5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.131 -6.437 5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.874 -6.414 3.627 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.206 -4.449 5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.350 -6.622 1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.089 -3.759 4.323 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.209 -5.975 0.807 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.375 -4.479 1.994 1.00 0.00 H new ATOM 123 N GLU A 9 -6.322 -4.212 2.635 1.00 0.00 N ATOM 124 CA GLU A 9 -6.849 -3.498 1.481 1.00 0.00 C ATOM 125 C GLU A 9 -7.449 -2.173 1.939 1.00 0.00 C ATOM 126 O GLU A 9 -6.959 -1.128 1.532 1.00 0.00 O ATOM 127 CB GLU A 9 -7.888 -4.362 0.744 1.00 0.00 C ATOM 128 CG GLU A 9 -8.399 -3.697 -0.544 1.00 0.00 C ATOM 129 CD GLU A 9 -9.705 -4.288 -1.074 1.00 0.00 C ATOM 130 OE1 GLU A 9 -10.403 -4.976 -0.296 1.00 0.00 O ATOM 131 OE2 GLU A 9 -9.992 -4.025 -2.263 1.00 0.00 O ATOM 0 H GLU A 9 -6.691 -5.160 2.715 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.042 -3.289 0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.445 -5.328 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.731 -4.557 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.543 -2.633 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.633 -3.785 -1.315 1.00 0.00 H new ATOM 138 N ARG A 10 -8.486 -2.205 2.784 1.00 0.00 N ATOM 139 CA ARG A 10 -9.150 -1.008 3.287 1.00 0.00 C ATOM 140 C ARG A 10 -8.152 0.087 3.677 1.00 0.00 C ATOM 141 O ARG A 10 -8.353 1.252 3.340 1.00 0.00 O ATOM 142 CB ARG A 10 -10.013 -1.387 4.494 1.00 0.00 C ATOM 143 CG ARG A 10 -11.352 -2.025 4.107 1.00 0.00 C ATOM 144 CD ARG A 10 -12.374 -0.981 3.640 1.00 0.00 C ATOM 145 NE ARG A 10 -13.691 -1.252 4.228 1.00 0.00 N ATOM 146 CZ ARG A 10 -14.677 -1.973 3.676 1.00 0.00 C ATOM 147 NH1 ARG A 10 -14.487 -2.620 2.520 1.00 0.00 N ATOM 148 NH2 ARG A 10 -15.858 -2.046 4.297 1.00 0.00 N ATOM 0 H ARG A 10 -8.888 -3.073 3.138 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.772 -0.603 2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.457 -2.080 5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.203 -0.495 5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.190 -2.754 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.754 -2.569 4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.040 0.017 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.445 -0.994 2.552 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.874 -0.852 5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.584 -2.568 2.049 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.245 -3.165 2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.001 -1.556 5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.617 -2.591 3.888 1.00 0.00 H new ATOM 162 N GLN A 11 -7.096 -0.275 4.409 1.00 0.00 N ATOM 163 CA GLN A 11 -6.125 0.693 4.899 1.00 0.00 C ATOM 164 C GLN A 11 -5.066 1.070 3.849 1.00 0.00 C ATOM 165 O GLN A 11 -4.630 2.216 3.800 1.00 0.00 O ATOM 166 CB GLN A 11 -5.472 0.134 6.166 1.00 0.00 C ATOM 167 CG GLN A 11 -6.506 -0.023 7.290 1.00 0.00 C ATOM 168 CD GLN A 11 -5.889 -0.603 8.556 1.00 0.00 C ATOM 169 OE1 GLN A 11 -5.954 -0.006 9.624 1.00 0.00 O ATOM 170 NE2 GLN A 11 -5.292 -1.785 8.454 1.00 0.00 N ATOM 0 H GLN A 11 -6.895 -1.239 4.674 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.654 1.619 5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.015 -0.831 5.949 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.672 0.799 6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.948 0.948 7.514 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.314 -0.671 6.951 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.252 -2.260 7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.873 -2.218 9.277 1.00 0.00 H new ATOM 179 N HIS A 12 -4.602 0.102 3.056 1.00 0.00 N ATOM 180 CA HIS A 12 -3.437 0.233 2.185 1.00 0.00 C ATOM 181 C HIS A 12 -3.832 0.556 0.742 1.00 0.00 C ATOM 182 O HIS A 12 -3.238 1.424 0.109 1.00 0.00 O ATOM 183 CB HIS A 12 -2.627 -1.072 2.244 1.00 0.00 C ATOM 184 CG HIS A 12 -1.263 -0.984 1.608 1.00 0.00 C ATOM 185 ND1 HIS A 12 -0.104 -0.565 2.237 1.00 0.00 N ATOM 186 CD2 HIS A 12 -0.944 -1.346 0.328 1.00 0.00 C ATOM 187 CE1 HIS A 12 0.900 -0.657 1.346 1.00 0.00 C ATOM 188 NE2 HIS A 12 0.413 -1.128 0.181 1.00 0.00 N ATOM 0 H HIS A 12 -5.039 -0.818 3.002 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.831 1.067 2.538 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.511 -1.367 3.287 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.195 -1.861 1.751 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.621 -1.728 -0.422 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.931 -0.395 1.534 1.00 0.00 H new ATOM 0 HE2 HIS A 12 0.955 -1.295 -0.667 1.00 0.00 H new ATOM 197 N MET A 13 -4.792 -0.192 0.195 1.00 0.00 N ATOM 198 CA MET A 13 -5.199 -0.101 -1.195 1.00 0.00 C ATOM 199 C MET A 13 -6.480 0.719 -1.320 1.00 0.00 C ATOM 200 O MET A 13 -7.575 0.287 -0.958 1.00 0.00 O ATOM 201 CB MET A 13 -5.362 -1.495 -1.793 1.00 0.00 C ATOM 202 CG MET A 13 -5.396 -1.377 -3.319 1.00 0.00 C ATOM 203 SD MET A 13 -5.912 -2.849 -4.198 1.00 0.00 S ATOM 204 CE MET A 13 -7.681 -2.638 -3.994 1.00 0.00 C ATOM 0 H MET A 13 -5.315 -0.891 0.723 1.00 0.00 H new ATOM 0 HA MET A 13 -4.421 0.412 -1.760 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.538 -2.137 -1.483 1.00 0.00 H new ATOM 0 HB3 MET A 13 -6.280 -1.956 -1.430 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.067 -0.561 -3.587 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.401 -1.098 -3.666 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.181 -3.594 -4.146 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.890 -2.274 -2.988 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.048 -1.917 -4.724 1.00 0.00 H new ATOM 214 N ASP A 14 -6.354 1.899 -1.912 1.00 0.00 N ATOM 215 CA ASP A 14 -7.413 2.894 -1.909 1.00 0.00 C ATOM 216 C ASP A 14 -8.214 2.712 -3.187 1.00 0.00 C ATOM 217 O ASP A 14 -8.206 3.564 -4.069 1.00 0.00 O ATOM 218 CB ASP A 14 -6.840 4.307 -1.730 1.00 0.00 C ATOM 219 CG ASP A 14 -6.398 4.585 -0.290 1.00 0.00 C ATOM 220 OD1 ASP A 14 -5.966 3.625 0.384 1.00 0.00 O ATOM 221 OD2 ASP A 14 -6.498 5.763 0.112 1.00 0.00 O ATOM 0 H ASP A 14 -5.512 2.192 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.084 2.759 -1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.989 4.438 -2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.592 5.040 -2.023 1.00 0.00 H new ATOM 226 N SER A 15 -8.867 1.552 -3.283 1.00 0.00 N ATOM 227 CA SER A 15 -9.527 1.071 -4.489 1.00 0.00 C ATOM 228 C SER A 15 -10.519 2.099 -5.055 1.00 0.00 C ATOM 229 O SER A 15 -11.664 2.165 -4.611 1.00 0.00 O ATOM 230 CB SER A 15 -10.249 -0.249 -4.167 1.00 0.00 C ATOM 231 OG SER A 15 -10.442 -0.994 -5.353 1.00 0.00 O ATOM 0 H SER A 15 -8.951 0.906 -2.498 1.00 0.00 H new ATOM 0 HA SER A 15 -8.769 0.909 -5.255 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.663 -0.829 -3.454 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.210 -0.042 -3.697 1.00 0.00 H new ATOM 0 HG SER A 15 -10.900 -1.834 -5.141 1.00 0.00 H new ATOM 237 N GLY A 16 -10.103 2.892 -6.045 1.00 0.00 N ATOM 238 CA GLY A 16 -10.984 3.837 -6.708 1.00 0.00 C ATOM 239 C GLY A 16 -10.234 4.570 -7.815 1.00 0.00 C ATOM 240 O GLY A 16 -9.122 5.050 -7.599 1.00 0.00 O ATOM 0 H GLY A 16 -9.148 2.892 -6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.843 3.312 -7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.370 4.554 -5.984 1.00 0.00 H new ATOM 244 N ASN A 17 -10.829 4.663 -9.008 1.00 0.00 N ATOM 245 CA ASN A 17 -10.289 5.513 -10.061 1.00 0.00 C ATOM 246 C ASN A 17 -10.438 6.965 -9.622 1.00 0.00 C ATOM 247 O ASN A 17 -11.547 7.428 -9.372 1.00 0.00 O ATOM 248 CB ASN A 17 -10.923 5.239 -11.430 1.00 0.00 C ATOM 249 CG ASN A 17 -12.428 5.480 -11.485 1.00 0.00 C ATOM 250 OD1 ASN A 17 -12.882 6.538 -11.905 1.00 0.00 O ATOM 251 ND2 ASN A 17 -13.223 4.483 -11.101 1.00 0.00 N ATOM 0 H ASN A 17 -11.680 4.161 -9.263 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.233 5.285 -10.202 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.438 5.871 -12.175 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.722 4.205 -11.710 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -14.236 4.590 -11.153 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.819 3.613 -10.755 1.00 0.00 H new ATOM 258 N SER A 18 -9.309 7.653 -9.453 1.00 0.00 N ATOM 259 CA SER A 18 -9.253 9.020 -8.954 1.00 0.00 C ATOM 260 C SER A 18 -7.812 9.518 -9.096 1.00 0.00 C ATOM 261 O SER A 18 -6.894 8.747 -8.801 1.00 0.00 O ATOM 262 CB SER A 18 -9.684 9.069 -7.482 1.00 0.00 C ATOM 263 OG SER A 18 -9.665 10.406 -7.025 1.00 0.00 O ATOM 0 H SER A 18 -8.390 7.264 -9.665 1.00 0.00 H new ATOM 0 HA SER A 18 -9.931 9.654 -9.525 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.685 8.651 -7.372 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.015 8.458 -6.876 1.00 0.00 H new ATOM 0 HG SER A 18 -9.942 10.435 -6.085 1.00 0.00 H new ATOM 269 N PRO A 19 -7.587 10.757 -9.561 1.00 0.00 N ATOM 270 CA PRO A 19 -6.258 11.329 -9.675 1.00 0.00 C ATOM 271 C PRO A 19 -5.759 11.754 -8.290 1.00 0.00 C ATOM 272 O PRO A 19 -6.350 12.632 -7.662 1.00 0.00 O ATOM 273 CB PRO A 19 -6.423 12.525 -10.619 1.00 0.00 C ATOM 274 CG PRO A 19 -7.857 12.990 -10.361 1.00 0.00 C ATOM 275 CD PRO A 19 -8.597 11.691 -10.037 1.00 0.00 C ATOM 0 HA PRO A 19 -5.520 10.627 -10.063 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.701 13.311 -10.400 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.276 12.238 -11.660 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.907 13.698 -9.534 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.281 13.488 -11.233 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.362 11.857 -9.278 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.103 11.301 -10.920 1.00 0.00 H new ATOM 283 N SER A 20 -4.661 11.149 -7.825 1.00 0.00 N ATOM 284 CA SER A 20 -4.045 11.430 -6.542 1.00 0.00 C ATOM 285 C SER A 20 -2.543 11.621 -6.742 1.00 0.00 C ATOM 286 O SER A 20 -1.813 10.631 -6.773 1.00 0.00 O ATOM 287 CB SER A 20 -4.321 10.251 -5.611 1.00 0.00 C ATOM 288 OG SER A 20 -5.710 10.084 -5.404 1.00 0.00 O ATOM 0 H SER A 20 -4.168 10.430 -8.354 1.00 0.00 H new ATOM 0 HA SER A 20 -4.454 12.340 -6.103 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.901 9.340 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.824 10.414 -4.655 1.00 0.00 H new ATOM 0 HG SER A 20 -5.862 9.323 -4.806 1.00 0.00 H new ATOM 294 N SER A 21 -2.076 12.868 -6.902 1.00 0.00 N ATOM 295 CA SER A 21 -0.664 13.143 -7.160 1.00 0.00 C ATOM 296 C SER A 21 -0.258 14.557 -6.711 1.00 0.00 C ATOM 297 O SER A 21 0.397 15.279 -7.458 1.00 0.00 O ATOM 298 CB SER A 21 -0.349 12.883 -8.645 1.00 0.00 C ATOM 299 OG SER A 21 1.020 12.563 -8.812 1.00 0.00 O ATOM 0 H SER A 21 -2.662 13.702 -6.856 1.00 0.00 H new ATOM 0 HA SER A 21 -0.061 12.462 -6.559 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.968 12.066 -9.017 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.597 13.765 -9.236 1.00 0.00 H new ATOM 0 HG SER A 21 1.204 12.399 -9.760 1.00 0.00 H new ATOM 305 N SER A 22 -0.620 14.942 -5.482 1.00 0.00 N ATOM 306 CA SER A 22 -0.125 16.158 -4.836 1.00 0.00 C ATOM 307 C SER A 22 0.073 15.870 -3.348 1.00 0.00 C ATOM 308 O SER A 22 -0.748 15.186 -2.739 1.00 0.00 O ATOM 309 CB SER A 22 -1.093 17.329 -5.042 1.00 0.00 C ATOM 310 OG SER A 22 -1.368 17.534 -6.412 1.00 0.00 O ATOM 0 H SER A 22 -1.272 14.411 -4.904 1.00 0.00 H new ATOM 0 HA SER A 22 0.825 16.447 -5.286 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.023 17.133 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.665 18.236 -4.615 1.00 0.00 H new ATOM 0 HG SER A 22 -1.989 18.286 -6.512 1.00 0.00 H new ATOM 316 N SER A 23 1.179 16.330 -2.762 1.00 0.00 N ATOM 317 CA SER A 23 1.592 16.005 -1.401 1.00 0.00 C ATOM 318 C SER A 23 0.449 16.240 -0.415 1.00 0.00 C ATOM 319 O SER A 23 -0.004 15.348 0.307 1.00 0.00 O ATOM 320 CB SER A 23 2.792 16.897 -1.066 1.00 0.00 C ATOM 321 OG SER A 23 2.544 18.204 -1.562 1.00 0.00 O ATOM 0 H SER A 23 1.829 16.957 -3.237 1.00 0.00 H new ATOM 0 HA SER A 23 1.864 14.952 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.951 16.926 0.012 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.700 16.491 -1.511 1.00 0.00 H new ATOM 0 HG SER A 23 3.305 18.784 -1.351 1.00 0.00 H new ATOM 327 N ASN A 24 -0.045 17.474 -0.430 1.00 0.00 N ATOM 328 CA ASN A 24 -1.170 17.903 0.384 1.00 0.00 C ATOM 329 C ASN A 24 -2.419 17.060 0.153 1.00 0.00 C ATOM 330 O ASN A 24 -3.218 16.883 1.066 1.00 0.00 O ATOM 331 CB ASN A 24 -1.476 19.383 0.125 1.00 0.00 C ATOM 332 CG ASN A 24 -2.147 19.575 -1.235 1.00 0.00 C ATOM 333 OD1 ASN A 24 -1.577 19.224 -2.265 1.00 0.00 O ATOM 334 ND2 ASN A 24 -3.375 20.086 -1.254 1.00 0.00 N ATOM 0 H ASN A 24 0.334 18.215 -1.020 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.880 17.765 1.426 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.125 19.767 0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.553 