USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 455 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 Single : A 10 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 11 LYS NZ :NH3+ -146:sc= -0.287 (180deg=-1.56!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= 1.3 (180deg=-0.576) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.0627 (180deg=-0.763) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 104:sc= 0.828 USER MOD Single : A 28 ASN :FLIP amide:sc= -6.1! C(o=-7.9!,f=-6.1!) USER MOD Single : A 29 THR OG1 : rot -49:sc= -0.595 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= -0.706 USER MOD Single : A 39 CYS SG : rot 150:sc= -4.08! USER MOD Single : A 44 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.0027) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.5) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 16:sc= 0.74 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.54) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 10.064 5.224 17.877 1.00 0.00 N ATOM 2 CA GLY A 9 10.293 6.601 17.453 1.00 0.00 C ATOM 3 C GLY A 9 10.677 6.658 15.978 1.00 0.00 C ATOM 4 O GLY A 9 9.983 7.273 15.170 1.00 0.00 O ATOM 0 HA2 GLY A 9 9.393 7.192 17.622 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.084 7.045 18.057 1.00 0.00 H new ATOM 8 N THR A 10 11.787 6.011 15.636 1.00 0.00 N ATOM 9 CA THR A 10 12.253 5.993 14.258 1.00 0.00 C ATOM 10 C THR A 10 11.400 5.045 13.419 1.00 0.00 C ATOM 11 O THR A 10 10.868 4.059 13.928 1.00 0.00 O ATOM 12 CB THR A 10 13.719 5.547 14.215 1.00 0.00 C ATOM 13 OG1 THR A 10 13.950 4.596 15.245 1.00 0.00 O ATOM 14 CG2 THR A 10 14.633 6.757 14.425 1.00 0.00 C ATOM 0 H THR A 10 12.376 5.496 16.291 1.00 0.00 H new ATOM 0 HA THR A 10 12.167 6.998 13.845 1.00 0.00 H new ATOM 0 HB THR A 10 13.933 5.098 13.245 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.886 4.307 15.220 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.674 6.436 14.394 1.00 0.00 H new ATOM 0 HG22 THR A 10 14.455 7.489 13.637 1.00 0.00 H new ATOM 0 HG23 THR A 10 14.421 7.209 15.394 1.00 0.00 H new ATOM 22 N LYS A 11 11.276 5.351 12.130 1.00 0.00 N ATOM 23 CA LYS A 11 10.485 4.520 11.226 1.00 0.00 C ATOM 24 C LYS A 11 11.395 3.674 10.344 1.00 0.00 C ATOM 25 O LYS A 11 12.609 3.627 10.549 1.00 0.00 O ATOM 26 CB LYS A 11 9.600 5.405 10.346 1.00 0.00 C ATOM 27 CG LYS A 11 8.874 6.431 11.221 1.00 0.00 C ATOM 28 CD LYS A 11 7.883 7.233 10.369 1.00 0.00 C ATOM 29 CE LYS A 11 8.616 8.364 9.643 1.00 0.00 C ATOM 30 NZ LYS A 11 9.297 9.238 10.640 1.00 0.00 N ATOM 0 H LYS A 11 11.710 6.163 11.690 1.00 0.00 H new ATOM 0 HA LYS A 11 9.859 3.858 11.824 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.207 5.914 9.597 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.876 4.793 9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.346 5.925 12.029 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.596 7.103 11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.399 6.578 9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.096 7.645 11.001 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.346 7.950 8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.910 8.949 9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.287 10.222 10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.799 9.179 11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.281 8.924 10.763 1.00 0.00 H new ATOM 44 N LYS A 12 10.801 3.006 9.360 1.00 0.00 N ATOM 45 CA LYS A 12 11.561 2.158 8.447 1.00 0.00 C ATOM 46 C LYS A 12 11.108 2.378 7.007 1.00 0.00 C ATOM 47 O LYS A 12 11.914 2.706 6.136 1.00 0.00 O ATOM 48 CB LYS A 12 11.367 0.688 8.822 1.00 0.00 C ATOM 49 CG LYS A 12 11.587 0.510 10.328 1.00 0.00 C ATOM 50 CD LYS A 12 11.874 -0.964 10.643 1.00 0.00 C ATOM 51 CE LYS A 12 13.375 -1.241 10.507 1.00 0.00 C ATOM 52 NZ LYS A 12 13.642 -2.680 10.789 1.00 0.00 N ATOM 0 H LYS A 12 9.798 3.035 9.174 1.00 0.00 H new ATOM 0 HA LYS A 12 12.616 2.421 8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.363 0.362 8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.067 0.065 8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.420 1.130 10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.705 0.843 10.875 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.541 -1.201 11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.313 -1.606 9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.713 -0.987 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.936 -0.613 11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.661 -2.869 10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.334 -2.907 11.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.118 -3.270 10.111 1.00 0.00 H new ATOM 66 N TYR A 13 9.813 2.191 6.766 1.00 0.00 N ATOM 67 CA TYR A 13 9.254 2.367 5.428 1.00 0.00 C ATOM 68 C TYR A 13 8.103 3.367 5.459 1.00 0.00 C ATOM 69 O TYR A 13 7.435 3.530 6.480 1.00 0.00 O ATOM 70 CB TYR A 13 8.753 1.018 4.894 1.00 0.00 C ATOM 71 CG TYR A 13 9.873 0.310 4.165 1.00 0.00 C ATOM 72 CD1 TYR A 13 10.996 -0.139 4.870 1.00 0.00 C ATOM 73 CD2 TYR A 13 9.787 0.104 2.783 1.00 0.00 C ATOM 74 CE1 TYR A 13 12.033 -0.793 4.192 1.00 0.00 C ATOM 75 CE2 TYR A 13 10.822 -0.547 2.107 1.00 0.00 C ATOM 76 CZ TYR A 13 11.946 -0.997 2.811 1.00 0.00 C ATOM 77 OH TYR A 13 12.968 -1.639 2.143 1.00 0.00 O ATOM 0 H TYR A 13 9.133 1.919 7.476 1.00 0.00 H new ATOM 0 HA TYR A 13 10.034 2.751 4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.395 0.400 5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.909 1.173 4.221 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.063 0.019 5.936 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.920 0.449 2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.899 -1.140 4.736 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.755 -0.703 1.040 1.00 0.00 H new ATOM 0 HH TYR A 13 12.748 -1.700 1.190 1.00 0.00 H new ATOM 87 N ASP A 14 7.879 4.032 4.331 1.00 0.00 N ATOM 88 CA ASP A 14 6.806 5.015 4.230 1.00 0.00 C ATOM 89 C ASP A 14 6.238 5.041 2.815 1.00 0.00 C ATOM 90 O ASP A 14 6.910 5.462 1.874 1.00 0.00 O ATOM 91 CB ASP A 14 7.336 6.404 4.594 1.00 0.00 C ATOM 92 CG ASP A 14 6.171 7.362 4.823 1.00 0.00 C ATOM 93 OD1 ASP A 14 5.273 7.379 3.998 1.00 0.00 O ATOM 94 OD2 ASP A 14 6.196 8.064 5.820 1.00 0.00 O ATOM 0 H ASP A 14 8.423 3.909 3.477 1.00 0.00 H new ATOM 0 HA ASP A 14 6.013 4.735 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.951 6.344 5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.975 6.780 3.795 1.00 0.00 H new ATOM 99 N LEU A 15 4.994 4.588 2.673 1.00 0.00 N ATOM 100 CA LEU A 15 4.339 4.560 1.368 1.00 0.00 C ATOM 101 C LEU A 15 3.005 5.298 1.430 1.00 0.00 C ATOM 102 O LEU A 15 1.950 4.710 1.196 1.00 0.00 O ATOM 103 CB LEU A 15 4.094 3.112 0.928 1.00 0.00 C ATOM 