USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 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 104 THR OG1 : rot -170:sc= -0.0911 USER MOD Set 1.2: A 105 ASN : amide:sc= -0.201 K(o=-0.29,f=-4.8!) USER MOD Set 2.1: A 71 ASN : amide:sc= -1.74 K(o=-0.35,f=-2.8!) USER MOD Set 2.2: A 74 THR OG1 : rot -111:sc= 1.39 USER MOD Set 3.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 60 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.18) USER MOD Single : A 1 GLU N :NH3+ 171:sc= -0.89 (180deg=-1) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 4 ASN : amide:sc= -0.0257 K(o=-0.026,f=-1) USER MOD Single : A 9 THR OG1 : rot 144:sc= -1.62! USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 169:sc= 1.2 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.699 K(o=-0.7,f=-1.4) USER MOD Single : A 19 ASN : amide:sc= -2.37 K(o=-2.4,f=-9.5!) USER MOD Single : A 28 SER OG : rot 53:sc= 0.377 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -94:sc= 1.18 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0909 USER MOD Single : A 44 SER OG : rot -71:sc= 0.858 USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= 0.738 (180deg=0.566) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.853 K(o=-0.85,f=-1.8!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.0723 X(o=-0.072,f=-0.074) USER MOD Single : A 97 THR OG1 : rot -138:sc= 0.87 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0551 K(o=-0.055,f=-1) USER MOD Single : A 111 GLN : amide:sc= -0.0811 X(o=-0.081,f=-0.081) USER MOD Single : A 113 HIS : no HD1:sc= -1.97 K(o=-2,f=-3.9!) USER MOD Single : A 115 ASN : amide:sc= -3.39 X(o=-3.4,f=-3.2!) USER MOD Single : A 117 ASN : amide:sc= -0.0149 K(o=-0.015,f=-5.2!) USER MOD Single : A 118 TYR OH : rot 9:sc= 1.24 USER MOD Single : A 119 GLN : amide:sc= -2.37 K(o=-2.4,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.147 13.492 -0.754 1.00 0.00 N ATOM 2 CA GLU A 1 1.985 14.455 -1.519 1.00 0.00 C ATOM 3 C GLU A 1 3.246 13.778 -2.113 1.00 0.00 C ATOM 4 O GLU A 1 3.125 12.886 -2.936 1.00 0.00 O ATOM 5 CB GLU A 1 2.342 15.634 -0.549 1.00 0.00 C ATOM 6 CG GLU A 1 2.871 15.102 0.838 1.00 0.00 C ATOM 7 CD GLU A 1 3.433 16.273 1.640 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.451 16.756 1.183 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.797 16.581 2.633 1.00 0.00 O ATOM 0 H1 GLU A 1 0.399 14.008 -0.248 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.714 12.811 -1.410 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.741 12.983 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 1 1.436 14.836 -2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.099 16.268 -1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.460 16.255 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.063 14.622 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.643 14.348 0.682 1.00 0.00 H new ATOM 18 N GLN A 2 4.421 14.191 -1.704 1.00 0.00 N ATOM 19 CA GLN A 2 5.686 13.576 -2.245 1.00 0.00 C ATOM 20 C GLN A 2 6.714 13.206 -1.135 1.00 0.00 C ATOM 21 O GLN A 2 6.994 14.024 -0.281 1.00 0.00 O ATOM 22 CB GLN A 2 6.338 14.599 -3.234 1.00 0.00 C ATOM 23 CG GLN A 2 5.309 15.210 -4.257 1.00 0.00 C ATOM 24 CD GLN A 2 5.958 16.357 -5.053 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.737 17.132 -4.547 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.679 16.538 -6.303 1.00 0.00 N ATOM 0 H GLN A 2 4.565 14.930 -1.016 1.00 0.00 H new ATOM 0 HA GLN A 2 5.418 12.644 -2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.796 15.406 -2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.138 14.104 -3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.963 14.435 -4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.433 15.579 -3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.028 15.912 -6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.110 17.307 -6.816 1.00 0.00 H new ATOM 35 N ALA A 3 7.239 12.002 -1.167 1.00 0.00 N ATOM 36 CA ALA A 3 8.251 11.563 -0.153 1.00 0.00 C ATOM 37 C ALA A 3 9.426 10.858 -0.904 1.00 0.00 C ATOM 38 O ALA A 3 9.240 10.320 -1.983 1.00 0.00 O ATOM 39 CB ALA A 3 7.530 10.624 0.809 1.00 0.00 C ATOM 0 H ALA A 3 7.005 11.295 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 3 8.676 12.393 0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.229 10.276 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.707 11.155 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.138 9.769 0.258 1.00 0.00 H new ATOM 45 N ASN A 4 10.596 10.878 -0.328 1.00 0.00 N ATOM 46 CA ASN A 4 11.778 10.226 -0.984 1.00 0.00 C ATOM 47 C ASN A 4 12.662 9.440 -0.019 1.00 0.00 C ATOM 48 O ASN A 4 12.537 9.553 1.182 1.00 0.00 O ATOM 49 CB ASN A 4 12.577 11.342 -1.673 1.00 0.00 C ATOM 50 CG ASN A 4 12.681 12.521 -0.717 1.00 0.00 C ATOM 51 OD1 ASN A 4 13.029 12.428 0.435 1.00 0.00 O ATOM 52 ND2 ASN A 4 12.382 13.700 -1.130 1.00 0.00 N ATOM 0 H ASN A 4 10.791 11.318 0.572 1.00 0.00 H new ATOM 0 HA ASN A 4 11.420 9.483 -1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.571 10.985 -1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.085 11.646 -2.597 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.446 14.495 -0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.081 13.842 -2.094 1.00 0.00 H new ATOM 59 N ASP A 5 13.538 8.669 -0.595 1.00 0.00 N ATOM 60 CA ASP A 5 14.498 7.816 0.147 1.00 0.00 C ATOM 61 C ASP A 5 13.864 7.318 1.495 1.00 0.00 C ATOM 62 O ASP A 5 14.357 7.545 2.585 1.00 0.00 O ATOM 63 CB ASP A 5 15.753 8.757 0.271 1.00 0.00 C ATOM 64 CG ASP A 5 15.949 9.668 -0.968 1.00 0.00 C ATOM 65 OD1 ASP A 5 15.808 9.155 -2.066 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.230 10.834 -0.750 1.00 0.00 O ATOM 0 H ASP A 5 13.629 8.595 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 5 14.776 6.877 -0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.648 9.379 1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.645 8.147 0.412 1.00 0.00 H new ATOM 71 N VAL A 6 12.768 6.607 1.357 1.00 0.00 N ATOM 72 CA VAL A 6 12.030 6.069 2.554 1.00 0.00 C ATOM 73 C VAL A 6 12.146 4.530 2.633 1.00 0.00 C ATOM 74 O VAL A 6 12.222 3.857 1.617 1.00 0.00 O ATOM 75 CB VAL A 6 10.517 6.482 2.441 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.757 6.230 3.770 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.333 7.966 2.058 1.00 0.00 C ATOM 0 H VAL A 6 12.347 6.373 0.458 1.00 0.00 H new ATOM 0 HA VAL A 6 12.471 6.486 3.459 1.00 0.00 H new ATOM 0 HB VAL A 6 10.105 5.857 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.715 6.527 3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.807 5.171 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.215 6.815 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.269 8.196 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.796 8.598 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.803 8.154 1.093 1.00 0.00 H new ATOM 87 N ARG A 7 12.144 4.005 3.827 1.00 0.00 N ATOM 88 CA ARG A 7 12.254 2.518 3.976 1.00 0.00 C ATOM 89 C ARG A 7 10.842 1.918 3.736 1.00 0.00 C ATOM 90 O ARG A 7 9.872 2.423 4.264 1.00 0.00 O ATOM 91 CB ARG A 7 12.792 2.241 5.417 1.00 0.00 C ATOM 92 CG ARG A 7 14.221 2.845 5.549 1.00 0.00 C ATOM 93 CD ARG A 7 14.785 2.610 6.965 1.00 0.00 C ATOM 94 NE ARG A 7 16.216 3.104 6.994 1.00 0.00 N ATOM 95 CZ ARG A 7 16.499 4.334 6.800 1.00 0.00 C ATOM 96 NH1 ARG A 7 16.501 4.772 5.602 1.00 0.00 N ATOM 97 NH2 ARG A 7 16.760 5.023 7.836 1.00 0.00 N ATOM 0 H ARG A 7 12.072 4.530 4.699 1.00 0.00 H new ATOM 0 HA ARG A 7 12.937 2.059 3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.127 2.683 6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.817 1.168 5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.882 2.393 4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.190 3.914 5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.185 3.139 7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.744 1.551 7.219 1.00 0.00 H new ATOM 0 HE ARG A 7 16.970 2.440 7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.280 4.144 4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.723 5.750 5.417 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.736 4.587 8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.993 6.012 7.745 1.00 0.00 H new ATOM 111 N ALA A 8 10.741 0.875 2.952 1.00 0.00 N ATOM 112 CA ALA A 8 9.406 0.250 2.677 1.00 0.00 C ATOM 113 C ALA A 8 9.437 -1.294 2.819 1.00 0.00 C ATOM 114 O ALA A 8 10.386 -1.915 2.381 1.00 0.00 O ATOM 115 CB ALA A 8 9.019 0.692 1.241 1.00 0.00 C ATOM 0 H ALA A 8 11.529 0.425 2.487 1.00 0.00 H new ATOM 0 HA ALA A 8 8.666 0.579 3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.050 0.267 0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.962 1.780 1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.772 0.340 0.536 1.00 0.00 H new ATOM 121 N THR A 9 8.446 -1.914 3.405 1.00 0.00 N ATOM 122 CA THR A 9 8.529 -3.415 3.501 1.00 0.00 C ATOM 123 C THR A 9 7.696 -3.886 2.298 1.00 0.00 C ATOM 124 O THR A 9 7.651 -3.161 1.326 1.00 0.00 O ATOM 125 CB THR A 9 7.932 -3.932 4.851 1.00 0.00 C ATOM 126 OG1 THR A 9 6.552 -3.629 4.849 1.00 0.00 O ATOM 127 CG2 THR A 9 8.455 -3.138 6.055 1.00 0.00 C ATOM 0 H THR A 9 7.616 -1.478 3.807 1.00 0.00 H new ATOM 0 HA THR A 9 9.552 -3.791 3.483 1.00 0.00 H new ATOM 0 HB THR A 9 8.185 -4.989 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.058 -4.350 5.293 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.014 -3.532 6.970 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.540 -3.229 6.107 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.184 -2.088 5.944 1.00 0.00 H new ATOM 135 N TYR A 10 7.061 -5.021 2.292 1.00 0.00 N ATOM 136 CA TYR A 10 6.285 -5.382 1.060 1.00 0.00 C ATOM 137 C TYR A 10 5.007 -6.186 1.341 1.00 0.00 C ATOM 138 O TYR A 10 4.951 -7.397 1.232 1.00 0.00 O ATOM 139 CB TYR A 10 7.312 -6.118 0.100 1.00 0.00 C ATOM 140 CG TYR A 10 7.628 -7.572 0.467 1.00 0.00 C ATOM 141 CD1 TYR A 10 7.840 -7.963 1.773 1.00 0.00 C ATOM 142 CD2 TYR A 10 7.698 -8.524 -0.535 1.00 0.00 C ATOM 143 CE1 TYR A 10 8.113 -9.276 2.076 1.00 0.00 C ATOM 144 CE2 TYR A 10 7.972 -9.838 -0.222 1.00 0.00 C ATOM 145 CZ TYR A 10 8.180 -10.214 1.082 1.00 0.00 C ATOM 146 OH TYR A 10 8.462 -11.522 1.397 1.00 0.00 O ATOM 0 H TYR A 10 7.039 -5.699 3.054 1.00 0.00 H new ATOM 0 HA TYR A 10 5.887 -4.487 0.582 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.915 -6.095 -0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.244 -5.553 0.091 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.791 -7.230 2.565 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.538 -8.237 -1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.275 -9.568 3.103 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.023 -10.577 -1.008 1.00 0.00 H new ATOM 0 HH TYR A 10 8.472 -12.061 0.578 1.00 0.00 H new ATOM 156 N HIS A 11 3.977 -5.466 1.706 1.00 0.00 N ATOM 157 CA HIS A 11 2.685 -6.138 1.998 1.00 0.00 C ATOM 158 C HIS A 11 1.859 -5.785 0.740 1.00 0.00 C ATOM 159 O HIS A 11 1.163 -4.784 0.671 1.00 0.00 O ATOM 160 CB HIS A 11 2.094 -5.550 3.322 1.00 0.00 C ATOM 161 CG HIS A 11 0.962 -6.461 3.840 1.00 0.00 C ATOM 162 ND1 HIS A 11 0.520 -6.475 5.056 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.189 -7.418 3.200 1.00 0.00 C ATOM 164 CE1 HIS A 11 -0.432 -7.349 5.176 1.00 0.00 C ATOM 165 NE2 HIS A 11 -0.669 -7.958 4.041 1.00 0.00 N ATOM 0 H HIS A 11 3.978 -4.452 1.812 1.00 0.00 H new ATOM 0 HA HIS A 11 2.728 -7.214 2.165 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.878 -5.465 4.075 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.712 -4.545 3.145 1.00 0.00 H new ATOM 0 HD1 HIS A 11 0.869 -5.885 5.811 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.278 -7.684 2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.962 -7.549 6.096 1.00 0.00 H new ATOM 173 N TYR A 12 2.032 -6.673 -0.212 1.00 0.00 N ATOM 174 CA TYR A 12 1.366 -6.607 -1.546 1.00 0.00 C ATOM 175 C TYR A 12 0.054 -7.404 -1.465 1.00 0.00 C ATOM 176 O TYR A 12 -0.026 -8.573 -1.804 1.00 0.00 O ATOM 177 CB TYR A 12 2.327 -7.217 -2.628 1.00 0.00 C ATOM 178 CG TYR A 12 2.933 -8.559 -2.164 1.00 0.00 C ATOM 179 CD1 TYR A 12 4.029 -8.549 -1.333 1.00 0.00 C ATOM 180 CD2 TYR A 12 2.406 -9.783 -2.549 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.578 -9.733 -0.898 1.00 0.00 C ATOM 182 CE2 TYR A 12 2.966 -10.969 -2.104 1.00 0.00 C ATOM 183 CZ TYR A 12 4.057 -10.937 -1.276 1.00 0.00 C ATOM 184 OH TYR A 12 4.640 -12.094 -0.811 1.00 0.00 O ATOM 0 H TYR A 12 2.643 -7.483 -0.106 1.00 0.00 H new ATOM 0 HA TYR A 12 1.144 -5.577 -1.825 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.779 -7.368 -3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.129 -6.510 -2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.460 -7.609 -1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.548 -9.812 -3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.438 -9.710 -0.245 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.544 -11.915 -2.409 1.00 0.00 H new ATOM 0 HH TYR A 12 4.157 -12.869 -1.166 1.00 0.00 H new ATOM 194 N TYR A 13 -0.965 -6.745 -1.000 1.00 0.00 N ATOM 195 CA TYR A 13 -2.267 -7.496 -0.909 1.00 0.00 C ATOM 196 C TYR A 13 -2.611 -7.798 -2.388 1.00 0.00 C ATOM 197 O TYR A 13 -2.464 -6.881 -3.184 1.00 0.00 O ATOM 198 CB TYR A 13 -3.319 -6.588 -0.258 1.00 0.00 C ATOM 199 CG TYR A 13 -4.139 -7.382 0.759 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.540 -7.786 1.932 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.464 -7.705 0.531 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.253 -8.505 2.868 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.171 -8.426 1.475 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.569 -8.826 2.643 1.00 0.00 C ATOM 205 OH TYR A 13 -6.271 -9.540 3.586 1.00 0.00 O ATOM 0 H TYR A 13 -0.971 -5.773 -0.691 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.223 -8.405 -0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.831 -5.747 0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.976 -6.173 -1.022 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.506 -7.538 2.120 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.946 -7.394 -0.384 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.773 -8.818 3.784 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.205 -8.677 1.293 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.224 -9.532 3.359 1.00 0.00 H new ATOM 215 N ARG A 14 -3.040 -9.027 -2.655 1.00 0.00 N ATOM 216 CA ARG A 14 -3.407 -9.503 -4.048 1.00 0.00 C ATOM 217 C ARG A 14 -4.913 -9.892 -4.273 1.00 0.00 C ATOM 218 O ARG A 14 -5.238 -10.988 -4.706 1.00 0.00 O ATOM 219 CB ARG A 14 -2.396 -10.707 -4.344 1.00 0.00 C ATOM 220 CG ARG A 14 -2.487 -11.279 -5.805 1.00 0.00 C ATOM 221 CD ARG A 14 -1.595 -12.553 -5.961 1.00 0.00 C ATOM 222 NE ARG A 14 -0.150 -12.144 -5.850 1.00 0.00 N ATOM 223 CZ ARG A 14 0.834 -12.960 -5.754 1.00 0.00 C ATOM 224 NH1 ARG A 14 1.055 -13.770 -6.709 1.00 0.00 N ATOM 225 NH2 ARG A 14 1.507 -12.867 -4.686 1.00 0.00 N ATOM 0 H ARG A 14 -3.154 -9.743 -1.938 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.306 -8.680 -4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.377 -10.364 -4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.592 -11.513 -3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.523 -11.524 -6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.170 -10.518 -6.518 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.841 -13.284 -5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.781 -13.029 -6.924 1.00 0.00 H new ATOM 0 HE ARG A 14 0.061 -11.146 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.454 -13.763 -7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.833 -14.427 -6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.249 -12.178 -3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.307 -13.481 -4.532 1.00 0.00 H new ATOM 239 N PRO A 15 -5.819 -8.968 -3.995 1.00 0.00 N ATOM 240 CA PRO A 15 -7.275 -9.159 -4.281 1.00 0.00 C ATOM 241 C PRO A 15 -7.512 -9.914 -5.591 1.00 0.00 C ATOM 242 O PRO A 15 -8.316 -10.820 -5.650 1.00 0.00 O ATOM 243 CB PRO A 15 -7.829 -7.779 -4.311 1.00 0.00 C ATOM 244 CG PRO A 15 -6.985 -7.041 -3.283 1.00 0.00 C ATOM 245 CD PRO A 15 -5.559 -7.626 -3.394 1.00 0.00 C ATOM 0 HA PRO A 15 -7.765 -9.777 -3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.740 -7.331 -5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.887 -7.764 -4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.982 -5.969 -3.479 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.385 -7.180 -2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.915 -7.014 -4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.072 -7.702 -2.422 1.00 0.00 H new ATOM 253 N ALA A 16 -6.802 -9.494 -6.609 1.00 0.00 N ATOM 254 CA ALA A 16 -6.900 -10.117 -7.966 1.00 0.00 C ATOM 255 C ALA A 16 -7.187 -11.636 -7.961 1.00 0.00 C ATOM 256 O ALA A 16 -7.889 -12.069 -8.856 1.00 0.00 O ATOM 257 CB ALA A 16 -5.590 -9.814 -8.736 1.00 0.00 C ATOM 0 H ALA A 16 -6.138 -8.721 -6.553 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.766 -9.675 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.640 -10.260 -9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.463 -8.735 -8.828 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.743 -10.233 -8.193 1.00 0.00 H new ATOM 263 N GLN A 17 -6.657 -12.371 -6.996 1.00 0.00 N ATOM 264 CA GLN A 17 -6.887 -13.864 -6.910 1.00 0.00 C ATOM 265 C GLN A 17 -8.304 -14.231 -7.414 1.00 0.00 C ATOM 266 O GLN A 17 -8.454 -15.163 -8.178 1.00 0.00 O ATOM 267 CB GLN A 17 -6.680 -14.310 -5.431 1.00 0.00 C ATOM 268 CG GLN A 17 -6.694 -15.881 -5.365 1.00 0.00 C ATOM 269 CD GLN A 17 -6.531 -16.368 -3.927 1.00 0.00 C ATOM 270 OE1 GLN A 17 -7.298 -16.036 -3.053 1.00 0.00 O ATOM 271 NE2 GLN A 17 -5.563 -17.158 -3.603 1.00 0.00 N ATOM 0 H GLN A 17 -6.067 -11.994 -6.254 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.176 -14.387 -7.549 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.734 -13.925 -5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.468 -13.899 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.630 -16.258 -5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.890 -16.282 -5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.894 -17.462 -4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.467 -17.479 -2.639 1.00 0.00 H new ATOM 280 N ASN A 18 -9.295 -13.491 -6.970 1.00 0.00 N ATOM 281 CA ASN A 18 -10.711 -13.737 -7.396 1.00 0.00 C ATOM 282 C ASN A 18 -11.105 -12.483 -8.233 1.00 0.00 C ATOM 283 O ASN A 18 -11.958 -11.704 -7.854 1.00 0.00 O ATOM 284 CB ASN A 18 -11.586 -13.888 -6.117 1.00 0.00 C ATOM 285 CG ASN A 18 -12.969 -14.511 -6.437 1.00 0.00 C ATOM 286 OD1 ASN A 18 -13.262 -14.910 -7.543 1.00 0.00 O ATOM 287 ND2 ASN A 18 -13.874 -14.637 -5.522 1.00 0.00 N ATOM 0 H ASN A 18 -9.179 -12.714 -6.319 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.846 -14.643 -7.987 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.065 -14.513 -5.392 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.726 -12.911 -5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.776 -15.054 -5.751 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.686 -14.319 -4.571 1.00 0.00 H new ATOM 294 N ASN A 19 -10.442 -12.321 -9.360 1.00 0.00 N ATOM 295 CA ASN A 19 -10.674 -11.164 -10.318 1.00 0.00 C ATOM 296 C ASN A 19 -10.976 -9.867 -9.500 1.00 0.00 C ATOM 297 O ASN A 19 -11.824 -9.051 -9.821 1.00 0.00 O ATOM 298 CB ASN A 19 -11.859 -11.608 -11.218 1.00 0.00 C ATOM 299 CG ASN A 19 -11.895 -10.817 -12.511 1.00 0.00 C ATOM 300 OD1 ASN A 19 -12.072 -9.618 -12.532 1.00 0.00 O ATOM 301 ND2 ASN A 19 -11.728 -11.437 -13.631 1.00 0.00 N ATOM 0 H ASN A 19 -9.718 -12.967 -9.674 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.808 -10.930 -10.937 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.770 -12.671 -11.442 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.797 -11.473 -10.680 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.747 -10.918 -14.509 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.577 -12.446 -13.638 1.00 0.00 H new ATOM 308 N TRP A 20 -10.173 -9.783 -8.473 1.00 0.00 N ATOM 309 CA TRP A 20 -10.157 -8.719 -7.437 1.00 0.00 C ATOM 310 C TRP A 20 -11.638 -8.524 -6.951 1.00 0.00 C ATOM 311 O TRP A 20 -12.337 -7.571 -7.268 1.00 0.00 O ATOM 312 CB TRP A 20 -9.607 -7.307 -7.927 1.00 0.00 C ATOM 313 CG TRP A 20 -8.760 -7.018 -9.176 1.00 0.00 C ATOM 314 CD1 TRP A 20 -9.313 -7.079 -10.368 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.480 -6.600 -9.326 1.00 0.00 C ATOM 316 NE1 TRP A 20 -8.352 -6.685 -11.209 1.00 0.00 N ATOM 317 CE2 TRP A 20 -7.175 -6.364 -10.661 1.00 0.00 C ATOM 318 CE3 TRP A 20 -6.530 -6.376 -8.370 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.877 -5.892 -10.971 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -5.286 -5.920 -8.717 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.954 -5.677 -9.999 1.00 0.00 C ATOM 0 H TRP A 20 -9.457 -10.489 -8.303 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.473 -9.050 -6.655 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.489 -6.674 -8.025 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -9.027 -6.919 -7.090 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.321 -7.381 -10.613 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.508 -6.632 -12.216 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -6.762 -6.560 -7.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.616 -5.699 -12.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -4.553 -5.751 -7.942 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.968 -5.316 -10.250 1.00 0.00 H new ATOM 332 N ASP A 21 -12.018 -9.517 -6.182 1.00 0.00 N ATOM 333 CA ASP A 21 -13.361 -9.644 -5.544 1.00 0.00 C ATOM 334 C ASP A 21 -13.268 -8.877 -4.223 1.00 0.00 C ATOM 335 O ASP A 21 -13.309 -9.370 -3.111 1.00 0.00 O ATOM 336 CB ASP A 21 -13.671 -11.172 -5.324 1.00 0.00 C ATOM 337 CG ASP A 21 -15.019 -11.438 -4.631 1.00 0.00 C ATOM 338 OD1 ASP A 21 -15.622 -10.491 -4.144 1.00 0.00 O ATOM 339 OD2 ASP A 21 -15.384 -12.601 -4.615 1.00 0.00 O ATOM 0 H ASP A 21 -11.400 -10.298 -5.959 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.169 -9.238 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.663 -11.678 -6.290 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.873 -11.613 -4.727 1.00 0.00 H new ATOM 344 N LEU A 22 -13.109 -7.598 -4.427 1.00 0.00 N ATOM 345 CA LEU A 22 -13.009 -6.648 -3.294 1.00 0.00 C ATOM 346 C LEU A 22 -14.140 -6.859 -2.281 1.00 0.00 C ATOM 347 O LEU A 22 -14.011 -6.478 -1.132 1.00 0.00 O ATOM 348 CB LEU A 22 -13.049 -5.247 -3.879 1.00 0.00 C ATOM 349 CG LEU A 22 -11.841 -4.947 -4.795 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.897 -3.439 -5.045 1.00 0.00 C ATOM 351 CD2 LEU A 22 -10.541 -5.267 -4.011 1.00 0.00 C ATOM 0 H LEU A 22 -13.044 -7.168 -5.350 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.080 -6.809 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.970 -5.122 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.074 -4.520 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.860 -5.526 -5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.069 -3.146 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.840 -3.185 -5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.822 -2.910 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.676 -5.061 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.494 -4.646 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.539 -6.318 -3.724 1.00 0.00 H new ATOM 363 N GLY A 23 -15.199 -7.457 -2.766 1.00 0.00 N ATOM 364 CA GLY A 23 -16.391 -7.743 -1.898 1.00 0.00 C ATOM 365 C GLY A 23 -15.964 -8.705 -0.788 1.00 0.00 C ATOM 366 O GLY A 23 -16.287 -8.524 0.372 1.00 0.00 O ATOM 0 H GLY A 23 -15.293 -7.763 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.778 -6.818 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.194 -8.181 -2.490 1.00 0.00 H new ATOM 370 N ALA A 24 -15.251 -9.721 -1.199 1.00 0.00 N ATOM 371 CA ALA A 24 -14.727 -10.773 -0.262 1.00 0.00 C ATOM 372 C ALA A 24 -14.219 -10.183 1.099 1.00 0.00 C ATOM 373 O ALA A 24 -13.179 -9.545 1.111 1.00 0.00 O ATOM 374 CB ALA A 24 -13.583 -11.502 -0.994 1.00 0.00 C ATOM 0 H ALA A 24 -15.000 -9.874 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.537 -11.454 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.173 -12.277 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.967 -11.957 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.799 -10.788 -1.247 1.00 0.00 H new ATOM 380 N PRO A 25 -14.913 -10.365 2.204 1.00 0.00 N ATOM 381 CA PRO A 25 -14.597 -9.654 3.488 1.00 0.00 C ATOM 382 C PRO A 25 -13.085 -9.397 3.726 1.00 0.00 C ATOM 383 O PRO A 25 -12.671 -8.305 4.041 1.00 0.00 O ATOM 384 CB PRO A 25 -15.254 -10.538 4.584 1.00 0.00 C ATOM 385 CG PRO A 25 -15.924 -11.736 3.828 1.00 0.00 C ATOM 386 CD PRO A 25 -16.060 -11.296 2.355 1.00 0.00 C ATOM 0 HA PRO A 25 -14.992 -8.638 3.484 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.510 -10.894 5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.993 -9.972 5.151 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -15.316 -12.637 3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.899 -11.969 4.256 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -15.993 -12.140 1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.013 -10.804 2.163 1.00 0.00 H new ATOM 394 N ALA A 26 -12.323 -10.446 3.562 1.00 0.00 N ATOM 395 CA ALA A 26 -10.832 -10.428 3.741 1.00 0.00 C ATOM 396 C ALA A 26 -10.075 -9.267 3.036 1.00 0.00 C ATOM 397 O ALA A 26 -8.921 -9.022 3.330 1.00 0.00 O ATOM 398 CB ALA A 26 -10.332 -11.822 3.257 1.00 0.00 C ATOM 0 H ALA A 26 -12.689 -11.361 3.298 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.612 -10.238 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.248 -11.876 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.794 -12.604 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.604 -11.963 2.211 1.00 0.00 H new ATOM 404 N VAL A 27 -10.744 -8.619 2.128 1.00 0.00 N ATOM 405 CA VAL A 27 -10.163 -7.477 1.356 1.00 0.00 C ATOM 406 C VAL A 27 -10.817 -6.130 1.691 1.00 0.00 C ATOM 407 O VAL A 27 -10.199 -5.217 2.198 1.00 0.00 O ATOM 408 CB VAL A 27 -10.353 -7.708 -0.151 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.421 -6.751 -0.880 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.063 -9.175 -0.572 1.00 0.00 C ATOM 0 H VAL A 27 -11.708 -8.840 1.877 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.109 -7.437 1.633 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.395 -7.522 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.529 -6.887 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.675 -5.724 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.390 -6.955 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.213 -9.282 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.033 -9.428 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.740 -9.846 -0.043 1.00 0.00 H new ATOM 420 N SER A 28 -12.076 -6.102 1.350 1.00 0.00 N ATOM 421 CA SER A 28 -12.966 -4.927 1.547 1.00 0.00 C ATOM 422 C SER A 28 -12.297 -3.505 1.496 1.00 0.00 C ATOM 423 O SER A 28 -12.237 -2.783 2.473 1.00 0.00 O ATOM 424 CB SER A 28 -13.697 -5.110 2.896 1.00 0.00 C ATOM 425 OG SER A 28 -12.640 -5.070 3.851 1.00 0.00 O ATOM 0 H SER A 28 -12.547 -6.896 0.917 1.00 0.00 H new ATOM 0 HA SER A 28 -13.635 -4.922 0.687 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.426 -4.318 3.069 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.238 -6.055 2.935 1.00 0.00 H new ATOM 0 HG SER A 28 -12.110 -4.256 3.719 1.00 0.00 H new ATOM 431 N ALA A 29 -11.820 -3.131 0.325 1.00 0.00 N ATOM 432 CA ALA A 29 -11.136 -1.801 0.081 1.00 0.00 C ATOM 433 C ALA A 29 -12.047 -0.552 0.053 1.00 0.00 C ATOM 434 O ALA A 29 -13.201 -0.650 -0.323 1.00 0.00 O ATOM 435 CB ALA A 29 -10.392 -1.963 -1.251 1.00 0.00 C ATOM 0 H ALA A 29 -11.878 -3.716 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.485 -1.595 0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.872 -1.036 -1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.668 -2.774 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.106 -2.194 -2.041 1.00 0.00 H new ATOM 441 N TYR A 30 -11.493 0.586 0.439 1.00 0.00 N ATOM 442 CA TYR A 30 -12.302 1.847 0.443 1.00 0.00 C ATOM 443 C TYR A 30 -13.421 1.996 -0.579 1.00 0.00 C ATOM 444 O TYR A 30 -14.590 1.922 -0.241 1.00 0.00 O ATOM 445 CB TYR A 30 -11.350 3.088 0.301 1.00 0.00 C ATOM 446 CG TYR A 30 -11.553 3.960 1.551 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.646 4.804 1.503 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.761 3.961 2.683 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.956 5.633 2.555 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.087 4.798 3.749 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.185 5.634 3.686 1.00 0.00 C ATOM 452 OH TYR A 30 -12.530 6.463 4.734 1.00 0.00 O