USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 552 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 8 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= -0.0214 USER MOD Set 1.3: A 73 HIS :FLIP no HD1:sc= -5.66! C(o=-7!,f=-5.7!) USER MOD Set 2.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot 160:sc= 0.477 USER MOD Set 3.1: A 25 LYS NZ :NH3+ -160:sc= 0.214 (180deg=-0.00488) USER MOD Set 3.2: A 56 TYR OH : rot 180:sc= 0.143 USER MOD Set 3.3: A 60 SER OG : rot 90:sc= 1.64 USER MOD Single : A 10 TYR OH : rot -154:sc= 1.07 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00375) USER MOD Single : A 35 TYR OH : rot 0:sc= -0.183 USER MOD Single : A 36 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-6.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.6) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 0.532 (180deg=0.508) USER MOD Single : A 42 SER OG : rot 180:sc= -0.932 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.47) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.841 10.890 -5.468 1.00 0.00 N ATOM 60 CA GLY A 7 1.658 11.729 -5.536 1.00 0.00 C ATOM 61 C GLY A 7 0.388 10.966 -5.216 1.00 0.00 C ATOM 62 O GLY A 7 -0.343 11.323 -4.292 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.765 12.560 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.578 12.159 -6.534 1.00 0.00 H new ATOM 66 N SER A 8 0.122 9.914 -5.983 1.00 0.00 N ATOM 67 CA SER A 8 -1.073 9.102 -5.780 1.00 0.00 C ATOM 68 C SER A 8 -0.723 7.783 -5.097 1.00 0.00 C ATOM 69 O SER A 8 0.409 7.308 -5.182 1.00 0.00 O ATOM 70 CB SER A 8 -1.763 8.830 -7.117 1.00 0.00 C ATOM 71 OG SER A 8 -2.173 10.037 -7.735 1.00 0.00 O ATOM 0 H SER A 8 0.717 9.603 -6.751 1.00 0.00 H new ATOM 0 HA SER A 8 -1.754 9.656 -5.134 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.083 8.292 -7.778 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.629 8.187 -6.959 1.00 0.00 H new ATOM 0 HG SER A 8 -2.610 9.835 -8.589 1.00 0.00 H new ATOM 77 N TYR A 9 -1.704 7.197 -4.420 1.00 0.00 N ATOM 78 CA TYR A 9 -1.501 5.934 -3.720 1.00 0.00 C ATOM 79 C TYR A 9 -0.871 4.895 -4.642 1.00 0.00 C ATOM 80 O TYR A 9 0.236 4.418 -4.393 1.00 0.00 O ATOM 81 CB TYR A 9 -2.831 5.410 -3.175 1.00 0.00 C ATOM 82 CG TYR A 9 -3.552 6.396 -2.284 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.848 7.348 -1.557 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.936 6.375 -2.168 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.501 8.251 -0.741 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.598 7.275 -1.355 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.877 8.211 -0.644 1.00 0.00 C ATOM 88 OH TYR A 9 -5.533 9.108 0.168 1.00 0.00 O ATOM 0 H TYR A 9 -2.648 7.576 -4.341 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.820 6.114 -2.888 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.479 5.148 -4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.648 4.493 -2.615 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.771 7.383 -1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.504 5.643 -2.723 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.938 8.984 -0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.675 7.246 -1.277 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.498 8.945 0.122 1.00 0.00 H new ATOM 98 N TYR A 10 -1.585 4.550 -5.708 1.00 0.00 N ATOM 99 CA TYR A 10 -1.098 3.566 -6.668 1.00 0.00 C ATOM 100 C TYR A 10 0.409 3.698 -6.866 1.00 0.00 C ATOM 101 O TYR A 10 1.102 2.713 -7.119 1.00 0.00 O ATOM 102 CB TYR A 10 -1.817 3.731 -8.008 1.00 0.00 C ATOM 103 CG TYR A 10 -3.296 3.427 -7.943 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.770 2.333 -7.229 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.221 4.234 -8.595 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.121 2.051 -7.168 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.574 3.960 -8.538 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.019 2.868 -7.824 1.00 0.00 C ATOM 109 OH TYR A 10 -7.365 2.591 -7.764 1.00 0.00 O ATOM 0 H TYR A 10 -2.503 4.937 -5.929 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.308 2.573 -6.271 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.680 4.753 -8.361 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.352 3.075 -8.744 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.070 1.692 -6.713 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.876 5.090 -9.156 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.472 1.196 -6.610 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.279 4.598 -9.050 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.811 2.961 -8.555 1.00 0.00 H new ATOM 119 N ASP A 11 0.909 4.923 -6.749 1.00 0.00 N ATOM 120 CA ASP A 11 2.334 5.186 -6.914 1.00 0.00 C ATOM 121 C ASP A 11 3.094 4.886 -5.626 1.00 0.00 C ATOM 122 O ASP A 11 4.132 4.224 -5.647 1.00 0.00 O ATOM 123 CB ASP A 11 2.561 6.641 -7.328 1.00 0.00 C ATOM 124 CG ASP A 11 2.546 6.824 -8.833 1.00 0.00 C ATOM 125 OD1 ASP A 11 1.444 6.978 -9.401 1.00 0.00 O ATOM 126 OD2 ASP A 11 3.636 6.815 -9.442 1.00 0.00 O ATOM 0 H ASP A 11 0.349 5.750 -6.541 1.00 0.00 H new ATOM 0 HA ASP A 11 2.711 4.530 -7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.789 7.267 -6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.518 6.983 -6.933 1.00 0.00 H new ATOM 131 N ILE A 12 2.572 5.378 -4.508 1.00 0.00 N ATOM 132 CA ILE A 12 3.201 5.162 -3.211 1.00 0.00 C ATOM 133 C ILE A 12 3.305 3.675 -2.892 1.00 0.00 C ATOM 134 O ILE A 12 4.326 3.207 -2.386 1.00 0.00 O ATOM 135 CB ILE A 12 2.423 5.865 -2.084 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.261 7.354 -2.397 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.132 5.673 -0.751 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.339 8.076 -1.440 1.00 0.00 C ATOM 0 H ILE A 12 1.714 5.929 -4.474 1.00 0.00 H new ATOM 0 HA ILE A 12 4.202 5.589 -3.270 1.00 0.00 H new ATOM 0 HB ILE A 12 1.431 5.418 -2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.241 7.831 -2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.877 7.464 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.570 6.176 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.200 4.609 -0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.135 6.097 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.272 9.127 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.347 7.625 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.733 7.997 -0.427 1.00 0.00 H new ATOM 150 N LEU A 13 2.243 2.935 -3.191 1.00 0.00 N ATOM 151 CA LEU A 13 2.214 1.499 -2.937 1.00 0.00 C ATOM 152 C LEU A 13 2.920 0.735 -4.053 1.00 0.00 C ATOM 153 O LEU A 13 3.603 -0.257 -3.805 1.00 0.00 O ATOM 154 CB LEU A 13 0.770 1.013 -2.805 1.00 0.00 C ATOM 155 CG LEU A 13 0.034 1.435 -1.533 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.438 1.062 -1.619 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.676 0.797 -0.309 1.00 0.00 C ATOM 0 H LEU A 13 1.390 3.306 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 13 2.741 1.310 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.206 1.375 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.768 -0.076 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 13 0.109 2.518 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.945 1.370 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.892 1.565 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.533 -0.017 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.139 1.108 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.632 -0.288 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.717 1.114 -0.237 1.00 0.00 H new ATOM 169 N GLY A 14 2.750 1.206 -5.285 1.00 0.00 N ATOM 170 CA GLY A 14 3.378 0.556 -6.421 1.00 0.00 C ATOM 171 C GLY A 14 2.463 -0.449 -7.093 1.00 0.00 C ATOM 172 O GLY A 14 2.922 -1.463 -7.619 1.00 0.00 O ATOM 0 H GLY A 14 2.189 2.026 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.679 1.311 -7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.286 0.052 -6.091 1.00 0.00 H new ATOM 176 N VAL A 15 1.164 -0.169 -7.074 1.00 0.00 N ATOM 177 CA VAL A 15 0.182 -1.057 -7.686 1.00 0.00 C ATOM 178 C VAL A 15 -0.639 -0.324 -8.741 1.00 0.00 C ATOM 179 O VAL A 15 -0.836 0.890 -8.678 1.00 0.00 O ATOM 180 CB VAL A 15 -0.771 -1.651 -6.631 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.032 -2.638 -5.740 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.405 -0.544 -5.803 1.00 0.00 C ATOM 0 H VAL A 15 0.767 0.665 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 15 0.738 -1.866 -8.160 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.567 -2.189 -7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.721 -3.047 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.370 -3.448 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.785 -2.127 -5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.075 -0.981 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.625 0.023 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.970 0.121 -6.456 1.00 0.00 H new ATOM 192 N PRO A 16 -1.132 -1.077 -9.735 1.00 0.00 N ATOM 193 CA PRO A 16 -1.942 -0.521 -10.823 1.00 0.00 C ATOM 194 C PRO A 16 -3.319 -0.071 -10.350 1.00 0.00 C ATOM 195 O PRO A 16 -3.713 -0.334 -9.213 1.00 0.00 O ATOM 196 CB PRO A 16 -2.068 -1.689 -11.804 1.00 0.00 C ATOM 197 CG PRO A 16 -1.900 -2.909 -10.965 1.00 0.00 C ATOM 198 CD PRO A 16 -0.938 -2.531 -9.873 1.00 0.00 C ATOM 0 HA PRO A 16 -1.486 0.370 -11.256 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.036 -1.683 -12.304 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.307 -1.636 -12.582 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.855 -3.232 -10.550 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.513 -3.739 -11.556 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.159 -3.056 -8.944 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.090 -2.776 -10.141 1.00 0.00 H new ATOM 206 N LYS A 17 -4.050 0.607 -11.228 1.00 0.00 N ATOM 207 CA LYS A 17 -5.385 1.092 -10.901 1.00 0.00 C ATOM 208 C LYS A 17 -6.372 -0.066 -10.788 1.00 0.00 C ATOM 209 O LYS A 17 -7.345 0.007 -10.037 1.00 0.00 O ATOM 210 CB LYS A 17 -5.865 2.083 -11.964 1.00 0.00 C ATOM 211 CG LYS A 17 -5.058 3.369 -12.005 1.00 0.00 C ATOM 212 CD LYS A 17 -3.773 3.197 -12.796 1.00 0.00 C ATOM 213 CE LYS A 17 -3.347 4.499 -13.457 1.00 0.00 C ATOM 214 NZ LYS A 17 -2.601 4.260 -14.724 1.00 0.00 N ATOM 0 H LYS A 17 -3.740 0.833 -12.173 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.334 1.599 -9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.820 1.604 -12.942 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.911 2.326 -11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.658 4.162 -12.452 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.821 3.683 -10.989 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.981 2.848 -12.134 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.913 2.430 -13.558 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.228 5.107 -13.663 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.721 5.068 -12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.328 5.172 -15.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.747 3.702 -14.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.206 3.739 -15.390 1.00 0.00 H new ATOM 228 N SER A 18 -6.114 -1.132 -11.538 1.00 0.00 N ATOM 229 CA SER A 18 -6.982 -2.305 -11.523 1.00 0.00 C ATOM 230 C SER A 18 -6.485 -3.335 -10.514 1.00 0.00 C ATOM 231 O SER A 18 -7.026 -4.436 -10.418 1.00 0.00 O ATOM 232 CB SER A 18 -7.051 -2.931 -12.917 1.00 0.00 C ATOM 233 OG SER A 18 -5.814 -3.525 -13.272 1.00 0.00 O ATOM 0 H SER A 18 -5.312 -1.208 -12.163 1.00 0.00 H new ATOM 0 HA SER A 18 -7.981 -1.985 -11.226 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.840 -3.683 -12.943 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.315 -2.168 -13.649 1.00 0.00 H new ATOM 0 HG SER A 18 -5.885 -3.919 -14.166 1.00 0.00 H new ATOM 239 N ALA A 19 -5.451 -2.968 -9.763 1.00 0.00 N ATOM 240 CA ALA A 19 -4.882 -3.859 -8.760 1.00 0.00 C ATOM 241 C ALA A 19 -5.973 -4.481 -7.895 1.00 0.00 C ATOM 242 O ALA A 19 -6.853 -3.783 -7.392 1.00 0.00 O ATOM 243 CB ALA A 19 -3.883 -3.107 -7.893 1.00 0.00 C ATOM 0 H ALA A 19 -4.991 -2.060 -9.831 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.363 -4.665 -9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.466 -3.784 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.080 -2.716 -8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.387 -2.281 -7.391 1.00 0.00 H new ATOM 249 N SER A 20 -5.910 -5.798 -7.727 1.00 0.00 N ATOM 250 CA SER A 20 -6.896 -6.515 -6.927 1.00 0.00 C ATOM 251 C SER A 20 -6.542 -6.452 -5.444 1.00 0.00 C ATOM 252 O SER A 20 -5.377 -6.293 -5.080 1.00 0.00 O ATOM 253 CB SER A 20 -6.988 -7.973 -7.380 1.00 0.00 C ATOM 254 OG SER A 20 -7.263 -8.060 -8.767 1.00 0.00 O ATOM 0 H SER A 20 -5.186 -6.390 -8.134 1.00 0.00 H new ATOM 0 HA SER A 20 -7.864 -6.035 -7.072 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.052 -8.485 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.771 -8.483 -6.818 1.00 0.00 H new ATOM 0 HG SER A 20 -7.315 -9.002 -9.032 1.00 0.00 H new ATOM 260 N GLU A 21 -7.556 -6.578 -4.594 1.00 0.00 N ATOM 261 CA GLU A 21 -7.352 -6.534 -3.151 1.00 0.00 C ATOM 262 C GLU A 21 -6.067 -7.259 -2.761 1.00 0.00 C ATOM 263 O GLU A 21 -5.248 -6.732 -2.009 1.00 0.00 O ATOM 264 CB GLU A 21 -8.544 -7.161 -2.426 1.00 0.00 C ATOM 265 CG GLU A 21 -8.614 -6.807 -0.950 1.00 0.00 C ATOM 266 CD GLU A 21 -9.703 -7.567 -0.218 1.00 0.00 C ATOM 267 OE1 GLU A 21 -10.888 -7.210 -0.380 1.00 0.00 O ATOM 268 OE2 GLU A 21 -9.369 -8.520 0.517 1.00 0.00 O ATOM 0 H GLU A 21 -8.526 -6.711 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.264 -5.489 -2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.465 -6.839 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.492 -8.245 -2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.652 -7.019 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.790 -5.736 -0.845 1.00 0.00 H new ATOM 275 N ARG A 22 -5.899 -8.472 -3.278 1.00 0.00 N ATOM 276 CA ARG A 22 -4.716 -9.271 -2.983 1.00 0.00 C ATOM 277 C ARG A 22 -3.445 -8.537 -3.402 1.00 0.00 C ATOM 278 O ARG A 22 -2.430 -8.589 -2.709 1.00 0.00 O ATOM 279 CB ARG A 22 -4.795 -10.622 -3.697 1.00 0.00 C ATOM 280 CG ARG A 22 -4.826 -10.509 -5.212 1.00 0.00 C ATOM 281 CD ARG A 22 -4.736 -11.875 -5.874 1.00 0.00 C ATOM 282 NE ARG A 22 -5.391 -11.895 -7.180 1.00 0.00 N ATOM 283 CZ ARG A 22 -5.622 -13.006 -7.869 1.00 0.00 C ATOM 284 NH1 ARG A 22 -5.254 -14.182 -7.380 1.00 0.00 N ATOM 285 NH2 ARG A 22 -6.222 -12.943 -9.051 1.00 0.00 N ATOM 0 H ARG A 22 -6.567 -8.923 -3.903 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.681 -9.438 -1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.938 -11.229 -3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.689 -11.149 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.746 -10.013 -5.522 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.998 -9.885 -5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.689 -12.153 -5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.195 -12.622 -5.227 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.687 -11.007 -7.584 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.792 -14.235 -6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.433 -15.034 -7.912 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.506 -12.040 -9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.399 -13.797 -9.579 1.00 0.00 H new ATOM 299 N GLN A 23 -3.511 -7.853 -4.540 1.00 0.00 N ATOM 300 CA GLN A 23 -2.366 -7.109 -5.051 1.00 0.00 C ATOM 301 C GLN A 23 -2.019 -5.944 -4.131 1.00 0.00 C ATOM 302 O GLN A 23 -0.855 -5.739 -3.785 1.00 0.00 O ATOM 303 CB GLN A 23 -2.655 -6.592 -6.461 1.00 0.00 C ATOM 304 CG GLN A 23 -2.812 -7.696 -7.494 1.00 0.00 C ATOM 305 CD GLN A 23 -1.488 -8.131 -8.090 1.00 0.00 C ATOM 306 OE1 GLN A 23 -0.674 -8.770 -7.422 1.00 0.00 O ATOM 307 NE2 GLN A 23 -1.265 -7.787 -9.353 1.00 0.00 N ATOM 0 H GLN A 23 -4.345 -7.799 -5.125 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.512 -7.786 -5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.566 -5.994 -6.440 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.846 -5.930 -6.769 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.297 -8.555 -7.031 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.469 -7.351 -8.292 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.968 -7.257 -9.869 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.391 -8.053 -9.807 1.00 0.00 H new ATOM 316 N ILE A 24 -3.035 -5.184 -3.737 1.00 0.00 N ATOM 317 CA ILE A 24 -2.837 -4.040 -2.857 1.00 0.00 C ATOM 318 C ILE A 24 -2.281 -4.476 -1.505 1.00 0.00 C ATOM 319 O ILE A 24 -1.257 -3.967 -1.048 1.00 0.00 O ATOM 320 CB ILE A 24 -4.150 -3.267 -2.633 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.687 -2.735 -3.964 1.00 0.00 C ATOM 322 CG2 ILE A 24 -3.932 -2.126 -1.651 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.192 -2.591 -3.994 1.00 0.00 C ATOM 0 H ILE A 24 -4.004 -5.340 -4.014 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.119 -3.385 -3.349 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.888 -3.949 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.233 -1.765 -4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.378 -3.406 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.869 -1.589 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.589 -2.527 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.181 -1.443 -2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.502 -2.209 -4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.654 -3.563 -3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.507 -1.897 -3.215 1.00 0.00 H new ATOM 335 N LYS A 25 -2.962 -5.424 -0.870 1.00 0.00 N ATOM 336 CA LYS A 25 -2.537 -5.933 0.428 1.00 0.00 C ATOM 337 C LYS A 25 -1.094 -6.425 0.373 1.00 0.00 C ATOM 338 O LYS A 25 -0.290 -6.123 1.256 1.00 0.00 O ATOM 339 CB LYS A 25 -3.457 -7.069 0.880 1.00 0.00 C ATOM 340 CG LYS A 25 -4.681 -6.593 1.643 1.00 0.00 C ATOM 341 CD LYS A 25 -5.787 -7.636 1.629 1.00 0.00 C ATOM 342 CE LYS A 25 -7.018 -7.152 2.379 1.00 0.00 C ATOM 343 NZ LYS A 25 -6.806 -7.154 3.853 1.00 0.00 N ATOM 0 H LYS A 25 -3.812 -5.856 -1.234 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.597 -5.117 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.781 -7.633 0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.891 -7.755 1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.404 -6.368 2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.048 -5.666 1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.056 -7.869 0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.424 -8.559 2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.271 -6.144 2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.867 -7.790 2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.727 -7.153 4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.273 -8.004 4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.270 -6.306 4.128 1.00 0.00 H new ATOM 357 N LYS A 26 -0.771 -7.183 -0.669 1.00 0.00 N ATOM 358 CA LYS A 26 0.576 -7.714 -0.841 1.00 0.00 C ATOM 359 C LYS A 26 1.580 -6.589 -1.067 1.00 0.00 C ATOM 360 O LYS A 26 2.670 -6.593 -0.495 1.00 0.00 O ATOM 361 CB LYS A 26 0.614 -8.690 -2.020 1.00 0.00 C ATOM 362 CG LYS A 26 0.109 -10.080 -1.675 1.00 0.00 C ATOM 363 CD LYS A 26 -0.305 -10.848 -2.920 1.00 0.00 C ATOM 364 CE LYS A 26 -1.024 -12.140 -2.564 1.00 0.00 C ATOM 365 NZ LYS A 26 -0.069 -13.237 -2.245 1.00 0.00 N ATOM 0 H LYS A 26 -1.424 -7.444 -1.408 1.00 0.00 H new ATOM 0 HA LYS A 26 0.850 -8.244 0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.013 -8.286 -2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.638 -8.765 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.888 -10.631 -1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.740 -10.002 -0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.956 -10.225 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.577 -11.074 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.678 -11.968 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.660 -12.443 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.598 -14.100 -2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.538 -13.419 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.521 -12.959 -1.435 1.00 0.00 H new ATOM 379 N ALA A 27 1.205 -5.625 -1.902 1.00 0.00 N ATOM 380 CA ALA A 27 2.072 -4.492 -2.200 1.00 0.00 C ATOM 381 C ALA A 27 2.341 -3.663 -0.948 1.00 0.00 C ATOM 382 O ALA A 27 3.464 -3.212 -0.720 1.00 0.00 O ATOM 383 CB ALA A 27 1.453 -3.625 -3.286 1.00 0.00 C ATOM 0 H ALA A 27 0.306 -5.606 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 27 3.025 -4.880 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.111 -2.783 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.318 -4.217 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.486 -3.253 -2.948 1.00 0.00 H new ATOM 389 N PHE A 28 1.305 -3.467 -0.140 1.00 0.00 N ATOM 390 CA PHE A 28 1.430 -2.691 1.088 1.00 0.00 C ATOM 391 C PHE A 28 2.237 -3.454 2.134 1.00 0.00 C ATOM 392 O PHE A 28 3.235 -2.951 2.653 1.00 0.00 O ATOM 393 CB PHE A 28 0.045 -2.351 1.645 1.00 0.00 C ATOM 394 CG PHE A 28 0.090 -1.583 2.935 1.00 0.00 C ATOM 395 CD1 PHE A 28 0.707 -0.344 2.998 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.485 -2.100 4.085 1.00 0.00 C ATOM 397 CE1 PHE A 28 0.749 0.365 4.184 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.446 -1.395 5.273 1.00 0.00 C ATOM 399 CZ PHE A 28 0.173 -0.162 5.323 1.00 0.00 C ATOM 0 H PHE A 28 0.370 -3.835 -0.313 1.00 0.00 H new ATOM 0 HA PHE A 28 1.957 -1.766 0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.503 -1.769 0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.512 -3.275 1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.160 0.073 2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.969 -3.065 4.052 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.232 1.330 4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.899 -1.808 6.162 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.207 0.389 6.251 1.00 0.00 H new ATOM 409 N HIS A 29 1.798 -4.671 2.440 1.00 0.00 N ATOM 410 CA HIS A 29 2.480 -5.504 3.424 1.00 0.00 C ATOM 411 C HIS A 29 3.989 -5.481 3.203 1.00 0.00 C ATOM 412 O HIS A 29 4.742 -4.979 4.038 1.00 0.00 O ATOM 413 CB HIS A 29 1.963 -6.941 3.351 1.00 0.00 C ATOM 414 CG HIS A 29 0.778 -7.197 4.230 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.544 -8.409 4.845 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.243 -6.388 4.597 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.570 -8.334 5.551 1.00 0.00 C ATOM 418 NE2 HIS A 29 -1.067 -7.118 5.417 1.00 0.00 N ATOM 0 H HIS A 29 0.974 -5.102 2.021 1.00 0.00 H new ATOM 0 HA HIS A 29 2.270 -5.100 4.414 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.696 -7.170 2.319 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.767 -7.622 3.631 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.383 -5.359 4.300 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.001 -9.132 6.138 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.924 -6.777 5.852 1.00 0.00 H new ATOM 426 N LYS A 30 4.425 -6.030 2.074 1.00 0.00 N ATOM 427 CA LYS A 30 5.845 -6.073 1.742 1.00 0.00 C ATOM 428 C LYS A 30 6.504 -4.721 1.996 1.00 0.00 C ATOM 429 O LYS A 30 7.557 -4.641 2.631 1.00 0.00 O ATOM 430 CB LYS A 30 6.035 -6.478 0.279 1.00 0.00 C ATOM 431 CG LYS A 30 6.047 -5.302 -0.682 1.00 0.00 C ATOM 432 CD LYS A 30 6.396 -5.740 -2.094 1.00 0.00 C ATOM 433 CE LYS A 30 5.586 -6.956 -2.517 1.00 0.00 C ATOM 434 NZ LYS A 30 5.935 -7.403 -3.894 1.00 0.00 N ATOM 0 H LYS A 30 3.815 -6.451 1.373 1.00 0.00 H new ATOM 0 HA LYS A 30 6.321 -6.815 2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.972 -7.026 0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.235 -7.161 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.069 -4.820 -0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.769 -4.560 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.211 -4.919 -2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.459 -5.972 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.761 -7.771 -1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.523 -6.719 -2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.362 -8.234 -4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.744 -6.634 -4.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.944 -7.654 -3.932 1.00 0.00 H new ATOM 448 N LEU A 31 5.878 -3.660 1.498 1.00 0.00 N ATOM 449 CA LEU A 31 6.403 -2.310 1.672 1.00 0.00 C ATOM 450 C LEU A 31 6.594 -1.987 3.151 1.00 0.00 C ATOM 451 O LEU A 31 7.714 -1.759 3.607 1.00 0.00 O ATOM 452 CB LEU A 31 5.462 -1.289 1.032 1.00 0.00 C ATOM 453 CG LEU A 31 5.536 -1.170 -0.491 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.337 -0.402 -1.025 1.00 0.00 C ATOM 455 CD2 LEU A 31 6.834 -0.496 -0.911 1.00 0.00 C ATOM 0 H LEU A 31 5.006 -3.709 0.971 1.00 0.00 H new ATOM 0 HA LEU A 31 7.374 -2.258 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.439 -1.545 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.672 -0.310 1.464 1.00 0.00 H new ATOM 0 HG LEU A 31 5.517 -2.174 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.407 -0.327 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.420 -0.926 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.324 0.598 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.869 -0.420 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.883 0.502 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.681 -1.087 -0.561 1.00 0.00 H new ATOM 467 N ALA A 32 5.492 -1.970 3.894 1.00 0.00 N ATOM 468 CA ALA A 32 5.538 -1.679 