USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=25 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 -48:sc= 0.291 USER MOD Set 1.2: A 10 ASN : amide:sc= 0.284 X(o=0.58,f=0.55) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -62:sc= 2 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -91:sc= 1.28 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 164:sc= 0 (180deg=-0.269) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.014) USER MOD Single : A 36 CYS SG : rot -87:sc= 0.385 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 161:sc= 0.0188 USER MOD Single : A 48 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 1.03 (180deg=0.868) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 64 ASN : amide:sc= 0.723 K(o=0.72,f=-0.013) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 67 THR OG1 : rot -68:sc= 1.26 USER MOD Single : A 69 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 177:sc= 0.14 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 109:sc= 1.11 USER MOD Single : A 80 LYS NZ :NH3+ 158:sc= 2.24 (180deg=1.71) USER MOD Single : A 91 TYR OH : rot 180:sc= 0.199 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 93:sc= 1.21 USER MOD Single : A 103 HIS : no HD1:sc=-0.00511 X(o=-0.0051,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= 0.938 K(o=0.94,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.744 1.714 15.272 1.00 0.00 N ATOM 2 CA SER A 1 -1.128 1.697 13.840 1.00 0.00 C ATOM 3 C SER A 1 -0.721 0.383 13.174 1.00 0.00 C ATOM 4 O SER A 1 0.433 -0.034 13.270 1.00 0.00 O ATOM 5 CB SER A 1 -0.510 2.877 13.072 1.00 0.00 C ATOM 6 OG SER A 1 -0.918 4.107 13.648 1.00 0.00 O ATOM 0 H1 SER A 1 -1.033 2.618 15.698 1.00 0.00 H new ATOM 0 H2 SER A 1 -1.216 0.931 15.767 1.00 0.00 H new ATOM 0 H3 SER A 1 0.287 1.605 15.356 1.00 0.00 H new ATOM 0 HA SER A 1 -2.213 1.792 13.804 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.577 2.802 13.090 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.815 2.839 12.026 1.00 0.00 H new ATOM 0 HG SER A 1 -0.516 4.850 13.151 1.00 0.00 H new ATOM 14 N ASP A 2 -1.662 -0.295 12.510 1.00 0.00 N ATOM 15 CA ASP A 2 -1.418 -1.575 11.824 1.00 0.00 C ATOM 16 C ASP A 2 -0.686 -1.420 10.474 1.00 0.00 C ATOM 17 O ASP A 2 -0.018 -2.353 10.025 1.00 0.00 O ATOM 18 CB ASP A 2 -2.755 -2.305 11.625 1.00 0.00 C ATOM 19 CG ASP A 2 -3.248 -2.907 12.953 1.00 0.00 C ATOM 20 OD1 ASP A 2 -2.872 -4.064 13.260 1.00 0.00 O ATOM 21 OD2 ASP A 2 -3.970 -2.215 13.710 1.00 0.00 O ATOM 0 H ASP A 2 -2.626 0.030 12.431 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.754 -2.160 12.461 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.500 -1.611 11.236 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.637 -3.095 10.883 1.00 0.00 H new ATOM 26 N VAL A 3 -0.777 -0.240 9.847 1.00 0.00 N ATOM 27 CA VAL A 3 -0.015 0.127 8.637 1.00 0.00 C ATOM 28 C VAL A 3 1.411 0.551 9.028 1.00 0.00 C ATOM 29 O VAL A 3 1.590 1.353 9.953 1.00 0.00 O ATOM 30 CB VAL A 3 -0.687 1.299 7.877 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.113 1.415 6.465 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.204 1.163 7.725 1.00 0.00 C ATOM 0 H VAL A 3 -1.394 0.505 10.170 1.00 0.00 H new ATOM 0 HA VAL A 3 0.010 -0.747 7.986 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.479 2.179 8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.594 2.242 5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.960 1.597 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.295 0.488 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.594 2.024 7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.434 0.252 7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.666 1.116 8.711 1.00 0.00 H new ATOM 42 N LEU A 4 2.426 0.060 8.306 1.00 0.00 N ATOM 43 CA LEU A 4 3.807 0.548 8.422 1.00 0.00 C ATOM 44 C LEU A 4 3.972 1.973 7.855 1.00 0.00 C ATOM 45 O LEU A 4 3.327 2.345 6.875 1.00 0.00 O ATOM 46 CB LEU A 4 4.744 -0.424 7.679 1.00 0.00 C ATOM 47 CG LEU A 4 4.845 -1.837 8.280 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.612 -2.731 7.302 1.00 0.00 C ATOM 49 CD2 LEU A 4 5.581 -1.836 9.620 1.00 0.00 C ATOM 0 H LEU A 4 2.313 -0.689 7.623 1.00 0.00 H new ATOM 0 HA LEU A 4 4.063 0.593 9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.405 -0.511 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.743 0.012 7.651 1.00 0.00 H new ATOM 0 HG LEU A 4 3.834 -2.207 8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.692 -3.737 7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.081 -2.770 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.610 -2.324 7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.630 -2.853 10.009 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.592 -1.452 9.480 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.047 -1.202 10.328 1.00 0.00 H new ATOM 61 N GLU A 5 4.898 2.745 8.420 1.00 0.00 N ATOM 62 CA GLU A 5 5.191 4.130 8.013 1.00 0.00 C ATOM 63 C GLU A 5 6.658 4.247 7.560 1.00 0.00 C ATOM 64 O GLU A 5 7.589 4.369 8.359 1.00 0.00 O ATOM 65 CB GLU A 5 4.771 5.139 9.101 1.00 0.00 C ATOM 66 CG GLU A 5 5.259 4.828 10.529 1.00 0.00 C ATOM 67 CD GLU A 5 4.792 5.913 11.513 1.00 0.00 C ATOM 68 OE1 GLU A 5 5.526 6.912 11.711 1.00 0.00 O ATOM 69 OE2 GLU A 5 3.696 5.777 12.113 1.00 0.00 O ATOM 0 H GLU A 5 5.482 2.424 9.192 1.00 0.00 H new ATOM 0 HA GLU A 5 4.585 4.395 7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.140 6.125 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.683 5.198 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.879 3.856 10.845 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.347 4.764 10.541 1.00 0.00 H new ATOM 76 N LEU A 6 6.862 4.134 6.245 1.00 0.00 N ATOM 77 CA LEU A 6 8.184 3.982 5.623 1.00 0.00 C ATOM 78 C LEU A 6 8.719 5.280 4.987 1.00 0.00 C ATOM 79 O LEU A 6 7.985 6.251 4.771 1.00 0.00 O ATOM 80 CB LEU A 6 8.121 2.829 4.600 1.00 0.00 C ATOM 81 CG LEU A 6 7.617 1.485 5.170 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.659 0.422 4.074 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.447 0.991 6.357 1.00 0.00 C ATOM 0 H LEU A 6 6.099 4.146 5.568 1.00 0.00 H new ATOM 0 HA LEU A 6 8.900 3.743 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.470 3.126 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.116 2.680 4.180 1.00 0.00 H new ATOM 0 HG LEU A 6 6.600 1.654 5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.304 -0.528 4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.020 0.728 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.683 0.306 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.044 0.043 6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.482 0.851 6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.407 1.727 7.160 1.00 0.00 H new ATOM 95 N THR A 7 10.019 5.285 4.681 1.00 0.00 N ATOM 96 CA THR A 7 10.767 6.402 4.085 1.00 0.00 C ATOM 97 C THR A 7 11.853 5.873 3.145 1.00 0.00 C ATOM 98 O THR A 7 12.223 4.699 3.210 1.00 0.00 O ATOM 99 CB THR A 7 11.449 7.277 5.157 1.00 0.00 C ATOM 100 OG1 THR A 7 12.400 6.526 5.892 1.00 0.00 O ATOM 101 CG2 THR A 7 10.477 7.899 6.155 1.00 0.00 C ATOM 0 H THR A 7 10.610 4.471 4.849 1.00 0.00 H new ATOM 0 HA THR A 7 10.044 7.007 3.538 1.00 0.00 H new ATOM 0 HB THR A 7 11.926 8.083 4.599 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.996 5.682 6.182 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.031 8.499 6.877 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.767 8.533 5.624 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.938 7.109 6.678 1.00 0.00 H new ATOM 109 N ASP A 8 12.415 6.741 2.303 1.00 0.00 N ATOM 110 CA ASP A 8 13.528 6.413 1.393 1.00 0.00 C ATOM 111 C ASP A 8 14.764 5.849 2.127 1.00 0.00 C ATOM 112 O ASP A 8 15.534 5.076 1.558 1.00 0.00 O ATOM 113 CB ASP A 8 13.899 7.689 0.625 1.00 0.00 C ATOM 114 CG ASP A 8 14.587 7.379 -0.711 1.00 0.00 C ATOM 115 OD1 ASP A 8 13.870 7.080 -1.698 1.00 0.00 O ATOM 116 OD2 ASP A 8 15.835 7.483 -0.792 1.00 0.00 O ATOM 0 H ASP A 8 12.108 7.711 2.228 1.00 0.00 H new ATOM 0 HA ASP A 8 13.199 5.625 0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.999 8.276 0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.559 8.302 1.239 1.00 0.00 H new ATOM 121 N ASP A 9 14.940 6.219 3.402 1.00 0.00 N ATOM 122 CA ASP A 9 16.056 5.809 4.264 1.00 0.00 C ATOM 123 C ASP A 9 15.935 4.373 4.805 1.00 0.00 C ATOM 124 O ASP A 9 16.955 3.754 5.107 1.00 0.00 O ATOM 125 CB ASP A 9 16.138 6.797 5.439 1.00 0.00 C ATOM 126 CG ASP A 9 17.399 6.594 6.298 1.00 0.00 C ATOM 127 OD1 ASP A 9 18.522 6.887 5.817 1.00 0.00 O ATOM 128 OD2 ASP A 9 17.264 6.189 7.478 1.00 0.00 O ATOM 0 H ASP A 9 14.283 6.836 3.880 1.00 0.00 H new ATOM 0 HA ASP A 9 16.960 5.822 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 9 16.126 7.816 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.254 6.684 6.066 1.00 0.00 H new ATOM 133 N ASN A 10 14.708 3.832 4.929 1.00 0.00 N ATOM 134 CA ASN A 10 14.460 2.552 5.622 1.00 0.00 C ATOM 135 C ASN A 10 13.583 1.537 4.869 1.00 0.00 C ATOM 136 O ASN A 10 13.608 0.353 5.211 1.00 0.00 O ATOM 137 CB ASN A 10 13.984 2.820 7.066 1.00 0.00 C ATOM 138 CG ASN A 10 12.476 2.796 7.262 1.00 0.00 C ATOM 139 OD1 ASN A 10 11.781 3.774 7.034 1.00 0.00 O ATOM 140 ND2 ASN A 10 11.909 1.683 7.669 1.00 0.00 N ATOM 0 H ASN A 10 13.865 4.267 4.554 1.00 0.00 H new ATOM 0 HA ASN A 10 15.420 2.037 5.654 1.00 0.00 H new ATOM 0 HB2 ASN A 10 14.432 2.076 7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.361 3.793 7.382 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.897 1.641 7.792 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.480 0.861 7.862 1.00 0.00 H new ATOM 147 N PHE A 11 12.867 1.936 3.811 1.00 0.00 N ATOM 148 CA PHE A 11 12.141 1.010 2.922 1.00 0.00 C ATOM 149 C PHE A 11 13.038 -0.146 2.419 1.00 0.00 C ATOM 150 O PHE A 11 12.623 -1.301 2.412 1.00 0.00 O ATOM 151 CB PHE A 11 11.558 1.829 1.752 1.00 0.00 C ATOM 152 CG PHE A 11 10.802 1.022 0.705 1.00 0.00 C ATOM 153 CD1 PHE A 11 11.498 0.382 -0.342 1.00 0.00 C ATOM 154 CD2 PHE A 11 9.400 0.924 0.760 1.00 0.00 C ATOM 155 CE1 PHE A 11 10.796 -0.353 -1.317 1.00 0.00 C ATOM 156 CE2 PHE A 11 8.697 0.194 -0.214 1.00 0.00 C ATOM 157 CZ PHE A 11 9.395 -0.441 -1.253 1.00 0.00 C ATOM 0 H PHE A 11 12.772 2.916 3.543 1.00 0.00 H new ATOM 0 HA PHE A 11 11.336 0.532 3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.886 2.585 2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.373 2.359 1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.574 0.456 -0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.859 1.413 1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.333 -0.848 -2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.621 0.122 -0.163 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.855 -0.998 -2.004 1.00 0.00 H new ATOM 167 N GLU A 12 14.314 0.145 2.129 1.00 0.00 N ATOM 168 CA GLU A 12 15.344 -0.806 1.666 1.00 0.00 C ATOM 169 C GLU A 12 15.706 -1.920 2.676 1.00 0.00 C ATOM 170 O GLU A 12 16.390 -2.883 2.323 1.00 0.00 O ATOM 171 CB GLU A 12 16.624 -0.038 1.283 1.00 0.00 C ATOM 172 CG GLU A 12 16.410 0.971 0.148 1.00 0.00 C ATOM 173 CD GLU A 12 17.757 1.543 -0.337 1.00 0.00 C ATOM 174 OE1 GLU A 12 18.415 2.311 0.407 1.00 0.00 O ATOM 175 OE2 GLU A 12 18.177 1.226 -1.479 1.00 0.00 O ATOM 0 H GLU A 12 14.677 1.094 2.214 1.00 0.00 H new ATOM 0 HA GLU A 12 14.905 -1.312 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.000 0.488 2.161 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.392 -0.752 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.895 0.488 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.768 1.782 0.492 1.00 0.00 H new ATOM 182 N SER A 13 15.253 -1.816 3.929 1.00 0.00 N ATOM 183 CA SER A 13 15.385 -2.870 4.955 1.00 0.00 C ATOM 184 C SER A 13 14.184 -3.824 5.026 1.00 0.00 C ATOM 185 O SER A 13 14.321 -4.966 5.472 1.00 0.00 O ATOM 186 CB SER A 13 15.593 -2.218 6.328 1.00 0.00 C ATOM 187 OG SER A 13 14.398 -1.604 6.784 1.00 0.00 O ATOM 0 H SER A 13 14.774 -0.983 4.271 1.00 0.00 H new ATOM 0 HA SER A 13 16.245 -3.475 4.667 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.917 -2.971 7.047 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.387 -1.474 6.265 1.00 0.00 H new ATOM 0 HG SER A 13 14.136 -0.894 6.161 1.00 0.00 H new ATOM 193 N ARG A 14 12.996 -3.363 4.602 1.00 0.00 N ATOM 194 CA ARG A 14 11.718 -4.069 4.797 1.00 0.00 C ATOM 195 C ARG A 14 11.515 -5.217 3.808 1.00 0.00 C ATOM 196 O ARG A 14 10.970 -6.262 4.163 1.00 0.00 O ATOM 197 CB ARG A 14 10.551 -3.098 4.586 1.00 0.00 C ATOM 198 CG ARG A 14 10.476 -1.895 5.536 1.00 0.00 C ATOM 199 CD ARG A 14 10.378 -2.264 7.028 1.00 0.00 C ATOM 200 NE ARG A 14 11.708 -2.489 7.622 1.00 0.00 N ATOM 201 