ATOM 0 H TYR A 30 -10.526 0.689 0.747 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.818 1.789 1.401 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.311 2.769 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.583 3.651 -0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.269 4.813 0.621 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.895 3.318 2.742 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.813 6.287 2.489 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.472 4.793 4.637 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.888 6.350 5.466 1.00 0.00 H new ATOM 462 N CYS A 31 -13.047 2.176 -1.808 1.00 0.00 N ATOM 463 CA CYS A 31 -14.110 2.341 -2.830 1.00 0.00 C ATOM 464 C CYS A 31 -14.429 1.018 -3.506 1.00 0.00 C ATOM 465 O CYS A 31 -14.587 0.961 -4.700 1.00 0.00 O ATOM 466 CB CYS A 31 -13.607 3.454 -3.833 1.00 0.00 C ATOM 467 SG CYS A 31 -13.018 4.968 -3.024 1.00 0.00 S ATOM 0 H CYS A 31 -12.085 2.216 -2.144 1.00 0.00 H new ATOM 0 HA CYS A 31 -15.052 2.658 -2.384 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.801 3.043 -4.441 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -14.420 3.710 -4.512 1.00 0.00 H new ATOM 472 N ALA A 32 -14.526 -0.044 -2.740 1.00 0.00 N ATOM 473 CA ALA A 32 -14.856 -1.356 -3.384 1.00 0.00 C ATOM 474 C ALA A 32 -16.327 -1.306 -3.833 1.00 0.00 C ATOM 475 O ALA A 32 -16.588 -1.301 -5.018 1.00 0.00 O ATOM 476 CB ALA A 32 -14.627 -2.469 -2.355 1.00 0.00 C ATOM 0 H ALA A 32 -14.396 -0.062 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.227 -1.551 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.862 -3.434 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.585 -2.461 -2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.271 -2.304 -1.491 1.00 0.00 H new ATOM 482 N THR A 33 -17.223 -1.261 -2.874 1.00 0.00 N ATOM 483 CA THR A 33 -18.711 -1.209 -3.143 1.00 0.00 C ATOM 484 C THR A 33 -19.057 -0.333 -4.347 1.00 0.00 C ATOM 485 O THR A 33 -19.984 -0.592 -5.089 1.00 0.00 O ATOM 486 CB THR A 33 -19.439 -0.682 -1.865 1.00 0.00 C ATOM 487 OG1 THR A 33 -20.312 -1.741 -1.510 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.434 0.450 -2.102 1.00 0.00 C ATOM 0 H THR A 33 -16.983 -1.258 -1.883 1.00 0.00 H new ATOM 0 HA THR A 33 -19.046 -2.218 -3.383 1.00 0.00 H new ATOM 0 HB THR A 33 -18.667 -0.353 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 33 -20.815 -1.495 -0.706 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.884 0.743 -1.154 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.916 1.305 -2.537 1.00 0.00 H new ATOM 0 HG23 THR A 33 -21.214 0.112 -2.785 1.00 0.00 H new ATOM 496 N TRP A 34 -18.272 0.698 -4.485 1.00 0.00 N ATOM 497 CA TRP A 34 -18.436 1.681 -5.589 1.00 0.00 C ATOM 498 C TRP A 34 -17.619 1.383 -6.851 1.00 0.00 C ATOM 499 O TRP A 34 -18.212 1.335 -7.907 1.00 0.00 O ATOM 500 CB TRP A 34 -18.073 3.065 -5.015 1.00 0.00 C ATOM 501 CG TRP A 34 -19.194 3.513 -4.077 1.00 0.00 C ATOM 502 CD1 TRP A 34 -20.519 3.510 -4.392 1.00 0.00 C ATOM 503 CD2 TRP A 34 -19.035 3.973 -2.825 1.00 0.00 C ATOM 504 NE1 TRP A 34 -21.072 3.974 -3.291 1.00 0.00 N ATOM 505 CE2 TRP A 34 -20.260 4.281 -2.293 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.891 4.160 -2.084 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -20.348 4.778 -1.014 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.965 4.660 -0.793 1.00 0.00 C ATOM 509 CH2 TRP A 34 -19.205 4.968 -0.261 1.00 0.00 C ATOM 0 H TRP A 34 -17.497 0.905 -3.855 1.00 0.00 H new ATOM 0 HA TRP A 34 -19.470 1.631 -5.931 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -17.127 3.015 -4.477 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.943 3.787 -5.821 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.995 3.204 -5.312 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -22.082 4.092 -3.211 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.929 3.916 -2.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -21.314 5.021 -0.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -17.067 4.807 -0.211 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -19.279 5.357 0.744 1.00 0.00 H new ATOM 520 N ASP A 35 -16.336 1.166 -6.790 1.00 0.00 N ATOM 521 CA ASP A 35 -15.556 0.890 -8.041 1.00 0.00 C ATOM 522 C ASP A 35 -15.613 -0.535 -8.535 1.00 0.00 C ATOM 523 O ASP A 35 -15.487 -0.791 -9.716 1.00 0.00 O ATOM 524 CB ASP A 35 -14.108 1.289 -7.786 1.00 0.00 C ATOM 525 CG ASP A 35 -13.969 2.803 -7.739 1.00 0.00 C ATOM 526 OD1 ASP A 35 -14.825 3.478 -8.295 1.00 0.00 O ATOM 527 OD2 ASP A 35 -12.977 3.169 -7.144 1.00 0.00 O ATOM 0 H ASP A 35 -15.788 1.167 -5.930 1.00 0.00 H new ATOM 0 HA ASP A 35 -16.018 1.477 -8.835 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.767 0.858 -6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.470 0.884 -8.572 1.00 0.00 H new ATOM 532 N ALA A 36 -15.809 -1.440 -7.615 1.00 0.00 N ATOM 533 CA ALA A 36 -15.891 -2.897 -7.952 1.00 0.00 C ATOM 534 C ALA A 36 -17.049 -3.148 -8.943 1.00 0.00 C ATOM 535 O ALA A 36 -17.194 -4.214 -9.510 1.00 0.00 O ATOM 536 CB ALA A 36 -16.103 -3.661 -6.639 1.00 0.00 C ATOM 0 H ALA A 36 -15.918 -1.230 -6.623 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.976 -3.240 -8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.168 -4.729 -6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.265 -3.471 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.027 -3.326 -6.168 1.00 0.00 H new ATOM 542 N SER A 37 -17.838 -2.127 -9.121 1.00 0.00 N ATOM 543 CA SER A 37 -19.005 -2.210 -10.052 1.00 0.00 C ATOM 544 C SER A 37 -18.598 -1.785 -11.483 1.00 0.00 C ATOM 545 O SER A 37 -19.401 -1.850 -12.396 1.00 0.00 O ATOM 546 CB SER A 37 -20.103 -1.303 -9.491 1.00 0.00 C ATOM 547 OG SER A 37 -19.638 0.008 -9.794 1.00 0.00 O ATOM 0 H SER A 37 -17.725 -1.226 -8.657 1.00 0.00 H new ATOM 0 HA SER A 37 -19.368 -3.235 -10.123 1.00 0.00 H new ATOM 0 HB2 SER A 37 -21.067 -1.505 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.232 -1.445 -8.418 1.00 0.00 H new ATOM 0 HG SER A 37 -19.143 0.365 -9.027 1.00 0.00 H new ATOM 553 N LYS A 38 -17.367 -1.365 -11.647 1.00 0.00 N ATOM 554 CA LYS A 38 -16.866 -0.940 -12.987 1.00 0.00 C ATOM 555 C LYS A 38 -16.262 -2.141 -13.736 1.00 0.00 C ATOM 556 O LYS A 38 -15.723 -3.037 -13.112 1.00 0.00 O ATOM 557 CB LYS A 38 -15.783 0.134 -12.809 1.00 0.00 C ATOM 558 CG LYS A 38 -16.413 1.294 -11.997 1.00 0.00 C ATOM 559 CD LYS A 38 -15.402 2.446 -11.962 1.00 0.00 C ATOM 560 CE LYS A 38 -15.929 3.578 -12.799 1.00 0.00 C ATOM 561 NZ LYS A 38 -14.833 4.584 -12.878 1.00 0.00 N ATOM 0 H LYS A 38 -16.680 -1.299 -10.896 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.700 -0.540 -13.564 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.918 -0.275 -12.287 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.432 0.490 -13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.346 1.619 -12.457 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.653 0.966 -10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.243 2.778 -10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.437 2.113 -12.343 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.209 3.229 -13.793 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.823 4.011 -12.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.146 5.394 -13.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.591 4.909 -11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.996 4.152 -13.319 1.00 0.00 H new ATOM 575 N PRO A 39 -16.357 -2.145 -15.048 1.00 0.00 N ATOM 576 CA PRO A 39 -15.611 -3.126 -15.881 1.00 0.00 C ATOM 577 C PRO A 39 -14.088 -3.131 -15.624 1.00 0.00 C ATOM 578 O PRO A 39 -13.457 -2.112 -15.398 1.00 0.00 O ATOM 579 CB PRO A 39 -15.990 -2.747 -17.324 1.00 0.00 C ATOM 580 CG PRO A 39 -16.403 -1.254 -17.209 1.00 0.00 C ATOM 581 CD PRO A 39 -17.180 -1.222 -15.887 1.00 0.00 C ATOM 0 HA PRO A 39 -15.882 -4.154 -15.641 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -15.151 -2.880 -18.008 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.808 -3.362 -17.699 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.536 -0.594 -17.185 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -17.021 -0.938 -18.050 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.233 -0.219 -15.465 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -18.205 -1.574 -16.003 1.00 0.00 H new ATOM 589 N LEU A 40 -13.558 -4.323 -15.690 1.00 0.00 N ATOM 590 CA LEU A 40 -12.115 -4.603 -15.477 1.00 0.00 C ATOM 591 C LEU A 40 -11.086 -3.620 -16.047 1.00 0.00 C ATOM 592 O LEU A 40 -10.061 -3.308 -15.465 1.00 0.00 O ATOM 593 CB LEU A 40 -11.894 -5.995 -16.042 1.00 0.00 C ATOM 594 CG LEU A 40 -12.096 -7.031 -14.947 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.246 -8.383 -15.630 1.00 0.00 C ATOM 596 CD2 LEU A 40 -10.777 -7.072 -14.126 1.00 0.00 C ATOM 0 H LEU A 40 -14.105 -5.159 -15.896 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.929 -4.498 -14.408 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.587 -6.179 -16.863 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.887 -6.076 -16.451 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.959 -6.803 -14.321 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.393 -9.157 -14.877 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.106 -8.359 -16.299 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.346 -8.602 -16.204 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.870 -7.804 -13.324 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.951 -7.353 -14.779 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.584 -6.088 -13.699 1.00 0.00 H new ATOM 608 N SER A 41 -11.438 -3.162 -17.202 1.00 0.00 N ATOM 609 CA SER A 41 -10.669 -2.226 -18.020 1.00 0.00 C ATOM 610 C SER A 41 -9.590 -1.383 -17.322 1.00 0.00 C ATOM 611 O SER A 41 -8.407 -1.657 -17.343 1.00 0.00 O ATOM 612 CB SER A 41 -11.758 -1.363 -18.708 1.00 0.00 C ATOM 613 OG SER A 41 -12.591 -2.316 -19.367 1.00 0.00 O ATOM 0 H SER A 41 -12.316 -3.434 -17.643 1.00 0.00 H new ATOM 0 HA SER A 41 -10.035 -2.786 -18.707 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.320 -0.777 -17.981 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.321 -0.659 -19.416 1.00 0.00 H new ATOM 0 HG SER A 41 -13.317 -1.850 -19.832 1.00 0.00 H new ATOM 619 N TRP A 42 -10.108 -0.382 -16.695 1.00 0.00 N ATOM 620 CA TRP A 42 -9.405 0.668 -15.937 1.00 0.00 C ATOM 621 C TRP A 42 -9.174 0.028 -14.560 1.00 0.00 C ATOM 622 O TRP A 42 -8.114 0.133 -13.985 1.00 0.00 O ATOM 623 CB TRP A 42 -10.420 1.585 -15.944 1.00 0.00 C ATOM 624 CG TRP A 42 -10.810 2.891 -16.346 1.00 0.00 C ATOM 625 CD1 TRP A 42 -10.176 3.948 -16.701 1.00 0.00 C ATOM 626 CD2 TRP A 42 -12.096 3.019 -16.493 1.00 0.00 C ATOM 627 NE1 TRP A 42 -11.154 4.754 -17.117 1.00 0.00 N ATOM 628 CE2 TRP A 42 -12.405 4.248 -17.026 1.00 0.00 C ATOM 629 CE3 TRP A 42 -12.992 1.984 -16.126 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -13.757 4.458 -17.251 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -14.325 2.238 -16.371 1.00 0.00 C ATOM 632 CH2 TRP A 42 -14.688 3.461 -16.931 1.00 0.00 C ATOM 0 H TRP A 42 -11.118 -0.240 -16.682 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.452 1.077 -16.273 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.211 0.995 -16.407 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.643 1.636 -14.878 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -9.113 4.138 -16.671 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.971 5.690 -17.480 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.653 1.059 -15.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.093 5.393 -17.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -15.076 1.500 -16.132 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -15.733 3.649 -17.127 1.00 0.00 H new ATOM 643 N ARG A 43 -10.278 -0.563 -14.158 1.00 0.00 N ATOM 644 CA ARG A 43 -10.447 -1.269 -12.877 1.00 0.00 C ATOM 645 C ARG A 43 -9.065 -1.775 -12.313 1.00 0.00 C ATOM 646 O ARG A 43 -8.637 -1.596 -11.191 1.00 0.00 O ATOM 647 CB ARG A 43 -11.375 -2.474 -13.048 1.00 0.00 C ATOM 648 CG ARG A 43 -12.332 -2.594 -11.821 1.00 0.00 C ATOM 649 CD ARG A 43 -13.193 -3.875 -11.977 1.00 0.00 C ATOM 650 NE ARG A 43 -12.246 -5.045 -11.919 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.385 -6.050 -11.129 1.00 0.00 C ATOM 652 NH1 ARG A 43 -12.287 -5.873 -9.871 1.00 0.00 N ATOM 653 NH2 ARG A 43 -12.596 -7.199 -11.643 1.00 0.00 N ATOM 0 H ARG A 43 -11.124 -0.573 -14.727 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.882 -0.559 -12.173 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.957 -2.367 -13.964 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.785 -3.385 -13.149 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.756 -2.638 -10.897 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.973 -1.715 -11.756 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.937 -3.940 -11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.736 -3.863 -12.922 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.442 -5.040 -12.547 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.100 -4.941 -9.500 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.395 -6.663 -9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.650 -7.302 -12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.710 -8.014 -11.040 1.00 0.00 H new ATOM 667 N SER A 44 -8.430 -2.456 -13.240 1.00 0.00 N ATOM 668 CA SER A 44 -7.065 -3.086 -13.087 1.00 0.00 C ATOM 669 C SER A 44 -6.026 -2.075 -13.638 1.00 0.00 C ATOM 670 O SER A 44 -5.009 -1.890 -13.005 1.00 0.00 O ATOM 671 CB SER A 44 -6.980 -4.402 -13.902 1.00 0.00 C ATOM 672 OG SER A 44 -7.419 -4.158 -15.239 1.00 0.00 O ATOM 0 H SER A 44 -8.831 -2.613 -14.165 1.00 0.00 H new ATOM 0 HA SER A 44 -6.875 -3.320 -12.040 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.956 -4.776 -13.906 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.598 -5.171 -13.439 1.00 0.00 H new ATOM 0 HG SER A 44 -8.387 -4.006 -15.243 1.00 0.00 H new ATOM 678 N LYS A 45 -6.255 -1.448 -14.784 1.00 0.00 N ATOM 679 CA LYS A 45 -5.301 -0.421 -15.398 1.00 0.00 C ATOM 680 C LYS A 45 -4.554 0.414 -14.314 1.00 0.00 C ATOM 681 O LYS A 45 -3.344 0.339 -14.157 1.00 0.00 O ATOM 682 CB LYS A 45 -6.150 0.505 -16.291 1.00 0.00 C ATOM 683 CG LYS A 45 -5.322 1.522 -17.116 1.00 0.00 C ATOM 684 CD LYS A 45 -6.296 2.658 -17.695 1.00 0.00 C ATOM 685 CE LYS A 45 -7.050 2.316 -19.026 1.00 0.00 C ATOM 686 NZ LYS A 45 -6.282 2.895 -20.169 1.00 0.00 N ATOM 0 H LYS A 45 -7.093 -1.608 -15.344 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.531 -0.937 -15.971 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.739 -0.107 -16.974 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.855 1.051 -15.664 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.551 1.973 -16.491 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.812 1.014 -17.934 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.038 2.893 -16.932 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.709 3.562 -17.857 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.144 1.236 -19.141 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.061 2.723 -19.