19.961 0.164 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.868 20.195 -2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.823 20.369 -0.383 1.00 0.00 H new ATOM 341 N TYR A 25 -2.600 16.537 -1.056 1.00 0.00 N ATOM 342 CA TYR A 25 -3.745 15.713 -1.392 1.00 0.00 C ATOM 343 C TYR A 25 -3.597 14.349 -0.723 1.00 0.00 C ATOM 344 O TYR A 25 -4.565 13.810 -0.198 1.00 0.00 O ATOM 345 CB TYR A 25 -3.835 15.632 -2.912 1.00 0.00 C ATOM 346 CG TYR A 25 -5.163 15.183 -3.485 1.00 0.00 C ATOM 347 CD1 TYR A 25 -5.400 13.813 -3.710 1.00 0.00 C ATOM 348 CD2 TYR A 25 -6.043 16.140 -4.025 1.00 0.00 C ATOM 349 CE1 TYR A 25 -6.463 13.413 -4.537 1.00 0.00 C ATOM 350 CE2 TYR A 25 -7.105 15.735 -4.850 1.00 0.00 C ATOM 351 CZ TYR A 25 -7.274 14.376 -5.159 1.00 0.00 C ATOM 352 OH TYR A 25 -8.129 14.010 -6.153 1.00 0.00 O ATOM 0 H TYR A 25 -1.951 16.676 -1.830 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.678 16.140 -1.024 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.601 16.615 -3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.062 14.948 -3.264 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.766 13.071 -3.248 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.901 17.188 -3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.657 12.362 -4.695 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.791 16.469 -5.246 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.646 13.482 -6.822 1.00 0.00 H new ATOM 362 N CYS A 26 -2.373 13.812 -0.692 1.00 0.00 N ATOM 363 CA CYS A 26 -2.093 12.564 0.029 1.00 0.00 C ATOM 364 C CYS A 26 -2.347 12.771 1.523 1.00 0.00 C ATOM 365 O CYS A 26 -3.079 12.010 2.159 1.00 0.00 O ATOM 366 CB CYS A 26 -0.655 12.081 -0.213 1.00 0.00 C ATOM 367 SG CYS A 26 0.044 11.119 1.157 1.00 0.00 S ATOM 0 H CYS A 26 -1.562 14.220 -1.156 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.761 11.790 -0.349 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.635 11.473 -1.117 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.019 12.947 -0.397 1.00 0.00 H new ATOM 372 N ASN A 27 -1.747 13.826 2.077 1.00 0.00 N ATOM 373 CA ASN A 27 -1.965 14.238 3.454 1.00 0.00 C ATOM 374 C ASN A 27 -3.455 14.326 3.786 1.00 0.00 C ATOM 375 O ASN A 27 -3.930 13.686 4.724 1.00 0.00 O ATOM 376 CB ASN A 27 -1.282 15.587 3.653 1.00 0.00 C ATOM 377 CG ASN A 27 -1.386 16.046 5.093 1.00 0.00 C ATOM 378 OD1 ASN A 27 -2.152 16.944 5.419 1.00 0.00 O ATOM 379 ND2 ASN A 27 -0.574 15.446 5.947 1.00 0.00 N ATOM 0 H ASN A 27 -1.090 14.421 1.572 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.540 13.496 4.130 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.233 15.512 3.367 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.739 16.329 2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.567 15.727 6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.046 14.702 5.625 1.00 0.00 H new ATOM 386 N LEU A 28 -4.190 15.107 2.991 1.00 0.00 N ATOM 387 CA LEU A 28 -5.628 15.257 3.112 1.00 0.00 C ATOM 388 C LEU A 28 -6.302 13.890 3.083 1.00 0.00 C ATOM 389 O LEU A 28 -7.150 13.615 3.927 1.00 0.00 O ATOM 390 CB LEU A 28 -6.153 16.160 1.988 1.00 0.00 C ATOM 391 CG LEU A 28 -7.688 16.235 1.931 1.00 0.00 C ATOM 392 CD1 LEU A 28 -8.279 16.839 3.211 1.00 0.00 C ATOM 393 CD2 LEU A 28 -8.104 17.085 0.727 1.00 0.00 C ATOM 0 H LEU A 28 -3.788 15.660 2.234 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.864 15.728 4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.752 17.165 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.779 15.793 1.032 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.073 15.220 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.365 16.874 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.999 16.224 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.893 17.849 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.191 17.142 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.692 18.089 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.725 16.630 -0.188 1.00 0.00 H new ATOM 405 N MET A 29 -5.945 13.038 2.118 1.00 0.00 N ATOM 406 CA MET A 29 -6.542 11.721 1.985 1.00 0.00 C ATOM 407 C MET A 29 -6.413 10.958 3.303 1.00 0.00 C ATOM 408 O MET A 29 -7.417 10.487 3.831 1.00 0.00 O ATOM 409 CB MET A 29 -5.929 10.963 0.795 1.00 0.00 C ATOM 410 CG MET A 29 -6.869 9.873 0.270 1.00 0.00 C ATOM 411 SD MET A 29 -6.278 9.039 -1.228 1.00 0.00 S ATOM 412 CE MET A 29 -7.777 8.140 -1.689 1.00 0.00 C ATOM 0 H MET A 29 -5.237 13.247 1.414 1.00 0.00 H new ATOM 0 HA MET A 29 -7.606 11.822 1.770 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.704 11.666 -0.007 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.984 10.513 1.099 1.00 0.00 H new ATOM 0 HG2 MET A 29 -7.017 9.129 1.052 1.00 0.00 H new ATOM 0 HG3 MET A 29 -7.843 10.317 0.065 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.568 7.499 -2.545 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.107 7.528 -0.850 1.00 0.00 H new ATOM 0 HE3 MET A 29 -8.561 8.850 -1.950 1.00 0.00 H new ATOM 422 N MET A 30 -5.204 10.869 3.867 1.00 0.00 N ATOM 423 CA MET A 30 -5.024 10.162 5.130 1.00 0.00 C ATOM 424 C MET A 30 -5.813 10.826 6.257 1.00 0.00 C ATOM 425 O MET A 30 -6.478 10.137 7.030 1.00 0.00 O ATOM 426 CB MET A 30 -3.546 10.052 5.515 1.00 0.00 C ATOM 427 CG MET A 30 -2.790 9.048 4.638 1.00 0.00 C ATOM 428 SD MET A 30 -1.366 8.251 5.435 1.00 0.00 S ATOM 429 CE MET A 30 -0.302 9.679 5.707 1.00 0.00 C ATOM 0 H MET A 30 -4.353 11.271 3.475 1.00 0.00 H new ATOM 0 HA MET A 30 -5.411 9.154 4.983 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.076 11.032 5.429 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.466 9.751 6.560 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.486 8.274 4.315 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.445 9.561 3.740 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.741 9.361 5.709 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.458 10.406 4.910 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.544 10.136 6.667 1.00 0.00 H new ATOM 439 N CYS A 31 -5.723 12.153 6.368 1.00 0.00 N ATOM 440 CA CYS A 31 -6.415 12.906 7.409 1.00 0.00 C ATOM 441 C CYS A 31 -7.922 12.634 7.376 1.00 0.00 C ATOM 442 O CYS A 31 -8.508 12.247 8.383 1.00 0.00 O ATOM 443 CB CYS A 31 -6.121 14.398 7.254 1.00 0.00 C ATOM 444 SG CYS A 31 -7.056 15.288 8.518 1.00 0.00 S ATOM 0 H CYS A 31 -5.168 12.733 5.738 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.046 12.578 8.381 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.054 14.589 7.365 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.405 14.741 6.259 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.824 16.563 8.412 1.00 0.00 H new ATOM 450 N CYS A 32 -8.536 12.795 6.204 1.00 0.00 N ATOM 451 CA CYS A 32 -9.956 12.550 5.973 1.00 0.00 C ATOM 452 C CYS A 32 -10.312 11.088 6.246 1.00 0.00 C ATOM 453 O CYS A 32 -11.275 10.796 6.950 1.00 0.00 O ATOM 454 CB CYS A 32 -10.305 12.932 4.533 1.00 0.00 C ATOM 455 SG CYS A 32 -12.043 12.533 4.238 1.00 0.00 S ATOM 0 H CYS A 32 -8.044 13.108 5.367 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.539 13.163 6.661 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -10.128 13.995 4.370 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.668 12.391 3.833 1.00 0.00 H new ATOM 0 HG CYS A 32 -12.361 12.852 3.019 1.00 0.00 H new ATOM 461 N ARG A 33 -9.511 10.164 5.704 1.00 0.00 N ATOM 462 CA ARG A 33 -9.660 8.730 5.928 1.00 0.00 C ATOM 463 C ARG A 33 -9.463 8.380 7.413 1.00 0.00 C ATOM 464 O ARG A 33 -9.933 7.343 7.874 1.00 0.00 O ATOM 465 CB ARG A 33 -8.693 7.997 4.989 1.00 0.00 C ATOM 466 CG ARG A 33 -9.062 6.535 4.731 1.00 0.00 C ATOM 467 CD ARG A 33 -8.093 5.960 3.691 1.00 0.00 C ATOM 468 NE ARG A 33 -8.525 4.641 3.216 1.00 0.00 N ATOM 469 CZ ARG A 33 -9.257 4.409 2.115 1.00 0.00 C ATOM 470 NH1 ARG A 33 -9.811 5.420 1.435 1.00 0.00 N ATOM 471 NH2 ARG A 33 -9.431 3.153 1.702 1.00 0.00 N ATOM 0 H ARG A 33 -8.732 10.399 5.090 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.673 8.403 5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.658 8.525 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.690 8.038 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.006 5.962 5.657 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.089 6.462 4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.018 6.644 2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.097 5.881 4.126 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.245 3.831 3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.679 6.381 1.752 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.365 5.230 0.600 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.010 2.382 2.221 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.985 2.963 0.867 1.00 0.00 H new ATOM 485 N LYS A 34 -8.780 9.253 8.164 1.00 0.00 N ATOM 486 CA LYS A 34 -8.646 9.232 9.615 1.00 0.00 C ATOM 487 C LYS A 34 -7.733 8.092 10.077 1.00 0.00 C ATOM 488 O LYS A 34 -7.740 7.704 11.246 1.00 0.00 O ATOM 489 CB LYS A 34 -10.033 9.244 10.289 1.00 0.00 C ATOM 490 CG LYS A 34 -10.143 10.222 11.470 1.00 0.00 C ATOM 491 CD LYS A 34 -9.243 9.841 12.654 1.00 0.00 C ATOM 492 CE LYS A 34 -9.466 10.746 13.870 1.00 0.00 C ATOM 493 NZ LYS A 34 -10.813 10.586 14.446 1.00 0.00 N ATOM 0 H LYS A 34 -8.279 10.036 7.745 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.146 10.145 9.940 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.786 9.503 9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.264 8.238 10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.881 11.224 11.130 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.179 10.261 11.807 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.435 8.805 12.935 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.199 9.900 12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.719 10.520 14.631 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.319 11.786 13.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.852 11.056 15.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.516 11.015 13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.023 9.574 14.562 1.00 0.00 H new ATOM 507 N MET A 35 -6.870 7.596 9.184 1.00 0.00 N ATOM 508 CA MET A 35 -5.926 6.544 9.542 1.00 0.00 C ATOM 509 C MET A 35 -4.853 7.067 10.502 1.00 0.00 C ATOM 510 O MET A 35 -4.128 6.289 11.116 1.00 0.00 O ATOM 511 CB MET A 35 -5.297 5.937 8.289 1.00 0.00 C ATOM 512 CG MET A 35 -6.347 5.437 7.296 1.00 0.00 C ATOM 513 SD MET A 35 -5.724 4.227 6.106 1.00 0.00 S ATOM 514 CE MET A 35 -4.346 5.145 5.385 1.00 0.00 C ATOM 0 H MET A 35 -6.809 7.907 8.215 1.00 0.00 H new ATOM 0 HA MET A 35 -6.475 5.758 10.060 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.667 6.683 7.804 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.648 5.109 8.575 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.173 4.992 7.851 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.752 6.290 6.752 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.969 4.610 4.514 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.687 6.135 5.083 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.550 5.245 6.123 1.00 0.00 H new ATOM 524 N THR A 36 -4.756 8.391 10.627 1.00 0.00 N ATOM 525 CA THR A 36 -3.986 9.093 11.632 1.00 0.00 C ATOM 526 C THR A 36 -4.311 8.564 13.033 1.00 0.00 C ATOM 527 O THR A 36 -3.418 8.382 13.861 1.00 0.00 O ATOM 528 CB THR A 36 -4.353 10.579 11.485 1.00 0.00 C ATOM 529 OG1 THR A 36 -5.754 10.679 11.284 1.00 0.00 O ATOM 530 CG2 THR A 36 -3.665 11.190 10.258 1.00 0.00 C ATOM 0 H THR A 36 -5.240 9.027 9.994 1.00 0.00 H new ATOM 0 HA THR A 36 -2.915 8.944 11.496 1.00 0.00 H new ATOM 0 HB THR A 36 -4.034 11.107 12.384 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.005 11.622 11.190 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.939 12.242 10.173 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.584 11.104 10.367 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.983 10.659 9.361 1.00 0.00 H new ATOM 538 N GLN A 37 -5.597 8.320 13.298 1.00 0.00 N ATOM 539 CA GLN A 37 -6.133 7.861 14.577 1.00 0.00 C ATOM 540 C GLN A 37 -5.919 8.899 15.684 1.00 0.00 C ATOM 541 O GLN A 37 -6.856 9.576 16.099 1.00 0.00 O ATOM 542 CB GLN A 37 -5.596 6.463 14.936 1.00 0.00 C ATOM 543 CG GLN A 37 -6.320 5.864 16.149 1.00 0.00 C ATOM 544 CD GLN A 37 -5.716 4.524 16.553 1.00 0.00 C ATOM 545 OE1 GLN A 37 -6.280 3.471 16.290 1.00 0.00 O ATOM 546 NE2 GLN A 37 -4.553 4.549 17.199 1.00 0.00 N ATOM 0 H GLN A 37 -6.324 8.443 12.593 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.213 7.755 14.476 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.713 5.799 14.080 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.528 6.528 15.146 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.263 6.558 16.988 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.377 5.733 15.915 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.104 5.441 17.406 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.111 3.676 17.487 1.00 0.00 H new ATOM 555 N GLY A 38 -4.682 9.015 16.157 1.00 0.00 N ATOM 556 CA GLY A 38 -4.239 10.038 17.097 1.00 0.00 C ATOM 557 C GLY A 38 -2.743 10.299 16.931 1.00 0.00 C ATOM 558 O GLY A 38 -2.067 10.700 17.874 1.00 0.00 O ATOM 0 H GLY A 38 -3.934 8.376 15.886 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.796 10.960 16.931 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.448 9.718 18.118 1.00 0.00 H new ATOM 562 N LYS A 39 -2.224 10.047 15.728 1.00 0.00 N ATOM 563 CA LYS A 39 -0.827 10.194 15.363 1.00 0.00 C ATOM 564 C LYS A 39 -0.764 10.324 13.843 1.00 0.00 C ATOM 565 O LYS A 39 -1.747 10.703 13.206 1.00 0.00 O ATOM 566 CB LYS A 39 0.006 9.024 15.923 1.00 0.00 C ATOM 567 CG LYS A 39 1.342 9.529 16.487 1.00 0.00 C ATOM 568 CD LYS A 39 2.223 8.351 16.925 1.00 0.00 C ATOM 569 CE LYS A 39 3.523 8.830 17.583 1.00 0.00 C ATOM 570 NZ LYS A 39 4.370 9.595 16.649 1.00 0.00 N ATOM 0 H LYS A 39 -2.798 9.720 14.951 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.387 11.089 15.803 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.555 8.514 16.706 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.191 8.293 15.136 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.862 10.118 15.732 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.159 10.188 17.335 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.671 7.724 17.624 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.460 7.732 16.060 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.284 9.451 18.446 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.079 7.969 17.