CZ ARG A 14 12.006 -3.099 8.753 1.00 0.00 C ATOM 202 NH1 ARG A 14 11.102 -3.666 9.507 1.00 0.00 N ATOM 203 NH2 ARG A 14 13.243 -3.137 9.141 1.00 0.00 N ATOM 0 H ARG A 14 12.894 -2.477 4.107 1.00 0.00 H new ATOM 0 HA ARG A 14 11.747 -4.469 5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.601 -2.722 3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.621 -3.659 4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.359 -1.274 5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.611 -1.289 5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.869 -1.466 7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.772 -3.163 7.142 1.00 0.00 H new ATOM 0 HE ARG A 14 12.499 -2.127 7.090 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.121 -3.648 9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.377 -4.127 10.374 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.969 -2.699 8.574 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.490 -3.605 10.013 1.00 0.00 H new ATOM 217 N ILE A 15 11.955 -5.006 2.568 1.00 0.00 N ATOM 218 CA ILE A 15 11.670 -5.866 1.412 1.00 0.00 C ATOM 219 C ILE A 15 12.173 -7.310 1.568 1.00 0.00 C ATOM 220 O ILE A 15 11.631 -8.235 0.961 1.00 0.00 O ATOM 221 CB ILE A 15 12.143 -5.204 0.091 1.00 0.00 C ATOM 222 CG1 ILE A 15 13.599 -5.511 -0.329 1.00 0.00 C ATOM 223 CG2 ILE A 15 11.886 -3.686 0.100 1.00 0.00 C ATOM 224 CD1 ILE A 15 14.663 -4.964 0.620 1.00 0.00 C ATOM 0 H ILE A 15 12.540 -4.205 2.329 1.00 0.00 H new ATOM 0 HA ILE A 15 10.585 -5.962 1.363 1.00 0.00 H new ATOM 0 HB ILE A 15 11.528 -5.676 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 15 13.721 -6.591 -0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 15 13.771 -5.099 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.229 -3.253 -0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.819 -3.498 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.428 -3.230 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.653 -5.227 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.574 -3.879 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.523 -5.395 1.611 1.00 0.00 H new ATOM 236 N SER A 16 13.177 -7.503 2.423 1.00 0.00 N ATOM 237 CA SER A 16 13.818 -8.796 2.712 1.00 0.00 C ATOM 238 C SER A 16 12.990 -9.679 3.654 1.00 0.00 C ATOM 239 O SER A 16 13.189 -10.893 3.699 1.00 0.00 O ATOM 240 CB SER A 16 15.197 -8.562 3.343 1.00 0.00 C ATOM 241 OG SER A 16 16.022 -7.800 2.470 1.00 0.00 O ATOM 0 H SER A 16 13.586 -6.736 2.957 1.00 0.00 H new ATOM 0 HA SER A 16 13.906 -9.319 1.760 1.00 0.00 H new ATOM 0 HB2 SER A 16 15.085 -8.041 4.294 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.672 -9.519 3.558 1.00 0.00 H new ATOM 0 HG SER A 16 16.897 -7.658 2.888 1.00 0.00 H new ATOM 247 N ASP A 17 12.027 -9.098 4.380 1.00 0.00 N ATOM 248 CA ASP A 17 11.151 -9.815 5.316 1.00 0.00 C ATOM 249 C ASP A 17 9.926 -10.469 4.633 1.00 0.00 C ATOM 250 O ASP A 17 9.133 -11.158 5.276 1.00 0.00 O ATOM 251 CB ASP A 17 10.729 -8.839 6.430 1.00 0.00 C ATOM 252 CG ASP A 17 10.148 -9.550 7.661 1.00 0.00 C ATOM 253 OD1 ASP A 17 10.845 -10.421 8.241 1.00 0.00 O ATOM 254 OD2 ASP A 17 9.020 -9.204 8.090 1.00 0.00 O ATOM 0 H ASP A 17 11.831 -8.098 4.333 1.00 0.00 H new ATOM 0 HA ASP A 17 11.711 -10.649 5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.592 -8.247 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.988 -8.144 6.035 1.00 0.00 H new ATOM 259 N THR A 18 9.761 -10.247 3.321 1.00 0.00 N ATOM 260 CA THR A 18 8.611 -10.700 2.511 1.00 0.00 C ATOM 261 C THR A 18 8.390 -12.208 2.470 1.00 0.00 C ATOM 262 O THR A 18 7.266 -12.643 2.238 1.00 0.00 O ATOM 263 CB THR A 18 8.713 -10.221 1.055 1.00 0.00 C ATOM 264 OG1 THR A 18 10.005 -10.412 0.527 1.00 0.00 O ATOM 265 CG2 THR A 18 8.336 -8.752 0.933 1.00 0.00 C ATOM 0 H THR A 18 10.447 -9.729 2.771 1.00 0.00 H new ATOM 0 HA THR A 18 7.763 -10.251 3.028 1.00 0.00 H new ATOM 0 HB THR A 18 8.010 -10.825 0.481 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.545 -9.610 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.417 -8.441 -0.108 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.311 -8.610 1.275 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.009 -8.152 1.545 1.00 0.00 H new ATOM 273 N GLY A 19 9.420 -13.021 2.711 1.00 0.00 N ATOM 274 CA GLY A 19 9.358 -14.495 2.667 1.00 0.00 C ATOM 275 C GLY A 19 8.222 -15.122 3.495 1.00 0.00 C ATOM 276 O GLY A 19 7.680 -16.160 3.108 1.00 0.00 O ATOM 0 H GLY A 19 10.348 -12.670 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.247 -14.808 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.309 -14.895 3.020 1.00 0.00 H new ATOM 280 N SER A 20 7.819 -14.475 4.590 1.00 0.00 N ATOM 281 CA SER A 20 6.723 -14.917 5.466 1.00 0.00 C ATOM 282 C SER A 20 5.299 -14.704 4.923 1.00 0.00 C ATOM 283 O SER A 20 4.360 -15.329 5.425 1.00 0.00 O ATOM 284 CB SER A 20 6.831 -14.216 6.821 1.00 0.00 C ATOM 285 OG SER A 20 8.050 -14.553 7.470 1.00 0.00 O ATOM 0 H SER A 20 8.254 -13.607 4.903 1.00 0.00 H new ATOM 0 HA SER A 20 6.855 -15.996 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.775 -13.136 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.988 -14.501 7.451 1.00 0.00 H new ATOM 0 HG SER A 20 8.099 -14.092 8.334 1.00 0.00 H new ATOM 291 N ALA A 21 5.125 -13.861 3.904 1.00 0.00 N ATOM 292 CA ALA A 21 3.825 -13.550 3.284 1.00 0.00 C ATOM 293 C ALA A 21 3.820 -13.640 1.740 1.00 0.00 C ATOM 294 O ALA A 21 2.765 -13.516 1.112 1.00 0.00 O ATOM 295 CB ALA A 21 3.403 -12.156 3.763 1.00 0.00 C ATOM 0 H ALA A 21 5.901 -13.360 3.472 1.00 0.00 H new ATOM 0 HA ALA A 21 3.109 -14.309 3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.442 -11.895 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.315 -12.156 4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.152 -11.425 3.460 1.00 0.00 H new ATOM 301 N GLY A 22 4.984 -13.848 1.110 1.00 0.00 N ATOM 302 CA GLY A 22 5.176 -13.982 -0.340 1.00 0.00 C ATOM 303 C GLY A 22 5.273 -12.651 -1.106 1.00 0.00 C ATOM 304 O GLY A 22 5.971 -12.574 -2.121 1.00 0.00 O ATOM 0 H GLY A 22 5.861 -13.932 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.085 -14.555 -0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.348 -14.561 -0.750 1.00 0.00 H new ATOM 308 N LEU A 23 4.618 -11.588 -0.624 1.00 0.00 N ATOM 309 CA LEU A 23 4.656 -10.233 -1.188 1.00 0.00 C ATOM 310 C LEU A 23 4.436 -9.151 -0.119 1.00 0.00 C ATOM 311 O LEU A 23 4.113 -9.453 1.031 1.00 0.00 O ATOM 312 CB LEU A 23 3.663 -10.124 -2.378 1.00 0.00 C ATOM 313 CG LEU A 23 2.150 -10.116 -2.064 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.622 -8.743 -1.621 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.395 -10.494 -3.342 1.00 0.00 C ATOM 0 H LEU A 23 4.023 -11.651 0.202 1.00 0.00 H new ATOM 0 HA LEU A 23 5.657 -10.049 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.895 -9.209 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.859 -10.957 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 23 1.994 -10.818 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.553 -8.812 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.144 -8.427 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.794 -8.014 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.323 -10.495 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.619 -9.769 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.705 -11.487 -3.667 1.00 0.00 H new ATOM 327 N MET A 24 4.572 -7.884 -0.523 1.00 0.00 N ATOM 328 CA MET A 24 4.241 -6.692 0.264 1.00 0.00 C ATOM 329 C MET A 24 3.423 -5.704 -0.571 1.00 0.00 C ATOM 330 O MET A 24 3.602 -5.613 -1.788 1.00 0.00 O ATOM 331 CB MET A 24 5.553 -6.077 0.771 1.00 0.00 C ATOM 332 CG MET A 24 5.382 -4.872 1.698 1.00 0.00 C ATOM 333 SD MET A 24 6.955 -4.367 2.442 1.00 0.00 S ATOM 334 CE MET A 24 6.345 -3.090 3.569 1.00 0.00 C ATOM 0 H MET A 24 4.932 -7.651 -1.449 1.00 0.00 H new ATOM 0 HA MET A 24 3.620 -6.957 1.120 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.118 -6.846 1.298 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.152 -5.774 -0.088 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.961 -4.038 1.136 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.670 -5.117 2.486 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.112 -2.862 4.310 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.107 -2.189 3.004 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.448 -3.449 4.074 1.00 0.00 H new ATOM 344 N LEU A 25 2.532 -4.957 0.089 1.00 0.00 N ATOM 345 CA LEU A 25 1.652 -3.956 -0.512 1.00 0.00 C ATOM 346 C LEU A 25 1.990 -2.586 0.110 1.00 0.00 C ATOM 347 O LEU A 25 2.192 -2.489 1.321 1.00 0.00 O ATOM 348 CB LEU A 25 0.190 -4.378 -0.244 1.00 0.00 C ATOM 349 CG LEU A 25 -0.853 -3.983 -1.306 1.00 0.00 C ATOM 350 CD1 LEU A 25 -2.246 -4.439 -0.860 1.00 0.00 C ATOM 351 CD2 LEU A 25 -0.940 -2.490 -1.616 1.00 0.00 C ATOM 0 H LEU A 25 2.401 -5.038 1.097 1.00 0.00 H new ATOM 0 HA LEU A 25 1.789 -3.880 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.165 -5.462 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.118 -3.950 0.710 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.515 -4.478 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.980 -4.157 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.252 -5.522 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.499 -3.963 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.703 -2.320 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.202 -1.945 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.023 -2.138 -1.985 1.00 0.00 H new ATOM 363 N VAL A 26 2.057 -1.526 -0.697 1.00 0.00 N ATOM 364 CA VAL A 26 2.373 -0.158 -0.238 1.00 0.00 C ATOM 365 C VAL A 26 1.491 0.888 -0.922 1.00 0.00 C ATOM 366 O VAL A 26 1.129 0.735 -2.089 1.00 0.00 O ATOM 367 CB VAL A 26 3.882 0.136 -0.415 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.325 0.117 -1.880 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.314 1.461 0.214 1.00 0.00 C ATOM 0 H VAL A 26 1.892 -1.586 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 26 2.148 -0.094 0.827 1.00 0.00 H new ATOM 0 HB VAL A 26 4.376 -0.679 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.392 0.330 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.126 -0.866 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.772 0.873 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.382 1.608 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.762 2.280 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.106 1.441 1.284 1.00 0.00 H new ATOM 379 N GLU A 27 1.168 1.971 -0.218 1.00 0.00 N ATOM 380 CA GLU A 27 0.404 3.116 -0.727 1.00 0.00 C ATOM 381 C GLU A 27 1.232 4.408 -0.678 1.00 0.00 C ATOM 382 O GLU A 27 1.743 4.813 0.370 1.00 0.00 O ATOM 383 CB GLU A 27 -0.895 3.275 0.084 1.00 0.00 C ATOM 384 CG GLU A 27 -1.755 4.450 -0.400 1.00 0.00 C ATOM 385 CD GLU A 27 -3.038 4.589 0.446 1.00 0.00 C ATOM 386 OE1 GLU A 27 -2.971 5.200 1.545 1.00 0.00 O ATOM 387 OE2 GLU A 27 -4.117 4.128 0.000 1.00 0.00 O ATOM 0 H GLU A 27 1.440 2.083 0.759 1.00 0.00 H new ATOM 0 HA GLU A 27 0.155 2.926 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.475 2.354 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.647 3.421 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.178 5.373 -0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.021 4.302 -1.447 1.00 0.00 H new ATOM 394 N PHE A 28 1.314 5.091 -1.816 1.00 0.00 N ATOM 395 CA PHE A 28 1.895 6.424 -1.949 1.00 0.00 C ATOM 396 C PHE A 28 0.771 7.460 -2.073 1.00 0.00 C ATOM 397 O PHE A 28 -0.126 7.312 -2.908 1.00 0.00 O ATOM 398 CB PHE A 28 2.838 6.459 -3.157 1.00 0.00 C ATOM 399 CG PHE A 28 3.981 5.467 -3.083 1.00 0.00 C ATOM 400 CD1 PHE A 28 5.178 5.814 -2.428 1.00 0.00 C ATOM 401 CD2 PHE A 28 3.852 4.195 -3.670 1.00 0.00 C ATOM 402 CE1 PHE A 28 6.224 4.882 -2.323 1.00 0.00 C ATOM 403 CE2 PHE A 28 4.909 3.264 -3.583 1.00 0.00 C ATOM 404 CZ PHE A 28 6.086 3.602 -2.886 1.00 0.00 C ATOM 0 H PHE A 28 0.967 4.720 -2.700 1.00 0.00 H new ATOM 0 HA PHE A 28 2.482 6.668 -1.064 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.260 6.263 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.250 7.464 -3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.293 6.801 -2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.942 3.930 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.135 5.150 -1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.816 2.294 -4.050 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.881 2.878 -2.785 1.00 0.00 H new ATOM 414 N PHE A 29 0.798 8.492 -1.226 1.00 0.00 N ATOM 415 CA PHE A 29 -0.290 9.468 -1.067 1.00 0.00 C ATOM 416 C PHE A 29 0.238 10.876 -0.715 1.00 0.00 C ATOM 417 O PHE A 29 1.429 11.045 -0.462 