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.885 2.920 -21.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.980 3.861 -19.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.445 2.308 -20.358 1.00 0.00 H new ATOM 700 N TYR A 46 -5.345 1.189 -13.607 1.00 0.00 N ATOM 701 CA TYR A 46 -4.811 2.057 -12.520 1.00 0.00 C ATOM 702 C TYR A 46 -5.853 2.322 -11.397 1.00 0.00 C ATOM 703 O TYR A 46 -6.927 1.764 -11.415 1.00 0.00 O ATOM 704 CB TYR A 46 -4.318 3.453 -13.037 1.00 0.00 C ATOM 705 CG TYR A 46 -3.112 3.472 -14.002 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.881 2.919 -13.694 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.250 4.089 -15.219 1.00 0.00 C ATOM 708 CE1 TYR A 46 -0.821 2.984 -14.579 1.00 0.00 C ATOM 709 CE2 TYR A 46 -2.199 4.165 -16.109 1.00 0.00 C ATOM 710 CZ TYR A 46 -0.968 3.605 -15.801 1.00 0.00 C ATOM 711 OH TYR A 46 0.104 3.621 -16.676 1.00 0.00 O ATOM 0 H TYR A 46 -6.354 1.254 -13.744 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.968 1.492 -12.122 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.155 3.942 -13.536 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.064 4.062 -12.170 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.746 2.426 -12.742 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.202 4.524 -15.486 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.129 2.545 -14.311 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.336 4.666 -17.056 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.150 4.093 -17.496 1.00 0.00 H new ATOM 721 N GLY A 47 -5.524 3.174 -10.447 1.00 0.00 N ATOM 722 CA GLY A 47 -6.482 3.457 -9.318 1.00 0.00 C ATOM 723 C GLY A 47 -6.703 2.100 -8.618 1.00 0.00 C ATOM 724 O GLY A 47 -7.818 1.669 -8.460 1.00 0.00 O ATOM 0 H GLY A 47 -4.641 3.683 -10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.069 4.193 -8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.421 3.863 -9.693 1.00 0.00 H new ATOM 728 N TRP A 48 -5.645 1.447 -8.209 1.00 0.00 N ATOM 729 CA TRP A 48 -5.731 0.130 -7.540 1.00 0.00 C ATOM 730 C TRP A 48 -4.496 -0.222 -6.749 1.00 0.00 C ATOM 731 O TRP A 48 -3.587 -0.852 -7.237 1.00 0.00 O ATOM 732 CB TRP A 48 -6.001 -1.016 -8.598 1.00 0.00 C ATOM 733 CG TRP A 48 -6.217 -2.318 -7.843 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.232 -2.975 -7.202 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.386 -2.932 -7.613 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.861 -3.946 -6.589 1.00 0.00 N ATOM 737 CE2 TRP A 48 -7.158 -3.993 -6.787 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.660 -2.693 -8.077 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -8.176 -4.804 -6.418 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.707 -3.519 -7.709 1.00 0.00 C ATOM 741 CH2 TRP A 48 -9.452 -4.588 -6.869 1.00 0.00 C ATOM 0 H TRP A 48 -4.692 1.794 -8.320 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.562 0.209 -6.839 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.876 -0.777 -9.202 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.157 -1.109 -9.282 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.175 -2.754 -7.195 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.376 -4.621 -5.997 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.843 -1.855 -8.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.980 -5.635 -5.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.707 -3.332 -8.072 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.253 -5.248 -6.571 1.00 0.00 H new ATOM 752 N THR A 49 -4.433 0.240 -5.561 1.00 0.00 N ATOM 753 CA THR A 49 -3.270 -0.108 -4.741 1.00 0.00 C ATOM 754 C THR A 49 -3.727 0.140 -3.331 1.00 0.00 C ATOM 755 O THR A 49 -4.078 1.291 -3.048 1.00 0.00 O ATOM 756 CB THR A 49 -2.014 0.775 -5.163 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.912 0.091 -4.592 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.877 2.098 -4.421 1.00 0.00 C ATOM 0 H THR A 49 -5.129 0.840 -5.119 1.00 0.00 H new ATOM 0 HA THR A 49 -2.937 -1.139 -4.863 1.00 0.00 H new ATOM 0 HB THR A 49 -2.087 0.932 -6.239 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.718 -0.713 -5.117 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.993 2.626 -4.778 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.762 2.709 -4.600 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.778 1.907 -3.352 1.00 0.00 H new ATOM 766 N ALA A 50 -3.804 -0.887 -2.498 1.00 0.00 N ATOM 767 CA ALA A 50 -4.231 -0.331 -1.104 1.00 0.00 C ATOM 768 C ALA A 50 -2.854 0.164 -0.650 1.00 0.00 C ATOM 769 O ALA A 50 -1.952 -0.636 -0.545 1.00 0.00 O ATOM 770 CB ALA A 50 -4.675 -1.359 -0.036 1.00 0.00 C ATOM 0 H ALA A 50 -3.637 -1.883 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.084 0.341 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.944 -0.837 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.538 -1.915 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.857 -2.050 0.166 1.00 0.00 H new ATOM 776 N PHE A 51 -2.750 1.457 -0.385 1.00 0.00 N ATOM 777 CA PHE A 51 -1.444 2.063 0.044 1.00 0.00 C ATOM 778 C PHE A 51 -1.185 2.117 1.595 1.00 0.00 C ATOM 779 O PHE A 51 -2.087 2.236 2.400 1.00 0.00 O ATOM 780 CB PHE A 51 -1.419 3.514 -0.649 1.00 0.00 C ATOM 781 CG PHE A 51 -0.368 4.446 -0.017 1.00 0.00 C ATOM 782 CD1 PHE A 51 -0.618 5.110 1.172 1.00 0.00 C ATOM 783 CD2 PHE A 51 0.851 4.634 -0.634 1.00 0.00 C ATOM 784 CE1 PHE A 51 0.336 5.943 1.727 1.00 0.00 C ATOM 785 CE2 PHE A 51 1.806 5.466 -0.081 1.00 0.00 C ATOM 786 CZ PHE A 51 1.548 6.120 1.099 1.00 0.00 C ATOM 0 H PHE A 51 -3.524 2.119 -0.450 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.620 1.426 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.209 3.402 -1.713 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.405 3.972 -0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.567 4.976 1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.062 4.124 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.130 6.456 2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.756 5.602 -0.577 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.293 6.771 1.532 1.00 0.00 H new ATOM 796 N CYS A 52 0.065 2.009 1.980 1.00 0.00 N ATOM 797 CA CYS A 52 0.436 2.048 3.457 1.00 0.00 C ATOM 798 C CYS A 52 1.739 2.839 3.872 1.00 0.00 C ATOM 799 O CYS A 52 2.603 2.284 4.522 1.00 0.00 O ATOM 800 CB CYS A 52 0.538 0.562 3.920 1.00 0.00 C ATOM 801 SG CYS A 52 -0.400 0.018 5.361 1.00 0.00 S ATOM 0 H CYS A 52 0.855 1.895 1.344 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.345 2.625 3.952 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.239 -0.064 3.079 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.589 0.352 4.116 1.00 0.00 H new ATOM 806 N GLY A 53 1.890 4.089 3.524 1.00 0.00 N ATOM 807 CA GLY A 53 3.158 4.820 3.937 1.00 0.00 C ATOM 808 C GLY A 53 2.956 6.014 4.890 1.00 0.00 C ATOM 809 O GLY A 53 1.889 6.592 4.924 1.00 0.00 O ATOM 0 H GLY A 53 1.219 4.637 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.829 4.106 4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.660 5.177 3.038 1.00 0.00 H new ATOM 813 N PRO A 54 3.987 6.365 5.640 1.00 0.00 N ATOM 814 CA PRO A 54 3.944 7.512 6.601 1.00 0.00 C ATOM 815 C PRO A 54 3.488 8.858 6.001 1.00 0.00 C ATOM 816 O PRO A 54 2.649 9.522 6.572 1.00 0.00 O ATOM 817 CB PRO A 54 5.378 7.546 7.187 1.00 0.00 C ATOM 818 CG PRO A 54 6.230 6.894 6.066 1.00 0.00 C ATOM 819 CD PRO A 54 5.335 5.714 5.646 1.00 0.00 C ATOM 0 HA PRO A 54 3.177 7.363 7.361 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.703 8.565 7.400 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.445 6.988 8.121 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.417 7.581 5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.202 6.562 6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.606 5.319 4.667 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.389 4.884 6.351 1.00 0.00 H new ATOM 827 N ALA A 55 4.034 9.246 4.877 1.00 0.00 N ATOM 828 CA ALA A 55 3.632 10.547 4.247 1.00 0.00 C ATOM 829 C ALA A 55 2.871 10.250 2.942 1.00 0.00 C ATOM 830 O ALA A 55 3.313 9.471 2.113 1.00 0.00 O ATOM 831 CB ALA A 55 4.914 11.375 3.982 1.00 0.00 C ATOM 0 H ALA A 55 4.742 8.720 4.365 1.00 0.00 H new ATOM 0 HA ALA A 55 2.975 11.121 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.644 12.326 3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.429 11.560 4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.572 10.822 3.311 1.00 0.00 H new ATOM 837 N GLY A 56 1.748 10.903 2.825 1.00 0.00 N ATOM 838 CA GLY A 56 0.862 10.741 1.630 1.00 0.00 C ATOM 839 C GLY A 56 -0.629 10.688 2.013 1.00 0.00 C ATOM 840 O GLY A 56 -1.244 9.645 1.964 1.00 0.00 O ATOM 0 H GLY A 56 1.396 11.559 3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.029 11.569 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.132 9.827 1.101 1.00 0.00 H new ATOM 844 N PRO A 57 -1.194 11.818 2.389 1.00 0.00 N ATOM 845 CA PRO A 57 -2.660 11.854 2.685 1.00 0.00 C ATOM 846 C PRO A 57 -3.606 11.437 1.518 1.00 0.00 C ATOM 847 O PRO A 57 -3.889 12.188 0.599 1.00 0.00 O ATOM 848 CB PRO A 57 -2.913 13.306 3.185 1.00 0.00 C ATOM 849 CG PRO A 57 -1.563 14.063 3.157 1.00 0.00 C ATOM 850 CD PRO A 57 -0.501 13.126 2.562 1.00 0.00 C ATOM 0 HA PRO A 57 -2.910 11.094 3.426 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.644 13.806 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.323 13.295 4.195 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.648 14.970 2.559 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.278 14.370 4.163 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.129 13.505 1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.359 13.032 3.225 1.00 0.00 H new ATOM 858 N ARG A 58 -4.056 10.219 1.594 1.00 0.00 N ATOM 859 CA ARG A 58 -4.995 9.614 0.591 1.00 0.00 C ATOM 860 C ARG A 58 -6.195 8.924 1.289 1.00 0.00 C ATOM 861 O ARG A 58 -6.034 7.969 2.028 1.00 0.00 O ATOM 862 CB ARG A 58 -4.131 8.615 -0.303 1.00 0.00 C ATOM 863 CG ARG A 58 -4.570 7.075 -0.302 1.00 0.00 C ATOM 864 CD ARG A 58 -5.932 6.773 -0.989 1.00 0.00 C ATOM 865 NE ARG A 58 -6.950 6.456 0.069 1.00 0.00 N ATOM 866 CZ ARG A 58 -7.877 5.591 -0.095 1.00 0.00 C ATOM 867 NH1 ARG A 58 -8.524 5.611 -1.202 1.00 0.00 N ATOM 868 NH2 ARG A 58 -8.064 4.795 0.884 1.00 0.00 N ATOM 0 H ARG A 58 -3.801 9.581 2.348 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.444 10.377 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.155 8.974 -1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.095 8.672 0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.794 6.493 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.617 6.728 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.255 7.631 -1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.829 5.934 -1.677 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.899 6.953 0.958 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.292 6.302 -1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.270 4.936 -1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.491 4.876 1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.787 4.077 0.827 1.00 0.00 H new ATOM 882 N GLY A 59 -7.388 9.411 1.078 1.00 0.00 N ATOM 883 CA GLY A 59 -8.632 8.806 1.706 1.00 0.00 C ATOM 884 C GLY A 59 -9.626 8.644 0.561 1.00 0.00 C ATOM 885 O GLY A 59 -9.485 7.776 -0.270 1.00 0.00 O ATOM 0 H GLY A 59 -7.571 10.221 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.410 7.846 2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.033 9.454 2.486 1.00 0.00 H new ATOM 889 N GLN A 60 -10.610 9.497 0.529 1.00 0.00 N ATOM 890 CA GLN A 60 -11.636 9.424 -0.564 1.00 0.00 C ATOM 891 C GLN A 60 -11.054 10.314 -1.697 1.00 0.00 C ATOM 892 O GLN A 60 -10.788 9.840 -2.780 1.00 0.00 O ATOM 893 CB GLN A 60 -12.976 9.925 0.080 1.00 0.00 C ATOM 894 CG GLN A 60 -13.355 8.852 1.185 1.00 0.00 C ATOM 895 CD GLN A 60 -14.561 9.169 2.076 1.00 0.00 C ATOM 896 OE1 GLN A 60 -14.721 8.565 3.115 1.00 0.00 O ATOM 897 NE2 GLN A 60 -15.431 10.073 1.751 1.00 0.00 N ATOM 0 H GLN A 60 -10.754 10.244 1.209 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.849 8.444 -0.991 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.851 10.914 0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.763 10.008 -0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.544 7.902 0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.487 8.707 1.828 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.322 10.597 0.883 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.225 10.261 2.364 1.00 0.00 H new ATOM 906 N ALA A 61 -10.844 11.577 -1.449 1.00 0.00 N ATOM 907 CA ALA A 61 -10.269 12.550 -2.451 1.00 0.00 C ATOM 908 C ALA A 61 -9.071 12.053 -3.343 1.00 0.00 C ATOM 909 O ALA A 61 -8.688 12.694 -4.306 1.00 0.00 O ATOM 910 CB ALA A 61 -9.864 13.793 -1.636 1.00 0.00 C ATOM 0 H ALA A 61 -11.056 12.005 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.039 12.733 -3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.438 14.542 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.743 14.206 -1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.124 13.512 -0.886 1.00 0.00 H new ATOM 916 N ALA A 62 -8.500 10.927 -3.007 1.00 0.00 N ATOM 917 CA ALA A 62 -7.347 10.338 -3.769 1.00 0.00 C ATOM 918 C ALA A 62 -7.703 8.982 -4.449 1.00 0.00 C ATOM 919 O ALA A 62 -6.971 8.492 -5.292 1.00 0.00 O ATOM 920 CB ALA A 62 -6.205 10.191 -2.763 1.00 0.00 C ATOM 0 H ALA A 62 -8.793 10.367 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.064 10.990 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.334 9.765 -3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.949 11.170 -2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.517 9.533 -1.952 1.00 0.00 H new ATOM 926 N CYS A 63 -8.836 8.443 -4.080 1.00 0.00 N ATOM 927 CA CYS A 63 -9.377 7.148 -4.601 