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.280 9.811 17.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.537 9.032 15.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.891 10.482 16.393 1.00 0.00 H new ATOM 584 N CYS A 40 0.395 10.038 13.258 1.00 0.00 N ATOM 585 CA CYS A 40 0.646 10.207 11.842 1.00 0.00 C ATOM 586 C CYS A 40 1.797 9.277 11.461 1.00 0.00 C ATOM 587 O CYS A 40 2.759 9.161 12.219 1.00 0.00 O ATOM 588 CB CYS A 40 0.947 11.685 11.573 1.00 0.00 C ATOM 589 SG CYS A 40 2.686 12.176 11.452 1.00 0.00 S ATOM 0 H CYS A 40 1.199 9.675 13.771 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.215 9.942 11.229 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.453 11.965 10.643 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.486 12.272 12.368 1.00 0.00 H new ATOM 594 N LYS A 41 1.659 8.556 10.345 1.00 0.00 N ATOM 595 CA LYS A 41 2.635 7.567 9.897 1.00 0.00 C ATOM 596 C LYS A 41 3.572 8.183 8.853 1.00 0.00 C ATOM 597 O LYS A 41 3.094 8.866 7.951 1.00 0.00 O ATOM 598 CB LYS A 41 1.919 6.319 9.366 1.00 0.00 C ATOM 599 CG LYS A 41 1.009 6.580 8.151 1.00 0.00 C ATOM 600 CD LYS A 41 -0.190 5.625 8.159 1.00 0.00 C ATOM 601 CE LYS A 41 -1.237 6.053 9.196 1.00 0.00 C ATOM 602 NZ LYS A 41 -2.237 4.995 9.404 1.00 0.00 N ATOM 0 H LYS A 41 0.856 8.646 9.722 1.00 0.00 H new ATOM 0 HA LYS A 41 3.249 7.255 10.742 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.666 5.574 9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.320 5.889 10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.659 7.612 8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.577 6.451 7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.645 5.601 7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.150 4.613 8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.745 6.284 10.141 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.732 6.965 8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.030 5.372 9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.588 4.663 8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.801 4.201 9.915 1.00 0.00 H new ATOM 616 N PRO A 42 4.892 7.957 8.951 1.00 0.00 N ATOM 617 CA PRO A 42 5.879 8.630 8.118 1.00 0.00 C ATOM 618 C PRO A 42 5.832 8.185 6.652 1.00 0.00 C ATOM 619 O PRO A 42 6.270 8.937 5.783 1.00 0.00 O ATOM 620 CB PRO A 42 7.233 8.302 8.757 1.00 0.00 C ATOM 621 CG PRO A 42 6.990 6.955 9.435 1.00 0.00 C ATOM 622 CD PRO A 42 5.546 7.083 9.913 1.00 0.00 C ATOM 0 HA PRO A 42 5.685 9.702 8.082 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.024 8.239 8.010 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.533 9.065 9.476 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.116 6.123 8.742 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.679 6.787 10.263 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.058 6.109 9.953 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.501 7.503 10.918 1.00 0.00 H new ATOM 630 N VAL A 43 5.363 6.963 6.375 1.00 0.00 N ATOM 631 CA VAL A 43 5.372 6.363 5.048 1.00 0.00 C ATOM 632 C VAL A 43 4.040 5.651 4.818 1.00 0.00 C ATOM 633 O VAL A 43 3.453 5.127 5.766 1.00 0.00 O ATOM 634 CB VAL A 43 6.546 5.376 4.929 1.00 0.00 C ATOM 635 CG1 VAL A 43 6.635 4.781 3.515 1.00 0.00 C ATOM 636 CG2 VAL A 43 7.886 6.035 5.280 1.00 0.00 C ATOM 0 H VAL A 43 4.959 6.355 7.087 1.00 0.00 H new ATOM 0 HA VAL A 43 5.500 7.135 4.289 1.00 0.00 H new ATOM 0 HB VAL A 43 6.350 4.578 5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.475 4.088 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.711 4.250 3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.782 5.583 2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.688 5.303 5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.071 6.868 4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.853 6.403 6.305 1.00 0.00 H new ATOM 646 N ASN A 44 3.570 5.614 3.569 1.00 0.00 N ATOM 647 CA ASN A 44 2.453 4.788 3.148 1.00 0.00 C ATOM 648 C ASN A 44 2.585 4.548 1.643 1.00 0.00 C ATOM 649 O ASN A 44 3.425 5.174 0.997 1.00 0.00 O ATOM 650 CB ASN A 44 1.121 5.462 3.500 1.00 0.00 C ATOM 651 CG ASN A 44 0.044 4.399 3.668 1.00 0.00 C ATOM 652 OD1 ASN A 44 -0.506 3.902 2.693 1.00 0.00 O ATOM 653 ND2 ASN A 44 -0.209 3.985 4.905 1.00 0.00 N ATOM 0 H ASN A 44 3.968 6.171 2.813 1.00 0.00 H new ATOM 0 HA ASN A 44 2.467 3.831 3.670 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.225 6.039 4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.837 6.162 2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.878 3.232 5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.266 4.420 5.696 1.00 0.00 H new ATOM 660 N THR A 45 1.769 3.662 1.071 1.00 0.00 N ATOM 661 CA THR A 45 1.783 3.381 -0.357 1.00 0.00 C ATOM 662 C THR A 45 0.372 3.043 -0.822 1.00 0.00 C ATOM 663 O THR A 45 -0.082 1.918 -0.643 1.00 0.00 O ATOM 664 CB THR A 45 2.768 2.245 -0.696 1.00 0.00 C ATOM 665 OG1 THR A 45 4.048 2.473 -0.147 1.00 0.00 O ATOM 666 CG2 THR A 45 2.910 2.089 -2.217 1.00 0.00 C ATOM 0 H THR A 45 1.079 3.119 1.591 1.00 0.00 H new ATOM 0 HA THR A 45 2.127 4.270 -0.886 1.00 0.00 H new ATOM 0 HB THR A 45 2.356 1.335 -0.260 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.448 3.263 -0.567 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.609 1.282 -2.436 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.938 1.855 -2.651 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.284 3.019 -2.645 1.00 0.00 H new ATOM 674 N PHE A 46 -0.311 4.007 -1.438 1.00 0.00 N ATOM 675 CA PHE A 46 -1.678 3.820 -1.890 1.00 0.00 C ATOM 676 C PHE A 46 -1.673 3.082 -3.218 1.00 0.00 C ATOM 677 O PHE A 46 -1.491 3.681 -4.280 1.00 0.00 O ATOM 678 CB PHE A 46 -2.404 5.157 -1.958 1.00 0.00 C ATOM 679 CG PHE A 46 -2.317 5.925 -0.662 1.00 0.00 C ATOM 680 CD1 PHE A 46 -2.939 5.396 0.483 1.00 0.00 C ATOM 681 CD2 PHE A 46 -1.427 7.008 -0.541 1.00 0.00 C ATOM 682 CE1 PHE A 46 -2.702 5.966 1.740 1.00 0.00 C ATOM 683 CE2 PHE A 46 -1.184 7.573 0.720 1.00 0.00 C ATOM 684 CZ PHE A 46 -1.807 7.041 1.860 1.00 0.00 C ATOM 0 H PHE A 46 0.070 4.933 -1.634 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.228 3.207 -1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.979 5.758 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.451 4.986 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.601 4.548 0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.932 7.403 -1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.206 5.580 2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.517 8.418 0.814 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.597 7.460 2.833 1.00 0.00 H new ATOM 694 N VAL A 47 -1.853 1.766 -3.145 1.00 0.00 N ATOM 695 CA VAL A 47 -2.090 0.930 -4.307 1.00 0.00 C ATOM 696 C VAL A 47 -3.548 1.156 -4.750 1.00 0.00 C ATOM 697 O VAL A 47 -4.397 1.537 -3.940 1.00 0.00 O ATOM 698 CB VAL A 47 -1.738 -0.526 -3.949 1.00 0.00 C ATOM 699 CG1 VAL A 47 -1.934 -1.474 -5.143 1.00 0.00 C ATOM 700 CG2 VAL A 47 -0.281 -0.633 -3.472 1.00 0.00 C ATOM 0 H VAL A 47 -1.837 1.249 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.457 1.184 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.416 -0.823 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.675 -2.490 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.975 -1.444 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.291 -1.161 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.054 -1.670 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.387 -0.295 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.141 -0.010 -2.588 1.00 0.00 H new ATOM 710 N HIS A 48 -3.834 0.952 -6.038 1.00 0.00 N ATOM 711 CA HIS A 48 -5.136 1.187 -6.650 1.00 0.00 C ATOM 712 C HIS A 48 -5.339 0.114 -7.720 1.00 0.00 C ATOM 713 O HIS A 48 -4.990 0.346 -8.875 1.00 0.00 O ATOM 714 CB HIS A 48 -5.130 2.571 -7.317 1.00 0.00 C ATOM 715 CG HIS A 48 -4.936 3.744 -6.392 1.00 0.00 C ATOM 716 ND1 HIS A 48 -3.722 4.286 -6.007 1.00 0.00 N ATOM 717 CD2 HIS A 48 -5.929 4.556 -5.921 1.00 0.00 C ATOM 718 CE1 HIS A 48 -3.983 5.396 -5.294 1.00 0.00 C ATOM 719 NE2 HIS A 48 -5.316 5.573 -5.224 1.00 0.00 N ATOM 0 H HIS A 48 -3.140 0.607 -6.702 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.932 1.148 -5.906 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.339 2.589 -8.066 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.074 2.702 -7.847 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -2.798 3.912 -6.224 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.991 4.425 -6.067 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.241 6.043 -4.848 1.00 0.00 H new ATOM 728 N GLU A 49 -5.841 -1.069 -7.354 1.00 0.00 N ATOM 729 CA GLU A 49 -5.919 -2.205 -8.264 1.00 0.00 C ATOM 730 C GLU A 49 -7.136 -3.063 -7.922 1.00 0.00 C ATOM 731 O GLU A 49 -7.674 -2.966 -6.824 1.00 0.00 O ATOM 732 CB GLU A 49 -4.608 -3.000 -8.157 1.00 0.00 C ATOM 733 CG GLU A 49 -4.333 -3.853 -9.405 1.00 0.00 C ATOM 734 CD GLU A 49 -2.880 -4.322 -9.492 1.00 0.00 C ATOM 735 OE1 GLU A 49 -2.167 -4.204 -8.471 1.00 0.00 O ATOM 736 OE2 GLU A 49 -2.509 -4.792 -10.590 1.00 0.00 O ATOM 0 H GLU A 49 -6.203 -1.261 -6.420 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.042 -1.869 -9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.779 -2.309 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.650 -3.647 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.991 -4.722 -9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.578 -3.275 -10.296 1.00 0.00 H new ATOM 743 N SER A 50 -7.595 -3.900 -8.851 1.00 0.00 N ATOM 744 CA SER A 50 -8.742 -4.759 -8.615 1.00 0.00 C ATOM 745 C SER A 50 -8.425 -5.782 -7.518 1.00 0.00 C ATOM 746 O SER A 50 -7.448 -6.523 -7.633 1.00 0.00 O ATOM 747 CB SER A 50 -9.108 -5.453 -9.933 1.00 0.00 C ATOM 748 OG SER A 50 -9.072 -4.501 -10.980 1.00 0.00 O ATOM 0 H SER A 50 -7.183 -3.998 -9.779 1.00 0.00 H new ATOM 0 HA SER A 50 -9.591 -4.167 -8.272 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.410 -6.265 -10.138 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.101 -5.897 -9.862 1.00 0.00 H new ATOM 0 HG SER A 50 -9.303 -4.937 -11.827 1.00 0.00 H new ATOM 754 N LEU A 51 -9.268 -5.871 -6.482 1.00 0.00 N ATOM 755 CA LEU A 51 -9.133 -6.856 -5.408 1.00 0.00 C ATOM 756 C LEU A 51 -8.888 -8.261 -5.982 1.00 0.00 C ATOM 757 O LEU A 51 -8.045 -9.015 -5.499 1.00 0.00 O ATOM 758 CB LEU A 51 -10.404 -6.837 -4.542 1.00 0.00 C ATOM 759 CG LEU A 51 -10.438 -7.926 -3.453 1.00 0.00 C ATOM 760 CD1 LEU A 51 -9.256 -7.819 -2.480 1.00 0.00 C ATOM 761 CD2 LEU A 51 -11.754 -7.822 -2.670 1.00 0.00 C ATOM 0 H LEU A 51 -10.071 -5.253 -6.367 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.272 -6.597 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.493 -5.860 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.273 -6.957 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.363 -8.892 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.327 -8.609 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.321 -7.924 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.279 -6.848 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.780 -8.592 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.823 -6.839 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.594 -7.961 -3.350 1.00 0.00 H new ATOM 773 N ALA A 52 -9.637 -8.611 -7.033 1.00 0.00 N ATOM 774 CA ALA A 52 -9.464 -9.853 -7.769 1.00 0.00 C ATOM 775 C ALA A 52 -8.013 -10.047 -8.217 1.00 0.00 C ATOM 776 O ALA A 52 -7.438 -11.116 -8.013 1.00 0.00 O ATOM 777 CB ALA A 52 -10.417 -9.874 -8.967 1.00 0.00 C ATOM 0 H ALA A 52 -10.390 -8.026 -7.396 