USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 895 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 71 ASN : amide:sc= 0.237 K(o=1.3,f=-0.36!) USER MOD Set 1.2: A 74 THR OG1 : rot 140:sc= 1.09 USER MOD Set 2.1: A 46 TYR OH : rot 166:sc= 1.02 USER MOD Set 2.2: A 79 THR OG1 : rot 137:sc= 1.25 USER MOD Single : A 1 GLU N :NH3+ -172:sc= 0.558 (180deg=0.23) USER MOD Single : A 2 GLN : amide:sc= -0.787 K(o=-0.79,f=0) USER MOD Single : A 4 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.053) USER MOD Single : A 9 THR OG1 : rot 72:sc= 0.323 USER MOD Single : A 10 TYR OH : rot 64:sc= 1.73 USER MOD Single : A 11 HIS : no HD1:sc= -2.85! C(o=-2.9!,f=-3!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.095) USER MOD Single : A 18 ASN : amide:sc= -0.0559 X(o=-0.056,f=0.36) USER MOD Single : A 19 ASN : amide:sc= -0.735 K(o=-0.73,f=-9.1!) USER MOD Single : A 28 SER OG : rot 49:sc= 0.757 USER MOD Single : A 30 TYR OH : rot -135:sc= 1.27 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.121 USER MOD Single : A 38 LYS NZ :NH3+ 138:sc= 0.145 (180deg=-0.876) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -88:sc= 0.736 USER MOD Single : A 45 LYS NZ :NH3+ 148:sc= 0.414 (180deg=-1.34!) USER MOD Single : A 49 THR OG1 : rot -170:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.692 K(o=-0.69,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -149:sc= 0.764 (180deg=0.334) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 77 GLN : amide:sc= -2.59! C(o=-2.6!,f=-1.7!) USER MOD Single : A 85 GLN : amide:sc= -1.99! C(o=-2!,f=-2.7!) USER MOD Single : A 88 ASN : amide:sc= -1.95 K(o=-1.9,f=-0.52) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 173:sc= 1.45 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -2.07! C(o=-2.1!,f=-7!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.67) USER MOD Single : A 111 GLN : amide:sc= -0.734 X(o=-0.73,f=-0.26) USER MOD Single : A 113 HIS : no HE2:sc= -2.01 K(o=-2,f=-9.2!) USER MOD Single : A 115 ASN : amide:sc= -2.03 K(o=-2,f=-7.6!) USER MOD Single : A 117 ASN : amide:sc= -5.69! C(o=-5.7!,f=-9.8!) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.0322 USER MOD Single : A 119 GLN : amide:sc= -4.14! C(o=-4.1!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.073 15.859 0.707 1.00 0.00 N ATOM 2 CA GLU A 1 4.686 15.861 -0.734 1.00 0.00 C ATOM 3 C GLU A 1 5.354 14.714 -1.521 1.00 0.00 C ATOM 4 O GLU A 1 4.746 13.711 -1.837 1.00 0.00 O ATOM 5 CB GLU A 1 5.073 17.248 -1.357 1.00 0.00 C ATOM 6 CG GLU A 1 4.666 17.215 -2.868 1.00 0.00 C ATOM 7 CD GLU A 1 3.174 16.898 -3.038 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.434 17.135 -2.097 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.867 16.428 -4.115 1.00 0.00 O ATOM 0 H1 GLU A 1 4.500 16.558 1.221 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.910 14.914 1.109 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.080 16.104 0.796 1.00 0.00 H new ATOM 0 HA GLU A 1 3.610 15.701 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.559 18.058 -0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 1 6.142 17.431 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.890 18.177 -3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.261 16.466 -3.391 1.00 0.00 H new ATOM 18 N GLN A 2 6.615 14.898 -1.809 1.00 0.00 N ATOM 19 CA GLN A 2 7.372 13.857 -2.567 1.00 0.00 C ATOM 20 C GLN A 2 8.128 13.053 -1.510 1.00 0.00 C ATOM 21 O GLN A 2 8.747 13.625 -0.631 1.00 0.00 O ATOM 22 CB GLN A 2 8.434 14.486 -3.522 1.00 0.00 C ATOM 23 CG GLN A 2 7.885 15.638 -4.419 1.00 0.00 C ATOM 24 CD GLN A 2 8.928 16.105 -5.453 1.00 0.00 C ATOM 25 OE1 GLN A 2 8.753 17.086 -6.137 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.035 15.456 -5.630 1.00 0.00 N ATOM 0 H GLN A 2 7.155 15.725 -1.552 1.00 0.00 H new ATOM 0 HA GLN A 2 6.684 13.266 -3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.262 14.869 -2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.839 13.703 -4.163 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.987 15.300 -4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.593 16.480 -3.791 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.231 14.621 -5.078 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.711 15.780 -6.322 1.00 0.00 H new ATOM 35 N ALA A 3 8.074 11.752 -1.623 1.00 0.00 N ATOM 36 CA ALA A 3 8.791 10.897 -0.631 1.00 0.00 C ATOM 37 C ALA A 3 9.871 10.103 -1.398 1.00 0.00 C ATOM 38 O ALA A 3 9.665 9.730 -2.546 1.00 0.00 O ATOM 39 CB ALA A 3 7.731 9.993 0.023 1.00 0.00 C ATOM 0 H ALA A 3 7.569 11.248 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 3 9.292 11.462 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.208 9.346 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.980 10.611 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.253 9.381 -0.742 1.00 0.00 H new ATOM 45 N ASN A 4 10.979 9.882 -0.732 1.00 0.00 N ATOM 46 CA ASN A 4 12.166 9.135 -1.269 1.00 0.00 C ATOM 47 C ASN A 4 12.569 8.096 -0.201 1.00 0.00 C ATOM 48 O ASN A 4 11.963 8.055 0.849 1.00 0.00 O ATOM 49 CB ASN A 4 13.356 10.146 -1.521 1.00 0.00 C ATOM 50 CG ASN A 4 13.068 11.180 -2.612 1.00 0.00 C ATOM 51 OD1 ASN A 4 13.809 12.105 -2.867 1.00 0.00 O ATOM 52 ND2 ASN A 4 11.995 11.093 -3.316 1.00 0.00 N ATOM 0 H ASN A 4 11.116 10.211 0.224 1.00 0.00 H new ATOM 0 HA ASN A 4 11.930 8.644 -2.213 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.581 10.667 -0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 4 14.248 9.582 -1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.805 11.782 -4.044 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.334 10.335 -3.146 1.00 0.00 H new ATOM 59 N ASP A 5 13.554 7.300 -0.488 1.00 0.00 N ATOM 60 CA ASP A 5 14.048 6.253 0.476 1.00 0.00 C ATOM 61 C ASP A 5 12.937 5.599 1.355 1.00 0.00 C ATOM 62 O ASP A 5 12.896 5.653 2.574 1.00 0.00 O ATOM 63 CB ASP A 5 15.146 6.959 1.342 1.00 0.00 C ATOM 64 CG ASP A 5 16.195 7.530 0.398 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.959 6.710 -0.082 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.157 8.734 0.213 1.00 0.00 O ATOM 0 H ASP A 5 14.060 7.323 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 5 14.444 5.404 -0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.704 7.752 1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.601 6.249 2.033 1.00 0.00 H new ATOM 71 N VAL A 6 12.038 4.981 0.638 1.00 0.00 N ATOM 72 CA VAL A 6 10.877 4.276 1.257 1.00 0.00 C ATOM 73 C VAL A 6 11.066 2.753 1.095 1.00 0.00 C ATOM 74 O VAL A 6 11.539 2.288 0.074 1.00 0.00 O ATOM 75 CB VAL A 6 9.577 4.731 0.539 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.363 4.205 1.317 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.491 6.273 0.445 1.00 0.00 C ATOM 0 H VAL A 6 12.061 4.934 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 6 10.809 4.516 2.318 1.00 0.00 H new ATOM 0 HB VAL A 6 9.588 4.329 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.447 4.521 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.399 3.116 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.380 4.604 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.569 6.556 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.498 6.700 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.345 6.652 -0.116 1.00 0.00 H new ATOM 87 N ARG A 7 10.669 2.022 2.102 1.00 0.00 N ATOM 88 CA ARG A 7 10.792 0.528 2.100 1.00 0.00 C ATOM 89 C ARG A 7 9.588 -0.228 1.488 1.00 0.00 C ATOM 90 O ARG A 7 8.501 -0.269 2.036 1.00 0.00 O ATOM 91 CB ARG A 7 11.023 0.080 3.579 1.00 0.00 C ATOM 92 CG ARG A 7 9.771 0.386 4.464 1.00 0.00 C ATOM 93 CD ARG A 7 10.159 0.347 5.938 1.00 0.00 C ATOM 94 NE ARG A 7 8.918 0.711 6.713 1.00 0.00 N ATOM 95 CZ ARG A 7 8.598 0.123 7.805 1.00 0.00 C ATOM 96 NH1 ARG A 7 9.059 0.629 8.878 1.00 0.00 N ATOM 97 NH2 ARG A 7 7.855 -0.909 7.738 1.00 0.00 N ATOM 0 H ARG A 7 10.253 2.406 2.950 1.00 0.00 H new ATOM 0 HA ARG A 7 11.628 0.268 1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.241 -0.988 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.894 0.594 3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.366 1.366 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.987 -0.344 4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.517 -0.643 6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.967 1.049 6.146 1.00 0.00 H new ATOM 0 HE ARG A 7 8.313 1.450 6.356 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.650 1.460 8.837 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.838 0.204 9.778 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.531 -1.246 6.831 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.584 -1.398 8.591 1.00 0.00 H new ATOM 111 N ALA A 8 9.840 -0.798 0.341 1.00 0.00 N ATOM 112 CA ALA A 8 8.766 -1.577 -0.370 1.00 0.00 C ATOM 113 C ALA A 8 9.159 -3.078 -0.457 1.00 0.00 C ATOM 114 O ALA A 8 10.257 -3.401 -0.868 1.00 0.00 O ATOM 115 CB ALA A 8 8.562 -0.960 -1.799 1.00 0.00 C ATOM 0 H ALA A 8 10.739 -0.762 -0.140 1.00 0.00 H new ATOM 0 HA ALA A 8 7.829 -1.515 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.786 -1.514 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.262 0.084 -1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.496 -1.021 -2.358 1.00 0.00 H new ATOM 121 N THR A 9 8.227 -3.896 -0.038 1.00 0.00 N ATOM 122 CA THR A 9 8.302 -5.408 -0.004 1.00 0.00 C ATOM 123 C THR A 9 7.078 -5.867 -0.816 1.00 0.00 C ATOM 124 O THR A 9 6.410 -5.022 -1.368 1.00 0.00 O ATOM 125 CB THR A 9 8.197 -5.963 1.457 1.00 0.00 C ATOM 126 OG1 THR A 9 8.148 -7.385 1.360 1.00 0.00 O ATOM 127 CG2 THR A 9 6.835 -5.646 2.084 1.00 0.00 C ATOM 0 H THR A 9 7.335 -3.549 0.315 1.00 0.00 H new ATOM 0 HA THR A 9 9.251 -5.768 -0.402 1.00 0.00 H new ATOM 0 HB THR A 9 9.024 -5.542 2.029 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.029 -7.726 1.097 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.799 -6.046 3.097 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.691 -4.566 2.115 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.045 -6.100 1.486 1.00 0.00 H new ATOM 135 N TYR A 10 6.841 -7.142 -0.837 1.00 0.00 N ATOM 136 CA TYR A 10 5.702 -7.748 -1.588 1.00 0.00 C ATOM 137 C TYR A 10 4.972 -8.857 -0.799 1.00 0.00 C ATOM 138 O TYR A 10 5.574 -9.477 0.057 1.00 0.00 O ATOM 139 CB TYR A 10 6.326 -8.290 -2.878 1.00 0.00 C ATOM 140 CG TYR A 10 7.478 -9.244 -2.466 1.00 0.00 C ATOM 141 CD1 TYR A 10 7.229 -10.564 -2.140 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.782 -8.781 -2.393 1.00 0.00 C ATOM 143 CE1 TYR A 10 8.261 -11.403 -1.749 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.800 -9.615 -2.007 1.00 0.00 C ATOM 145 CZ TYR A 10 9.547 -10.926 -1.683 1.00 0.00 C ATOM 146 OH TYR A 10 10.578 -11.746 -1.288 1.00 0.00 O ATOM 0 H TYR A 10 7.415 -7.825 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 10 4.926 -7.007 -1.779 1.00 0.00 H new ATOM 0 HB2 TYR A 10 5.582 -8.820 -3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.704 -7.474 -3.495 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.220 -10.946 -2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.999 -7.753 -2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.053 -12.432 -1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.811 -9.237 -1.957 1.00 0.00 H new ATOM 0 HH TYR A 10 10.688 -12.470 -1.939 1.00 0.00 H new ATOM 156 N HIS A 11 3.718 -9.090 -1.087 1.00 0.00 N ATOM 157 CA HIS A 11 2.965 -10.172 -0.365 1.00 0.00 C ATOM 158 C HIS A 11 1.853 -10.758 -1.279 1.00 0.00 C ATOM 159 O HIS A 11 1.735 -10.360 -2.416 1.00 0.00 O ATOM 160 CB HIS A 11 2.381 -9.570 0.939 1.00 0.00 C ATOM 161 CG HIS A 11 1.733 -10.717 1.704 1.00 0.00 C ATOM 162 ND1 HIS A 11 2.343 -11.784 2.107 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.431 -10.894 2.100 1.00 0.00 C ATOM 164 CE1 HIS A 11 1.494 -12.567 2.703 1.00 0.00 C ATOM 165 NE2 HIS A 11 0.295 -12.046 2.718 1.00 0.00 N ATOM 0 H HIS A 11 3.179 -8.582 -1.788 1.00 0.00 H new ATOM 0 HA HIS A 11 3.631 -10.996 -0.109 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.166 -9.103 1.534 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.649 -8.795 0.713 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.368 -10.188 1.928 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.747 -13.526 3.131 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.554 -12.444 3.119 1.00 0.00 H new ATOM 173 N TYR A 12 1.056 -11.683 -0.806 1.00 0.00 N ATOM 174 CA TYR A 12 -0.027 -12.251 -1.685 1.00 0.00 C ATOM 175 C TYR A 12 -1.358 -12.110 -0.908 1.00 0.00 C ATOM 176 O TYR A 12 -1.395 -12.291 0.291 1.00 0.00 O ATOM 177 CB TYR A 12 0.283 -13.752 -1.982 1.00 0.00 C ATOM 178 CG TYR A 12 1.805 -13.987 -1.988 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.630 -13.474 -2.976 1.00 0.00 C ATOM 180 CD2 TYR A 12 2.368 -14.715 -0.961 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.001 -13.692 -2.921 1.00 0.00 C ATOM 182 CE2 TYR A 12 3.732 -14.928 -0.913 1.00 0.00 C ATOM 183 CZ TYR A 12 4.551 -14.418 -1.888 1.00 0.00 C ATOM 184 OH TYR A 12 5.908 -14.633 -1.807 1.00 0.00 O ATOM 0 H TYR A 12 1.102 -12.069 0.137 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.088 -11.726 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.187 -14.384 -1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.140 -14.035 -2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.207 -12.904 -3.790 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.736 -15.123 -0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.640 -13.290 -3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.157 -15.500 -0.102 1.00 0.00 H new ATOM 0 HH TYR A 12 6.108 -15.165 -1.009 1.00 0.00 H new ATOM 194 N TYR A 13 -2.416 -11.806 -1.609 1.00 0.00 N ATOM 195 CA TYR A 13 -3.778 -11.638 -0.967 1.00 0.00 C ATOM 196 C TYR A 13 -4.683 -12.847 -1.326 1.00 0.00 C ATOM 197 O TYR A 13 -5.092 -13.619 -0.477 1.00 0.00 O ATOM 198 CB TYR A 13 -4.374 -10.295 -1.499 1.00 0.00 C ATOM 199 CG TYR A 13 -4.456 -9.188 -0.427 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.345 -8.697 0.242 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.693 -8.657 -0.128 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.488 -7.688 1.193 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.827 -7.661 0.813 1.00 0.00 C ATOM 204 CZ TYR A 13 -4.731 -7.168 1.479 1.00 0.00 C ATOM 205 OH TYR A 13 -4.917 -6.166 2.408 1.00 0.00 O ATOM 0 H TYR A 13 -2.407 -11.662 -2.619 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.707 -11.605 0.120 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.764 -9.940 