1.00 0.00 C ATOM 928 C CYS A 63 -9.779 7.558 -6.031 1.00 0.00 C ATOM 929 O CYS A 63 -10.896 7.942 -6.301 1.00 0.00 O ATOM 930 CB CYS A 63 -10.576 6.772 -3.672 1.00 0.00 C ATOM 931 SG CYS A 63 -11.032 5.042 -3.394 1.00 0.00 S ATOM 0 H CYS A 63 -9.448 8.880 -3.391 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.724 6.276 -4.615 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.372 7.210 -2.695 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.458 7.275 -4.069 1.00 0.00 H new ATOM 936 N GLY A 64 -8.806 7.470 -6.898 1.00 0.00 N ATOM 937 CA GLY A 64 -8.994 7.839 -8.340 1.00 0.00 C ATOM 938 C GLY A 64 -7.676 8.261 -8.993 1.00 0.00 C ATOM 939 O GLY A 64 -7.601 8.358 -10.199 1.00 0.00 O ATOM 0 H GLY A 64 -7.866 7.151 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.413 6.991 -8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.715 8.653 -8.416 1.00 0.00 H new ATOM 943 N LYS A 65 -6.663 8.502 -8.199 1.00 0.00 N ATOM 944 CA LYS A 65 -5.345 8.916 -8.769 1.00 0.00 C ATOM 945 C LYS A 65 -4.371 7.734 -8.703 1.00 0.00 C ATOM 946 O LYS A 65 -4.673 6.661 -8.211 1.00 0.00 O ATOM 947 CB LYS A 65 -4.800 10.121 -7.952 1.00 0.00 C ATOM 948 CG LYS A 65 -5.864 11.224 -7.992 1.00 0.00 C ATOM 949 CD LYS A 65 -5.343 12.488 -7.293 1.00 0.00 C ATOM 950 CE LYS A 65 -6.562 13.343 -6.984 1.00 0.00 C ATOM 951 NZ LYS A 65 -6.089 14.614 -6.364 1.00 0.00 N ATOM 0 H LYS A 65 -6.692 8.430 -7.182 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.459 9.215 -9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.593 9.825 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.861 10.478 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.123 11.452 -9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.775 10.879 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.806 12.233 -6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.644 13.026 -7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.123 13.549 -7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.235 12.816 -6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.907 15.218 -6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.569 14.401 -5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.461 15.111 -7.027 1.00 0.00 H new ATOM 965 N CYS A 66 -3.197 8.004 -9.209 1.00 0.00 N ATOM 966 CA CYS A 66 -2.072 7.032 -9.273 1.00 0.00 C ATOM 967 C CYS A 66 -0.885 7.469 -8.356 1.00 0.00 C ATOM 968 O CYS A 66 -0.845 8.519 -7.748 1.00 0.00 O ATOM 969 CB CYS A 66 -1.677 6.950 -10.774 1.00 0.00 C ATOM 970 SG CYS A 66 -2.675 5.858 -11.827 1.00 0.00 S ATOM 0 H CYS A 66 -2.964 8.916 -9.603 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.360 6.050 -8.898 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.720 7.956 -11.192 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.639 6.624 -10.834 1.00 0.00 H new ATOM 975 N LEU A 67 0.101 6.631 -8.249 1.00 0.00 N ATOM 976 CA LEU A 67 1.300 6.944 -7.396 1.00 0.00 C ATOM 977 C LEU A 67 2.570 6.566 -8.184 1.00 0.00 C ATOM 978 O LEU A 67 2.639 5.462 -8.670 1.00 0.00 O ATOM 979 CB LEU A 67 1.137 6.119 -6.104 1.00 0.00 C ATOM 980 CG LEU A 67 1.781 6.805 -4.902 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.543 5.896 -3.696 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.292 6.956 -5.077 1.00 0.00 C ATOM 0 H LEU A 67 0.138 5.726 -8.719 1.00 0.00 H new ATOM 0 HA LEU A 67 1.384 8.000 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.077 5.961 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.585 5.135 -6.243 1.00 0.00 H new ATOM 0 HG LEU A 67 1.349 7.799 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.987 6.346 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.471 5.770 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.000 4.923 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.712 7.449 -4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.745 5.971 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.497 7.556 -5.964 1.00 0.00 H new ATOM 994 N ARG A 68 3.556 7.408 -8.309 1.00 0.00 N ATOM 995 CA ARG A 68 4.766 6.984 -9.090 1.00 0.00 C ATOM 996 C ARG A 68 5.831 6.491 -8.096 1.00 0.00 C ATOM 997 O ARG A 68 6.125 7.178 -7.133 1.00 0.00 O ATOM 998 CB ARG A 68 5.276 8.191 -9.886 1.00 0.00 C ATOM 999 CG ARG A 68 6.658 7.875 -10.543 1.00 0.00 C ATOM 1000 CD ARG A 68 7.368 9.205 -10.816 1.00 0.00 C ATOM 1001 NE ARG A 68 6.502 9.960 -11.789 1.00 0.00 N ATOM 1002 CZ ARG A 68 6.873 10.344 -12.959 1.00 0.00 C ATOM 1003 NH1 ARG A 68 8.003 10.025 -13.445 1.00 0.00 N ATOM 1004 NH2 ARG A 68 6.065 11.062 -13.627 1.00 0.00 N ATOM 0 H ARG A 68 3.585 8.350 -7.918 1.00 0.00 H new ATOM 0 HA ARG A 68 4.530 6.179 -9.786 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.553 8.456 -10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.370 9.054 -9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.260 7.250 -9.883 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.521 7.319 -11.470 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.500 9.771 -9.894 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.362 9.036 -11.231 1.00 0.00 H new ATOM 0 HE ARG A 68 5.550 10.184 -11.499 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.646 9.448 -12.904 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.267 10.346 -14.377 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.159 11.314 -13.231 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.322 11.387 -14.559 1.00 0.00 H new ATOM 1018 N VAL A 69 6.368 5.328 -8.368 1.00 0.00 N ATOM 1019 CA VAL A 69 7.416 4.731 -7.485 1.00 0.00 C ATOM 1020 C VAL A 69 8.642 4.377 -8.325 1.00 0.00 C ATOM 1021 O VAL A 69 8.553 3.780 -9.384 1.00 0.00 O ATOM 1022 CB VAL A 69 6.876 3.450 -6.808 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.930 2.908 -5.798 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.580 3.780 -6.061 1.00 0.00 C ATOM 0 H VAL A 69 6.120 4.759 -9.177 1.00 0.00 H new ATOM 0 HA VAL A 69 7.687 5.454 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 69 6.680 2.693 -7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.547 2.005 -5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.854 2.676 -6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.127 3.663 -5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.196 2.879 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.780 4.537 -5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.840 4.159 -6.766 1.00 0.00 H new ATOM 1034 N THR A 70 9.750 4.777 -7.767 1.00 0.00 N ATOM 1035 CA THR A 70 11.079 4.537 -8.411 1.00 0.00 C ATOM 1036 C THR A 70 11.994 3.859 -7.381 1.00 0.00 C ATOM 1037 O THR A 70 11.856 4.063 -6.184 1.00 0.00 O ATOM 1038 CB THR A 70 11.644 5.903 -8.883 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.798 6.312 -9.956 1.00 0.00 O ATOM 1040 CG2 THR A 70 13.003 5.714 -9.545 1.00 0.00 C ATOM 0 H THR A 70 9.795 5.270 -6.875 1.00 0.00 H new ATOM 0 HA THR A 70 11.001 3.884 -9.280 1.00 0.00 H new ATOM 0 HB THR A 70 11.706 6.589 -8.039 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.103 7.177 -10.301 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.387 6.681 -9.871 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.697 5.270 -8.831 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.899 5.056 -10.407 1.00 0.00 H new ATOM 1048 N ASN A 71 12.912 3.070 -7.868 1.00 0.00 N ATOM 1049 CA ASN A 71 13.885 2.321 -7.011 1.00 0.00 C ATOM 1050 C ASN A 71 15.311 2.893 -7.165 1.00 0.00 C ATOM 1051 O ASN A 71 15.867 2.761 -8.238 1.00 0.00 O ATOM 1052 CB ASN A 71 13.822 0.867 -7.469 1.00 0.00 C ATOM 1053 CG ASN A 71 14.858 -0.025 -6.785 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.152 -1.099 -7.251 1.00 0.00 O ATOM 1055 ND2 ASN A 71 15.485 0.288 -5.700 1.00 0.00 N ATOM 0 H ASN A 71 13.034 2.906 -8.867 1.00 0.00 H new ATOM 0 HA ASN A 71 13.632 2.410 -5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.825 0.473 -7.271 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.972 0.826 -8.548 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.169 -0.356 -5.303 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.296 1.179 -5.241 1.00 0.00 H new ATOM 1062 N PRO A 72 15.892 3.497 -6.148 1.00 0.00 N ATOM 1063 CA PRO A 72 17.246 4.107 -6.319 1.00 0.00 C ATOM 1064 C PRO A 72 18.301 3.038 -6.715 1.00 0.00 C ATOM 1065 O PRO A 72 18.842 3.056 -7.803 1.00 0.00 O ATOM 1066 CB PRO A 72 17.538 4.800 -4.961 1.00 0.00 C ATOM 1067 CG PRO A 72 16.258 4.645 -4.069 1.00 0.00 C ATOM 1068 CD PRO A 72 15.311 3.658 -4.778 1.00 0.00 C ATOM 0 HA PRO A 72 17.289 4.829 -7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.401 4.344 -4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.776 5.853 -5.111 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.524 4.275 -3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.770 5.610 -3.929 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.266 2.704 -4.252 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.294 4.047 -4.822 1.00 0.00 H new ATOM 1076 N ALA A 73 18.549 2.142 -5.790 1.00 0.00 N ATOM 1077 CA ALA A 73 19.530 1.014 -5.958 1.00 0.00 C ATOM 1078 C ALA A 73 19.754 0.482 -7.397 1.00 0.00 C ATOM 1079 O ALA A 73 20.871 0.233 -7.802 1.00 0.00 O ATOM 1080 CB ALA A 73 19.055 -0.124 -5.034 1.00 0.00 C ATOM 0 H ALA A 73 18.089 2.146 -4.880 1.00 0.00 H new ATOM 0 HA ALA A 73 20.510 1.413 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.736 -0.970 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.040 0.227 -4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.052 -0.435 -5.326 1.00 0.00 H new ATOM 1086 N THR A 74 18.668 0.330 -8.106 1.00 0.00 N ATOM 1087 CA THR A 74 18.712 -0.188 -9.523 1.00 0.00 C ATOM 1088 C THR A 74 18.453 0.883 -10.569 1.00 0.00 C ATOM 1089 O THR A 74 19.113 0.921 -11.588 1.00 0.00 O ATOM 1090 CB THR A 74 17.648 -1.283 -9.754 1.00 0.00 C ATOM 1091 OG1 THR A 74 16.399 -0.607 -9.651 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.598 -2.274 -8.589 1.00 0.00 C ATOM 0 H THR A 74 17.731 0.544 -7.765 1.00 0.00 H new ATOM 0 HA THR A 74 19.725 -0.574 -9.638 1.00 0.00 H new ATOM 0 HB THR A 74 17.859 -1.795 -10.693 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.937 -0.896 -8.836 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.838 -3.030 -8.787 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.569 -2.756 -8.479 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.351 -1.743 -7.670 1.00 0.00 H new ATOM 1100 N GLY A 75 17.495 1.721 -10.293 1.00 0.00 N ATOM 1101 CA GLY A 75 17.131 2.817 -11.237 1.00 0.00 C ATOM 1102 C GLY A 75 15.804 2.469 -11.892 1.00 0.00 C ATOM 1103 O GLY A 75 15.304 3.258 -12.666 1.00 0.00 O ATOM 0 H GLY A 75 16.938 1.694 -9.439 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.054 3.765 -10.705 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.906 2.938 -11.993 1.00 0.00 H new ATOM 1107 N ALA A 76 15.247 1.322 -11.588 1.00 0.00 N ATOM 1108 CA ALA A 76 13.943 0.967 -12.227 1.00 0.00 C ATOM 1109 C ALA A 76 12.776 1.771 -11.593 1.00 0.00 C ATOM 1110 O ALA A 76 12.899 2.381 -10.544 1.00 0.00 O ATOM 1111 CB ALA A 76 13.759 -0.561 -12.048 1.00 0.00 C ATOM 0 H ALA A 76 15.628 0.631 -10.941 1.00 0.00 H new ATOM 0 HA ALA A 76 13.941 1.224 -13.286 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.816 -0.869 -12.500 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.583 -1.086 -12.532 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.748 -0.804 -10.986 1.00 0.00 H new ATOM 1117 N GLN A 77 11.657 1.749 -12.273 1.00 0.00 N ATOM 1118 CA GLN A 77 10.441 2.480 -11.789 1.00 0.00 C ATOM 1119 C GLN A 77 9.131 1.884 -12.330 1.00 0.00 C ATOM 1120 O GLN A 77 9.172 1.099 -13.257 1.00 0.00 O ATOM 1121 CB GLN A 77 10.590 3.974 -12.220 1.00 0.00 C ATOM 1122 CG GLN A 77 10.565 4.203 -13.799 1.00 0.00 C ATOM 1123 CD GLN A 77 9.154 4.335 -14.430 1.00 0.00 C ATOM 1124 OE1 GLN A 77 8.399 3.411 -14.625 1.00 0.00 O ATOM 1125 NE2 GLN A 77 8.716 5.497 -14.791 1.00 0.00 N ATOM 0 H GLN A 77 11.531 1.250 -13.154 1.00 0.00 H new ATOM 0 HA GLN A 77 10.379 2.387 -10.705 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.786 4.553 -11.767 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.527 4.364 -11.822 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.132 5.105 -14.027 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.082 3.372 -14.278 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.297 6.325 -14.658 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.790 5.586 -15.209 1.00 0.00 H new ATOM 1134 N ILE A 78 8.052 2.277 -11.694 1.00 0.00 N ATOM 1135 CA ILE A 78 6.642 1.861 -12.027 1.00 0.00 C ATOM 1136 C ILE A 78 5.576 2.898 -11.495 1.00 0.00 C ATOM 1137 O ILE A 78 5.916 3.873 -10.848 1.00 0.00 O ATOM 1138 CB ILE A 78 6.474 0.495 -11.384 1.00 0.00 C ATOM 1139 CG1 ILE A 78 5.582 -0.434 -12.243 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.899 0.608 -9.945 1.00 0.00 C ATOM 1141 CD1 ILE A 78 6.423 -0.996 -13.431 1.00 0.00 C ATOM 0 H ILE A 78 8.095 2.916 -10.900 1.00 0.00 H new ATOM 0 HA ILE A 78 6.477 1.824 -13.104 1.00 0.00 H new ATOM 0 HB ILE A 78 7.468 0.053 -11.322 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.197 -1.253 -11.635 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.720 0.116 -12.620 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.792 -0.389 -9.516 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.577 1.198 -9.328 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.924 1.094 -9.980 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.800 -1.651 -14.040 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.787 -0.170 -14.042 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.271 -1.560 -13.042 1.00 0.00 H new ATOM 1153 N THR A 79 4.306 2.689 -11.758 1.00 0.00 N ATOM 1154 CA THR A 79 3.213 3.630 -11.269 1.00 0.00 C ATOM 1155 C THR A 79 2.056 2.871 -10.579 1.00 0.00 C ATOM 1156 O THR A 79 1.368 2.121 -11.243 1.00 0.00 O ATOM 1157 CB THR A 79 2.651 4.457 -12.475 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.606 5.501 -12.672 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.369 5.216 -12.168 1.00 0.00 C ATOM 0 H THR A 79 3.963 1.895 -12.299 1.00 0.00 H new ATOM 0 HA THR A 79 3.659 4.296 -10.530 1.00 0.00 H new ATOM 0 HB THR A 79 2.469 3.765 -13.297 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.322 6.067 -13.420 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.048 5.762 -13.055 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.591 4.512 -11.874 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.548 5.919 -11.355 