104 CG LEU A 15 5.356 2.271 1.146 1.00 0.00 C ATOM 105 CD1 LEU A 15 5.005 0.787 1.022 1.00 0.00 C ATOM 106 CD2 LEU A 15 6.406 2.628 0.091 1.00 0.00 C ATOM 0 H LEU A 15 4.422 4.237 3.441 1.00 0.00 H new ATOM 0 HA LEU A 15 4.992 5.052 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.264 2.688 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.809 3.087 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 15 5.756 2.475 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.902 0.187 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.259 0.526 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.604 0.590 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.301 2.027 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.006 2.427 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.659 3.685 0.173 1.00 0.00 H new ATOM 118 N SER A 16 3.060 6.591 1.745 1.00 0.00 N ATOM 119 CA SER A 16 1.847 7.400 1.833 1.00 0.00 C ATOM 120 C SER A 16 0.873 7.017 0.723 1.00 0.00 C ATOM 121 O SER A 16 -0.300 6.742 0.978 1.00 0.00 O ATOM 122 CB SER A 16 2.199 8.884 1.716 1.00 0.00 C ATOM 123 OG SER A 16 1.081 9.593 1.199 1.00 0.00 O ATOM 0 H SER A 16 3.924 7.097 1.942 1.00 0.00 H new ATOM 0 HA SER A 16 1.376 7.215 2.798 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.477 9.282 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.061 9.015 1.062 1.00 0.00 H new ATOM 0 HG SER A 16 1.303 10.545 1.124 1.00 0.00 H new ATOM 129 N LYS A 17 1.375 6.987 -0.506 1.00 0.00 N ATOM 130 CA LYS A 17 0.552 6.620 -1.650 1.00 0.00 C ATOM 131 C LYS A 17 1.443 6.296 -2.844 1.00 0.00 C ATOM 132 O LYS A 17 2.314 7.085 -3.212 1.00 0.00 O ATOM 133 CB LYS A 17 -0.400 7.773 -2.001 1.00 0.00 C ATOM 134 CG LYS A 17 -1.732 7.215 -2.513 1.00 0.00 C ATOM 135 CD LYS A 17 -1.489 6.356 -3.758 1.00 0.00 C ATOM 136 CE LYS A 17 -2.794 6.213 -4.545 1.00 0.00 C ATOM 137 NZ LYS A 17 -2.650 5.122 -5.551 1.00 0.00 N ATOM 0 H LYS A 17 2.343 7.211 -0.734 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.038 5.739 -1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.571 8.395 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.052 8.411 -2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.210 6.619 -1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.412 8.033 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.723 6.814 -4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.118 5.373 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.618 5.991 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.036 7.152 -5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.197 5.361 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.647 5.012 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.006 4.231 -5.150 1.00 0.00 H new ATOM 151 N TRP A 18 1.218 5.132 -3.442 1.00 0.00 N ATOM 152 CA TRP A 18 2.003 4.697 -4.595 1.00 0.00 C ATOM 153 C TRP A 18 1.079 4.448 -5.786 1.00 0.00 C ATOM 154 O TRP A 18 -0.138 4.357 -5.627 1.00 0.00 O ATOM 155 CB TRP A 18 2.756 3.403 -4.248 1.00 0.00 C ATOM 156 CG TRP A 18 4.131 3.708 -3.729 1.00 0.00 C ATOM 157 CD1 TRP A 18 4.453 4.736 -2.908 1.00 0.00 C ATOM 158 CD2 TRP A 18 5.372 2.983 -3.976 1.00 0.00 C ATOM 159 NE1 TRP A 18 5.811 4.690 -2.643 1.00 0.00 N ATOM 160 CE2 TRP A 18 6.420 3.628 -3.277 1.00 0.00 C ATOM 161 CE3 TRP A 18 5.687 1.841 -4.732 1.00 0.00 C ATOM 162 CZ2 TRP A 18 7.732 3.154 -3.327 1.00 0.00 C ATOM 163 CZ3 TRP A 18 7.005 1.362 -4.785 1.00 0.00 C ATOM 164 CH2 TRP A 18 8.025 2.018 -4.084 1.00 0.00 C ATOM 0 H TRP A 18 0.499 4.471 -3.149 1.00 0.00 H new ATOM 0 HA TRP A 18 2.721 5.475 -4.854 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.197 2.841 -3.500 1.00 0.00 H new ATOM 0 HB3 TRP A 18 2.829 2.771 -5.133 1.00 0.00 H new ATOM 0 HD1 TRP A 18 3.763 5.472 -2.523 1.00 0.00 H new ATOM 0 HE1 TRP A 18 6.301 5.360 -2.051 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.908 1.328 -5.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.515 3.662 -2.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 7.234 0.483 -5.369 1.00 0.00 H new ATOM 0 HH2 TRP A 18 9.038 1.645 -4.129 1.00 0.00 H new ATOM 175 N LYS A 19 1.661 4.331 -6.976 1.00 0.00 N ATOM 176 CA LYS A 19 0.872 4.087 -8.182 1.00 0.00 C ATOM 177 C LYS A 19 0.937 2.612 -8.571 1.00 0.00 C ATOM 178 O LYS A 19 1.802 1.874 -8.100 1.00 0.00 O ATOM 179 CB LYS A 19 1.389 4.952 -9.335 1.00 0.00 C ATOM 180 CG LYS A 19 1.741 6.346 -8.813 1.00 0.00 C ATOM 181 CD LYS A 19 0.512 6.972 -8.154 1.00 0.00 C ATOM 182 CE LYS A 19 0.735 8.475 -7.975 1.00 0.00 C ATOM 183 NZ LYS A 19 2.147 8.722 -7.567 1.00 0.00 N ATOM 0 H LYS A 19 2.667 4.400 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.165 4.351 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.267 4.489 -9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.632 5.025 -10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.558 6.281 -8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.087 6.976 -9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.372 6.796 -8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.327 6.504 -7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.517 8.999 -8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.053 8.867 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.228 9.673 -7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.433 8.014 -6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.766 8.651 -8.399 1.00 0.00 H new ATOM 197 N TYR A 20 0.017 2.190 -9.430 1.00 0.00 N ATOM 198 CA TYR A 20 -0.022 0.801 -9.873 1.00 0.00 C ATOM 199 C TYR A 20 1.226 0.457 -10.682 1.00 0.00 C ATOM 200 O TYR A 20 1.782 -0.636 -10.554 1.00 0.00 O ATOM 201 CB TYR A 20 -1.268 0.560 -10.728 1.00 0.00 C ATOM 202 CG TYR A 20 -1.154 1.342 -12.017 1.00 0.00 C ATOM 203 CD1 TYR A 20 -1.489 2.700 -12.043 1.00 0.00 C ATOM 204 CD2 TYR A 20 -0.714 0.707 -13.183 1.00 0.00 C ATOM 205 CE1 TYR A 20 -1.384 3.424 -13.236 1.00 0.00 C ATOM 206 CE2 TYR A 20 -0.608 1.430 -14.378 1.00 0.00 C ATOM 207 CZ TYR A 20 -0.942 2.789 -14.404 1.00 0.00 C ATOM 208 OH TYR A 20 -0.839 3.503 -15.579 1.00 0.00 O ATOM 0 H TYR A 20 -0.708 2.785 -9.832 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.056 0.161 -8.991 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.374 -0.503 -10.943 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.161 0.865 -10.183 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.829 3.190 -11.142 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.456 -0.341 -13.162 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.644 4.472 -13.256 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.269 0.939 -15.278 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.517 2.914 -16.293 1.00 0.00 H new ATOM 218 N ALA A 21 1.656 1.395 -11.519 1.00 0.00 N ATOM 219 CA ALA A 21 2.835 1.184 -12.353 