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.373 -10.482 -1.894 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.366 -9.098 0.025 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.569 -9.028 -0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.618 -7.311 1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.807 -7.262 1.031 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.869 -5.940 2.460 1.00 0.00 H new ATOM 215 N ARG A 14 -4.955 -12.941 -2.606 1.00 0.00 N ATOM 216 CA ARG A 14 -5.804 -14.028 -3.215 1.00 0.00 C ATOM 217 C ARG A 14 -5.268 -14.385 -4.643 1.00 0.00 C ATOM 218 O ARG A 14 -5.021 -15.551 -4.878 1.00 0.00 O ATOM 219 CB ARG A 14 -7.307 -13.535 -3.269 1.00 0.00 C ATOM 220 CG ARG A 14 -8.320 -14.661 -2.880 1.00 0.00 C ATOM 221 CD ARG A 14 -8.539 -14.685 -1.358 1.00 0.00 C ATOM 222 NE ARG A 14 -7.228 -15.062 -0.746 1.00 0.00 N ATOM 223 CZ ARG A 14 -7.073 -15.921 0.185 1.00 0.00 C ATOM 224 NH1 ARG A 14 -7.715 -17.016 0.174 1.00 0.00 N ATOM 225 NH2 ARG A 14 -6.242 -15.584 1.079 1.00 0.00 N ATOM 0 H ARG A 14 -4.605 -12.273 -3.293 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.754 -14.931 -2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.433 -12.688 -2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.533 -13.178 -4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.270 -14.495 -3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.944 -15.628 -3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.869 -13.710 -0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.314 -15.403 -1.089 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.392 -14.596 -1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.365 -17.219 -0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.581 -17.693 0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.760 -14.687 1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.054 -16.209 1.863 1.00 0.00 H new ATOM 239 N PRO A 15 -5.100 -13.437 -5.548 1.00 0.00 N ATOM 240 CA PRO A 15 -5.578 -12.022 -5.483 1.00 0.00 C ATOM 241 C PRO A 15 -6.854 -11.716 -6.309 1.00 0.00 C ATOM 242 O PRO A 15 -7.962 -11.739 -5.803 1.00 0.00 O ATOM 243 CB PRO A 15 -4.324 -11.269 -5.941 1.00 0.00 C ATOM 244 CG PRO A 15 -3.656 -12.249 -6.996 1.00 0.00 C ATOM 245 CD PRO A 15 -4.328 -13.649 -6.796 1.00 0.00 C ATOM 0 HA PRO A 15 -5.934 -11.731 -4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.576 -10.309 -6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.654 -11.063 -5.106 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.810 -11.887 -8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.579 -12.311 -6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.971 -13.918 -7.634 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.591 -14.445 -6.691 1.00 0.00 H new ATOM 253 N ALA A 16 -6.671 -11.449 -7.575 1.00 0.00 N ATOM 254 CA ALA A 16 -7.863 -11.134 -8.435 1.00 0.00 C ATOM 255 C ALA A 16 -8.983 -12.207 -8.382 1.00 0.00 C ATOM 256 O ALA A 16 -10.083 -11.961 -8.834 1.00 0.00 O ATOM 257 CB ALA A 16 -7.357 -10.931 -9.886 1.00 0.00 C ATOM 0 H ALA A 16 -5.768 -11.434 -8.049 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.331 -10.229 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.201 -10.700 -10.537 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.644 -10.107 -9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.870 -11.843 -10.233 1.00 0.00 H new ATOM 263 N GLN A 17 -8.684 -13.359 -7.844 1.00 0.00 N ATOM 264 CA GLN A 17 -9.685 -14.468 -7.734 1.00 0.00 C ATOM 265 C GLN A 17 -11.096 -14.001 -7.245 1.00 0.00 C ATOM 266 O GLN A 17 -12.083 -14.515 -7.726 1.00 0.00 O ATOM 267 CB GLN A 17 -9.078 -15.534 -6.782 1.00 0.00 C ATOM 268 CG GLN A 17 -9.922 -16.848 -6.892 1.00 0.00 C ATOM 269 CD GLN A 17 -9.780 -17.523 -8.261 1.00 0.00 C ATOM 270 OE1 GLN A 17 -10.734 -17.894 -8.902 1.00 0.00 O ATOM 271 NE2 GLN A 17 -8.616 -17.730 -8.784 1.00 0.00 N ATOM 0 H GLN A 17 -7.764 -13.586 -7.466 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.868 -14.878 -8.727 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.039 -15.729 -7.048 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.081 -15.168 -5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.609 -17.543 -6.113 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.972 -16.618 -6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.774 -17.437 -8.287 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.539 -18.186 -9.693 1.00 0.00 H new ATOM 280 N ASN A 18 -11.170 -13.062 -6.324 1.00 0.00 N ATOM 281 CA ASN A 18 -12.506 -12.566 -5.811 1.00 0.00 C ATOM 282 C ASN A 18 -12.774 -11.168 -6.450 1.00 0.00 C ATOM 283 O ASN A 18 -13.429 -10.301 -5.909 1.00 0.00 O ATOM 284 CB ASN A 18 -12.404 -12.499 -4.245 1.00 0.00 C ATOM 285 CG ASN A 18 -13.768 -12.317 -3.549 1.00 0.00 C ATOM 286 OD1 ASN A 18 -14.388 -11.280 -3.550 1.00 0.00 O ATOM 287 ND2 ASN A 18 -14.320 -13.300 -2.919 1.00 0.00 N ATOM 0 H ASN A 18 -10.359 -12.612 -5.900 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.336 -13.220 -6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.937 -13.414 -3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.749 -11.673 -3.966 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -15.223 -13.171 -2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.853 -14.206 -2.877 1.00 0.00 H new ATOM 294 N ASN A 19 -12.238 -11.035 -7.643 1.00 0.00 N ATOM 295 CA ASN A 19 -12.346 -9.783 -8.465 1.00 0.00 C ATOM 296 C ASN A 19 -11.714 -8.625 -7.665 1.00 0.00 C ATOM 297 O ASN A 19 -12.143 -7.485 -7.680 1.00 0.00 O ATOM 298 CB ASN A 19 -13.860 -9.622 -8.745 1.00 0.00 C ATOM 299 CG ASN A 19 -14.106 -8.618 -9.848 1.00 0.00 C ATOM 300 OD1 ASN A 19 -13.211 -8.127 -10.499 1.00 0.00 O ATOM 301 ND2 ASN A 19 -15.321 -8.277 -10.110 1.00 0.00 N ATOM 0 H ASN A 19 -11.707 -11.777 -8.099 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.813 -9.805 -9.415 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.286 -10.586 -9.025 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.369 -9.300 -7.836 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -15.513 -7.606 -10.854 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.090 -8.678 -9.574 1.00 0.00 H new ATOM 308 N TRP A 20 -10.682 -9.065 -6.994 1.00 0.00 N ATOM 309 CA TRP A 20 -9.791 -8.323 -6.099 1.00 0.00 C ATOM 310 C TRP A 20 -10.564 -8.365 -4.784 1.00 0.00 C ATOM 311 O TRP A 20 -11.664 -7.859 -4.666 1.00 0.00 O ATOM 312 CB TRP A 20 -9.603 -6.897 -6.496 1.00 0.00 C ATOM 313 CG TRP A 20 -8.893 -6.717 -7.859 1.00 0.00 C ATOM 314 CD1 TRP A 20 -9.535 -6.497 -9.029 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.550 -6.677 -8.076 1.00 0.00 C ATOM 316 NE1 TRP A 20 -8.539 -6.324 -9.887 1.00 0.00 N ATOM 317 CE2 TRP A 20 -7.311 -6.412 -9.406 1.00 0.00 C ATOM 318 CE3 TRP A 20 -6.477 -6.827 -7.215 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -6.018 -6.287 -9.865 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -5.192 -6.699 -7.683 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.959 -6.427 -9.009 1.00 0.00 C ATOM 0 H TRP A 20 -10.406 -10.045 -7.057 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.788 -8.750 -6.083 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.577 -6.409 -6.537 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -9.024 -6.388 -5.725 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.598 -6.469 -9.218 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.713 -6.132 -10.874 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -6.651 -7.045 -6.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.838 -6.077 -10.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -4.360 -6.813 -7.004 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.948 -6.324 -9.374 1.00 0.00 H new ATOM 332 N ASP A 21 -9.923 -8.959 -3.831 1.00 0.00 N ATOM 333 CA ASP A 21 -10.470 -9.151 -2.447 1.00 0.00 C ATOM 334 C ASP A 21 -10.683 -7.830 -1.602 1.00 0.00 C ATOM 335 O ASP A 21 -10.257 -7.674 -0.471 1.00 0.00 O ATOM 336 CB ASP A 21 -9.455 -10.171 -1.864 1.00 0.00 C ATOM 337 CG ASP A 21 -10.051 -11.183 -0.892 1.00 0.00 C ATOM 338 OD1 ASP A 21 -10.625 -12.107 -1.450 1.00 0.00 O ATOM 339 OD2 ASP A 21 -9.898 -11.007 0.306 1.00 0.00 O ATOM 0 H ASP A 21 -8.987 -9.345 -3.952 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.500 -9.507 -2.432 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.990 -10.711 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.662 -9.623 -1.355 1.00 0.00 H new ATOM 344 N LEU A 22 -11.354 -6.886 -2.219 1.00 0.00 N ATOM 345 CA LEU A 22 -11.660 -5.574 -1.597 1.00 0.00 C ATOM 346 C LEU A 22 -12.957 -5.588 -0.815 1.00 0.00 C ATOM 347 O LEU A 22 -13.005 -5.052 0.267 1.00 0.00 O ATOM 348 CB LEU A 22 -11.839 -4.471 -2.597 1.00 0.00 C ATOM 349 CG LEU A 22 -10.681 -4.227 -3.539 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.823 -2.756 -3.931 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.289 -4.476 -2.930 1.00 0.00 C ATOM 0 H LEU A 22 -11.713 -6.985 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.796 -5.397 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.725 -4.690 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.040 -3.547 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.731 -4.927 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.022 -2.484 -4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.786 -2.600 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.763 -2.134 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.523 -4.275 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.142 -3.816 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.215 -5.513 -2.604 1.00 0.00 H new ATOM 363 N GLY A 23 -13.967 -6.183 -1.415 1.00 0.00 N ATOM 364 CA GLY A 23 -15.308 -6.255 -0.745 1.00 0.00 C ATOM 365 C GLY A 23 -15.471 -7.567 0.003 1.00 0.00 C ATOM 366 O GLY A 23 -16.563 -8.078 0.149 1.00 0.00 O ATOM 0 H GLY A 23 -13.920 -6.620 -2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.418 -5.421 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.097 -6.156 -1.490 1.00 0.00 H new ATOM 370 N ALA A 24 -14.360 -8.064 0.471 1.00 0.00 N ATOM 371 CA ALA A 24 -14.340 -9.344 1.233 1.00 0.00 C ATOM 372 C ALA A 24 -14.541 -9.044 2.765 1.00 0.00 C ATOM 373 O ALA A 24 -14.001 -8.074 3.277 1.00 0.00 O ATOM 374 CB ALA A 24 -12.974 -10.008 0.886 1.00 0.00 C ATOM 0 H ALA A 24 -13.446 -7.627 0.355 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.147 -10.028 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.887 -10.958 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.916 -10.182 -0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.161 -9.349 1.191 1.00 0.00 H new ATOM 380 N PRO A 25 -15.313 -9.879 3.434 1.00 0.00 N ATOM 381 CA PRO A 25 -15.862 -9.612 4.796 1.00 0.00 C ATOM 382 C PRO A 25 -14.944 -8.848 5.786 1.00 0.00 C ATOM 383 O PRO A 25 -15.286 -7.789 6.272 1.00 0.00 O ATOM 384 CB PRO A 25 -16.266 -11.014 5.345 1.00 0.00 C ATOM 385 CG PRO A 25 -15.909 -12.035 4.221 1.00 0.00 C ATOM 386 CD PRO A 25 -15.743 -11.217 2.933 1.00 0.00 C ATOM 0 HA PRO A 25 -16.695 -8.915 4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.728 -11.243 6.265 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.330 -11.049 5.581 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.992 -12.573 4.461 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.696 -12.781 4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.999 -11.657 2.269 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.675 -11.156 2.371 1.00 0.00 H new ATOM 394 N ALA A 26 -13.803 -9.423 6.064 1.00 0.00 N ATOM 395 CA ALA A 26 -12.802 -8.813 7.006 1.00 0.00 C ATOM 396 C ALA A 26 -11.767 -7.859 6.317 1.00 0.00 C ATOM 397 O ALA A 26 -10.689 -7.639 6.837 1.00 0.00 O ATOM 398 CB ALA A 26 -12.111 -10.010 7.721 1.00 0.00 C ATOM 0 H ALA A 26 -13.511 -10.316 5.668 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.312 -8.156 7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.367 -9.634 8.424 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.858 -10.592 8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.623 -10.643 6.980 1.00 0.00 H new ATOM 404 N VAL A 27 -12.125 -7.329 5.179 1.00 0.00 N ATOM 405 CA VAL A 27 -11.220 -6.403 4.431 1.00 0.00 C ATOM 406 C VAL A 27 -11.855 -5.040 4.165 1.00 0.00 C ATOM 407 O VAL A 27 -11.387 -4.007 4.582 1.00 0.00 O ATOM 408 CB VAL A 27 -10.865 -6.996 3.055 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.755 -6.134 2.401 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.349 -8.457 3.195 1.00 0.00 C ATOM 0 H VAL A 27 -13.023 -7.501 4.726 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.340 -6.279 5.063 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.763 -6.998 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.499 -6.549 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.113 -5.112 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.871 -6.134 3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.105 -8.853 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.457 -8.469 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.123 -9.074 3.652 1.00 0.00 H new ATOM 420 N SER A 28 -12.940 -5.137 3.455 1.00 0.00 N ATOM 421 CA SER A 28 -13.763 -3.963 3.024 1.00 0.00 C ATOM 422 C SER A 28 -12.956 -2.643 2.780 1.00 0.00 C ATOM 423 O SER A 28 -12.888 -1.802 3.656 1.00 0.00 O ATOM 424 CB SER A 28 -14.873 -3.712 4.090 1.00 0.00 C ATOM 425 OG SER A 28 -14.175 -3.446 5.305 1.00 0.00 O ATOM 0 H SER A 28 -13.314 -6.031 3.136 1.00 0.00 H new ATOM 0 HA SER A 28 -14.183 -4.224 2.053 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.506 -2.871 3.808 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.524 -4.580 4.192 1.00 0.00 H new ATOM 0 HG SER A 28 -13.479 -2.775 5.142 1.00 0.00 H new ATOM 431 N ALA A 29 -12.369 -2.514 1.614 1.00 0.00 N ATOM 432 CA ALA A 29 -11.553 -1.298 1.251 1.00 0.00 C ATOM 433 C ALA A 29 -12.206 -0.047 0.587 1.00 0.00 C ATOM 434 O ALA A 29 -13.100 -0.138 -0.234 1.00 0.00 O ATOM 435 CB ALA A 29 -10.415 -1.786 0.351 1.00 0.00 C ATOM 0 H ALA A 29 -12.420 -3.216 0.876 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.281 -0.892 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.793 -0.940 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.809 -2.512 0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.832 -2.254 -0.541 1.00 0.00 H new ATOM 441 N TYR A 30 -11.685 1.091 0.989 1.00 0.00 N ATOM 442 CA TYR A 30 -12.127 2.432 0.492 1.00 0.00 C ATOM 443 C TYR A 30 -13.040 2.577 -0.725 1.00 0.00 C ATOM 444 O TYR A 30 -14.204 2.893 -0.573 1.00 0.00 O ATOM 445 CB TYR A 30 -10.869 3.342 0.205 1.00 0.00 C ATOM 446 CG TYR A 30 -10.908 4.614 1.071 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.095 5.316 1.198 1.00 0.00 C ATOM 448 CD2 TYR A 30 -9.791 5.090 1.719 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.149 6.465 1.960 1.00 0.00 C ATOM 450 CE2 TYR A 30 -9.851 6.241 2.482 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.030 6.928 2.602 1.00 0.00 C ATOM 452 OH TYR A 30 -11.094 8.076 3.353 1.00 0.00 O ATOM 0 H TYR A 30 -10.933 1.142 1.677 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.766 2.722 1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.956 2.784 0.411 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.845 3.615 -0.850 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.984 4.962 0.697 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.856 4.557 1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.080 7.004 2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.965 6.600 2.985 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.318 8.641 3.154 1.00 0.00 H new ATOM 462 N CYS A 31 -12.491 2.335 -1.889 1.00 0.00 N ATOM 463 CA CYS A 31 -13.313 2.468 -3.141 1.00 0.00 C ATOM 464 C CYS A 31 -13.908 1.155 -3.664 1.00 0.00 C ATOM 465 O CYS A 31 -14.333 1.073 -4.808 1.00 0.00 O ATOM 466 CB CYS A 31 -12.442 3.074 -4.240 1.00 0.00 C ATOM 467 SG CYS A 31 -11.256 4.381 -3.854 1.00 0.00 S ATOM 0 H CYS A 31 -11.521 2.054 -2.031 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.158 3.104 -2.877 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.883 2.256 -4.695 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.114 3.465 -5.004 1.00 0.00 H new ATOM 472 N ALA A 32 -13.949 0.145 -2.829 1.00 0.00 N ATOM 473 CA ALA A 32 -14.525 -1.164 -3.269 1.00 0.00 C ATOM 474 C ALA A 32 -15.936 -0.885 -3.846 1.00 0.00 C ATOM 475 O ALA A 32 -16.438 -1.633 -4.648 1.00 0.00 O ATOM 476 CB ALA A 32 -14.552 -2.102 -2.027 1.00 0.00 C ATOM 0 H ALA A 32 -13.611 0.170 -1.867 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.938 -1.653 -4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.967 -3.069 -2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.538 -2.238 -1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.170 -1.656 -1.248 1.00 0.00 H new ATOM 482 N THR A 33 -16.511 0.204 -3.410 1.00 0.00 N ATOM 483 CA THR A 33 -17.880 0.683 -3.830 1.00 0.00 C ATOM 484 C THR A 33 -17.947 1.351 -5.218 1.00 0.00 C ATOM 485 O THR A 33 -18.947 1.278 -5.908 1.00 0.00 O ATOM 486 CB THR A 33 -18.380 1.716 -2.816 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.292 1.056 -1.565 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.870 1.991 -2.910 1.00 0.00 C ATOM 0 H THR A 33 -16.063 0.825 -2.736 1.00 0.00 H new ATOM 0 HA THR A 33 -18.492 -0.218 -3.876 1.00 0.00 H new ATOM 0 HB THR A 33 -17.812 2.634 -2.968 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.596 1.659 -0.855 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.151 2.732 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.108 2.370 -3.904 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.422 1.068 -2.732 1.00 0.00 H new ATOM 496 N TRP A 34 -16.866 1.984 -5.585 1.00 0.00 N ATOM 497 CA TRP A 34 -16.764 2.710 -6.893 1.00 0.00 C ATOM 498 C TRP A 34 -15.862 2.092 -7.973 1.00 0.00 C ATOM 499 O TRP A 34 -16.085 2.328 -9.147 1.00 0.00 O ATOM 500 CB TRP A 34 -16.339 4.140 -6.476 1.00 0.00 C ATOM 501 CG TRP A 34 -17.457 4.670 -5.560 1.00 0.00 C ATOM 502 CD1 TRP A 34 -18.789 4.697 -5.862 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.280 5.154 -4.318 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.324 5.197 -4.764 1.00 0.00 N ATOM 505 CE2 TRP A 34 -18.493 5.502 -3.779 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.117 5.321 -3.597 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -18.551 6.020 -2.505 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.166 5.842 -2.316 1.00 0.00 C ATOM 509 CH2 TRP A 34 -17.389 6.190 -1.770 1.00 0.00 C ATOM 0 H TRP A 34 -16.020 2.032 -5.017 1.00 0.00 H new ATOM 0 HA TRP A 34 -17.717 2.666 -7.420 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.382 4.125 -5.954 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.215 4.780 -7.350 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.281 4.387 -6.772 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.330 5.342 -4.678 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.168 5.045 -4.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -19.504 6.294 -2.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.258 5.976 -1.747 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -17.438 6.595 -0.770 1.00 0.00 H new ATOM 520 N ASP A 35 -14.879 1.328 -7.586 1.00 0.00 N ATOM 521 CA ASP A 35 -13.975 0.700 -8.596 1.00 0.00 C ATOM 522 C ASP A 35 -14.252 -0.779 -8.819 1.00 0.00 C ATOM 523 O ASP A 35 -14.075 -1.251 -9.928 1.00 0.00 O ATOM 524 CB ASP A 35 -12.579 0.966 -8.104 1.00 0.00 C ATOM 525 CG ASP A 35 -12.424 2.463 -8.229 1.00 0.00 C ATOM 526 OD1 ASP A 35 -12.107 2.829 -9.346 1.00 0.00 O ATOM 527 OD2 ASP A 35 -12.636 3.138 -7.249 1.00 0.00 O ATOM 0 H ASP A 35 -14.660 1.110 -6.614 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.138 1.132 -9.583 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.450 0.637 -7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.838 0.437 -8.703 1.00 0.00 H new ATOM 532 N ALA A 36 -14.677 -1.466 -7.785 1.00 0.00 N ATOM 533 CA ALA A 36 -14.981 -2.929 -7.921 1.00 0.00 C ATOM 534 C ALA A 36 -15.744 -3.212 -9.233 1.00 0.00 C ATOM 535 O ALA A 36 -15.469 -4.211 -9.862 1.00 0.00 O ATOM 536 CB ALA A 36 -15.786 -3.351 -6.706 1.00 0.00 C ATOM 0 H ALA A 36 -14.827 -1.079 -6.853 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.057 -3.506 -7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.022 -4.413 -6.777 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.204 -3.168 -5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.711 -2.775 -6.664 1.00 0.00 H new ATOM 542 N SER A 37 -16.655 -2.358 -9.621 1.00 0.00 N ATOM 543 CA SER A 37 -17.433 -2.555 -10.898 1.00 0.00 C ATOM 544 C SER A 37 -16.528 -2.786 -12.132 1.00 0.00 C ATOM 545 O SER A 37 -16.911 -3.503 -13.033 1.00 0.00 O ATOM 546 CB SER A 37 -18.325 -1.316 -11.193 1.00 0.00 C ATOM 547 OG SER A 37 -17.432 -0.234 -11.456 1.00 0.00 O ATOM 0 H SER A 37 -16.903 -1.515 -9.103 1.00 0.00 H new ATOM 0 HA SER A 37 -18.037 -3.448 -10.737 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.976 -1.500 -12.048 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.970 -1.090 -10.344 1.00 0.00 H new ATOM 0 HG SER A 37 -17.948 0.576 -11.651 1.00 0.00 H new ATOM 553 N LYS A 38 -15.356 -2.183 -12.149 1.00 0.00 N ATOM 554 CA LYS A 38 -14.443 -2.373 -13.334 1.00 0.00 C ATOM 555 C LYS A 38 -14.060 -3.864 -13.500 1.00 0.00 C ATOM 556 O LYS A 38 -14.262 -4.654 -12.594 1.00 0.00 O ATOM 557 CB LYS A 38 -13.121 -1.503 -13.161 1.00 0.00 C ATOM 558 CG LYS A 38 -13.340 0.021 -13.398 1.00 0.00 C ATOM 559 CD LYS A 38 -14.391 0.614 -12.408 1.00 0.00 C ATOM 560 CE LYS A 38 -14.346 2.139 -12.344 1.00 0.00 C ATOM 561 NZ LYS A 38 -13.069 2.534 -11.665 1.00 0.00 N ATOM 0 H LYS A 38 -14.996 -1.579 -11.410 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.978 -2.044 -14.225 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.727 -1.653 -12.156 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.364 -1.865 -13.857 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.393 0.547 -13.281 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.672 0.186 -14.423 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.389 0.297 -12.711 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.216 0.207 -11.412 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.393 2.565 -13.346 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.205 2.523 -11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.647 3.343 -12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.268 2.799 -10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.405 1.733 -11.681 1.00 0.00 H new ATOM 575 N PRO A 39 -13.535 -4.215 -14.652 1.00 0.00 N ATOM 576 CA PRO A 39 -12.957 -5.566 -14.850 1.00 0.00 C ATOM 577 C PRO A 39 -11.566 -5.780 -14.220 1.00 0.00 C ATOM 578 O PRO A 39 -11.057 -5.008 -13.419 1.00 0.00 O ATOM 579 CB PRO A 39 -13.007 -5.719 -16.390 1.00 0.00 C ATOM 580 CG PRO A 39 -12.735 -4.281 -16.902 1.00 0.00 C ATOM 581 CD PRO A 39 -13.475 -3.371 -15.893 1.00 0.00 C ATOM 0 HA PRO A 39 -13.512 -6.345 -14.327 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.255 -6.422 -16.749 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.976 -6.089 -16.726 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.667 -4.062 -16.926 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.112 -4.141 -17.915 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.937 -2.439 -15.721 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.471 -3.103 -16.247 1.00 0.00 H new ATOM 589 N LEU A 40 -10.999 -6.884 -14.616 1.00 0.00 N ATOM 590 CA LEU A 40 -9.667 -7.253 -14.123 1.00 0.00 C ATOM 591 C LEU A 40 -8.606 -6.668 -15.020 1.00 0.00 C ATOM 592 O LEU A 40 -7.658 -6.090 -14.534 1.00 0.00 O ATOM 593 CB LEU A 40 -9.622 -8.774 -14.091 1.00 0.00 C ATOM 594 CG LEU A 40 -10.313 -9.367 -12.844 1.00 0.00 C ATOM 595 CD1 LEU A 40 -9.770 -8.682 -11.572 1.00 0.00 C ATOM 596 CD2 LEU A 40 -11.819 -9.091 -12.907 1.00 0.00 C ATOM 0 H LEU A 40 -11.416 -7.547 -15.269 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.476 -6.858 -13.125 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.102 -9.166 -14.988 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.583 -9.103 -14.116 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.118 -10.439 -12.818 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.260 -9.103 -10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.695 -8.846 -11.501 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.971 -7.612 -11.621 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.303 -9.511 -12.025 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.991 -8.015 -12.937 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.236 -9.550 -13.803 1.00 0.00 H new ATOM 608 N SER A 41 -8.759 -6.824 -16.307 1.00 0.00 N ATOM 609 CA SER A 41 -7.728 -6.251 -17.238 1.00 0.00 C ATOM 610 C SER A 41 -7.233 -4.876 -16.758 1.00 0.00 C ATOM 611 O SER A 41 -6.085 -4.742 -16.397 1.00 0.00 O ATOM 612 CB SER A 41 -8.316 -6.108 -18.639 1.00 0.00 C ATOM 613 OG SER A 41 -7.205 -5.529 -19.311 1.00 0.00 O ATOM 0 H SER A 41 -9.535 -7.312 -16.754 1.00 0.00 H new ATOM 0 HA SER A 41 -6.881 -6.936 -17.253 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.610 -7.066 -19.068 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.197 -5.466 -18.659 1.00 0.00 H new ATOM 0 HG SER A 41 -7.435 -5.375 -20.251 1.00 0.00 H new ATOM 619 N TRP A 42 -8.100 -3.893 -16.749 1.00 0.00 N ATOM 620 CA TRP A 42 -7.626 -2.540 -16.283 1.00 0.00 C ATOM 621 C TRP A 42 -6.991 -2.568 -14.864 1.00 0.00 C ATOM 622 O TRP A 42 -5.826 -2.241 -14.715 1.00 0.00 O ATOM 623 CB TRP A 42 -8.812 -1.558 -16.291 1.00 0.00 C ATOM 624 CG TRP A 42 -8.285 -0.164 -15.928 1.00 0.00 C ATOM 625 CD1 TRP A 42 -7.545 0.610 -16.757 1.00 0.00 C ATOM 626 CD2 TRP A 42 -8.471 0.488 -14.768 1.00 0.00 C ATOM 627 NE1 TRP A 42 -7.324 1.698 -16.041 1.00 0.00 N ATOM 628 CE2 TRP A 42 -7.847 1.719 -14.818 1.00 0.00 C ATOM 629 CE3 TRP A 42 -9.165 0.080 -13.646 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -7.932 2.549 -13.720 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.248 0.906 -12.553 1.00 0.00 C ATOM 632 CH2 TRP A 42 -8.632 2.143 -12.592 1.00 0.00 C ATOM 0 H TRP A 42 -9.078 -3.955 -17.031 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.846 -2.219 -16.973 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.285 -1.541 -17.273 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.572 -1.875 -15.577 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.215 0.391 -17.762 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.781 2.480 -16.407 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.642 -0.889 -13.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.453 3.517 -13.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -9.789 0.593 -11.672 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -8.696 2.800 -11.737 1.00 0.00 H new ATOM 643 N ARG A 43 -7.786 -2.953 -13.878 1.00 0.00 N ATOM 644 CA ARG A 43 -7.306 -3.034 -12.449 1.00 0.00 C ATOM 645 C ARG A 43 -5.934 -3.729 -12.275 1.00 0.00 C ATOM 646 O ARG A 43 -5.150 -3.329 -11.439 1.00 0.00 O ATOM 647 CB ARG A 43 -8.363 -3.779 -11.576 1.00 0.00 C ATOM 648 CG ARG A 43 -9.478 -2.815 -11.048 1.00 0.00 C ATOM 649 CD ARG A 43 -10.333 -3.589 -10.027 1.00 0.00 C ATOM 650 NE ARG A 43 -11.250 -4.463 -10.845 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.506 -4.471 -10.621 1.00 0.00 C ATOM 652 NH1 ARG A 43 -13.094 -3.360 -10.608 1.00 0.00 N ATOM 653 NH2 ARG A 43 -13.156 -5.539 -10.427 1.00 0.00 N ATOM 0 H ARG A 43 -8.762 -3.218 -14.008 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.177 -2.002 -12.124 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.821 -4.575 -12.163 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.865 -4.253 -10.731 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.032 -1.936 -10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.097 -2.461 -11.872 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.707 -4.188 -9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.902 -2.907 -9.395 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.863 -5.052 -11.583 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.567 -2.502 -10.772 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.098 -3.316 -10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.676 -6.439 -10.446 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.160 -5.500 -10.251 1.00 0.00 H new ATOM 667 N SER A 44 -5.701 -4.769 -13.034 1.00 0.00 N ATOM 668 CA SER A 44 -4.377 -5.481 -12.928 1.00 0.00 C ATOM 669 C SER A 44 -3.403 -4.665 -13.824 1.00 0.00 C ATOM 670 O SER A 44 -2.367 -4.237 -13.359 1.00 0.00 O ATOM 671 CB SER A 44 -4.553 -6.911 -13.444 1.00 0.00 C ATOM 672 OG SER A 44 -5.001 -6.692 -14.776 1.00 0.00 O ATOM 0 H SER A 44 -6.354 -5.157 -13.715 1.00 0.00 H new ATOM 0 HA SER A 44 -3.997 -5.546 -11.909 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.620 -7.473 -13.415 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.280 -7.470 -12.856 1.00 0.00 H new ATOM 0 HG SER A 44 -5.978 -6.613 -14.784 1.00 0.00 H new ATOM 678 N LYS A 45 -3.751 -4.469 -15.082 1.00 0.00 N ATOM 679 CA LYS A 45 -2.940 -3.688 -16.103 1.00 0.00 C ATOM 680 C LYS A 45 -2.142 -2.573 -15.431 1.00 0.00 C ATOM 681 O LYS A 45 -0.942 -2.472 -15.614 1.00 0.00 O ATOM 682 CB LYS A 45 -3.902 -3.075 -17.175 1.00 0.00 C ATOM 683 CG LYS A 45 -3.124 -1.994 -17.979 1.00 0.00 C ATOM 684 CD LYS A 45 -3.991 -1.376 -19.129 1.00 0.00 C ATOM 685 CE LYS A 45 -4.002 0.200 -19.099 1.00 0.00 C ATOM 686 NZ LYS A 45 -2.624 0.699 -18.779 1.00 0.00 N ATOM 0 H LYS A 45 -4.618 -4.841 -15.469 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.238 -4.370 -16.582 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.268 -3.854 -17.844 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.774 -2.633 -16.693 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.802 -1.202 -17.303 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.223 -2.437 -18.403 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.607 -1.715 -20.091 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.013 -1.745 -19.046 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.328 0.591 -20.063 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.713 0.556 -18.