5.322 1.00 0.00 C ATOM 469 C ALA A 32 6.781 -2.284 5.966 1.00 0.00 C ATOM 470 O ALA A 32 7.355 -1.709 6.890 1.00 0.00 O ATOM 471 CB ALA A 32 4.282 -2.195 6.007 1.00 0.00 C ATOM 0 H ALA A 32 4.557 -2.154 3.531 1.00 0.00 H new ATOM 0 HA ALA A 32 5.587 -0.597 5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.330 -1.971 7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.406 -1.711 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.208 -3.273 5.866 1.00 0.00 H new ATOM 477 N MET A 33 7.190 -3.449 5.472 1.00 0.00 N ATOM 478 CA MET A 33 8.365 -4.132 6.000 1.00 0.00 C ATOM 479 C MET A 33 9.639 -3.364 5.661 1.00 0.00 C ATOM 480 O MET A 33 10.513 -3.185 6.508 1.00 0.00 O ATOM 481 CB MET A 33 8.449 -5.554 5.442 1.00 0.00 C ATOM 482 CG MET A 33 7.210 -6.389 5.718 1.00 0.00 C ATOM 483 SD MET A 33 6.672 -6.286 7.436 1.00 0.00 S ATOM 484 CE MET A 33 4.894 -6.378 7.240 1.00 0.00 C ATOM 0 H MET A 33 6.725 -3.939 4.708 1.00 0.00 H new ATOM 0 HA MET A 33 8.269 -4.180 7.085 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.611 -5.504 4.365 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.317 -6.054 5.872 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.401 -6.057 5.067 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.415 -7.430 5.467 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.417 -6.327 8.219 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.552 -5.545 6.626 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.629 -7.318 6.756 1.00 0.00 H new ATOM 494 N LYS A 34 9.737 -2.912 4.415 1.00 0.00 N ATOM 495 CA LYS A 34 10.903 -2.162 3.962 1.00 0.00 C ATOM 496 C LYS A 34 11.007 -0.826 4.692 1.00 0.00 C ATOM 497 O LYS A 34 12.105 -0.359 4.997 1.00 0.00 O ATOM 498 CB LYS A 34 10.828 -1.926 2.452 1.00 0.00 C ATOM 499 CG LYS A 34 12.019 -1.164 1.896 1.00 0.00 C ATOM 500 CD LYS A 34 11.658 -0.419 0.622 1.00 0.00 C ATOM 501 CE LYS A 34 12.886 0.199 -0.029 1.00 0.00 C ATOM 502 NZ LYS A 34 13.712 -0.819 -0.734 1.00 0.00 N ATOM 0 H LYS A 34 9.023 -3.052 3.701 1.00 0.00 H new ATOM 0 HA LYS A 34 11.793 -2.750 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.754 -2.888 1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.916 -1.375 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.380 -0.457 2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.834 -1.858 1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.179 -1.104 -0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.933 0.363 0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.574 0.967 -0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.490 0.693 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.521 -0.353 -1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.059 -1.520 -0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.134 -1.297 -1.454 1.00 0.00 H new ATOM 516 N TYR A 35 9.859 -0.218 4.969 1.00 0.00 N ATOM 517 CA TYR A 35 9.822 1.065 5.661 1.00 0.00 C ATOM 518 C TYR A 35 9.266 0.906 7.073 1.00 0.00 C ATOM 519 O TYR A 35 8.849 1.879 7.702 1.00 0.00 O ATOM 520 CB TYR A 35 8.974 2.068 4.877 1.00 0.00 C ATOM 521 CG TYR A 35 9.586 2.474 3.555 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.636 3.382 3.503 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.113 1.951 2.358 1.00 0.00 C ATOM 524 CE1 TYR A 35 11.197 3.757 2.298 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.669 2.318 1.148 1.00 0.00 C ATOM 526 CZ TYR A 35 10.711 3.222 1.123 1.00 0.00 C ATOM 527 OH TYR A 35 11.266 3.592 -0.080 1.00 0.00 O ATOM 0 H TYR A 35 8.942 -0.593 4.725 1.00 0.00 H new ATOM 0 HA TYR A 35 10.843 1.440 5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.990 1.636 4.695 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.823 2.959 5.487 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.020 3.802 4.421 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.296 1.245 2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.012 4.465 2.276 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.290 1.900 0.227 1.00 0.00 H new ATOM 0 HH TYR A 35 11.987 4.237 0.077 1.00 0.00 H new ATOM 537 N HIS A 36 9.263 -0.329 7.565 1.00 0.00 N ATOM 538 CA HIS A 36 8.759 -0.618 8.903 1.00 0.00 C ATOM 539 C HIS A 36 9.527 0.176 9.956 1.00 0.00 C ATOM 540 O HIS A 36 10.743 0.045 10.102 1.00 0.00 O ATOM 541 CB HIS A 36 8.863 -2.114 9.199 1.00 0.00 C ATOM 542 CG HIS A 36 7.809 -2.614 10.138 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.335 -1.873 11.200 1.00 0.00 N ATOM 544 CD2 HIS A 36 7.137 -3.788 10.170 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.417 -2.570 11.845 1.00 0.00 C ATOM 546 NE2 HIS A 36 6.277 -3.736 11.240 1.00 0.00 N ATOM 0 H HIS A 36 9.604 -1.145 7.057 1.00 0.00 H new ATOM 0 HA HIS A 36 7.711 -0.320 8.941 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.795 -2.667 8.262 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.845 -2.325 9.623 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.255 -4.612 9.482 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.873 -2.242 12.719 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.635 -4.477 11.521 1.00 0.00 H new ATOM 554 N PRO A 37 8.804 1.020 10.706 1.00 0.00 N ATOM 555 CA PRO A 37 9.397 1.851 11.758 1.00 0.00 C ATOM 556 C PRO A 37 9.860 1.028 12.955 1.00 0.00 C ATOM 557 O PRO A 37 10.441 1.562 13.901 1.00 0.00 O ATOM 558 CB PRO A 37 8.252 2.784 12.161 1.00 0.00 C ATOM 559 CG PRO A 37 7.012 2.036 11.808 1.00 0.00 C ATOM 560 CD PRO A 37 7.351 1.227 10.587 1.00 0.00 C ATOM 0 HA PRO A 37 10.288 2.373 11.411 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.286 3.015 13.226 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.308 3.733 11.627 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.698 1.391 12.629 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.187 2.720 11.607 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.811 0.281 10.570 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.095 1.757 9.670 1.00 0.00 H new ATOM 568 N ASP A 38 9.600 -0.274 12.908 1.00 0.00 N ATOM 569 CA ASP A 38 9.992 -1.171 13.989 1.00 0.00 C ATOM 570 C ASP A 38 11.319 -1.855 13.674 1.00 0.00 C ATOM 571 O ASP A 38 12.154 -2.050 14.557 1.00 0.00 O ATOM 572 CB ASP A 38 8.906 -2.222 14.227 1.00 0.00 C ATOM 573 CG ASP A 38 9.291 -3.219 15.303 1.00 0.00 C ATOM 574 OD1 ASP A 38 10.106 -4.120 15.013 1.00 0.00 O ATOM 575 OD2 ASP A 38 8.777 -3.097 16.434 1.00 0.00 O ATOM 0 H ASP A 38 9.120 -0.732 12.133 1.00 0.00 H new ATOM 0 HA ASP A 38 10.116 -0.577 14.894 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.979 -1.724 14.512 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.709 -2.754 13.296 1.00 0.00 H new ATOM 580 N LYS A 39 11.506 -2.218 12.409 1.00 0.00 N ATOM 581 CA LYS A 39 12.730 -2.879 11.976 1.00 0.00 C ATOM 582 C LYS A 39 13.732 -1.867 11.429 1.00 0.00 C ATOM 583 O LYS A 39 14.940 -2.015 11.610 1.00 0.00 O ATOM 584 CB LYS A 39 12.417 -3.930 10.908 1.00 0.00 C ATOM 585 CG LYS A 39 11.506 -5.042 11.398 1.00 0.00 C ATOM 586 CD LYS A 39 12.267 -6.058 12.233 1.00 0.00 C ATOM 587 CE LYS A 39 12.900 -7.133 11.363 1.00 0.00 C ATOM 588 NZ LYS A 39 13.165 -8.382 12.128 1.00 0.00 N ATOM 0 H LYS A 39 10.824 -2.065 11.666 1.00 0.00 H new ATOM 0 HA LYS A 39 13.173 -3.370 12.842 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.951 -3.440 10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.351 -4.366 10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.696 -4.616 11.990 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.048 -5.541 10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.042 -5.551 12.808 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.590 -6.521 12.950 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.241 -7.355 10.523 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.834 -6.758 10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.596 -9.089 11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.814 -8.176 12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.270 -8.754 12.506 1.00 0.00 H new ATOM 602 N ASN A 40 13.221 -0.837 10.762 1.00 0.00 N ATOM 603 CA ASN A 40 14.071 0.201 10.190 1.00 0.00 C ATOM 604 C ASN A 40 14.600 1.131 11.277 1.00 0.00 C ATOM 605 O ASN A 40 13.829 1.758 12.004 1.00 0.00 O ATOM 606 CB ASN A 40 13.295 1.007 9.147 1.00 0.00 C ATOM 607 CG ASN A 40 14.206 1.653 8.120 1.00 0.00 C ATOM 608 OD1 ASN A 40 15.321 2.069 8.438 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.735 1.739 6.882 1.00 0.00 N ATOM 0 H ASN A 40 12.223 -0.699 10.604 1.00 0.00 H new ATOM 0 HA ASN A 40 14.919 -0.284 9.707 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.586 0.352 