1.00 0.00 H new ATOM 1167 N ALA A 80 1.854 3.076 -9.301 1.00 0.00 N ATOM 1168 CA ALA A 80 0.742 2.355 -8.607 1.00 0.00 C ATOM 1169 C ALA A 80 -0.562 3.096 -8.916 1.00 0.00 C ATOM 1170 O ALA A 80 -0.565 4.220 -9.377 1.00 0.00 O ATOM 1171 CB ALA A 80 0.926 2.351 -7.103 1.00 0.00 C ATOM 0 H ALA A 80 2.403 3.704 -8.714 1.00 0.00 H new ATOM 0 HA ALA A 80 0.728 1.323 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.098 1.818 -6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.864 1.855 -6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.949 3.377 -6.737 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.630 2.430 -8.618 1.00 0.00 N ATOM 1178 CA ARG A 81 -2.966 2.901 -8.843 1.00 0.00 C ATOM 1179 C ARG A 81 -3.593 3.177 -7.453 1.00 0.00 C ATOM 1180 O ARG A 81 -3.725 2.260 -6.684 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.343 1.661 -9.797 1.00 0.00 C ATOM 1182 CG ARG A 81 -2.374 0.376 -9.843 1.00 0.00 C ATOM 1183 CD ARG A 81 -1.201 0.696 -10.806 1.00 0.00 C ATOM 1184 NE ARG A 81 -1.623 0.092 -12.111 1.00 0.00 N ATOM 1185 CZ ARG A 81 -0.976 -0.872 -12.620 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -0.524 -1.719 -11.797 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -0.839 -0.907 -13.883 1.00 0.00 N ATOM 0 H ARG A 81 -1.598 1.503 -8.193 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.264 3.839 -9.312 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.334 1.313 -9.505 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.427 2.044 -10.814 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.997 0.147 -8.846 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.921 -0.502 -10.187 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.042 1.770 -10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.265 0.264 -10.451 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.441 0.461 -12.596 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.691 -1.599 -10.798 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.007 -2.523 -12.132 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.245 -0.171 -14.461 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.323 -1.671 -14.319 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.984 4.367 -7.121 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.574 4.590 -5.751 1.00 0.00 C ATOM 1203 C ILE A 82 -6.099 4.418 -5.622 1.00 0.00 C ATOM 1204 O ILE A 82 -6.860 4.970 -6.389 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.170 6.026 -5.288 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.674 6.299 -5.663 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.340 6.099 -3.748 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.193 7.654 -5.105 1.00 0.00 C ATOM 0 H ILE A 82 -3.929 5.193 -7.717 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.167 3.801 -5.119 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.797 6.772 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.047 5.499 -5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.561 6.289 -6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.064 7.094 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.379 5.898 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.697 5.357 -3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.151 7.813 -5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.805 8.456 -5.518 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.283 7.653 -4.019 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.516 3.647 -4.648 1.00 0.00 N ATOM 1221 CA VAL A 83 -8.000 3.420 -4.424 1.00 0.00 C ATOM 1222 C VAL A 83 -8.308 3.176 -2.916 1.00 0.00 C ATOM 1223 O VAL A 83 -9.374 3.465 -2.399 1.00 0.00 O ATOM 1224 CB VAL A 83 -8.457 2.213 -5.311 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.964 0.879 -4.802 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -9.985 2.157 -5.347 1.00 0.00 C ATOM 0 H VAL A 83 -5.903 3.161 -3.993 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.559 4.310 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.029 2.380 -6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.316 0.085 -5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.874 0.878 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.346 0.710 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.304 1.317 -5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.368 2.029 -4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.373 3.085 -5.768 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.344 2.620 -2.219 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.542 2.345 -0.760 1.00 0.00 C ATOM 1238 C ASP A 84 -6.295 2.491 0.159 1.00 0.00 C ATOM 1239 O ASP A 84 -5.228 2.884 -0.271 1.00 0.00 O ATOM 1240 CB ASP A 84 -8.171 0.961 -0.756 1.00 0.00 C ATOM 1241 CG ASP A 84 -7.338 -0.060 -1.478 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -6.611 0.227 -2.405 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -7.524 -1.142 -0.996 1.00 0.00 O ATOM 0 H ASP A 84 -6.436 2.347 -2.594 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.169 3.109 -0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.321 0.638 0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.156 1.013 -1.220 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.455 2.182 1.425 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.316 2.276 2.409 1.00 0.00 C ATOM 1250 C GLN A 85 -5.230 1.011 3.291 1.00 0.00 C ATOM 1251 O GLN A 85 -6.244 0.426 3.632 1.00 0.00 O ATOM 1252 CB GLN A 85 -5.549 3.513 3.261 1.00 0.00 C ATOM 1253 CG GLN A 85 -4.482 3.583 4.412 1.00 0.00 C ATOM 1254 CD GLN A 85 -4.569 4.931 5.106 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -4.098 5.935 4.622 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -5.164 5.041 6.247 1.00 0.00 N ATOM 0 H GLN A 85 -7.336 1.864 1.828 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.368 2.351 1.876 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.487 4.408 2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.553 3.488 3.686 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.654 2.781 5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.482 3.437 4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.575 4.219 6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.223 5.950 6.706 1.00 0.00 H new ATOM 1265 N CYS A 86 -4.029 0.635 3.654 1.00 0.00 N ATOM 1266 CA CYS A 86 -3.818 -0.592 4.509 1.00 0.00 C ATOM 1267 C CYS A 86 -3.484 -0.262 5.995 1.00 0.00 C ATOM 1268 O CYS A 86 -3.632 0.868 6.417 1.00 0.00 O ATOM 1269 CB CYS A 86 -2.680 -1.419 3.864 1.00 0.00 C ATOM 1270 SG CYS A 86 -1.155 -1.767 4.782 1.00 0.00 S ATOM 0 H CYS A 86 -3.173 1.125 3.396 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.750 -1.156 4.543 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.106 -2.379 3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.392 -0.907 2.946 1.00 0.00 H new ATOM 1275 N ALA A 87 -3.056 -1.260 6.736 1.00 0.00 N ATOM 1276 CA ALA A 87 -2.709 -1.071 8.184 1.00 0.00 C ATOM 1277 C ALA A 87 -1.244 -1.415 8.576 1.00 0.00 C ATOM 1278 O ALA A 87 -0.529 -0.576 9.088 1.00 0.00 O ATOM 1279 CB ALA A 87 -3.724 -1.929 8.969 1.00 0.00 C ATOM 0 H ALA A 87 -2.931 -2.212 6.393 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.772 -0.010 8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.528 -1.838 10.037 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.735 -1.583 8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.626 -2.973 8.670 1.00 0.00 H new ATOM 1285 N ASN A 88 -0.841 -2.637 8.332 1.00 0.00 N ATOM 1286 CA ASN A 88 0.552 -3.107 8.668 1.00 0.00 C ATOM 1287 C ASN A 88 1.467 -3.555 7.475 1.00 0.00 C ATOM 1288 O ASN A 88 1.349 -4.646 6.948 1.00 0.00 O ATOM 1289 CB ASN A 88 0.367 -4.261 9.724 1.00 0.00 C ATOM 1290 CG ASN A 88 -0.900 -5.066 9.437 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -1.125 -5.560 8.355 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -1.774 -5.236 10.372 1.00 0.00 N ATOM 0 H ASN A 88 -1.430 -3.351 7.903 1.00 0.00 H new ATOM 0 HA ASN A 88 1.108 -2.250 9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.234 -4.921 9.703 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.314 -3.837 10.727 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.621 -5.773 10.187 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.617 -4.834 11.296 1.00 0.00 H new ATOM 1299 N GLY A 89 2.371 -2.691 7.060 1.00 0.00 N ATOM 1300 CA GLY A 89 3.331 -2.996 5.918 1.00 0.00 C ATOM 1301 C GLY A 89 3.690 -2.270 4.604 1.00 0.00 C ATOM 1302 O GLY A 89 3.333 -1.125 4.396 1.00 0.00 O ATOM 0 H GLY A 89 2.493 -1.764 7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.293 -3.110 6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.025 -3.988 5.586 1.00 0.00 H new ATOM 1306 N GLY A 90 4.415 -2.970 3.765 1.00 0.00 N ATOM 1307 CA GLY A 90 4.843 -2.423 2.425 1.00 0.00 C ATOM 1308 C GLY A 90 3.596 -1.994 1.686 1.00 0.00 C ATOM 1309 O GLY A 90 2.862 -2.797 1.168 1.00 0.00 O ATOM 0 H GLY A 90 4.738 -3.919 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.520 -1.579 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.383 -3.181 1.857 1.00 0.00 H new ATOM 1313 N LEU A 91 3.438 -0.720 1.712 1.00 0.00 N ATOM 1314 CA LEU A 91 2.326 0.055 1.100 1.00 0.00 C ATOM 1315 C LEU A 91 1.497 -0.236 -0.156 1.00 0.00 C ATOM 1316 O LEU A 91 1.282 0.720 -0.877 1.00 0.00 O ATOM 1317 CB LEU A 91 2.961 1.528 1.068 1.00 0.00 C ATOM 1318 CG LEU A 91 4.169 1.562 0.068 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.839 2.571 -1.048 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.445 2.046 0.779 1.00 0.00 C ATOM 0 H LEU A 91 4.108 -0.114 2.185 1.00 0.00 H new ATOM 0 HA LEU A 91 1.470 -0.239 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.206 2.253 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.295 1.812 2.066 1.00 0.00 H new ATOM 0 HG LEU A 91 4.333 0.560 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.666 2.612 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.932 2.257 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.685 3.558 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.272 2.063 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.284 3.050 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.684 1.369 1.599 1.00 0.00 H new ATOM 1332 N ASP A 92 1.045 -1.444 -0.398 1.00 0.00 N ATOM 1333 CA ASP A 92 0.228 -1.643 -1.655 1.00 0.00 C ATOM 1334 C ASP A 92 -0.736 -2.907 -1.790 1.00 0.00 C ATOM 1335 O ASP A 92 -0.448 -3.984 -1.309 1.00 0.00 O ATOM 1336 CB ASP A 92 1.228 -1.632 -2.837 1.00 0.00 C ATOM 1337 CG ASP A 92 2.288 -2.716 -2.675 1.00 0.00 C ATOM 1338 OD1 ASP A 92 3.206 -2.451 -1.915 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.087 -3.724 -3.334 1.00 0.00 O ATOM 0 H ASP A 92 1.192 -2.269 0.184 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.497 -0.829 -1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.690 -1.783 -3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.709 -0.656 -2.900 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.884 -2.809 -2.432 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.774 -4.052 -2.573 1.00 0.00 C ATOM 1346 C LEU A 93 -2.840 -4.435 -4.063 1.00 0.00 C ATOM 1347 O LEU A 93 -3.869 -4.427 -4.677 1.00 0.00 O ATOM 1348 CB LEU A 93 -4.258 -3.787 -1.984 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.522 -3.823 -2.965 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -6.781 -3.960 -2.136 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.631 -2.555 -3.928 1.00 0.00 C ATOM 0 H LEU A 93 -2.248 -1.957 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.345 -4.870 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.433 -4.525 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.247 -2.809 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.392 -4.682 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.649 -3.986 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.737 -4.883 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.865 -3.110 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.513 -2.654 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.715 -1.649 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.740 -2.495 -4.553 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.696 -4.631 -4.605 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.448 -5.048 -6.021 1.00 0.00 C ATOM 1365 C ASP A 94 -1.380 -6.575 -6.202 1.00 0.00 C ATOM 1366 O ASP A 94 -1.713 -7.435 -5.433 1.00 0.00 O ATOM 1367 CB ASP A 94 -0.162 -4.320 -6.499 1.00 0.00 C ATOM 1368 CG ASP A 94 -0.654 -2.974 -7.009 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -0.990 -2.897 -8.188 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -0.677 -2.093 -6.183 1.00 0.00 O ATOM 0 H ASP A 94 -0.829 -4.510 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.293 -4.755 -6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.552 -4.199 -5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.343 -4.882 -7.285 1.00 0.00 H new ATOM 1375 N TRP A 95 -0.863 -6.875 -7.342 1.00 0.00 N ATOM 1376 CA TRP A 95 -0.601 -8.282 -7.792 1.00 0.00 C ATOM 1377 C TRP A 95 0.928 -8.058 -7.775 1.00 0.00 C ATOM 1378 O TRP A 95 1.680 -8.298 -8.706 1.00 0.00 O ATOM 1379 CB TRP A 95 -1.133 -8.592 -9.243 1.00 0.00 C ATOM 1380 CG TRP A 95 -0.223 -9.739 -9.743 1.00 0.00 C ATOM 1381 CD1 TRP A 95 0.176 -10.793 -8.965 1.00 0.00 C ATOM 1382 CD2 TRP A 95 0.361 -9.841 -10.963 1.00 0.00 C ATOM 1383 NE1 TRP A 95 0.979 -11.458 -9.764 1.00 0.00 N ATOM 1384 CE2 TRP A 95 1.150 -10.966 -10.975 1.00 0.00 C ATOM 1385 CE3 TRP A 95 0.301 -9.056 -12.102 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 1.874 -11.316 -12.080 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 1.028 -9.401 -13.228 1.00 0.00 C ATOM 1388 CH2 TRP A 95 1.817 -10.534 -13.214 1.00 0.00 C ATOM 0 H TRP A 95 -0.591 -6.172 -8.029 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.043 -9.103 -7.227 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.181 -8.893 -9.227 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.062 -7.717 -9.889 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.101 -11.021 -7.946 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.447 -12.313 -9.462 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.316 -8.170 -12.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.490 -12.203 -12.