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.465 1.609 -19.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.531 0.827 -17.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.920 0.008 -19.107 1.00 0.00 H new ATOM 700 N TYR A 46 -2.895 -1.788 -14.705 1.00 0.00 N ATOM 701 CA TYR A 46 -2.354 -0.634 -13.937 1.00 0.00 C ATOM 702 C TYR A 46 -2.473 -0.926 -12.450 1.00 0.00 C ATOM 703 O TYR A 46 -3.539 -1.239 -11.964 1.00 0.00 O ATOM 704 CB TYR A 46 -3.149 0.663 -14.239 1.00 0.00 C ATOM 705 CG TYR A 46 -2.207 1.728 -14.827 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.319 1.476 -15.858 1.00 0.00 C ATOM 707 CD2 TYR A 46 -2.244 2.991 -14.267 1.00 0.00 C ATOM 708 CE1 TYR A 46 -0.480 2.487 -16.311 1.00 0.00 C ATOM 709 CE2 TYR A 46 -1.409 3.983 -14.723 1.00 0.00 C ATOM 710 CZ TYR A 46 -0.520 3.742 -15.743 1.00 0.00 C ATOM 711 OH TYR A 46 0.324 4.750 -16.157 1.00 0.00 O ATOM 0 H TYR A 46 -3.904 -1.908 -14.612 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.314 -0.491 -14.229 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.956 0.451 -14.941 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.611 1.038 -13.326 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.278 0.496 -16.310 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.935 3.200 -13.464 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.211 2.287 -17.117 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.452 4.964 -14.274 1.00 0.00 H new ATOM 0 HH TYR A 46 0.006 5.608 -15.806 1.00 0.00 H new ATOM 721 N GLY A 47 -1.371 -0.792 -11.774 1.00 0.00 N ATOM 722 CA GLY A 47 -1.363 -1.058 -10.291 1.00 0.00 C ATOM 723 C GLY A 47 -2.410 -0.227 -9.519 1.00 0.00 C ATOM 724 O GLY A 47 -2.848 0.819 -9.947 1.00 0.00 O ATOM 0 H GLY A 47 -0.474 -0.512 -12.171 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.550 -2.118 -10.117 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.371 -0.840 -9.895 1.00 0.00 H new ATOM 728 N TRP A 48 -2.775 -0.715 -8.365 1.00 0.00 N ATOM 729 CA TRP A 48 -3.799 -0.025 -7.479 1.00 0.00 C ATOM 730 C TRP A 48 -3.584 -0.306 -5.974 1.00 0.00 C ATOM 731 O TRP A 48 -4.404 -0.936 -5.347 1.00 0.00 O ATOM 732 CB TRP A 48 -5.232 -0.496 -8.041 1.00 0.00 C ATOM 733 CG TRP A 48 -5.596 -1.870 -7.529 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.638 -2.784 -7.252 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.814 -2.349 -7.196 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.323 -3.797 -6.739 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.620 -3.593 -6.676 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.124 -1.873 -7.268 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.649 -4.338 -6.226 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.187 -2.659 -6.805 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.939 -3.911 -6.276 1.00 0.00 C ATOM 0 H TRP A 48 -2.406 -1.583 -7.977 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.709 1.060 -7.527 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.996 0.221 -7.741 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.213 -0.505 -9.131 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.572 -2.707 -7.410 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.882 -4.660 -6.421 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.319 -0.895 -7.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.441 -5.312 -5.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.199 -2.287 -6.861 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.745 -4.532 -5.913 1.00 0.00 H new ATOM 752 N THR A 49 -2.533 0.194 -5.370 1.00 0.00 N ATOM 753 CA THR A 49 -2.381 -0.160 -3.916 1.00 0.00 C ATOM 754 C THR A 49 -3.218 0.635 -2.879 1.00 0.00 C ATOM 755 O THR A 49 -4.310 1.117 -3.150 1.00 0.00 O ATOM 756 CB THR A 49 -0.839 -0.095 -3.586 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.375 1.244 -3.587 1.00 0.00 O ATOM 758 CG2 THR A 49 0.031 -0.735 -4.720 1.00 0.00 C ATOM 0 H THR A 49 -1.816 0.792 -5.781 1.00 0.00 H new ATOM 0 HA THR A 49 -2.806 -1.157 -3.803 1.00 0.00 H new ATOM 0 HB THR A 49 -0.742 -0.603 -2.627 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.604 1.251 -3.538 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.085 -0.668 -4.451 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.246 -1.782 -4.844 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.140 -0.201 -5.655 1.00 0.00 H new ATOM 766 N ALA A 50 -2.708 0.745 -1.684 1.00 0.00 N ATOM 767 CA ALA A 50 -3.456 1.479 -0.621 1.00 0.00 C ATOM 768 C ALA A 50 -2.796 2.771 -0.176 1.00 0.00 C ATOM 769 O ALA A 50 -1.703 3.130 -0.571 1.00 0.00 O ATOM 770 CB ALA A 50 -3.581 0.493 0.546 1.00 0.00 C ATOM 0 H ALA A 50 -1.808 0.360 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.423 1.800 -1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.122 0.966 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.124 -0.393 0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.587 0.204 0.886 1.00 0.00 H new ATOM 776 N PHE A 51 -3.495 3.473 0.658 1.00 0.00 N ATOM 777 CA PHE A 51 -2.931 4.748 1.175 1.00 0.00 C ATOM 778 C PHE A 51 -1.921 4.423 2.309 1.00 0.00 C ATOM 779 O PHE A 51 -2.298 4.394 3.466 1.00 0.00 O ATOM 780 CB PHE A 51 -4.114 5.613 1.685 1.00 0.00 C ATOM 781 CG PHE A 51 -3.632 6.693 2.683 1.00 0.00 C ATOM 782 CD1 PHE A 51 -2.438 7.380 2.532 1.00 0.00 C ATOM 783 CD2 PHE A 51 -4.418 6.977 3.776 1.00 0.00 C ATOM 784 CE1 PHE A 51 -2.051 8.328 3.460 1.00 0.00 C ATOM 785 CE2 PHE A 51 -4.030 7.923 4.700 1.00 0.00 C ATOM 786 CZ PHE A 51 -2.847 8.600 4.545 1.00 0.00 C ATOM 0 H PHE A 51 -4.423 3.227 1.004 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.397 5.301 0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.609 6.091 0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.853 4.974 2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.805 7.173 1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.352 6.451 3.912 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.118 8.857 3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.661 8.133 5.551 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.544 9.341 5.270 1.00 0.00 H new ATOM 796 N CYS A 52 -0.682 4.163 1.953 1.00 0.00 N ATOM 797 CA CYS A 52 0.345 3.852 3.017 1.00 0.00 C ATOM 798 C CYS A 52 1.546 4.823 2.942 1.00 0.00 C ATOM 799 O CYS A 52 2.712 4.475 2.976 1.00 0.00 O ATOM 800 CB CYS A 52 0.793 2.386 2.840 1.00 0.00 C ATOM 801 SG CYS A 52 0.995 1.556 4.433 1.00 0.00 S ATOM 0 H CYS A 52 -0.337 4.151 0.993 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.096 3.984 4.005 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.057 1.850 2.240 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.734 2.356 2.291 1.00 0.00 H new ATOM 806 N GLY A 53 1.155 6.068 2.838 1.00 0.00 N ATOM 807 CA GLY A 53 2.123 7.223 2.747 1.00 0.00 C ATOM 808 C GLY A 53 1.501 8.569 3.190 1.00 0.00 C ATOM 809 O GLY A 53 0.867 9.195 2.357 1.00 0.00 O ATOM 0 H GLY A 53 0.175 6.348 2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.994 7.010 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.477 7.313 1.720 1.00 0.00 H new ATOM 813 N PRO A 54 1.657 8.995 4.427 1.00 0.00 N ATOM 814 CA PRO A 54 1.208 10.356 4.884 1.00 0.00 C ATOM 815 C PRO A 54 2.161 11.522 4.501 1.00 0.00 C ATOM 816 O PRO A 54 1.988 12.644 4.933 1.00 0.00 O ATOM 817 CB PRO A 54 1.052 10.203 6.423 1.00 0.00 C ATOM 818 CG PRO A 54 1.289 8.671 6.692 1.00 0.00 C ATOM 819 CD PRO A 54 2.237 8.224 5.563 1.00 0.00 C ATOM 0 HA PRO A 54 0.284 10.644 4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.776 10.817 6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.062 10.516 6.755 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.734 8.504 7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.352 8.114 6.668 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.276 8.488 5.760 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.209 7.147 5.395 1.00 0.00 H new ATOM 827 N ALA A 55 3.140 11.282 3.681 1.00 0.00 N ATOM 828 CA ALA A 55 4.087 12.388 3.305 1.00 0.00 C ATOM 829 C ALA A 55 3.587 13.377 2.211 1.00 0.00 C ATOM 830 O ALA A 55 4.235 13.646 1.215 1.00 0.00 O ATOM 831 CB ALA A 55 5.368 11.673 2.885 1.00 0.00 C ATOM 0 H ALA A 55 3.334 10.377 3.252 1.00 0.00 H new ATOM 0 HA ALA A 55 4.217 13.055 4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.117 12.409 2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.746 11.083 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.158 11.015 2.041 1.00 0.00 H new ATOM 837 N GLY A 56 2.430 13.917 2.471 1.00 0.00 N ATOM 838 CA GLY A 56 1.763 14.903 1.538 1.00 0.00 C ATOM 839 C GLY A 56 0.256 14.646 1.413 1.00 0.00 C ATOM 840 O GLY A 56 -0.216 13.574 1.736 1.00 0.00 O ATOM 0 H GLY A 56 1.893 13.717 3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.929 15.917 1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.225 14.839 0.553 1.00 0.00 H new ATOM 844 N PRO A 57 -0.478 15.625 0.941 1.00 0.00 N ATOM 845 CA PRO A 57 -1.952 15.658 1.180 1.00 0.00 C ATOM 846 C PRO A 57 -2.867 14.589 0.497 1.00 0.00 C ATOM 847 O PRO A 57 -3.244 14.651 -0.670 1.00 0.00 O ATOM 848 CB PRO A 57 -2.291 17.115 0.798 1.00 0.00 C ATOM 849 CG PRO A 57 -1.298 17.395 -0.370 1.00 0.00 C ATOM 850 CD PRO A 57 0.019 16.782 0.137 1.00 0.00 C ATOM 0 HA PRO A 57 -2.174 15.368 2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.329 17.221 0.483 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.140 17.799 1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.627 16.930 -1.299 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.197 18.462 -0.566 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.665 16.465 -0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.592 17.485 0.741 1.00 0.00 H new ATOM 858 N ARG A 58 -3.185 13.617 1.318 1.00 0.00 N ATOM 859 CA ARG A 58 -4.062 12.462 0.951 1.00 0.00 C ATOM 860 C ARG A 58 -4.793 11.892 2.230 1.00 0.00 C ATOM 861 O ARG A 58 -4.446 12.221 3.346 1.00 0.00 O ATOM 862 CB ARG A 58 -3.104 11.460 0.214 1.00 0.00 C ATOM 863 CG ARG A 58 -3.304 10.006 0.688 1.00 0.00 C ATOM 864 CD ARG A 58 -2.487 9.035 -0.161 1.00 0.00 C ATOM 865 NE ARG A 58 -1.016 9.227 0.125 1.00 0.00 N ATOM 866 CZ ARG A 58 -0.082 9.221 -0.768 1.00 0.00 C ATOM 867 NH1 ARG A 58 -0.337 9.286 -2.018 1.00 0.00 N ATOM 868 NH2 ARG A 58 1.111 9.143 -0.349 1.00 0.00 N ATOM 0 H ARG A 58 -2.851 13.579 2.281 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.890 12.718 0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.278 11.517 -0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.069 11.757 0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.009 9.917 1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.360 9.744 0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.780 8.008 0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.687 9.204 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.739 9.372 1.096 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.303 9.345 -2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.426 9.279 -2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.297 9.089 0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.885 9.135 -1.013 1.00 0.00 H new ATOM 882 N GLY A 59 -5.783 11.051 2.038 1.00 0.00 N ATOM 883 CA GLY A 59 -6.574 10.435 3.179 1.00 0.00 C ATOM 884 C GLY A 59 -8.111 10.509 3.003 1.00 0.00 C ATOM 885 O GLY A 59 -8.795 9.509 3.098 1.00 0.00 O ATOM 0 H GLY A 59 -6.092 10.751 1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.282 9.390 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.302 10.938 4.107 1.00 0.00 H new ATOM 889 N GLN A 60 -8.605 11.702 2.755 1.00 0.00 N ATOM 890 CA GLN A 60 -10.091 11.939 2.553 1.00 0.00 C ATOM 891 C GLN A 60 -10.522 11.631 1.081 1.00 0.00 C ATOM 892 O GLN A 60 -10.912 10.532 0.739 1.00 0.00 O ATOM 893 CB GLN A 60 -10.428 13.446 2.880 1.00 0.00 C ATOM 894 CG GLN A 60 -10.261 13.851 4.382 1.00 0.00 C ATOM 895 CD GLN A 60 -10.456 15.375 4.580 1.00 0.00 C ATOM 896 OE1 GLN A 60 -10.470 15.888 5.675 1.00 0.00 O ATOM 897 NE2 GLN A 60 -10.610 16.171 3.568 1.00 0.00 N ATOM 0 H GLN A 60 -8.035 12.545 2.681 1.00 0.00 H new ATOM 0 HA GLN A 60 -10.635 11.271 3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.787 14.086 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.456 13.646 2.578 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.985 13.308 4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.270 13.561 4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.607 15.796 2.619 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.734 17.172 3.721 1.00 0.00 H new ATOM 906 N ALA A 61 -10.431 12.612 0.224 1.00 0.00 N ATOM 907 CA ALA A 61 -10.818 12.433 -1.203 1.00 0.00 C ATOM 908 C ALA A 61 -9.571 11.958 -1.966 1.00 0.00 C ATOM 909 O ALA A 61 -9.075 12.576 -2.889 1.00 0.00 O ATOM 910 CB ALA A 61 -11.358 13.799 -1.684 1.00 0.00 C ATOM 0 H ALA A 61 -10.098 13.547 0.459 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.594 11.685 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.658 13.724 -2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.219 14.083 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.579 14.554 -1.583 1.00 0.00 H new ATOM 916 N ALA A 62 -9.100 10.827 -1.527 1.00 0.00 N ATOM 917 CA ALA A 62 -7.880 10.215 -2.157 1.00 0.00 C ATOM 918 C ALA A 62 -8.206 9.184 -3.256 1.00 0.00 C ATOM 919 O ALA A 62 -7.330 8.792 -4.006 1.00 0.00 O ATOM 920 CB ALA A 62 -7.067 9.577 -1.028 1.00 