USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 824 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 7 THR OG1 : rot 180:sc= 0.496 USER MOD Set 1.2: A 64 ASN : amide:sc= 0.79 K(o=1.3,f=-2.5!) USER MOD Single : A 1 SER N :NH3+ 140:sc= 0.0251 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.169 K(o=0.17,f=-10!) USER MOD Single : A 13 SER OG : rot -45:sc= 1.82 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -82:sc= 1.23 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00329 USER MOD Single : A 24 MET CE :methyl -173:sc= 0 (180deg=-0.0786) USER MOD Single : A 33 CYS SG : rot 92:sc= 0.413 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 36 CYS SG : rot 71:sc= 0.893 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 164:sc= 1.19 USER MOD Single : A 48 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 1.06 (180deg=1.06) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 160:sc= 0 USER MOD Single : A 65 THR OG1 : rot -40:sc= 1.32 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.27 X(o=0.27,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 159:sc= 0.159 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 128:sc= 1.06 USER MOD Single : A 80 LYS NZ :NH3+ -147:sc= 1.37 (180deg=0.984) USER MOD Single : A 91 TYR OH : rot 174:sc= 1.18 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 102 SER OG : rot -84:sc= 1.23 USER MOD Single : A 103 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0.888 K(o=0.89,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.808 0.984 14.209 1.00 0.00 N ATOM 2 CA SER A 1 -3.302 0.860 12.822 1.00 0.00 C ATOM 3 C SER A 1 -2.268 -0.260 12.681 1.00 0.00 C ATOM 4 O SER A 1 -1.586 -0.621 13.642 1.00 0.00 O ATOM 5 CB SER A 1 -2.710 2.196 12.323 1.00 0.00 C ATOM 6 OG SER A 1 -1.682 2.661 13.186 1.00 0.00 O ATOM 0 H1 SER A 1 -3.909 1.990 14.453 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.733 0.515 14.284 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.138 0.534 14.865 1.00 0.00 H new ATOM 0 HA SER A 1 -4.159 0.601 12.200 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.312 2.066 11.317 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.500 2.944 12.259 1.00 0.00 H new ATOM 0 HG SER A 1 -1.325 3.507 12.844 1.00 0.00 H new ATOM 14 N ASP A 2 -2.129 -0.810 11.461 1.00 0.00 N ATOM 15 CA ASP A 2 -1.148 -1.863 11.119 1.00 0.00 C ATOM 16 C ASP A 2 -0.377 -1.591 9.803 1.00 0.00 C ATOM 17 O ASP A 2 0.413 -2.425 9.350 1.00 0.00 O ATOM 18 CB ASP A 2 -1.865 -3.231 11.115 1.00 0.00 C ATOM 19 CG ASP A 2 -1.525 -4.048 12.370 1.00 0.00 C ATOM 20 OD1 ASP A 2 -0.345 -4.451 12.530 1.00 0.00 O ATOM 21 OD2 ASP A 2 -2.432 -4.327 13.192 1.00 0.00 O ATOM 0 H ASP A 2 -2.706 -0.531 10.667 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.372 -1.865 11.884 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.943 -3.078 11.060 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.577 -3.791 10.226 1.00 0.00 H new ATOM 26 N VAL A 3 -0.567 -0.411 9.191 1.00 0.00 N ATOM 27 CA VAL A 3 0.153 0.032 7.980 1.00 0.00 C ATOM 28 C VAL A 3 1.590 0.443 8.333 1.00 0.00 C ATOM 29 O VAL A 3 1.807 1.222 9.265 1.00 0.00 O ATOM 30 CB VAL A 3 -0.574 1.224 7.324 1.00 0.00 C ATOM 31 CG1 VAL A 3 0.122 1.683 6.038 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.022 0.876 6.956 1.00 0.00 C ATOM 0 H VAL A 3 -1.239 0.278 9.529 1.00 0.00 H new ATOM 0 HA VAL A 3 0.179 -0.801 7.277 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.553 2.021 8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.423 2.524 5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.142 1.991 6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.143 0.861 5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.499 1.742 6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.029 0.043 6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.569 0.596 7.856 1.00 0.00 H new ATOM 42 N LEU A 4 2.575 -0.046 7.575 1.00 0.00 N ATOM 43 CA LEU A 4 3.978 0.355 7.676 1.00 0.00 C ATOM 44 C LEU A 4 4.192 1.792 7.152 1.00 0.00 C ATOM 45 O LEU A 4 4.029 2.070 5.963 1.00 0.00 O ATOM 46 CB LEU A 4 4.851 -0.642 6.888 1.00 0.00 C ATOM 47 CG LEU A 4 4.815 -2.104 7.371 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.623 -2.978 6.412 1.00 0.00 C ATOM 49 CD2 LEU A 4 5.388 -2.260 8.785 1.00 0.00 C ATOM 0 H LEU A 4 2.413 -0.750 6.855 1.00 0.00 H new ATOM 0 HA LEU A 4 4.269 0.344 8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.541 -0.618 5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.884 -0.295 6.922 1.00 0.00 H new ATOM 0 HG LEU A 4 3.771 -2.415 7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.598 -4.013 6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.193 -2.915 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.656 -2.630 6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.342 -3.308 9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.425 -1.925 8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.805 -1.658 9.482 1.00 0.00 H new ATOM 61 N GLU A 5 4.558 2.723 8.030 1.00 0.00 N ATOM 62 CA GLU A 5 4.784 4.142 7.702 1.00 0.00 C ATOM 63 C GLU A 5 6.204 4.392 7.144 1.00 0.00 C ATOM 64 O GLU A 5 7.020 5.113 7.731 1.00 0.00 O ATOM 65 CB GLU A 5 4.396 5.041 8.896 1.00 0.00 C ATOM 66 CG GLU A 5 5.061 4.685 10.234 1.00 0.00 C ATOM 67 CD GLU A 5 4.691 5.703 11.330 1.00 0.00 C ATOM 68 OE1 GLU A 5 3.672 5.501 12.037 1.00 0.00 O ATOM 69 OE2 GLU A 5 5.417 6.713 11.500 1.00 0.00 O ATOM 0 H GLU A 5 4.711 2.513 9.016 1.00 0.00 H new ATOM 0 HA GLU A 5 4.122 4.424 6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.647 6.072 8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.314 4.998 9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.751 3.686 10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.144 4.659 10.109 1.00 0.00 H new ATOM 76 N LEU A 6 6.523 3.734 6.030 1.00 0.00 N ATOM 77 CA LEU A 6 7.869 3.727 5.439 1.00 0.00 C ATOM 78 C LEU A 6 8.343 5.109 4.941 1.00 0.00 C ATOM 79 O LEU A 6 7.558 5.937 4.469 1.00 0.00 O ATOM 80 CB LEU A 6 7.943 2.699 4.290 1.00 0.00 C ATOM 81 CG LEU A 6 7.547 1.260 4.665 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.710 0.341 3.452 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.400 0.703 5.802 1.00 0.00 C ATOM 0 H LEU A 6 5.847 3.182 5.502 1.00 0.00 H new ATOM 0 HA LEU A 6 8.547 3.444 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.296 3.037 3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.961 2.688 3.900 1.00 0.00 H new ATOM 0 HG LEU A 6 6.508 1.294 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.428 -0.676 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.069 0.690 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.749 0.353 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.083 -0.314 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.448 0.697 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.280 1.328 6.687 1.00 0.00 H new ATOM 95 N THR A 7 9.657 5.330 5.010 1.00 0.00 N ATOM 96 CA THR A 7 10.362 6.525 4.504 1.00 0.00 C ATOM 97 C THR A 7 11.840 6.194 4.248 1.00 0.00 C ATOM 98 O THR A 7 12.306 5.131 4.648 1.00 0.00 O ATOM 99 CB THR A 7 10.177 7.700 5.484 1.00 0.00 C ATOM 100 OG1 THR A 7 10.636 8.909 4.915 1.00 0.00 O ATOM 101 CG2 THR A 7 10.881 7.521 6.833 1.00 0.00 C ATOM 0 H THR A 7 10.293 4.656 5.437 1.00 0.00 H new ATOM 0 HA THR A 7 9.933 6.833 3.550 1.00 0.00 H new ATOM 0 HB THR A 7 9.104 7.728 5.672 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.507 9.641 5.554 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.697 8.395 7.458 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.494 6.631 7.330 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.953 7.410 6.672 1.00 0.00 H new ATOM 109 N ASP A 8 12.605 7.079 3.609 1.00 0.00 N ATOM 110 CA ASP A 8 14.026 6.886 3.265 1.00 0.00 C ATOM 111 C ASP A 8 14.933 6.438 4.438 1.00 0.00 C ATOM 112 O ASP A 8 15.939 5.753 4.229 1.00 0.00 O ATOM 113 CB ASP A 8 14.532 8.195 2.646 1.00 0.00 C ATOM 114 CG ASP A 8 15.994 8.114 2.180 1.00 0.00 C ATOM 115 OD1 ASP A 8 16.263 7.476 1.132 1.00 0.00 O ATOM 116 OD2 ASP A 8 16.876 8.713 2.845 1.00 0.00 O ATOM 0 H ASP A 8 12.246 7.983 3.303 1.00 0.00 H new ATOM 0 HA ASP A 8 14.084 6.054 2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.900 8.457 1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.433 8.998 3.377 1.00 0.00 H new ATOM 121 N ASP A 9 14.553 6.761 5.680 1.00 0.00 N ATOM 122 CA ASP A 9 15.245 6.347 6.912 1.00 0.00 C ATOM 123 C ASP A 9 15.163 4.831 7.200 1.00 0.00 C ATOM 124 O ASP A 9 16.021 4.295 7.906 1.00 0.00 O ATOM 125 CB ASP A 9 14.638 7.128 8.089 1.00 0.00 C ATOM 126 CG ASP A 9 15.468 6.997 9.376 1.00 0.00 C ATOM 127 OD1 ASP A 9 16.591 7.548 9.429 1.00 0.00 O ATOM 128 OD2 ASP A 9 14.990 6.373 10.354 1.00 0.00 O ATOM 0 H ASP A 9 13.730 7.335 5.864 1.00 0.00 H new ATOM 0 HA ASP A 9 16.304 6.568 6.779 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.557 8.181 7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.626 6.768 8.275 1.00 0.00 H new ATOM 133 N ASN A 10 14.149 4.136 6.659 1.00 0.00 N ATOM 134 CA ASN A 10 13.858 2.732 6.983 1.00 0.00 C ATOM 135 C ASN A 10 13.457 1.827 5.799 1.00 0.00 C ATOM 136 O ASN A 10 13.626 0.612 5.898 1.00 0.00 O ATOM 137 CB ASN A 10 12.781 2.696 8.093 1.00 0.00 C ATOM 138 CG ASN A 10 11.432 3.308 7.712 1.00 0.00 C ATOM 139 OD1 ASN A 10 10.929 3.172 6.609 1.00 0.00 O ATOM 140 ND2 ASN A 10 10.782 3.997 8.621 1.00 0.00 N ATOM 0 H ASN A 10 13.503 4.537 5.979 1.00 0.00 H new ATOM 0 HA ASN A 10 14.802 2.302 7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.621 1.659 8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.166 3.221 8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.875 4.406 8.398 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.184 4.123 9.550 1.00 0.00 H new ATOM 147 N PHE A 11 12.976 2.381 4.682 1.00 0.00 N ATOM 148 CA PHE A 11 12.356 1.625 3.583 1.00 0.00 C ATOM 149 C PHE A 11 13.215 0.435 3.121 1.00 0.00 C ATOM 150 O PHE A 11 12.712 -0.680 3.025 1.00 0.00 O ATOM 151 CB PHE A 11 12.039 2.609 2.441 1.00 0.00 C ATOM 152 CG PHE A 11 11.350 2.024 1.218 1.00 0.00 C ATOM 153 CD1 PHE A 11 12.098 1.321 0.254 1.00 0.00 C ATOM 154 CD2 PHE A 11 9.972 2.230 1.000 1.00 0.00 C ATOM 155 CE1 PHE A 11 11.471 0.805 -0.894 1.00 0.00 C ATOM 156 CE2 PHE A 11 9.345 1.715 -0.146 1.00 0.00 C ATOM 157 CZ PHE A 11 10.094 1.005 -1.098 1.00 0.00 C ATOM 0 H PHE A 11 13.006 3.386 4.510 1.00 0.00 H new ATOM 0 HA PHE A 11 11.430 1.171 3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.410 3.405 2.840 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.972 3.072 2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.159 1.177 0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.394 2.789 1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.049 0.254 -1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.286 1.865 -0.295 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.615 0.614 -1.983 1.00 0.00 H new ATOM 167 N GLU A 12 14.523 0.641 2.947 1.00 0.00 N ATOM 168 CA GLU A 12 15.480 -0.351 2.421 1.00 0.00 C ATOM 169 C GLU A 12 15.707 -1.585 3.324 1.00 0.00 C ATOM 170 O GLU A 12 16.399 -2.527 2.933 1.00 0.00 O ATOM 171 CB GLU A 12 16.834 0.325 2.146 1.00 0.00 C ATOM 172 CG GLU A 12 16.761 1.372 1.029 1.00 0.00 C ATOM 173 CD GLU A 12 18.177 1.825 0.619 1.00 0.00 C ATOM 174 OE1 GLU A 12 18.770 2.692 1.308 1.00 0.00 O ATOM 175 OE2 GLU A 12 18.709 1.317 -0.401 1.00 0.00 O ATOM 0 H GLU A 12 14.966 1.531 3.174 1.00 0.00 H new ATOM 0 HA GLU A 12 15.025 -0.728 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.190 0.800 3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.566 -0.436 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.242 0.956 0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 12 16.181 2.231 1.366 1.00 0.00 H new ATOM 182 N SER A 13 15.119 -1.589 4.523 1.00 0.00 N ATOM 183 CA SER A 13 15.173 -2.696 5.497 1.00 0.00 C ATOM 184 C SER A 13 13.839 -3.448 5.686 1.00 0.00 C ATOM 185 O SER A 13 13.822 -4.564 6.215 1.00 0.00 O ATOM 186 CB SER A 13 15.606 -2.139 6.853 1.00 0.00 C ATOM 187 OG SER A 13 14.562 -1.353 7.413 1.00 0.00 O ATOM 0 H SER A 13 14.572 -0.797 4.859 1.00 0.00 H new ATOM 0 HA SER A 13 15.884 -3.418 5.095 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.858 -2.957 7.528 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.505 -1.534 6.736 1.00 0.00 H new ATOM 0 HG SER A 13 14.197 -0.757 6.726 1.00 0.00 H new ATOM 193 N ARG A 14 12.715 -2.838 5.271 1.00 0.00 N ATOM 194 CA ARG A 14 11.346 -3.307 5.565 1.00 0.00 C ATOM 195 C ARG A 14 10.685 -4.056 4.408 1.00 0.00 C ATOM 196 O ARG A 14 9.784 -4.860 4.629 1.00 0.00 O ATOM 197 CB ARG A 14 10.474 -2.107 5.954 1.00 0.00 C ATOM 198 CG ARG A 14 10.924 -1.329 7.206 