1.00 0.00 C ATOM 220 C ALA A 21 4.069 0.907 -11.501 1.00 0.00 C ATOM 221 O ALA A 21 4.722 -0.125 -11.657 1.00 0.00 O ATOM 222 CB ALA A 21 3.083 2.418 -13.223 1.00 0.00 C ATOM 0 H ALA A 21 1.209 2.304 -11.638 1.00 0.00 H new ATOM 0 HA ALA A 21 2.651 0.316 -12.986 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.964 2.255 -13.843 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.217 2.593 -13.862 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.245 3.287 -12.585 1.00 0.00 H new ATOM 228 N GLU A 22 4.394 1.837 -10.606 1.00 0.00 N ATOM 229 CA GLU A 22 5.563 1.677 -9.749 1.00 0.00 C ATOM 230 C GLU A 22 5.401 0.473 -8.825 1.00 0.00 C ATOM 231 O GLU A 22 6.369 -0.230 -8.537 1.00 0.00 O ATOM 232 CB GLU A 22 5.783 2.941 -8.916 1.00 0.00 C ATOM 233 CG GLU A 22 4.572 3.180 -8.014 1.00 0.00 C ATOM 234 CD GLU A 22 4.675 4.553 -7.360 1.00 0.00 C ATOM 235 OE1 GLU A 22 4.824 5.524 -8.084 1.00 0.00 O ATOM 236 OE2 GLU A 22 4.601 4.615 -6.144 1.00 0.00 O ATOM 0 H GLU A 22 3.870 2.699 -10.457 1.00 0.00 H new ATOM 0 HA GLU A 22 6.430 1.510 -10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.684 2.838 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.935 3.798 -9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.654 3.114 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.519 2.406 -7.248 1.00 0.00 H new ATOM 243 N LEU A 23 4.177 0.236 -8.361 1.00 0.00 N ATOM 244 CA LEU A 23 3.923 -0.891 -7.471 1.00 0.00 C ATOM 245 C LEU A 23 4.357 -2.197 -8.132 1.00 0.00 C ATOM 246 O LEU A 23 5.168 -2.943 -7.582 1.00 0.00 O ATOM 247 CB LEU A 23 2.427 -0.964 -7.125 1.00 0.00 C ATOM 248 CG LEU A 23 2.159 -0.280 -5.779 1.00 0.00 C ATOM 249 CD1 LEU A 23 0.690 0.142 -5.699 1.00 0.00 C ATOM 250 CD2 LEU A 23 2.470 -1.251 -4.635 1.00 0.00 C ATOM 0 H LEU A 23 3.357 0.800 -8.583 1.00 0.00 H new ATOM 0 HA LEU A 23 4.498 -0.746 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.842 -0.483 -7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.107 -2.005 -7.082 1.00 0.00 H new ATOM 0 HG LEU A 23 2.796 0.600 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.503 0.628 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.467 0.837 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.053 -0.738 -5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.278 -0.762 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.836 -2.133 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.517 -1.550 -4.686 1.00 0.00 H new ATOM 262 N ARG A 24 3.815 -2.461 -9.315 1.00 0.00 N ATOM 263 CA ARG A 24 4.150 -3.681 -10.042 1.00 0.00 C ATOM 264 C ARG A 24 5.639 -3.720 -10.375 1.00 0.00 C ATOM 265 O ARG A 24 6.317 -4.712 -10.113 1.00 0.00 O ATOM 266 CB ARG A 24 3.337 -3.755 -11.336 1.00 0.00 C ATOM 267 CG ARG A 24 3.417 -5.172 -11.908 1.00 0.00 C ATOM 268 CD ARG A 24 2.919 -5.165 -13.355 1.00 0.00 C ATOM 269 NE ARG A 24 1.793 -4.250 -13.496 1.00 0.00 N ATOM 270 CZ ARG A 24 1.347 -3.889 -14.695 1.00 0.00 C ATOM 271 NH1 ARG A 24 1.918 -4.356 -15.771 1.00 0.00 N ATOM 272 NH2 ARG A 24 0.338 -3.068 -14.795 1.00 0.00 N ATOM 0 H ARG A 24 3.147 -1.853 -9.789 1.00 0.00 H new ATOM 0 HA ARG A 24 3.910 -4.535 -9.408 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.298 -3.488 -11.141 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.720 -3.037 -12.061 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.444 -5.535 -11.867 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.814 -5.853 -11.308 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.726 -4.865 -14.024 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.619 -6.171 -13.649 1.00 0.00 H new ATOM 0 HE ARG A 24 1.340 -3.880 -12.660 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.707 -4.998 -15.692 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.576 -4.079 -16.691 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.108 -2.703 -13.953 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.005 -2.791 -15.715 1.00 0.00 H new ATOM 286 N ASP A 25 6.137 -2.640 -10.959 1.00 0.00 N ATOM 287 CA ASP A 25 7.544 -2.571 -11.329 1.00 0.00 C ATOM 288 C ASP A 25 8.439 -2.834 -10.122 1.00 0.00 C ATOM 289 O ASP A 25 9.310 -3.703 -10.159 1.00 0.00 O ATOM 290 CB ASP A 25 7.863 -1.195 -11.914 1.00 0.00 C ATOM 291 CG ASP A 25 9.246 -1.210 -12.558 1.00 0.00 C ATOM 292 OD1 ASP A 25 10.211 -0.976 -11.849 1.00 0.00 O ATOM 293 OD2 ASP A 25 9.320 -1.457 -13.751 1.00 0.00 O ATOM 0 H ASP A 25 5.594 -1.807 -11.185 1.00 0.00 H new ATOM 0 HA ASP A 25 7.737 -3.339 -12.078 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.111 -0.922 -12.654 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.826 -0.440 -11.129 1.00 0.00 H new ATOM 298 N THR A 26 8.225 -2.075 -9.055 1.00 0.00 N ATOM 299 CA THR A 26 9.030 -2.231 -7.848 1.00 0.00 C ATOM 300 C THR A 26 8.936 -3.649 -7.294 1.00 0.00 C ATOM 301 O THR A 26 9.912 -4.177 -6.762 1.00 0.00 O ATOM 302 CB THR A 26 8.571 -1.238 -6.780 1.00 0.00 C ATOM 303 OG1 THR A 26 8.399 0.044 -7.368 1.00 0.00 O ATOM 304 CG2 THR A 26 9.625 -1.159 -5.676 1.00 0.00 C ATOM 0 H THR A 26 7.508 -1.351 -8.999 1.00 0.00 H new ATOM 0 HA THR A 26 10.068 -2.034 -8.115 1.00 0.00 H new ATOM 0 HB THR A 26 7.624 -1.570 -6.355 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.443 0.226 -7.483 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.300 -0.452 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.755 -2.143 -5.226 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.572 -0.826 -6.100 1.00 0.00 H new ATOM 312 N ILE A 27 7.763 -4.264 -7.410 1.00 0.00 N ATOM 313 CA ILE A 27 7.582 -5.619 -6.895 1.00 0.00 C ATOM 314 C ILE A 27 8.187 -6.649 -7.851 1.00 0.00 C ATOM 315 O ILE A 27 8.492 -7.772 -7.451 1.00 0.00 O ATOM 316 CB ILE A 27 6.084 -5.906 -6.661 1.00 0.00 C ATOM 317 CG1 ILE A 27 5.900 -6.571 -5.289 1.00 0.00 C ATOM 318 CG2 ILE A 27 5.528 -6.829 -7.753 1.00 0.00 C ATOM 319 CD1 ILE A 27 4.456 -7.059 -5.135 1.00 0.00 C ATOM 0 H ILE A 27 6.937 -3.856 -7.847 1.00 0.00 H new ATOM 0 HA ILE A 27 8.104 -5.698 -5.941 1.00 0.00 H new ATOM 0 HB ILE A 27 5.540 -4.962 -6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.589 -7.409 -5.186 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.140 -5.862 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.471 -7.017 -7.567 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.646 -6.353 -8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.072 -7.774 -7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.333 -7.530 -4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.775 -6.212 -5.218 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.231 -7.783 -5.918 1.00 0.00 H new ATOM 331 N ASN A 28 8.355 -6.261 -9.115 1.00 0.00 N ATOM 332 CA ASN A 28 8.922 -7.167 -10.113 1.00 0.00 C ATOM 333 C ASN A 28 10.374 -6.797 -10.420 1.00 0.00 C ATOM 334 O ASN A 28 11.049 -7.492 -11.182 1.00 0.00 O ATOM 335 CB ASN A 28 8.074 -7.128 -11.396 1.00 0.00 C ATOM 336 CG ASN A 28 8.799 -6.366 -12.503 1.00 0.00 C ATOM 337 OD1 ASN A 28 9.216 -5.152 -12.277 1.00 0.00 O flip ATOM 338 ND2 ASN A 28 8.989 -6.892 -13.599 1.00 0.00 N flip ATOM 0 H ASN A 28 8.110 -5.336 -9.469 1.00 0.00 H new ATOM 0 HA ASN A 28 8.910 -8.180 -9.711 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.861 -8.144 -11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.115 -6.653 -11.189 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.661 -7.842 -13.772 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.474 -6.378 -14.334 1.00 0.00 H new ATOM 345 N THR A 29 10.851 -5.709 -9.819 1.00 0.00 N ATOM 346 CA THR A 29 12.230 -5.267 -10.034 1.00 0.00 C ATOM 347 C THR A 29 13.019 -5.347 -8.734 1.00 0.00 C ATOM 348 O THR A 29 14.121 -5.893 -8.697 1.00 0.00 O ATOM 349 CB THR A 29 12.253 -3.825 -10.556 1.00 0.00 C ATOM 350 OG1 THR A 29 11.478 -3.001 -9.697 1.00 0.00 O ATOM 351 CG2 THR A 29 11.680 -3.763 -11.980 1.00 0.00 C ATOM 0 H THR A 29 10.310 -5.121 -9.185 1.00 0.00 H new ATOM 0 HA THR A 29 12.688 -5.923 -10.774 1.00 0.00 H new ATOM 0 HB THR A 29 13.284 -3.472 -10.576 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.608 -3.422 -9.537 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.703 -2.733 -12.337 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.279 -4.390 -12.641 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.651 -4.122 -11.974 1.00 0.00 H new ATOM 359 N SER A 30 12.443 -4.803 -7.666 1.00 0.00 N ATOM 360 CA SER A 30 13.097 -4.823 -6.362 1.00 0.00 C ATOM 361 C SER A 30 12.653 -6.048 -5.570 1.00 0.00 C ATOM 362 O SER A 30 11.706 -6.734 -5.952 1.00 0.00 O ATOM 363 CB SER A 30 12.753 -3.544 -5.591 1.00 0.00 C ATOM 364 OG SER A 30 13.823 -2.617 -5.720 1.00 0.00 O ATOM 0 H SER A 30 11.531 -4.346 -7.677 1.00 0.00 H new ATOM 0 HA SER A 30 14.176 -4.873 -6.506 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.831 -3.109 -5.977 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.581 -3.774 -4.540 1.00 0.00 H new ATOM 0 HG SER A 30 13.606 -1.797 -5.230 1.00 0.00 H new ATOM 370 N CYS A 31 13.341 -6.319 -4.466 1.00 0.00 N ATOM 371 CA CYS A 31 13.002 -7.468 -3.635 1.00 0.00 C ATOM 372 C CYS A 31 13.528 -7.287 -2.217 1.00 0.00 C ATOM 373 O CYS A 31 14.724 -7.083 -2.006 1.00 0.00 O ATOM 374 CB CYS A 31 13.593 -8.742 -4.241 1.00 0.00 C ATOM 375 SG CYS A 31 12.891 -10.189 -3.410 1.00 0.00 S ATOM 0 H CYS A 31 14.128 -5.765 -4.129 1.00 0.00 H new ATOM 0 HA CYS A 31 11.916 -7.551 -3.595 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.378 -8.783 -5.309 1.00 0.00 H new ATOM 0 HB3 CYS A 31 14.678 -8.739 -4.134 1.00 0.00 H new ATOM 0 HG CYS A 31 13.392 -11.272 -3.927 1.00 0.00 H new ATOM 381 N ASP A 32 12.624 -7.370 -1.245 1.00 0.00 N ATOM 382 CA ASP A 32 12.998 -7.222 0.156 1.00 0.00 C ATOM 383 C ASP A 32 11.793 -7.496 1.050 1.00 0.00 C ATOM 384 O ASP A 32 10.703 -6.973 0.813 1.00 0.00 O ATOM 385 CB ASP A 32 13.531 -5.808 0.417 1.00 0.00 C ATOM 386 CG ASP A 32 14.618 -5.843 1.488 1.00 0.00 C ATOM 387 OD1 ASP A 32 14.276 -6.027 2.645 1.00 0.00 O ATOM 388 OD2 ASP A 32 15.775 -5.686 1.135 1.00 0.00 O ATOM 0 H ASP A 32 11.630 -7.538 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 32 13.783 -7.942 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.932 -5.387 -0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.717 -5.158 0.736 1.00 0.00 H new ATOM 393 N ILE A 33 11.994 -8.318 2.074 1.00 0.00 N ATOM 394 CA ILE A 33 10.914 -8.655 2.998 1.00 0.00 C ATOM 395 C ILE A 33 10.032 -7.438 3.267 1.00 0.00 C ATOM 396 O ILE A 33 8.810 -7.554 3.359 1.00 0.00 O ATOM 397 CB ILE A 33 11.499 -9.166 4.320 1.00 0.00 C ATOM 398 CG1 ILE A 33 12.728 -8.322 4.697 1.00 0.00 C ATOM 399 CG2 ILE A 33 11.912 -10.633 4.165 1.00 0.00 C ATOM 400 CD1 ILE A 33 12.859 -8.252 6.221 1.00 0.00 C ATOM 0 H ILE A 33 12.888 -8.761 2.286 1.00 0.00 H new ATOM 0 HA ILE A 33 10.304 -9.435 2.542 1.00 0.00 H new ATOM 0 HB ILE A 33 10.748 -9.083 5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.628 -8.760 4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.632 -7.318 4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.328 -10.995 5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.040 -11.230 3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.663 -10.719 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.731 -7.653 6.484 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.964 -7.794 6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.975 -9.259 6.623 1.00 0.00 H new ATOM 412 N GLU A 34 10.661 -6.275 3.398 1.00 0.00 N ATOM 413 CA GLU A 34 9.925 -5.044 3.665 1.00 0.00 C ATOM 414 C GLU A 34 9.204 -4.552 2.413 1.00 0.00 C ATOM 415 O GLU A 34 8.004 -4.276 2.448 1.00 0.00 O ATOM 416 CB GLU A 34 10.887 -3.962 4.168 1.00 0.00 C ATOM 417 CG GLU A 34 12.029 -4.609 4.957 1.00 0.00 C ATOM 418 CD GLU A 34 12.632 -3.601 5.930 1.00 0.00 C ATOM 419 OE1 GLU A 34 11.871 -2.962 6.637 1.00 0.00 O ATOM 420 OE2 GLU A 34 13.846 -3.484 5.953 1.00 0.00 O ATOM 0 H GLU A 34 11.672 -6.159 3.324 1.00 0.00 H new ATOM 0 HA GLU A 34 9.177 -5.253 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.288 -3.399 3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.353 -3.253 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.658 -5.476 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.797 -4.968 4.272 1.00 0.00 H new ATOM 427 N LEU A 35 9.937 -4.439 1.310 1.00 0.00 N ATOM 428 CA LEU A 35 9.345 -3.971 0.060 1.00 0.00 C ATOM 429 C LEU A 35 8.123 -4.817 -0.292 1.00 0.00 C ATOM 430 O LEU A 35 7.041 -4.287 -0.547 1.00 0.00 O ATOM 431 CB LEU A 35 10.376 -4.057 -1.078 1.00 0.00 C ATOM 432 CG LEU A 35 10.187 -2.902 -2.085 1.00 0.00 C ATOM 433 CD1 LEU A 35 8.700 -2.697 -2.400 1.00 0.00 C ATOM 434 CD2 LEU A 35 10.766 -1.601 -1.513 1.00 0.00 C ATOM 0 H LEU A 35 10.931 -4.662 1.255 1.00 0.00 H new ATOM 0 HA LEU A 35 9.037 -2.933 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.384 -4.022 -0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.276 -5.013 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 35 10.713 -3.163 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.588 -1.879 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.290 -3.611 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.164 -2.456 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.627 -0.794 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.253 -1.352 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.830 -1.732 -1.316 1.00 0.00 H new ATOM 446 N LEU A 36 8.308 -6.133 -0.310 1.00 0.00 N ATOM 447 CA LEU A 36 7.218 -7.046 -0.641 1.00 0.00 C ATOM 448 C LEU A 36 6.120 -6.988 0.415 1.00 0.00 C ATOM 449 O LEU A 36 4.947 -6.801 0.089 1.00 0.00 O ATOM 450 CB LEU A 36 7.751 -8.476 -0.755 1.00 0.00 C ATOM 451 CG LEU A 36 9.013 -8.485 -1.621 1.00 0.00 C ATOM 452 CD1 LEU A 36 9.487 -9.928 -1.814 1.00 0.00 C ATOM 453 CD2 LEU A 36 8.707 -7.863 -2.987 1.00 0.00 C ATOM 0 H LEU A 36 9.196 -6.590 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 36 6.794 -6.739 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.975 -8.872 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.992 -9.124 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 36 9.793 -7.906 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.386 -9.936 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.709 -10.371 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.704 -10.505 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.608 -7.871 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.925 -8.439 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.370 -6.835 -2.852 1.00 0.00 H new ATOM 465 N ALA A 37 6.499 -7.148 1.679 1.00 0.00 N ATOM 466 CA ALA A 37 5.522 -7.107 2.762 1.00 0.00 C ATOM 467 C ALA A 37 4.693 -5.832 2.674 1.00 0.00 C ATOM 468 O ALA A 37 3.462 -5.874 2.714 1.00 0.00 O ATOM 469 CB ALA A 37 6.230 -7.166 4.116 1.00 0.00 C ATOM 0 H ALA A 37 7.462 -7.305 1.976 1.00 0.00 H new ATOM 0 HA ALA A 37 4.863 -7.970 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.490 -7.135 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.802 -8.091 4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.904 -6.314 4.212 1.00 0.00 H new ATOM 475 N ALA A 38 5.375 -4.700 2.547 1.00 0.00 N ATOM 476 CA ALA A 38 4.692 -3.417 2.448 1.00 0.00 C ATOM 477 C ALA A 38 3.824 -3.375 1.195 1.00 0.00 C ATOM 478 O ALA A 38 2.685 -2.907 1.233 1.00 0.00 O ATOM 479 CB ALA A 38 5.717 -2.280 2.407 1.00 0.00 C ATOM 0 H ALA A 38 6.393 -4.644 2.510 1.00 0.00 H new ATOM 0 HA ALA A 38 4.054 -3.293 3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.198 -1.325 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.317 -2.298 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.367 -2.407 1.542 1.00 0.00 H new ATOM 485 N CYS A 39 4.366 -3.871 0.087 1.00 0.00 N ATOM 486 CA CYS A 39 3.625 -3.888 -1.170 1.00 0.00 C ATOM 487 C CYS A 39 2.312 -4.641 -0.995 1.00 0.00 C ATOM 488 O CYS A 39 1.241 -4.128 -1.322 1.00 0.00 O ATOM 489 CB CYS A 39 4.459 -4.561 -2.265 1.00 0.00 C ATOM 490 SG CYS A 39 3.690 -4.261 -3.875 1.00 0.00 S ATOM 0 H CYS A 39 5.306 -4.263 0.033 1.00 0.00 H new ATOM 0 HA CYS A 39 3.413 -2.860 -1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.476 -4.168 -2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.530 -5.632 -2.077 1.00 0.00 H new ATOM 0 HG CYS A 39 4.608 -4.231 -4.795 1.00 0.00 H new ATOM 496 N ARG A 40 2.402 -5.859 -0.470 1.00 0.00 N ATOM 497 CA ARG A 40 1.214 -6.676 -0.248 1.00 0.00 C ATOM 498 C ARG A 40 0.216 -5.930 0.628 1.00 0.00 C ATOM 499 O ARG A 40 -0.977 -5.884 0.327 1.00 0.00 O ATOM 500 CB ARG A 40 1.604 -7.993 0.426 1.00 0.00 C ATOM 501 CG ARG A 40 2.293 -8.907 -0.589 1.00 0.00 C ATOM 502 CD ARG A 40 2.604 -10.253 0.066 1.00 0.00 C ATOM 503 NE ARG A 40 2.955 -11.241 -0.950 1.00 0.00 N ATOM 504 CZ ARG A 40 2.972 -12.540 -0.667 1.00 0.00 C ATOM 505 NH1 ARG A 40 2.670 -12.950 0.534 1.00 0.00 N ATOM 506 NH2 ARG A 40 3.289 -13.403 -1.592 1.00 0.00 N ATOM 0 H ARG A 40 3.279 -6.300 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 40 0.752 -6.887 -1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.270 -7.799 1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.718 -8.483 0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.651 -9.053 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.212 -8.443 -0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.426 -10.140 0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.740 -10.597 0.635 1.00 0.00 H new ATOM 0 HE ARG A 40 3.191 -10.930 -1.892 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.421 -12.274 1.256 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.683 -13.947 0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.523 -13.081 -2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.302 -14.400 -1.376 1.00 0.00 H new ATOM 520 N GLU A 41 0.711 -5.342 1.713 1.00 0.00 N ATOM 521 CA GLU A 41 -0.149 -4.597 2.624 1.00 0.00 C ATOM 522 C GLU A 41 -0.924 -3.526 1.863 1.00 0.00 C ATOM 523 O GLU A 41 -2.123 -3.345 2.076 1.00 0.00 O ATOM 524 CB GLU A 41 0.695 -3.939 3.718 1.00 0.00 C ATOM 525 CG GLU A 41 1.177 -5.005 4.702 1.00 0.00 C ATOM 526 CD GLU A 41 0.011 -5.492 5.557 1.00 0.00 C ATOM 527 OE1 GLU A 41 -1.036 -4.869 5.505 1.00 0.00 O ATOM 528 OE2 GLU A 41 0.184 -6.481 6.252 1.00 0.00 O ATOM 0 H GLU A 41 1.695 -5.367 1.981 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.856 -5.290 3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.548 -3.426 3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.107 -3.185 4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.614 -5.842 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.960 -4.595 5.340 1.00 0.00 H new ATOM 535 N GLU A 42 -0.233 -2.824 0.971 1.00 0.00 N ATOM 536 CA GLU A 42 -0.866 -1.777 0.181 1.00 0.00 C ATOM 537 C GLU A 42 -1.953 -2.367 -0.713 1.00 0.00 C ATOM 538 O GLU A 42 -3.051 -1.822 -0.813 1.00 0.00 O ATOM 539 CB GLU A 42 0.179 -1.068 -0.683 1.00 0.00 C ATOM 540 CG GLU A 42 1.123 -0.264 0.213 1.00 0.00 C ATOM 541 CD GLU A 42 0.403 0.967 0.754 1.00 0.00 C ATOM 542 OE1 GLU A 42 -0.210 0.858 1.804 1.00 0.00 O ATOM 543 OE2 GLU A 42 0.473 2.001 0.111 1.00 0.00 O ATOM 0 H GLU A 42 0.759 -2.961 0.779 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.320 -1.057 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.744 -1.799 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.312 -0.407 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.471 -0.885 1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.005 0.039 -0.352 1.00 0.00 H new ATOM 550 N PHE A 43 -1.637 -3.486 -1.358 1.00 0.00 N ATOM 551 CA PHE A 43 -2.595 -4.144 -2.239 1.00 0.00 C ATOM 552 C PHE A 43 -3.885 -4.454 -1.483 1.00 0.00 C ATOM 553 O PHE A 43 -4.977 -4.087 -1.919 1.00 0.00 O ATOM 554 CB PHE A 43 -1.989 -5.446 -2.789 1.00 0.00 C ATOM 555 CG PHE A 43 -1.497 -5.230 -4.202 1.00 0.00 C ATOM 556 CD1 PHE A 43 -0.762 -4.081 -4.523 1.00 0.00 C ATOM 557 CD2 PHE A 43 -1.776 -6.181 -5.192 1.00 0.00 C ATOM 558 CE1 PHE A 43 -0.308 -3.885 -5.833 1.00 0.00 C ATOM 559 CE2 PHE A 43 -1.323 -5.982 -6.501 1.00 0.00 C ATOM 560 CZ PHE A 43 -0.589 -4.835 -6.821 1.00 0.00 C ATOM 0 H PHE A 43 -0.733 -3.953 -1.288 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.825 -3.475 -3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.165 -5.770 -2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.736 -6.240 -2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.546 -3.347 -3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.341 -7.068 -4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.259 -3.000 -6.081 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.540 -6.714 -7.265 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.239 -4.683 -7.831 1.00 0.00 H new ATOM 570 N HIS A 44 -3.752 -5.131 -0.346 1.00 0.00 N ATOM 571 CA HIS A 44 -4.915 -5.483 0.460 1.00 0.00 C ATOM 572 C HIS A 44 -5.698 -4.230 0.841 1.00 0.00 C ATOM 573 O HIS A 44 -6.921 -4.186 0.703 1.00 0.00 O ATOM 574 CB HIS A 44 -4.467 -6.218 1.729 1.00 0.00 C ATOM 575 CG HIS A 44 -4.209 -7.666 1.407 1.00 0.00 C ATOM 576 ND1 HIS A 44 -5.058 -8.678 1.828 1.00 0.00 N ATOM 577 CD2 HIS A 44 -3.205 -8.285 0.705 1.00 0.00 C ATOM 578 CE1 HIS A 44 -4.554 -9.842 1.379 1.00 0.00 C ATOM 579 NE2 HIS A 44 -3.426 -9.661 0.689 1.00 0.00 N ATOM 0 H HIS A 44 -2.859 -5.444 0.035 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.561 -6.136 -0.127 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.564 -5.757 2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.234 -6.137 2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.371 -7.783 0.237 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.007 -10.806 1.556 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -2.850 -10.376 0.245 1.00 0.00 H new ATOM 587 N ARG A 45 -4.987 -3.214 1.320 1.00 0.00 N ATOM 588 CA ARG A 45 -5.628 -1.967 1.716 1.00 0.00 C ATOM 589 C ARG A 45 -6.332 -1.325 0.524 1.00 0.00 C ATOM 590 O ARG A 45 -7.521 -1.009 0.589 1.00 0.00 O ATOM 591 CB ARG A 45 -4.585 -0.998 2.276 1.00 0.00 C ATOM 592 CG ARG A 45 -5.289 0.133 3.030 1.00 0.00 C ATOM 593 CD ARG A 45 -4.244 1.075 3.631 1.00 0.00 C ATOM 594 NE ARG A 45 -4.855 1.921 4.650 1.00 0.00 N ATOM 595 CZ ARG A 45 -5.733 2.863 4.325 1.00 0.00 C ATOM 596 NH1 ARG A 45 -6.063 3.046 3.076 1.00 0.00 N ATOM 597 NH2 ARG A 45 -6.267 3.607 5.255 1.00 0.00 N ATOM 0 H ARG A 45 -3.974 -3.230 1.442 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.368 -2.189 2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.905 -1.526 2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.982 -0.588 1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.943 0.683 2.354 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.919 -0.279 3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.431 0.496 4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.808 1.694 2.847 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.604 1.787 5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.647 2.465 2.348 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.737 3.770 2.827 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.010 3.465 6.232 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.941 4.330 5.005 1.00 0.00 H new ATOM 611 N ARG A 46 -5.591 -1.136 -0.564 1.00 0.00 N ATOM 612 CA ARG A 46 -6.151 -0.530 -1.766 1.00 0.00 C ATOM 613 C ARG A 46 -7.312 -1.365 -2.298 1.00 0.00 C ATOM 614 O ARG A 46 -8.295 -0.826 -2.808 1.00 0.00 O ATOM 615 CB ARG A 46 -5.070 -0.413 -2.844 1.00 0.00 C ATOM 616 CG ARG A 46 -3.928 0.480 -2.341 1.00 0.00 C ATOM 617 CD ARG A 46 -4.223 1.943 -2.680 1.00 0.00 C ATOM 618 NE ARG A 46 -3.380 2.826 -1.882 1.00 0.00 N ATOM 619 CZ ARG A 46 -2.070 2.902 -2.094 1.00 0.00 C ATOM 620 NH1 ARG A 46 -1.517 2.175 -3.025 1.00 0.00 N ATOM 621 NH2 ARG A 46 -1.339 3.702 -1.369 1.00 0.00 N ATOM 0 H ARG A 46 -4.607 -1.392 -0.637 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.520 0.463 -1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.687 -1.402 -3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.497 0.005 -3.756 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.811 0.364 -1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.987 0.174 -2.798 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.046 2.121 -3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.274 2.163 -2.491 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.803 3.395 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.090 1.548 -3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.512 2.233 -3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.772 4.269 -0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.334 3.761 -1.531 1.00 0.00 H new ATOM 635 N LEU A 47 -7.194 -2.683 -2.175 1.00 0.00 N ATOM 636 CA LEU A 47 -8.241 -3.580 -2.648 1.00 0.00 C ATOM 637 C LEU A 47 -9.462 -3.505 -1.737 1.00 0.00 C ATOM 638 O LEU A 47 -10.601 -3.488 -2.207 1.00 0.00 O ATOM 639 CB LEU A 47 -7.719 -5.020 -2.687 1.00 0.00 C ATOM 640 CG LEU A 47 -8.687 -5.902 -3.489 1.00 0.00 C ATOM 641 CD1 LEU A 47 -8.313 -5.866 -4.974 1.00 0.00 C ATOM 642 CD2 LEU A 47 -8.600 -7.345 -2.983 1.00 0.00 C ATOM 0 H LEU A 47 -6.390 -3.150 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.531 -3.272 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.728 -5.045 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.615 -5.407 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.702 -5.527 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.003 -6.493 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.373 -4.841 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.297 -6.238 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.287 -7.972 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.582 -7.714 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.869 -7.377 -1.927 1.00 0.00 H new ATOM 654 N LYS A 48 -9.218 -3.463 -0.431 1.00 0.00 N ATOM 655 CA LYS A 48 -10.306 -3.393 0.538 1.00 0.00 C ATOM 656 C LYS A 48 -11.150 -2.144 0.308 1.00 0.00 C ATOM 657 O LYS A 48 -12.371 -2.226 0.166 1.00 0.00 O ATOM 658 CB LYS A 48 -9.738 -3.376 1.961 1.00 0.00 C ATOM 659 CG LYS A 48 -10.832 -3.776 2.963 1.00 0.00 C ATOM 660 CD LYS A 48 -10.866 -5.303 3.115 1.00 0.00 C ATOM 661 CE LYS A 48 -9.846 -5.742 4.169 1.00 0.00 C ATOM 662 NZ LYS A 48 -9.523 -7.185 3.977 1.00 0.00 N ATOM 0 H LYS A 48 -8.284 -3.476 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.938 -4.272 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.896 -4.064 2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.359 -2.382 2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.641 -3.310 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.801 -3.414 2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.865 -5.627 3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.643 -5.778 2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.940 -5.141 4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.247 -5.578 5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.830 -7.484 4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.390 -7.751 4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.123 -7.328 3.028 1.00 0.00 H new ATOM 676 N VAL A 49 -10.495 -0.989 0.273 1.00 0.00 N ATOM 677 CA VAL A 49 -11.202 0.268 0.058 1.00 0.00 C ATOM 678 C VAL A 49 -11.805 0.308 -1.341 1.00 0.00 C ATOM 679 