8.639 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.712 1.780 9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.303 2.163 6.149 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.805 1.381 6.664 1.00 0.00 H new ATOM 616 N LYS A 41 15.922 1.216 11.384 1.00 0.00 N ATOM 617 CA LYS A 41 16.557 2.070 12.380 1.00 0.00 C ATOM 618 C LYS A 41 16.864 3.447 11.800 1.00 0.00 C ATOM 619 O LYS A 41 17.970 3.964 11.957 1.00 0.00 O ATOM 620 CB LYS A 41 17.845 1.422 12.892 1.00 0.00 C ATOM 621 CG LYS A 41 17.662 -0.015 13.351 1.00 0.00 C ATOM 622 CD LYS A 41 17.157 -0.082 14.783 1.00 0.00 C ATOM 623 CE LYS A 41 15.637 -0.097 14.838 1.00 0.00 C ATOM 624 NZ LYS A 41 15.094 -1.483 14.799 1.00 0.00 N ATOM 0 H LYS A 41 16.575 0.703 10.792 1.00 0.00 H new ATOM 0 HA LYS A 41 15.864 2.192 13.212 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.595 1.449 12.101 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.234 2.013 13.721 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.958 -0.522 12.692 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.610 -0.547 13.273 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.548 -0.977 15.266 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.534 0.774 15.343 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.302 0.399 15.749 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.238 0.473 13.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.059 -1.448 14.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.501 -1.993 13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.342 -1.978 15.679 1.00 0.00 H new ATOM 638 N SER A 42 15.878 4.036 11.131 1.00 0.00 N ATOM 639 CA SER A 42 16.044 5.352 10.526 1.00 0.00 C ATOM 640 C SER A 42 14.854 6.251 10.845 1.00 0.00 C ATOM 641 O SER A 42 13.706 5.809 10.900 1.00 0.00 O ATOM 642 CB SER A 42 16.208 5.223 9.010 1.00 0.00 C ATOM 643 OG SER A 42 16.943 6.313 8.481 1.00 0.00 O ATOM 0 H SER A 42 14.956 3.622 10.994 1.00 0.00 H new ATOM 0 HA SER A 42 16.942 5.806 10.944 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.718 4.289 8.775 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.227 5.179 8.538 1.00 0.00 H new ATOM 0 HG SER A 42 17.035 6.206 7.511 1.00 0.00 H new ATOM 649 N PRO A 43 15.133 7.545 11.062 1.00 0.00 N ATOM 650 CA PRO A 43 14.099 8.535 11.380 1.00 0.00 C ATOM 651 C PRO A 43 13.192 8.829 10.190 1.00 0.00 C ATOM 652 O PRO A 43 11.985 9.010 10.347 1.00 0.00 O ATOM 653 CB PRO A 43 14.905 9.780 11.758 1.00 0.00 C ATOM 654 CG PRO A 43 16.205 9.620 11.049 1.00 0.00 C ATOM 655 CD PRO A 43 16.478 8.142 11.013 1.00 0.00 C ATOM 0 HA PRO A 43 13.430 8.187 12.168 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.394 10.691 11.447 1.00 0.00 H new ATOM 0 HB3 PRO A 43 15.048 9.847 12.837 1.00 0.00 H new ATOM 0 HG2 PRO A 43 16.153 10.032 10.041 1.00 0.00 H new ATOM 0 HG3 PRO A 43 17.002 10.151 11.570 1.00 0.00 H new ATOM 0 HD2 PRO A 43 17.013 7.854 10.108 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.089 7.826 11.858 1.00 0.00 H new ATOM 663 N ASP A 44 13.781 8.874 9.000 1.00 0.00 N ATOM 664 CA ASP A 44 13.026 9.144 7.782 1.00 0.00 C ATOM 665 C ASP A 44 12.049 8.010 7.487 1.00 0.00 C ATOM 666 O ASP A 44 10.914 8.248 7.072 1.00 0.00 O ATOM 667 CB ASP A 44 13.976 9.337 6.599 1.00 0.00 C ATOM 668 CG ASP A 44 13.407 10.267 5.546 1.00 0.00 C ATOM 669 OD1 ASP A 44 12.385 9.906 4.925 1.00 0.00 O ATOM 670 OD2 ASP A 44 13.983 11.356 5.343 1.00 0.00 O ATOM 0 H ASP A 44 14.780 8.727 8.853 1.00 0.00 H new ATOM 0 HA ASP A 44 12.456 10.061 7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.924 9.737 6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.190 8.369 6.147 1.00 0.00 H new ATOM 675 N ALA A 45 12.497 6.778 7.702 1.00 0.00 N ATOM 676 CA ALA A 45 11.662 5.608 7.459 1.00 0.00 C ATOM 677 C ALA A 45 10.247 5.825 7.985 1.00 0.00 C ATOM 678 O ALA A 45 9.269 5.521 7.303 1.00 0.00 O ATOM 679 CB ALA A 45 12.282 4.375 8.100 1.00 0.00 C ATOM 0 H ALA A 45 13.434 6.564 8.044 1.00 0.00 H new ATOM 0 HA ALA A 45 11.601 5.453 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.648 3.509 7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.270 4.201 7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.372 4.530 9.175 1.00 0.00 H new ATOM 685 N GLU A 46 10.147 6.351 9.202 1.00 0.00 N ATOM 686 CA GLU A 46 8.851 6.606 9.819 1.00 0.00 C ATOM 687 C GLU A 46 7.977 7.468 8.912 1.00 0.00 C ATOM 688 O GLU A 46 6.777 7.231 8.781 1.00 0.00 O ATOM 689 CB GLU A 46 9.032 7.294 11.173 1.00 0.00 C ATOM 690 CG GLU A 46 7.739 7.443 11.958 1.00 0.00 C ATOM 691 CD GLU A 46 7.974 7.569 13.451 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.645 6.683 14.022 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.487 8.551 14.048 1.00 0.00 O ATOM 0 H GLU A 46 10.947 6.609 9.779 1.00 0.00 H new ATOM 0 HA GLU A 46 8.355 5.647 9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.745 6.724 11.768 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.467 8.281 11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.202 8.323 11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.100 6.581 11.766 1.00 0.00 H new ATOM 700 N ALA A 47 8.589 8.470 8.288 1.00 0.00 N ATOM 701 CA ALA A 47 7.868 9.366 7.393 1.00 0.00 C ATOM 702 C ALA A 47 7.331 8.615 6.179 1.00 0.00 C ATOM 703 O ALA A 47 6.177 8.791 5.788 1.00 0.00 O ATOM 704 CB ALA A 47 8.771 10.509 6.952 1.00 0.00 C ATOM 0 H ALA A 47 9.582 8.681 8.386 1.00 0.00 H new ATOM 0 HA ALA A 47 7.018 9.777 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.220 11.171 6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.102 11.069 7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.639 10.106 6.430 1.00 0.00 H new ATOM 710 N LYS A 48 8.176 7.778 5.586 1.00 0.00 N ATOM 711 CA LYS A 48 7.787 6.999 4.417 1.00 0.00 C ATOM 712 C LYS A 48 6.556 6.148 4.714 1.00 0.00 C ATOM 713 O LYS A 48 5.558 6.209 3.996 1.00 0.00 O ATOM 714 CB LYS A 48 8.943 6.103 3.967 1.00 0.00 C ATOM 715 CG LYS A 48 10.014 6.841 3.183 1.00 0.00 C ATOM 716 CD LYS A 48 9.525 7.225 1.796 1.00 0.00 C ATOM 717 CE LYS A 48 9.643 6.063 0.822 1.00 0.00 C ATOM 718 NZ LYS A 48 9.158 6.428 -0.538 1.00 0.00 N ATOM 0 H LYS A 48 9.135 7.622 5.896 1.00 0.00 H new ATOM 0 HA LYS A 48 7.541 7.694 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.398 5.643 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.547 5.294 3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.311 7.738 3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.901 6.213 3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.486 7.550 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.104 8.071 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.683 5.743 0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.069 5.215 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.255 5.610 -1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.158 6.709 -0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.722 7.220 -0.907 1.00 0.00 H new ATOM 732 N PHE A 49 6.634 5.356 5.779 1.00 0.00 N ATOM 733 CA PHE A 49 5.526 4.493 6.172 1.00 0.00 C ATOM 734 C PHE A 49 4.242 5.300 6.343 1.00 0.00 C ATOM 735 O PHE A 49 3.144 4.796 6.109 1.00 0.00 O ATOM 736 CB PHE A 49 5.859 3.761 7.473 1.00 0.00 C ATOM 737 CG PHE A 49 4.792 2.799 7.910 1.00 0.00 C ATOM 738 CD1 PHE A 49 3.685 3.244 8.615 1.00 0.00 C ATOM 739 CD2 PHE A 49 4.896 1.449 7.615 1.00 0.00 C ATOM 740 CE1 PHE A 49 2.701 2.361 9.017 1.00 0.00 C ATOM 741 CE2 PHE A 49 3.914 0.561 8.015 1.00 0.00 C ATOM 742 CZ PHE A 49 2.816 1.018 8.718 1.00 0.00 C ATOM 0 H PHE A 49 7.452 5.294 6.385 1.00 0.00 H new ATOM 0 HA PHE A 49 5.371 3.760 5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.796 3.219 7.346 1.00 0.00 H new ATOM 0 HB3 PHE A 49 6.020 4.495 8.262 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.590 4.293 8.853 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.753 1.086 7.067 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.843 2.721 9.565 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.005 -0.489 7.778 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.049 0.326 9.033 1.00 0.00 H new ATOM 752 N ARG A 50 4.390 6.556 6.754 1.00 0.00 N ATOM 753 CA ARG A 50 3.243 7.432 6.959 1.00 0.00 C ATOM 754 C ARG A 50 2.495 7.663 5.649 1.00 0.00 C ATOM 755 O ARG A 50 1.320 8.029 5.652 1.00 0.00 O ATOM 756 CB ARG A 50 3.696 8.772 7.542 1.00 0.00 C ATOM 757 CG ARG A 50 2.593 9.524 8.268 1.00 0.00 C ATOM 758 CD ARG A 50 2.242 8.860 9.590 1.00 0.00 C ATOM 759 NE ARG A 50 1.769 9.824 10.580 1.00 0.00 N ATOM 760 CZ ARG A 50 2.536 10.774 11.105 1.00 0.00 C ATOM 761 NH1 ARG A 50 3.804 