1.00 0.00 C ATOM 199 CD ARG A 14 11.124 -2.216 8.442 1.00 0.00 C ATOM 200 NE ARG A 14 11.048 -1.434 9.690 1.00 0.00 N ATOM 201 CZ ARG A 14 12.024 -0.828 10.347 1.00 0.00 C ATOM 202 NH1 ARG A 14 13.256 -0.788 9.921 1.00 0.00 N ATOM 203 NH2 ARG A 14 11.768 -0.230 11.477 1.00 0.00 N ATOM 0 H ARG A 14 12.731 -1.987 4.710 1.00 0.00 H new ATOM 0 HA ARG A 14 11.432 -4.020 6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.443 -1.416 5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.455 -2.459 6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.858 -0.811 6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.182 -0.564 7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.365 -2.998 8.456 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.093 -2.712 8.381 1.00 0.00 H new ATOM 0 HE ARG A 14 10.119 -1.349 10.102 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.506 -1.238 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.969 -0.306 10.468 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.819 -0.231 11.851 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.517 0.238 11.987 1.00 0.00 H new ATOM 217 N ILE A 15 11.173 -3.874 3.178 1.00 0.00 N ATOM 218 CA ILE A 15 10.743 -4.645 1.992 1.00 0.00 C ATOM 219 C ILE A 15 10.957 -6.162 2.135 1.00 0.00 C ATOM 220 O ILE A 15 10.333 -6.960 1.436 1.00 0.00 O ATOM 221 CB ILE A 15 11.385 -4.122 0.694 1.00 0.00 C ATOM 222 CG1 ILE A 15 12.829 -4.608 0.414 1.00 0.00 C ATOM 223 CG2 ILE A 15 11.310 -2.594 0.642 1.00 0.00 C ATOM 224 CD1 ILE A 15 13.880 -4.229 1.465 1.00 0.00 C ATOM 0 H ILE A 15 11.889 -3.178 2.967 1.00 0.00 H new ATOM 0 HA ILE A 15 9.667 -4.486 1.926 1.00 0.00 H new ATOM 0 HB ILE A 15 10.791 -4.562 -0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.814 -5.694 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 15 13.146 -4.208 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 15 11.768 -2.238 -0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.267 -2.280 0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.842 -2.174 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.852 -4.621 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 15 13.936 -3.144 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.599 -4.653 2.429 1.00 0.00 H new ATOM 236 N SER A 16 11.831 -6.549 3.063 1.00 0.00 N ATOM 237 CA SER A 16 12.212 -7.936 3.372 1.00 0.00 C ATOM 238 C SER A 16 11.106 -8.709 4.089 1.00 0.00 C ATOM 239 O SER A 16 11.097 -9.944 4.073 1.00 0.00 O ATOM 240 CB SER A 16 13.479 -7.956 4.245 1.00 0.00 C ATOM 241 OG SER A 16 14.552 -7.278 3.601 1.00 0.00 O ATOM 0 H SER A 16 12.319 -5.874 3.652 1.00 0.00 H new ATOM 0 HA SER A 16 12.396 -8.426 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.271 -7.485 5.206 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.767 -8.987 4.451 1.00 0.00 H new ATOM 0 HG SER A 16 15.346 -7.302 4.175 1.00 0.00 H new ATOM 247 N ASP A 17 10.135 -8.003 4.682 1.00 0.00 N ATOM 248 CA ASP A 17 8.969 -8.610 5.345 1.00 0.00 C ATOM 249 C ASP A 17 7.960 -9.262 4.370 1.00 0.00 C ATOM 250 O ASP A 17 7.009 -9.922 4.786 1.00 0.00 O ATOM 251 CB ASP A 17 8.297 -7.567 6.251 1.00 0.00 C ATOM 252 CG ASP A 17 9.086 -7.342 7.553 1.00 0.00 C ATOM 253 OD1 ASP A 17 9.094 -8.256 8.410 1.00 0.00 O ATOM 254 OD2 ASP A 17 9.692 -6.258 7.734 1.00 0.00 O ATOM 0 H ASP A 17 10.135 -6.984 4.716 1.00 0.00 H new ATOM 0 HA ASP A 17 9.337 -9.438 5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.208 -6.623 5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.285 -7.894 6.492 1.00 0.00 H new ATOM 259 N THR A 18 8.186 -9.111 3.061 1.00 0.00 N ATOM 260 CA THR A 18 7.434 -9.779 1.975 1.00 0.00 C ATOM 261 C THR A 18 7.553 -11.305 1.945 1.00 0.00 C ATOM 262 O THR A 18 6.688 -11.961 1.368 1.00 0.00 O ATOM 263 CB THR A 18 7.900 -9.285 0.593 1.00 0.00 C ATOM 264 OG1 THR A 18 9.305 -9.281 0.470 1.00 0.00 O ATOM 265 CG2 THR A 18 7.389 -7.880 0.320 1.00 0.00 C ATOM 0 H THR A 18 8.922 -8.500 2.708 1.00 0.00 H new ATOM 0 HA THR A 18 6.398 -9.517 2.189 1.00 0.00 H new ATOM 0 HB THR A 18 7.488 -9.984 -0.134 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.667 -8.467 0.878 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.731 -7.553 -0.662 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.299 -7.878 0.344 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.770 -7.200 1.082 1.00 0.00 H new ATOM 273 N GLY A 19 8.600 -11.880 2.545 1.00 0.00 N ATOM 274 CA GLY A 19 8.970 -13.299 2.435 1.00 0.00 C ATOM 275 C GLY A 19 7.864 -14.327 2.734 1.00 0.00 C ATOM 276 O GLY A 19 7.838 -15.385 2.096 1.00 0.00 O ATOM 0 H GLY A 19 9.237 -11.353 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.336 -13.478 1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.802 -13.487 3.114 1.00 0.00 H new ATOM 280 N SER A 20 6.942 -14.034 3.657 1.00 0.00 N ATOM 281 CA SER A 20 5.820 -14.921 4.021 1.00 0.00 C ATOM 282 C SER A 20 4.589 -14.764 3.117 1.00 0.00 C ATOM 283 O SER A 20 3.941 -15.756 2.773 1.00 0.00 O ATOM 284 CB SER A 20 5.411 -14.657 5.473 1.00 0.00 C ATOM 285 OG SER A 20 5.121 -13.283 5.686 1.00 0.00 O ATOM 0 H SER A 20 6.950 -13.161 4.184 1.00 0.00 H new ATOM 0 HA SER A 20 6.180 -15.942 3.890 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.536 -15.258 5.722 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.213 -14.969 6.142 1.00 0.00 H new ATOM 0 HG SER A 20 4.861 -13.145 6.621 1.00 0.00 H new ATOM 291 N ALA A 21 4.265 -13.530 2.720 1.00 0.00 N ATOM 292 CA ALA A 21 3.095 -13.171 1.908 1.00 0.00 C ATOM 293 C ALA A 21 3.313 -13.296 0.385 1.00 0.00 C ATOM 294 O ALA A 21 2.352 -13.431 -0.374 1.00 0.00 O ATOM 295 CB ALA A 21 2.713 -11.735 2.273 1.00 0.00 C ATOM 0 H ALA A 21 4.833 -12.719 2.965 1.00 0.00 H new ATOM 0 HA ALA A 21 2.299 -13.880 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.845 -11.430 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.473 -11.681 3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.549 -11.070 2.056 1.00 0.00 H new ATOM 301 N GLY A 22 4.572 -13.219 -0.068 1.00 0.00 N ATOM 302 CA GLY A 22 4.990 -13.216 -1.475 1.00 0.00 C ATOM 303 C GLY A 22 5.157 -11.811 -2.072 1.00 0.00 C ATOM 304 O GLY A 22 6.000 -11.608 -2.947 1.00 0.00 O ATOM 0 H GLY A 22 5.365 -13.154 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.935 -13.753 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.255 -13.765 -2.063 1.00 0.00 H new ATOM 308 N LEU A 23 4.403 -10.819 -1.588 1.00 0.00 N ATOM 309 CA LEU A 23 4.453 -9.422 -2.034 1.00 0.00 C ATOM 310 C LEU A 23 4.037 -8.434 -0.926 1.00 0.00 C ATOM 311 O LEU A 23 3.537 -8.840 0.121 1.00 0.00 O ATOM 312 CB LEU A 23 3.615 -9.272 -3.327 1.00 0.00 C ATOM 313 CG LEU A 23 2.079 -9.399 -3.203 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.414 -8.121 -2.680 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.502 -9.688 -4.589 1.00 0.00 C ATOM 0 H LEU A 23 3.717 -10.971 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 23 5.486 -9.160 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.838 -8.297 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.958 -10.023 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 23 1.878 -10.200 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.336 -8.272 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.808 -7.884 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.624 -7.296 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.418 -9.781 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.754 -8.871 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.922 -10.618 -4.971 1.00 0.00 H new ATOM 327 N MET A 24 4.189 -7.136 -1.194 1.00 0.00 N ATOM 328 CA MET A 24 3.680 -6.024 -0.372 1.00 0.00 C ATOM 329 C MET A 24 2.892 -5.042 -1.246 1.00 0.00 C ATOM 330 O MET A 24 3.268 -4.785 -2.394 1.00 0.00 O ATOM 331 CB MET A 24 4.861 -5.321 0.323 1.00 0.00 C ATOM 332 CG MET A 24 4.469 -4.158 1.237 1.00 0.00 C ATOM 333 SD MET A 24 5.861 -3.281 2.009 1.00 0.00 S ATOM 334 CE MET A 24 6.551 -4.564 3.097 1.00 0.00 C ATOM 0 H MET A 24 4.689 -6.812 -2.022 1.00 0.00 H new ATOM 0 HA MET A 24 3.005 -6.410 0.392 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.409 -6.058 0.911 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.545 -4.950 -0.440 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.885 -3.442 0.658 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.818 -4.538 2.024 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.331 -4.130 3.723 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.761 -4.968 3.730 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.975 -5.365 2.492 1.00 0.00 H new ATOM 344 N LEU A 25 1.824 -4.476 -0.691 1.00 0.00 N ATOM 345 CA LEU A 25 1.056 -3.379 -1.278 1.00 0.00 C ATOM 346 C LEU A 25 1.497 -2.058 -0.615 1.00 0.00 C ATOM 347 O LEU A 25 1.616 -1.993 0.608 1.00 0.00 O ATOM 348 CB LEU A 25 -0.437 -3.664 -1.041 1.00 0.00 C ATOM 349 CG LEU A 25 -1.407 -2.616 -1.633 1.00 0.00 C ATOM 350 CD1 LEU A 25 -1.403 -2.618 -3.163 1.00 0.00 C ATOM 351 CD2 LEU A 25 -2.833 -2.930 -1.189 1.00 0.00 C ATOM 0 H LEU A 25 1.456 -4.778 0.211 1.00 0.00 H new ATOM 0 HA LEU A 25 1.229 -3.293 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.677 -4.639 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.612 -3.732 0.033 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.072 -1.643 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.100 -1.865 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.400 -2.391 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.706 -3.600 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.516 -2.190 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.114 -3.923 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.890 -2.902 -0.101 1.00 0.00 H new ATOM 363 N VAL A 26 1.728 -0.997 -1.391 1.00 0.00 N ATOM 364 CA VAL A 26 2.200 0.292 -0.846 1.00 0.00 C ATOM 365 C VAL A 26 1.473 1.458 -1.511 1.00 0.00 C ATOM 366 O VAL A 26 1.256 1.451 -2.720 1.00 0.00 O ATOM 367 CB VAL A 26 3.726 0.447 -0.996 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.254 1.719 -0.314 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.533 -0.773 -0.531 1.00 0.00 C ATOM 0 H VAL A 26 1.597 -0.998 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 26 1.970 0.302 0.220 1.00 0.00 H new ATOM 0 HB VAL A 26 3.880 0.533 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.334 1.782 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.781 2.594 -0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.022 1.684 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.597 -0.580 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.334 -0.960 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.242 -1.646 -1.116 1.00 0.00 H new ATOM 379 N GLU A 27 1.100 2.462 -0.721 1.00 0.00 N ATOM 380 CA GLU A 27 0.349 3.643 -1.157 1.00 0.00 C ATOM 381 C GLU A 27 1.232 4.896 -1.096 1.00 0.00 C ATOM 382 O GLU A 27 1.772 5.245 -0.044 1.00 0.00 O ATOM 383 CB GLU A 27 -0.889 3.802 -0.261 1.00 0.00 C ATOM 384 CG GLU A 27 -1.779 4.978 -0.677 1.00 0.00 C ATOM 385 CD GLU A 27 -3.000 5.063 0.259 1.00 0.00 C ATOM 386 OE1 GLU A 27 -2.903 5.737 1.316 1.00 0.00 O ATOM 387 OE2 GLU A 27 -4.052 4.457 -0.059 1.00 0.00 O ATOM 0 H GLU A 27 1.318 2.479 0.275 1.00 0.00 H new ATOM 0 HA GLU A 27 0.032 3.514 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.473 2.882 -0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.569 3.943 0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.212 5.908 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.108 4.851 -1.708 1.00 0.00 H new ATOM 394 N PHE A 28 1.349 5.595 -2.218 1.00 0.00 N ATOM 395 CA PHE A 28 2.106 6.834 -2.356 1.00 0.00 C ATOM 396 C PHE A 28 1.116 8.001 -2.462 1.00 0.00 C ATOM 397 O PHE A 28 0.212 7.987 -3.306 1.00 0.00 O ATOM 398 CB PHE A 28 3.047 6.732 -3.563 1.00 0.00 C ATOM 399 CG PHE A 28 4.070 5.616 -3.445 1.00 0.00 C ATOM 400 CD1 PHE A 28 3.714 4.288 -3.750 1.00 0.00 C ATOM 401 CD2 PHE A 28 5.373 5.897 -2.984 1.00 0.00 C ATOM 402 CE1 PHE A 28 4.639 3.244 -3.556 1.00 0.00 C ATOM 403 CE2 PHE A 28 6.299 4.855 -2.801 1.00 0.00 C ATOM 404 CZ PHE A 28 5.927 3.528 -3.076 1.00 0.00 C ATOM 0 H PHE A 28 0.904 5.305 -3.088 1.00 0.00 H new ATOM 0 HA PHE A 28 2.736 7.012 -1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.453 6.575 -4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.569 7.681 -3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.728 4.070 -4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.660 6.916 -2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.357 2.225 -3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.296 5.074 -2.449 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.633 2.726 -2.918 1.00 0.00 H new ATOM 414 N PHE A 29 1.254 8.983 -1.566 1.00 0.00 N