O VAL A 49 -12.934 0.760 -1.528 1.00 0.00 O ATOM 680 CB VAL A 49 -10.245 1.447 0.240 1.00 0.00 C ATOM 681 CG1 VAL A 49 -9.623 1.389 1.636 1.00 0.00 C ATOM 682 CG2 VAL A 49 -9.139 1.372 -0.814 1.00 0.00 C ATOM 0 H VAL A 49 -9.486 -0.897 0.389 1.00 0.00 H new ATOM 0 HA VAL A 49 -12.006 0.341 0.791 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.794 2.382 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.941 2.229 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.411 1.442 2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.074 0.455 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.456 2.212 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.590 0.437 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.581 1.413 -1.809 1.00 0.00 H new ATOM 692 N TYR A 50 -11.046 -0.173 -2.321 1.00 0.00 N ATOM 693 CA TYR A 50 -11.521 -0.188 -3.699 1.00 0.00 C ATOM 694 C TYR A 50 -12.772 -1.052 -3.818 1.00 0.00 C ATOM 695 O TYR A 50 -13.633 -0.804 -4.661 1.00 0.00 O ATOM 696 CB TYR A 50 -10.427 -0.727 -4.626 1.00 0.00 C ATOM 697 CG TYR A 50 -10.963 -0.853 -6.034 1.00 0.00 C ATOM 698 CD1 TYR A 50 -11.446 0.277 -6.706 1.00 0.00 C ATOM 699 CD2 TYR A 50 -10.977 -2.101 -6.669 1.00 0.00 C ATOM 700 CE1 TYR A 50 -11.942 0.159 -8.010 1.00 0.00 C ATOM 701 CE2 TYR A 50 -11.473 -2.218 -7.973 1.00 0.00 C ATOM 702 CZ TYR A 50 -11.955 -1.087 -8.644 1.00 0.00 C ATOM 703 OH TYR A 50 -12.444 -1.205 -9.929 1.00 0.00 O ATOM 0 H TYR A 50 -10.109 -0.554 -2.188 1.00 0.00 H new ATOM 0 HA TYR A 50 -11.768 0.832 -3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.566 -0.059 -4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.082 -1.698 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.436 1.240 -6.218 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.605 -2.974 -6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -12.315 1.031 -8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.484 -3.181 -8.462 1.00 0.00 H new ATOM 0 HH TYR A 50 -12.379 -2.139 -10.219 1.00 0.00 H new ATOM 713 N HIS A 51 -12.868 -2.064 -2.960 1.00 0.00 N ATOM 714 CA HIS A 51 -14.022 -2.955 -2.969 1.00 0.00 C ATOM 715 C HIS A 51 -15.196 -2.308 -2.240 1.00 0.00 C ATOM 716 O HIS A 51 -16.346 -2.438 -2.657 1.00 0.00 O ATOM 717 CB HIS A 51 -13.666 -4.282 -2.289 1.00 0.00 C ATOM 718 CG HIS A 51 -12.857 -5.133 -3.231 1.00 0.00 C ATOM 719 ND1 HIS A 51 -12.538 -6.451 -2.946 1.00 0.00 N ATOM 720 CD2 HIS A 51 -12.299 -4.870 -4.458 1.00 0.00 C ATOM 721 CE1 HIS A 51 -11.820 -6.928 -3.978 1.00 0.00 C ATOM 722 NE2 HIS A 51 -11.644 -6.005 -4.926 1.00 0.00 N ATOM 0 H HIS A 51 -12.165 -2.286 -2.255 1.00 0.00 H new ATOM 0 HA HIS A 51 -14.306 -3.144 -4.004 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -13.100 -4.094 -1.376 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -14.575 -4.808 -1.998 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -12.359 -3.926 -4.980 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -11.433 -7.935 -4.033 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -11.138 -6.109 -5.805 1.00 0.00 H new ATOM 730 N ALA A 52 -14.895 -1.610 -1.149 1.00 0.00 N ATOM 731 CA ALA A 52 -15.933 -0.947 -0.368 1.00 0.00 C ATOM 732 C ALA A 52 -16.643 0.111 -1.208 1.00 0.00 C ATOM 733 O ALA A 52 -17.873 0.175 -1.232 1.00 0.00 O ATOM 734 CB ALA A 52 -15.317 -0.290 0.868 1.00 0.00 C ATOM 0 H ALA A 52 -13.949 -1.489 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.661 -1.696 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.099 0.203 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.836 -1.051 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.576 0.447 0.557 1.00 0.00 H new ATOM 740 N TRP A 53 -15.861 0.940 -1.893 1.00 0.00 N ATOM 741 CA TRP A 53 -16.429 1.992 -2.730 1.00 0.00 C ATOM 742 C TRP A 53 -17.486 1.419 -3.668 1.00 0.00 C ATOM 743 O TRP A 53 -18.293 2.159 -4.236 1.00 0.00 O ATOM 744 CB TRP A 53 -15.323 2.663 -3.551 1.00 0.00 C ATOM 745 CG TRP A 53 -14.595 3.653 -2.698 1.00 0.00 C ATOM 746 CD1 TRP A 53 -13.290 3.568 -2.355 1.00 0.00 C ATOM 747 CD2 TRP A 53 -15.103 4.870 -2.080 1.00 0.00 C ATOM 748 NE1 TRP A 53 -12.964 4.655 -1.563 1.00 0.00 N ATOM 749 CE2 TRP A 53 -14.049 5.487 -1.366 1.00 0.00 C ATOM 750 CE3 TRP A 53 -16.364 5.493 -2.069 1.00 0.00 C ATOM 751 CZ2 TRP A 53 -14.238 6.679 -0.665 1.00 0.00 C ATOM 752 CZ3 TRP A 53 -16.558 6.693 -1.366 1.00 0.00 C ATOM 753 CH2 TRP A 53 -15.497 7.284 -0.665 1.00 0.00 C ATOM 0 H TRP A 53 -14.842 0.905 -1.886 1.00 0.00 H new ATOM 0 HA TRP A 53 -16.898 2.732 -2.081 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -14.629 1.912 -3.927 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -15.753 3.163 -4.419 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -12.613 2.781 -2.651 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -12.036 4.821 -1.173 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -17.188 5.046 -2.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -13.417 7.130 -0.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -17.530 7.164 -1.365 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -15.653 8.206 -0.125 1.00 0.00 H new ATOM 764 N LYS A 54 -17.480 0.100 -3.828 1.00 0.00 N ATOM 765 CA LYS A 54 -18.443 -0.559 -4.703 1.00 0.00 C ATOM 766 C LYS A 54 -19.817 -0.616 -4.041 1.00 0.00 C ATOM 767 O LYS A 54 -20.786 -0.054 -4.551 1.00 0.00 O ATOM 768 CB LYS A 54 -17.971 -1.978 -5.027 1.00 0.00 C ATOM 769 CG LYS A 54 -18.762 -2.521 -6.219 1.00 0.00 C ATOM 770 CD LYS A 54 -18.566 -4.035 -6.314 1.00 0.00 C ATOM 771 CE LYS A 54 -19.338 -4.574 -7.519 1.00 0.00 C ATOM 772 NZ LYS A 54 -19.299 -6.064 -7.508 1.00 0.00 N ATOM 0 H LYS A 54 -16.824 -0.530 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 54 -18.520 0.017 -5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.905 -1.975 -5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.109 -2.625 -4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -19.820 -2.287 -6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.428 -2.042 -7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.506 -4.270 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.915 -4.516 -5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -20.371 -4.226 -7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -18.902 -4.195 -8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.824 -6.431 -8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.311 -6.386 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.735 -6.416 -6.632 1.00 0.00 H new ATOM 786 N SER A 55 -19.893 -1.301 -2.904 1.00 0.00 N ATOM 787 CA SER A 55 -21.154 -1.425 -2.183 1.00 0.00 C ATOM 788 C SER A 55 -22.246 -1.965 -3.102 1.00 0.00 C ATOM 789 O SER A 55 -22.045 -2.957 -3.803 1.00 0.00 O ATOM 790 CB SER A 55 -21.575 -0.063 -1.628 1.00 0.00 C ATOM 791 OG SER A 55 -20.488 0.506 -0.909 