10.885 10.737 1.00 0.00 N ATOM 762 NH2 ARG A 50 2.033 11.614 12.000 1.00 0.00 N ATOM 0 H ARG A 50 5.292 6.989 6.951 1.00 0.00 H new ATOM 0 HA ARG A 50 2.568 6.946 7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.521 8.598 8.233 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.081 9.397 6.737 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.910 10.551 8.449 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.706 9.570 7.636 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.473 8.105 9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.119 8.342 9.979 1.00 0.00 H new ATOM 0 HE ARG A 50 0.797 9.765 10.885 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.194 10.240 10.049 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.390 11.615 11.141 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.057 11.531 12.286 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.622 12.343 12.403 1.00 0.00 H new ATOM 776 N GLU A 51 3.184 7.447 4.533 1.00 0.00 N ATOM 777 CA GLU A 51 2.584 7.633 3.217 1.00 0.00 C ATOM 778 C GLU A 51 2.067 6.309 2.663 1.00 0.00 C ATOM 779 O GLU A 51 1.132 6.282 1.862 1.00 0.00 O ATOM 780 CB GLU A 51 3.602 8.241 2.250 1.00 0.00 C ATOM 781 CG GLU A 51 3.607 9.761 2.248 1.00 0.00 C ATOM 782 CD GLU A 51 2.231 10.349 2.004 1.00 0.00 C ATOM 783 OE1 GLU A 51 1.460 9.750 1.225 1.00 0.00 O ATOM 784 OE2 GLU A 51 1.926 11.408 2.590 1.00 0.00 O ATOM 0 H GLU A 51 4.158 7.143 4.514 1.00 0.00 H new ATOM 0 HA GLU A 51 1.741 8.316 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.598 7.883 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.390 7.885 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.987 10.120 3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.292 10.117 1.478 1.00 0.00 H new ATOM 791 N ILE A 52 2.682 5.213 3.095 1.00 0.00 N ATOM 792 CA ILE A 52 2.283 3.886 2.643 1.00 0.00 C ATOM 793 C ILE A 52 0.959 3.465 3.271 1.00 0.00 C ATOM 794 O ILE A 52 0.061 2.980 2.584 1.00 0.00 O ATOM 795 CB ILE A 52 3.355 2.832 2.978 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.753 3.389 2.703 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.118 1.561 2.176 1.00 0.00 C ATOM 798 CD1 ILE A 52 5.839 2.335 2.723 1.00 0.00 C ATOM 0 H ILE A 52 3.458 5.218 3.757 1.00 0.00 H new ATOM 0 HA ILE A 52 2.166 3.944 1.561 1.00 0.00 H new ATOM 0 HB ILE A 52 3.284 2.588 4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.754 3.882 1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.984 4.151 3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.884 0.826 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.135 1.156 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.165 1.789 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.803 2.802 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.865 1.858 3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.632 1.585 1.960 1.00 0.00 H new ATOM 810 N ALA A 53 0.845 3.657 4.581 1.00 0.00 N ATOM 811 CA ALA A 53 -0.371 3.301 5.302 1.00 0.00 C ATOM 812 C ALA A 53 -1.586 4.011 4.713 1.00 0.00 C ATOM 813 O ALA A 53 -2.495 3.370 4.186 1.00 0.00 O ATOM 814 CB ALA A 53 -0.226 3.636 6.779 1.00 0.00 C ATOM 0 H ALA A 53 1.580 4.057 5.165 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.525 2.227 5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.141 3.365 7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.612 3.079 7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.045 4.705 6.894 1.00 0.00 H new ATOM 820 N GLU A 54 -1.594 5.337 4.808 1.00 0.00 N ATOM 821 CA GLU A 54 -2.699 6.133 4.285 1.00 0.00 C ATOM 822 C GLU A 54 -3.086 5.671 2.883 1.00 0.00 C ATOM 823 O GLU A 54 -4.265 5.635 2.534 1.00 0.00 O ATOM 824 CB GLU A 54 -2.321 7.615 4.260 1.00 0.00 C ATOM 825 CG GLU A 54 -3.411 8.511 3.696 1.00 0.00 C ATOM 826 CD GLU A 54 -2.887 9.868 3.268 1.00 0.00 C ATOM 827 OE1 GLU A 54 -2.137 9.927 2.272 1.00 0.00 O ATOM 828 OE2 GLU A 54 -3.227 10.871 3.930 1.00 0.00 O ATOM 0 H GLU A 54 -0.849 5.882 5.242 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.557 5.995 4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.085 7.938 5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.416 7.741 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.875 8.019 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.189 8.647 4.447 1.00 0.00 H new ATOM 835 N ALA A 55 -2.084 5.320 2.084 1.00 0.00 N ATOM 836 CA ALA A 55 -2.318 4.859 0.722 1.00 0.00 C ATOM 837 C ALA A 55 -3.107 3.554 0.711 1.00 0.00 C ATOM 838 O ALA A 55 -4.072 3.407 -0.040 1.00 0.00 O ATOM 839 CB ALA A 55 -0.996 4.685 -0.012 1.00 0.00 C ATOM 0 H ALA A 55 -1.102 5.346 2.357 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.910 5.615 0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.187 4.340 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.470 5.639 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.383 3.951 0.511 1.00 0.00 H new ATOM 845 N TYR A 56 -2.691 2.610 1.547 1.00 0.00 N ATOM 846 CA TYR A 56 -3.357 1.316 1.632 1.00 0.00 C ATOM 847 C TYR A 56 -4.749 1.458 2.242 1.00 0.00 C ATOM 848 O TYR A 56 -5.741 1.025 1.657 1.00 0.00 O ATOM 849 CB TYR A 56 -2.521 0.341 2.463 1.00 0.00 C ATOM 850 CG TYR A 56 -3.254 -0.932 2.822 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.569 -1.873 1.849 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.632 -1.193 4.133 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.239 -3.037 2.172 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.301 -2.355 4.465 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.602 -3.274 3.481 1.00 0.00 C ATOM 856 OH TYR A 56 -5.270 -4.432 3.808 1.00 0.00 O ATOM 0 H TYR A 56 -1.895 2.717 2.176 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.462 0.923 0.621 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.618 0.086 1.909 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.203 0.838 3.380 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.285 -1.691 0.823 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.399 -0.475 4.906 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.477 -3.757 1.404 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.587 -2.543 5.489 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.451 -4.444 4.771 1.00 0.00 H new ATOM 866 N GLU A 57 -4.811 2.069 3.420 1.00 0.00 N ATOM 867 CA GLU A 57 -6.080 2.269 4.110 1.00 0.00 C ATOM 868 C GLU A 57 -7.208 2.518 3.113 1.00 0.00 C ATOM 869 O GLU A 57 -8.297 1.957 3.237 1.00 0.00 O ATOM 870 CB GLU A 57 -5.977 3.444 5.085 1.00 0.00 C ATOM 871 CG GLU A 57 -5.084 3.165 6.283 1.00 0.00 C ATOM 872 CD GLU A 57 -5.822 2.470 7.410 1.00 0.00 C ATOM 873 OE1 GLU A 57 -6.637 1.570 7.121 1.00 0.00 O ATOM 874 OE2 GLU A 57 -5.582 2.827 8.583 1.00 0.00 O ATOM 0 H GLU A 57 -3.998 2.434 3.917 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.307 1.361 4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.594 4.315 4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.976 3.700 5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.243 2.547 5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.670 4.104 6.650 1.00 0.00 H new ATOM 881 N THR A 58 -6.939 3.366 2.124 1.00 0.00 N ATOM 882 CA THR A 58 -7.930 3.692 1.107 1.00 0.00 C ATOM 883 C THR A 58 -8.138 2.525 0.148 1.00 0.00 C ATOM 884 O THR A 58 -9.271 2.138 -0.139 1.00 0.00 O ATOM 885 CB THR A 58 -7.519 4.938 0.300 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.175 6.006 1.190 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.644 5.381 -0.622 1.00 0.00 C ATOM 0 H THR A 58 -6.043 3.839 2.007 1.00 0.00 H new ATOM 0 HA THR A 58 -8.863 3.899 1.631 1.00 0.00 H new ATOM 0 HB THR A 58 -6.653 4.680 -0.309 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.628 6.665 0.714 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.330 6.262 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.883 4.576 -1.317 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.526 5.622 -0.029 1.00 0.00 H new ATOM 895 N LEU A 59 -7.037 1.968 -0.346 1.00 0.00 N ATOM 896 CA LEU A 59 -7.099 0.844 -1.273 1.00 0.00 C ATOM 897 C LEU A 59 -7.260 -0.474 -0.522 1.00 0.00 C ATOM 898 O LEU A 59 -7.119 -1.551 -1.101 1.00 0.00 O ATOM 899 CB LEU A 59 -5.837 0.801 -2.137 1.00 0.00 C ATOM 900 CG LEU A 59 -5.411 2.126 -2.770 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.077 1.972 -3.484 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.479 2.626 -3.732 1.00 0.00 C ATOM 0 H LEU A 59 -6.091 2.277 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.968 0.982 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.014 0.433 