ATOM 415 CA PHE A 29 0.283 10.065 -1.357 1.00 0.00 C ATOM 416 C PHE A 29 0.962 11.383 -0.928 1.00 0.00 C ATOM 417 O PHE A 29 2.163 11.554 -1.121 1.00 0.00 O ATOM 418 CB PHE A 29 -0.763 9.549 -0.339 1.00 0.00 C ATOM 419 CG PHE A 29 -2.203 10.031 -0.446 1.00 0.00 C ATOM 420 CD1 PHE A 29 -2.614 11.083 -1.294 1.00 0.00 C ATOM 421 CD2 PHE A 29 -3.177 9.359 0.323 1.00 0.00 C ATOM 422 CE1 PHE A 29 -3.971 11.456 -1.352 1.00 0.00 C ATOM 423 CE2 PHE A 29 -4.531 9.730 0.259 1.00 0.00 C ATOM 424 CZ PHE A 29 -4.931 10.782 -0.579 1.00 0.00 C ATOM 0 H PHE A 29 2.064 9.050 -0.950 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.218 10.319 -2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.775 8.461 -0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.405 9.805 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.886 11.603 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.878 8.548 0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.276 12.267 -1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.263 9.206 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.970 11.072 -0.629 1.00 0.00 H new ATOM 434 N ALA A 30 0.209 12.336 -0.373 1.00 0.00 N ATOM 435 CA ALA A 30 0.707 13.553 0.279 1.00 0.00 C ATOM 436 C ALA A 30 -0.304 14.009 1.360 1.00 0.00 C ATOM 437 O ALA A 30 -1.515 13.880 1.141 1.00 0.00 O ATOM 438 CB ALA A 30 0.888 14.644 -0.780 1.00 0.00 C ATOM 0 H ALA A 30 -0.809 12.279 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 30 1.666 13.358 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.258 15.553 -0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.605 14.308 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.069 14.848 -1.259 1.00 0.00 H new ATOM 444 N PRO A 31 0.136 14.574 2.501 1.00 0.00 N ATOM 445 CA PRO A 31 -0.743 14.885 3.629 1.00 0.00 C ATOM 446 C PRO A 31 -1.696 16.071 3.370 1.00 0.00 C ATOM 447 O PRO A 31 -2.760 16.162 3.989 1.00 0.00 O ATOM 448 CB PRO A 31 0.201 15.177 4.805 1.00 0.00 C ATOM 449 CG PRO A 31 1.469 15.696 4.125 1.00 0.00 C ATOM 450 CD PRO A 31 1.520 14.880 2.833 1.00 0.00 C ATOM 0 HA PRO A 31 -1.414 14.048 3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.222 15.917 5.485 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.399 14.281 5.393 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.412 16.766 3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.354 15.534 4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.998 15.445 2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.100 13.967 2.970 1.00 0.00 H new ATOM 458 N TRP A 32 -1.335 16.970 2.447 1.00 0.00 N ATOM 459 CA TRP A 32 -2.050 18.227 2.169 1.00 0.00 C ATOM 460 C TRP A 32 -3.294 18.062 1.273 1.00 0.00 C ATOM 461 O TRP A 32 -3.995 19.044 1.013 1.00 0.00 O ATOM 462 CB TRP A 32 -1.061 19.232 1.556 1.00 0.00 C ATOM 463 CG TRP A 32 0.224 19.420 2.319 1.00 0.00 C ATOM 464 CD1 TRP A 32 1.465 19.339 1.791 1.00 0.00 C ATOM 465 CD2 TRP A 32 0.419 19.714 3.742 1.00 0.00 C ATOM 466 NE1 TRP A 32 2.411 19.546 2.780 1.00 0.00 N ATOM 467 CE2 TRP A 32 1.824 19.774 4.003 1.00 0.00 C ATOM 468 CE3 TRP A 32 -0.441 19.940 4.843 1.00 0.00 C ATOM 469 CZ2 TRP A 32 2.349 20.014 5.285 1.00 0.00 C ATOM 470 CZ3 TRP A 32 0.072 20.181 6.129 1.00 0.00 C ATOM 471 CH2 TRP A 32 1.461 20.212 6.355 1.00 0.00 C ATOM 0 H TRP A 32 -0.515 16.842 1.855 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.437 18.596 3.119 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.819 18.907 0.544 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.558 20.198 1.470 1.00 0.00 H new ATOM 0 HD1 TRP A 32 1.686 19.142 0.752 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.419 19.531 2.622 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.510 19.927 4.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.417 20.046 5.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.607 20.344 6.953 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.843 20.388 7.350 1.00 0.00 H new ATOM 482 N CYS A 33 -3.591 16.849 0.796 1.00 0.00 N ATOM 483 CA CYS A 33 -4.727 16.580 -0.102 1.00 0.00 C ATOM 484 C CYS A 33 -6.108 16.808 0.552 1.00 0.00 C ATOM 485 O CYS A 33 -7.102 16.989 -0.151 1.00 0.00 O ATOM 486 CB CYS A 33 -4.615 15.142 -0.634 1.00 0.00 C ATOM 487 SG CYS A 33 -3.055 14.910 -1.531 1.00 0.00 S ATOM 0 H CYS A 33 -3.047 16.016 1.022 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.668 17.299 -0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.672 14.437 0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.455 14.927 -1.294 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.144 14.474 -0.712 1.00 0.00 H new ATOM 493 N GLY A 34 -6.181 16.782 1.887 1.00 0.00 N ATOM 494 CA GLY A 34 -7.404 16.983 2.685 1.00 0.00 C ATOM 495 C GLY A 34 -8.321 15.754 2.721 1.00 0.00 C ATOM 496 O GLY A 34 -8.628 15.233 3.795 1.00 0.00 O ATOM 0 H GLY A 34 -5.360 16.614 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.123 17.247 3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.959 17.828 2.278 1.00 0.00 H new ATOM 500 N HIS A 35 -8.673 15.212 1.552 1.00 0.00 N ATOM 501 CA HIS A 35 -9.398 13.940 1.409 1.00 0.00 C ATOM 502 C HIS A 35 -8.556 12.699 1.777 1.00 0.00 C ATOM 503 O HIS A 35 -9.092 11.595 1.847 1.00 0.00 O ATOM 504 CB HIS A 35 -9.991 13.832 -0.007 1.00 0.00 C ATOM 505 CG HIS A 35 -8.975 13.673 -1.113 1.00 0.00 C ATOM 506 ND1 HIS A 35 -8.394 12.495 -1.533 1.00 0.00 N ATOM 507 CD2 HIS A 35 -8.500 14.667 -1.929 1.00 0.00 C ATOM 508 CE1 HIS A 35 -7.593 12.771 -2.576 1.00 0.00 C ATOM 509 NE2 HIS A 35 -7.618 14.087 -2.853 1.00 0.00 N ATOM 0 H HIS A 35 -8.459 15.652 0.657 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.210 13.951 2.136 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.673 12.982 -0.035 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.585 14.724 -0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.759 15.714 -1.871 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.011 12.039 -3.116 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.099 14.567 -3.588 1.00 0.00 H new ATOM 517 N CYS A 36 -7.260 12.862 2.085 1.00 0.00 N ATOM 518 CA CYS A 36 -6.416 11.802 2.654 1.00 0.00 C ATOM 519 C CYS A 36 -7.013 11.231 3.953 1.00 0.00 C ATOM 520 O CYS A 36 -6.995 10.018 4.170 1.00 0.00 O ATOM 521 CB CYS A 36 -5.007 12.385 2.875 1.00 0.00 C ATOM 522 SG CYS A 36 -3.827 11.103 3.402 1.00 0.00 S ATOM 0 H CYS A 36 -6.764 13.742 1.944 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.361 10.962 1.962 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.655 12.847 1.953 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.052 13.171 3.629 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.573 10.310 2.404 1.00 0.00 H new ATOM 528 N LYS A 37 -7.662 12.082 4.764 1.00 0.00 N ATOM 529 CA LYS A 37 -8.353 11.705 6.010 1.00 0.00 C ATOM 530 C LYS A 37 -9.570 10.782 5.815 1.00 0.00 C ATOM 531 O LYS A 37 -9.998 10.145 6.780 1.00 0.00 O ATOM 532 CB LYS A 37 -8.755 12.980 6.779 1.00 0.00 C ATOM 533 CG LYS A 37 -7.607 13.973 7.055 1.00 0.00 C ATOM 534 CD LYS A 37 -6.386 13.330 7.728 1.00 0.00 C ATOM 535 CE LYS A 37 -5.373 14.399 8.150 1.00 0.00 C ATOM 536 NZ LYS A 37 -4.202 13.799 8.849 1.00 0.00 N ATOM 0 H LYS A 37 -7.723 13.081 4.566 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.642 11.115 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.531 13.496 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.196 12.686 7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.296 14.426 6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.979 14.778 7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.704 12.759 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.915 12.627 7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.032 14.945 7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.858 15.122 8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.537 14.551 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.525 13.299 9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.725 13.128 8.214 1.00 0.00 H new ATOM 550 N ARG A 38 -10.109 10.679 4.588 1.00 0.00 N ATOM 551 CA ARG A 38 -11.191 9.743 4.210 1.00 0.00 C ATOM 552 C ARG A 38 -10.672 8.347 3.845 1.00 0.00 C ATOM 553 O ARG A 38 -11.427 7.382 3.933 1.00 0.00 O ATOM 554 CB ARG A 38 -12.005 10.303 3.030 1.00 0.00 C ATOM 555 CG ARG A 38 -12.657 11.664 3.317 1.00 0.00 C ATOM 556 CD ARG A 38 -13.484 12.129 2.114 1.00 0.00 C ATOM 557 NE ARG A 38 -14.105 13.450 2.356 1.00 0.00 N ATOM 558 CZ ARG A 38 -14.928 14.084 1.535 1.00 0.00 C ATOM 559 NH1 ARG A 38 -15.284 13.599 0.380 1.00 0.00 N ATOM 560 NH2 ARG A 38 -15.422 15.242 1.870 1.00 0.00 N ATOM 0 H ARG A 38 -9.798 11.258 3.808 1.00 0.00 H new ATOM 0 HA ARG A 38 -11.826 9.642 5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.351 10.399 2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.783 9.587 2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.295 11.589 4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.887 12.402 3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.846 12.183 1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.261 11.395 1.901 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.878 13.915 3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.926 12.694 0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.921 14.124 -0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.175 15.662 2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.056 15.729 1.236 1.00 0.00 H new ATOM 574 N LEU A 39 -9.395 8.234 3.463 1.00 0.00 N ATOM 575 CA LEU A 39 -8.768 6.995 2.973 1.00 0.00 C ATOM 576 C LEU A 39 -7.778 6.370 3.976 1.00 0.00 C ATOM 577 O LEU A 39 -7.672 5.150 4.043 1.00 0.00 O ATOM 578 CB LEU A 39 -8.089 7.304 1.627 1.00 0.00 C ATOM 579 CG LEU A 39 -7.538 6.071 0.887 1.00 0.00 C ATOM 580 CD1 LEU A 39 -8.651 5.112 0.452 1.00 0.00 C ATOM 581 CD2 LEU A 39 -6.800 6.524 -0.375 1.00 0.00 C ATOM 0 H LEU A 39 -8.748 9.023 3.486 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.546 6.242 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.807 7.808 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.271 8.003 1.800 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.875 5.552 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.214 4.258 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.195 4.764 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.337 5.630 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.409 5.653 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.489 7.062 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.975 7.181 -0.098 1.00 0.00 H new ATOM 593 N ALA A 40 -7.121 7.176 4.817 1.00 0.00 N ATOM 594 CA ALA A 40 -6.317 6.700 5.942 1.00 0.00 C ATOM 595 C ALA A 40 -7.038 5.676 6.862 1.00 0.00 C ATOM 596 O ALA A 40 -6.439 4.629 7.138 1.00 0.00 O ATOM 597 CB ALA A 40 -5.792 7.917 6.710 1.00 0.00 C ATOM 0 H ALA A 40 -7.135 8.192 4.732 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.482 6.127 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.189 7.582 7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.180 8.529 6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.633 8.507 7.076 1.00 0.00 H new ATOM 603 N PRO A 41 -8.310 5.880 7.294 1.00 0.00 N ATOM 604 CA PRO A 41 -9.033 4.902 8.117 1.00 0.00 C ATOM 605 C PRO A 41 -9.469 3.652 7.332 1.00 0.00 C ATOM 606 O PRO A 41 -9.719 2.609 7.934 1.00 0.00 O ATOM 607 CB PRO A 41 -10.242 5.646 8.691 1.00 0.00 C ATOM 608 CG PRO A 41 -10.527 6.712 7.641 1.00 0.00 C ATOM 609 CD PRO A 41 -9.133 7.077 7.145 1.00 0.00 C ATOM 0 HA PRO A 41 -8.379 4.519 8.901 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.094 4.981 8.831 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.019 6.087 9.662 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.156 6.330 6.837 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.043 7.572 8.067 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.164 7.399 6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.721 7.905 7.722 1.00 0.00 H new ATOM 617 N GLU A 42 -9.553 3.729 5.995 1.00 0.00 N ATOM 618 CA GLU A 42 -9.863 2.568 5.141 1.00 0.00 C ATOM 619 C GLU A 42 -8.626 1.677 4.952 1.00 0.00 C ATOM 620 O GLU A 42 -8.698 0.453 5.073 1.00 0.00 O ATOM 621 CB GLU A 42 -10.343 3.054 3.765 1.00 0.00 C ATOM 622 CG GLU A 42 -11.734 3.702 3.782 1.00 0.00 C ATOM 623 CD GLU A 42 -12.835 2.657 4.053 1.00 0.00 C ATOM 624 OE1 GLU A 42 -13.024 1.766 3.190 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.493 2.714 5.116 1.00 0.00 O ATOM 0 H GLU A 42 -9.409 4.594 5.475 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.644 1.986 5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.623 3.773 3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.356 2.209 