1.00 0.00 O ATOM 0 H SER A 55 -19.103 -1.775 -2.466 1.00 0.00 H new ATOM 0 HA SER A 55 -21.013 -2.123 -1.358 1.00 0.00 H new ATOM 0 HB2 SER A 55 -21.874 0.598 -2.442 1.00 0.00 H new ATOM 0 HB3 SER A 55 -22.440 -0.175 -0.974 1.00 0.00 H new ATOM 0 HG SER A 55 -19.659 0.039 -1.145 1.00 0.00 H new ATOM 797 N LYS A 56 -23.400 -1.307 -3.096 1.00 0.00 N ATOM 798 CA LYS A 56 -24.516 -1.732 -3.934 1.00 0.00 C ATOM 799 C LYS A 56 -25.485 -0.574 -4.161 1.00 0.00 C ATOM 800 O LYS A 56 -26.273 -0.589 -5.106 1.00 0.00 O ATOM 801 CB LYS A 56 -25.256 -2.898 -3.270 1.00 0.00 C ATOM 802 CG LYS A 56 -26.085 -3.652 -4.320 1.00 0.00 C ATOM 803 CD LYS A 56 -25.218 -4.715 -5.008 1.00 0.00 C ATOM 804 CE LYS A 56 -25.229 -6.004 -4.183 1.00 0.00 C ATOM 805 NZ LYS A 56 -24.390 -7.033 -4.857 1.00 0.00 N ATOM 0 H LYS A 56 -23.587 -0.483 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 56 -24.121 -2.056 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -24.541 -3.575 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -25.906 -2.525 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -26.946 -4.124 -3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -26.473 -2.952 -5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -25.595 -4.911 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -24.197 -4.350 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -24.849 -5.810 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -26.250 -6.368 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -24.398 -7.909 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -24.772 -7.226 -5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -23.414 -6.684 -4.941 1.00 0.00 H new ATOM 819 N ASN A 57 -25.419 0.426 -3.287 1.00 0.00 N ATOM 820 CA ASN A 57 -26.294 1.589 -3.397 1.00 0.00 C ATOM 821 C ASN A 57 -25.528 2.865 -3.067 1.00 0.00 C ATOM 822 O ASN A 57 -24.305 2.916 -3.192 1.00 0.00 O ATOM 823 CB ASN A 57 -27.480 1.443 -2.441 1.00 0.00 C ATOM 824 CG ASN A 57 -28.110 0.062 -2.599 1.00 0.00 C ATOM 825 OD1 ASN A 57 -27.831 -0.841 -1.810 1.00 0.00 O ATOM 826 ND2 ASN A 57 -28.946 -0.157 -3.577 1.00 0.00 N ATOM 0 H ASN A 57 -24.772 0.455 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 57 -26.660 1.651 -4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -27.148 1.585 -1.412 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -28.221 2.216 -2.647 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -29.370 -1.078 -3.689 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -29.175 0.593 -4.229 1.00 0.00 H new ATOM 833 N LYS A 58 -26.255 3.895 -2.646 1.00 0.00 N ATOM 834 CA LYS A 58 -25.631 5.166 -2.301 1.00 0.00 C ATOM 835 C LYS A 58 -24.653 5.593 -3.391 1.00 0.00 C ATOM 836 O LYS A 58 -23.521 5.983 -3.105 1.00 0.00 O ATOM 837 CB LYS A 58 -24.891 5.037 -0.966 1.00 0.00 C ATOM 838 CG LYS A 58 -24.650 6.428 -0.373 1.00 0.00 C ATOM 839 CD LYS A 58 -23.825 6.299 0.909 1.00 0.00 C ATOM 840 CE LYS A 58 -23.700 7.669 1.579 1.00 0.00 C ATOM 841 NZ LYS A 58 -23.233 7.496 2.982 1.00 0.00 N ATOM 0 H LYS A 58 -27.269 3.875 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 58 -26.410 5.923 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -25.475 4.432 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -23.940 4.525 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -24.127 7.057 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -25.602 6.914 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -24.300 5.592 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -22.836 5.904 0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.999 8.293 1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -24.662 8.181 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.148 8.427 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -23.918 6.915 3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -22.306 7.024 2.984 1.00 0.00 H new ATOM 855 N LYS A 59 -25.099 5.515 -4.641 1.00 0.00 N ATOM 856 CA LYS A 59 -24.255 5.895 -5.768 1.00 0.00 C ATOM 857 C LYS A 59 -23.953 7.388 -5.734 1.00 0.00 C ATOM 858 O LYS A 59 -24.788 8.210 -6.110 1.00 0.00 O ATOM 859 CB LYS A 59 -24.954 5.544 -7.084 1.00 0.00 C ATOM 860 CG LYS A 59 -25.563 4.144 -6.981 1.00 0.00 C ATOM 861 CD LYS A 59 -26.025 3.683 -8.365 1.00 0.00 C ATOM 862 CE LYS A 59 -26.916 2.448 -8.223 1.00 0.00 C ATOM 863 NZ LYS A 59 -27.049 1.777 -9.547 1.00 0.00 N ATOM 0 H LYS A 59 -26.033 5.195 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 59 -23.316 5.346 -5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.732 6.276 -7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -24.242 5.583 -7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -24.829 3.445 -6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -26.405 4.153 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -26.572 4.484 -8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -25.162 3.452 -8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -26.487 1.759 -7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -27.898 2.736 -7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -27.655 0.937 -9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -27.476 2.436 -10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -26.109 1.489 -9.886 1.00 0.00 H new ATOM 877 N ARG A 60 -22.752 7.735 -5.281 1.00 0.00 N ATOM 878 CA ARG A 60 -22.348 9.134 -5.202 1.00 0.00 C ATOM 879 C ARG A 60 -22.044 9.682 -6.592 1.00 0.00 C ATOM 880 O ARG A 60 -22.463 9.063 -7.556 1.00 0.00 O ATOM 881 CB ARG A 60 -21.110 9.271 -4.314 1.00 0.00 C ATOM 882 CG ARG A 60 -21.503 9.051 -2.852 1.00 0.00 C ATOM 883 CD ARG A 60 -20.244 8.848 -2.009 1.00 0.00 C ATOM 884 NE ARG A 60 -20.558 8.980 -0.591 1.00 0.00 N ATOM 885 CZ ARG A 60 -20.684 10.175 -0.024 1.00 0.00 C ATOM 886 NH1 ARG A 60 -20.524 11.257 -0.738 1.00 0.00 N ATOM 887 NH2 ARG A 60 -20.967 10.268 1.247 1.00 0.00 N ATOM 888 OXT ARG A 60 -21.394 10.711 -6.673 1.00 0.00 O ATOM 0 H ARG A 60 -22.046 7.071 -4.965 1.00 0.00 H new ATOM 0 HA ARG A 60 -23.169 9.706 -4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.354 8.544 -4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -20.668 10.260 -4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.066 9.908 -2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -22.154 8.181 -2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -19.822 7.862 -2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -19.487 9.580 -2.291 1.00 0.00 H new ATOM 0 HE ARG A 60 -20.683 8.141 -0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -20.302 11.185 -1.731 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -20.621 12.174 -0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -21.091 9.423 1.805 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -21.064 11.185 1.682 1.00 0.00 H new TER 902 ARG A 60