1.00 0.00 O ATOM 418 CB PHE A 29 -1.268 8.903 -0.015 1.00 0.00 C ATOM 419 CG PHE A 29 -2.482 9.762 0.282 1.00 0.00 C ATOM 420 CD1 PHE A 29 -3.441 10.015 -0.720 1.00 0.00 C ATOM 421 CD2 PHE A 29 -2.632 10.355 1.553 1.00 0.00 C ATOM 422 CE1 PHE A 29 -4.542 10.852 -0.456 1.00 0.00 C ATOM 423 CE2 PHE A 29 -3.740 11.179 1.816 1.00 0.00 C ATOM 424 CZ PHE A 29 -4.688 11.437 0.812 1.00 0.00 C ATOM 0 H PHE A 29 1.594 8.679 -0.616 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.818 9.607 -2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.611 7.925 -0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.721 8.745 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.331 9.564 -1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.896 10.176 2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.273 11.044 -1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.863 11.616 2.796 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.528 12.085 1.015 1.00 0.00 H new ATOM 434 N ALA A 30 -0.624 11.896 -0.690 1.00 0.00 N ATOM 435 CA ALA A 30 -0.276 13.279 -0.352 1.00 0.00 C ATOM 436 C ALA A 30 -1.242 13.829 0.724 1.00 0.00 C ATOM 437 O ALA A 30 -2.387 14.163 0.405 1.00 0.00 O ATOM 438 CB ALA A 30 -0.316 14.114 -1.634 1.00 0.00 C ATOM 0 H ALA A 30 -1.613 11.779 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 30 0.728 13.327 0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.060 15.148 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.401 13.714 -2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.318 14.076 -2.062 1.00 0.00 H new ATOM 444 N PRO A 31 -0.817 13.956 2.000 1.00 0.00 N ATOM 445 CA PRO A 31 -1.696 14.371 3.102 1.00 0.00 C ATOM 446 C PRO A 31 -2.167 15.839 3.034 1.00 0.00 C ATOM 447 O PRO A 31 -3.035 16.241 3.812 1.00 0.00 O ATOM 448 CB PRO A 31 -0.906 14.071 4.377 1.00 0.00 C ATOM 449 CG PRO A 31 0.548 14.174 3.930 1.00 0.00 C ATOM 450 CD PRO A 31 0.503 13.623 2.505 1.00 0.00 C ATOM 0 HA PRO A 31 -2.636 13.822 3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.134 14.786 5.168 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.136 13.080 4.767 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.907 15.203 3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.210 13.590 4.569 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.283 14.069 1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.666 12.545 2.496 1.00 0.00 H new ATOM 458 N TRP A 32 -1.628 16.645 2.107 1.00 0.00 N ATOM 459 CA TRP A 32 -2.140 17.992 1.799 1.00 0.00 C ATOM 460 C TRP A 32 -3.524 17.978 1.119 1.00 0.00 C ATOM 461 O TRP A 32 -4.260 18.970 1.200 1.00 0.00 O ATOM 462 CB TRP A 32 -1.125 18.733 0.908 1.00 0.00 C ATOM 463 CG TRP A 32 0.250 18.984 1.462 1.00 0.00 C ATOM 464 CD1 TRP A 32 0.643 18.818 2.744 1.00 0.00 C ATOM 465 CD2 TRP A 32 1.425 19.478 0.747 1.00 0.00 C ATOM 466 NE1 TRP A 32 1.973 19.169 2.872 1.00 0.00 N ATOM 467 CE2 TRP A 32 2.506 19.588 1.671 1.00 0.00 C ATOM 468 CE3 TRP A 32 1.692 19.845 -0.596 1.00 0.00 C ATOM 469 CZ2 TRP A 32 3.785 20.026 1.289 1.00 0.00 C ATOM 470 CZ3 TRP A 32 2.970 20.289 -0.990 1.00 0.00 C ATOM 471 CH2 TRP A 32 4.019 20.375 -0.052 1.00 0.00 C ATOM 0 H TRP A 32 -0.819 16.380 1.545 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.268 18.511 2.749 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.014 18.165 -0.016 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.558 19.697 0.639 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.013 18.465 3.547 1.00 0.00 H new ATOM 0 HE1 TRP A 32 2.496 19.124 3.747 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.902 19.783 -1.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.579 20.094 2.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.147 20.566 -2.019 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.998 20.708 -0.363 1.00 0.00 H new ATOM 482 N CYS A 33 -3.901 16.874 0.458 1.00 0.00 N ATOM 483 CA CYS A 33 -5.218 16.694 -0.158 1.00 0.00 C ATOM 484 C CYS A 33 -6.320 16.476 0.896 1.00 0.00 C ATOM 485 O CYS A 33 -6.115 15.768 1.883 1.00 0.00 O ATOM 486 CB CYS A 33 -5.149 15.494 -1.119 1.00 0.00 C ATOM 487 SG CYS A 33 -3.964 15.823 -2.462 1.00 0.00 S ATOM 0 H CYS A 33 -3.287 16.069 0.336 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.478 17.601 -0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.850 14.599 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.136 15.297 -1.537 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.918 14.798 -3.261 1.00 0.00 H new ATOM 493 N GLY A 34 -7.521 17.021 0.659 1.00 0.00 N ATOM 494 CA GLY A 34 -8.668 16.939 1.577 1.00 0.00 C ATOM 495 C GLY A 34 -9.152 15.512 1.879 1.00 0.00 C ATOM 496 O GLY A 34 -9.724 15.267 2.941 1.00 0.00 O ATOM 0 H GLY A 34 -7.728 17.542 -0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.399 17.423 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.496 17.506 1.152 1.00 0.00 H new ATOM 500 N HIS A 35 -8.873 14.549 0.991 1.00 0.00 N ATOM 501 CA HIS A 35 -9.214 13.129 1.153 1.00 0.00 C ATOM 502 C HIS A 35 -8.508 12.442 2.340 1.00 0.00 C ATOM 503 O HIS A 35 -8.936 11.365 2.752 1.00 0.00 O ATOM 504 CB HIS A 35 -8.897 12.381 -0.149 1.00 0.00 C ATOM 505 CG HIS A 35 -9.586 12.944 -1.373 1.00 0.00 C ATOM 506 ND1 HIS A 35 -10.946 13.004 -1.589 1.00 0.00 N ATOM 507 CD2 HIS A 35 -8.979 13.492 -2.473 1.00 0.00 C ATOM 508 CE1 HIS A 35 -11.155 13.581 -2.787 1.00 0.00 C ATOM 509 NE2 HIS A 35 -9.983 13.900 -3.366 1.00 0.00 N ATOM 0 H HIS A 35 -8.389 14.742 0.114 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.280 13.089 1.378 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.819 12.400 -0.312 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.184 11.336 -0.033 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.915 13.592 -2.626 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.127 13.762 -3.222 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.850 14.349 -4.272 1.00 0.00 H new ATOM 517 N CYS A 36 -7.445 13.035 2.902 1.00 0.00 N ATOM 518 CA CYS A 36 -6.651 12.432 3.979 1.00 0.00 C ATOM 519 C CYS A 36 -7.472 11.998 5.211 1.00 0.00 C ATOM 520 O CYS A 36 -7.234 10.918 5.751 1.00 0.00 O ATOM 521 CB CYS A 36 -5.496 13.372 4.360 1.00 0.00 C ATOM 522 SG CYS A 36 -6.091 14.990 4.953 1.00 0.00 S ATOM 0 H CYS A 36 -7.110 13.956 2.618 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.246 11.500 3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.889 12.904 5.135 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.849 13.519 3.495 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.258 15.788 3.941 1.00 0.00 H new ATOM 528 N LYS A 37 -8.489 12.780 5.606 1.00 0.00 N ATOM 529 CA LYS A 37 -9.402 12.459 6.728 1.00 0.00 C ATOM 530 C LYS A 37 -10.346 11.279 6.445 1.00 0.00 C ATOM 531 O LYS A 37 -10.870 10.683 7.386 1.00 0.00 O ATOM 532 CB LYS A 37 -10.235 13.710 7.103 1.00 0.00 C ATOM 533 CG LYS A 37 -9.564 14.617 8.145 1.00 0.00 C ATOM 534 CD LYS A 37 -8.252 15.270 7.676 1.00 0.00 C ATOM 535 CE LYS A 37 -7.740 16.330 8.663 1.00 0.00 C ATOM 536 NZ LYS A 37 -7.298 15.734 9.953 1.00 0.00 N ATOM 0 H LYS A 37 -8.708 13.667 5.152 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.766 12.154 7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.427 14.290 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.203 13.388 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.264 15.403 8.428 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.363 14.031 9.042 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.492 14.500 7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.407 15.731 6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.909 16.872 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.529 17.058 8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.961 16.487 10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.097 15.239 10.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.527 15.059 9.777 1.00 0.00 H new ATOM 550 N ARG A 38 -10.552 10.932 5.169 1.00 0.00 N ATOM 551 CA ARG A 38 -11.481 9.882 4.711 1.00 0.00 C ATOM 552 C ARG A 38 -10.761 8.591 4.314 1.00 0.00 C ATOM 553 O ARG A 38 -11.276 7.505 4.581 1.00 0.00 O ATOM 554 CB ARG A 38 -12.330 10.418 3.545 1.00 0.00 C ATOM 555 CG ARG A 38 -13.203 11.616 3.957 1.00 0.00 C ATOM 556 CD ARG A 38 -14.054 12.095 2.777 1.00 0.00 C ATOM 557 NE ARG A 38 -14.897 13.242 3.161 1.00 0.00 N ATOM 558 CZ ARG A 38 -15.719 13.913 2.373 1.00 0.00 C ATOM 559 NH1 ARG A 38 -15.901 13.588 1.122 1.00 0.00 N ATOM 560 NH2 ARG A 38 -16.397 14.925 2.831 1.00 0.00 N ATOM 0 H ARG A 38 -10.062 11.387 4.398 1.00 0.00 H new ATOM 0 HA ARG A 38 -12.131 9.625 5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.673 10.715 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.969 9.620 3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.850 11.333 4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.570 12.430 4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.405 12.378 1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.684 11.279 2.424 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.840 13.548 4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.401 12.793 0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.543 14.129 0.543 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -16.297 15.207 3.806 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.029 15.436 2.215 1.00 0.00 H new ATOM 574 N LEU A 39 -9.565 8.695 3.729 1.00 0.00 N ATOM 575 CA LEU A 39 -8.743 7.560 3.293 1.00 0.00 C ATOM 576 C LEU A 39 -7.936 6.911 4.432 1.00 0.00 C ATOM 577 O LEU A 39 -7.857 5.683 4.495 1.00 0.00 O ATOM 578 CB LEU A 39 -7.794 8.052 2.185 1.00 0.00 C ATOM 579 CG LEU A 39 -6.948 6.931 1.554 1.00 0.00 C ATOM 580 CD1 LEU A 39 -7.795 5.950 0.738 1.00 0.00 C ATOM 581 CD2 LEU A 39 -5.904 7.555 0.627 1.00 0.00 C ATOM 0 H LEU A 39 -9.128 9.597 3.540 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.414 6.784 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.381 8.536 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.128 8.809 2.599 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.479 6.378 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.152 5.179 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.539 5.486 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.298 6.486 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.301 6.767 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.406 8.121 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.260 8.222 1.201 1.00 0.00 H new ATOM 593 N ALA A 40 -7.359 7.702 5.347 1.00 0.00 N ATOM 594 CA ALA A 40 -6.540 7.186 6.449 1.00 0.00 C ATOM 595 C ALA A 40 -7.215 6.087 7.313 1.00 0.00 C ATOM 596 O ALA A 40 -6.563 5.064 7.556 1.00 0.00 O ATOM 597 CB ALA A 40 -6.033 8.354 7.306 1.00 0.00 C ATOM 0 H ALA A 40 -7.448 8.718 5.343 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.698 6.671 5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.425 7.968 8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.431 9.022 6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.883 8.902 7.713 1.00 0.00 H new ATOM 603 N PRO A 41 -8.498 6.212 7.734 1.00 0.00 N ATOM 604 CA PRO A 41 -9.173 5.181 8.522 1.00 0.00 C ATOM 605 C PRO A 41 -9.542 3.936 7.703 1.00 0.00 C ATOM 606 O PRO A 41 -9.842 2.892 8.286 1.00 0.00 O ATOM 607 CB PRO A 41 -10.414 5.853 9.119 1.00 0.00 C ATOM 608 CG PRO A 41 -10.764 6.910 8.082 1.00 0.00 C ATOM 609 CD PRO A 41 -9.392 7.355 7.582 1.00 0.00 C ATOM 0 HA PRO A 41 -8.505 4.804 9.296 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.228 5.143 9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.204 6.297 10.092 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.375 6.501 7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.324 7.737 8.519 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.444 7.670 6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.030 8.208 8.155 1.00 0.00 H new ATOM 617 N GLU A 42 -9.518 4.001 6.367 1.00 0.00 N ATOM 618 CA GLU A 42 -9.817 2.844 5.515 1.00 0.00 C ATOM 619 C GLU A 42 -8.574 1.992 5.221 1.00 0.00 C ATOM 620 O GLU A 42 -8.659 0.763 5.232 1.00 0.00 O ATOM 621 CB GLU A 42 -10.459 3.312 4.201 1.00 0.00 C ATOM 622 CG GLU A 42 -11.856 3.899 4.430 1.00 0.00 C ATOM 623 CD GLU A 42 -12.618 4.000 3.098 1.00 0.00 C ATOM 624 OE1 GLU A 42 -13.254 2.994 2.708 1.00 0.00 O ATOM 625 OE2 GLU A 42 -12.579 5.060 2.431 1.00 0.00 O ATOM 0 H GLU A 42 -9.293 4.850 5.849 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.516 2.212 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.822 4.061 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.526 2.472 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.411 3.272 5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.773 