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.768 4.476 4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.921 4.191 2.826 1.00 0.00 H new ATOM 632 N TYR A 43 -7.468 2.278 4.683 1.00 0.00 N ATOM 633 CA TYR A 43 -6.249 1.520 4.382 1.00 0.00 C ATOM 634 C TYR A 43 -5.694 0.785 5.624 1.00 0.00 C ATOM 635 O TYR A 43 -5.208 -0.340 5.511 1.00 0.00 O ATOM 636 CB TYR A 43 -5.234 2.490 3.755 1.00 0.00 C ATOM 637 CG TYR A 43 -4.059 1.832 3.060 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.253 1.055 1.899 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.754 2.059 3.534 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.147 0.518 1.212 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.653 1.530 2.853 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.842 0.769 1.678 1.00 0.00 C ATOM 643 OH TYR A 43 -0.759 0.311 0.999 1.00 0.00 O ATOM 0 H TYR A 43 -7.346 3.291 4.667 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.471 0.724 3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.755 3.121 3.035 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.852 3.147 4.537 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.253 0.871 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.602 2.645 4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.299 -0.085 0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.655 1.704 3.227 1.00 0.00 H new ATOM 0 HH TYR A 43 0.044 0.776 1.312 1.00 0.00 H new ATOM 653 N GLU A 44 -5.841 1.349 6.834 1.00 0.00 N ATOM 654 CA GLU A 44 -5.528 0.631 8.078 1.00 0.00 C ATOM 655 C GLU A 44 -6.507 -0.500 8.410 1.00 0.00 C ATOM 656 O GLU A 44 -6.095 -1.533 8.948 1.00 0.00 O ATOM 657 CB GLU A 44 -5.381 1.603 9.256 1.00 0.00 C ATOM 658 CG GLU A 44 -6.689 2.177 9.820 1.00 0.00 C ATOM 659 CD GLU A 44 -6.416 3.045 11.060 1.00 0.00 C ATOM 660 OE1 GLU A 44 -6.104 2.477 12.136 1.00 0.00 O ATOM 661 OE2 GLU A 44 -6.509 4.293 10.976 1.00 0.00 O ATOM 0 H GLU A 44 -6.175 2.302 6.976 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.569 0.144 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.855 1.090 10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.749 2.433 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.189 2.773 9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.365 1.363 10.082 1.00 0.00 H new ATOM 668 N ALA A 45 -7.781 -0.349 8.048 1.00 0.00 N ATOM 669 CA ALA A 45 -8.758 -1.432 8.140 1.00 0.00 C ATOM 670 C ALA A 45 -8.376 -2.590 7.203 1.00 0.00 C ATOM 671 O ALA A 45 -8.400 -3.746 7.625 1.00 0.00 O ATOM 672 CB ALA A 45 -10.169 -0.889 7.876 1.00 0.00 C ATOM 0 H ALA A 45 -8.163 0.524 7.684 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.755 -1.841 9.150 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.891 -1.703 7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.409 -0.125 8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.210 -0.453 6.878 1.00 0.00 H new ATOM 678 N ALA A 46 -7.922 -2.312 5.975 1.00 0.00 N ATOM 679 CA ALA A 46 -7.380 -3.344 5.079 1.00 0.00 C ATOM 680 C ALA A 46 -6.129 -4.040 5.656 1.00 0.00 C ATOM 681 O ALA A 46 -6.047 -5.266 5.627 1.00 0.00 O ATOM 682 CB ALA A 46 -7.074 -2.723 3.715 1.00 0.00 C ATOM 0 H ALA A 46 -7.919 -1.373 5.576 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.138 -4.120 4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.672 -3.487 3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.990 -2.315 3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.342 -1.924 3.835 1.00 0.00 H new ATOM 688 N ALA A 47 -5.195 -3.282 6.236 1.00 0.00 N ATOM 689 CA ALA A 47 -3.991 -3.822 6.872 1.00 0.00 C ATOM 690 C ALA A 47 -4.324 -4.698 8.092 1.00 0.00 C ATOM 691 O ALA A 47 -3.638 -5.689 8.355 1.00 0.00 O ATOM 692 CB ALA A 47 -3.068 -2.661 7.257 1.00 0.00 C ATOM 0 H ALA A 47 -5.254 -2.265 6.278 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.482 -4.472 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.168 -3.053 7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.792 -2.103 6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.586 -2.000 7.952 1.00 0.00 H new ATOM 698 N THR A 48 -5.397 -4.368 8.815 1.00 0.00 N ATOM 699 CA THR A 48 -5.943 -5.168 9.927 1.00 0.00 C ATOM 700 C THR A 48 -6.632 -6.446 9.418 1.00 0.00 C ATOM 701 O THR A 48 -6.428 -7.528 9.975 1.00 0.00 O ATOM 702 CB THR A 48 -6.923 -4.326 10.769 1.00 0.00 C ATOM 703 OG1 THR A 48 -6.318 -3.120 11.189 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.379 -5.042 12.043 1.00 0.00 C ATOM 0 H THR A 48 -5.928 -3.515 8.643 1.00 0.00 H new ATOM 0 HA THR A 48 -5.107 -5.470 10.558 1.00 0.00 H new ATOM 0 HB THR A 48 -7.778 -4.147 10.117 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.303 -2.485 10.443 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.067 -4.401 12.594 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.883 -5.971 11.778 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.512 -5.264 12.666 1.00 0.00 H new ATOM 712 N ARG A 49 -7.427 -6.347 8.336 1.00 0.00 N ATOM 713 CA ARG A 49 -8.200 -7.466 7.751 1.00 0.00 C ATOM 714 C ARG A 49 -7.346 -8.480 6.986 1.00 0.00 C ATOM 715 O ARG A 49 -7.720 -9.645 6.892 1.00 0.00 O ATOM 716 CB ARG A 49 -9.288 -6.893 6.829 1.00 0.00 C ATOM 717 CG ARG A 49 -10.402 -6.192 7.626 1.00 0.00 C ATOM 718 CD ARG A 49 -11.253 -5.325 6.700 1.00 0.00 C ATOM 719 NE ARG A 49 -12.301 -4.606 7.448 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.277 -3.871 6.936 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.433 -3.719 5.652 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.120 -3.267 7.726 1.00 0.00 N ATOM 0 H ARG A 49 -7.555 -5.470 7.831 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.639 -8.016 8.583 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.838 -6.185 6.133 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.719 -7.697 6.232 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.030 -6.935 8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.964 -5.576 8.411 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.615 -4.608 6.183 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.714 -5.950 5.935 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.271 -4.683 8.465 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.791 -4.174 5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.197 -3.145 5.296 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.028 -3.361 8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.872 -2.701 7.333 1.00 0.00 H new ATOM 736 N LEU A 50 -6.186 -8.044 6.483 1.00 0.00 N ATOM 737 CA LEU A 50 -5.214 -8.847 5.718 1.00 0.00 C ATOM 738 C LEU A 50 -3.906 -9.092 6.499 1.00 0.00 C ATOM 739 O LEU A 50 -2.890 -9.459 5.905 1.00 0.00 O ATOM 740 CB LEU A 50 -4.942 -8.160 4.359 1.00 0.00 C ATOM 741 CG LEU A 50 -6.176 -7.933 3.466 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.741 -7.303 2.143 1.00 0.00 C ATOM 743 CD2 LEU A 50 -6.927 -9.226 3.141 1.00 0.00 C ATOM 0 H LEU A 50 -5.881 -7.078 6.601 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.647 -9.832 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.471 -7.195 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.222 -8.763 3.806 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.845 -7.280 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.615 -7.143 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.254 -6.348 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.044 -7.969 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.786 -8.999 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.261 -9.911 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.270 -9.690 4.066 1.00 0.00 H new ATOM 755 N LYS A 51 -3.912 -8.885 7.822 1.00 0.00 N ATOM 756 CA LYS A 51 -2.748 -9.057 8.718 1.00 0.00 C ATOM 757 C LYS A 51 -2.182 -10.484 8.652 1.00 0.00 C ATOM 758 O LYS A 51 -2.875 -11.461 8.957 1.00 0.00 O ATOM 759 CB LYS A 51 -3.169 -8.661 10.139 1.00 0.00 C ATOM 760 CG LYS A 51 -1.973 -8.507 11.093 1.00 0.00 C ATOM 761 CD LYS A 51 -2.432 -7.867 12.408 1.00 0.00 C ATOM 762 CE LYS A 51 -1.255 -7.630 13.361 1.00 0.00 C ATOM 763 NZ LYS A 51 -1.651 -6.748 14.489 1.00 0.00 N ATOM 0 H LYS A 51 -4.750 -8.584 8.319 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.936 -8.407 8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.721 -7.722 10.101 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.849 -9.415 10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.526 -9.481 11.290 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.203 -7.891 10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.928 -6.919 12.198 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.167 -8.512 12.890 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.899 -8.584 13.749 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.426 -7.179 12.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.836 -6.603 15.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.968 -5.830 14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.426 -7.192 15.021 1.00 0.00 H new ATOM 777 N GLY A 52 -0.930 -10.615 8.196 1.00 0.00 N ATOM 778 CA GLY A 52 -0.266 -11.906 7.938 1.00 0.00 C ATOM 779 C GLY A 52 -0.561 -12.522 6.561 1.00 0.00 C ATOM 780 O GLY A 52 -0.023 -13.588 6.253 1.00 0.00 O ATOM 0 H GLY A 52 -0.335 -9.812 7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.811 -11.770 8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.569 -12.614 8.709 1.00 0.00 H new ATOM 784 N ILE A 53 -1.375 -11.862 5.725 1.00 0.00 N ATOM 785 CA ILE A 53 -1.814 -12.329 4.397 1.00 0.00 C ATOM 786 C ILE A 53 -1.288 -11.395 3.293 1.00 0.00 C ATOM 787 O ILE A 53 -0.768 -11.872 2.284 1.00 0.00 O ATOM 788 CB ILE A 53 -3.364 -12.430 4.334 1.00 0.00 C ATOM 789 CG1 ILE A 53 -4.007 -13.172 5.535 1.00 0.00 C ATOM 790 CG2 ILE A 53 -3.822 -13.073 3.015 1.00 0.00 C ATOM 791 CD1 ILE A 53 -3.576 -14.631 5.710 1.00 0.00 C ATOM 0 H ILE A 53 -1.763 -10.949 5.963 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.400 -13.324 4.232 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.717 -11.400 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.767 -12.627 6.448 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.091 -13.142 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.910 -13.131 2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.477 -12.468 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.403 -14.076 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.081 -15.058 6.576 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.842 -15.198 4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.497 -14.676 5.861 1.00 0.00 H new ATOM 803 N VAL A 54 -1.353 -10.075 3.513 1.00 0.00 N ATOM 804 CA VAL A 54 -0.752 -9.028 2.664 1.00 0.00 C ATOM 805 C VAL A 54 -0.256 -7.876 3.560 1.00 0.00 C ATOM 806 O VAL A 54 -1.087 -7.188 4.166 1.00 0.00 O ATOM 807 CB VAL A 54 -1.749 -8.447 1.629 1.00 0.00 C ATOM 808 CG1 VAL A 54 -1.016 -7.543 0.631 1.00 0.00 C ATOM 809 CG2 VAL A 54 -2.473 -9.513 0.803 1.00 0.00 C ATOM 0 H VAL A 54 -1.845 -9.688 4.319 1.00 0.00 H new ATOM 0 HA VAL A 54 0.067 -9.492 2.114 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.483 -7.901 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.729 -7.143 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.540 -6.721 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.256 -8.122 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.153 -9.030 0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.742 -10.104 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.040 -10.165 1.467 1.00 0.00 H new ATOM 819 N PRO A 55 1.062 -7.627 3.680 1.00 0.00 N ATOM 820 CA PRO A 55 1.568 -6.429 4.345 1.00 0.00 C ATOM 821 C PRO A 55 1.255 -5.184 3.503 1.00 0.00 C ATOM 822 O PRO A 55 1.372 -5.201 2.271 1.00 0.00 O ATOM 823 CB PRO A 55 3.074 -6.662 4.520 1.00 0.00 C ATOM 824 CG PRO A 55 3.429 -7.615 3.377 1.00 0.00 C ATOM 825 CD PRO A 55 2.158 -8.446 3.185 1.00 0.00 C ATOM 0 HA PRO A 55 1.099 -6.254 5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.634 -5.729 4.452 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.301 -7.100 5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.692 -7.071 2.470 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.283 -8.243 3.631 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.012 -8.698 2.135 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.220 -9.386 3.733 1.00 0.00 H new ATOM 833 N LEU A 56 0.881 -4.092 4.175 1.00 0.00 N ATOM 834 CA LEU A 56 0.518 -2.804 3.579 1.00 0.00 C ATOM 835 C LEU A 56 1.455 -1.703 4.099 1.00 0.00 C ATOM 836 O LEU A 56 1.779 -1.690 5.291 1.00 0.00 O ATOM 837 CB LEU A 56 -0.951 -2.463 3.918 1.00 0.00 C ATOM 838 CG LEU A 56 -1.968 -2.808 2.815 1.00 0.00 C ATOM 839 CD1 LEU A 56 -2.118 -4.308 2.564 