0.00 C ATOM 0 H ALA A 62 -9.502 10.292 -0.757 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.315 10.995 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.168 9.119 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.785 10.343 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.668 8.815 -0.533 1.00 0.00 H new ATOM 926 N CYS A 63 -9.446 8.792 -3.344 1.00 0.00 N ATOM 927 CA CYS A 63 -9.881 7.791 -4.374 1.00 0.00 C ATOM 928 C CYS A 63 -9.843 8.362 -5.840 1.00 0.00 C ATOM 929 O CYS A 63 -10.598 7.991 -6.717 1.00 0.00 O ATOM 930 CB CYS A 63 -11.294 7.352 -3.924 1.00 0.00 C ATOM 931 SG CYS A 63 -11.993 5.972 -4.851 1.00 0.00 S ATOM 0 H CYS A 63 -10.194 9.126 -2.737 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.199 6.942 -4.426 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.255 7.079 -2.869 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.967 8.205 -4.008 1.00 0.00 H new ATOM 936 N GLY A 64 -8.934 9.284 -6.044 1.00 0.00 N ATOM 937 CA GLY A 64 -8.683 9.980 -7.345 1.00 0.00 C ATOM 938 C GLY A 64 -7.183 10.286 -7.512 1.00 0.00 C ATOM 939 O GLY A 64 -6.818 10.996 -8.430 1.00 0.00 O ATOM 0 H GLY A 64 -8.311 9.603 -5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.027 9.356 -8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.256 10.906 -7.385 1.00 0.00 H new ATOM 943 N LYS A 65 -6.353 9.754 -6.630 1.00 0.00 N ATOM 944 CA LYS A 65 -4.888 10.022 -6.751 1.00 0.00 C ATOM 945 C LYS A 65 -4.090 8.723 -6.943 1.00 0.00 C ATOM 946 O LYS A 65 -4.402 7.682 -6.398 1.00 0.00 O ATOM 947 CB LYS A 65 -4.391 10.756 -5.460 1.00 0.00 C ATOM 948 CG LYS A 65 -5.122 12.113 -5.298 1.00 0.00 C ATOM 949 CD LYS A 65 -4.456 12.973 -4.170 1.00 0.00 C ATOM 950 CE LYS A 65 -5.088 14.375 -4.203 1.00 0.00 C ATOM 951 NZ LYS A 65 -4.452 15.302 -3.191 1.00 0.00 N ATOM 0 H LYS A 65 -6.628 9.158 -5.849 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.726 10.648 -7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.572 10.131 -4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.315 10.919 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.097 12.659 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.171 11.940 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.610 12.509 -3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.379 13.037 -4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.981 14.799 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.157 14.297 -4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.158 15.989 -2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.101 14.747 -2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.659 15.808 -3.634 1.00 0.00 H new ATOM 965 N CYS A 66 -3.061 8.830 -7.728 1.00 0.00 N ATOM 966 CA CYS A 66 -2.144 7.701 -8.044 1.00 0.00 C ATOM 967 C CYS A 66 -0.730 8.169 -7.605 1.00 0.00 C ATOM 968 O CYS A 66 -0.459 9.335 -7.386 1.00 0.00 O ATOM 969 CB CYS A 66 -2.259 7.430 -9.576 1.00 0.00 C ATOM 970 SG CYS A 66 -3.835 6.759 -10.166 1.00 0.00 S ATOM 0 H CYS A 66 -2.804 9.703 -8.189 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.377 6.768 -7.531 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.069 8.365 -10.102 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.466 6.738 -9.860 1.00 0.00 H new ATOM 975 N LEU A 67 0.154 7.237 -7.465 1.00 0.00 N ATOM 976 CA LEU A 67 1.565 7.518 -7.051 1.00 0.00 C ATOM 977 C LEU A 67 2.504 7.035 -8.155 1.00 0.00 C ATOM 978 O LEU A 67 2.361 5.927 -8.640 1.00 0.00 O ATOM 979 CB LEU A 67 1.914 6.754 -5.732 1.00 0.00 C ATOM 980 CG LEU A 67 1.554 7.514 -4.434 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.966 6.655 -3.216 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.294 8.850 -4.419 1.00 0.00 C ATOM 0 H LEU A 67 -0.041 6.249 -7.625 1.00 0.00 H new ATOM 0 HA LEU A 67 1.678 8.589 -6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.393 5.797 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.982 6.536 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 67 0.481 7.702 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.716 7.184 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.434 5.704 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.040 6.470 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.046 9.393 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.369 8.671 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.996 9.441 -5.285 1.00 0.00 H new ATOM 994 N ARG A 68 3.438 7.846 -8.539 1.00 0.00 N ATOM 995 CA ARG A 68 4.379 7.397 -9.609 1.00 0.00 C ATOM 996 C ARG A 68 5.462 6.736 -8.746 1.00 0.00 C ATOM 997 O ARG A 68 6.066 7.427 -7.947 1.00 0.00 O ATOM 998 CB ARG A 68 4.892 8.635 -10.369 1.00 0.00 C ATOM 999 CG ARG A 68 6.046 8.225 -11.312 1.00 0.00 C ATOM 1000 CD ARG A 68 6.468 9.441 -12.130 1.00 0.00 C ATOM 1001 NE ARG A 68 7.612 8.999 -13.002 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.259 9.858 -13.681 1.00 0.00 C ATOM 1003 NH1 ARG A 68 7.673 10.262 -14.728 1.00 0.00 N ATOM 1004 NH2 ARG A 68 9.406 10.260 -13.308 1.00 0.00 N ATOM 0 H ARG A 68 3.596 8.784 -8.172 1.00 0.00 H new ATOM 0 HA ARG A 68 3.978 6.737 -10.379 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.081 9.083 -10.944 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.237 9.390 -9.663 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.890 7.848 -10.734 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.726 7.419 -11.972 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.639 9.807 -12.735 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.772 10.260 -11.478 1.00 0.00 H new ATOM 0 HE ARG A 68 7.868 8.013 -13.048 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.751 9.898 -14.969 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.123 10.952 -15.330 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.821 9.893 -12.452 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.911 10.949 -13.865 1.00 0.00 H new ATOM 1018 N VAL A 69 5.695 5.459 -8.894 1.00 0.00 N ATOM 1019 CA VAL A 69 6.749 4.805 -8.044 1.00 0.00 C ATOM 1020 C VAL A 69 7.962 4.647 -8.917 1.00 0.00 C ATOM 1021 O VAL A 69 7.885 4.201 -10.042 1.00 0.00 O ATOM 1022 CB VAL A 69 6.314 3.398 -7.545 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.469 2.784 -6.701 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.104 3.525 -6.636 1.00 0.00 C ATOM 0 H VAL A 69 5.215 4.845 -9.552 1.00 0.00 H new ATOM 0 HA VAL A 69 6.934 5.419 -7.163 1.00 0.00 H new ATOM 0 HB VAL A 69 6.078 2.774 -8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.175 1.796 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.363 2.696 -7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.679 3.429 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.804 2.536 -6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.357 4.149 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.282 3.982 -7.187 1.00 0.00 H new ATOM 1034 N THR A 70 9.048 5.039 -8.337 1.00 0.00 N ATOM 1035 CA THR A 70 10.387 4.989 -9.001 1.00 0.00 C ATOM 1036 C THR A 70 11.430 4.304 -8.099 1.00 0.00 C ATOM 1037 O THR A 70 11.343 4.437 -6.892 1.00 0.00 O ATOM 1038 CB THR A 70 10.768 6.438 -9.289 1.00 0.00 C ATOM 1039 OG1 THR A 70 9.747 6.929 -10.156 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.025 6.503 -10.130 1.00 0.00 C ATOM 0 H THR A 70 9.073 5.410 -7.387 1.00 0.00 H new ATOM 0 HA THR A 70 10.352 4.402 -9.919 1.00 0.00 H new ATOM 0 HB THR A 70 10.898 6.979 -8.352 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.931 7.865 -10.381 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.279 7.545 -10.324 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.845 6.023 -9.596 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.857 5.988 -11.076 1.00 0.00 H new ATOM 1048 N ASN A 71 12.363 3.610 -8.699 1.00 0.00 N ATOM 1049 CA ASN A 71 13.447 2.891 -7.950 1.00 0.00 C ATOM 1050 C ASN A 71 14.906 3.415 -8.150 1.00 0.00 C ATOM 1051 O ASN A 71 15.537 3.011 -9.116 1.00 0.00 O ATOM 1052 CB ASN A 71 13.345 1.470 -8.379 1.00 0.00 C ATOM 1053 CG ASN A 71 14.371 0.654 -7.609 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.433 0.657 -6.401 1.00 0.00 O ATOM 1055 ND2 ASN A 71 15.218 -0.077 -8.248 1.00 0.00 N ATOM 0 H ASN A 71 12.422 3.507 -9.712 1.00 0.00 H new ATOM 0 HA ASN A 71 13.281 3.055 -6.885 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.341 1.090 -8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.522 1.385 -9.451 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.908 -0.626 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.199 -0.107 -9.267 1.00 0.00 H new ATOM 1062 N PRO A 72 15.403 4.247 -7.257 1.00 0.00 N ATOM 1063 CA PRO A 72 16.575 5.146 -7.545 1.00 0.00 C ATOM 1064 C PRO A 72 17.678 4.332 -8.279 1.00 0.00 C ATOM 1065 O PRO A 72 18.014 4.560 -9.423 1.00 0.00 O ATOM 1066 CB PRO A 72 17.014 5.670 -6.145 1.00 0.00 C ATOM 1067 CG PRO A 72 16.028 5.042 -5.084 1.00 0.00 C ATOM 1068 CD PRO A 72 14.880 4.366 -5.870 1.00 0.00 C ATOM 0 HA PRO A 72 16.348 5.984 -8.205 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.043 5.382 -5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 72 16.974 6.759 -6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.547 4.315 -4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.637 5.812 -4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.634 3.390 -5.453 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.970 4.965 -5.838 1.00 0.00 H new ATOM 1076 N ALA A 73 18.169 3.394 -7.513 1.00 0.00 N ATOM 1077 CA ALA A 73 19.241 2.426 -7.912 1.00 0.00 C ATOM 1078 C ALA A 73 19.258 2.011 -9.402 1.00 0.00 C ATOM 1079 O ALA A 73 20.279 2.059 -10.060 1.00 0.00 O ATOM 1080 CB ALA A 73 19.069 1.195 -6.994 1.00 0.00 C ATOM 0 H ALA A 73 17.845 3.251 -6.556 1.00 0.00 H new ATOM 0 HA ALA A 73 20.205 2.921 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.826 0.450 -7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.181 1.499 -5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.078 0.766 -7.142 1.00 0.00 H new ATOM 1086 N THR A 74 18.096 1.615 -9.858 1.00 0.00 N ATOM 1087 CA THR A 74 17.930 1.165 -11.290 1.00 0.00 C ATOM 1088 C THR A 74 17.446 2.255 -12.236 1.00 0.00 C ATOM 1089 O THR A 74 17.858 2.268 -13.377 1.00 0.00 O ATOM 1090 CB THR A 74 16.910 -0.011 -11.410 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.686 0.468 -10.862 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.271 -1.172 -10.484 1.00 0.00 C ATOM 0 H THR A 74 17.243 1.581 -9.300 1.00 0.00 H new ATOM 0 HA THR A 74 18.935 0.861 -11.582 1.00 0.00 H new ATOM 0 HB THR A 74 16.881 -0.333 -12.451 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.937 0.151 -11.408 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.537 -1.970 -10.598 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.260 -1.550 -10.743 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.274 -0.826 -9.450 1.00 0.00 H new ATOM 1100 N GLY A 75 16.591 3.132 -11.780 1.00 0.00 N ATOM 1101 CA GLY A 75 16.088 4.223 -12.682 1.00 0.00 C ATOM 1102 C GLY A 75 14.708 3.936 -13.252 1.00 0.00 C ATOM 1103 O GLY A 75 14.161 4.768 -13.940 1.00 0.00 O ATOM 0 H GLY A 75 16.219 3.145 -10.831 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.057 5.160 -12.127 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.792 4.361 -13.503 1.00 0.00 H new ATOM 1107 N ALA A 76 14.171 2.788 -12.953 1.00 0.00 N ATOM 1108 CA ALA A 76 12.814 2.413 -13.472 1.00 0.00 C ATOM 1109 C ALA A 76 11.656 2.972 -12.603 1.00 0.00 C ATOM 1110 O ALA A 76 11.832 3.205 -11.422 1.00 0.00 O ATOM 1111 CB ALA A 76 12.793 0.877 -13.521 1.00 0.00 C ATOM 0 H ALA A 76 14.614 2.082 -12.365 1.00 0.00 H new ATOM 0 HA ALA A 76 12.651 2.852 -14.457 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.826 0.538 -13.893 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.581 0.523 -14.185 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.957 0.479 -12.520 1.00 0.00 H new ATOM 1117 N GLN A 77 10.518 3.165 -13.236 1.00 0.00 N ATOM 1118 CA GLN A 77 9.265 3.703 -12.567 1.00 0.00 C ATOM 1119 C GLN A 77 7.896 3.237 -13.167 1.00 0.00 C ATOM 1120 O GLN A 77 7.768 3.061 -14.360 1.00 0.00 O ATOM 1121 CB GLN A 77 9.277 5.259 -12.599 1.00 0.00 C ATOM 1122 CG GLN A 77 9.235 5.827 -14.049 1.00 0.00 C ATOM 1123 CD GLN A 77 10.494 5.464 -14.803 1.00 0.00 C ATOM 1124 OE1 GLN A 77 11.556 5.970 -14.542 1.00 0.00 O ATOM 1125 NE2 GLN A 77 10.435 4.590 -15.746 1.00 0.00 N ATOM 0 H GLN A 77 10.395 2.966 -14.229 1.00 0.00 H new ATOM 0 HA GLN A 77 9.315 3.288 -11.560 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.421 5.637 -12.039 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.173 5.623 -12.096 1.00 0.00 H new ATOM 0 HG2 GLN A 77 8.365 5.433 -14.574 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.124 6.911 -14.017 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.544 4.152 -15.980 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.279 4.336 -16.259 1.00 0.00 H new ATOM 1134 N ILE A 78 6.913 3.066 -12.323 1.00 0.00 N ATOM 1135 CA ILE A 78 5.528 2.619 -12.728 1.00 0.00 C ATOM 1136 C ILE A 78 4.442 3.580 -12.133 1.00 0.00 C ATOM 1137 O ILE A 78 4.776 4.466 -11.366 1.00 0.00 O ATOM 1138 CB ILE A 78 5.418 1.162 -12.203 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.402 0.314 -13.006 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.027 1.144 -10.706 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.099 -0.360 -14.225 1.00 0.00 C ATOM 0 H ILE A 78 7.011 3.224 -11.320 1.00 0.00 H new ATOM 0 HA ILE A 78 5.361 2.651 -13.805 1.00 0.00 H new ATOM 0 HB ILE A 78 6.404 0.716 -12.333 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.966 -0.449 -12.361 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.584 0.946 -13.351 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.956 0.113 -10.361 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.785 1.670 -10.126 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.064 1.637 -10.576 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.371 -0.952 -14.779 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.513 0.408 -14.878 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.901 -1.008 -13.873 1.00 0.00 H new ATOM 1153 N THR A 79 3.187 3.408 -12.470 1.00 0.00 N ATOM 1154 CA THR A 79 2.101 4.307 -11.915 1.00 0.00 C ATOM 1155 C THR A 79 1.206 3.439 -11.016 1.00 0.00 C ATOM 1156 O THR A 79 0.617 2.507 -11.533 1.00 0.00 O ATOM 1157 CB THR A 79 1.179 4.849 -13.002 1.00 0.00 C ATOM 1158 OG1 THR A 79 1.953 5.333 -14.086 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.489 6.138 -12.531 1.00 0.00 C ATOM 0 H THR A 79 2.857 2.683 -13.108 1.00 0.00 H new ATOM 0 HA THR A 79 2.587 5.138 -11.404 1.00 0.00 H new ATOM 0 HB THR A 79 0.492 4.041 -13.251 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.548 5.046 -14.931 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.165 6.510 -13.320 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.101 5.930 -11.639 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.243 6.891 -12.300 1.00 0.00 H new ATOM 1167 N ALA A 80 1.091 3.713 -9.741 1.00 0.00 N ATOM 1168 CA ALA A 80 0.208 2.856 -8.860 1.00 0.00 C ATOM 1169 C ALA A 80 -1.065 3.656 -8.459 1.00 0.00 C ATOM 1170 O ALA A 80 -0.971 4.850 -8.281 1.00 0.00 O ATOM 1171 CB ALA A 80 1.035 2.453 -7.591 1.00 0.00 C ATOM 0 H ALA A 80 1.562 4.483 -9.266 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.112 1.958 -9.389 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.420 1.834 -6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.919 1.893 -7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.341 3.352 -7.056 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.193 3.003 -8.324 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.474 3.714 -7.933 1.00 0.00 C ATOM 1179 C ARG A 81 -3.777 3.677 -6.398 1.00 0.00 C ATOM 1180 O ARG A 81 -3.608 2.636 -5.801 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.583 3.012 -8.711 1.00 0.00 C ATOM 1182 CG ARG A 81 -5.728 3.987 -9.103 1.00 0.00 C ATOM 1183 CD ARG A 81 -6.861 3.220 -9.849 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.332 1.856 -10.216 1.00 0.00 N ATOM 1185 CZ ARG A 81 -5.872 1.607 -11.378 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -5.107 2.467 -11.902 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -6.169 0.535 -11.992 1.00 0.00 N ATOM 0 H ARG A 81 -2.293 1.998 -8.467 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.390 4.775 -8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.165 2.563 -9.612 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.989 2.199 -8.109 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.130 4.464 -8.209 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.337 4.781 -9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.743 3.129 -9.214 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.166 3.764 -10.743 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.343 1.114 -9.516 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.879 3.323 -11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.718 2.305 -12.831 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.788 -0.148 -11.555 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.789 0.358 -12.922 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.198 4.755 -5.777 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.507 4.734 -4.297 1.00 0.00 C ATOM 1203 C ILE A 82 -5.996 4.353 -4.118 1.00 0.00 C ATOM 1204 O ILE A 82 -6.825 5.243 -4.148 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.209 6.151 -3.699 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.750 6.520 -4.080 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.351 6.060 -2.152 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.329 7.833 -3.410 1.00 0.00 C ATOM 0 H ILE A 82 -4.344 5.657 -6.229 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.890 4.003 -3.774 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.895 6.907 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.076 5.719 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.665 6.615 -5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.148 7.035 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.364 5.750 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.640 5.331 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.303 8.072 -3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.991 8.636 -3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.393 7.726 -2.327 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.299 3.090 -3.937 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.746 2.688 -3.775 1.00 0.00 C ATOM 1222 C VAL A 83 -8.104 2.088 -2.395 1.00 0.00 C ATOM 1223 O VAL A 83 -9.212 2.287 -1.925 1.00 0.00 O ATOM 1224 CB VAL A 83 -8.031 1.713 -4.957 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.405 0.330 -4.699 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -9.553 1.602 -5.204 1.00 0.00 C ATOM 0 H VAL A 83 -5.625 2.326 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.387 3.569 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.567 2.117 -5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.620 -0.329 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.326 0.434 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.825 -0.095 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.738 0.918 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.041 1.224 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.955 2.585 -5.449 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.162 1.385 -1.808 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.358 0.737 -0.453 1.00 0.00 C ATOM 1238 C ASP A 84 -6.723 1.523 0.728 1.00 0.00 C ATOM 1239 O ASP A 84 -6.228 2.629 0.622 1.00 0.00 O ATOM 1240 CB ASP A 84 -6.728 -0.679 -0.453 1.00 0.00 C ATOM 1241 CG ASP A 84 -7.367 -1.696 -1.364 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -8.414 -1.431 -1.908 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -6.725 -2.723 -1.445 1.00 0.00 O ATOM 0 H ASP A 84 -6.241 1.225 -2.216 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.437 0.714 -0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.677 -0.586 -0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.757 -1.066 0.565 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.745 0.916 1.882 1.00 0.00 N ATOM 1249 CA GLN A 85 -6.168 1.553 3.116 1.00 0.00 C ATOM 1250 C GLN A 85 -5.124 0.673 3.799 1.00 0.00 C ATOM 1251 O GLN A 85 -5.029 -0.511 3.551 1.00 0.00 O ATOM 1252 CB GLN A 85 -7.338 1.845 4.051 1.00 0.00 C ATOM 1253 CG GLN A 85 -8.100 3.029 3.427 1.00 0.00 C ATOM 1254 CD GLN A 85 -9.448 3.232 4.091 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -10.409 2.557 3.791 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -9.569 4.142 5.000 1.00 0.00 N ATOM 0 H GLN A 85 -7.144 -0.011 2.032 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.640 2.467 2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.985 0.973 4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.984 2.093 5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.505 3.937 3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.241 2.851 2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.765 4.715 5.259 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.468 4.288 5.459 1.00 0.00 H new ATOM 1265 N CYS A 86 -4.340 1.288 4.649 1.00 0.00 N ATOM 1266 CA CYS A 86 -3.275 0.531 5.393 1.00 0.00 C ATOM 1267 C CYS A 86 -3.279 0.895 6.903 1.00 0.00 C ATOM 1268 O CYS A 86 -4.123 1.634 7.375 1.00 0.00 O ATOM 1269 CB CYS A 86 -1.912 0.860 4.700 1.00 0.00 C ATOM 1270 SG CYS A 86 -0.716 2.018 5.412 1.00 0.00 S ATOM 0 H CYS A 86 -4.388 2.284 4.863 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.457 -0.543 5.354 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.390 -0.088 4.571 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.150 1.231 3.703 1.00 0.00 H new ATOM 1275 N ALA A 87 -2.343 0.352 7.625 1.00 0.00 N ATOM 1276 CA ALA A 87 -2.233 0.623 9.098 1.00 0.00 C ATOM 1277 C ALA A 87 -0.848 1.246 9.360 1.00 0.00 C ATOM 1278 O ALA A 87 -0.698 2.324 9.895 1.00 0.00 O ATOM 1279 CB ALA A 87 -2.421 -0.730 9.824 1.00 0.00 C ATOM 0 H ALA A 87 -1.633 -0.281 7.257 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.987 1.320 9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.348 -0.578 10.901 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.401 -1.140 9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.646 -1.426 9.502 1.00 0.00 H new ATOM 1285 N ASN A 88 0.125 0.485 8.960 1.00 0.00 N ATOM 1286 CA ASN A 88 1.560 0.878 9.099 1.00 0.00 C ATOM 1287 C ASN A 88 2.344 0.590 7.795 1.00 0.00 C ATOM 1288 O ASN A 88 3.233 1.326 7.422 1.00 0.00 O ATOM 1289 CB ASN A 88 2.130 0.097 10.315 1.00 0.00 C ATOM 1290 CG ASN A 88 1.821 -1.386 10.204 1.00 0.00 C ATOM 1291 OD1 ASN A 88 1.012 -1.940 10.909 1.00 0.00 O ATOM 1292 ND2 ASN A 88 2.436 -2.106 9.327 1.00 0.00 N ATOM 0 H ASN A 88 -0.015 -0.427 8.526 1.00 0.00 H new ATOM 0 HA ASN A 88 1.658 1.950 9.271 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.209 0.244 10.373 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.705 0.493 11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.231 -3.102 9.250 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.127 -1.679 8.711 1.00 0.00 H new ATOM 1299 N GLY A 89 1.988 -0.500 7.159 1.00 0.00 N ATOM 1300 CA GLY A 89 2.638 -0.936 5.875 1.00 0.00 C ATOM 1301 C GLY A 89 1.672 -1.459 4.789 1.00 0.00 C ATOM 1302 O GLY A 89 0.468 -1.322 4.841 1.00 0.00 O ATOM 0 H GLY A 89 1.252 -1.126 7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.196 -0.094 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.362 -1.719 6.101 1.00 0.00 H new ATOM 1306 N GLY A 90 2.293 -2.067 3.821 1.00 0.00 N ATOM 1307 CA GLY A 90 1.605 -2.677 2.627 1.00 0.00 C ATOM 1308 C GLY A 90 2.256 -2.103 1.359 1.00 0.00 C ATOM 1309 O GLY A 90 3.468 -2.014 1.331 1.00 0.00 O ATOM 0 H GLY A 90 3.307 -2.176 3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.700 -3.763 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.539 -2.450 2.644 1.00 0.00 H new ATOM 1313 N LEU A 91 1.415 -1.769 0.399 1.00 0.00 N ATOM 1314 CA LEU A 91 1.792 -1.168 -0.954 1.00 0.00 C ATOM 1315 C LEU A 91 1.865 -2.277 -2.054 1.00 0.00 C ATOM 1316 O LEU A 91 2.271 -2.090 -3.185 1.00 0.00 O ATOM 1317 CB LEU A 91 3.179 -0.425 -0.806 1.00 0.00 C ATOM 1318 CG LEU A 91 3.372 0.647 -1.891 1.00 0.00 C ATOM 1319 CD1 LEU A 91 2.447 1.856 -1.555 1.00 0.00 C ATOM 1320 CD2 LEU A 91 4.838 1.151 -1.846 1.00 0.00 C ATOM 0 H LEU A 91 0.408 -1.896 0.500 1.00 0.00 H new ATOM 0 HA LEU A 91 1.028 -0.455 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.239 0.039 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.989 -1.152 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 91 3.139 0.231 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.569 2.629 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.408 1.526 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.716 2.260 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.985 1.912 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.046 1.579 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.515 0.317 -2.029 1.00 0.00 H new ATOM 1332 N ASP A 92 1.412 -3.411 -1.612 1.00 0.00 N ATOM 1333 CA ASP A 92 1.353 -4.668 -2.402 1.00 0.00 C ATOM 1334 C ASP A 92 -0.007 -5.434 -2.552 1.00 0.00 C ATOM 1335 O ASP A 92 -0.505 -5.975 -1.586 1.00 0.00 O ATOM 1336 CB ASP A 92 2.449 -5.488 -1.720 1.00 0.00 C ATOM 1337 CG ASP A 92 2.290 -5.647 -0.188 1.00 0.00 C ATOM 1338 OD1 ASP A 92 1.626 -4.868 0.493 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.917 -6.618 0.189 1.00 0.00 O ATOM 0 H ASP A 92 1.054 -3.522 -0.663 1.00 0.00 H new ATOM 0 HA ASP A 92 1.486 -4.453 -3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.475 -6.479 -2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.412 -5.020 -1.924 1.00 0.00 H new ATOM 1344 N LEU A 93 -0.624 -5.494 -3.712 1.00 0.00 N ATOM 1345 CA LEU A 93 -1.931 -6.266 -3.769 1.00 0.00 C ATOM 1346 C LEU A 93 -1.739 -7.553 -4.599 1.00 0.00 C ATOM 1347 O LEU A 93 -1.553 -8.630 -4.065 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.048 -5.360 -4.405 1.00 0.00 C ATOM 1349 CG LEU A 93 -3.695 -4.366 -3.373 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -2.656 -3.504 -2.661 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -4.700 -3.430 -4.074 1.00 0.00 C ATOM 0 H LEU A 93 -0.309 -5.070 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.237 -6.545 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.620 -4.791 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.827 -5.995 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.201 -4.986 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.156 -2.836 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.961 -4.145 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.107 -2.914 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.136 -2.750 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.185 -2.854 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.490 -4.023 -4.534 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.774 -7.418 -5.894 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.605 -8.580 -6.808 1.00 0.00 C ATOM 1365 C ASP A 94 -0.101 -8.807 -7.028 1.00 0.00 C ATOM 1366 O ASP A 94 0.518 -8.003 -7.701 1.00 0.00 O ATOM 1367 CB ASP A 94 -2.375 -8.204 -8.105 1.00 0.00 C ATOM 1368 CG ASP A 94 -2.235 -9.204 -9.231 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -1.809 -10.302 -8.917 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -2.578 -8.791 -10.326 1.00 0.00 O ATOM 0 H ASP A 94 -1.917 -6.527 -6.369 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.001 -9.518 -6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.432 -8.092 -7.865 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.023 -7.233 -8.453 1.00 0.00 H new ATOM 1375 N TRP A 95 0.412 -9.880 -6.446 1.00 0.00 N ATOM 1376 CA TRP A 95 1.881 -10.234 -6.569 1.00 0.00 C ATOM 1377 C TRP A 95 2.666 -8.912 -6.579 1.00 0.00 C ATOM 1378 O TRP A 95 3.621 -8.769 -7.306 1.00 0.00 O ATOM 1379 CB TRP A 95 1.975 -11.024 -7.902 1.00 0.00 C ATOM 1380 CG TRP A 95 3.372 -11.540 -8.319 1.00 0.00 C ATOM 1381 CD1 TRP A 95 4.136 -12.408 -7.606 1.00 0.00 C ATOM 1382 CD2 TRP A 95 4.024 -11.222 -9.468 1.00 0.00 C ATOM 1383 NE1 TRP A 95 5.204 -12.563 -8.375 1.00 0.00 N ATOM 1384 CE2 TRP A 95 5.225 -11.893 -9.511 1.00 0.00 C ATOM 1385 CE3 TRP A 95 3.684 -10.394 -10.522 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 6.081 -11.750 -10.580 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 4.535 -10.245 -11.600 1.00 0.00 C ATOM 1388 CH2 TRP A 95 5.736 -10.924 -11.629 1.00 0.00 C ATOM 0 H TRP A 95 -0.131 -10.535 -5.883 1.00 0.00 H new ATOM 0 HA TRP A 95 2.292 -10.837 -5.759 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.304 -11.881 -7.835 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.598 -10.385 -8.701 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.925 -12.860 -6.648 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.975 -13.173 -8.101 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.746 -9.860 -10.