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.704 -10.684 -7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.287 -10.805 -9.519 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.446 -9.801 -8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.197 -9.031 -9.622 1.00 0.00 H new ATOM 783 N ASP A 53 -7.410 -9.011 -8.812 1.00 0.00 N ATOM 784 CA ASP A 53 -6.021 -9.090 -9.243 1.00 0.00 C ATOM 785 C ASP A 53 -5.172 -9.260 -7.987 1.00 0.00 C ATOM 786 O ASP A 53 -4.284 -10.096 -7.975 1.00 0.00 O ATOM 787 CB ASP A 53 -5.582 -7.856 -10.055 1.00 0.00 C ATOM 788 CG ASP A 53 -4.084 -7.561 -9.912 1.00 0.00 C ATOM 789 OD1 ASP A 53 -3.712 -6.998 -8.861 1.00 0.00 O ATOM 790 OD2 ASP A 53 -3.336 -7.909 -10.852 1.00 0.00 O ATOM 0 H ASP A 53 -7.863 -8.117 -9.002 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.893 -9.937 -9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.819 -8.014 -11.107 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.153 -6.987 -9.727 1.00 0.00 H new ATOM 795 N VAL A 54 -5.428 -8.484 -6.935 1.00 0.00 N ATOM 796 CA VAL A 54 -4.621 -8.548 -5.721 1.00 0.00 C ATOM 797 C VAL A 54 -4.609 -9.970 -5.141 1.00 0.00 C ATOM 798 O VAL A 54 -3.562 -10.471 -4.730 1.00 0.00 O ATOM 799 CB VAL A 54 -5.086 -7.468 -4.733 1.00 0.00 C ATOM 800 CG1 VAL A 54 -4.480 -7.634 -3.337 1.00 0.00 C ATOM 801 CG2 VAL A 54 -4.696 -6.093 -5.283 1.00 0.00 C ATOM 0 H VAL A 54 -6.188 -7.804 -6.900 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.579 -8.328 -5.953 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.167 -7.566 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.846 -6.841 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.768 -8.603 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.394 -7.576 -3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.021 -5.318 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.614 -6.042 -5.402 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.175 -5.939 -6.250 1.00 0.00 H new ATOM 811 N LYS A 55 -5.752 -10.656 -5.134 1.00 0.00 N ATOM 812 CA LYS A 55 -5.773 -12.054 -4.759 1.00 0.00 C ATOM 813 C LYS A 55 -5.045 -12.927 -5.788 1.00 0.00 C ATOM 814 O LYS A 55 -4.289 -13.813 -5.397 1.00 0.00 O ATOM 815 CB LYS A 55 -7.217 -12.494 -4.517 1.00 0.00 C ATOM 816 CG LYS A 55 -7.734 -11.923 -3.185 1.00 0.00 C ATOM 817 CD LYS A 55 -9.024 -12.608 -2.705 1.00 0.00 C ATOM 818 CE LYS A 55 -10.302 -11.907 -3.177 1.00 0.00 C ATOM 819 NZ LYS A 55 -10.350 -11.756 -4.640 1.00 0.00 N ATOM 0 H LYS A 55 -6.661 -10.265 -5.382 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.223 -12.185 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.850 -12.154 -5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.275 -13.582 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.963 -12.035 -2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.916 -10.854 -3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.032 -13.638 -3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.022 -12.646 -1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.170 -12.477 -2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.368 -10.924 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.307 -11.467 -4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.665 -11.032 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.112 -12.663 -5.091 1.00 0.00 H new ATOM 833 N ALA A 56 -5.231 -12.689 -7.091 1.00 0.00 N ATOM 834 CA ALA A 56 -4.485 -13.422 -8.112 1.00 0.00 C ATOM 835 C ALA A 56 -2.977 -13.343 -7.846 1.00 0.00 C ATOM 836 O ALA A 56 -2.324 -14.376 -7.749 1.00 0.00 O ATOM 837 CB ALA A 56 -4.842 -12.932 -9.518 1.00 0.00 C ATOM 0 H ALA A 56 -5.887 -12.000 -7.458 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.773 -14.472 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.271 -13.496 -10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.908 -13.078 -9.695 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.602 -11.872 -9.606 1.00 0.00 H new ATOM 843 N VAL A 57 -2.446 -12.127 -7.681 1.00 0.00 N ATOM 844 CA VAL A 57 -1.069 -11.798 -7.318 1.00 0.00 C ATOM 845 C VAL A 57 -0.563 -12.718 -6.203 1.00 0.00 C ATOM 846 O VAL A 57 0.487 -13.346 -6.346 1.00 0.00 O ATOM 847 CB VAL A 57 -0.985 -10.306 -6.941 1.00 0.00 C ATOM 848 CG1 VAL A 57 0.312 -9.953 -6.199 1.00 0.00 C ATOM 849 CG2 VAL A 57 -1.106 -9.428 -8.196 1.00 0.00 C ATOM 0 H VAL A 57 -3.011 -11.287 -7.808 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.412 -11.966 -8.172 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.817 -10.111 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.316 -8.890 -5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.374 -10.533 -5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.168 -10.185 -6.832 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.045 -8.377 -7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.296 -9.665 -8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.063 -9.617 -8.682 1.00 0.00 H new ATOM 859 N CYS A 58 -1.322 -12.822 -5.107 1.00 0.00 N ATOM 860 CA CYS A 58 -0.967 -13.676 -3.974 1.00 0.00 C ATOM 861 C CYS A 58 -0.704 -15.126 -4.394 1.00 0.00 C ATOM 862 O CYS A 58 0.070 -15.822 -3.746 1.00 0.00 O ATOM 863 CB CYS A 58 -2.065 -13.621 -2.911 1.00 0.00 C ATOM 864 SG CYS A 58 -1.747 -14.631 -1.446 1.00 0.00 S ATOM 0 H CYS A 58 -2.199 -12.316 -4.983 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.036 -13.291 -3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.199 -12.585 -2.600 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.004 -13.943 -3.361 1.00 0.00 H new ATOM 869 N SER A 59 -1.313 -15.574 -5.494 1.00 0.00 N ATOM 870 CA SER A 59 -1.126 -16.903 -6.051 1.00 0.00 C ATOM 871 C SER A 59 -0.534 -16.858 -7.464 1.00 0.00 C ATOM 872 O SER A 59 -0.752 -17.786 -8.240 1.00 0.00 O ATOM 873 CB SER A 59 -2.489 -17.600 -6.045 1.00 0.00 C ATOM 874 OG SER A 59 -3.008 -17.637 -4.726 1.00 0.00 O ATOM 0 H SER A 59 -1.965 -15.003 -6.031 1.00 0.00 H new ATOM 0 HA SER A 59 -0.409 -17.457 -5.445 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.180 -17.072 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.390 -18.613 -6.435 1.00 0.00 H new ATOM 0 HG SER A 59 -3.881 -18.083 -4.730 1.00 0.00 H new ATOM 880 N GLN A 60 0.202 -15.795 -7.812 1.00 0.00 N ATOM 881 CA GLN A 60 0.684 -15.573 -9.174 1.00 0.00 C ATOM 882 C GLN A 60 2.131 -16.032 -9.319 1.00 0.00 C ATOM 883 O GLN A 60 2.453 -16.797 -10.225 1.00 0.00 O ATOM 884 CB GLN A 60 0.533 -14.093 -9.547 1.00 0.00 C ATOM 885 CG GLN A 60 0.783 -13.797 -11.030 1.00 0.00 C ATOM 886 CD GLN A 60 -0.345 -14.315 -11.918 1.00 0.00 C ATOM 887 OE1 GLN A 60 -1.415 -13.717 -11.980 1.00 0.00 O ATOM 888 NE2 GLN A 60 -0.124 -15.428 -12.611 1.00 0.00 N ATOM 0 H GLN A 60 0.478 -15.066 -7.154 1.00 0.00 H new ATOM 0 HA GLN A 60 0.081 -16.166 -9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.473 -13.763 -9.285 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.227 -13.505 -8.947 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.890 -12.722 -11.171 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.724 -14.254 -11.337 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.776 -15.903 -12.539 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.854 -15.807 -13.214 1.00 0.00 H new ATOM 897 N LYS A 61 3.007 -15.520 -8.453 1.00 0.00 N ATOM 898 CA LYS A 61 4.434 -15.798 -8.493 1.00 0.00 C ATOM 899 C LYS A 61 5.010 -15.687 -7.089 1.00 0.00 C ATOM 900 O LYS A 61 5.369 -14.605 -6.625 1.00 0.00 O ATOM 901 CB LYS A 61 5.116 -14.840 -9.467 1.00 0.00 C ATOM 902 CG LYS A 61 6.634 -15.057 -9.562 1.00 0.00 C ATOM 903 CD LYS A 61 7.249 -14.275 -10.733 1.00 0.00 C ATOM 904 CE LYS A 61 7.399 -15.129 -12.000 1.00 0.00 C ATOM 905 NZ LYS A 61 6.113 -15.670 -12.472 1.00 0.00 N ATOM 0 H LYS A 61 2.736 -14.893 -7.696 1.00 0.00 H new ATOM 0 HA LYS A 61 4.612 -16.813 -8.849 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.675 -14.962 -10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.920 -13.814 -9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.105 -14.746 -8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.842 -16.120 -9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.625 -13.409 -10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.227 -13.895 -10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.847 -14.526 -12.790 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.084 -15.953 -11.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.259 -16.182 -13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.728 -16.322 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.443 -14.889 -12.625 1.00 0.00 H new ATOM 919 N LYS A 62 5.119 -16.843 -6.444 1.00 0.00 N ATOM 920 CA LYS A 62 5.760 -17.000 -5.151 1.00 0.00 C ATOM 921 C LYS A 62 7.250 -16.670 -5.274 1.00 0.00 C ATOM 922 O LYS A 62 7.895 -17.113 -6.223 1.00 0.00 O ATOM 923 CB LYS A 62 5.543 -18.448 -4.692 1.00 0.00 C ATOM 924 CG LYS A 62 5.885 -18.671 -3.213 1.00 0.00 C ATOM 925 CD LYS A 62 6.913 -19.792 -3.002 1.00 0.00 C ATOM 926 CE LYS A 62 8.315 -19.385 -3.470 1.00 0.00 C ATOM 927 NZ LYS A 62 9.296 -20.452 -3.206 1.00 0.00 N ATOM 0 H LYS A 62 4.753 -17.718 -6.819 1.00 0.00 H new ATOM 0 HA LYS A 62 5.332 -16.320 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.503 -18.725 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.154 -19.112 -5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.273 -17.744 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.973 -18.913 -2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.947 -20.058 -1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.594 -20.682 -3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.295 -19.162 -4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.621 -18.472 -2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.235 -20.149 -3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.331 -20.647 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.015 -21.315 -3.713 1.00 0.00 H new ATOM 941 N VAL A 63 7.800 -15.924 -4.312 1.00 0.00 N ATOM 942 CA VAL A 63 9.226 -15.671 -4.183 1.00 0.00 C ATOM 943 C VAL A 63 9.590 -15.658 -2.698 1.00 0.00 C ATOM 944 O VAL A 63 8.781 -15.288 -1.848 1.00 0.00 O ATOM 945 CB VAL A 63 9.639 -14.354 -4.868 1.00 0.00 C ATOM 946 CG1 VAL A 63 9.445 -14.412 -6.387 1.00 0.00 C ATOM 947 CG2 VAL A 63 8.893 -13.128 -4.325 1.00 0.00 C ATOM 0 H VAL A 63 7.246 -15.470 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 63 9.774 -16.466 -4.688 1.00 0.00 H new ATOM 0 HB VAL A 63 10.698 -14.242 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.748 -13.463 -6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.053 -15.216 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.395 -14.598 -6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.231 -12.235 -4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.822 -13.256 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.096 -13.021 -3.259 1.00 0.00 H new ATOM 957 N THR A 64 10.816 -16.056 -2.371 1.00 0.00 N ATOM 958 CA THR A 64 11.331 -15.921 -1.021 1.00 0.00 C ATOM 959 C THR A 64 11.426 -14.429 -0.701 1.00 0.00 C ATOM 960 O THR A 64 12.007 -13.679 -1.485 1.00 0.00 O ATOM 961 CB THR A 64 12.705 -16.597 -0.947 1.00 0.00 C ATOM 962 OG1 THR A 64 12.694 -17.780 -1.724 1.00 0.00 O ATOM 963 CG2 THR A 64 13.088 -16.937 0.496 1.00 0.00 C ATOM 0 H THR A 64 11.471 -16.476 -3.030 1.00 0.00 H new ATOM 0 HA THR A 64 10.677 -16.400 -0.292 1.00 0.00 H new ATOM 0 HB THR A 64 13.445 -15.899 -1.338 1.00 0.00 H new ATOM 0 HG1 THR A 64 13.573 -18.210 -1.677 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.068 -17.415 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.122 -16.023 1.088 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.347 -17.616 0.919 1.00 0.00 H new ATOM 971 N CYS A 65 10.868 -13.974 0.425 1.00 0.00 N ATOM 972 CA CYS A 65 11.101 -12.607 0.854 1.00 0.00 C ATOM 973 C CYS A 65 12.587 -12.429 1.140 1.00 0.00 C ATOM 974 O CYS A 65 13.269 -13.393 1.497 1.00 0.00 O ATOM 975 CB CYS A 65 10.338 -12.311 2.142 1.00 0.00 C ATOM 976 SG CYS A 65 8.529 -12.352 2.082 1.00 0.00 S ATOM 0 H CYS A 65 10.266 -14.524 1.038 1.00 0.00 H new ATOM 0 HA CYS A 65 10.764 -11.932 0.067 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.664 -13.027 2.896 1.00 0.00 H new ATOM 0 HB3 CYS A 65 10.639 -11.323 2.490 1.00 0.00 H new ATOM 981 N LYS A 66 13.069 -11.184 1.084 1.00 0.00 N ATOM 982 CA LYS A 66 14.406 -10.811 1.534 1.00 0.00 C ATOM 983 C LYS A 66 14.425 -10.795 3.067 1.00 0.00 C ATOM 984 O LYS A 66 14.622 -9.765 3.705 1.00 0.00 O ATOM 985 CB LYS A 66 14.790 -9.452 0.940 1.00 0.00 C ATOM 986 CG LYS A 66 14.866 -9.514 -0.592 1.00 0.00 C ATOM 987 CD LYS A 66 15.341 -8.171 -1.159 1.00 0.00 C ATOM 988 CE LYS A 66 15.477 -8.256 -2.683 1.00 0.00 C ATOM 989 NZ LYS A 66 15.956 -6.984 -3.252 1.00 0.00 N ATOM 0 H LYS A 66 12.531 -10.398 0.719 1.00 0.00 H new ATOM 0 HA LYS A 66 15.144 -11.536 1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.058 -8.702 1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 66 15.753 -9.136 1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 