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.353 -2.280 3.198 1.00 0.00 C ATOM 0 H LEU A 56 0.820 -4.081 5.193 1.00 0.00 H new ATOM 0 HA LEU A 56 0.622 -2.869 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.231 -2.993 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.020 -1.397 4.135 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.581 -2.342 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.851 -4.473 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.157 -4.724 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.453 -4.798 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.067 -2.528 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.671 -2.738 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.309 -1.198 3.320 1.00 0.00 H new ATOM 852 N ALA A 57 1.829 -0.744 3.247 1.00 0.00 N ATOM 853 CA ALA A 57 2.650 0.397 3.641 1.00 0.00 C ATOM 854 C ALA A 57 2.146 1.707 3.026 1.00 0.00 C ATOM 855 O ALA A 57 1.416 1.685 2.034 1.00 0.00 O ATOM 856 CB ALA A 57 4.109 0.137 3.241 1.00 0.00 C ATOM 0 H ALA A 57 1.568 -0.740 2.261 1.00 0.00 H new ATOM 0 HA ALA A 57 2.581 0.509 4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.724 0.988 3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.469 -0.761 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.171 -0.001 2.162 1.00 0.00 H new ATOM 862 N LYS A 58 2.574 2.842 3.583 1.00 0.00 N ATOM 863 CA LYS A 58 2.290 4.185 3.062 1.00 0.00 C ATOM 864 C LYS A 58 3.538 5.068 3.056 1.00 0.00 C ATOM 865 O LYS A 58 4.388 4.960 3.939 1.00 0.00 O ATOM 866 CB LYS A 58 1.115 4.832 3.816 1.00 0.00 C ATOM 867 CG LYS A 58 1.437 5.245 5.266 1.00 0.00 C ATOM 868 CD LYS A 58 0.188 5.803 5.968 1.00 0.00 C ATOM 869 CE LYS A 58 0.487 6.284 7.398 1.00 0.00 C ATOM 870 NZ LYS A 58 1.229 7.578 7.421 1.00 0.00 N ATOM 0 H LYS A 58 3.142 2.855 4.430 1.00 0.00 H new ATOM 0 HA LYS A 58 1.985 4.082 2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.787 5.713 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.278 4.134 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.815 4.385 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.226 5.997 5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.214 6.632 5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.583 5.033 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.450 6.396 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.070 5.525 7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.406 7.859 8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.136 7.467 6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.663 8.311 6.948 1.00 0.00 H new ATOM 884 N VAL A 59 3.618 5.938 2.050 1.00 0.00 N ATOM 885 CA VAL A 59 4.733 6.848 1.756 1.00 0.00 C ATOM 886 C VAL A 59 4.149 8.181 1.272 1.00 0.00 C ATOM 887 O VAL A 59 3.129 8.202 0.578 1.00 0.00 O ATOM 888 CB VAL A 59 5.646 6.247 0.661 1.00 0.00 C ATOM 889 CG1 VAL A 59 6.853 7.150 0.350 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.211 4.873 1.051 1.00 0.00 C ATOM 0 H VAL A 59 2.860 6.035 1.374 1.00 0.00 H new ATOM 0 HA VAL A 59 5.332 6.999 2.654 1.00 0.00 H new ATOM 0 HB VAL A 59 5.000 6.154 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.464 6.686 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.501 8.121 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.450 7.283 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.844 4.498 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.801 4.968 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.390 4.177 1.221 1.00 0.00 H new ATOM 900 N ASP A 60 4.790 9.303 1.605 1.00 0.00 N ATOM 901 CA ASP A 60 4.344 10.635 1.188 1.00 0.00 C ATOM 902 C ASP A 60 5.366 11.276 0.248 1.00 0.00 C ATOM 903 O ASP A 60 6.522 11.466 0.624 1.00 0.00 O ATOM 904 CB ASP A 60 4.079 11.507 2.421 1.00 0.00 C ATOM 905 CG ASP A 60 2.873 10.994 3.232 1.00 0.00 C ATOM 906 OD1 ASP A 60 1.718 11.185 2.782 1.00 0.00 O ATOM 907 OD2 ASP A 60 3.079 10.422 4.329 1.00 0.00 O ATOM 0 H ASP A 60 5.637 9.314 2.174 1.00 0.00 H new ATOM 0 HA ASP A 60 3.410 10.543 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.965 11.520 3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.896 12.535 2.108 1.00 0.00 H new ATOM 912 N CYS A 61 4.964 11.636 -0.978 1.00 0.00 N ATOM 913 CA CYS A 61 5.819 12.279 -1.979 1.00 0.00 C ATOM 914 C CYS A 61 6.331 13.677 -1.573 1.00 0.00 C ATOM 915 O CYS A 61 7.330 14.145 -2.120 1.00 0.00 O ATOM 916 CB CYS A 61 5.057 12.351 -3.303 1.00 0.00 C ATOM 917 SG CYS A 61 4.512 10.746 -3.962 1.00 0.00 S ATOM 0 H CYS A 61 4.011 11.483 -1.307 1.00 0.00 H new ATOM 0 HA CYS A 61 6.715 11.665 -2.075 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.183 12.988 -3.168 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.692 12.835 -4.045 1.00 0.00 H new ATOM 922 N THR A 62 5.694 14.337 -0.603 1.00 0.00 N ATOM 923 CA THR A 62 6.222 15.564 0.025 1.00 0.00 C ATOM 924 C THR A 62 7.441 15.289 0.908 1.00 0.00 C ATOM 925 O THR A 62 8.326 16.140 1.018 1.00 0.00 O ATOM 926 CB THR A 62 5.156 16.236 0.904 1.00 0.00 C ATOM 927 OG1 THR A 62 4.613 15.297 1.802 1.00 0.00 O ATOM 928 CG2 THR A 62 4.003 16.792 0.078 1.00 0.00 C ATOM 0 H THR A 62 4.794 14.040 -0.225 1.00 0.00 H new ATOM 0 HA THR A 62 6.512 16.217 -0.798 1.00 0.00 H new ATOM 0 HB THR A 62 5.651 17.052 1.430 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.191 15.767 2.551 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.273 17.258 0.740 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.383 17.535 -0.623 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.527 15.982 -0.474 1.00 0.00 H new ATOM 936 N ALA A 63 7.509 14.093 1.504 1.00 0.00 N ATOM 937 CA ALA A 63 8.628 13.618 2.331 1.00 0.00 C ATOM 938 C ALA A 63 9.663 12.783 1.543 1.00 0.00 C ATOM 939 O ALA A 63 10.838 12.745 1.920 1.00 0.00 O ATOM 940 CB ALA A 63 8.048 12.813 3.494 1.00 0.00 C ATOM 0 H ALA A 63 6.761 13.404 1.422 1.00 0.00 H new ATOM 0 HA ALA A 63 9.178 14.486 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.859 12.448 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.388 13.449 4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.483 11.966 3.104 1.00 0.00 H new ATOM 946 N ASN A 64 9.245 12.137 0.447 1.00 0.00 N ATOM 947 CA ASN A 64 10.058 11.234 -0.381 1.00 0.00 C ATOM 948 C ASN A 64 9.836 11.452 -1.887 1.00 0.00 C ATOM 949 O ASN A 64 9.381 10.595 -2.645 1.00 0.00 O ATOM 950 CB ASN A 64 9.817 9.779 -0.013 1.00 0.00 C ATOM 951 CG ASN A 64 10.202 9.413 1.408 1.00 0.00 C ATOM 952 OD1 ASN A 64 11.318 9.001 1.688 1.00 0.00 O ATOM 953 ND2 ASN A 64 9.294 9.525 2.344 1.00 0.00 N ATOM 0 H ASN A 64 8.291 12.233 0.098 1.00 0.00 H new ATOM 0 HA ASN A 64 11.099 11.479 -0.169 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.761 9.551 -0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.378 9.147 -0.701 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.518 9.269 3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.362 9.869 2.112 1.00 0.00 H new ATOM 960 N THR A 65 10.170 12.655 -2.311 1.00 0.00 N ATOM 961 CA THR A 65 9.946 13.168 -3.676 1.00 0.00 C ATOM 962 C THR A 65 10.791 12.421 -4.707 1.00 0.00 C ATOM 963 O THR A 65 10.286 12.047 -5.762 1.00 0.00 O ATOM 964 CB THR A 65 10.240 14.681 -3.760 1.00 0.00 C ATOM 965 OG1 THR A 65 9.694 15.364 -2.648 1.00 0.00 O ATOM 966 CG2 THR A 65 9.645 15.318 -5.015 1.00 0.00 C ATOM 0 H THR A 65 10.622 13.338 -1.703 1.00 0.00 H new ATOM 0 HA THR A 65 8.894 12.999 -3.906 1.00 0.00 H new ATOM 0 HB THR A 65 11.326 14.772 -3.782 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.810 14.996 -2.440 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.879 16.383 -5.028 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.068 14.842 -5.900 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.563 15.184 -5.013 1.00 0.00 H new ATOM 974 N ASN A 66 12.048 12.126 -4.373 1.00 0.00 N ATOM 975 CA ASN A 66 12.963 11.371 -5.233 1.00 0.00 C ATOM 976 C ASN A 66 12.477 9.928 -5.451 1.00 0.00 C ATOM 977 O ASN A 66 12.476 9.449 -6.584 1.00 0.00 O ATOM 978 CB ASN A 66 14.372 11.418 -4.617 1.00 0.00 C ATOM 979 CG ASN A 66 14.986 12.814 -4.627 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.881 13.573 -5.587 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.652 13.206 -3.561 1.00 0.00 N ATOM 0 H ASN A 66 12.466 12.408 -3.486 1.00 0.00 H new ATOM 0 HA ASN A 66 12.992 11.830 -6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.325 11.056 -3.590 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.024 10.737 -5.165 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.076 14.133 -3.537 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.744 12.582 -2.759 1.00 0.00 H new ATOM 988 N THR A 67 11.979 9.266 -4.399 1.00 0.00 N ATOM 989 CA THR A 67 11.355 7.937 -4.507 1.00 0.00 C ATOM 990 C THR A 67 10.117 7.993 -5.400 1.00 0.00 C ATOM 991 O THR A 67 9.992 7.182 -6.313 1.00 0.00 O ATOM 992 CB THR A 67 10.972 7.379 -3.128 1.00 0.00 C ATOM 993 OG1 THR A 67 12.058 7.481 -2.228 1.00 0.00 O ATOM 994 CG2 THR A 67 10.571 5.905 -3.184 1.00 0.00 C ATOM 0 H THR A 67 11.996 9.635 -3.448 1.00 0.00 H new ATOM 0 HA THR A 67 12.092 7.270 -4.955 1.00 0.00 H new ATOM 0 HB THR A 67 10.123 7.974 -2.793 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.794 7.122 -1.355 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.310 5.561 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.712 5.787 -3.844 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.405 5.315 -3.565 1.00 0.00 H new ATOM 1002 N CYS A 68 9.243 8.989 -5.213 1.00 0.00 N ATOM 1003 CA CYS A 68 8.026 9.119 -6.011 1.00 0.00 C ATOM 1004 C CYS A 68 8.313 9.419 -7.494 1.00 0.00 C ATOM 1005 O CYS A 68 7.672 8.841 -8.369 1.00 0.00 O ATOM 1006 CB CYS A 68 7.128 10.194 -5.386 1.00 0.00 C ATOM 1007 SG CYS A 68 6.197 9.606 -3.949 1.00 0.00 S ATOM 0 H CYS A 68 9.361 9.719 -4.511 1.00 0.00 H new ATOM 0 HA CYS A 68 7.510 8.159 -6.000 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.743 11.043 -5.088 1.00 0.00 H new ATOM 0 HB3 CYS A 68 6.429 10.556 -6.140 1.00 0.00 H new ATOM 1012 N ASN A 69 9.309 10.260 -7.797 1.00 0.00 N ATOM 1013 CA ASN A 69 9.684 10.600 -9.180 1.00 0.00 C ATOM 1014 C ASN A 69 10.403 9.448 -9.897 1.00 0.00 C ATOM 1015 O ASN A 69 10.177 9.239 -11.090 1.00 0.00 O ATOM 1016 CB ASN A 69 10.530 11.885 -9.202 1.00 0.00 C ATOM 1017 CG ASN A 69 9.655 13.125 -9.103 1.00 0.00 C ATOM 1018 OD1 ASN A 69 9.565 13.936 -10.014 1.00 0.00 O ATOM 1019 ND2 ASN A 69 8.942 13.274 -8.011 1.00 0.00 N ATOM 0 H ASN A 69 9.880 10.726 -7.092 1.00 0.00 H new ATOM 0 HA ASN A 69 8.762 10.776 -9.733 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.239 11.870 -8.374 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.115 11.922 -10.121 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.309 14.069 -7.919 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.021 12.595 -7.254 1.00 0.00 H new ATOM 1026 N LYS A 70 11.203 8.655 -9.173 1.00 0.00 N ATOM 1027 CA LYS A 70 11.785 7.399 -9.665 1.00 0.00 C ATOM 1028 C LYS A 70 10.712 6.330 -9.930 1.00 0.00 C ATOM 1029 O LYS A 70 10.882 5.495 -10.818 1.00 0.00 O ATOM 1030 CB LYS A 70 12.849 6.925 -8.658 1.00 0.00 C ATOM 1031 CG LYS A 70 13.678 5.728 -9.155 1.00 0.00 C ATOM 1032 CD LYS A 70 14.804 5.392 -8.172 1.00 0.00 C ATOM 1033 CE LYS A 70 15.630 4.211 -8.701 1.00 0.00 C ATOM 1034 NZ LYS A 70 16.759 3.889 -7.791 1.00 0.00 N ATOM 0 H LYS A 70 11.469 8.872 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 70 12.261 7.574 -10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.521 7.754 -8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.357 6.653 -7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.030 4.860 -9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.101 5.956 -10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.446 6.261 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.384 5.145 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.989 3.337 -8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.016 4.450 -9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.298 3.087 -8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.383 4.716 -7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.388 3.638 -6.853 1.00 0.00 H new ATOM 1048 N TYR A 71 9.608 6.357 -9.179 1.00 0.00 N ATOM 1049 CA TYR A 71 8.548 5.327 -9.232 1.00 0.00 C ATOM 1050 C TYR A 71 7.406 5.691 -10.196 1.00 0.00 C ATOM 1051 O TYR A 71 6.546 4.860 -10.500 1.00 0.00 O ATOM 1052 CB TYR A 71 8.009 5.043 -7.815 1.00 0.00 C ATOM 1053 CG TYR A 71 8.887 4.197 -6.896 1.00 0.00 C ATOM 1054 CD1 TYR A 71 10.271 4.036 -7.117 1.00 0.00 C ATOM 1055 CD2 TYR A 71 8.290 3.546 -5.798 1.00 0.00 C ATOM 1056 CE1 TYR A 71 11.048 3.244 -6.249 1.00 0.00 C ATOM 1057 CE2 TYR A 71 9.059 2.748 -4.930 1.00 0.00 