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.991 0.074 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.292 2.864 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.790 2.925 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.315 1.661 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.168 1.219 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.158 3.570 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.631 1.890 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.414 2.777 -3.192 1.00 0.00 H new ATOM 914 N SER A 60 -7.558 -0.380 0.770 1.00 0.00 N ATOM 915 CA SER A 60 -7.737 -1.564 1.601 1.00 0.00 C ATOM 916 C SER A 60 -9.200 -1.995 1.625 1.00 0.00 C ATOM 917 O SER A 60 -9.524 -3.147 1.334 1.00 0.00 O ATOM 918 CB SER A 60 -7.250 -1.292 3.026 1.00 0.00 C ATOM 919 OG SER A 60 -7.467 -2.415 3.862 1.00 0.00 O ATOM 0 H SER A 60 -7.680 0.504 1.264 1.00 0.00 H new ATOM 0 HA SER A 60 -7.145 -2.372 1.171 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.188 -1.046 3.010 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.772 -0.426 3.433 1.00 0.00 H new ATOM 0 HG SER A 60 -6.686 -3.006 3.826 1.00 0.00 H new ATOM 925 N ASP A 61 -10.079 -1.062 1.973 1.00 0.00 N ATOM 926 CA ASP A 61 -11.509 -1.344 2.034 1.00 0.00 C ATOM 927 C ASP A 61 -12.112 -1.402 0.634 1.00 0.00 C ATOM 928 O ASP A 61 -11.397 -1.315 -0.364 1.00 0.00 O ATOM 929 CB ASP A 61 -12.225 -0.279 2.867 1.00 0.00 C ATOM 930 CG ASP A 61 -13.453 -0.823 3.569 1.00 0.00 C ATOM 931 OD1 ASP A 61 -13.358 -1.912 4.174 1.00 0.00 O ATOM 932 OD2 ASP A 61 -14.510 -0.159 3.514 1.00 0.00 O ATOM 0 H ASP A 61 -9.827 -0.104 2.217 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.643 -2.316 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.535 0.123 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.516 0.549 2.220 1.00 0.00 H new ATOM 937 N ALA A 62 -13.431 -1.550 0.569 1.00 0.00 N ATOM 938 CA ALA A 62 -14.129 -1.619 -0.709 1.00 0.00 C ATOM 939 C ALA A 62 -14.685 -0.255 -1.105 1.00 0.00 C ATOM 940 O ALA A 62 -14.261 0.333 -2.099 1.00 0.00 O ATOM 941 CB ALA A 62 -15.249 -2.648 -0.643 1.00 0.00 C ATOM 0 H ALA A 62 -14.037 -1.624 1.386 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.412 -1.925 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.762 -2.689 -1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.830 -3.628 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.958 -2.365 0.135 1.00 0.00 H new ATOM 947 N ASN A 63 -15.636 0.242 -0.322 1.00 0.00 N ATOM 948 CA ASN A 63 -16.250 1.537 -0.592 1.00 0.00 C ATOM 949 C ASN A 63 -15.190 2.627 -0.715 1.00 0.00 C ATOM 950 O ASN A 63 -15.273 3.492 -1.587 1.00 0.00 O ATOM 951 CB ASN A 63 -17.241 1.896 0.517 1.00 0.00 C ATOM 952 CG ASN A 63 -18.134 0.730 0.896 1.00 0.00 C ATOM 953 OD1 ASN A 63 -17.847 -0.004 1.841 1.00 0.00 O ATOM 954 ND2 ASN A 63 -19.223 0.554 0.157 1.00 0.00 N ATOM 0 H ASN A 63 -15.999 -0.232 0.505 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.785 1.467 -1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.691 2.230 1.397 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.859 2.732 0.191 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -19.861 -0.215 0.364 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -19.422 1.187 -0.617 1.00 0.00 H new ATOM 961 N ARG A 64 -14.194 2.578 0.163 1.00 0.00 N ATOM 962 CA ARG A 64 -13.118 3.561 0.153 1.00 0.00 C ATOM 963 C ARG A 64 -12.342 3.505 -1.160 1.00 0.00 C ATOM 964 O ARG A 64 -12.196 4.514 -1.849 1.00 0.00 O ATOM 965 CB ARG A 64 -12.169 3.321 1.329 1.00 0.00 C ATOM 966 CG ARG A 64 -12.728 3.780 2.666 1.00 0.00 C ATOM 967 CD ARG A 64 -11.620 4.029 3.677 1.00 0.00 C ATOM 968 NE ARG A 64 -12.137 4.559 4.936 1.00 0.00 N ATOM 969 CZ ARG A 64 -11.367 4.885 5.968 1.00 0.00 C ATOM 970 NH1 ARG A 64 -10.052 4.735 5.891 1.00 0.00 N ATOM 971 NH2 ARG A 64 -11.912 5.362 7.080 1.00 0.00 N ATOM 0 H ARG A 64 -14.110 1.868 0.890 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.563 4.551 0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.938 2.257 1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.230 3.841 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.306 4.693 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.413 3.026 3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.087 3.097 3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.898 4.730 3.258 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.145 4.686 5.028 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.630 4.369 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.463 4.986 6.685 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.923 5.479 7.143 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.320 5.612 7.872 1.00 0.00 H new ATOM 985 N ARG A 65 -11.847 2.318 -1.498 1.00 0.00 N ATOM 986 CA ARG A 65 -11.085 2.131 -2.727 1.00 0.00 C ATOM 987 C ARG A 65 -11.949 2.419 -3.952 1.00 0.00 C ATOM 988 O ARG A 65 -11.450 2.862 -4.986 1.00 0.00 O ATOM 989 CB ARG A 65 -10.537 0.705 -2.800 1.00 0.00 C ATOM 990 CG ARG A 65 -9.649 0.455 -4.008 1.00 0.00 C ATOM 991 CD ARG A 65 -10.455 -0.036 -5.200 1.00 0.00 C ATOM 992 NE ARG A 65 -9.598 -0.548 -6.266 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.041 -1.298 -7.269 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.325 -1.620 -7.343 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.200 -1.726 -8.202 1.00 0.00 N ATOM 0 H ARG A 65 -11.960 1.473 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.252 2.833 -2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.970 0.496 -1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.372 0.005 -2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.127 1.374 -4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.887 -0.282 -3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.139 -0.820 -4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.065 0.780 -5.586 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.605 -0.317 -6.239 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.975 -1.292 -6.629 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.663 -2.196 -8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.212 -1.479 -8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.542 -2.302 -8.971 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.247 2.164 -3.827 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.181 2.396 -4.922 1.00 0.00 C ATOM 1011 C LYS A 66 -14.278 3.882 -5.249 1.00 0.00 C ATOM 1012 O LYS A 66 -14.194 4.277 -6.411 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.566 1.850 -4.563 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.662 2.301 -5.512 1.00 0.00 C ATOM 1015 CD LYS A 66 -17.969 1.575 -5.239 1.00 0.00 C ATOM 1016 CE LYS A 66 -18.021 0.234 -5.954 1.00 0.00 C ATOM 1017 NZ LYS A 66 -18.458 0.376 -7.370 1.00 0.00 N ATOM 0 H LYS A 66 -13.676 1.796 -2.978 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.807 1.872 -5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.528 0.761 -4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.821 2.165 -3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.813 3.376 -5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.352 2.119 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.084 1.421 -4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.805 2.194 -5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.036 -0.232 -5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.705 -0.432 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.480 -0.560 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.408 0.797 -7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.791 0.990 -7.879 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.455 4.701 -4.216 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.562 6.144 -4.396 1.00 0.00 C ATOM 1033 C GLU A 67 -13.253 6.725 -4.922 1.00 0.00 C ATOM 1034 O GLU A 67 -13.245 7.495 -5.883 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.938 6.818 -3.075 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.281 6.371 -2.524 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.969 7.454 -1.715 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -17.443 8.437 -2.323 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.033 7.319 -0.475 1.00 0.00 O ATOM 0 H GLU A 67 -14.527 4.390 -3.247 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.345 6.336 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.164 6.608 -2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.956 7.898 -3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.927 6.073 -3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.138 