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.020 -12.283 -10.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.260 -9.597 -12.420 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.403 -10.809 -12.470 1.00 0.00 H new ATOM 1399 N ASP A 96 2.239 -7.996 -5.742 1.00 0.00 N ATOM 1400 CA ASP A 96 2.869 -6.646 -5.656 1.00 0.00 C ATOM 1401 C ASP A 96 3.344 -6.154 -7.044 1.00 0.00 C ATOM 1402 O ASP A 96 4.502 -6.068 -7.434 1.00 0.00 O ATOM 1403 CB ASP A 96 4.035 -6.679 -4.702 1.00 0.00 C ATOM 1404 CG ASP A 96 4.705 -5.297 -4.574 1.00 0.00 C ATOM 1405 OD1 ASP A 96 4.365 -4.316 -5.240 1.00 0.00 O ATOM 1406 OD2 ASP A 96 5.582 -5.363 -3.758 1.00 0.00 O ATOM 0 H ASP A 96 1.459 -8.135 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 96 2.115 -5.950 -5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.694 -7.010 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.768 -7.408 -5.048 1.00 0.00 H new ATOM 1411 N THR A 97 2.308 -5.854 -7.775 1.00 0.00 N ATOM 1412 CA THR A 97 2.425 -5.331 -9.164 1.00 0.00 C ATOM 1413 C THR A 97 3.478 -4.228 -9.251 1.00 0.00 C ATOM 1414 O THR A 97 3.859 -3.876 -10.342 1.00 0.00 O ATOM 1415 CB THR A 97 1.111 -4.722 -9.644 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.025 -3.539 -8.868 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.128 -5.519 -9.217 1.00 0.00 C ATOM 0 H THR A 97 1.346 -5.955 -7.452 1.00 0.00 H new ATOM 0 HA THR A 97 2.702 -6.183 -9.785 1.00 0.00 H new ATOM 0 HB THR A 97 1.118 -4.642 -10.731 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.204 -3.056 -9.098 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.025 -5.027 -9.594 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.070 -6.528 -9.624 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.171 -5.569 -8.129 1.00 0.00 H new ATOM 1425 N VAL A 98 3.932 -3.660 -8.161 1.00 0.00 N ATOM 1426 CA VAL A 98 4.968 -2.591 -8.282 1.00 0.00 C ATOM 1427 C VAL A 98 6.371 -3.234 -8.242 1.00 0.00 C ATOM 1428 O VAL A 98 7.115 -3.234 -9.207 1.00 0.00 O ATOM 1429 CB VAL A 98 4.786 -1.588 -7.119 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.821 -0.455 -7.252 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.385 -0.972 -7.175 1.00 0.00 C ATOM 0 H VAL A 98 3.637 -3.885 -7.211 1.00 0.00 H new ATOM 0 HA VAL A 98 4.861 -2.059 -9.227 1.00 0.00 H new ATOM 0 HB VAL A 98 4.921 -2.116 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.693 0.252 -6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.826 -0.875 -7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.677 0.060 -8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.265 -0.267 -6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.255 -0.450 -8.123 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.637 -1.760 -7.089 1.00 0.00 H new ATOM 1441 N PHE A 99 6.666 -3.786 -7.101 1.00 0.00 N ATOM 1442 CA PHE A 99 7.981 -4.454 -6.843 1.00 0.00 C ATOM 1443 C PHE A 99 8.660 -5.299 -7.931 1.00 0.00 C ATOM 1444 O PHE A 99 9.799 -5.055 -8.282 1.00 0.00 O ATOM 1445 CB PHE A 99 7.801 -5.312 -5.577 1.00 0.00 C ATOM 1446 CG PHE A 99 9.146 -5.834 -5.084 1.00 0.00 C ATOM 1447 CD1 PHE A 99 10.064 -4.896 -4.671 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.479 -7.177 -5.032 1.00 0.00 C ATOM 1449 CE1 PHE A 99 11.297 -5.282 -4.212 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.723 -7.559 -4.570 1.00 0.00 C ATOM 1451 CZ PHE A 99 11.627 -6.610 -4.160 1.00 0.00 C ATOM 0 H PHE A 99 6.029 -3.805 -6.304 1.00 0.00 H new ATOM 0 HA PHE A 99 8.679 -3.620 -6.769 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.326 -4.720 -4.795 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.136 -6.149 -5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.811 -3.847 -4.709 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.768 -7.924 -5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 99 12.010 -4.537 -3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.985 -8.606 -4.531 1.00 0.00 H new ATOM 0 HZ PHE A 99 12.598 -6.911 -3.796 1.00 0.00 H new ATOM 1461 N THR A 100 7.955 -6.277 -8.439 1.00 0.00 N ATOM 1462 CA THR A 100 8.603 -7.147 -9.506 1.00 0.00 C ATOM 1463 C THR A 100 8.371 -6.591 -10.911 1.00 0.00 C ATOM 1464 O THR A 100 8.780 -7.188 -11.892 1.00 0.00 O ATOM 1465 CB THR A 100 8.043 -8.622 -9.449 1.00 0.00 C ATOM 1466 OG1 THR A 100 7.426 -8.940 -10.684 1.00 0.00 O ATOM 1467 CG2 THR A 100 6.761 -8.688 -8.627 1.00 0.00 C ATOM 0 H THR A 100 6.997 -6.517 -8.185 1.00 0.00 H new ATOM 0 HA THR A 100 9.673 -7.148 -9.297 1.00 0.00 H new ATOM 0 HB THR A 100 8.883 -9.230 -9.113 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.179 -9.888 -10.692 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.396 -9.715 -8.604 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.963 -8.352 -7.610 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.006 -8.045 -9.079 1.00 0.00 H new ATOM 1475 N LYS A 101 7.737 -5.453 -10.985 1.00 0.00 N ATOM 1476 CA LYS A 101 7.453 -4.844 -12.321 1.00 0.00 C ATOM 1477 C LYS A 101 8.309 -3.684 -12.723 1.00 0.00 C ATOM 1478 O LYS A 101 8.358 -3.363 -13.890 1.00 0.00 O ATOM 1479 CB LYS A 101 6.010 -4.400 -12.341 1.00 0.00 C ATOM 1480 CG LYS A 101 5.134 -5.677 -12.053 1.00 0.00 C ATOM 1481 CD LYS A 101 3.680 -5.486 -12.574 1.00 0.00 C ATOM 1482 CE LYS A 101 3.600 -5.793 -14.051 1.00 0.00 C ATOM 1483 NZ LYS A 101 2.233 -5.382 -14.532 1.00 0.00 N ATOM 0 H LYS A 101 7.403 -4.918 -10.183 1.00 0.00 H new ATOM 0 HA LYS A 101 7.682 -5.627 -13.044 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.832 -3.632 -11.588 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.753 -3.965 -13.307 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.584 -6.547 -12.532 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.117 -5.876 -10.982 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.002 -6.139 -12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.354 -4.462 -12.392 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.375 -5.254 -14.596 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.765 -6.855 -14.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.148 -5.582 -15.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.507 -5.916 -14.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.099 -4.364 -14.367 1.00 0.00 H new ATOM 1497 N ILE A 102 8.944 -3.066 -11.784 1.00 0.00 N ATOM 1498 CA ILE A 102 9.793 -1.917 -12.188 1.00 0.00 C ATOM 1499 C ILE A 102 11.067 -2.381 -12.946 1.00 0.00 C ATOM 1500 O ILE A 102 11.182 -2.084 -14.117 1.00 0.00 O ATOM 1501 CB ILE A 102 10.012 -1.135 -10.846 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.414 -2.047 -9.628 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.591 -0.528 -10.549 1.00 0.00 C ATOM 1504 CD1 ILE A 102 11.367 -1.282 -8.692 1.00 0.00 C ATOM 0 H ILE A 102 8.920 -3.290 -10.789 1.00 0.00 H new ATOM 0 HA ILE A 102 9.345 -1.253 -12.927 1.00 0.00 H new ATOM 0 HB ILE A 102 10.826 -0.419 -10.957 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.522 -2.353 -9.082 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.896 -2.957 -9.987 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.627 0.046 -9.623 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.296 0.126 -11.370 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.865 -1.334 -10.448 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.641 -1.920 -7.851 1.00 0.00 H new ATOM 0 HD12 ILE A 102 12.265 -0.998 -9.240 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.870 -0.386 -8.321 1.00 0.00 H new ATOM 1516 N ASP A 103 11.990 -3.057 -12.329 1.00 0.00 N ATOM 1517 CA ASP A 103 13.208 -3.498 -13.108 1.00 0.00 C ATOM 1518 C ASP A 103 13.932 -4.658 -12.413 1.00 0.00 C ATOM 1519 O ASP A 103 13.748 -5.823 -12.710 1.00 0.00 O ATOM 1520 CB ASP A 103 14.070 -2.202 -13.290 1.00 0.00 C ATOM 1521 CG ASP A 103 15.441 -2.454 -13.893 1.00 0.00 C ATOM 1522 OD1 ASP A 103 16.298 -2.822 -13.109 1.00 0.00 O ATOM 1523 OD2 ASP A 103 15.537 -2.259 -15.093 1.00 0.00 O ATOM 0 H ASP A 103 11.970 -3.325 -11.345 1.00 0.00 H new ATOM 0 HA ASP A 103 12.960 -3.913 -14.085 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.527 -1.503 -13.926 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.194 -1.720 -12.320 1.00 0.00 H new ATOM 1528 N THR A 104 14.741 -4.189 -11.500 1.00 0.00 N ATOM 1529 CA THR A 104 15.631 -4.970 -10.583 1.00 0.00 C ATOM 1530 C THR A 104 15.152 -6.397 -10.412 1.00 0.00 C ATOM 1531 O THR A 104 13.984 -6.627 -10.150 1.00 0.00 O ATOM 1532 CB THR A 104 15.706 -4.258 -9.160 1.00 0.00 C ATOM 1533 OG1 THR A 104 15.225 -5.151 -8.170 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.664 -3.170 -9.000 1.00 0.00 C ATOM 0 H THR A 104 14.825 -3.185 -11.340 1.00 0.00 H new ATOM 0 HA THR A 104 16.622 -5.000 -11.035 1.00 0.00 H new ATOM 0 HB THR A 104 16.737 -3.914 -9.074 1.00 0.00 H new ATOM 0 HG1 THR A 104 15.270 -4.720 -7.291 1.00 0.00 H new ATOM 0 HG21 THR A 104 14.759 -2.717 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.814 -2.408 -9.765 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.669 -3.601 -9.107 1.00 0.00 H new ATOM 1542 N ASN A 105 16.063 -7.318 -10.518 1.00 0.00 N ATOM 1543 CA ASN A 105 15.666 -8.750 -10.373 1.00 0.00 C ATOM 1544 C ASN A 105 15.531 -9.120 -8.875 1.00 0.00 C ATOM 1545 O ASN A 105 14.425 -9.242 -8.383 1.00 0.00 O ATOM 1546 CB ASN A 105 16.776 -9.566 -11.120 1.00 0.00 C ATOM 1547 CG ASN A 105 18.158 -9.131 -10.617 1.00 0.00 C ATOM 1548 OD1 ASN A 105 18.577 -8.004 -10.761 1.00 0.00 O ATOM 1549 ND2 ASN A 105 18.924 -9.974 -9.998 1.00 0.00 N ATOM 0 H ASN A 105 17.053 -7.150 -10.696 1.00 0.00 H new ATOM 0 HA ASN A 105 14.690 -8.970 -10.806 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.635 -10.633 -10.949 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.701 -9.403 -12.195 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.838 -9.677 -9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.613 -10.935 -9.853 1.00 0.00 H new ATOM 1556 N GLY A 106 16.621 -9.286 -8.179 1.00 0.00 N ATOM 1557 CA GLY A 106 16.543 -9.641 -6.728 1.00 0.00 C ATOM 1558 C GLY A 106 17.421 -8.725 -5.903 1.00 0.00 C ATOM 1559 O GLY A 106 18.120 -9.212 -5.040 1.00 0.00 O ATOM 0 H GLY A 106 17.566 -9.192 -8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.511 -9.568 -6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.854 -10.676 -6.585 1.00 0.00 H new ATOM 1563 N ILE A 107 17.385 -7.439 -6.153 1.00 0.00 N ATOM 1564 CA ILE A 107 18.253 -6.545 -5.344 1.00 0.00 C ATOM 1565 C ILE A 107 17.731 -6.399 -3.912 1.00 0.00 C ATOM 1566 O ILE A 107 18.488 -6.558 -2.980 1.00 0.00 O ATOM 1567 CB ILE A 107 18.340 -5.169 -6.046 1.00 0.00 C ATOM 1568 CG1 ILE A 107 18.692 -5.343 -7.552 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.466 -4.367 -5.357 1.00 0.00 C ATOM 1570 CD1 ILE A 107 19.917 -6.279 -7.786 1.00 0.00 C ATOM 0 H ILE A 107 16.809 -6.985 -6.861 1.00 0.00 H new ATOM 0 HA ILE A 107 19.248 -6.984 -5.272 1.00 0.00 H new ATOM 0 HB ILE A 107 17.381 -4.655 -5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 107 17.827 -5.747 -8.077 1.00 0.00 H new ATOM 0 HG13 ILE A 107 18.900 -4.365 -7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.556 -3.388 -5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 107 19.229 -4.241 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 107 20.409 -4.905 -5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 107 20.113 -6.361 -8.855 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.793 -5.864 -7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 107 19.703 -7.267 -7.380 1.00 0.00 H new ATOM 1582 N GLY A 108 16.472 -6.092 -3.750 1.00 0.00 N ATOM 1583 CA GLY A 108 15.903 -5.948 -2.356 1.00 0.00 C ATOM 1584 C GLY A 108 15.369 -7.301 -1.873 1.00 0.00 C ATOM 1585 O GLY A 108 15.418 -7.621 -0.702 1.00 0.00 O ATOM 0 H GLY A 108 15.809 -5.934 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.673 -5.586 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 108 15.102 -5.209 -2.354 1.00 0.00 H new ATOM 1589 N TYR A 109 14.859 -8.072 -2.803 1.00 0.00 N ATOM 1590 CA TYR A 109 14.289 -9.429 -2.502 1.00 0.00 C ATOM 1591 C TYR A 109 15.084 -10.136 -1.365 1.00 0.00 C ATOM 1592 O TYR A 109 14.535 -10.509 -0.349 1.00 0.00 O ATOM 1593 CB TYR A 109 14.328 -10.234 -3.819 1.00 0.00 C ATOM 1594 CG TYR A 109 13.510 -11.512 -3.577 1.00 0.00 C ATOM 1595 CD1 TYR A 109 14.040 -12.585 -2.886 1.00 0.00 C ATOM 1596 CD2 TYR A 109 12.202 -11.585 -4.023 1.00 0.00 C ATOM 1597 CE1 TYR A 109 13.273 -13.706 -2.639 1.00 0.00 C ATOM 1598 CE2 TYR A 109 11.441 -12.707 -3.776 1.00 0.00 C ATOM 1599 CZ TYR A 109 11.970 -13.765 -3.083 1.00 0.00 C ATOM 1600 OH TYR A 109 11.181 -14.859 -2.821 1.00 0.00 O ATOM 0 H TYR A 109 14.812 -7.811 -3.788 1.00 0.00 H new ATOM 0 HA TYR A 109 13.264 -9.348 -2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 109 13.907 -9.654 -4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 109 15.354 -10.477 -4.094 1.00 0.00 H new ATOM 0 HD1 TYR A 109 15.061 -12.546 -2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.775 -10.757 -4.569 1.00 0.00 H new ATOM 0 HE1 TYR A 109 13.695 -14.539 -2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.422 -12.753 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 109 10.292 -14.722 -3.211 1.00 0.00 H new ATOM 1610 N GLN A 110 16.373 -10.294 -1.575 1.00 0.00 N ATOM 1611 CA GLN A 110 17.312 -10.955 -0.581 1.00 0.00 C ATOM 1612 C GLN A 110 17.092 -10.545 0.903 1.00 0.00 C ATOM 1613 O GLN A 110 17.336 -11.297 1.829 1.00 0.00 O ATOM 1614 CB GLN A 110 18.778 -10.616 -0.994 1.00 0.00 C ATOM 1615 CG GLN A 110 19.281 -11.492 -2.196 1.00 0.00 C ATOM 1616 CD GLN A 110 19.404 -12.975 -1.813 1.00 0.00 C ATOM 1617 OE1 GLN A 110 18.451 -13.721 -1.799 1.00 0.00 O ATOM 1618 NE2 GLN A 110 20.558 -13.459 -1.489 1.00 0.00 N ATOM 0 H GLN A 110 16.838 -9.981 -2.427 1.00 0.00 H new ATOM 0 HA GLN A 110 17.102 -12.024 -0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.841 -9.562 -1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 110 19.437 -10.765 -0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 110 18.591 -11.390 -3.034 1.00 0.00 H new ATOM 0 HG3 GLN A 110 20.249 -11.123 -2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 110 21.382 -12.858 -1.490 1.00 0.00 H new ATOM 0 HE22 GLN A 110 20.645 -14.442 -1.232 1.00 0.00 H new ATOM 1627 N GLN A 111 16.645 -9.334 1.065 1.00 0.00 N ATOM 1628 CA GLN A 111 16.372 -8.755 2.416 1.00 0.00 C ATOM 1629 C GLN A 111 14.860 -8.786 2.675 1.00 0.00 C ATOM 1630 O GLN A 111 14.446 -8.950 3.807 1.00 0.00 O ATOM 1631 CB GLN A 111 16.917 -7.302 