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.978 -8.786 -14.115 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.388 -10.807 -14.089 1.00 0.00 H new ATOM 1399 N ASP A 96 1.308 -7.564 -6.607 1.00 0.00 N ATOM 1400 CA ASP A 96 2.704 -7.211 -6.251 1.00 0.00 C ATOM 1401 C ASP A 96 3.414 -6.570 -7.480 1.00 0.00 C ATOM 1402 O ASP A 96 4.627 -6.563 -7.594 1.00 0.00 O ATOM 1403 CB ASP A 96 3.324 -8.572 -5.716 1.00 0.00 C ATOM 1404 CG ASP A 96 2.486 -9.835 -5.992 1.00 0.00 C ATOM 1405 OD1 ASP A 96 1.356 -9.914 -5.528 1.00 0.00 O ATOM 1406 OD2 ASP A 96 3.029 -10.687 -6.666 1.00 0.00 O ATOM 0 H ASP A 96 0.648 -7.387 -5.849 1.00 0.00 H new ATOM 0 HA ASP A 96 2.810 -6.449 -5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.308 -8.704 -6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.474 -8.485 -4.640 1.00 0.00 H new ATOM 1411 N THR A 97 2.552 -6.025 -8.336 1.00 0.00 N ATOM 1412 CA THR A 97 2.869 -5.328 -9.640 1.00 0.00 C ATOM 1413 C THR A 97 4.044 -4.384 -9.528 1.00 0.00 C ATOM 1414 O THR A 97 4.697 -4.073 -10.496 1.00 0.00 O ATOM 1415 CB THR A 97 1.647 -4.470 -10.205 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.456 -3.435 -9.258 1.00 0.00 O ATOM 1417 CG2 THR A 97 0.242 -5.150 -10.270 1.00 0.00 C ATOM 0 H THR A 97 1.549 -6.044 -8.154 1.00 0.00 H new ATOM 0 HA THR A 97 3.100 -6.147 -10.321 1.00 0.00 H new ATOM 0 HB THR A 97 1.927 -4.218 -11.228 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.497 -3.304 -9.105 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.485 -4.445 -10.674 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.292 -6.028 -10.913 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.063 -5.451 -9.268 1.00 0.00 H new ATOM 1425 N VAL A 98 4.248 -3.945 -8.324 1.00 0.00 N ATOM 1426 CA VAL A 98 5.354 -3.016 -7.990 1.00 0.00 C ATOM 1427 C VAL A 98 6.612 -3.856 -7.732 1.00 0.00 C ATOM 1428 O VAL A 98 7.617 -3.667 -8.379 1.00 0.00 O ATOM 1429 CB VAL A 98 4.951 -2.220 -6.731 1.00 0.00 C ATOM 1430 CG1 VAL A 98 6.093 -1.260 -6.357 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.663 -1.415 -7.000 1.00 0.00 C ATOM 0 H VAL A 98 3.669 -4.204 -7.525 1.00 0.00 H new ATOM 0 HA VAL A 98 5.554 -2.314 -8.799 1.00 0.00 H new ATOM 0 HB VAL A 98 4.766 -2.913 -5.910 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.816 -0.694 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.998 -1.833 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.276 -0.572 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.389 -0.858 -6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.833 -0.720 -7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.856 -2.098 -7.264 1.00 0.00 H new ATOM 1441 N PHE A 99 6.523 -4.781 -6.816 1.00 0.00 N ATOM 1442 CA PHE A 99 7.715 -5.634 -6.500 1.00 0.00 C ATOM 1443 C PHE A 99 8.108 -6.545 -7.691 1.00 0.00 C ATOM 1444 O PHE A 99 9.233 -6.430 -8.135 1.00 0.00 O ATOM 1445 CB PHE A 99 7.357 -6.438 -5.219 1.00 0.00 C ATOM 1446 CG PHE A 99 8.591 -6.487 -4.285 1.00 0.00 C ATOM 1447 CD1 PHE A 99 9.094 -5.316 -3.727 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.215 -7.683 -3.993 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.198 -5.332 -2.894 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.319 -7.702 -3.159 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.812 -6.529 -2.609 1.00 0.00 C ATOM 0 H PHE A 99 5.684 -4.986 -6.273 1.00 0.00 H new ATOM 0 HA PHE A 99 8.598 -5.020 -6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.516 -5.971 -4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.047 -7.449 -5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.612 -4.375 -3.949 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.842 -8.604 -4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.575 -4.412 -2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.802 -8.641 -2.934 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.675 -6.555 -1.960 1.00 0.00 H new ATOM 1461 N THR A 100 7.198 -7.359 -8.190 1.00 0.00 N ATOM 1462 CA THR A 100 7.520 -8.296 -9.354 1.00 0.00 C ATOM 1463 C THR A 100 8.060 -7.503 -10.554 1.00 0.00 C ATOM 1464 O THR A 100 8.570 -8.050 -11.513 1.00 0.00 O ATOM 1465 CB THR A 100 6.225 -9.126 -9.875 1.00 0.00 C ATOM 1466 OG1 THR A 100 5.991 -8.810 -11.241 1.00 0.00 O ATOM 1467 CG2 THR A 100 4.853 -8.646 -9.340 1.00 0.00 C ATOM 0 H THR A 100 6.239 -7.423 -7.848 1.00 0.00 H new ATOM 0 HA THR A 100 8.263 -8.995 -8.969 1.00 0.00 H new ATOM 0 HB THR A 100 6.473 -10.147 -9.586 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.211 -9.309 -11.563 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.062 -9.272 -9.753 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.841 -8.718 -8.252 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.689 -7.610 -9.637 1.00 0.00 H new ATOM 1475 N LYS A 101 7.920 -6.205 -10.469 1.00 0.00 N ATOM 1476 CA LYS A 101 8.380 -5.277 -11.538 1.00 0.00 C ATOM 1477 C LYS A 101 9.670 -4.505 -11.203 1.00 0.00 C ATOM 1478 O LYS A 101 10.547 -4.449 -12.040 1.00 0.00 O ATOM 1479 CB LYS A 101 7.261 -4.256 -11.850 1.00 0.00 C ATOM 1480 CG LYS A 101 6.065 -4.921 -12.573 1.00 0.00 C ATOM 1481 CD LYS A 101 6.487 -5.516 -13.921 1.00 0.00 C ATOM 1482 CE LYS A 101 5.238 -5.967 -14.632 1.00 0.00 C ATOM 1483 NZ LYS A 101 5.659 -6.423 -15.985 1.00 0.00 N ATOM 0 H LYS A 101 7.489 -5.737 -9.672 1.00 0.00 H new ATOM 0 HA LYS A 101 8.608 -5.907 -12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.917 -3.798 -10.922 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.662 -3.455 -12.471 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.647 -5.706 -11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.277 -4.184 -12.729 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.020 -4.775 -14.517 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.167 -6.355 -13.773 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.751 -6.775 -14.085 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.518 -5.152 -14.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.826 -6.746 -16.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.110 -5.635 -16.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.336 -7.207 -15.892 1.00 0.00 H new ATOM 1497 N ILE A 102 9.789 -3.924 -10.034 1.00 0.00 N ATOM 1498 CA ILE A 102 11.047 -3.165 -9.694 1.00 0.00 C ATOM 1499 C ILE A 102 12.137 -4.019 -9.029 1.00 0.00 C ATOM 1500 O ILE A 102 13.230 -3.528 -8.809 1.00 0.00 O ATOM 1501 CB ILE A 102 10.713 -1.949 -8.735 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.328 -2.461 -7.302 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.592 -1.060 -9.368 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.879 -1.320 -6.374 1.00 0.00 C ATOM 0 H ILE A 102 9.079 -3.938 -9.302 1.00 0.00 H new ATOM 0 HA ILE A 102 11.442 -2.822 -10.650 1.00 0.00 H new ATOM 0 HB ILE A 102 11.601 -1.328 -8.620 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.527 -3.195 -7.384 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.184 -2.971 -6.859 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.369 -0.227 -8.702 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.932 -0.675 -10.329 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.693 -1.658 -9.515 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.624 -1.726 -5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.688 -0.598 -6.267 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.006 -0.826 -6.801 1.00 0.00 H new ATOM 1516 N ASP A 103 11.863 -5.264 -8.732 1.00 0.00 N ATOM 1517 CA ASP A 103 12.913 -6.095 -8.086 1.00 0.00 C ATOM 1518 C ASP A 103 13.930 -6.616 -9.133 1.00 0.00 C ATOM 1519 O ASP A 103 14.429 -7.715 -9.033 1.00 0.00 O ATOM 1520 CB ASP A 103 12.172 -7.258 -7.347 1.00 0.00 C ATOM 1521 CG ASP A 103 11.364 -8.151 -8.293 1.00 0.00 C ATOM 1522 OD1 ASP A 103 11.512 -8.016 -9.497 1.00 0.00 O ATOM 1523 OD2 ASP A 103 10.619 -8.939 -7.729 1.00 0.00 O ATOM 0 H ASP A 103 10.973 -5.731 -8.906 1.00 0.00 H new ATOM 0 HA ASP A 103 13.498 -5.513 -7.374 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.903 -7.868 -6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.504 -6.836 -6.596 1.00 0.00 H new ATOM 1528 N THR A 104 14.239 -5.813 -10.124 1.00 0.00 N ATOM 1529 CA THR A 104 15.229 -6.202 -11.208 1.00 0.00 C ATOM 1530 C THR A 104 16.438 -6.976 -10.675 1.00 0.00 C ATOM 1531 O THR A 104 17.013 -7.784 -11.374 1.00 0.00 O ATOM 1532 CB THR A 104 15.774 -4.957 -11.941 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.093 -4.034 -10.920 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.679 -4.242 -12.708 1.00 0.00 C ATOM 0 H THR A 104 13.843 -4.880 -10.238 1.00 0.00 H new ATOM 0 HA THR A 104 14.664 -6.843 -11.884 1.00 0.00 H new ATOM 0 HB THR A 104 16.586 -5.261 -12.602 1.00 0.00 H new ATOM 0 HG1 THR A 104 16.297 -3.162 -11.319 1.00 0.00 H new ATOM 0 HG21 THR A 104 15.097 -3.371 -13.212 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.252 -4.919 -13.448 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.900 -3.922 -12.016 1.00 0.00 H new ATOM 1542 N ASN A 105 16.797 -6.698 -9.453 1.00 0.00 N ATOM 1543 CA ASN A 105 17.959 -7.379 -8.783 1.00 0.00 C ATOM 1544 C ASN A 105 17.505 -8.670 -8.039 1.00 0.00 C ATOM 1545 O ASN A 105 18.269 -9.591 -7.832 1.00 0.00 O ATOM 1546 CB ASN A 105 18.586 -6.355 -7.819 1.00 0.00 C ATOM 1547 CG ASN A 105 17.516 -5.782 -6.914 1.00 0.00 C ATOM 1548 OD1 ASN A 105 16.678 -5.008 -7.311 1.00 0.00 O ATOM 1549 ND2 ASN A 105 17.479 -6.125 -5.674 1.00 0.00 N ATOM 0 H ASN A 105 16.324 -6.009 -8.868 1.00 0.00 H new ATOM 0 HA ASN A 105 18.694 -7.702 -9.520 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.363 -6.832 -7.222 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.064 -5.555 -8.384 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.758 -5.745 -5.061 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.171 -6.777 -5.304 1.00 0.00 H new ATOM 1556 N GLY A 106 16.274 -8.691 -7.622 1.00 0.00 N ATOM 1557 CA GLY A 106 15.685 -9.864 -6.908 1.00 0.00 C ATOM 1558 C GLY A 106 15.837 -9.827 -5.410 1.00 0.00 C ATOM 1559 O GLY A 106 14.870 -9.946 -4.688 1.00 0.00 O ATOM 0 H GLY A 106 15.624 -7.915 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.624 -9.925 -7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.152 -10.774 -7.285 1.00 0.00 H new ATOM 1563 N ILE A 107 17.067 -9.653 -5.000 1.00 0.00 N ATOM 1564 CA ILE A 107 17.453 -9.598 -3.551 1.00 0.00 C ATOM 1565 C ILE A 107 16.303 -9.167 -2.604 1.00 0.00 C ATOM 1566 O ILE A 107 16.062 -9.785 -1.588 1.00 0.00 O ATOM 1567 CB ILE A 107 18.653 -8.643 -3.428 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.817 -8.953 -4.437 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.226 -8.731 -1.990 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.255 -10.437 -4.429 1.00 0.00 C ATOM 0 H ILE A 107 17.856 -9.542 -5.637 1.00 0.00 H new ATOM 0 HA ILE A 107 17.709 -10.607 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 107 18.277 -7.647 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 107 19.498 -8.681 -5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 107 20.675 -8.327 -4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 107 20.077 -8.057 -1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 107 18.456 -8.446 -1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.549 -9.753 -1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 107 21.061 -10.582 -5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.604 -10.708 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 107 19.409 -11.068 -4.701 1.00 0.00 H new ATOM 1582 N GLY A 108 15.614 -8.104 -2.948 1.00 0.00 N ATOM 1583 CA GLY A 108 14.469 -7.596 -2.109 1.00 0.00 C ATOM 1584 C GLY A 108 13.653 -8.773 -1.561 1.00 0.00 C ATOM 1585 O GLY A 108 13.411 -8.865 -0.377 1.00 0.00 O ATOM 0 H GLY A 108 15.796 -7.555 -3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 108 14.851 -6.994 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.829 -6.948 -2.708 1.00 0.00 H new ATOM 1589 N TYR A 109 13.276 -9.655 -2.449 1.00 0.00 N ATOM 1590 CA TYR A 109 12.467 -10.853 -2.045 1.00 0.00 C ATOM 1591 C TYR A 109 13.205 -11.690 -0.956 1.00 0.00 C ATOM 1592 O TYR A 109 12.627 -12.097 0.029 1.00 0.00 O ATOM 1593 CB TYR A 109 12.220 -11.677 -3.327 1.00 0.00 C ATOM 1594 CG TYR A 109 11.142 -12.730 -3.054 1.00 0.00 C ATOM 1595 CD1 TYR A 109 11.472 -13.962 -2.529 1.00 0.00 C ATOM 1596 CD2 TYR A 109 9.818 -12.448 -3.323 1.00 0.00 C ATOM 1597 CE1 TYR A 109 10.487 -14.902 -2.275 1.00 0.00 C ATOM 1598 CE2 TYR A 109 8.841 -13.388 -3.066 1.00 0.00 C ATOM 1599 CZ TYR A 109 9.165 -14.615 -2.544 1.00 0.00 C ATOM 1600 OH TYR A 109 8.160 -15.527 -2.303 1.00 0.00 O ATOM 0 H TYR A 109 13.493 -9.600 -3.444 1.00 0.00 H new ATOM 0 HA TYR A 109 11.520 -10.550 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.906 -11.021 -4.139 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.144 -12.160 -3.646 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.505 -14.195 -2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.546 -11.488 -3.736 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.755 -15.864 -1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.808 -13.155 -3.278 1.00 0.00 H new ATOM 0 HH TYR A 109 7.297 -15.138 -2.557 1.00 0.00 H new ATOM 1610 N GLN A 110 14.473 -11.923 -1.182 1.00 0.00 N ATOM 1611 CA GLN A 110 15.341 -12.715 -0.234 1.00 0.00 C ATOM 1612 C GLN A 110 15.302 -12.180 1.211 1.00 0.00 C ATOM 1613 O GLN A 110 15.369 -12.937 2.161 1.00 0.00 O ATOM 1614 CB GLN A 110 16.813 -12.687 -0.752 1.00 0.00 C ATOM 1615 CG GLN A 110 17.068 -13.742 -1.874 1.00 0.00 C ATOM 1616 CD GLN A 110 17.079 -15.160 -1.281 1.00 0.00 C ATOM 1617 OE1 GLN A 110 17.416 -15.386 -0.142 1.00 0.00 O ATOM 1618 NE2 GLN A 110 16.731 -16.180 -1.989 1.00 0.00 N ATOM 0 H GLN A 110 14.965 -11.589 -2.010 1.00 0.00 H new ATOM 0 HA GLN A 110 14.949 -13.732 -0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.042 -11.692 -1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.492 -12.874 0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 110 16.293 -13.666 -2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 110 18.020 -13.538 -2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.437 -16.052 -2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.750 -17.115 -1.581 1.00 0.00 H new ATOM 1627 N GLN A 111 15.204 -10.883 1.313 1.00 0.00 N ATOM 1628 CA GLN A 111 15.159 -10.241 2.669 1.00 0.00 C ATOM 1629 C GLN A 111 13.708 -9.996 3.126 1.00 0.00 C ATOM 1630 O GLN A 111 13.362 -10.239 4.266 1.00 0.00 O ATOM 1631 CB GLN A 111 15.948 -8.907 2.590 1.00 0.00 C ATOM 1632 CG GLN A 111 17.468 -9.168 2.303 1.00 0.00 C ATOM 1633 CD GLN A 111 18.168 -9.922 3.437 