C ATOM 1058 CZ TYR A 71 10.444 2.596 -5.150 1.00 0.00 C ATOM 1059 OH TYR A 71 11.184 1.820 -4.311 1.00 0.00 O ATOM 0 H TYR A 71 9.416 7.100 -8.507 1.00 0.00 H new ATOM 0 HA TYR A 71 9.003 4.419 -9.629 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.827 5.999 -7.324 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.044 4.546 -7.913 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.739 4.524 -7.959 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.231 3.661 -5.620 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.108 3.132 -6.425 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.588 2.251 -4.095 1.00 0.00 H new ATOM 0 HH TYR A 71 10.715 1.723 -3.456 1.00 0.00 H new ATOM 1069 N GLY A 72 7.400 6.930 -10.687 1.00 0.00 N ATOM 1070 CA GLY A 72 6.400 7.455 -11.628 1.00 0.00 C ATOM 1071 C GLY A 72 5.115 7.943 -10.954 1.00 0.00 C ATOM 1072 O GLY A 72 4.074 8.031 -11.611 1.00 0.00 O ATOM 0 H GLY A 72 8.109 7.619 -10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.840 8.279 -12.190 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.149 6.677 -12.348 1.00 0.00 H new ATOM 1076 N VAL A 73 5.157 8.260 -9.652 1.00 0.00 N ATOM 1077 CA VAL A 73 4.048 8.843 -8.869 1.00 0.00 C ATOM 1078 C VAL A 73 3.929 10.353 -9.152 1.00 0.00 C ATOM 1079 O VAL A 73 4.067 11.202 -8.271 1.00 0.00 O ATOM 1080 CB VAL A 73 4.174 8.516 -7.366 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.873 8.830 -6.615 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.481 7.028 -7.116 1.00 0.00 C ATOM 0 H VAL A 73 5.995 8.113 -9.090 1.00 0.00 H new ATOM 0 HA VAL A 73 3.115 8.381 -9.191 1.00 0.00 H new ATOM 0 HB VAL A 73 4.995 9.135 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.995 8.589 -5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.639 9.889 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.060 8.235 -7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.560 6.848 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.678 6.417 -7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.422 6.765 -7.599 1.00 0.00 H new ATOM 1092 N SER A 74 3.702 10.695 -10.424 1.00 0.00 N ATOM 1093 CA SER A 74 3.415 12.059 -10.911 1.00 0.00 C ATOM 1094 C SER A 74 2.067 12.631 -10.414 1.00 0.00 C ATOM 1095 O SER A 74 1.773 13.808 -10.645 1.00 0.00 O ATOM 1096 CB SER A 74 3.429 12.075 -12.448 1.00 0.00 C ATOM 1097 OG SER A 74 4.667 11.575 -12.937 1.00 0.00 O ATOM 0 H SER A 74 3.712 10.006 -11.176 1.00 0.00 H new ATOM 0 HA SER A 74 4.199 12.697 -10.502 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.608 11.470 -12.832 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.272 13.091 -12.809 1.00 0.00 H new ATOM 0 HG SER A 74 4.661 11.589 -13.917 1.00 0.00 H new ATOM 1103 N GLY A 75 1.254 11.814 -9.737 1.00 0.00 N ATOM 1104 CA GLY A 75 0.019 12.163 -9.056 1.00 0.00 C ATOM 1105 C GLY A 75 -0.371 11.046 -8.079 1.00 0.00 C ATOM 1106 O GLY A 75 0.215 9.960 -8.070 1.00 0.00 O ATOM 0 H GLY A 75 1.464 10.820 -9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.143 13.102 -8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.778 12.316 -9.784 1.00 0.00 H new ATOM 1110 N TYR A 76 -1.351 11.341 -7.229 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.753 10.510 -6.086 1.00 0.00 C ATOM 1112 C TYR A 76 -3.230 10.721 -5.660 1.00 0.00 C ATOM 1113 O TYR A 76 -3.827 11.738 -6.035 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.783 10.762 -4.911 1.00 0.00 C ATOM 1115 CG TYR A 76 -0.184 12.151 -4.788 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -0.930 13.197 -4.210 1.00 0.00 C ATOM 1117 CD2 TYR A 76 1.134 12.383 -5.228 1.00 0.00 C ATOM 1118 CE1 TYR A 76 -0.365 14.485 -4.103 1.00 0.00 C ATOM 1119 CE2 TYR A 76 1.702 13.663 -5.111 1.00 0.00 C ATOM 1120 CZ TYR A 76 0.955 14.721 -4.550 1.00 0.00 C ATOM 1121 OH TYR A 76 1.510 15.959 -4.431 1.00 0.00 O ATOM 0 H TYR A 76 -1.908 12.191 -7.315 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.692 9.467 -6.397 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.311 10.539 -3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.036 10.047 -4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.931 13.013 -3.850 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.709 11.575 -5.656 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.942 15.293 -3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.712 13.838 -5.451 1.00 0.00 H new ATOM 0 HH TYR A 76 2.423 15.944 -4.787 1.00 0.00 H new ATOM 1131 N PRO A 77 -3.839 9.793 -4.877 1.00 0.00 N ATOM 1132 CA PRO A 77 -3.266 8.554 -4.323 1.00 0.00 C ATOM 1133 C PRO A 77 -2.930 7.508 -5.399 1.00 0.00 C ATOM 1134 O PRO A 77 -3.645 7.363 -6.391 1.00 0.00 O ATOM 1135 CB PRO A 77 -4.308 8.016 -3.338 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.624 8.564 -3.859 1.00 0.00 C ATOM 1137 CD PRO A 77 -5.230 9.915 -4.456 1.00 0.00 C ATOM 0 HA PRO A 77 -2.313 8.767 -3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.311 6.926 -3.315 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.109 8.355 -2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.065 7.906 -4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.358 8.675 -3.061 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.870 10.167 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.344 10.712 -3.721 1.00 0.00 H new ATOM 1145 N THR A 78 -1.832 6.781 -5.174 1.00 0.00 N ATOM 1146 CA THR A 78 -1.261 5.797 -6.114 1.00 0.00 C ATOM 1147 C THR A 78 -0.834 4.545 -5.350 1.00 0.00 C ATOM 1148 O THR A 78 0.104 4.592 -4.557 1.00 0.00 O ATOM 1149 CB THR A 78 -0.087 6.422 -6.888 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.622 7.340 -7.818 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.742 5.420 -7.695 1.00 0.00 C ATOM 0 H THR A 78 -1.296 6.859 -4.310 1.00 0.00 H new ATOM 0 HA THR A 78 -2.016 5.505 -6.844 1.00 0.00 H new ATOM 0 HB THR A 78 0.569 6.871 -6.142 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.182 8.209 -7.710 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.548 5.945 -8.209 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.166 4.674 -7.023 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.104 4.927 -8.429 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.533 3.426 -5.568 1.00 0.00 N ATOM 1160 CA LEU A 79 -1.227 2.141 -4.925 1.00 0.00 C ATOM 1161 C LEU A 79 -0.438 1.220 -5.880 1.00 0.00 C ATOM 1162 O LEU A 79 -0.836 0.996 -7.029 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.515 1.451 -4.443 1.00 0.00 C ATOM 1164 CG LEU A 79 -3.196 2.080 -3.209 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -4.247 3.126 -3.593 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -3.898 0.996 -2.386 1.00 0.00 C ATOM 0 H LEU A 79 -2.333 3.385 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.601 2.341 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.231 1.445 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.283 0.411 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.407 2.565 -2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.697 3.538 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.773 3.927 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.020 2.658 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.375 1.450 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.653 0.505 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.166 0.260 -2.054 1.00 0.00 H new ATOM 1178 N LYS A 80 0.677 0.657 -5.394 1.00 0.00 N ATOM 1179 CA LYS A 80 1.666 -0.136 -6.152 1.00 0.00 C ATOM 1180 C LYS A 80 1.975 -1.462 -5.451 1.00 0.00 C ATOM 1181 O LYS A 80 1.853 -1.566 -4.231 1.00 0.00 O ATOM 1182 CB LYS A 80 2.947 0.698 -6.326 1.00 0.00 C ATOM 1183 CG LYS A 80 2.822 1.756 -7.427 1.00 0.00 C ATOM 1184 CD LYS A 80 4.090 2.625 -7.446 1.00 0.00 C ATOM 1185 CE LYS A 80 4.179 3.517 -8.693 1.00 0.00 C ATOM 1186 NZ LYS A 80 4.486 2.726 -9.917 1.00 0.00 N ATOM 0 H LYS A 80 0.930 0.745 -4.410 1.00 0.00 H new ATOM 0 HA LYS A 80 1.250 -0.379 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.187 1.189 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.779 0.033 -6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.683 1.275 -8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.944 2.378 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.110 3.251 -6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.968 1.980 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.236 4.047 -8.829 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.951 4.273 -8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.064 3.299 -10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.010 1.867 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.599 2.458 -10.389 1.00 0.00 H new ATOM 1200 N ILE A 81 2.384 -2.467 -6.225 1.00 0.00 N ATOM 1201 CA ILE A 81 2.557 -3.866 -5.791 1.00 0.00 C ATOM 1202 C ILE A 81 4.004 -4.303 -6.028 1.00 0.00 C ATOM 1203 O ILE A 81 4.559 -4.099 -7.109 1.00 0.00 O ATOM 1204 CB ILE A 81 1.556 -4.771 -6.548 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.119 -4.442 -6.084 1.00 0.00 C ATOM 1206 CG2 ILE A 81 1.862 -6.267 -6.360 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.963 -5.186 -6.872 1.00 0.00 C ATOM 0 H ILE A 81 2.614 -2.331 -7.209 1.00 0.00 H new ATOM 0 HA ILE A 81 2.351 -3.955 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 81 1.654 -4.567 -7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.022 -4.689 -5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.048 -3.369 -6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.132 -6.860 -6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.862 -6.484 -6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.809 -6.519 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.946 -4.907 -6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.892 -4.921 -7.927 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.822 -6.261 -6.758 1.00 0.00 H new ATOM 1219 N PHE A 82 4.588 -4.948 -5.014 1.00 0.00 N ATOM 1220 CA PHE A 82 6.014 -5.276 -4.952 1.00 0.00 C ATOM 1221 C PHE A 82 6.242 -6.733 -4.532 1.00 0.00 C ATOM 1222 O PHE A 82 6.210 -7.067 -3.345 1.00 0.00 O ATOM 1223 CB PHE A 82 6.729 -4.318 -3.989 1.00 0.00 C ATOM 1224 CG PHE A 82 6.620 -2.843 -4.322 1.00 0.00 C ATOM 1225 CD1 PHE A 82 5.458 -2.121 -3.990 1.00 0.00 C ATOM 1226 CD2 PHE A 82 7.693 -2.183 -4.949 1.00 0.00 C ATOM 1227 CE1 PHE A 82 5.369 -0.755 -4.297 1.00 0.00 C ATOM 1228 CE2 PHE A 82 7.601 -0.815 -5.264 1.00 0.00 C ATOM 1229 CZ PHE A 82 6.435 -0.097 -4.933 1.00 0.00 C ATOM 0 H PHE A 82 4.069 -5.264 -4.194 1.00 0.00 H new ATOM 0 HA PHE A 82 6.432 -5.157 -5.952 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.329 -4.475 -2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.785 -4.587 -3.957 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.635 -2.619 -3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.593 -2.730 -5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.475 -0.205 -4.043 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.422 -0.317 -5.758 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.361 0.955 -5.167 1.00 0.00 H new ATOM 1239 N ARG A 83 6.461 -7.611 -5.514 1.00 0.00 N ATOM 1240 CA ARG A 83 6.787 -9.034 -5.308 1.00 0.00 C ATOM 1241 C ARG A 83 8.176 -9.179 -4.688 1.00 0.00 C ATOM 1242 O ARG A 83 9.154 -8.661 -5.225 1.00 0.00 O ATOM 1243 CB ARG A 83 6.695 -9.802 -6.637 1.00 0.00 C ATOM 1244 CG ARG A 83 6.887 -11.319 -6.454 1.00 0.00 C ATOM 1245 CD ARG A 83 6.766 -12.044 -7.799 1.00 0.00 C ATOM 1246 NE ARG A 83 7.104 -13.479 -7.682 1.00 0.00 N ATOM 1247 CZ ARG A 83 6.323 -14.466 -7.287 1.00 0.00 C ATOM 1248 NH1 ARG A 83 5.075 -14.288 -6.951 1.00 0.00 N ATOM 1249 NH2 ARG A 83 6.793 -15.682 -7.227 1.00 0.00 N ATOM 0 H ARG A 83 6.417 -7.351 -6.499 1.00 0.00 H new ATOM 0 HA ARG A 83 6.061 -9.462 -4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.724 -9.614 -7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.451 -9.423 -7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.865 -11.517 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.141 -11.704 -5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.749 -11.940 -8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.427 -11.573 -8.527 1.00 0.00 H new ATOM 0 HE ARG A 83 8.057 -13.737 -7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.665 -13.355 -6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.509 -15.082 -6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.762 -15.867 -7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.191 -16.447 -6.922 1.00 0.00 H new ATOM 1263 N ASP A 84 8.264 -9.879 -3.560 1.00 0.00 N ATOM 1264 CA ASP A 84 9.509 -10.138 -2.808 1.00 0.00 C ATOM 1265 C ASP A 84 10.370 -8.876 -2.525 1.00 0.00 C ATOM 1266 O ASP A 84 11.595 -8.950 -2.382 1.00 0.00 O