2.435 1.00 0.00 C ATOM 1632 CG GLN A 111 18.470 -7.312 2.266 1.00 0.00 C ATOM 1633 CD GLN A 111 19.142 -7.990 3.458 1.00 0.00 C ATOM 1634 OE1 GLN A 111 19.533 -7.393 4.436 1.00 0.00 O ATOM 1635 NE2 GLN A 111 19.297 -9.270 3.427 1.00 0.00 N ATOM 0 H GLN A 111 16.450 -8.697 0.293 1.00 0.00 H new ATOM 0 HA GLN A 111 16.863 -9.330 3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.459 -6.723 1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 111 16.648 -6.816 3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 111 18.737 -7.834 1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 111 18.836 -6.290 2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 111 18.979 -9.803 2.618 1.00 0.00 H new ATOM 0 HE22 GLN A 111 19.738 -9.749 4.212 1.00 0.00 H new ATOM 1644 N GLY A 112 14.105 -8.619 1.619 1.00 0.00 N ATOM 1645 CA GLY A 112 12.599 -8.625 1.679 1.00 0.00 C ATOM 1646 C GLY A 112 12.041 -7.283 1.205 1.00 0.00 C ATOM 1647 O GLY A 112 10.983 -7.192 0.620 1.00 0.00 O ATOM 0 H GLY A 112 14.479 -8.473 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.207 -9.429 1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.270 -8.823 2.699 1.00 0.00 H new ATOM 1651 N HIS A 113 12.805 -6.258 1.489 1.00 0.00 N ATOM 1652 CA HIS A 113 12.407 -4.874 1.098 1.00 0.00 C ATOM 1653 C HIS A 113 13.484 -4.145 0.262 1.00 0.00 C ATOM 1654 O HIS A 113 14.669 -4.376 0.388 1.00 0.00 O ATOM 1655 CB HIS A 113 12.090 -4.096 2.428 1.00 0.00 C ATOM 1656 CG HIS A 113 12.967 -2.852 2.671 1.00 0.00 C ATOM 1657 ND1 HIS A 113 12.968 -1.804 1.930 1.00 0.00 N ATOM 1658 CD2 HIS A 113 13.884 -2.557 3.652 1.00 0.00 C ATOM 1659 CE1 HIS A 113 13.810 -0.925 2.404 1.00 0.00 C ATOM 1660 NE2 HIS A 113 14.400 -1.364 3.479 1.00 0.00 N ATOM 0 H HIS A 113 13.696 -6.324 1.980 1.00 0.00 H new ATOM 0 HA HIS A 113 11.533 -4.918 0.448 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.044 -3.789 2.413 1.00 0.00 H new ATOM 0 HB3 HIS A 113 12.210 -4.778 3.269 1.00 0.00 H new ATOM 0 HD1 HIS A 113 12.396 -1.676 1.095 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.146 -3.223 4.461 1.00 0.00 H new ATOM 0 HE1 HIS A 113 13.994 0.043 1.961 1.00 0.00 H new ATOM 1668 N LEU A 114 13.034 -3.275 -0.591 1.00 0.00 N ATOM 1669 CA LEU A 114 13.960 -2.483 -1.449 1.00 0.00 C ATOM 1670 C LEU A 114 13.668 -1.032 -1.072 1.00 0.00 C ATOM 1671 O LEU A 114 12.652 -0.758 -0.451 1.00 0.00 O ATOM 1672 CB LEU A 114 13.633 -2.760 -2.927 1.00 0.00 C ATOM 1673 CG LEU A 114 14.557 -1.978 -3.908 1.00 0.00 C ATOM 1674 CD1 LEU A 114 16.039 -2.306 -3.642 1.00 0.00 C ATOM 1675 CD2 LEU A 114 14.235 -2.482 -5.316 1.00 0.00 C ATOM 0 H LEU A 114 12.045 -3.073 -0.735 1.00 0.00 H new ATOM 0 HA LEU A 114 15.013 -2.728 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.727 -3.829 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.595 -2.491 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 114 14.395 -0.907 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.666 -1.749 -4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.296 -2.027 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 114 16.205 -3.374 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.860 -1.961 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 114 14.430 -3.553 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 114 13.185 -2.292 -5.539 1.00 0.00 H new ATOM 1687 N ASN A 115 14.555 -0.164 -1.471 1.00 0.00 N ATOM 1688 CA ASN A 115 14.396 1.291 -1.171 1.00 0.00 C ATOM 1689 C ASN A 115 13.996 2.074 -2.450 1.00 0.00 C ATOM 1690 O ASN A 115 14.790 2.332 -3.339 1.00 0.00 O ATOM 1691 CB ASN A 115 15.735 1.738 -0.591 1.00 0.00 C ATOM 1692 CG ASN A 115 15.590 3.121 -0.001 1.00 0.00 C ATOM 1693 OD1 ASN A 115 14.717 3.401 0.784 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.422 4.045 -0.336 1.00 0.00 N ATOM 0 H ASN A 115 15.395 -0.402 -1.999 1.00 0.00 H new ATOM 0 HA ASN A 115 13.594 1.486 -0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.064 1.036 0.176 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.498 1.741 -1.369 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.332 4.981 0.060 1.00 0.00 H new ATOM 0 HD22 ASN A 115 17.171 3.841 -0.997 1.00 0.00 H new ATOM 1701 N VAL A 116 12.741 2.430 -2.484 1.00 0.00 N ATOM 1702 CA VAL A 116 12.181 3.190 -3.661 1.00 0.00 C ATOM 1703 C VAL A 116 11.649 4.592 -3.272 1.00 0.00 C ATOM 1704 O VAL A 116 11.716 4.976 -2.121 1.00 0.00 O ATOM 1705 CB VAL A 116 11.008 2.359 -4.326 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.443 0.923 -4.758 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.837 2.225 -3.343 1.00 0.00 C ATOM 0 H VAL A 116 12.067 2.230 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 116 13.001 3.332 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 116 10.716 2.909 -5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.595 0.405 -5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.252 0.991 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.786 0.368 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.035 1.652 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.175 1.711 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.469 3.216 -3.079 1.00 0.00 H new ATOM 1717 N ASN A 117 11.148 5.306 -4.247 1.00 0.00 N ATOM 1718 CA ASN A 117 10.586 6.686 -4.026 1.00 0.00 C ATOM 1719 C ASN A 117 9.218 6.795 -4.735 1.00 0.00 C ATOM 1720 O ASN A 117 8.955 6.057 -5.668 1.00 0.00 O ATOM 1721 CB ASN A 117 11.507 7.743 -4.632 1.00 0.00 C ATOM 1722 CG ASN A 117 12.952 7.374 -4.410 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.506 7.375 -3.334 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.602 7.039 -5.467 1.00 0.00 N ATOM 0 H ASN A 117 11.101 4.987 -5.215 1.00 0.00 H new ATOM 0 HA ASN A 117 10.489 6.850 -2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.309 7.837 -5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.300 8.714 -4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.585 6.774 -5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.135 7.038 -6.374 1.00 0.00 H new ATOM 1731 N TYR A 118 8.403 7.715 -4.289 1.00 0.00 N ATOM 1732 CA TYR A 118 7.077 7.884 -4.929 1.00 0.00 C ATOM 1733 C TYR A 118 6.659 9.362 -4.908 1.00 0.00 C ATOM 1734 O TYR A 118 6.844 10.089 -3.943 1.00 0.00 O ATOM 1735 CB TYR A 118 6.047 6.978 -4.192 1.00 0.00 C ATOM 1736 CG TYR A 118 5.697 7.371 -2.741 1.00 0.00 C ATOM 1737 CD1 TYR A 118 4.977 8.520 -2.462 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.083 6.558 -1.689 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.648 8.847 -1.163 1.00 0.00 C ATOM 1740 CE2 TYR A 118 5.750 6.889 -0.385 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.030 8.036 -0.127 1.00 0.00 C ATOM 1742 OH TYR A 118 4.664 8.400 1.149 1.00 0.00 O ATOM 0 H TYR A 118 8.601 8.349 -3.515 1.00 0.00 H new ATOM 0 HA TYR A 118 7.121 7.581 -5.975 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.125 6.966 -4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.433 5.959 -4.186 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.670 9.167 -3.270 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.648 5.659 -1.886 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.086 9.747 -0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.055 6.248 0.429 1.00 0.00 H new ATOM 0 HH TYR A 118 4.999 7.736 1.787 1.00 0.00 H new ATOM 1752 N GLN A 119 6.108 9.775 -6.006 1.00 0.00 N ATOM 1753 CA GLN A 119 5.638 11.193 -6.172 1.00 0.00 C ATOM 1754 C GLN A 119 4.115 11.186 -6.461 1.00 0.00 C ATOM 1755 O GLN A 119 3.651 10.250 -7.086 1.00 0.00 O ATOM 1756 CB GLN A 119 6.446 11.806 -7.359 1.00 0.00 C ATOM 1757 CG GLN A 119 7.948 12.088 -6.996 1.00 0.00 C ATOM 1758 CD GLN A 119 8.686 10.858 -6.489 1.00 0.00 C ATOM 1759 OE1 GLN A 119 8.886 9.874 -7.170 1.00 0.00 O ATOM 1760 NE2 GLN A 119 9.093 10.904 -5.259 1.00 0.00 N ATOM 0 H GLN A 119 5.955 9.183 -6.822 1.00 0.00 H new ATOM 0 HA GLN A 119 5.801 11.789 -5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.405 11.126 -8.210 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.972 12.737 -7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.461 12.474 -7.877 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.991 12.868 -6.236 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.920 11.736 -4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.587 10.108 -4.855 1.00 0.00 H new ATOM 1769 N PHE A 120 3.373 12.185 -6.035 1.00 0.00 N ATOM 1770 CA PHE A 120 1.886 12.166 -6.332 1.00 0.00 C ATOM 1771 C PHE A 120 1.674 12.417 -7.849 1.00 0.00 C ATOM 1772 O PHE A 120 2.250 13.308 -8.438 1.00 0.00 O ATOM 1773 CB PHE A 120 1.163 13.278 -5.498 1.00 0.00 C ATOM 1774 CG PHE A 120 0.990 12.877 -4.004 1.00 0.00 C ATOM 1775 CD1 PHE A 120 2.076 12.775 -3.152 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.273 12.615 -3.484 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.904 12.419 -1.823 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.444 12.263 -2.163 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.643 12.165 -1.330 1.00 0.00 C ATOM 0 H PHE A 120 3.711 12.992 -5.511 1.00 0.00 H new ATOM 0 HA PHE A 120 1.467 11.198 -6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.734 14.204 -5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.184 13.478 -5.934 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.069 12.975 -3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.137 12.689 -4.128 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.762 12.341 -1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.435 12.064 -1.782 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.510 11.890 -0.294 1.00 0.00 H new ATOM 1789 N VAL A 121 0.844 11.605 -8.436 1.00 0.00 N ATOM 1790 CA VAL A 121 0.521 11.672 -9.887 1.00 0.00 C ATOM 1791 C VAL A 121 -0.883 11.181 -10.275 1.00 0.00 C ATOM 1792 O VAL A 121 -1.488 10.471 -9.496 1.00 0.00 O ATOM 1793 CB VAL A 121 1.657 10.845 -10.569 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.129 9.633 -11.362 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.377 11.754 -11.587 1.00 0.00 C ATOM 0 H VAL A 121 0.352 10.860 -7.943 1.00 0.00 H new ATOM 0 HA VAL A 121 0.485 12.710 -10.219 1.00 0.00 H new ATOM 0 HB VAL A 121 2.309 10.486 -9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.966 9.100 -11.812 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.592 8.964 -10.689 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.455 9.977 -12.146 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.175 11.194 -12.074 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.664 12.097 -12.337 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.801 12.615 -11.070 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.345 11.597 -11.437 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.679 11.174 -11.949 1.00 0.00 C ATOM 1807 C ASP A 122 -2.433 9.857 -12.786 1.00 0.00 C ATOM 1808 O ASP A 122 -1.357 9.687 -13.323 1.00 0.00 O ATOM 1809 CB ASP A 122 -3.223 12.333 -12.820 1.00 0.00 C ATOM 1810 CG ASP A 122 -4.691 12.131 -13.141 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -5.028 11.132 -13.744 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -5.429 13.019 -12.771 1.00 0.00 O ATOM 0 H ASP A 122 -0.836 12.225 -12.059 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.410 10.967 -11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.089 13.280 -12.296 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.650 12.397 -13.745 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.370 8.960 -12.915 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.108 7.719 -13.736 1.00 0.00 C ATOM 1819 C CYS A 123 -3.496 7.978 -15.200 1.00 0.00 C ATOM 1820 O CYS A 123 -2.933 7.429 -16.124 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.928 6.531 -13.213 1.00 0.00 C ATOM 1822 SG CYS A 123 -3.361 5.611 -11.759 1.00 0.00 S ATOM 0 H CYS A 123 -4.299 9.020 -12.498 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.047 7.480 -13.660 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.930 6.900 -12.993 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.024 5.817 -14.031 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.463 8.852 -15.302 1.00 0.00 N ATOM 1828 CA ARG A 124 -5.091 9.326 -16.576 1.00 0.00 C ATOM 1829 C ARG A 124 -5.083 8.258 -17.696 1.00 0.00 C ATOM 1830 O ARG A 124 -4.382 8.361 -18.691 1.00 0.00 O ATOM 1831 CB ARG A 124 -4.331 10.631 -17.005 1.00 0.00 C ATOM 1832 CG ARG A 124 -5.194 11.453 -18.033 1.00 0.00 C ATOM 1833 CD ARG A 124 -6.220 12.423 -17.357 1.00 0.00 C ATOM 1834 NE ARG A 124 -5.532 13.756 -17.154 1.00 0.00 N ATOM 1835 CZ ARG A 124 -5.760 14.537 -16.158 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -5.824 14.066 -14.983 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -5.914 15.779 -16.398 1.00 0.00 N ATOM 0 H ARG A 124 -4.876 9.292 -14.480 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.148 9.530 -16.406 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.119 11.242 -16.127 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -3.371 10.371 -17.452 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.528 12.031 -18.673 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.733 10.759 -18.678 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.104 12.541 -17.984 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -6.557 12.018 -16.403 1.00 0.00 H new ATOM 0 HE ARG A 124 -4.847 14.053 -17.849 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -5.695 13.066 -14.826 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -6.005 14.687 -14.194 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -5.855 16.124 -17.356 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -6.096 16.428 -15.632 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.883 7.260 -17.447 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.029 6.123 -18.401 1.00 0.00 C ATOM 1853 C ASP A 125 -7.199 6.542 -19.357 1.00 0.00 C ATOM 1854 O ASP A 125 -8.348 6.264 -19.046 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.316 4.870 -17.500 1.00 0.00 C ATOM 1856 CG ASP A 125 -5.789 3.534 -18.063 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -6.070 3.151 -19.183 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -5.092 2.917 -17.270 1.00 0.00 O ATOM 1859 OXT ASP A 125 -6.872 7.147 -20.368 1.00 0.00 O ATOM 0 H ASP A 125 -6.454 7.182 -16.605 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.169 5.883 -19.026 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -5.871 5.036 -16.519 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.393 4.786 -17.351 1.00 0.00 H new