66 15.549 -10.307 -0.897 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.887 -9.763 -1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.633 -7.386 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 66 16.299 -7.900 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.169 -9.057 -2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.513 -8.513 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.037 -7.075 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.282 -6.226 -3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.887 -6.753 -2.850 1.00 0.00 H new ATOM 1003 N ASP A 67 14.165 -11.969 3.636 1.00 0.00 N ATOM 1004 CA ASP A 67 13.947 -12.219 5.051 1.00 0.00 C ATOM 1005 C ASP A 67 14.169 -13.704 5.337 1.00 0.00 C ATOM 1006 O ASP A 67 14.728 -14.057 6.370 1.00 0.00 O ATOM 1007 CB ASP A 67 12.531 -11.789 5.457 1.00 0.00 C ATOM 1008 CG ASP A 67 12.534 -10.649 6.471 1.00 0.00 C ATOM 1009 OD1 ASP A 67 12.966 -10.910 7.615 1.00 0.00 O ATOM 1010 OD2 ASP A 67 12.080 -9.549 6.092 1.00 0.00 O ATOM 0 H ASP A 67 14.097 -12.823 3.083 1.00 0.00 H new ATOM 0 HA ASP A 67 14.654 -11.634 5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.980 -11.479 4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.002 -12.644 5.878 1.00 0.00 H new ATOM 1015 N GLY A 68 13.713 -14.577 4.429 1.00 0.00 N ATOM 1016 CA GLY A 68 13.809 -16.019 4.618 1.00 0.00 C ATOM 1017 C GLY A 68 13.023 -16.458 5.853 1.00 0.00 C ATOM 1018 O GLY A 68 13.471 -17.312 6.613 1.00 0.00 O ATOM 0 H GLY A 68 13.272 -14.301 3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.426 -16.532 3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.855 -16.307 4.725 1.00 0.00 H new ATOM 1022 N GLN A 69 11.842 -15.862 6.038 1.00 0.00 N ATOM 1023 CA GLN A 69 10.946 -16.119 7.153 1.00 0.00 C ATOM 1024 C GLN A 69 9.523 -16.042 6.613 1.00 0.00 C ATOM 1025 O GLN A 69 8.804 -17.037 6.571 1.00 0.00 O ATOM 1026 CB GLN A 69 11.214 -15.083 8.253 1.00 0.00 C ATOM 1027 CG GLN A 69 10.341 -15.328 9.490 1.00 0.00 C ATOM 1028 CD GLN A 69 10.651 -14.342 10.611 1.00 0.00 C ATOM 1029 OE1 GLN A 69 11.039 -14.736 11.705 1.00 0.00 O ATOM 1030 NE2 GLN A 69 10.478 -13.048 10.357 1.00 0.00 N ATOM 0 H GLN A 69 11.477 -15.164 5.390 1.00 0.00 H new ATOM 0 HA GLN A 69 11.102 -17.103 7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.266 -15.118 8.537 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.022 -14.083 7.865 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.290 -15.245 9.214 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.497 -16.345 9.848 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.154 -12.748 9.438 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.669 -12.356 11.082 1.00 0.00 H new ATOM 1039 N THR A 70 9.128 -14.851 6.167 1.00 0.00 N ATOM 1040 CA THR A 70 7.931 -14.637 5.403 1.00 0.00 C ATOM 1041 C THR A 70 8.170 -15.183 3.993 1.00 0.00 C ATOM 1042 O THR A 70 9.309 -15.336 3.544 1.00 0.00 O ATOM 1043 CB THR A 70 7.659 -13.128 5.403 1.00 0.00 C ATOM 1044 OG1 THR A 70 8.895 -12.439 5.296 1.00 0.00 O ATOM 1045 CG2 THR A 70 6.988 -12.704 6.712 1.00 0.00 C ATOM 0 H THR A 70 9.655 -13.995 6.339 1.00 0.00 H new ATOM 0 HA THR A 70 7.063 -15.148 5.819 1.00 0.00 H new ATOM 0 HB THR A 70 7.004 -12.890 4.565 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.039 -12.168 4.365 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.802 -11.630 6.695 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.042 -13.234 6.824 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.641 -12.946 7.551 1.00 0.00 H new ATOM 1053 N ASN A 71 7.069 -15.467 3.306 1.00 0.00 N ATOM 1054 CA ASN A 71 7.024 -15.955 1.942 1.00 0.00 C ATOM 1055 C ASN A 71 6.314 -14.877 1.137 1.00 0.00 C ATOM 1056 O ASN A 71 5.239 -14.427 1.534 1.00 0.00 O ATOM 1057 CB ASN A 71 6.256 -17.277 1.899 1.00 0.00 C ATOM 1058 CG ASN A 71 6.379 -17.948 0.537 1.00 0.00 C ATOM 1059 OD1 ASN A 71 5.293 -18.502 0.018 1.00 0.00 O flip ATOM 1060 ND2 ASN A 71 7.458 -17.996 -0.046 1.00 0.00 N flip ATOM 0 H ASN A 71 6.139 -15.356 3.710 1.00 0.00 H new ATOM 0 HA ASN A 71 8.017 -16.147 1.536 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.636 -17.946 2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.205 -17.096 2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.282 -17.563 0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.530 -18.469 -0.947 1.00 0.00 H new ATOM 1067 N CYS A 72 6.955 -14.406 0.072 1.00 0.00 N ATOM 1068 CA CYS A 72 6.525 -13.241 -0.683 1.00 0.00 C ATOM 1069 C CYS A 72 5.912 -13.682 -2.004 1.00 0.00 C ATOM 1070 O CYS A 72 6.043 -14.836 -2.411 1.00 0.00 O ATOM 1071 CB CYS A 72 7.697 -12.270 -0.885 1.00 0.00 C ATOM 1072 SG CYS A 72 7.981 -11.129 0.489 1.00 0.00 S ATOM 0 H CYS A 72 7.805 -14.834 -0.295 1.00 0.00 H new ATOM 0 HA CYS A 72 5.759 -12.705 -0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 72 8.605 -12.849 -1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 72 7.518 -11.689 -1.790 1.00 0.00 H new ATOM 1077 N TYR A 73 5.199 -12.766 -2.655 1.00 0.00 N ATOM 1078 CA TYR A 73 4.463 -13.022 -3.876 1.00 0.00 C ATOM 1079 C TYR A 73 4.527 -11.760 -4.738 1.00 0.00 C ATOM 1080 O TYR A 73 4.026 -10.709 -4.332 1.00 0.00 O ATOM 1081 CB TYR A 73 3.024 -13.435 -3.543 1.00 0.00 C ATOM 1082 CG TYR A 73 2.924 -14.675 -2.672 1.00 0.00 C ATOM 1083 CD1 TYR A 73 2.970 -14.561 -1.270 1.00 0.00 C ATOM 1084 CD2 TYR A 73 2.858 -15.950 -3.261 1.00 0.00 C ATOM 1085 CE1 TYR A 73 2.916 -15.710 -0.465 1.00 0.00 C ATOM 1086 CE2 TYR A 73 2.728 -17.094 -2.455 1.00 0.00 C ATOM 1087 CZ TYR A 73 2.728 -16.967 -1.056 1.00 0.00 C ATOM 1088 OH TYR A 73 2.583 -18.070 -0.264 1.00 0.00 O ATOM 0 H TYR A 73 5.119 -11.801 -2.334 1.00 0.00 H new ATOM 0 HA TYR A 73 4.901 -13.848 -4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.527 -12.607 -3.037 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.483 -13.612 -4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.047 -13.586 -0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.907 -16.050 -4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.019 -15.626 0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.628 -18.068 -2.910 1.00 0.00 H new ATOM 0 HH TYR A 73 3.467 -18.419 -0.024 1.00 0.00 H new ATOM 1098 N GLN A 74 5.213 -11.845 -5.880 1.00 0.00 N ATOM 1099 CA GLN A 74 5.307 -10.755 -6.839 1.00 0.00 C ATOM 1100 C GLN A 74 4.035 -10.630 -7.659 1.00 0.00 C ATOM 1101 O GLN A 74 3.394 -11.622 -8.006 1.00 0.00 O ATOM 1102 CB GLN A 74 6.540 -10.937 -7.729 1.00 0.00 C ATOM 1103 CG GLN A 74 6.549 -10.113 -9.025 1.00 0.00 C ATOM 1104 CD GLN A 74 7.900 -10.202 -9.722 1.00 0.00 C ATOM 1105 OE1 GLN A 74 8.087 -11.004 -10.631 1.00 0.00 O ATOM 1106 NE2 GLN A 74 8.862 -9.386 -9.299 1.00 0.00 N ATOM 0 H GLN A 74 5.722 -12.683 -6.163 1.00 0.00 H new ATOM 0 HA GLN A 74 5.423 -9.821 -6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.426 -10.679 -7.149 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.626 -11.992 -7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.767 -10.473 -9.694 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.321 -9.071 -8.799 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.677 -8.729 -8.541 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.785 -9.417 -9.733 1.00 0.00 H new ATOM 1115 N SER A 75 3.724 -9.391 -8.027 1.00 0.00 N ATOM 1116 CA SER A 75 2.699 -9.103 -9.010 1.00 0.00 C ATOM 1117 C SER A 75 3.315 -9.224 -10.401 1.00 0.00 C ATOM 1118 O SER A 75 4.239 -8.485 -10.737 1.00 0.00 O ATOM 1119 CB SER A 75 2.070 -7.724 -8.776 1.00 0.00 C ATOM 1120 OG SER A 75 3.000 -6.682 -8.990 1.00 0.00 O ATOM 0 H SER A 75 4.180 -8.561 -7.648 1.00 0.00 H new ATOM 0 HA SER A 75 1.886 -9.823 -8.917 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.218 -7.594 -9.444 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.687 -7.667 -7.757 1.00 0.00 H new ATOM 0 HG SER A 75 3.123 -6.546 -9.953 1.00 0.00 H new ATOM 1126 N LYS A 76 2.806 -10.154 -11.211 1.00 0.00 N ATOM 1127 CA LYS A 76 3.136 -10.190 -12.628 1.00 0.00 C ATOM 1128 C LYS A 76 2.617 -8.920 -13.296 1.00 0.00 C ATOM 1129 O LYS A 76 3.220 -8.417 -14.241 1.00 0.00 O ATOM 1130 CB LYS A 76 2.577 -11.477 -13.253 1.00 0.00 C ATOM 1131 CG LYS A 76 3.155 -11.736 -14.649 1.00 0.00 C ATOM 1132 CD LYS A 76 2.631 -13.070 -15.195 1.00 0.00 C ATOM 1133 CE LYS A 76 3.282 -13.384 -16.545 1.00 0.00 C ATOM 1134 NZ LYS A 76 2.790 -14.659 -17.094 1.00 0.00 N ATOM 0 H LYS A 76 2.166 -10.888 -10.907 1.00 0.00 H new ATOM 0 HA LYS A 76 4.215 -10.212 -12.778 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.804 -12.323 -12.604 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.491 -11.407 -13.318 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.879 -10.924 -15.322 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.244 -11.755 -14.603 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.844 -13.870 -14.486 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.548 -13.024 -15.308 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.072 -12.578 -17.248 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.365 -13.430 -16.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.250 -14.844 -18.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.012 -15.430 -16.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.760 -14.605 -17.229 1.00 0.00 H new ATOM 1148 N SER A 77 1.504 -8.395 -12.788 1.00 0.00 N ATOM 1149 CA SER A 77 0.997 -7.103 -13.157 1.00 0.00 C ATOM 1150 C SER A 77 1.842 -5.984 -12.540 1.00 0.00 C ATOM 1151 O SER A 77 2.633 -6.195 -11.620 1.00 0.00 O ATOM 1152 CB SER A 77 -0.468 -7.041 -12.695 1.00 0.00 C ATOM 1153 OG SER A 77 -0.617 -7.751 -11.471 1.00 0.00 O ATOM 0 H SER A 77 0.929 -8.876 -12.096 1.00 0.00 H new ATOM 0 HA SER A 77 1.051 -6.958 -14.236 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.774 -6.003 -12.564 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.118 -7.471 -13.457 1.00 0.00 H new ATOM 0 HG SER A 77 -1.568 -7.812 -11.242 1.00 0.00 H new ATOM 1159 N THR A 78 1.643 -4.778 -13.057 1.00 0.00 N ATOM 1160 CA THR A 78 2.142 -3.517 -12.537 1.00 0.00 C ATOM 1161 C THR A 78 0.907 -2.628 -12.396 1.00 0.00 C ATOM 1162 O THR A 78 -0.093 -2.878 -13.071 1.00 0.00 O ATOM 1163 CB THR A 78 3.126 -2.921 -13.561 1.00 0.00 C ATOM 1164 OG1 THR A 78 2.509 -2.838 -14.830 1.00 0.00 O ATOM 1165 CG2 THR A 78 4.381 -3.785 -13.718 1.00 0.00 C ATOM 0 H THR A 78 1.092 -4.650 -13.906 1.00 0.00 H new ATOM 0 HA THR A 78 2.666 -3.620 -11.587 1.00 0.00 H new ATOM 0 HB THR A 78 3.409 -1.936 -13.191 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.140 -2.457 -15.476 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.048 -3.328 -14.449 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.892 -3.861 -12.758 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.097 -4.781 -14.058 1.00 0.00 H new ATOM 1173 N MET A 79 0.949 -1.612 -11.533 1.00 0.00 N ATOM 1174 CA MET A 79 -0.168 -0.692 -11.384 1.00 0.00 C ATOM 1175 C MET A 79 0.342 0.636 -10.839 1.00 0.00 C ATOM 1176 O MET A 79 1.442 0.690 -10.287 1.00 0.00 O ATOM 1177 CB MET A 79 -1.226 -1.312 -10.464 1.00 0.00 C ATOM 1178 CG MET A 79 -2.644 -0.752 -10.651 1.00 0.00 C ATOM 1179 SD MET A 79 -3.479 -1.140 -12.215 1.00 0.00 S ATOM 1180 CE MET A 79 -3.315 0.417 -13.117 1.00 0.00 C ATOM 0 H MET A 79 1.746 -1.410 -10.929 1.00 0.00 H new ATOM 0 HA MET A 79 -0.634 -0.505 -12.351 1.00 0.00 H new ATOM 0 HB2 MET A 79 -1.250 -2.389 -10.633 1.00 0.00 H new ATOM 0 HB3 MET A 79 -0.923 -1.159 -9.428 1.00 0.00 H new ATOM 0 HG2 MET A 79 -3.265 -1.120 -9.834 1.00 0.00 H new ATOM 0 HG3 MET A 79 -2.597 0.332 -10.551 1.00 0.00 H new ATOM 0 HE1 MET A 79 -4.011 0.426 -13.956 1.00 0.00 H new ATOM 0 HE2 MET A 79 -3.540 1.249 -12.450 1.00 0.00 H new ATOM 0 HE3 MET A 79 -2.296 0.516 -13.490 1.00 0.00 H new ATOM 1190 N ARG A 80 -0.461 1.691 -11.015 1.00 0.00 N ATOM 1191 CA ARG A 80 -0.201 3.023 -10.491 1.00 0.00 C ATOM 1192 C ARG A 80 -0.224 3.012 -8.961 1.00 0.00 C ATOM 1193 O ARG A 80 -1.251 3.288 -8.341 1.00 0.00 O ATOM 1194 CB ARG A 80 -1.192 4.041 -11.079 1.00 0.00 C ATOM 1195 CG ARG A 80 -2.675 3.670 -10.912 1.00 0.00 C ATOM 1196 CD ARG A 80 -3.444 4.848 -10.307 1.00 0.00 C ATOM 1197 NE ARG A 80 -4.847 4.494 -10.075 1.00 0.00 N ATOM 1198 CZ ARG A 80 -5.724 5.273 -9.428 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -5.375 6.505 -9.043 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -6.943 4.791 -9.173 1.00 0.00 N ATOM 0 H ARG A 80 -1.333 1.633 -11.542 1.00 0.00 H new ATOM 0 HA ARG A 80 0.798 3.334 -10.798 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -1.019 5.009 -10.608 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.980 4.161 -12.141 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.103 3.403 -11.878 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.769 2.795 -10.269 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.980 5.146 -9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.387 5.706 -10.976 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.177 3.596 -10.429 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.438 6.855 -9.242 