4.886 4.885 1.00 0.00 H new ATOM 632 N TYR A 43 -7.403 2.601 5.012 1.00 0.00 N ATOM 633 CA TYR A 43 -6.193 1.818 4.747 1.00 0.00 C ATOM 634 C TYR A 43 -5.702 1.051 5.994 1.00 0.00 C ATOM 635 O TYR A 43 -5.226 -0.082 5.887 1.00 0.00 O ATOM 636 CB TYR A 43 -5.116 2.721 4.141 1.00 0.00 C ATOM 637 CG TYR A 43 -4.033 1.941 3.418 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.350 1.168 2.281 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.706 1.977 3.887 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.354 0.426 1.620 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.703 1.246 3.223 1.00 0.00 C ATOM 642 CZ TYR A 43 -2.022 0.469 2.089 1.00 0.00 C ATOM 643 OH TYR A 43 -1.047 -0.233 1.458 1.00 0.00 O ATOM 0 H TYR A 43 -7.268 3.612 5.021 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.434 1.045 4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.582 3.418 3.444 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.661 3.318 4.932 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.366 1.146 1.915 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.457 2.566 4.757 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.607 -0.174 0.758 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.685 1.280 3.583 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.171 0.131 1.704 1.00 0.00 H new ATOM 653 N GLU A 44 -5.886 1.597 7.206 1.00 0.00 N ATOM 654 CA GLU A 44 -5.639 0.853 8.449 1.00 0.00 C ATOM 655 C GLU A 44 -6.665 -0.261 8.694 1.00 0.00 C ATOM 656 O GLU A 44 -6.315 -1.324 9.210 1.00 0.00 O ATOM 657 CB GLU A 44 -5.536 1.809 9.649 1.00 0.00 C ATOM 658 CG GLU A 44 -6.852 2.468 10.085 1.00 0.00 C ATOM 659 CD GLU A 44 -6.623 3.374 11.314 1.00 0.00 C ATOM 660 OE1 GLU A 44 -6.273 4.572 11.153 1.00 0.00 O ATOM 661 OE2 GLU A 44 -6.791 2.891 12.460 1.00 0.00 O ATOM 0 H GLU A 44 -6.206 2.555 7.351 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.678 0.352 8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.128 1.258 10.496 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.820 2.594 9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.260 3.056 9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.588 1.700 10.324 1.00 0.00 H new ATOM 668 N ALA A 45 -7.917 -0.069 8.269 1.00 0.00 N ATOM 669 CA ALA A 45 -8.927 -1.128 8.263 1.00 0.00 C ATOM 670 C ALA A 45 -8.534 -2.269 7.309 1.00 0.00 C ATOM 671 O ALA A 45 -8.620 -3.428 7.699 1.00 0.00 O ATOM 672 CB ALA A 45 -10.308 -0.538 7.943 1.00 0.00 C ATOM 0 H ALA A 45 -8.258 0.826 7.919 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.983 -1.570 9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.052 -1.334 7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.571 0.203 8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.282 -0.063 6.962 1.00 0.00 H new ATOM 678 N ALA A 46 -8.005 -1.977 6.113 1.00 0.00 N ATOM 679 CA ALA A 46 -7.445 -3.003 5.226 1.00 0.00 C ATOM 680 C ALA A 46 -6.271 -3.760 5.872 1.00 0.00 C ATOM 681 O ALA A 46 -6.230 -4.989 5.835 1.00 0.00 O ATOM 682 CB ALA A 46 -7.009 -2.339 3.914 1.00 0.00 C ATOM 0 H ALA A 46 -7.954 -1.030 5.736 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.218 -3.746 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.591 -3.092 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.871 -1.871 3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.254 -1.581 4.123 1.00 0.00 H new ATOM 688 N ALA A 47 -5.346 -3.043 6.523 1.00 0.00 N ATOM 689 CA ALA A 47 -4.199 -3.642 7.217 1.00 0.00 C ATOM 690 C ALA A 47 -4.610 -4.489 8.435 1.00 0.00 C ATOM 691 O ALA A 47 -3.960 -5.487 8.738 1.00 0.00 O ATOM 692 CB ALA A 47 -3.238 -2.520 7.622 1.00 0.00 C ATOM 0 H ALA A 47 -5.373 -2.025 6.583 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.706 -4.334 6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.379 -2.946 8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.899 -1.992 6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.751 -1.823 8.284 1.00 0.00 H new ATOM 698 N THR A 48 -5.714 -4.133 9.097 1.00 0.00 N ATOM 699 CA THR A 48 -6.336 -4.920 10.180 1.00 0.00 C ATOM 700 C THR A 48 -7.050 -6.170 9.640 1.00 0.00 C ATOM 701 O THR A 48 -6.918 -7.257 10.206 1.00 0.00 O ATOM 702 CB THR A 48 -7.344 -4.052 10.962 1.00 0.00 C ATOM 703 OG1 THR A 48 -6.728 -2.871 11.425 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.923 -4.767 12.186 1.00 0.00 C ATOM 0 H THR A 48 -6.217 -3.269 8.894 1.00 0.00 H new ATOM 0 HA THR A 48 -5.535 -5.245 10.845 1.00 0.00 H new ATOM 0 HB THR A 48 -8.149 -3.835 10.260 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.626 -2.242 10.681 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.625 -4.106 12.695 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.441 -5.671 11.868 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.115 -5.033 12.868 1.00 0.00 H new ATOM 712 N ARG A 49 -7.784 -6.031 8.524 1.00 0.00 N ATOM 713 CA ARG A 49 -8.586 -7.108 7.901 1.00 0.00 C ATOM 714 C ARG A 49 -7.748 -8.135 7.129 1.00 0.00 C ATOM 715 O ARG A 49 -8.204 -9.263 6.931 1.00 0.00 O ATOM 716 CB ARG A 49 -9.672 -6.480 7.005 1.00 0.00 C ATOM 717 CG ARG A 49 -10.762 -5.792 7.851 1.00 0.00 C ATOM 718 CD ARG A 49 -11.683 -4.888 7.026 1.00 0.00 C ATOM 719 NE ARG A 49 -12.552 -5.655 6.115 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.424 -5.141 5.266 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.619 -3.863 5.135 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.152 -5.893 4.496 1.00 0.00 N ATOM 0 H ARG A 49 -7.841 -5.149 8.015 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.052 -7.674 8.708 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.217 -5.753 6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.124 -7.251 6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.362 -6.554 8.349 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.287 -5.200 8.633 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.301 -4.293 7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.079 -4.190 6.446 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.473 -6.672 6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.086 -3.205 5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.305 -3.518 4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.058 -6.908 4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.817 -5.468 3.850 1.00 0.00 H new ATOM 736 N LEU A 50 -6.513 -7.772 6.755 1.00 0.00 N ATOM 737 CA LEU A 50 -5.526 -8.626 6.079 1.00 0.00 C ATOM 738 C LEU A 50 -4.284 -8.902 6.958 1.00 0.00 C ATOM 739 O LEU A 50 -3.253 -9.351 6.451 1.00 0.00 O ATOM 740 CB LEU A 50 -5.135 -8.001 4.722 1.00 0.00 C ATOM 741 CG LEU A 50 -6.288 -7.740 3.731 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.730 -7.151 2.436 1.00 0.00 C ATOM 743 CD2 LEU A 50 -7.054 -9.018 3.382 1.00 0.00 C ATOM 0 H LEU A 50 -6.158 -6.831 6.924 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.989 -9.596 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.629 -7.055 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.411 -8.657 4.239 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.974 -7.046 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.547 -6.968 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.221 -6.212 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.024 -7.853 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.855 -8.782 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.373 -9.737 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.480 -9.446 4.289 1.00 0.00 H new ATOM 755 N LYS A 51 -4.349 -8.629 8.273 1.00 0.00 N ATOM 756 CA LYS A 51 -3.246 -8.830 9.227 1.00 0.00 C ATOM 757 C LYS A 51 -2.746 -10.287 9.225 1.00 0.00 C ATOM 758 O LYS A 51 -3.508 -11.214 9.501 1.00 0.00 O ATOM 759 CB LYS A 51 -3.722 -8.382 10.627 1.00 0.00 C ATOM 760 CG LYS A 51 -2.596 -8.285 11.674 1.00 0.00 C ATOM 761 CD LYS A 51 -1.558 -7.191 11.352 1.00 0.00 C ATOM 762 CE LYS A 51 -0.605 -7.025 12.543 1.00 0.00 C ATOM 763 NZ LYS A 51 0.435 -6.002 12.266 1.00 0.00 N ATOM 0 H LYS A 51 -5.190 -8.254 8.711 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.391 -8.224 8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.207 -7.410 10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.476 -9.084 10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.034 -8.084 12.652 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.090 -9.248 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.996 -7.460 10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.061 -6.248 11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.173 -6.738 13.428 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.128 -7.980 12.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.063 -5.914 13.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.992 -6.289 11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.020 -5.086 12.078 1.00 0.00 H new ATOM 777 N GLY A 52 -1.475 -10.491 8.870 1.00 0.00 N ATOM 778 CA GLY A 52 -0.856 -11.816 8.704 1.00 0.00 C ATOM 779 C GLY A 52 -1.144 -12.509 7.359 1.00 0.00 C ATOM 780 O GLY A 52 -0.638 -13.607 7.116 1.00 0.00 O ATOM 0 H GLY A 52 -0.829 -9.724 8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.223 -11.712 8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.201 -12.464 9.510 1.00 0.00 H new ATOM 784 N ILE A 53 -1.926 -11.873 6.479 1.00 0.00 N ATOM 785 CA ILE A 53 -2.294 -12.351 5.129 1.00 0.00 C ATOM 786 C ILE A 53 -1.578 -11.512 4.049 1.00 0.00 C ATOM 787 O ILE A 53 -1.032 -12.073 3.096 1.00 0.00 O ATOM 788 CB ILE A 53 -3.833 -12.315 4.927 1.00 0.00 C ATOM 789 CG1 ILE A 53 -4.641 -12.949 6.080 1.00 0.00 C ATOM 790 CG2 ILE A 53 -4.238 -12.968 3.592 1.00 0.00 C ATOM 791 CD1 ILE A 53 -4.339 -14.425 6.363 1.00 0.00 C ATOM 0 H ILE A 53 -2.343 -10.967 6.693 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.970 -13.387 5.032 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.086 -11.255 4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.454 -12.377 6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.703 -12.850 5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.322 -12.927 3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.768 -12.432 2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.912 -14.008 3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.959 -14.771 7.190 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.555 -15.018 5.474 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.287 -14.537 6.627 1.00 0.00 H new ATOM 803 N VAL A 54 -1.517 -10.184 4.236 1.00 0.00 N ATOM 804 CA VAL A 54 -0.764 -9.223 3.401 1.00 0.00 C ATOM 805 C VAL A 54 -0.219 -8.091 4.296 1.00 0.00 C ATOM 806 O VAL A 54 -1.018 -7.402 4.935 1.00 0.00 O ATOM 807 CB VAL A 54 -1.626 -8.598 2.278 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.729 -7.861 1.278 1.00 0.00 C ATOM 809 CG2 VAL A 54 -2.437 -9.612 1.463 1.00 0.00 C ATOM 0 H VAL A 54 -2.010 -9.728 5.004 1.00 0.00 H new ATOM 0 HA VAL A 54 0.045 -9.777 2.925 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.320 -7.937 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.344 -7.424 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.183 -7.070 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.021 -8.563 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.011 -9.088 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.760 -10.321 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.117 -10.149 2.124 1.00 0.00 H new ATOM 819 N PRO A 55 1.110 -7.870 4.376 1.00 0.00 N ATOM 820 CA PRO A 55 1.675 -6.715 5.068 1.00 0.00 C ATOM 821 C PRO A 55 1.466 -5.430 4.246 1.00 0.00 C ATOM 822 O PRO A 55 1.736 -5.398 3.042 1.00 0.00 O ATOM 823 CB PRO A 55 3.156 -7.041 5.277 1.00 0.00 C ATOM 824 CG PRO A 55 3.489 -7.965 4.109 1.00 0.00 C ATOM 825 CD PRO A 55 2.173 -8.692 3.812 1.00 0.00 C ATOM 0 HA PRO A 55 1.187 -6.529 6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.770 -6.141 5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.327 -7.530 6.236 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.836 -7.402 3.243 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.281 -8.667 4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.035 -8.822 2.739 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.171 -9.687 4.256 1.00 0.00 H new ATOM 833 N LEU A 56 0.998 -4.366 4.908 1.00 0.00 N ATOM 834 CA LEU A 56 0.625 -3.079 4.298 1.00 0.00 C ATOM 835 C LEU A 56 1.473 -1.928 4.881 1.00 0.00 C ATOM 836 O LEU A 56 1.769 -1.892 6.082 1.00 0.00 O ATOM 837 CB LEU A 56 -0.882 -2.808 4.515 1.00 0.00 C ATOM 838 CG LEU A 56 -1.783 -3.178 3.321 1.00 0.00 C ATOM 839 CD1 LEU A 56 -1.873 -4.685 3.075 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.201 -2.680 3.574 1.00 