ATOM 1267 CB ASP A 84 10.272 -11.273 -3.512 1.00 0.00 C ATOM 1268 CG ASP A 84 11.379 -11.905 -2.648 1.00 0.00 C ATOM 1269 OD1 ASP A 84 11.090 -12.341 -1.508 1.00 0.00 O ATOM 1270 OD2 ASP A 84 12.528 -12.038 -3.135 1.00 0.00 O ATOM 0 H ASP A 84 7.446 -10.301 -3.121 1.00 0.00 H new ATOM 0 HA ASP A 84 9.243 -10.459 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.564 -12.049 -3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.716 -10.886 -4.429 1.00 0.00 H new ATOM 1275 N GLY A 85 9.736 -7.692 -2.475 1.00 0.00 N ATOM 1276 CA GLY A 85 10.372 -6.403 -2.159 1.00 0.00 C ATOM 1277 C GLY A 85 10.795 -5.545 -3.363 1.00 0.00 C ATOM 1278 O GLY A 85 11.559 -4.600 -3.185 1.00 0.00 O ATOM 0 H GLY A 85 8.737 -7.604 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.682 -5.821 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.254 -6.596 -1.548 1.00 0.00 H new ATOM 1282 N GLU A 86 10.316 -5.853 -4.576 1.00 0.00 N ATOM 1283 CA GLU A 86 10.612 -5.142 -5.832 1.00 0.00 C ATOM 1284 C GLU A 86 9.357 -5.032 -6.709 1.00 0.00 C ATOM 1285 O GLU A 86 8.525 -5.942 -6.733 1.00 0.00 O ATOM 1286 CB GLU A 86 11.695 -5.886 -6.633 1.00 0.00 C ATOM 1287 CG GLU A 86 13.103 -5.788 -6.032 1.00 0.00 C ATOM 1288 CD GLU A 86 13.709 -4.365 -6.032 1.00 0.00 C ATOM 1289 OE1 GLU A 86 13.219 -3.467 -6.761 1.00 0.00 O ATOM 1290 OE2 GLU A 86 14.721 -4.137 -5.319 1.00 0.00 O ATOM 0 H GLU A 86 9.683 -6.640 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 86 10.963 -4.145 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.417 -6.937 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.717 -5.489 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.071 -6.155 -5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.767 -6.451 -6.587 1.00 0.00 H new ATOM 1297 N GLU A 87 9.198 -3.912 -7.417 1.00 0.00 N ATOM 1298 CA GLU A 87 7.958 -3.577 -8.143 1.00 0.00 C ATOM 1299 C GLU A 87 7.583 -4.680 -9.154 1.00 0.00 C ATOM 1300 O GLU A 87 8.431 -5.124 -9.937 1.00 0.00 O ATOM 1301 CB GLU A 87 8.093 -2.206 -8.828 1.00 0.00 C ATOM 1302 CG GLU A 87 6.745 -1.708 -9.371 1.00 0.00 C ATOM 1303 CD GLU A 87 6.883 -0.371 -10.127 1.00 0.00 C ATOM 1304 OE1 GLU A 87 7.504 -0.352 -11.218 1.00 0.00 O ATOM 1305 OE2 GLU A 87 6.353 0.665 -9.653 1.00 0.00 O ATOM 0 H GLU A 87 9.927 -3.204 -7.507 1.00 0.00 H new ATOM 0 HA GLU A 87 7.144 -3.516 -7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.489 -1.481 -8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.811 -2.276 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.323 -2.460 -10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.044 -1.586 -8.545 1.00 0.00 H new ATOM 1312 N ALA A 88 6.316 -5.116 -9.135 1.00 0.00 N ATOM 1313 CA ALA A 88 5.818 -6.221 -9.964 1.00 0.00 C ATOM 1314 C ALA A 88 4.495 -5.866 -10.657 1.00 0.00 C ATOM 1315 O ALA A 88 4.097 -6.517 -11.629 1.00 0.00 O ATOM 1316 CB ALA A 88 5.693 -7.463 -9.083 1.00 0.00 C ATOM 0 H ALA A 88 5.600 -4.706 -8.536 1.00 0.00 H new ATOM 0 HA ALA A 88 6.524 -6.421 -10.770 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.324 -8.297 -9.680 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.670 -7.716 -8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.996 -7.263 -8.269 1.00 0.00 H new ATOM 1322 N GLY A 89 3.839 -4.806 -10.186 1.00 0.00 N ATOM 1323 CA GLY A 89 2.697 -4.200 -10.832 1.00 0.00 C ATOM 1324 C GLY A 89 2.159 -3.033 -10.013 1.00 0.00 C ATOM 1325 O GLY A 89 2.878 -2.299 -9.336 1.00 0.00 O ATOM 0 H GLY A 89 4.103 -4.339 -9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.980 -3.851 -11.825 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.913 -4.946 -10.967 1.00 0.00 H new ATOM 1329 N ALA A 90 0.846 -2.910 -10.073 1.00 0.00 N ATOM 1330 CA ALA A 90 0.039 -1.881 -9.427 1.00 0.00 C ATOM 1331 C ALA A 90 -1.389 -2.369 -9.134 1.00 0.00 C ATOM 1332 O ALA A 90 -1.889 -3.319 -9.745 1.00 0.00 O ATOM 1333 CB ALA A 90 0.040 -0.626 -10.308 1.00 0.00 C ATOM 0 H ALA A 90 0.275 -3.565 -10.607 1.00 0.00 H new ATOM 0 HA ALA A 90 0.478 -1.642 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.561 0.151 -9.835 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.062 -0.269 -10.432 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.381 -0.866 -11.284 1.00 0.00 H new ATOM 1339 N TYR A 91 -2.036 -1.712 -8.173 1.00 0.00 N ATOM 1340 CA TYR A 91 -3.402 -2.014 -7.731 1.00 0.00 C ATOM 1341 C TYR A 91 -4.458 -1.745 -8.829 1.00 0.00 C ATOM 1342 O TYR A 91 -4.259 -0.901 -9.709 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.663 -1.175 -6.479 1.00 0.00 C ATOM 1344 CG TYR A 91 -5.011 -1.383 -5.825 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -5.387 -2.660 -5.368 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -5.885 -0.288 -5.678 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -6.662 -2.855 -4.807 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -7.145 -0.475 -5.085 1.00 0.00 C ATOM 1349 CZ TYR A 91 -7.544 -1.764 -4.674 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.783 -1.962 -4.162 1.00 0.00 O ATOM 0 H TYR A 91 -1.616 -0.934 -7.665 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.491 -3.078 -7.510 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.886 -1.395 -5.747 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.565 -0.122 -6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.698 -3.488 -5.448 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.587 0.692 -6.020 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.964 -3.839 -4.479 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.807 0.367 -4.944 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.232 -1.098 -4.049 1.00 0.00 H new ATOM 1360 N ASP A 92 -5.579 -2.473 -8.782 1.00 0.00 N ATOM 1361 CA ASP A 92 -6.618 -2.467 -9.829 1.00 0.00 C ATOM 1362 C ASP A 92 -8.024 -2.740 -9.247 1.00 0.00 C ATOM 1363 O ASP A 92 -8.727 -3.667 -9.657 1.00 0.00 O ATOM 1364 CB ASP A 92 -6.221 -3.460 -10.942 1.00 0.00 C ATOM 1365 CG ASP A 92 -7.118 -3.363 -12.187 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -7.518 -2.235 -12.571 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -7.395 -4.413 -12.819 1.00 0.00 O ATOM 0 H ASP A 92 -5.798 -3.095 -8.004 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.681 -1.472 -10.270 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.186 -3.276 -11.232 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.266 -4.475 -10.548 1.00 0.00 H new ATOM 1372 N GLY A 93 -8.420 -1.960 -8.236 1.00 0.00 N ATOM 1373 CA GLY A 93 -9.719 -2.065 -7.560 1.00 0.00 C ATOM 1374 C GLY A 93 -10.204 -0.756 -6.904 1.00 0.00 C ATOM 1375 O GLY A 93 -9.555 0.288 -7.042 1.00 0.00 O ATOM 0 H GLY A 93 -7.832 -1.219 -7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.466 -2.393 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.655 -2.839 -6.795 1.00 0.00 H new ATOM 1379 N PRO A 94 -11.355 -0.784 -6.202 1.00 0.00 N ATOM 1380 CA PRO A 94 -11.898 0.354 -5.450 1.00 0.00 C ATOM 1381 C PRO A 94 -10.919 0.973 -4.443 1.00 0.00 C ATOM 1382 O PRO A 94 -10.164 0.255 -3.782 1.00 0.00 O ATOM 1383 CB PRO A 94 -13.138 -0.187 -4.730 1.00 0.00 C ATOM 1384 CG PRO A 94 -13.562 -1.388 -5.571 1.00 0.00 C ATOM 1385 CD PRO A 94 -12.234 -1.937 -6.077 1.00 0.00 C ATOM 0 HA PRO A 94 -12.121 1.168 -6.139 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.908 -0.479 -3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.928 0.562 -4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -14.104 -2.125 -4.978 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.217 -1.095 -6.392 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.823 -2.670 -5.383 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.358 -2.441 -7.036 1.00 0.00 H new ATOM 1393 N ARG A 95 -10.969 2.298 -4.256 1.00 0.00 N ATOM 1394 CA ARG A 95 -10.167 3.042 -3.255 1.00 0.00 C ATOM 1395 C ARG A 95 -10.809 2.991 -1.860 1.00 0.00 C ATOM 1396 O ARG A 95 -11.208 4.006 -1.292 1.00 0.00 O ATOM 1397 CB ARG A 95 -9.896 4.477 -3.752 1.00 0.00 C ATOM 1398 CG ARG A 95 -8.963 4.480 -4.977 1.00 0.00 C ATOM 1399 CD ARG A 95 -8.610 5.897 -5.451 1.00 0.00 C ATOM 1400 NE ARG A 95 -9.786 6.588 -6.030 1.00 0.00 N ATOM 1401 CZ ARG A 95 -9.916 7.121 -7.235 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -8.955 7.133 -8.114 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -11.042 7.674 -7.585 1.00 0.00 N ATOM 0 H ARG A 95 -11.579 2.903 -4.805 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.199 2.553 -3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.839 4.959 -4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.448 5.063 -2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.046 3.945 -4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.440 3.937 -5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.224 6.476 -4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.815 5.845 -6.195 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.601 6.663 -5.421 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.051 6.719 -7.887 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.106 7.557 -9.029 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.824 7.697 -6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.142 8.085 -8.513 1.00 0.00 H new ATOM 1417 N THR A 96 -10.971 1.776 -1.340 1.00 0.00 N ATOM 1418 CA THR A 96 -11.627 1.442 -0.057 1.00 0.00 C ATOM 1419 C THR A 96 -11.008 0.186 0.556 1.00 0.00 C ATOM 1420 O THR A 96 -10.414 -0.623 -0.161 1.00 0.00 O ATOM 1421 CB THR A 96 -13.130 1.165 -0.246 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.346 0.053 -1.089 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.918 2.336 -0.838 1.00 0.00 C ATOM 0 H THR A 96 -10.632 0.944 -1.823 1.00 0.00 H new ATOM 0 HA THR A 96 -11.485 2.303 0.597 1.00 0.00 H new ATOM 0 HB THR A 96 -13.492 0.980 0.765 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.309 -0.100 -1.189 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.967 2.056 -0.937 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.834 3.201 -0.180 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.515 2.587 -1.819 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.181 -0.027 1.867 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.775 -1.249 2.569 1.00 0.00 C ATOM 1433 C ALA A 97 -11.330 -2.531 1.916 1.00 0.00 C ATOM 1434 O ALA A 97 -10.605 -3.502 1.702 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.267 -1.154 4.018 1.00 0.00 C ATOM 0 H ALA A 97 -11.617 0.661 2.481 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.689 -1.321 2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.976 -2.053 4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.822 -0.282 4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.353 -1.059 4.028 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.617 -2.511 1.558 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.309 -3.607 0.869 1.00 0.00 C ATOM 1443 C ASP A 98 -12.688 -3.915 -0.493 1.00 0.00 C ATOM 1444 O ASP A 98 -12.592 -5.074 -0.894 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.769 -3.208 0.651 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.649 -4.421 0.314 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.880 -5.271 1.209 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -16.123 -4.524 -0.844 1.00 0.00 O ATOM 0 H ASP A 98 -13.223 -1.712 1.744 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.224 -4.497 1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.150 -2.721 1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.830 -2.479 -0.157 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.236 -2.868 -1.185 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.499 -2.973 -2.438 1.00 0.00 C ATOM 1455 C GLY A 99 -10.229 -3.812 -2.289 1.00 0.00 C ATOM 1456 O GLY A 99 -10.017 -4.746 -3.064 1.00 0.00 O ATOM 0 H GLY A 99 -12.377 -1.905 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.140 -3.418 -3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.235 -1.975 -2.788 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.424 -3.540 -1.258 1.00 0.00 N ATOM 1461 CA ILE A 100 -8.178 -4.279 -0.997 1.00 0.00 C ATOM 1462 C ILE A 100 -8.464 -5.757 -0.684 1.00 0.00 C ATOM 1463 O ILE A 100 -7.849 -6.654 -1.266 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.359 -3.651 0.161 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.355 -2.109 0.236 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.916 -4.173 0.087 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -6.863 -1.362 -1.009 1.00 0.00 C ATOM 0 H ILE A 100 -9.614 -2.803 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.583 -4.215 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.866 -3.962 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.370 -1.776 0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.733 -1.811 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.330 -3.738 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.917 -5.259 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.476 -3.893 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.909 -0.288 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.834 -1.651 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.496 -1.616 -1.859 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.415 -6.020 0.223 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.821 -7.378 0.637 1.00 0.00 C ATOM 1481 C VAL A 101 -10.419 -8.174 -0.530 1.00 0.00 C ATOM 1482 O VAL A 101 -10.039 -9.323 -0.746 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.803 -7.320 1.819 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -11.275 -8.708 2.277 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.141 -6.656 3.035 1.00 0.00 C ATOM 0 H VAL A 101 -9.935 -5.284 0.700 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.922 -7.901 0.962 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.658 -6.749 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.966 -8.600 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.780 -9.211 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.415 -9.300 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.850 -6.623 3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.264 -7.231 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.839 -5.641 2.776 1.00 0.00 H new ATOM 1495 N SER A 102 -11.318 -7.568 -1.312 1.00 0.00 N ATOM 1496 CA SER A 102 -11.894 -8.215 -2.508 1.00 0.00 C ATOM 1497 C SER A 102 -10.845 -8.521 -3.586 1.00 0.00 C ATOM 1498 O SER A 102 -10.799 -9.640 -4.096 1.00 0.00 O ATOM 1499 CB SER A 102 -13.056 -7.413 -3.110 1.00 0.00 C ATOM 1500 OG SER A 102 -12.720 -6.067 -3.368 1.00 0.00 O ATOM 0 H SER A 102 -11.668 -6.625 -1.142 1.00 0.00 H new ATOM 0 HA SER A 102 -12.289 -9.166 -2.152 1.00 0.00 H new ATOM 0 HB2 SER A 102 -13.375 -7.887 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A 102 -13.905 -7.446 -2.427 1.00 0.00 H new ATOM 0 HG SER A 102 -12.829 -5.540 -2.549 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.952 -7.574 -3.882 1.00 0.00 N ATOM 1507 CA HIS A 103 -8.821 -7.765 -4.797 1.00 0.00 C ATOM 1508 C HIS A 103 -7.911 -8.930 -4.361 1.00 0.00 C ATOM 1509 O HIS A 103 -7.440 -9.686 -5.215 1.00 0.00 O ATOM 1510 CB HIS A 103 -8.057 -6.435 -4.887 1.00 0.00 C ATOM 1511 CG HIS A 103 -6.700 -6.517 -5.532 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -6.404 -6.376 -6.870 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -5.517 -6.709 -4.869 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -5.074 -6.485 -7.017 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -4.485 -6.696 -5.822 1.00 0.00 N ATOM 0 H HIS A 103 -9.994 -6.635 -3.486 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.190 -8.044 -5.784 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.664 -5.723 -5.445 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.939 -6.033 -3.881 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.399 -6.846 -3.804 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.550 -6.414 -7.959 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.488 -6.821 -5.645 1.00 0.00 H new ATOM 1523 N LEU A 104 -7.683 -9.110 -3.052 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.936 -10.241 -2.495 1.00 0.00 C ATOM 1525 C LEU A 104 -7.720 -11.562 -2.590 1.00 0.00 C ATOM 1526 O LEU A 104 -7.202 -12.542 -3.119 1.00 0.00 O ATOM 1527 CB LEU A 104 -6.533 -9.875 -1.048 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.693 -10.898 -0.255 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.523 -12.033 0.348 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.533 -11.481 -1.069 1.00 0.00 C ATOM 0 H LEU A 104 -8.019 -8.461 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.035 -10.419 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.976 -8.939 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.446 -9.682 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.276 -10.317 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.868 -12.714 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.263 -11.619 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.030 -12.576 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.981 -12.193 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.926 -11.988 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.866 -10.677 -1.380 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.966 -11.621 -2.108 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.741 -12.881 -2.026 1.00 0.00 C ATOM 1544 C LYS A 105 -10.075 -13.489 -3.401 1.00 0.00 C ATOM 1545 O LYS A 105 -10.263 -14.704 -3.498 1.00 0.00 O ATOM 1546 CB LYS A 105 -10.963 -12.690 -1.101 1.00 0.00 C ATOM 1547 CG LYS A 105 -12.195 -12.072 -1.780 1.00 0.00 C ATOM 1548 CD LYS A 105 -13.227 -11.536 -0.768 1.00 0.00 C ATOM 1549 CE LYS A 105 -13.841 -12.606 0.152 1.00 0.00 C ATOM 1550 NZ LYS A 105 -14.823 -13.483 -0.552 1.00 0.00 N ATOM 0 H LYS A 105 -9.471 -10.805 -1.763 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.106 -13.640 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.242 -13.659 -0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.671 -12.057 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.876 -11.259 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.669 -12.821 -2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.749 -10.776 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.030 -11.043 -1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.043 -13.222 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.335 -12.116 0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.204 -14.184 0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.601 -12.903 -0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.349 -13.974 -1.337 1.00 0.00 H new ATOM 1564 N LYS A 106 -10.080 -12.667 -4.460 1.00 0.00 N ATOM 1565 CA LYS A 106 -10.216 -13.061 -5.883 1.00 0.00 C ATOM 1566 C LYS A 106 -9.048 -13.908 -6.420 1.00 0.00 C ATOM 1567 O LYS A 106 -9.232 -14.606 -7.415 1.00 0.00 O ATOM 1568 CB LYS A 106 -10.380 -11.793 -6.742 1.00 0.00 C ATOM 1569 CG LYS A 106 -11.782 -11.159 -6.667 1.00 0.00 C ATOM 1570 CD LYS A 106 -12.721 -11.563 -7.818 1.00 0.00 C ATOM 1571 CE LYS A 106 -13.003 -13.070 -7.884 1.00 0.00 C ATOM 1572 NZ LYS A 106 -13.943 -13.394 -8.989 1.00 0.00 N ATOM 0 H LYS A 106 -9.985 -11.657 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.097 -13.699 -5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.642 -11.055 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.160 -12.040 -7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.245 -11.439 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.678 -10.074 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.666 -11.030 -7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.282 -11.243 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.068 -13.611 -8.028 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.423 -13.406 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.115 -14.420 -9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.843 -12.895 -8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.530 -13.094 -9.895 1.00 0.00 H new ATOM 1586 N GLN A 107 -7.875 -13.859 -5.780 1.00 0.00 N ATOM 1587 CA GLN A 107 -6.639 -14.509 -6.241 1.00 0.00 C ATOM 1588 C GLN A 107 -6.012 -15.462 -5.215 1.00 0.00 C ATOM 1589 O GLN A 107 -5.441 -16.490 -5.593 1.00 0.00 O ATOM 1590 CB GLN A 107 -5.642 -13.429 -6.677 1.00 0.00 C ATOM 1591 CG GLN A 107 -5.243 -12.388 -5.615 1.00 0.00 C ATOM 1592 CD GLN A 107 -4.309 -11.307 -6.161 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -3.172 -11.560 -6.547 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -4.745 -10.066 -6.198 1.00 0.00 N ATOM 0 H GLN A 107 -7.754 -13.353 -4.903 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.904 -15.145 -7.086 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.736 -13.924 -7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -6.065 -12.899 -7.531 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -6.143 -11.917 -5.219 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.756 -12.895 -4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.689 -9.847 -5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -4.139 -9.323 -6.546 1.00 0.00 H new ATOM 1603 N ALA A 108 -6.154 -15.156 -3.926 1.00 0.00 N ATOM 1604 CA ALA A 108 -5.729 -16.019 -2.821 1.00 0.00 C ATOM 1605 C ALA A 108 -6.463 -17.378 -2.764 1.00 0.00 C ATOM 1606 O ALA A 108 -5.865 -18.374 -2.350 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.917 -15.248 -1.512 1.00 0.00 C ATOM 0 H ALA A 108 -6.577 -14.282 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.681 -16.271 -2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.606 -15.872 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.312 -14.342 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.967 -14.980 -1.395 1.00 0.00 H new ATOM 1613 N GLY A 109 -7.739 -17.427 -3.177 1.00 0.00 N ATOM 1614 CA GLY A 109 -8.552 -18.654 -3.199 1.00 0.00 C ATOM 1615 C GLY A 109 -10.024 -18.535 -2.744 1.00 0.00 C ATOM 1616 O GLY A 109 -10.878 -19.134 -3.405 1.00 0.00 O ATOM 0 H GLY A 109 -8.242 -16.605 -3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.544 -19.046 -4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.062 -19.395 -2.567 1.00 0.00 H new ATOM 1620 N PRO A 110 -10.369 -17.789 -1.667 1.00 0.00 N ATOM 1621 CA PRO A 110 -11.708 -17.803 -1.050 1.00 0.00 C ATOM 1622 C PRO A 110 -12.890 -17.565 -1.994 1.00 0.00 C ATOM 1623 O PRO A 110 -13.971 -18.117 -1.782 1.00 0.00 O ATOM 1624 CB PRO A 110 -11.684 -16.726 0.032 1.00 0.00 C ATOM 1625 CG PRO A 110 -10.225 -16.683 0.451 1.00 0.00 C ATOM 1626 CD PRO A 110 -9.461 -17.020 -0.827 1.00 0.00 C ATOM 0 HA PRO A 110 -11.884 -18.810 -0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -12.021 -15.763 -0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -12.335 -16.981 0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.949 -15.700 0.833 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.016 -17.403 1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.139 -16.112 -1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -8.563 -17.595 -0.601 1.00 0.00 H new ATOM 1634 N ALA A 111 -12.700 -16.746 -3.032 1.00 0.00 N ATOM 1635 CA ALA A 111 -13.720 -16.463 -4.047 1.00 0.00 C ATOM 1636 C ALA A 111 -14.038 -17.633 -5.007 1.00 0.00 C ATOM 1637 O ALA A 111 -15.034 -17.556 -5.737 1.00 0.00 O ATOM 1638 CB ALA A 111 -13.273 -15.235 -4.844 1.00 0.00 C ATOM 0 H ALA A 111 -11.821 -16.254 -3.194 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.653 -16.287 -3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.017 -15.005 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.167 -14.384 -4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.315 -15.441 -5.322 1.00 0.00 H new ATOM 1644 N SER A 112 -13.233 -18.706 -5.032 1.00 0.00 N ATOM 1645 CA SER A 112 -13.299 -19.768 -6.061 1.00 0.00 C ATOM 1646 C SER A 112 -13.156 -21.214 -5.542 1.00 0.00 C ATOM 1647 O SER A 112 -13.487 -22.149 -6.282 1.00 0.00 O ATOM 1648 CB SER A 112 -12.211 -19.519 -7.122 1.00 0.00 C ATOM 1649 OG SER A 112 -12.331 -18.235 -7.725 1.00 0.00 O ATOM 0 H SER A 112 -12.508 -18.867 -4.333 1.00 0.00 H new ATOM 0 HA SER A 112 -14.307 -19.699 -6.470 1.00 0.00 H new ATOM 0 HB2 SER A 112 -11.228 -19.611 -6.660 1.00 0.00 H new ATOM 0 HB3 SER A 112 -12.275 -20.288 -7.892 1.00 0.00 H new ATOM 0 HG SER A 112 -11.621 -18.118 -8.390 1.00 0.00 H new ATOM 1655 N VAL A 113 -12.692 -21.428 -4.301 1.00 0.00 N ATOM 1656 CA VAL A 113 -12.667 -22.756 -3.629 1.00 0.00 C ATOM 1657 C VAL A 113 -14.055 -23.396 -3.481 1.00 0.00 C ATOM 1658 O VAL A 113 -15.057 -22.670 -3.281 1.00 0.00 O ATOM 1659 CB VAL A 113 -11.945 -22.731 -2.271 1.00 0.00 C ATOM 1660 CG1 VAL A 113 -10.433 -22.553 -2.472 1.00 0.00 C ATOM 1661 CG2 VAL A 113 -12.466 -21.645 -1.319 1.00 0.00 C ATOM 1662 OXT VAL A 113 -14.140 -24.643 -3.577 1.00 0.00 O ATOM 0 H VAL A 113 -12.316 -20.679 -3.720 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.089 -23.386 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.155 -23.692 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.936 -22.537 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.045 -23.381 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.243 -21.614 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.911 -21.686 -0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.332 -20.665 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -13.525 -21.812 -1.122 1.00 0.00 H new TER 1672 VAL A 113