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.046 7.095 -8.551 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.190 3.847 -9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.627 5.367 -8.682 1.00 0.00 H new ATOM 1214 N ILE A 81 0.912 2.696 -8.342 1.00 0.00 N ATOM 1215 CA ILE A 81 1.058 2.825 -6.915 1.00 0.00 C ATOM 1216 C ILE A 81 1.424 4.273 -6.612 1.00 0.00 C ATOM 1217 O ILE A 81 2.287 4.848 -7.276 1.00 0.00 O ATOM 1218 CB ILE A 81 2.074 1.811 -6.377 1.00 0.00 C ATOM 1219 CG1 ILE A 81 3.511 2.003 -6.892 1.00 0.00 C ATOM 1220 CG2 ILE A 81 1.575 0.392 -6.678 1.00 0.00 C ATOM 1221 CD1 ILE A 81 4.497 1.038 -6.234 1.00 0.00 C ATOM 0 H ILE A 81 1.743 2.348 -8.820 1.00 0.00 H new ATOM 0 HA ILE A 81 0.125 2.593 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 81 2.140 1.980 -5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.530 1.858 -7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.828 3.028 -6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.293 -0.335 -6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.610 0.235 -6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.466 0.265 -7.755 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.497 1.213 -6.631 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.501 1.200 -5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.197 0.012 -6.445 1.00 0.00 H new ATOM 1233 N THR A 82 0.754 4.855 -5.621 1.00 0.00 N ATOM 1234 CA THR A 82 1.035 6.199 -5.153 1.00 0.00 C ATOM 1235 C THR A 82 1.750 6.072 -3.812 1.00 0.00 C ATOM 1236 O THR A 82 1.109 6.002 -2.763 1.00 0.00 O ATOM 1237 CB THR A 82 -0.259 7.021 -5.129 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.823 7.040 -6.427 1.00 0.00 O ATOM 1239 CG2 THR A 82 -0.009 8.462 -4.684 1.00 0.00 C ATOM 0 H THR A 82 -0.006 4.397 -5.118 1.00 0.00 H new ATOM 0 HA THR A 82 1.698 6.751 -5.820 1.00 0.00 H new ATOM 0 HB THR A 82 -0.937 6.554 -4.415 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.652 7.563 -6.416 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.951 9.010 -4.681 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.416 8.464 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.687 8.940 -5.373 1.00 0.00 H new ATOM 1247 N ASP A 83 3.086 5.998 -3.855 1.00 0.00 N ATOM 1248 CA ASP A 83 3.894 6.009 -2.646 1.00 0.00 C ATOM 1249 C ASP A 83 3.766 7.364 -1.983 1.00 0.00 C ATOM 1250 O ASP A 83 3.713 8.362 -2.694 1.00 0.00 O ATOM 1251 CB ASP A 83 5.363 5.683 -2.923 1.00 0.00 C ATOM 1252 CG ASP A 83 6.118 5.438 -1.619 1.00 0.00 C ATOM 1253 OD1 ASP A 83 5.691 4.521 -0.885 1.00 0.00 O ATOM 1254 OD2 ASP A 83 7.098 6.174 -1.375 1.00 0.00 O ATOM 0 H ASP A 83 3.624 5.930 -4.719 1.00 0.00 H new ATOM 0 HA ASP A 83 3.524 5.229 -1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.431 4.801 -3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.826 6.505 -3.468 1.00 0.00 H new ATOM 1259 N CYS A 84 3.709 7.413 -0.654 1.00 0.00 N ATOM 1260 CA CYS A 84 3.665 8.667 0.072 1.00 0.00 C ATOM 1261 C CYS A 84 4.635 8.639 1.250 1.00 0.00 C ATOM 1262 O CYS A 84 4.687 7.638 1.962 1.00 0.00 O ATOM 1263 CB CYS A 84 2.230 9.026 0.445 1.00 0.00 C ATOM 1264 SG CYS A 84 2.028 10.808 0.608 1.00 0.00 S ATOM 0 H CYS A 84 3.692 6.585 -0.058 1.00 0.00 H new ATOM 0 HA CYS A 84 4.008 9.477 -0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.548 8.648 -0.316 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.962 8.539 1.383 1.00 0.00 H new ATOM 1269 N ARG A 85 5.436 9.697 1.434 1.00 0.00 N ATOM 1270 CA ARG A 85 6.598 9.665 2.318 1.00 0.00 C ATOM 1271 C ARG A 85 6.789 11.041 2.942 1.00 0.00 C ATOM 1272 O ARG A 85 6.738 12.023 2.215 1.00 0.00 O ATOM 1273 CB ARG A 85 7.828 9.339 1.455 1.00 0.00 C ATOM 1274 CG ARG A 85 8.757 8.274 2.052 1.00 0.00 C ATOM 1275 CD ARG A 85 9.571 8.777 3.248 1.00 0.00 C ATOM 1276 NE ARG A 85 10.475 9.864 2.858 1.00 0.00 N ATOM 1277 CZ ARG A 85 11.406 10.407 3.654 1.00 0.00 C ATOM 1278 NH1 ARG A 85 11.570 9.969 4.905 1.00 0.00 N ATOM 1279 NH2 ARG A 85 12.177 11.391 3.186 1.00 0.00 N ATOM 0 H ARG A 85 5.293 10.596 0.973 1.00 0.00 H new ATOM 0 HA ARG A 85 6.463 8.923 3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.490 9.001 0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.399 10.254 1.297 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.161 7.416 2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.440 7.924 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.896 9.125 4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.149 7.954 3.669 1.00 0.00 H new ATOM 0 HE ARG A 85 10.389 10.234 1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.984 9.215 5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.282 10.389 5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.055 11.724 2.230 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.888 11.810 3.785 1.00 0.00 H new ATOM 1293 N GLU A 86 7.023 11.138 4.250 1.00 0.00 N ATOM 1294 CA GLU A 86 7.273 12.405 4.925 1.00 0.00 C ATOM 1295 C GLU A 86 8.268 13.297 4.161 1.00 0.00 C ATOM 1296 O GLU A 86 9.464 13.023 4.144 1.00 0.00 O ATOM 1297 CB GLU A 86 7.682 12.158 6.386 1.00 0.00 C ATOM 1298 CG GLU A 86 8.857 11.185 6.571 1.00 0.00 C ATOM 1299 CD GLU A 86 9.219 10.963 8.035 1.00 0.00 C ATOM 1300 OE1 GLU A 86 8.526 11.543 8.900 1.00 0.00 O ATOM 1301 OE2 GLU A 86 10.182 10.199 8.260 1.00 0.00 O ATOM 0 H GLU A 86 7.044 10.331 4.874 1.00 0.00 H new ATOM 0 HA GLU A 86 6.342 12.971 4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.944 13.113 6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.820 11.772 6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.604 10.228 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.728 11.570 6.041 1.00 0.00 H new ATOM 1308 N THR A 87 7.779 14.383 3.545 1.00 0.00 N ATOM 1309 CA THR A 87 8.577 15.361 2.814 1.00 0.00 C ATOM 1310 C THR A 87 9.864 15.767 3.540 1.00 0.00 C ATOM 1311 O THR A 87 10.900 15.974 2.913 1.00 0.00 O ATOM 1312 CB THR A 87 7.688 16.589 2.562 1.00 0.00 C ATOM 1313 OG1 THR A 87 6.350 16.170 2.365 1.00 0.00 O ATOM 1314 CG2 THR A 87 8.163 17.393 1.348 1.00 0.00 C ATOM 0 H THR A 87 6.784 14.606 3.546 1.00 0.00 H new ATOM 0 HA THR A 87 8.906 14.907 1.879 1.00 0.00 H new ATOM 0 HB THR A 87 7.752 17.238 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.782 16.953 2.206 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.509 18.253 1.203 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.183 17.737 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.135 16.762 0.460 1.00 0.00 H new ATOM 1322 N GLY A 88 9.769 15.918 4.861 1.00 0.00 N ATOM 1323 CA GLY A 88 10.856 16.335 5.734 1.00 0.00 C ATOM 1324 C GLY A 88 10.278 17.152 6.884 1.00 0.00 C ATOM 1325 O GLY A 88 10.389 16.772 8.044 1.00 0.00 O ATOM 0 H GLY A 88 8.900 15.746 5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.386 15.464 6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.581 16.928 5.177 1.00 0.00 H new ATOM 1329 N SER A 89 9.599 18.251 6.545 1.00 0.00 N ATOM 1330 CA SER A 89 8.974 19.177 7.479 1.00 0.00 C ATOM 1331 C SER A 89 7.936 18.519 8.397 1.00 0.00 C ATOM 1332 O SER A 89 7.586 19.088 9.426 1.00 0.00 O ATOM 1333 CB SER A 89 8.317 20.288 6.650 1.00 0.00 C ATOM 1334 OG SER A 89 9.050 20.486 5.450 1.00 0.00 O ATOM 0 H SER A 89 9.467 18.527 5.572 1.00 0.00 H new ATOM 0 HA SER A 89 9.745 19.566 8.144 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.286 20.021 6.418 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.285 21.214 7.225 1.00 0.00 H new ATOM 0 HG SER A 89 8.627 21.195 4.922 1.00 0.00 H new ATOM 1340 N SER A 90 7.402 17.367 7.974 1.00 0.00 N ATOM 1341 CA SER A 90 6.319 16.629 8.608 1.00 0.00 C ATOM 1342 C SER A 90 6.443 16.562 10.136 1.00 0.00 C ATOM 1343 O SER A 90 7.272 15.809 10.645 1.00 0.00 O ATOM 1344 CB SER A 90 6.311 15.209 8.017 1.00 0.00 C ATOM 1345 OG SER A 90 5.058 14.574 8.179 1.00 0.00 O ATOM 0 H SER A 90 7.739 16.903 7.130 1.00 0.00 H new ATOM 0 HA SER A 90 5.385 17.153 8.407 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.559 15.256 6.957 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.085 14.612 8.499 1.00 0.00 H new ATOM 0 HG SER A 90 5.094 13.676 7.789 1.00 0.00 H new ATOM 1351 N LYS A 91 5.611 17.311 10.869 1.00 0.00 N ATOM 1352 CA LYS A 91 5.583 17.292 12.327 1.00 0.00 C ATOM 1353 C LYS A 91 4.175 17.628 12.820 1.00 0.00 C ATOM 1354 O LYS A 91 3.664 18.707 12.527 1.00 0.00 O ATOM 1355 CB LYS A 91 6.597 18.298 12.890 1.00 0.00 C ATOM 1356 CG LYS A 91 8.050 17.827 12.717 1.00 0.00 C ATOM 1357 CD LYS A 91 9.054 18.536 13.640 1.00 0.00 C ATOM 1358 CE LYS A 91 9.453 19.942 13.175 1.00 0.00 C ATOM 1359 NZ LYS A 91 8.366 20.924 13.326 1.00 0.00 N ATOM 0 H LYS A 91 4.933 17.952 10.457 1.00 0.00 H new ATOM 0 HA LYS A 91 5.854 16.295 12.676 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.468 19.258 12.390 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.394 18.460 13.949 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.097 16.754 12.903 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.351 17.985 11.681 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.625 18.604 14.640 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.952 17.924 13.720 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.320 20.276 13.746 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.757 19.901 12.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.770 21.860 13.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.815 20.970 12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.744 20.636 14.108 1.00 0.00 H new ATOM 1373 N TYR A 92 3.553 16.707 13.565 1.00 0.00 N ATOM 1374 CA TYR A 92 2.203 16.855 14.103 1.00 0.00 C ATOM 1375 C TYR A 92 1.984 18.225 14.762 1.00 0.00 C ATOM 1376 O TYR A 92 2.847 18.664 15.521 1.00 0.00 O ATOM 1377 CB TYR A 92 1.914 15.722 15.100 1.00 0.00 C ATOM 1378 CG TYR A 92 0.454 15.325 15.194 1.00 0.00 C ATOM 1379 CD1 TYR A 92 -0.120 14.527 14.191 1.00 0.00 C ATOM 1380 CD2 TYR A 92 -0.340 15.772 16.267 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -1.456 14.105 14.298 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -1.688 15.380 16.357 1.00 0.00 C ATOM 1383 CZ TYR A 92 -2.239 14.525 15.385 1.00 0.00 C ATOM 1384 OH TYR A 92 -3.537 14.119 15.479 1.00 0.00 O ATOM 0 H TYR A 92 3.988 15.819 13.814 1.00 0.00 H new ATOM 0 HA TYR A 92 1.505 16.792 13.268 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.498 14.847 14.815 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.259 16.028 16.088 1.00 0.00 H new ATOM 0 HD1 TYR A 92 0.468 14.236 13.333 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.086 16.416 17.022 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.880 13.458 13.545 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.300 15.736 17.173 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.940 14.496 16.289 1.00 0.00 H new ATOM 1394 N PRO A 93 0.856 18.911 14.509 1.00 0.00 N ATOM 1395 CA PRO A 93 -0.263 18.498 13.667 1.00 0.00 C ATOM 1396 C PRO A 93 0.086 18.531 12.176 1.00 0.00 C ATOM 1397 O PRO A 93 -0.507 17.799 11.386 1.00 0.00 O ATOM 1398 CB PRO A 93 -1.387 19.489 13.981 1.00 0.00 C ATOM 1399 CG PRO A 93 -0.633 20.763 14.357 1.00 0.00 C ATOM 1400 CD PRO A 93 0.596 20.221 15.085 1.00 0.00 C ATOM 0 HA PRO A 93 -0.545 17.466 13.875 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.038 19.645 13.121 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.017 19.138 14.798 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.359 21.346 13.478 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.229 21.413 14.997 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.452 20.883 14.952 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.414 20.147 16.157 1.00 0.00 H new ATOM 1408 N ASN A 94 1.069 19.346 11.789 1.00 0.00 N ATOM 1409 CA ASN A 94 1.443 19.555 10.398 1.00 0.00 C ATOM 1410 C ASN A 94 2.342 18.417 9.918 1.00 0.00 C ATOM 1411 O ASN A 94 3.463 18.645 9.460 1.00 0.00 O ATOM 1412 CB ASN A 94 2.130 20.921 10.224 1.00 0.00 C ATOM 1413 CG ASN A 94 1.199 22.112 10.448 1.00 0.00 C ATOM 1414 OD1 ASN A 94 0.027 21.964 10.777 1.00 0.00 O ATOM 1415 ND2 ASN A 94 1.717 23.323 10.264 1.00 0.00 N ATOM 0 H ASN A 94 1.633 19.885 12.446 1.00 0.00 H new ATOM 0 HA ASN A 94 0.541 19.556 9.786 1.00 0.00 H new ATOM 0 HB2 ASN A 94 2.965 20.989 10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 94 2.548 20.982 9.219 1.00 0.00 H new ATOM 0 HD21 ASN A 94 1.137 24.151 10.397 1.00 0.00 H new ATOM 0 HD22 ASN A 94 2.694 23.423 9.990 1.00 0.00 H new ATOM 1422 N CYS A 95 1.862 17.175 10.016 1.00 0.00 N ATOM 1423 CA CYS A 95 2.509 16.099 9.281 1.00 0.00 C ATOM 1424 C CYS A 95 2.172 16.352 7.813 1.00 0.00 C ATOM 1425 O CYS A 95 1.070 16.812 7.521 1.00 0.00 O ATOM 1426 CB CYS A 95 2.088 14.700 9.741 1.00 0.00 C ATOM 1427 SG CYS A 95 2.638 14.263 11.409 1.00 0.00 S ATOM 0 H CYS A 95 1.056 16.900 10.577 1.00 0.00 H new ATOM 0 HA CYS A 95 3.584 16.108 9.459 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.001 14.629 9.700 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.482 13.966 9.038 1.00 0.00 H new ATOM 1432 N ALA A 96 3.111 16.110 6.901 1.00 0.00 N ATOM 1433 