0.00 C ATOM 0 H LEU A 56 0.863 -4.375 5.919 1.00 0.00 H new ATOM 0 HA LEU A 56 0.822 -3.132 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.215 -3.366 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.018 -1.750 4.741 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.330 -2.709 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.523 -4.876 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.878 -5.080 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.283 -5.174 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.836 -2.943 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.593 -3.143 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.190 -1.597 3.696 1.00 0.00 H new ATOM 852 N ALA A 57 1.827 -0.966 4.031 1.00 0.00 N ATOM 853 CA ALA A 57 2.679 0.177 4.357 1.00 0.00 C ATOM 854 C ALA A 57 2.252 1.449 3.609 1.00 0.00 C ATOM 855 O ALA A 57 1.599 1.371 2.567 1.00 0.00 O ATOM 856 CB ALA A 57 4.118 -0.189 3.971 1.00 0.00 C ATOM 0 H ALA A 57 1.517 -0.961 3.059 1.00 0.00 H new ATOM 0 HA ALA A 57 2.593 0.390 5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.780 0.645 4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.433 -1.069 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.165 -0.404 2.903 1.00 0.00 H new ATOM 862 N LYS A 58 2.673 2.628 4.081 1.00 0.00 N ATOM 863 CA LYS A 58 2.466 3.892 3.361 1.00 0.00 C ATOM 864 C LYS A 58 3.637 4.870 3.455 1.00 0.00 C ATOM 865 O LYS A 58 4.502 4.758 4.328 1.00 0.00 O ATOM 866 CB LYS A 58 1.101 4.509 3.738 1.00 0.00 C ATOM 867 CG LYS A 58 0.873 4.838 5.224 1.00 0.00 C ATOM 868 CD LYS A 58 1.558 6.082 5.799 1.00 0.00 C ATOM 869 CE LYS A 58 1.145 7.357 5.045 1.00 0.00 C ATOM 870 NZ LYS A 58 1.557 8.577 5.782 1.00 0.00 N ATOM 0 H LYS A 58 3.165 2.734 4.968 1.00 0.00 H new ATOM 0 HA LYS A 58 2.435 3.653 2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.973 5.427 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.318 3.821 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.200 4.945 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.197 3.978 5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.302 6.184 6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.640 5.960 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.598 7.358 4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.064 7.364 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.388 9.415 5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.004 8.656 6.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.569 8.517 6.015 1.00 0.00 H new ATOM 884 N VAL A 59 3.626 5.822 2.519 1.00 0.00 N ATOM 885 CA VAL A 59 4.660 6.842 2.266 1.00 0.00 C ATOM 886 C VAL A 59 3.993 8.120 1.731 1.00 0.00 C ATOM 887 O VAL A 59 3.060 8.049 0.923 1.00 0.00 O ATOM 888 CB VAL A 59 5.686 6.333 1.225 1.00 0.00 C ATOM 889 CG1 VAL A 59 6.817 7.341 0.970 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.354 5.008 1.621 1.00 0.00 C ATOM 0 H VAL A 59 2.843 5.911 1.871 1.00 0.00 H new ATOM 0 HA VAL A 59 5.180 7.051 3.201 1.00 0.00 H new ATOM 0 HB VAL A 59 5.088 6.189 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.508 6.933 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.395 8.274 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.351 7.532 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.061 4.711 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.883 5.135 2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.593 4.236 1.733 1.00 0.00 H new ATOM 900 N ASP A 60 4.475 9.294 2.148 1.00 0.00 N ATOM 901 CA ASP A 60 3.915 10.592 1.742 1.00 0.00 C ATOM 902 C ASP A 60 4.748 11.228 0.619 1.00 0.00 C ATOM 903 O ASP A 60 5.910 11.580 0.833 1.00 0.00 O ATOM 904 CB ASP A 60 3.849 11.529 2.955 1.00 0.00 C ATOM 905 CG ASP A 60 3.052 10.924 4.120 1.00 0.00 C ATOM 906 OD1 ASP A 60 1.824 10.706 3.993 1.00 0.00 O ATOM 907 OD2 ASP A 60 3.659 10.625 5.177 1.00 0.00 O ATOM 0 H ASP A 60 5.270 9.374 2.781 1.00 0.00 H new ATOM 0 HA ASP A 60 2.908 10.429 1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.861 11.757 3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.392 12.473 2.657 1.00 0.00 H new ATOM 912 N CYS A 61 4.168 11.395 -0.573 1.00 0.00 N ATOM 913 CA CYS A 61 4.811 12.010 -1.738 1.00 0.00 C ATOM 914 C CYS A 61 5.279 13.450 -1.470 1.00 0.00 C ATOM 915 O CYS A 61 6.377 13.833 -1.875 1.00 0.00 O ATOM 916 CB CYS A 61 3.806 11.994 -2.900 1.00 0.00 C ATOM 917 SG CYS A 61 4.382 12.827 -4.412 1.00 0.00 S ATOM 0 H CYS A 61 3.210 11.097 -0.760 1.00 0.00 H new ATOM 0 HA CYS A 61 5.705 11.435 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.565 10.958 -3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.881 12.468 -2.570 1.00 0.00 H new ATOM 922 N THR A 62 4.478 14.248 -0.751 1.00 0.00 N ATOM 923 CA THR A 62 4.795 15.653 -0.430 1.00 0.00 C ATOM 924 C THR A 62 5.979 15.798 0.537 1.00 0.00 C ATOM 925 O THR A 62 6.658 16.829 0.523 1.00 0.00 O ATOM 926 CB THR A 62 3.581 16.381 0.160 1.00 0.00 C ATOM 927 OG1 THR A 62 3.124 15.716 1.321 1.00 0.00 O ATOM 928 CG2 THR A 62 2.414 16.436 -0.822 1.00 0.00 C ATOM 0 H THR A 62 3.584 13.937 -0.371 1.00 0.00 H new ATOM 0 HA THR A 62 5.075 16.109 -1.379 1.00 0.00 H new ATOM 0 HB THR A 62 3.911 17.394 0.391 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.350 16.193 1.688 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.576 16.960 -0.362 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.722 16.965 -1.724 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.109 15.422 -1.082 1.00 0.00 H new ATOM 936 N ALA A 63 6.254 14.763 1.341 1.00 0.00 N ATOM 937 CA ALA A 63 7.430 14.677 2.211 1.00 0.00 C ATOM 938 C ALA A 63 8.623 13.909 1.585 1.00 0.00 C ATOM 939 O ALA A 63 9.744 13.981 2.097 1.00 0.00 O ATOM 940 CB ALA A 63 6.998 14.046 3.537 1.00 0.00 C ATOM 0 H ALA A 63 5.650 13.944 1.405 1.00 0.00 H new ATOM 0 HA ALA A 63 7.806 15.688 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.858 13.972 4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.232 14.666 4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.595 13.050 3.352 1.00 0.00 H new ATOM 946 N ASN A 64 8.403 13.193 0.477 1.00 0.00 N ATOM 947 CA ASN A 64 9.386 12.340 -0.207 1.00 0.00 C ATOM 948 C ASN A 64 9.271 12.446 -1.740 1.00 0.00 C ATOM 949 O ASN A 64 8.891 11.509 -2.449 1.00 0.00 O ATOM 950 CB ASN A 64 9.266 10.881 0.227 1.00 0.00 C ATOM 951 CG ASN A 64 9.347 10.623 1.722 1.00 0.00 C ATOM 952 OD1 ASN A 64 10.395 10.334 2.288 1.00 0.00 O ATOM 953 ND2 ASN A 64 8.221 10.685 2.405 1.00 0.00 N ATOM 0 H ASN A 64 7.496 13.191 0.011 1.00 0.00 H new ATOM 0 HA ASN A 64 10.369 12.707 0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.316 10.491 -0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.055 10.310 -0.264 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.221 10.492 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.350 10.926 1.932 1.00 0.00 H new ATOM 960 N THR A 65 9.595 13.624 -2.246 1.00 0.00 N ATOM 961 CA THR A 65 9.357 14.034 -3.648 1.00 0.00 C ATOM 962 C THR A 65 10.226 13.247 -4.622 1.00 0.00 C ATOM 963 O THR A 65 9.734 12.763 -5.642 1.00 0.00 O ATOM 964 CB THR A 65 9.598 15.543 -3.851 1.00 0.00 C ATOM 965 OG1 THR A 65 9.056 16.298 -2.783 1.00 0.00 O ATOM 966 CG2 THR A 65 8.967 16.061 -5.144 1.00 0.00 C ATOM 0 H THR A 65 10.044 14.352 -1.690 1.00 0.00 H new ATOM 0 HA THR A 65 8.310 13.815 -3.856 1.00 0.00 H new ATOM 0 HB THR A 65 10.680 15.665 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.225 17.251 -2.937 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.164 17.129 -5.243 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.396 15.533 -5.995 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.891 15.891 -5.117 1.00 0.00 H new ATOM 974 N ASN A 66 11.505 13.056 -4.280 1.00 0.00 N ATOM 975 CA ASN A 66 12.448 12.296 -5.103 1.00 0.00 C ATOM 976 C ASN A 66 12.017 10.824 -5.233 1.00 0.00 C ATOM 977 O ASN A 66 11.976 10.286 -6.336 1.00 0.00 O ATOM 978 CB ASN A 66 13.858 12.433 -4.505 1.00 0.00 C ATOM 979 CG ASN A 66 14.438 13.839 -4.645 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.251 14.534 -5.637 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.146 14.309 -3.643 1.00 0.00 N ATOM 0 H ASN A 66 11.915 13.426 -3.422 1.00 0.00 H new ATOM 0 HA ASN A 66 12.456 12.702 -6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 66 13.825 12.164 -3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.524 11.722 -4.995 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.538 15.249 -3.692 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.304 13.733 -2.816 1.00 0.00 H new ATOM 988 N THR A 67 11.601 10.207 -4.119 1.00 0.00 N ATOM 989 CA THR A 67 11.029 8.848 -4.094 1.00 0.00 C ATOM 990 C THR A 67 9.745 8.781 -4.918 1.00 0.00 C ATOM 991 O THR A 67 9.586 7.895 -5.749 1.00 0.00 O ATOM 992 CB THR A 67 10.725 8.412 -2.652 1.00 0.00 C ATOM 993 OG1 THR A 67 11.779 8.762 -1.784 1.00 0.00 O ATOM 994 CG2 THR A 67 10.497 6.909 -2.535 1.00 0.00 C ATOM 0 H THR A 67 11.652 10.640 -3.197 1.00 0.00 H new ATOM 0 HA THR A 67 11.768 8.174 -4.527 1.00 0.00 H new ATOM 0 HB THR A 67 9.810 8.933 -2.370 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.572 8.229 -2.001 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.286 6.653 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.652 6.620 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.390 6.379 -2.865 1.00 0.00 H new ATOM 1002 N CYS A 68 8.852 9.759 -4.752 1.00 0.00 N ATOM 1003 CA CYS A 68 7.569 9.837 -5.455 1.00 0.00 C ATOM 1004 C CYS A 68 7.746 9.898 -6.987 1.00 0.00 C ATOM 1005 O CYS A 68 7.073 9.180 -7.729 1.00 0.00 O ATOM 1006 CB CYS A 68 6.821 11.060 -4.900 1.00 0.00 C ATOM 1007 SG CYS A 68 5.158 11.338 -5.555 1.00 0.00 S ATOM 0 H CYS A 68 9.004 10.537 -4.110 1.00 0.00 H new ATOM 0 HA CYS A 68 6.986 8.933 -5.279 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.751 10.957 -3.817 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.421 11.948 -5.098 1.00 0.00 H new ATOM 1012 N ASN A 69 8.712 10.697 -7.457 1.00 0.00 N ATOM 1013 CA ASN A 69 9.030 10.827 -8.890 1.00 0.00 C ATOM 1014 C ASN A 69 9.768 9.594 -9.436 1.00 0.00 C ATOM 1015 O ASN A 69 9.460 9.129 -10.536 1.00 0.00 O ATOM 1016 CB ASN A 69 9.823 12.123 -9.127 1.00 0.00 C ATOM 1017 CG ASN A 69 8.935 13.354 -9.157 1.00 0.00 C ATOM 1018 OD1 ASN A 69 8.119 13.542 -8.146 1.00 0.00 O flip ATOM 1019 ND2 ASN A 69 8.948 14.146 -10.092 1.00 0.00 N flip ATOM 0 H ASN A 69 9.299 11.275 -6.855 1.00 0.00 H new ATOM 0 HA ASN A 69 8.094 10.884 -9.446 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.569 12.237 -8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.363 12.046 -10.070 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.583 13.998 -10.877 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.324 14.953 -10.086 1.00 0.00 H new ATOM 1026 N LYS A 70 10.691 9.019 -8.650 1.00 0.00 N ATOM 1027 CA LYS A 70 11.403 7.770 -8.967 1.00 0.00 C ATOM 1028 C LYS A 70 10.469 6.562 -9.080 1.00 0.00 C ATOM 1029 O LYS A 70 10.741 5.658 -9.875 1.00 0.00 O ATOM 1030 CB LYS A 70 12.495 7.553 -7.903 1.00 0.00 C ATOM 1031 CG LYS A 70 13.377 6.321 -8.162 1.00 0.00 C ATOM 1032 CD LYS A 70 14.503 6.235 -7.121 1.00 0.00 C ATOM 1033 CE LYS A 70 15.381 5.009 -7.402 1.00 0.00 C ATOM 1034 NZ LYS A 70 16.505 4.902 -6.436 1.00 0.00 N ATOM 0 H LYS A 70 10.970 9.419 -7.754 1.00 0.00 H new ATOM 0 HA LYS A 70 11.858 7.866 -9.953 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.128 8.439 -7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.022 7.451 -6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.769 5.417 -8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.804 6.376 -9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.108 7.141 -7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.079 6.168 -6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.772 4.107 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.777 5.070 -8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.075 4.061 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.101 5.752 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.127 4.818 -5.471 1.00 0.00 H new ATOM 1048 N TYR A 71 9.357 6.564 -8.336 1.00 0.00 N ATOM 1049 CA TYR A 71 8.414 5.428 -8.283 1.00 0.00 C ATOM 1050 C TYR A 71 7.249 5.580 -9.272 1.00 0.00 C ATOM 1051 O TYR A 71 6.501 4.629 -9.502 1.00 0.00 O ATOM 1052 CB TYR A 71 7.911 5.206 -6.844 1.00 0.00 C ATOM 1053 CG TYR A 71 8.863 4.424 -5.947 1.00 0.00 C ATOM 1054 CD1 TYR A 71 10.200 4.836 -5.794 1.00 0.00 C ATOM 1055 CD2 TYR A 71 8.404 3.281 -5.266 1.00 0.00 C ATOM 1056 CE1 TYR A 71 11.067 4.134 -4.933 1.00 0.00 C ATOM 1057 CE2 TYR A 71 9.263 2.580 -4.398 1.00 0.00 C ATOM 1058 CZ TYR A 71 10.597 3.009 -4.222 1.00 0.00 C ATOM 