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.286 -9.495 4.564 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.677 -11.084 3.205 1.00 0.00 N ATOM 0 H GLN A 111 15.153 -10.238 0.524 1.00 0.00 H new ATOM 0 HA GLN A 111 15.611 -10.904 3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.529 -8.279 1.804 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.840 -8.361 3.527 1.00 0.00 H new ATOM 0 HG2 GLN A 111 17.565 -9.739 1.380 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.971 -8.214 2.143 1.00 0.00 H new ATOM 0 HE21 GLN A 111 18.608 -11.494 2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 111 19.149 -11.593 3.953 1.00 0.00 H new ATOM 1644 N GLY A 112 12.902 -9.517 2.219 1.00 0.00 N ATOM 1645 CA GLY A 112 11.459 -9.221 2.492 1.00 0.00 C ATOM 1646 C GLY A 112 11.206 -7.721 2.617 1.00 0.00 C ATOM 1647 O GLY A 112 10.222 -7.330 3.211 1.00 0.00 O ATOM 0 H GLY A 112 13.192 -9.310 1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.845 -9.628 1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.152 -9.720 3.411 1.00 0.00 H new ATOM 1651 N HIS A 113 12.081 -6.907 2.078 1.00 0.00 N ATOM 1652 CA HIS A 113 11.895 -5.409 2.168 1.00 0.00 C ATOM 1653 C HIS A 113 12.878 -4.609 1.272 1.00 0.00 C ATOM 1654 O HIS A 113 13.852 -5.159 0.792 1.00 0.00 O ATOM 1655 CB HIS A 113 12.080 -4.999 3.642 1.00 0.00 C ATOM 1656 CG HIS A 113 13.451 -5.497 4.083 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.560 -5.161 3.519 1.00 0.00 N ATOM 1658 CD2 HIS A 113 13.829 -6.351 5.096 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.551 -5.742 4.116 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.141 -6.494 5.107 1.00 0.00 N ATOM 0 H HIS A 113 12.918 -7.207 1.578 1.00 0.00 H new ATOM 0 HA HIS A 113 10.896 -5.171 1.804 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.011 -3.917 3.751 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.296 -5.433 4.263 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.149 -6.834 5.782 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.586 -5.622 3.832 1.00 0.00 H new ATOM 0 HE2 HIS A 113 15.705 -7.060 5.741 1.00 0.00 H new ATOM 1668 N LEU A 114 12.635 -3.334 1.073 1.00 0.00 N ATOM 1669 CA LEU A 114 13.552 -2.496 0.214 1.00 0.00 C ATOM 1670 C LEU A 114 13.450 -0.981 0.564 1.00 0.00 C ATOM 1671 O LEU A 114 12.636 -0.579 1.373 1.00 0.00 O ATOM 1672 CB LEU A 114 13.136 -2.841 -1.251 1.00 0.00 C ATOM 1673 CG LEU A 114 13.941 -2.140 -2.374 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.459 -2.368 -2.205 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.529 -2.800 -3.698 1.00 0.00 C ATOM 0 H LEU A 114 11.840 -2.831 1.467 1.00 0.00 H new ATOM 0 HA LEU A 114 14.607 -2.717 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.225 -3.919 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.083 -2.590 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 114 13.738 -1.069 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.994 -1.863 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.783 -1.966 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.673 -3.436 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.073 -2.336 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.763 -3.864 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.458 -2.669 -3.852 1.00 0.00 H new ATOM 1687 N ASN A 115 14.258 -0.128 -0.010 1.00 0.00 N ATOM 1688 CA ASN A 115 14.156 1.326 0.314 1.00 0.00 C ATOM 1689 C ASN A 115 13.876 1.982 -1.064 1.00 0.00 C ATOM 1690 O ASN A 115 14.650 1.877 -2.000 1.00 0.00 O ATOM 1691 CB ASN A 115 15.495 1.679 0.983 1.00 0.00 C ATOM 1692 CG ASN A 115 15.352 3.003 1.714 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.729 3.178 2.858 1.00 0.00 O ATOM 1694 ND2 ASN A 115 14.808 3.987 1.085 1.00 0.00 N ATOM 0 H ASN A 115 14.981 -0.374 -0.686 1.00 0.00 H new ATOM 0 HA ASN A 115 13.377 1.656 1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 115 15.785 0.894 1.681 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.283 1.747 0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 115 14.701 4.890 1.546 1.00 0.00 H new ATOM 0 HD22 ASN A 115 14.485 3.863 0.126 1.00 0.00 H new ATOM 1701 N VAL A 116 12.746 2.640 -1.117 1.00 0.00 N ATOM 1702 CA VAL A 116 12.283 3.328 -2.374 1.00 0.00 C ATOM 1703 C VAL A 116 11.828 4.796 -2.176 1.00 0.00 C ATOM 1704 O VAL A 116 11.836 5.320 -1.078 1.00 0.00 O ATOM 1705 CB VAL A 116 11.097 2.467 -2.979 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.389 0.935 -2.856 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.760 2.749 -2.232 1.00 0.00 C ATOM 0 H VAL A 116 12.107 2.735 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 116 13.136 3.389 -3.049 1.00 0.00 H new ATOM 0 HB VAL A 116 11.012 2.752 -4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.558 0.371 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.304 0.694 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.509 0.671 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.965 2.145 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.872 2.495 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.506 3.805 -2.326 1.00 0.00 H new ATOM 1717 N ASN A 117 11.444 5.399 -3.280 1.00 0.00 N ATOM 1718 CA ASN A 117 10.952 6.828 -3.314 1.00 0.00 C ATOM 1719 C ASN A 117 9.543 6.846 -3.941 1.00 0.00 C ATOM 1720 O ASN A 117 9.310 6.072 -4.861 1.00 0.00 O ATOM 1721 CB ASN A 117 11.845 7.696 -4.200 1.00 0.00 C ATOM 1722 CG ASN A 117 13.285 7.408 -3.922 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.730 7.231 -2.816 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.079 7.345 -4.928 1.00 0.00 N ATOM 0 H ASN A 117 11.450 4.946 -4.194 1.00 0.00 H new ATOM 0 HA ASN A 117 10.956 7.215 -2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.624 7.504 -5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.636 8.750 -4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.069 7.148 -4.784 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.720 7.492 -5.871 1.00 0.00 H new ATOM 1731 N TYR A 118 8.667 7.707 -3.465 1.00 0.00 N ATOM 1732 CA TYR A 118 7.297 7.728 -4.074 1.00 0.00 C ATOM 1733 C TYR A 118 6.629 9.132 -4.068 1.00 0.00 C ATOM 1734 O TYR A 118 6.694 9.908 -3.128 1.00 0.00 O ATOM 1735 CB TYR A 118 6.446 6.678 -3.315 1.00 0.00 C ATOM 1736 CG TYR A 118 6.276 7.055 -1.854 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.247 7.886 -1.488 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.143 6.574 -0.900 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.083 8.236 -0.173 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.980 6.925 0.425 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.946 7.759 0.784 1.00 0.00 C ATOM 1742 OH TYR A 118 5.738 8.147 2.081 1.00 0.00 O ATOM 0 H TYR A 118 8.833 8.372 -2.710 1.00 0.00 H new ATOM 0 HA TYR A 118 7.373 7.479 -5.132 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.467 6.591 -3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.922 5.700 -3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.566 8.264 -2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.953 5.920 -1.189 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.272 8.890 0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.659 6.548 1.175 1.00 0.00 H new ATOM 0 HH TYR A 118 4.885 8.625 2.147 1.00 0.00 H new ATOM 1752 N GLN A 119 5.998 9.401 -5.178 1.00 0.00 N ATOM 1753 CA GLN A 119 5.290 10.711 -5.380 1.00 0.00 C ATOM 1754 C GLN A 119 3.825 10.526 -5.856 1.00 0.00 C ATOM 1755 O GLN A 119 3.597 9.802 -6.811 1.00 0.00 O ATOM 1756 CB GLN A 119 6.097 11.563 -6.447 1.00 0.00 C ATOM 1757 CG GLN A 119 7.476 10.917 -6.892 1.00 0.00 C ATOM 1758 CD GLN A 119 8.541 10.832 -5.786 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.530 10.149 -5.928 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.402 11.489 -4.684 1.00 0.00 N ATOM 0 H GLN A 119 5.939 8.762 -5.970 1.00 0.00 H new ATOM 0 HA GLN A 119 5.249 11.226 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.473 11.703 -7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.290 12.553 -6.033 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.284 9.912 -7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.881 11.497 -7.721 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.578 12.072 -4.538 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.116 11.425 -3.959 1.00 0.00 H new ATOM 1769 N PHE A 120 2.859 11.153 -5.216 1.00 0.00 N ATOM 1770 CA PHE A 120 1.440 10.979 -5.690 1.00 0.00 C ATOM 1771 C PHE A 120 1.405 11.593 -7.116 1.00 0.00 C ATOM 1772 O PHE A 120 1.833 12.710 -7.329 1.00 0.00 O ATOM 1773 CB PHE A 120 0.488 11.722 -4.715 1.00 0.00 C ATOM 1774 CG PHE A 120 0.257 10.948 -3.383 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.138 9.987 -2.913 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.885 11.202 -2.634 1.00 0.00 C ATOM 1777 CE1 PHE A 120 0.881 9.309 -1.742 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.141 10.522 -1.462 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.258 9.573 -1.019 1.00 0.00 C ATOM 0 H PHE A 120 2.984 11.762 -4.407 1.00 0.00 H new ATOM 0 HA PHE A 120 1.118 9.938 -5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 120 0.902 12.705 -4.491 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.472 11.884 -5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.036 9.767 -3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.587 11.948 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.579 8.565 -1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.035 10.737 -0.895 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.456 9.034 -0.104 1.00 0.00 H new ATOM 1789 N VAL A 121 0.881 10.833 -8.032 1.00 0.00 N ATOM 1790 CA VAL A 121 0.790 11.258 -9.473 1.00 0.00 C ATOM 1791 C VAL A 121 -0.579 10.966 -10.154 1.00 0.00 C ATOM 1792 O VAL A 121 -1.368 10.168 -9.683 1.00 0.00 O ATOM 1793 CB VAL A 121 2.015 10.515 -10.133 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.633 9.568 -11.279 1.00 0.00 C ATOM 1795 CG2 VAL A 121 3.058 11.495 -10.665 1.00 0.00 C ATOM 0 H VAL A 121 0.498 9.906 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 121 0.839 12.341 -9.590 1.00 0.00 H new ATOM 0 HB VAL A 121 2.427 9.918 -9.319 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.532 9.098 -11.677 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.956 8.799 -10.906 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.139 10.134 -12.069 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.884 10.941 -11.111 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.603 12.137 -11.419 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.433 12.108 -9.845 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.860 11.619 -11.250 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.166 11.363 -11.946 1.00 0.00 C ATOM 1807 C ASP A 122 -1.936 10.207 -12.945 1.00 0.00 C ATOM 1808 O ASP A 122 -0.798 9.927 -13.272 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.599 12.670 -12.658 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.771 12.387 -13.594 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.704 11.760 -13.110 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.644 12.813 -14.734 1.00 0.00 O ATOM 0 H ASP A 122 -0.255 12.310 -11.693 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.960 11.078 -11.256 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.884 13.419 -11.920 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.762 13.081 -13.223 1.00 0.00 H new ATOM 1817 N CYS A 123 -2.977 9.580 -13.425 1.00 0.00 N ATOM 1818 CA CYS A 123 -2.721 8.460 -14.395 1.00 0.00 C ATOM 1819 C CYS A 123 -2.674 8.936 -15.846 1.00 0.00 C ATOM 1820 O CYS A 123 -2.111 8.244 -16.668 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.813 7.401 -14.228 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.228 6.953 -12.519 1.00 0.00 S ATOM 0 H CYS A 123 -3.953 9.777 -13.205 1.00 0.00 H new ATOM 0 HA CYS A 123 -1.740 8.041 -14.170 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.718 7.759 -14.719 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -3.501 6.499 -14.754 1.00 0.00 H new ATOM 1827 N ARG A 124 -3.253 10.078 -16.093 1.00 0.00 N ATOM 1828 CA ARG A 124 -3.284 10.671 -17.477 1.00 0.00 C ATOM 1829 C ARG A 124 -3.759 9.655 -18.580 1.00 0.00 C ATOM 1830 O ARG A 124 -3.086 9.507 -19.583 1.00 0.00 O ATOM 1831 CB ARG A 124 -1.815 11.201 -17.705 1.00 0.00 C ATOM 1832 CG ARG A 124 -1.671 12.374 -18.736 1.00 0.00 C ATOM 1833 CD ARG A 124 -2.248 13.671 -18.147 1.00 0.00 C ATOM 1834 NE ARG A 124 -1.832 14.830 -19.037 1.00 0.00 N ATOM 1835 CZ ARG A 124 -1.196 15.838 -18.567 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -1.766 16.553 -17.688 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -0.030 16.078 -19.003 1.00 0.00 N ATOM 0 H ARG A 124 -3.719 10.644 -15.383 1.00 0.00 H new ATOM 0 HA ARG A 124 -4.021 11.470 -17.560 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -1.414 11.532 -16.747 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -1.195 10.369 -18.039 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -0.621 12.517 -18.991 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -2.192 12.122 -19.660 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.335 13.610 -18.088 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -1.881 13.822 -17.132 1.00 0.00 H new ATOM 0 HE ARG A 124 -2.064 14.805 -20.030 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -2.707 16.319 -17.373 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -1.283 17.362 -17.297 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.383 15.474 -19.714 1.00 0.00 H new ATOM 0 HH22 ARG A 124 0.495 16.875 -18.643 1.00 0.00 H new ATOM 1851 N ASP A 125 -4.888 9.019 -18.353 1.00 0.00 N ATOM 1852 CA ASP A 125 -5.464 8.018 -19.314 1.00 0.00 C ATOM 1853 C ASP A 125 -6.156 8.678 -20.544 1.00 0.00 C ATOM 1854 O ASP A 125 -6.505 9.850 -20.483 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.486 7.151 -18.503 1.00 0.00 C ATOM 1856 CG ASP A 125 -6.947 5.929 -19.286 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -6.050 5.265 -19.773 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -8.135 5.660 -19.372 1.00 0.00 O ATOM 1859 OXT ASP A 125 -6.302 7.944 -21.509 1.00 0.00 O ATOM 0 H ASP A 125 -5.451 9.158 -17.514 1.00 0.00 H new ATOM 0 HA ASP A 125 -4.659 7.412 -19.729 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.027 6.830 -17.568 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.351 7.761 -18.241 1.00 0.00 H new TER 1864 ASP A 125