5.490 -1.898 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.149 6.352 -4.286 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.834 6.838 -4.687 1.00 0.00 C ATOM 1048 C TYR A 68 -10.556 6.511 -6.151 1.00 0.00 C ATOM 1049 O TYR A 68 -9.619 7.040 -6.750 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.748 6.225 -3.801 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.343 6.512 -4.279 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.786 7.778 -4.143 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.572 5.518 -4.869 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.503 8.045 -4.579 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.287 5.775 -5.306 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.757 7.040 -5.160 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.478 7.301 -5.596 1.00 0.00 O ATOM 0 H TYR A 68 -12.138 5.714 -3.490 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.823 7.921 -4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.862 6.605 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.894 5.146 -3.756 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.367 8.567 -3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.985 4.527 -4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.086 9.035 -4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.701 4.990 -5.760 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.090 6.487 -5.979 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.377 5.637 -6.722 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.222 5.240 -8.116 1.00 0.00 C ATOM 1069 C ASP A 69 -12.215 5.981 -9.006 1.00 0.00 C ATOM 1070 O ASP A 69 -11.862 6.463 -10.082 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.415 3.730 -8.263 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.639 3.158 -9.433 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -9.393 3.248 -9.420 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -11.277 2.620 -10.361 1.00 0.00 O ATOM 0 H ASP A 69 -12.157 5.190 -6.241 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.212 5.502 -8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.099 3.235 -7.345 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.475 3.513 -8.393 1.00 0.00 H new ATOM 1079 N THR A 70 -13.461 6.067 -8.549 1.00 0.00 N ATOM 1080 CA THR A 70 -14.506 6.747 -9.304 1.00 0.00 C ATOM 1081 C THR A 70 -14.346 8.261 -9.225 1.00 0.00 C ATOM 1082 O THR A 70 -14.938 9.000 -10.012 1.00 0.00 O ATOM 1083 CB THR A 70 -15.908 6.364 -8.793 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.874 6.536 -9.837 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.296 7.211 -7.591 1.00 0.00 C ATOM 0 H THR A 70 -13.770 5.674 -7.660 1.00 0.00 H new ATOM 0 HA THR A 70 -14.405 6.427 -10.341 1.00 0.00 H new ATOM 0 HB THR A 70 -15.886 5.318 -8.488 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.762 6.289 -9.505 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.290 6.922 -7.248 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.575 7.055 -6.788 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.301 8.264 -7.874 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.541 8.716 -8.271 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.302 10.144 -8.089 1.00 0.00 C ATOM 1095 C LEU A 71 -11.871 10.509 -8.474 1.00 0.00 C ATOM 1096 O LEU A 71 -11.634 11.522 -9.131 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.570 10.546 -6.638 1.00 0.00 C ATOM 1098 CG LEU A 71 -14.971 10.242 -6.106 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -14.992 10.317 -4.587 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -15.988 11.203 -6.703 1.00 0.00 C ATOM 0 H LEU A 71 -13.043 8.118 -7.612 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.985 10.688 -8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.844 10.040 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.390 11.616 -6.539 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.240 9.229 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.997 10.098 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.292 9.589 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.702 11.318 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.979 10.972 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.722 12.226 -6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.992 11.101 -7.788 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.921 9.676 -8.061 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.527 9.927 -8.374 1.00 0.00 C ATOM 1114 C GLY A 72 -8.754 10.464 -7.185 1.00 0.00 C ATOM 1115 O GLY A 72 -9.308 10.628 -6.098 1.00 0.00 O ATOM 0 H GLY A 72 -11.092 8.832 -7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.063 9.003 -8.718 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.465 10.640 -9.196 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.470 10.738 -7.391 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.619 11.259 -6.327 1.00 0.00 C ATOM 1121 C HIS A 73 -6.692 12.782 -6.270 1.00 0.00 C ATOM 1122 O HIS A 73 -6.069 13.411 -5.414 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.171 10.814 -6.539 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.219 11.373 -5.527 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -3.643 12.594 -5.434 1.00 0.00 N flip ATOM 1126 CD2 HIS A 73 -3.754 10.648 -4.450 1.00 0.00 C flip ATOM 1127 CE1 HIS A 73 -2.849 12.586 -4.313 1.00 0.00 C flip ATOM 1128 NE2 HIS A 73 -2.934 11.400 -3.737 1.00 0.00 N flip ATOM 0 H HIS A 73 -6.996 10.608 -8.285 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.979 10.859 -5.379 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.125 9.725 -6.506 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.849 11.117 -7.535 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.019 9.625 -4.225 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.252 13.414 -3.960 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.449 11.114 -2.887 1.00 0.00 H new ATOM 1136 N SER A 74 -7.457 13.368 -7.185 1.00 0.00 N ATOM 1137 CA SER A 74 -7.608 14.817 -7.241 1.00 0.00 C ATOM 1138 C SER A 74 -8.962 15.244 -6.684 1.00 0.00 C ATOM 1139 O SER A 74 -9.126 16.371 -6.217 1.00 0.00 O ATOM 1140 CB SER A 74 -7.457 15.312 -8.681 1.00 0.00 C ATOM 1141 OG SER A 74 -8.430 14.723 -9.527 1.00 0.00 O ATOM 0 H SER A 74 -7.982 12.861 -7.898 1.00 0.00 H new ATOM 0 HA SER A 74 -6.825 15.263 -6.627 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.556 16.397 -8.708 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.459 15.073 -9.048 1.00 0.00 H new ATOM 0 HG SER A 74 -8.314 15.057 -10.441 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.930 14.335 -6.737 1.00 0.00 N ATOM 1148 CA ALA A 75 -11.270 14.616 -6.236 1.00 0.00 C ATOM 1149 C ALA A 75 -11.480 14.000 -4.857 1.00 0.00 C ATOM 1150 O ALA A 75 -11.827 14.695 -3.902 1.00 0.00 O ATOM 1151 CB ALA A 75 -12.317 14.100 -7.212 1.00 0.00 C ATOM 0 H ALA A 75 -9.811 13.398 -7.122 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.378 15.697 -6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.313 14.316 -6.825 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.188 14.590 -8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.201 13.023 -7.334 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.270 12.691 -4.760 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.439 11.981 -3.498 1.00 0.00 C ATOM 1159 C PHE A 76 -10.719 12.707 -2.365 1.00 0.00 C ATOM 1160 O PHE A 76 -11.107 12.605 -1.200 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.910 10.550 -3.618 1.00 0.00 C ATOM 1162 CG PHE A 76 -10.924 9.795 -2.320 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -9.879 9.920 -1.419 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -11.982 8.959 -2.001 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -9.889 9.226 -0.224 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -11.998 8.263 -0.807 1.00 0.00 C ATOM 1167 CZ PHE A 76 -10.949 8.396 0.082 1.00 0.00 C ATOM 0 H PHE A 76 -10.982 12.101 -5.541 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.504 11.949 -3.268 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.510 10.010 -4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.890 10.579 -4.001 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.047 10.567 -1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.804 8.850 -2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.068 9.333 0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.829 7.616 -0.569 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.958 7.852 1.015 1.00 0.00 H new