1059 OH TYR A 71 11.432 2.347 -3.374 1.00 0.00 O ATOM 0 H TYR A 71 9.080 7.352 -7.751 1.00 0.00 H new ATOM 0 HA TYR A 71 8.963 4.539 -8.595 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.719 6.177 -6.387 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.958 4.679 -6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.563 5.695 -6.339 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.389 2.940 -5.410 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.091 4.457 -4.817 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.901 1.713 -3.866 1.00 0.00 H new ATOM 0 HH TYR A 71 10.940 1.627 -2.927 1.00 0.00 H new ATOM 1069 N GLY A 72 7.105 6.755 -9.884 1.00 0.00 N ATOM 1070 CA GLY A 72 6.127 7.030 -10.945 1.00 0.00 C ATOM 1071 C GLY A 72 4.758 7.451 -10.410 1.00 0.00 C ATOM 1072 O GLY A 72 3.744 7.284 -11.085 1.00 0.00 O ATOM 0 H GLY A 72 7.679 7.566 -9.652 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.514 7.817 -11.592 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.010 6.139 -11.562 1.00 0.00 H new ATOM 1076 N VAL A 73 4.719 7.988 -9.186 1.00 0.00 N ATOM 1077 CA VAL A 73 3.511 8.437 -8.474 1.00 0.00 C ATOM 1078 C VAL A 73 3.125 9.855 -8.956 1.00 0.00 C ATOM 1079 O VAL A 73 3.073 10.825 -8.201 1.00 0.00 O ATOM 1080 CB VAL A 73 3.697 8.306 -6.946 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.409 8.589 -6.162 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.158 6.895 -6.560 1.00 0.00 C ATOM 0 H VAL A 73 5.567 8.129 -8.637 1.00 0.00 H new ATOM 0 HA VAL A 73 2.665 7.792 -8.711 1.00 0.00 H new ATOM 0 HB VAL A 73 4.451 9.050 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.602 8.482 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.072 9.605 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.636 7.882 -6.464 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.280 6.835 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.413 6.168 -6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.110 6.678 -7.045 1.00 0.00 H new ATOM 1092 N SER A 74 2.883 9.973 -10.261 1.00 0.00 N ATOM 1093 CA SER A 74 2.395 11.200 -10.929 1.00 0.00 C ATOM 1094 C SER A 74 1.014 11.701 -10.440 1.00 0.00 C ATOM 1095 O SER A 74 0.600 12.815 -10.774 1.00 0.00 O ATOM 1096 CB SER A 74 2.331 10.967 -12.446 1.00 0.00 C ATOM 1097 OG SER A 74 3.588 10.526 -12.936 1.00 0.00 O ATOM 0 H SER A 74 3.022 9.199 -10.911 1.00 0.00 H new ATOM 0 HA SER A 74 3.111 11.979 -10.668 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.565 10.226 -12.674 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.041 11.889 -12.949 1.00 0.00 H new ATOM 0 HG SER A 74 3.529 10.381 -13.903 1.00 0.00 H new ATOM 1103 N GLY A 75 0.308 10.900 -9.637 1.00 0.00 N ATOM 1104 CA GLY A 75 -0.919 11.213 -8.919 1.00 0.00 C ATOM 1105 C GLY A 75 -1.138 10.179 -7.810 1.00 0.00 C ATOM 1106 O GLY A 75 -0.409 9.188 -7.699 1.00 0.00 O ATOM 0 H GLY A 75 0.608 9.941 -9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.858 12.214 -8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.766 11.211 -9.606 1.00 0.00 H new ATOM 1110 N TYR A 76 -2.133 10.425 -6.968 1.00 0.00 N ATOM 1111 CA TYR A 76 -2.378 9.680 -5.725 1.00 0.00 C ATOM 1112 C TYR A 76 -3.874 9.597 -5.331 1.00 0.00 C ATOM 1113 O TYR A 76 -4.662 10.454 -5.744 1.00 0.00 O ATOM 1114 CB TYR A 76 -1.533 10.276 -4.576 1.00 0.00 C ATOM 1115 CG TYR A 76 -1.090 11.721 -4.727 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -2.033 12.762 -4.674 1.00 0.00 C ATOM 1117 CD2 TYR A 76 0.269 12.015 -4.939 1.00 0.00 C ATOM 1118 CE1 TYR A 76 -1.622 14.097 -4.860 1.00 0.00 C ATOM 1119 CE2 TYR A 76 0.688 13.347 -5.104 1.00 0.00 C ATOM 1120 CZ TYR A 76 -0.255 14.396 -5.073 1.00 0.00 C ATOM 1121 OH TYR A 76 0.155 15.685 -5.232 1.00 0.00 O ATOM 0 H TYR A 76 -2.814 11.167 -7.129 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.069 8.652 -5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.107 10.192 -3.654 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -0.643 9.659 -4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.074 12.538 -4.491 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.993 11.215 -4.975 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.351 14.893 -4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.734 13.568 -5.255 1.00 0.00 H new ATOM 0 HH TYR A 76 1.125 15.705 -5.367 1.00 0.00 H new ATOM 1131 N PRO A 77 -4.276 8.602 -4.501 1.00 0.00 N ATOM 1132 CA PRO A 77 -3.445 7.504 -3.990 1.00 0.00 C ATOM 1133 C PRO A 77 -3.023 6.509 -5.089 1.00 0.00 C ATOM 1134 O PRO A 77 -3.798 6.193 -5.997 1.00 0.00 O ATOM 1135 CB PRO A 77 -4.289 6.810 -2.911 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.728 7.082 -3.345 1.00 0.00 C ATOM 1137 CD PRO A 77 -5.639 8.462 -3.998 1.00 0.00 C ATOM 0 HA PRO A 77 -2.508 7.893 -3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.080 5.741 -2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.086 7.217 -1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.087 6.327 -4.045 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.412 7.081 -2.496 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.362 8.554 -4.809 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.868 9.247 -3.277 1.00 0.00 H new ATOM 1145 N THR A 78 -1.797 5.998 -4.964 1.00 0.00 N ATOM 1146 CA THR A 78 -1.191 5.002 -5.862 1.00 0.00 C ATOM 1147 C THR A 78 -0.717 3.823 -5.023 1.00 0.00 C ATOM 1148 O THR A 78 0.123 3.986 -4.143 1.00 0.00 O ATOM 1149 CB THR A 78 -0.043 5.608 -6.681 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.581 6.447 -7.687 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.802 4.575 -7.429 1.00 0.00 C ATOM 0 H THR A 78 -1.172 6.274 -4.207 1.00 0.00 H new ATOM 0 HA THR A 78 -1.934 4.661 -6.583 1.00 0.00 H new ATOM 0 HB THR A 78 0.584 6.128 -5.956 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.392 7.383 -7.467 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.591 5.083 -7.983 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.248 3.883 -6.714 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.170 4.022 -8.123 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.255 2.635 -5.293 1.00 0.00 N ATOM 1160 CA LEU A 79 -0.980 1.416 -4.526 1.00 0.00 C ATOM 1161 C LEU A 79 -0.190 0.406 -5.375 1.00 0.00 C ATOM 1162 O LEU A 79 -0.591 0.097 -6.503 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.303 0.807 -4.030 1.00 0.00 C ATOM 1164 CG LEU A 79 -3.049 1.579 -2.921 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -4.006 2.648 -3.456 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -3.887 0.592 -2.110 1.00 0.00 C ATOM 0 H LEU A 79 -1.906 2.487 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.367 1.670 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.973 0.707 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.099 -0.200 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.283 2.076 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.495 3.150 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.446 3.378 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.759 2.178 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.419 1.127 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.607 0.101 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.234 -0.157 -1.662 1.00 0.00 H new ATOM 1178 N LYS A 80 0.907 -0.132 -4.834 1.00 0.00 N ATOM 1179 CA LYS A 80 1.844 -1.028 -5.530 1.00 0.00 C ATOM 1180 C LYS A 80 2.145 -2.313 -4.757 1.00 0.00 C ATOM 1181 O LYS A 80 2.145 -2.334 -3.527 1.00 0.00 O ATOM 1182 CB LYS A 80 3.136 -0.274 -5.888 1.00 0.00 C ATOM 1183 CG LYS A 80 2.925 0.668 -7.088 1.00 0.00 C ATOM 1184 CD LYS A 80 4.256 1.199 -7.632 1.00 0.00 C ATOM 1185 CE LYS A 80 4.047 1.805 -9.028 1.00 0.00 C ATOM 1186 NZ LYS A 80 5.331 2.070 -9.713 1.00 0.00 N ATOM 0 H LYS A 80 1.179 0.048 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 80 1.351 -1.347 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.473 0.302 -5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.924 -0.990 -6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.394 0.137 -7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.295 1.505 -6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.660 1.952 -6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.986 0.391 -7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.447 1.125 -9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.484 2.734 -8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.174 2.116 -10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.721 2.975 -9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.003 1.305 -9.500 1.00 0.00 H new ATOM 1200 N ILE A 81 2.410 -3.380 -5.510 1.00 0.00 N ATOM 1201 CA ILE A 81 2.649 -4.755 -5.041 1.00 0.00 C ATOM 1202 C ILE A 81 4.089 -5.146 -5.391 1.00 0.00 C ATOM 1203 O ILE A 81 4.537 -4.975 -6.529 1.00 0.00 O ATOM 1204 CB ILE A 81 1.623 -5.736 -5.672 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.232 -5.673 -5.000 1.00 0.00 C ATOM 1206 CG2 ILE A 81 2.090 -7.202 -5.570 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.571 -4.391 -5.251 1.00 0.00 C ATOM 0 H ILE A 81 2.468 -3.309 -6.526 1.00 0.00 H new ATOM 0 HA ILE A 81 2.517 -4.809 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 81 1.550 -5.417 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.357 -6.522 -5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.363 -5.793 -3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.343 -7.854 -6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.039 -7.319 -6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.218 -7.471 -4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.528 -4.454 -4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.013 -3.533 -4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.744 -4.273 -6.321 1.00 0.00 H new ATOM 1219 N PHE A 82 4.791 -5.733 -4.420 1.00 0.00 N ATOM 1220 CA PHE A 82 6.180 -6.173 -4.537 1.00 0.00 C ATOM 1221 C PHE A 82 6.300 -7.639 -4.105 1.00 0.00 C ATOM 1222 O PHE A 82 6.277 -7.956 -2.916 1.00 0.00 O ATOM 1223 CB PHE A 82 7.098 -5.284 -3.690 1.00 0.00 C ATOM 1224 CG PHE A 82 7.223 -3.826 -4.105 1.00 0.00 C ATOM 1225 CD1 PHE A 82 6.158 -2.925 -3.906 1.00 0.00 C ATOM 1226 CD2 PHE A 82 8.432 -3.353 -4.642 1.00 0.00 C ATOM 1227 CE1 PHE A 82 6.296 -1.575 -4.286 1.00 0.00 C ATOM 1228 CE2 PHE A 82 8.572 -2.006 -5.012 1.00 0.00 C ATOM 1229 CZ PHE A 82 7.500 -1.115 -4.842 1.00 0.00 C ATOM 0 H PHE A 82 4.393 -5.921 -3.500 1.00 0.00 H new ATOM 0 HA PHE A 82 6.491 -6.087 -5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.742 -5.314 -2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.095 -5.724 -3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.236 -3.269 -3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.262 -4.032 -4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.471 -0.891 -4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.505 -1.655 -5.428 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.601 -0.081 -5.138 1.00 0.00 H new ATOM 1239 N ARG A 83 6.404 -8.550 -5.071 1.00 0.00 N ATOM 1240 CA ARG A 83 6.536 -9.999 -4.834 1.00 0.00 C ATOM 1241 C ARG A 83 7.978 -10.344 -4.457 1.00 0.00 C ATOM 1242 O ARG A 83 8.913 -9.927 -5.137 1.00 0.00 O ATOM 1243 CB ARG A 83 6.058 -10.785 -6.069 1.00 0.00 C ATOM 1244 CG ARG A 83 5.881 -12.279 -5.753 1.00 0.00 C ATOM 1245 CD ARG A 83 5.403 -13.079 -6.971 1.00 0.00 C ATOM 1246 NE ARG A 83 4.020 -12.720 -7.357 1.00 0.00 N ATOM 1247 CZ ARG A 83 3.375 -13.114 -8.442 1.00 0.00 C ATOM 1248 NH1 ARG A 83 3.910 -13.913 -9.324 1.00 0.00 N ATOM 1249 NH2 ARG A 83 2.161 -12.705 -8.671 1.00 0.00 N ATOM 0 H ARG A 83 6.400 -8.304 -6.061 1.00 0.00 H new ATOM 0 HA ARG A 83 5.901 -10.288 -3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.113 -10.372 -6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.778 -10.666 -6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.828 -12.688 -5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.163 -12.394 -4.941 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.073 -12.897 -7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.453 -14.145 -6.748 1.00 0.00 H new ATOM 0 HE ARG A 83 3.512 -12.105 -6.721 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.861 -14.258 -9.190 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.378 -14.193 -10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.702 -12.077 -8.012 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.669 -13.013 -9.510 1.00 0.00 H new ATOM 1263 N ASP A 84 8.140 -11.061 -3.344 1.00 0.00 N ATOM 1264 CA ASP A 84 9.422 -11.400 -2.695 1.00 0.00 C ATOM 1265 C ASP A 84 10.447 -10.238 -2.587 1.00 0.00 C ATOM 1266 O ASP A 84 11.661 -10.454 -2.529 1.00 0.00 O ATOM 1267 CB ASP A 84 9.983 -12.724 -3.251 1.00 0.00 C ATOM 1268 CG ASP A 84 10.427 -12.687 -4.728 1.00 0.00 C ATOM 1269 OD1 ASP A 84 11.606 -12.370 -5.018 1.00 0.00 O ATOM 1270 OD2 ASP A 84 9.615 -13.069 -5.609 1.00 0.00 O ATOM 0 H ASP A 84 7.342 -11.445 -2.838 1.00 0.00 H new ATOM 0 HA ASP A 84 9.198 -11.571 -1.642 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.835 -13.022 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.223 -13.497 -3.137 1.00 0.00 H new ATOM 1275 N GLY A 85 9.951 -8.990 -2.523 1.00 0.00 N ATOM 1276 CA GLY A 85 10.747 -7.782 -2.264 1.00 0.00 C ATOM 1277 C GLY A 85 11.082 -6.920 -3.492 1.00 0.00 C ATOM 1278 O GLY A 85 11.957 -6.057 -3.411 1.00 0.00 O ATOM 0 H GLY A 85 8.959 -8.791 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 85 10.209 -7.163 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.681 -8.081 -1.789 1.00 0.00 H new ATOM 1282 N GLU A 86 10.411 -7.133 -4.624 1.00 0.00 N ATOM 1283 CA GLU A 86 10.635 -6.414 -5.893 1.00 0.00 C ATOM 1284 C GLU A 86 9.304 -6.177 -6.620 1.00 0.00 C ATOM 1285 O GLU A 86 8.420 -7.031 -6.584 1.00 0.00 O ATOM 1286 CB GLU A 86 11.575 -7.207 -6.821 1.00 0.00 C ATOM 1287 CG GLU A 86 13.012 -7.319 -6.289 1.00 0.00 C ATOM 1288 CD GLU A 86 13.941 -7.960 -7.335 1.00 0.00 C ATOM 1289 OE1 GLU A 86 14.512 -7.230 -8.185 1.00 0.00 O ATOM 1290 OE2 GLU A 86 14.139 -9.201 -7.313 1.00 0.00 O ATOM 0 H GLU A 86 9.671 -7.832 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 86 11.096 -5.457 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.170 -8.209 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.595 -6.728 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.384 -6.329 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.020 -7.915 -5.377 1.00 0.00 H new ATOM 1297 N GLU A 87 9.147 -5.018 -7.271 1.00 0.00 N ATOM 1298 CA GLU A 87 7.887 -4.594 -7.913 1.00 0.00 C ATOM 1299 C GLU A 87 7.354 -5.678 -8.869 1.00 0.00 C ATOM 1300 O GLU A 87 8.099 -6.178 -9.719 1.00 0.00 O ATOM 1301 CB GLU A 87 8.095 -3.252 -8.646 1.00 0.00 C ATOM 1302 CG GLU A 87 6.774 -2.647 -9.146 1.00 0.00 C ATOM 1303 CD GLU A 87 7.030 -1.416 -10.038 1.00 0.00 C ATOM 1304 OE1 GLU A 87 7.344 -1.597 -11.242 1.00 0.00 O ATOM 1305 OE2 GLU A 87 6.884 -0.262 -9.572 1.00 0.00 O ATOM 0 H GLU A 87 9.899 -4.336 -7.371 1.00 0.00 H new ATOM 0 HA GLU A 87 7.134 -4.452 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.584 -2.546 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.765 -3.403 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.216 -3.397 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.156 -2.361 -8.295 1.00 0.00 H new ATOM 1312 N ALA A 88 6.072 -6.048 -8.742 1.00 0.00 N ATOM 1313 CA ALA A 88 5.495 -7.188 -9.457 1.00 0.00 C ATOM 1314 C ALA A 88 4.087 -6.879 -9.977 1.00 0.00 C ATOM 1315 O ALA A 88 3.565 -7.584 -10.845 1.00 0.00 O ATOM 1316 CB ALA A 88 5.497 -8.398 -8.520 1.00 0.00 C ATOM 0 H ALA A 88 5.408 -5.563 -8.139 1.00 0.00 H new ATOM 0 HA ALA A 88 6.100 -7.407 -10.337 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.070 -9.258 -9.036 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.520 -8.625 -8.221 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.902 -8.174 -7.635 1.00 0.00 H new ATOM 1322 N GLY A 89 3.492 -5.794 -9.480 1.00 0.00 N ATOM 1323 CA GLY A 89 2.273 -5.223 -9.975 1.00 0.00 C ATOM 1324 C GLY A 89 1.944 -3.926 -9.256 1.00 0.00 C ATOM 1325 O GLY A 89 2.692 -3.367 -8.451 1.00 0.00 O ATOM 0 H GLY A 89 3.876 -5.279 -8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.364 -5.036 -11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.456 -5.932 -9.844 1.00 0.00 H new ATOM 1329 N ALA A 90 0.739 -3.503 -9.554 1.00 0.00 N ATOM 1330 CA ALA A 90 0.027 -2.358 -9.003 1.00 0.00 C ATOM 1331 C ALA A 90 -1.473 -2.661 -8.854 1.00 0.00 C ATOM 1332 O ALA A 90 -2.082 -3.313 -9.711 1.00 0.00 O ATOM 1333 CB ALA A 90 0.269 -1.142 -9.907 1.00 0.00 C ATOM 0 H ALA A 90 0.175 -3.990 -10.250 1.00 0.00 H new ATOM 0 HA ALA A 90 0.405 -2.139 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.260 -0.278 -9.504 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.337 -0.927 -9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.098 -1.356 -10.911 1.00 0.00 H new ATOM 1339 N TYR A 91 -2.066 -2.188 -7.754 1.00 0.00 N ATOM 1340 CA TYR A 91 -3.504 -2.297 -7.492 1.00 0.00 C ATOM 1341 C TYR A 91 -4.288 -1.255 -8.311 1.00 0.00 C ATOM 1342 O TYR A 91 -3.845 -0.116 -8.496 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.738 -2.126 -5.981 1.00 0.00 C ATOM 1344 CG TYR A 91 -5.171 -1.859 -5.558 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -5.680 -0.544 -5.562 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -6.004 -2.928 -5.176 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -7.019 -0.302 -5.208 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -7.344 -2.688 -4.807 1.00 0.00 C ATOM 1349 CZ TYR A 91 -7.855 -1.373 -4.836 1.00 0.00 C ATOM 1350 OH TYR A 91 -9.159 -1.133 -4.514 1.00 0.00 O ATOM 0 H TYR A 91 -1.554 -1.712 -7.011 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.868 -3.277 -7.801 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.392 -3.027 -5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.116 -1.304 -5.627 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.039 0.280 -5.838 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.615 -3.936 -5.166 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.407 0.706 -5.221 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.977 -3.508 -4.503 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.599 -1.977 -4.281 1.00 0.00 H new ATOM 1360 N ASP A 92 -5.490 -1.636 -8.754 1.00 0.00 N ATOM 1361 CA ASP A 92 -6.487 -0.744 -9.346 1.00 0.00 C ATOM 1362 C ASP A 92 -7.901 -1.264 -9.034 1.00 0.00 C ATOM 1363 O ASP A 92 -8.217 -2.435 -9.271 1.00 0.00 O ATOM 1364 CB ASP A 92 -6.256 -0.623 -10.860 1.00 0.00 C ATOM 1365 CG ASP A 92 -7.250 0.370 -11.492 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -7.315 1.531 -11.019 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -7.975 -0.015 -12.440 1.00 0.00 O ATOM 0 H ASP A 92 -5.804 -2.605 -8.708 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.387 0.251 -8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.235 -0.292 -11.050 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.367 -1.601 -11.328 1.00 0.00 H new ATOM 1372 N GLY A 93 -8.749 -0.400 -8.472 1.00 0.00 N ATOM 1373 CA GLY A 93 -10.058 -0.779 -7.937 1.00 0.00 C ATOM 1374 C GLY A 93 -10.744 0.362 -7.171 1.00 0.00 C ATOM 1375 O GLY A 93 -10.389 1.530 -7.367 1.00 0.00 O ATOM 0 H GLY A 93 -8.543 0.594 -8.375 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.702 -1.098 -8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.939 -1.636 -7.273 1.00 0.00 H new ATOM 1379 N PRO A 94 -11.723 0.046 -6.295 1.00 0.00 N ATOM 1380 CA PRO A 94 -12.453 1.013 -5.471 1.00 0.00 C ATOM 1381 C PRO A 94 -11.621 2.027 -4.654 1.00 0.00 C ATOM 1382 O PRO A 94 -12.150 3.091 -4.324 1.00 0.00 O ATOM 1383 CB PRO A 94 -13.321 0.171 -4.537 1.00 0.00 C ATOM 1384 CG PRO A 94 -13.601 -1.083 -5.354 1.00 0.00 C ATOM 1385 CD PRO A 94 -12.297 -1.285 -6.125 1.00 0.00 C ATOM 0 HA PRO A 94 -13.003 1.665 -6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.802 -0.062 -3.607 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.241 0.689 -4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.831 -1.937 -4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.450 -0.948 -6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.616 -1.937 -5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.483 -1.757 -7.090 1.00 0.00 H new ATOM 1393 N ARG A 95 -10.349 1.728 -4.326 1.00 0.00 N ATOM 1394 CA ARG A 95 -9.467 2.553 -3.457 1.00 0.00 C ATOM 1395 C ARG A 95 -10.102 2.836 -2.076 1.00 0.00 C ATOM 1396 O ARG A 95 -10.122 3.967 -1.578 1.00 0.00 O ATOM 1397 CB ARG A 95 -8.974 3.810 -4.213 1.00 0.00 C ATOM 1398 CG ARG A 95 -8.025 3.455 -5.364 1.00 0.00 C ATOM 1399 CD ARG A 95 -7.802 4.636 -6.311 1.00 0.00 C ATOM 1400 NE ARG A 95 -6.795 4.328 -7.355 1.00 0.00 N ATOM 1401 CZ ARG A 95 -6.977 3.594 -8.444 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -8.101 3.012 -8.749 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -6.016 3.391 -9.294 1.00 0.00 N ATOM 0 H ARG A 95 -9.888 0.884 -4.664 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.572 1.977 -3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.832 4.356 -4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.465 4.475 -3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.067 3.131 -4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.434 2.614 -5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.746 4.904 -6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.476 5.504 -5.738 1.00 0.00 H new ATOM 0 HE ARG A 95 -5.864 4.723 -7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.908 3.108 -8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.174 2.460 -9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -5.096 3.800 -9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -6.181 2.822 -10.124 1.00 0.00 H new ATOM 1417 N THR A 96 -10.629 1.766 -1.479 1.00 0.00 N ATOM 1418 CA THR A 96 -11.307 1.703 -0.165 1.00 0.00 C ATOM 1419 C THR A 96 -10.931 0.403 0.550 1.00 0.00 C ATOM 1420 O THR A 96 -10.506 -0.549 -0.109 1.00 0.00 O ATOM 1421 CB THR A 96 -12.845 1.719 -0.316 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.283 0.669 -1.155 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.379 3.036 -0.871 1.00 0.00 C ATOM 0 H THR A 96 -10.595 0.850 -1.926 1.00 0.00 H new ATOM 0 HA THR A 96 -10.987 2.576 0.404 1.00 0.00 H new ATOM 0 HB THR A 96 -13.238 1.590 0.692 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.259 0.699 -1.234 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.465 2.983 -0.953 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.105 3.851 -0.201 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.949 3.217 -1.856 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.117 0.318 1.876 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.806 -0.877 2.678 1.00 0.00 C ATOM 1433 C ALA A 97 -11.360 -2.189 2.090 1.00 0.00 C ATOM 1434 O ALA A 97 -10.643 -3.182 1.965 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.364 -0.673 4.096 1.00 0.00 C ATOM 0 H ALA A 97 -11.493 1.088 2.430 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.721 -0.985 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.142 -1.550 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.903 0.206 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.443 -0.530 4.045 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.635 -2.176 1.686 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.318 -3.328 1.076 1.00 0.00 C ATOM 1443 C ASP A 98 -12.739 -3.695 -0.294 1.00 0.00 C ATOM 1444 O ASP A 98 -12.699 -4.871 -0.657 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.819 -3.030 0.937 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.519 -2.912 2.296 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.522 -3.910 3.059 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -16.064 -1.825 2.612 1.00 0.00 O ATOM 0 H ASP A 98 -13.232 -1.354 1.774 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.162 -4.181 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.953 -2.102 0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.292 -3.821 0.355 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.242 -2.711 -1.050 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.548 -2.910 -2.322 1.00 0.00 C ATOM 1455 C GLY A 99 -10.200 -3.627 -2.171 1.00 0.00 C ATOM 1456 O GLY A 99 -9.887 -4.499 -2.979 1.00 0.00 O ATOM 0 H GLY A 99 -12.314 -1.729 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.187 -3.488 -2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.386 -1.942 -2.795 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.423 -3.314 -1.124 1.00 0.00 N ATOM 1461 CA ILE A 100 -8.134 -3.982 -0.851 1.00 0.00 C ATOM 1462 C ILE A 100 -8.356 -5.461 -0.492 1.00 0.00 C ATOM 1463 O ILE A 100 -7.729 -6.357 -1.062 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.326 -3.277 0.266 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.332 -1.736 0.226 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.877 -3.791 0.247 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -6.957 -1.105 -1.120 1.00 0.00 C ATOM 0 H ILE A 100 -9.665 -2.594 -0.443 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.546 -3.918 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.835 -3.534 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.326 -1.387 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.640 -1.368 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.305 -3.297 