CA ALA A 96 2.989 16.402 5.481 1.00 0.00 C ATOM 1434 C ALA A 96 3.842 15.387 4.733 1.00 0.00 C ATOM 1435 O ALA A 96 4.866 14.954 5.258 1.00 0.00 O ATOM 1436 CB ALA A 96 3.460 17.830 5.197 1.00 0.00 C ATOM 0 H ALA A 96 4.009 15.690 7.143 1.00 0.00 H new ATOM 0 HA ALA A 96 1.951 16.330 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.365 18.039 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.848 18.534 5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.503 17.935 5.496 1.00 0.00 H new ATOM 1442 N TYR A 97 3.414 14.973 3.540 1.00 0.00 N ATOM 1443 CA TYR A 97 4.007 13.831 2.866 1.00 0.00 C ATOM 1444 C TYR A 97 4.176 14.107 1.379 1.00 0.00 C ATOM 1445 O TYR A 97 3.230 14.534 0.719 1.00 0.00 O ATOM 1446 CB TYR A 97 3.109 12.615 3.077 1.00 0.00 C ATOM 1447 CG TYR A 97 2.666 12.376 4.503 1.00 0.00 C ATOM 1448 CD1 TYR A 97 3.552 11.836 5.452 1.00 0.00 C ATOM 1449 CD2 TYR A 97 1.365 12.740 4.886 1.00 0.00 C ATOM 1450 CE1 TYR A 97 3.144 11.696 6.788 1.00 0.00 C ATOM 1451 CE2 TYR A 97 0.941 12.552 6.209 1.00 0.00 C ATOM 1452 CZ TYR A 97 1.818 11.985 7.148 1.00 0.00 C ATOM 1453 OH TYR A 97 1.358 11.672 8.387 1.00 0.00 O ATOM 0 H TYR A 97 2.655 15.418 3.023 1.00 0.00 H new ATOM 0 HA TYR A 97 4.995 13.640 3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 97 2.222 12.726 2.453 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.637 11.729 2.725 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.544 11.530 5.154 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.689 13.166 4.159 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.849 11.367 7.537 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -0.056 12.842 6.505 1.00 0.00 H new ATOM 0 HH TYR A 97 2.057 11.850 9.050 1.00 0.00 H new ATOM 1463 N LYS A 98 5.370 13.850 0.853 1.00 0.00 N ATOM 1464 CA LYS A 98 5.645 13.825 -0.562 1.00 0.00 C ATOM 1465 C LYS A 98 4.910 12.633 -1.163 1.00 0.00 C ATOM 1466 O LYS A 98 4.991 11.555 -0.585 1.00 0.00 O ATOM 1467 CB LYS A 98 7.160 13.739 -0.787 1.00 0.00 C ATOM 1468 CG LYS A 98 7.530 13.806 -2.275 1.00 0.00 C ATOM 1469 CD LYS A 98 9.036 14.026 -2.479 1.00 0.00 C ATOM 1470 CE LYS A 98 9.877 12.890 -1.887 1.00 0.00 C ATOM 1471 NZ LYS A 98 11.308 13.071 -2.192 1.00 0.00 N ATOM 0 H LYS A 98 6.190 13.649 1.425 1.00 0.00 H new ATOM 0 HA LYS A 98 5.296 14.735 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.651 14.554 -0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.536 12.808 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.228 12.881 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.977 14.616 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.247 14.113 -3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.328 14.969 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.735 12.853 -0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.535 11.935 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.853 12.287 -1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.445 13.082 -3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.638 13.972 -1.790 1.00 0.00 H new ATOM 1485 N THR A 99 4.196 12.805 -2.280 1.00 0.00 N ATOM 1486 CA THR A 99 3.484 11.714 -2.938 1.00 0.00 C ATOM 1487 C THR A 99 4.078 11.463 -4.325 1.00 0.00 C ATOM 1488 O THR A 99 4.466 12.412 -5.005 1.00 0.00 O ATOM 1489 CB THR A 99 1.971 11.973 -2.930 1.00 0.00 C ATOM 1490 OG1 THR A 99 1.282 10.780 -3.228 1.00 0.00 O ATOM 1491 CG2 THR A 99 1.476 13.057 -3.887 1.00 0.00 C ATOM 0 H THR A 99 4.098 13.705 -2.750 1.00 0.00 H new ATOM 0 HA THR A 99 3.619 10.786 -2.382 1.00 0.00 H new ATOM 0 HB THR A 99 1.765 12.338 -1.924 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.317 10.949 -3.220 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.394 13.155 -3.798 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.948 14.007 -3.636 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.732 12.783 -4.911 1.00 0.00 H new ATOM 1499 N THR A 100 4.174 10.190 -4.711 1.00 0.00 N ATOM 1500 CA THR A 100 4.864 9.706 -5.893 1.00 0.00 C ATOM 1501 C THR A 100 4.005 8.638 -6.562 1.00 0.00 C ATOM 1502 O THR A 100 3.991 7.491 -6.109 1.00 0.00 O ATOM 1503 CB THR A 100 6.217 9.109 -5.481 1.00 0.00 C ATOM 1504 OG1 THR A 100 6.985 10.085 -4.803 1.00 0.00 O ATOM 1505 CG2 THR A 100 6.988 8.623 -6.714 1.00 0.00 C ATOM 0 H THR A 100 3.748 9.434 -4.175 1.00 0.00 H new ATOM 0 HA THR A 100 5.034 10.525 -6.591 1.00 0.00 H new ATOM 0 HB THR A 100 6.034 8.261 -4.821 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.847 9.699 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.944 8.203 -6.403 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.406 7.858 -7.229 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.162 9.462 -7.388 1.00 0.00 H new ATOM 1513 N GLN A 101 3.314 9.001 -7.647 1.00 0.00 N ATOM 1514 CA GLN A 101 2.606 8.041 -8.476 1.00 0.00 C ATOM 1515 C GLN A 101 3.596 7.377 -9.436 1.00 0.00 C ATOM 1516 O GLN A 101 4.297 8.083 -10.159 1.00 0.00 O ATOM 1517 CB GLN A 101 1.444 8.738 -9.201 1.00 0.00 C ATOM 1518 CG GLN A 101 0.493 7.745 -9.896 1.00 0.00 C ATOM 1519 CD GLN A 101 1.048 7.181 -11.203 1.00 0.00 C ATOM 1520 OE1 GLN A 101 1.277 5.984 -11.330 1.00 0.00 O ATOM 1521 NE2 GLN A 101 1.268 8.038 -12.193 1.00 0.00 N ATOM 0 H GLN A 101 3.234 9.966 -7.968 1.00 0.00 H new ATOM 0 HA GLN A 101 2.168 7.253 -7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.879 9.334 -8.484 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.846 9.429 -9.942 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.281 6.921 -9.215 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -0.455 8.243 -10.098 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.069 9.030 -12.063 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.636 7.704 -13.084 1.00 0.00 H new ATOM 1530 N VAL A 102 3.649 6.041 -9.466 1.00 0.00 N ATOM 1531 CA VAL A 102 4.444 5.294 -10.435 1.00 0.00 C ATOM 1532 C VAL A 102 3.740 3.980 -10.794 1.00 0.00 C ATOM 1533 O VAL A 102 3.130 3.346 -9.934 1.00 0.00 O ATOM 1534 CB VAL A 102 5.875 5.091 -9.902 1.00 0.00 C ATOM 1535 CG1 VAL A 102 5.915 4.286 -8.596 1.00 0.00 C ATOM 1536 CG2 VAL A 102 6.776 4.419 -10.946 1.00 0.00 C ATOM 0 H VAL A 102 3.137 5.448 -8.813 1.00 0.00 H new ATOM 0 HA VAL A 102 4.534 5.863 -11.361 1.00 0.00 H new ATOM 0 HB VAL A 102 6.255 6.091 -9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.949 4.175 -8.269 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.345 4.810 -7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.479 3.301 -8.762 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.777 4.292 -10.535 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.365 3.444 -11.208 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.827 5.043 -11.838 1.00 0.00 H new ATOM 1546 N GLU A 103 3.831 3.575 -12.065 1.00 0.00 N ATOM 1547 CA GLU A 103 3.274 2.334 -12.583 1.00 0.00 C ATOM 1548 C GLU A 103 4.344 1.250 -12.547 1.00 0.00 C ATOM 1549 O GLU A 103 5.190 1.207 -13.438 1.00 0.00 O ATOM 1550 CB GLU A 103 2.737 2.550 -14.004 1.00 0.00 C ATOM 1551 CG GLU A 103 1.556 3.529 -13.993 1.00 0.00 C ATOM 1552 CD GLU A 103 0.941 3.677 -15.378 1.00 0.00 C ATOM 1553 OE1 GLU A 103 1.555 4.393 -16.198 1.00 0.00 O ATOM 1554 OE2 GLU A 103 -0.127 3.064 -15.593 1.00 0.00 O ATOM 0 H GLU A 103 4.311 4.123 -12.779 1.00 0.00 H new ATOM 0 HA GLU A 103 2.438 2.013 -11.961 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.531 2.937 -14.643 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.422 1.597 -14.428 1.00 0.00 H new ATOM 0 HG2 GLU A 103 0.798 3.178 -13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.893 4.503 -13.637 1.00 0.00 H new ATOM 1561 N LYS A 104 4.315 0.379 -11.532 1.00 0.00 N ATOM 1562 CA LYS A 104 5.303 -0.671 -11.342 1.00 0.00 C ATOM 1563 C LYS A 104 4.651 -1.828 -10.596 1.00 0.00 C ATOM 1564 O LYS A 104 3.477 -1.758 -10.230 1.00 0.00 O ATOM 1565 CB LYS A 104 6.539 -0.157 -10.574 1.00 0.00 C ATOM 1566 CG LYS A 104 7.639 0.440 -11.466 1.00 0.00 C ATOM 1567 CD LYS A 104 8.405 -0.659 -12.220 1.00 0.00 C ATOM 1568 CE LYS A 104 9.532 -0.055 -13.064 1.00 0.00 C ATOM 1569 NZ LYS A 104 10.332 -1.106 -13.718 1.00 0.00 N ATOM 0 H LYS A 104 3.591 0.390 -10.813 1.00 0.00 H new ATOM 0 HA LYS A 104 5.652 -1.008 -12.318 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.218 0.600 -9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.962 -0.980 -9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.194 1.132 -12.181 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.333 1.016 -10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.820 -1.373 -11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.719 -1.211 -12.863 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.109 0.607 -13.820 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.177 0.555 -12.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.087 -0.667 -14.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.754 -1.722 -12.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.720 -1.672 -14.340 1.00 0.00 H new ATOM 1583 N HIS A 105 5.424 -2.899 -10.419 1.00 0.00 N ATOM 1584 CA HIS A 105 5.005 -4.123 -9.756 1.00 0.00 C ATOM 1585 C HIS A 105 5.150 -3.975 -8.247 1.00 0.00 C ATOM 1586 O HIS A 105 6.016 -3.239 -7.763 1.00 0.00 O ATOM 1587 CB HIS A 105 5.798 -5.334 -10.276 1.00 0.00 C ATOM 1588 CG HIS A 105 7.287 -5.104 -10.373 1.00 0.00 C ATOM 1589 ND1 HIS A 105 8.007 -4.966 -11.545 1.00 0.00 N ATOM 1590 CD2 HIS A 105 8.147 -4.942 -9.324 1.00 0.00 C ATOM 1591 CE1 HIS A 105 9.286 -4.718 -11.211 1.00 0.00 C ATOM 1592 NE2 HIS A 105 9.391 -4.699 -9.868 1.00 0.00 N ATOM 0 H HIS A 105 6.390 -2.935 -10.746 1.00 0.00 H new ATOM 0 HA HIS A 105 3.954 -4.300 -9.986 1.00 0.00 H new ATOM 0 HB2 HIS A 105 5.615 -6.183 -9.618 1.00 0.00 H new ATOM 0 HB3 HIS A 105 5.419 -5.606 -11.261 1.00 0.00 H new ATOM 0 HD2 HIS A 105 7.901 -4.994 -8.274 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.097 -4.560 -11.906 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.248 -4.533 -9.341 1.00 0.00 H new ATOM 1601 N ILE A 106 4.298 -4.704 -7.530 1.00 0.00 N ATOM 1602 CA ILE A 106 4.351 -4.877 -6.084 1.00 0.00 C ATOM 1603 C ILE A 106 4.777 -6.299 -5.726 1.00 0.00 C ATOM 1604 O ILE A 106 4.592 -7.243 -6.493 1.00 0.00 O ATOM 1605 CB ILE A 106 3.012 -4.486 -5.433 1.00 0.00 C ATOM 1606 CG1 ILE A 106 1.868 -5.429 -5.848 1.00 0.00 C ATOM 1607 CG2 ILE A 106 2.670 -3.029 -5.775 1.00 0.00 C ATOM 1608 CD1 ILE A 106 0.566 -5.117 -5.107 1.00 0.00 C ATOM 0 H ILE A 106 3.523 -5.209 -7.959 1.00 0.00 H new ATOM 0 HA ILE A 106 5.107 -4.204 -5.680 1.00 0.00 H new ATOM 0 HB ILE A 106 3.125 -4.583 -4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.702 -5.346 -6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.159 -6.460 -5.649 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.721 -2.759 -5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.456 -2.373 -5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.589 -2.918 -6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.212 -5.807 -5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.723 -5.226 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.259 -4.094 -5.326 1.00 0.00 H new ATOM 1620 N ILE A 107 5.385 -6.432 -4.550 1.00 0.00 N ATOM 1621 CA ILE A 107 5.752 -7.677 -3.916 1.00 0.00 C ATOM 1622 C ILE A 107 5.053 -7.635 -2.564 1.00 0.00 C ATOM 1623 O ILE A 107 5.384 -6.811 -1.706 1.00 0.00 O ATOM 1624 CB ILE A 107 7.281 -7.793 -3.786 1.00 0.00 C ATOM 1625 CG1 ILE A 107 8.030 -7.991 -5.118 1.00 0.00 C ATOM 1626 CG2 ILE A 107 7.642 -9.025 -2.936 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.093 -6.770 -6.034 1.00 0.00 C ATOM 0 H ILE A 107 5.646 -5.621 -3.989 1.00 0.00 H new ATOM 0 HA ILE A 107 5.450 -8.553 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 107 7.585 -6.844 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.049 -8.308 -4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.554 -8.806 -5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.726 -9.101 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.203 -8.923 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.253 -9.924 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 107 8.642 -7.023 -6.941 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.082 -6.460 -6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.600 -5.954 -5.519 1.00 0.00 H new ATOM 1639 N VAL A 108 4.060 -8.507 -2.399 1.00 0.00 N ATOM 1640 CA VAL A 108 3.307 -8.629 -1.166 1.00 0.00 C ATOM 1641 C VAL A 108 3.755 -9.897 -0.446 1.00 0.00 C ATOM 1642 O VAL A 108 4.501 -10.690 -1.011 1.00 0.00 O ATOM 1643 CB VAL A 108 1.796 -8.600 -1.460 1.00 0.00 C ATOM 1644 CG1 VAL A 108 1.396 -7.218 -1.990 1.00 0.00 C ATOM 1645 CG2 VAL A 108 1.356 -9.678 -2.459 1.00 0.00 C ATOM 0 H VAL A 108 3.758 -9.152 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 108 3.502 -7.784 -0.506 1.00 0.00 H new ATOM 0 HB VAL A 108 1.289 -8.810 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.326 -7.203 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.632 -6.460 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.945 -7.007 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.281 -9.604 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.879 -9.533 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.595 -10.664 -2.060 1.00 0.00 H new ATOM 1655 N ALA A 109 3.307 -10.092 0.792 1.00 0.00 N ATOM 1656 CA ALA A 109 3.445 -11.348 1.509 1.00 0.00 C ATOM 1657 C ALA A 109 2.065 -11.723 2.031 1.00 0.00 C ATOM 1658 O ALA A 109 1.286 -10.842 2.418 1.00 0.00 O ATOM 1659 CB ALA A 109 4.495 -11.254 2.618 1.00 0.00 C ATOM 0 H ALA A 109 2.831 -9.368 1.330 1.00 0.00 H new ATOM 0 HA ALA A 109 3.809 -12.133 0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.569 -12.213 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.462 -10.999 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.203 -10.483 3.331 1.00 0.00 H new ATOM 1665 N CYS A 110 1.747 -13.018 1.970 1.00 0.00 N ATOM 1666 CA CYS A 110 0.413 -13.535 2.240 1.00 0.00 C ATOM 1667 C CYS A 110 0.362 -14.223 3.593 1.00 0.00 C ATOM 1668 O CYS A 110 1.387 -14.652 4.121 1.00 0.00 O ATOM 1669 CB CYS A 110 -0.074 -14.452 1.113 1.00 0.00 C ATOM 1670 SG CYS A 110 -0.178 -13.651 -0.505 1.00 0.00 S ATOM 0 H CYS A 110 2.422 -13.743 1.728 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.273 -12.689 2.276 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.598 -15.307 1.040 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.057 -14.842 1.377 1.00 0.00 H new ATOM 1675 N GLY A 111 -0.842 -14.283 4.165 1.00 0.00 N ATOM 1676 CA GLY A 111 -1.075 -14.944 5.440 1.00 0.00 C ATOM 1677 C GLY A 111 -1.016 -16.467 5.303 1.00 0.00 C ATOM 1678 O GLY A 111 -0.596 -16.998 4.275 1.00 0.00 O ATOM 0 H GLY A 111 -1.680 -13.873 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.329 -14.614 6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.050 -14.651 5.830 1.00 0.00 H new ATOM 1682 N GLY A 112 -1.467 -17.165 6.352 1.00 0.00 N ATOM 1683 CA GLY A 112 -1.687 -18.604 6.314 1.00 0.00 C ATOM 1684 C GLY A 112 -2.915 -18.924 5.460 1.00 0.00 C ATOM 1685 O GLY A 112 -3.169 -18.261 4.461 1.00 0.00 O ATOM 0 H GLY A 112 -1.689 -16.740 7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -0.809 -19.104 5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.828 -18.985 7.325 1.00 0.00 H new ATOM 1689 N LYS A 113 -3.698 -19.934 5.844 1.00 0.00 N ATOM 1690 CA LYS A 113 -4.919 -20.268 5.123 1.00 0.00 C ATOM 1691 C LYS A 113 -6.048 -19.319 5.569 1.00 0.00 C ATOM 1692 O LYS A 113 -6.209 -19.124 6.774 1.00 0.00 O ATOM 1693 CB LYS A 113 -5.291 -21.735 5.392 1.00 0.00 C ATOM 1694 CG LYS A 113 -4.217 -22.756 4.978 1.00 0.00 C ATOM 1695 CD LYS A 113 -4.472 -23.373 3.593 1.00 0.00 C ATOM 1696 CE LYS A 113 -4.337 -22.393 2.425 1.00 0.00 C ATOM 1697 NZ LYS A 113 -3.010 -21.756 2.390 1.00 0.00 N ATOM 0 H LYS A 113 -3.506 -20.531 6.648 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.766 -20.146 4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -5.496 -21.855 6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -6.215 -21.965 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.242 -22.269 4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.175 -23.552 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.774 -24.196 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.475 -23.799 3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -4.511 -22.921 1.487 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.106 -21.625 2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.925 -21.179 1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.894 -21.149 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.273 -22.490 2.389 1.00 0.00 H new ATOM 1711 N PRO A 114 -6.849 -18.734 4.655 1.00 0.00 N ATOM 1712 CA PRO A 114 -6.731 -18.818 3.210 1.00 0.00 C ATOM 1713 C PRO A 114 -5.617 -17.898 2.714 1.00 0.00 C ATOM 1714 O PRO A 114 -5.365 -16.843 3.290 1.00 0.00 O ATOM 1715 CB PRO A 114 -8.075 -18.350 2.663 1.00 0.00 C ATOM 1716 CG PRO A 114 -8.544 -17.337 3.711 1.00 0.00 C ATOM 1717 CD PRO A 114 -7.990 -17.906 5.020 1.00 0.00 C ATOM 0 HA PRO A 114 -6.487 -19.829 2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.972 -17.893 1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -8.778 -19.177 2.559 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -8.155 -16.339 3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -9.631 -17.256 3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.689 -17.105 5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.747 -18.494 5.540 1.00 0.00 H new ATOM 1725 N SER A 115 -4.965 -18.306 1.628 1.00 0.00 N ATOM 1726 CA SER A 115 -3.821 -17.608 1.063 1.00 0.00 C ATOM 1727 C SER A 115 -4.244 -16.249 0.493 1.00 0.00 C ATOM 1728 O SER A 115 -4.640 -16.172 -0.668 1.00 0.00 O ATOM 1729 CB SER A 115 -3.213 -18.505 -0.030 1.00 0.00 C ATOM 1730 OG SER A 115 -3.295 -19.871 0.343 1.00 0.00 O ATOM 0 H SER A 115 -5.224 -19.145 1.110 1.00 0.00 H new ATOM 0 HA SER A 115 -3.077 -17.412 1.835 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.739 -18.347 -0.972 1.00 0.00 H new ATOM 0 HB3 SER A 115 -2.172 -18.230 -0.196 1.00 0.00 H new ATOM 0 HG SER A 115 -2.906 -20.427 -0.364 1.00 0.00 H new ATOM 1736 N VAL A 116 -4.174 -15.192 1.307 1.00 0.00 N ATOM 1737 CA VAL A 116 -4.556 -13.837 0.926 1.00 0.00 C ATOM 1738 C VAL A 116 -3.429 -12.861 1.311 1.00 0.00 C ATOM 1739 O VAL A 116 -2.752 -13.093 2.319 1.00 0.00 O ATOM 1740 CB VAL A 116 -5.911 -13.470 1.566 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -7.015 -14.442 1.133 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -5.858 -13.373 3.099 1.00 0.00 C ATOM 0 H VAL A 116 -3.842 -15.260 2.269 1.00 0.00 H new ATOM 0 HA VAL A 116 -4.691 -13.770 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.149 -12.473 1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -7.956 -14.155 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.124 -14.409 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -6.750 -15.454 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -6.845 -13.112 3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.551 -14.333 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -5.141 -12.605 3.390 1.00 0.00 H new ATOM 1752 N PRO A 117 -3.201 -11.785 0.531 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.081 -10.871 0.724 1.00 0.00 C ATOM 1754 C PRO A 117 -2.335 -9.982 1.935 1.00 0.00 C ATOM 1755 O PRO A 117 -3.389 -9.358 2.024 1.00 0.00 O ATOM 1756 CB PRO A 117 -1.966 -10.073 -0.571 1.00 0.00 C ATOM 1757 CG PRO A 117 -3.398 -10.050 -1.100 1.00 0.00 C ATOM 1758 CD PRO A 117 -4.008 -11.365 -0.607 1.00 0.00 C ATOM 0 HA PRO A 117 -1.146 -11.393 0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -1.588 -9.067 -0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -1.284 -10.548 -1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -3.948 -9.190 -0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -3.419 -9.986 -2.188 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.049 -11.226 -0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -3.995 -12.120 -1.394 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.383 -9.942 2.873 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.571 -9.334 4.179 1.00 0.00 C ATOM 1768 C VAL A 118 -0.473 -8.332 4.542 1.00 0.00 C ATOM 1769 O VAL A 118 -0.673 -7.515 5.438 1.00 0.00 O ATOM 1770 CB VAL A 118 -1.791 -10.453 5.216 1.00 0.00 C ATOM 1771 CG1 VAL A 118 -0.508 -11.232 5.514 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -2.365 -9.913 6.530 1.00 0.00 C ATOM 0 H VAL A 118 -0.453 -10.337 2.738 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.466 -8.712 4.165 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.514 -11.132 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.716 -12.008 6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.140 -11.691 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.247 -10.552 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -2.504 -10.736 7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.675 -9.185 6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -3.325 -9.434 6.338 1.00 0.00 H new ATOM 1782 N HIS A 119 0.670 -8.366 3.848 1.00 0.00 N ATOM 1783 CA HIS A 119 1.724 -7.376 4.010 1.00 0.00 C ATOM 1784 C HIS A 119 2.216 -6.898 2.649 1.00 0.00 C ATOM 1785 O HIS A 119 2.242 -7.671 1.692 1.00 0.00 O ATOM 1786 CB HIS A 119 2.894 -7.962 4.804 1.00 0.00 C ATOM 1787 CG HIS A 119 2.536 -8.490 6.170 1.00 0.00 C ATOM 1788 ND1 HIS A 119 2.709 -9.790 6.605 1.00 0.00 N ATOM 1789 CD2 HIS A 119 2.010 -7.761 7.200 1.00 0.00 C ATOM 1790 CE1 HIS A 119 2.282 -9.851 7.880 1.00 0.00 C ATOM 1791 NE2 HIS A 119 1.853 -8.632 8.259 1.00 0.00 N ATOM 0 H HIS A 119 0.884 -9.086 3.158 1.00 0.00 H new ATOM 0 HA HIS A 119 1.314 -6.528 4.559 1.00 0.00 H new ATOM 0 HB2 HIS A 119 3.339 -8.770 4.224 1.00 0.00 H new ATOM 0 HB3 HIS A 119 3.658 -7.193 4.917 1.00 0.00 H new ATOM 0 HD2 HIS A 119 1.765 -6.709 7.187 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.283 -10.736 8.500 1.00 0.00 H new ATOM 0 HE2 HIS A 119 1.475 -8.392 9.176 1.00 0.00 H new ATOM 1800 N PHE A 120 2.637 -5.632 2.593 1.00 0.00 N ATOM 1801 CA PHE A 120 3.363 -5.051 1.478 1.00 0.00 C ATOM 1802 C PHE A 120 4.837 -5.209 1.824 1.00 0.00 C ATOM 1803 O PHE A 120 5.308 -4.575 2.766 1.00 0.00 O ATOM 1804 CB PHE A 120 2.995 -3.569 1.322 1.00 0.00 C ATOM 1805 CG PHE A 120 3.833 -2.818 0.311 1.00 0.00 C ATOM 1806 CD1 PHE A 120 3.483 -2.841 -1.051 1.00 0.00 C ATOM 1807 CD2 PHE A 120 4.946 -2.068 0.737 1.00 0.00 C ATOM 1808 CE1 PHE A 120 4.210 -2.073 -1.976 1.00 0.00 C ATOM 1809 CE2 PHE A 120 5.682 -1.314 -0.191 1.00 0.00 C ATOM 1810 CZ PHE A 120 5.307 -1.307 -1.544 1.00 0.00 C ATOM 0 H PHE A 120 2.473 -4.968 3.350 1.00 0.00 H new ATOM 0 HA PHE A 120 3.122 -5.539 0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.947 -3.496 1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.092 -3.080 2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.656 -3.449 -1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.234 -2.073 1.778 1.00 0.00 H new ATOM 0 HE1 PHE A 120 3.926 -2.071 -3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.536 -0.740 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.862 -0.712 -2.254 1.00 0.00 H new ATOM 1820 N ASP A 121 5.544 -6.079 1.105 1.00 0.00 N ATOM 1821 CA ASP A 121 6.975 -6.257 1.304 1.00 0.00 C ATOM 1822 C ASP A 121 7.728 -5.141 0.588 1.00 0.00 C ATOM 1823 O ASP A 121 8.542 -4.454 1.199 1.00 0.00 O ATOM 1824 CB ASP A 121 7.409 -7.631 0.794 1.00 0.00 C ATOM 1825 CG ASP A 121 8.897 -7.876 1.025 1.00 0.00 C ATOM 1826 OD1 ASP A 121 9.227 -8.368 2.126 1.00 0.00 O ATOM 1827 OD2 ASP A 121 9.673 -7.592 0.088 1.00 0.00 O ATOM 0 H ASP A 121 5.144 -6.672 0.378 1.00 0.00 H new ATOM 0 HA ASP A 121 7.207 -6.206 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.830 -8.405 1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.188 -7.710 -0.271 1.00 0.00 H new ATOM 1832 N ALA A 122 7.472 -4.978 -0.714 1.00 0.00 N ATOM 1833 CA ALA A 122 8.200 -4.022 -1.538 1.00 0.00 C ATOM 1834 C ALA A 122 7.459 -3.761 -2.851 1.00 0.00 C ATOM 1835 O ALA A 122 6.373 -4.293 -3.085 1.00 0.00 O ATOM 1836 CB ALA A 122 9.615 -4.557 -1.806 1.00 0.00 C ATOM 0 H ALA A 122 6.758 -5.504 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 122 8.272 -3.073 -1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.163 -3.844 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.137 -4.695 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 122 9.550 -5.512 -2.327 1.00 0.00 H new ATOM 1842 N SER A 123 8.069 -2.967 -3.730 1.00 0.00 N ATOM 1843 CA SER A 123 7.632 -2.733 -5.094 1.00 0.00 C ATOM 1844 C SER A 123 8.853 -2.321 -5.905 1.00 0.00 C ATOM 1845 O SER A 123 9.932 -2.162 -5.335 1.00 0.00 O ATOM 1846 CB SER A 123 6.553 -1.643 -5.119 1.00 0.00 C ATOM 1847 OG SER A 123 7.004 -0.481 -4.449 1.00 0.00 O ATOM 0 H SER A 123 8.916 -2.450 -3.495 1.00 0.00 H new ATOM 0 HA SER A 123 7.193 -3.634 -5.523 1.00 0.00 H new ATOM 0 HB2 SER A 123 6.299 -1.399 -6.150 1.00 0.00 H new ATOM 0 HB3 SER A 123 5.644 -2.013 -4.645 1.00 0.00 H new ATOM 0 HG SER A 123 6.256 0.142 -4.335 1.00 0.00 H new ATOM 1853 N VAL A 124 8.668 -2.131 -7.215 1.00 0.00 N ATOM 1854 CA VAL A 124 9.683 -1.594 -8.122 1.00 0.00 C ATOM 1855 C VAL A 124 11.066 -2.236 -7.894 1.00 0.00 C ATOM 1856 O VAL A 124 12.002 -1.528 -7.465 1.00 0.00 O ATOM 1857 CB VAL A 124 9.638 -0.046 -8.136 1.00 0.00 C ATOM 1858 CG1 VAL A 124 9.842 0.638 -6.775 1.00 0.00 C ATOM 1859 CG2 VAL A 124 10.607 0.555 -9.163 1.00 0.00 C ATOM 1860 OXT VAL A 124 11.163 -3.449 -8.184 1.00 0.00 O ATOM 0 H VAL A 124 7.789 -2.352 -7.683 1.00 0.00 H new ATOM 0 HA VAL A 124 9.448 -1.886 -9.146 1.00 0.00 H new ATOM 0 HB VAL A 124 8.609 0.165 -8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 124 9.792 1.720 -6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 124 9.062 0.316 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.817 0.364 -6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 124 10.539 1.642 -9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.626 0.249 -8.925 1.00 0.00 H new ATOM 0 HG23 VAL A 124 10.346 0.201 -10.160 1.00 0.00 H new TER 1870 VAL A 124