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.871 -4.868 0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.426 -3.574 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.993 -0.019 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.949 -1.414 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.661 -1.433 -1.884 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.305 -5.730 0.413 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.738 -7.090 0.773 1.00 0.00 C ATOM 1481 C VAL A 101 -10.292 -7.844 -0.438 1.00 0.00 C ATOM 1482 O VAL A 101 -9.961 -9.010 -0.637 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.784 -7.045 1.911 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -11.292 -8.438 2.315 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.182 -6.402 3.167 1.00 0.00 C ATOM 0 H VAL A 101 -9.802 -5.000 0.924 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.861 -7.632 1.126 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.618 -6.462 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.023 -8.340 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.759 -8.918 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.455 -9.045 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.931 -6.378 3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.323 -6.985 3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.864 -5.385 2.938 1.00 0.00 H new ATOM 1495 N SER A 102 -11.084 -7.180 -1.283 1.00 0.00 N ATOM 1496 CA SER A 102 -11.617 -7.763 -2.529 1.00 0.00 C ATOM 1497 C SER A 102 -10.523 -8.166 -3.530 1.00 0.00 C ATOM 1498 O SER A 102 -10.601 -9.243 -4.117 1.00 0.00 O ATOM 1499 CB SER A 102 -12.630 -6.831 -3.211 1.00 0.00 C ATOM 1500 OG SER A 102 -13.754 -6.623 -2.374 1.00 0.00 O ATOM 0 H SER A 102 -11.379 -6.216 -1.126 1.00 0.00 H new ATOM 0 HA SER A 102 -12.127 -8.675 -2.220 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.158 -5.876 -3.440 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.950 -7.263 -4.159 1.00 0.00 H new ATOM 0 HG SER A 102 -13.617 -5.815 -1.837 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.479 -7.354 -3.701 1.00 0.00 N ATOM 1507 CA HIS A 103 -8.326 -7.685 -4.540 1.00 0.00 C ATOM 1508 C HIS A 103 -7.551 -8.905 -4.010 1.00 0.00 C ATOM 1509 O HIS A 103 -7.089 -9.725 -4.806 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.445 -6.429 -4.633 1.00 0.00 C ATOM 1511 CG HIS A 103 -6.069 -6.656 -5.216 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.716 -6.620 -6.546 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.922 -6.890 -4.500 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -4.394 -6.830 -6.634 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.862 -7.006 -5.409 1.00 0.00 N ATOM 0 H HIS A 103 -9.409 -6.439 -3.256 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.662 -7.976 -5.535 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.962 -5.685 -5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.335 -6.006 -3.635 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.849 -6.971 -3.425 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.835 -6.855 -7.558 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.883 -7.187 -5.187 1.00 0.00 H new ATOM 1523 N LEU A 104 -7.442 -9.067 -2.686 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.824 -10.241 -2.063 1.00 0.00 C ATOM 1525 C LEU A 104 -7.701 -11.504 -2.195 1.00 0.00 C ATOM 1526 O LEU A 104 -7.228 -12.546 -2.658 1.00 0.00 O ATOM 1527 CB LEU A 104 -6.479 -9.888 -0.601 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.766 -10.960 0.249 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.723 -12.008 0.817 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.618 -11.653 -0.489 1.00 0.00 C ATOM 0 H LEU A 104 -7.783 -8.381 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.903 -10.495 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.852 -8.997 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.406 -9.620 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.340 -10.401 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.161 -12.734 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.461 -11.520 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.230 -12.519 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.160 -12.395 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.004 -12.145 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.871 -10.913 -0.777 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.990 -11.440 -1.832 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.859 -12.636 -1.778 1.00 0.00 C ATOM 1544 C LYS A 105 -10.105 -13.279 -3.157 1.00 0.00 C ATOM 1545 O LYS A 105 -10.346 -14.484 -3.230 1.00 0.00 O ATOM 1546 CB LYS A 105 -11.168 -12.319 -1.026 1.00 0.00 C ATOM 1547 CG LYS A 105 -12.232 -11.610 -1.874 1.00 0.00 C ATOM 1548 CD LYS A 105 -13.396 -11.103 -1.009 1.00 0.00 C ATOM 1549 CE LYS A 105 -14.498 -10.493 -1.891 1.00 0.00 C ATOM 1550 NZ LYS A 105 -15.632 -9.972 -1.079 1.00 0.00 N ATOM 0 H LYS A 105 -9.459 -10.573 -1.570 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.322 -13.397 -1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.587 -13.250 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.935 -11.696 -0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.778 -10.772 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.612 -12.296 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.805 -11.925 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.033 -10.357 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.078 -9.685 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.866 -11.247 -2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.354 -9.569 -1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.049 -10.748 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.286 -9.234 -0.433 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.984 -12.506 -4.246 1.00 0.00 N ATOM 1565 CA LYS A 106 -10.088 -12.974 -5.645 1.00 0.00 C ATOM 1566 C LYS A 106 -8.905 -13.824 -6.138 1.00 0.00 C ATOM 1567 O LYS A 106 -8.997 -14.414 -7.214 1.00 0.00 O ATOM 1568 CB LYS A 106 -10.338 -11.772 -6.578 1.00 0.00 C ATOM 1569 CG LYS A 106 -11.802 -11.308 -6.485 1.00 0.00 C ATOM 1570 CD LYS A 106 -12.174 -10.228 -7.513 1.00 0.00 C ATOM 1571 CE LYS A 106 -11.392 -8.926 -7.306 1.00 0.00 C ATOM 1572 NZ LYS A 106 -11.770 -7.896 -8.311 1.00 0.00 N ATOM 0 H LYS A 106 -9.805 -11.504 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.938 -13.656 -5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.673 -10.951 -6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.103 -12.048 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.456 -12.169 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.989 -10.923 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.984 -10.606 -8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.242 -10.021 -7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.580 -8.543 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.323 -9.128 -7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.222 -7.028 -8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.567 -8.253 -9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.785 -7.686 -8.228 1.00 0.00 H new ATOM 1586 N GLN A 107 -7.818 -13.912 -5.359 1.00 0.00 N ATOM 1587 CA GLN A 107 -6.607 -14.675 -5.692 1.00 0.00 C ATOM 1588 C GLN A 107 -6.132 -15.633 -4.581 1.00 0.00 C ATOM 1589 O GLN A 107 -5.635 -16.722 -4.888 1.00 0.00 O ATOM 1590 CB GLN A 107 -5.493 -13.687 -6.074 1.00 0.00 C ATOM 1591 CG GLN A 107 -5.140 -12.623 -5.021 1.00 0.00 C ATOM 1592 CD GLN A 107 -4.075 -11.641 -5.514 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.942 -11.999 -5.808 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -4.397 -10.367 -5.602 1.00 0.00 N ATOM 0 H GLN A 107 -7.755 -13.442 -4.456 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.858 -15.324 -6.531 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.592 -14.257 -6.301 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.787 -13.177 -6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -6.040 -12.072 -4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.784 -13.116 -4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.339 -10.061 -5.359 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.704 -9.686 -5.913 1.00 0.00 H new ATOM 1603 N ALA A 108 -6.322 -15.260 -3.312 1.00 0.00 N ATOM 1604 CA ALA A 108 -5.945 -16.067 -2.138 1.00 0.00 C ATOM 1605 C ALA A 108 -7.126 -16.818 -1.474 1.00 0.00 C ATOM 1606 O ALA A 108 -6.915 -17.609 -0.546 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.230 -15.153 -1.134 1.00 0.00 C ATOM 0 H ALA A 108 -6.752 -14.369 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.280 -16.859 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.942 -15.732 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.339 -14.730 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -5.900 -14.348 -0.834 1.00 0.00 H new ATOM 1613 N GLY A 109 -8.361 -16.588 -1.934 1.00 0.00 N ATOM 1614 CA GLY A 109 -9.587 -17.253 -1.475 1.00 0.00 C ATOM 1615 C GLY A 109 -10.024 -18.412 -2.391 1.00 0.00 C ATOM 1616 O GLY A 109 -9.206 -18.911 -3.180 1.00 0.00 O ATOM 0 H GLY A 109 -8.542 -15.904 -2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.431 -17.634 -0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.391 -16.520 -1.418 1.00 0.00 H new ATOM 1620 N PRO A 110 -11.293 -18.866 -2.304 1.00 0.00 N ATOM 1621 CA PRO A 110 -11.831 -19.909 -3.181 1.00 0.00 C ATOM 1622 C PRO A 110 -12.048 -19.445 -4.637 1.00 0.00 C ATOM 1623 O PRO A 110 -12.108 -20.269 -5.552 1.00 0.00 O ATOM 1624 CB PRO A 110 -13.152 -20.333 -2.529 1.00 0.00 C ATOM 1625 CG PRO A 110 -13.614 -19.072 -1.800 1.00 0.00 C ATOM 1626 CD PRO A 110 -12.306 -18.422 -1.351 1.00 0.00 C ATOM 0 HA PRO A 110 -11.121 -20.731 -3.271 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -13.881 -20.656 -3.273 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -13.010 -21.165 -1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -14.184 -18.415 -2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -14.256 -19.311 -0.952 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -12.390 -17.335 -1.348 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -12.047 -18.724 -0.336 1.00 0.00 H new ATOM 1634 N ALA A 111 -12.163 -18.130 -4.864 1.00 0.00 N ATOM 1635 CA ALA A 111 -12.189 -17.511 -6.190 1.00 0.00 C ATOM 1636 C ALA A 111 -10.814 -17.569 -6.898 1.00 0.00 C ATOM 1637 O ALA A 111 -9.777 -17.855 -6.290 1.00 0.00 O ATOM 1638 CB ALA A 111 -12.688 -16.070 -6.017 1.00 0.00 C ATOM 0 H ALA A 111 -12.243 -17.451 -4.107 1.00 0.00 H new ATOM 0 HA ALA A 111 -12.864 -18.067 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -12.720 -15.577 -6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.688 -16.081 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.011 -15.527 -5.357 1.00 0.00 H new ATOM 1644 N SER A 112 -10.809 -17.275 -8.202 1.00 0.00 N ATOM 1645 CA SER A 112 -9.620 -17.156 -9.039 1.00 0.00 C ATOM 1646 C SER A 112 -9.859 -16.202 -10.218 1.00 0.00 C ATOM 1647 O SER A 112 -11.005 -15.910 -10.591 1.00 0.00 O ATOM 1648 CB SER A 112 -9.184 -18.538 -9.555 1.00 0.00 C ATOM 1649 OG SER A 112 -10.207 -19.177 -10.311 1.00 0.00 O ATOM 0 H SER A 112 -11.671 -17.107 -8.721 1.00 0.00 H new ATOM 0 HA SER A 112 -8.822 -16.740 -8.424 1.00 0.00 H new ATOM 0 HB2 SER A 112 -8.293 -18.429 -10.173 1.00 0.00 H new ATOM 0 HB3 SER A 112 -8.911 -19.170 -8.710 1.00 0.00 H new ATOM 0 HG SER A 112 -9.888 -20.050 -10.621 1.00 0.00 H new ATOM 1655 N VAL A 113 -8.759 -15.714 -10.791 1.00 0.00 N ATOM 1656 CA VAL A 113 -8.687 -14.747 -11.909 1.00 0.00 C ATOM 1657 C VAL A 113 -7.455 -14.979 -12.786 1.00 0.00 C ATOM 1658 O VAL A 113 -6.369 -15.307 -12.255 1.00 0.00 O ATOM 1659 CB VAL A 113 -8.784 -13.308 -11.359 1.00 0.00 C ATOM 1660 CG1 VAL A 113 -7.628 -12.908 -10.429 1.00 0.00 C ATOM 1661 CG2 VAL A 113 -8.898 -12.283 -12.492 1.00 0.00 C ATOM 1662 OXT VAL A 113 -7.594 -14.902 -14.031 1.00 0.00 O ATOM 0 H VAL A 113 -7.831 -15.995 -10.474 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.539 -14.903 -12.570 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.693 -13.304 -10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -7.774 -11.883 -10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.605 -13.577 -9.569 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.684 -12.980 -10.970 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.964 -11.280 -12.070 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.019 -12.350 -13.133 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -9.792 -12.489 -13.080 1.00 0.00 H new TER 1672 VAL A 113