USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 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 66 ASN : amide:sc= 0.0536 K(o=1.1,f=-10!) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.1: A 29 THR OG1 : rot -26:sc= 1.11 USER MOD Set 2.2: A 30 SER OG : rot 76:sc= 0.0535 USER MOD Set 2.3: A 33 GLN : amide:sc= 1.79 K(o=3,f=-3.9!) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0.568 USER MOD Set 3.2: A 12 TYR OH : rot 79:sc= 0.637 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 11 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.4!) USER MOD Single : A 13 THR OG1 : rot -160:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.16 K(o=-0.16,f=-9.1!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.59) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.857 K(o=-0.86,f=-3) USER MOD Single : A 69 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0389) USER MOD Single : A 73 THR OG1 : rot 80:sc= -0.0441 USER MOD Single : A 74 SER OG : rot 180:sc= 0.00249 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.819 0.283 -2.026 1.00 62.14 N ATOM 2 CA GLY A 1 2.643 -0.436 -2.479 1.00 72.30 C ATOM 3 C GLY A 1 1.795 0.383 -3.432 1.00 22.14 C ATOM 4 O GLY A 1 2.002 0.350 -4.645 1.00 61.32 O ATOM 0 H1 GLY A 1 4.365 -0.319 -1.377 1.00 62.14 H new ATOM 0 H2 GLY A 1 4.409 0.534 -2.845 1.00 62.14 H new ATOM 0 H3 GLY A 1 3.527 1.150 -1.531 1.00 62.14 H new ATOM 0 HA2 GLY A 1 2.952 -1.358 -2.972 1.00 72.30 H new ATOM 0 HA3 GLY A 1 2.041 -0.723 -1.616 1.00 72.30 H new ATOM 10 N THR A 2 0.833 1.119 -2.882 1.00 31.43 N ATOM 11 CA THR A 2 -0.052 1.946 -3.691 1.00 21.31 C ATOM 12 C THR A 2 -0.084 3.382 -3.178 1.00 71.43 C ATOM 13 O THR A 2 0.256 3.664 -2.027 1.00 32.13 O ATOM 14 CB THR A 2 -1.487 1.387 -3.705 1.00 31.02 C ATOM 15 OG1 THR A 2 -1.763 0.714 -2.472 1.00 74.52 O ATOM 16 CG2 THR A 2 -1.683 0.426 -4.869 1.00 63.13 C ATOM 0 H THR A 2 0.648 1.158 -1.880 1.00 31.43 H new ATOM 0 HA THR A 2 0.345 1.934 -4.706 1.00 21.31 H new ATOM 0 HB THR A 2 -2.177 2.222 -3.824 1.00 31.02 H new ATOM 0 HG1 THR A 2 -2.678 0.363 -2.489 1.00 74.52 H new ATOM 0 HG21 THR A 2 -2.704 0.044 -4.858 1.00 63.13 H new ATOM 0 HG22 THR A 2 -1.502 0.950 -5.808 1.00 63.13 H new ATOM 0 HG23 THR A 2 -0.984 -0.405 -4.776 1.00 63.13 H new ATOM 24 N PRO A 3 -0.502 4.313 -4.048 1.00 22.24 N ATOM 25 CA PRO A 3 -0.588 5.735 -3.704 1.00 51.53 C ATOM 26 C PRO A 3 -1.707 6.024 -2.708 1.00 21.02 C ATOM 27 O PRO A 3 -2.703 5.302 -2.653 1.00 25.42 O ATOM 28 CB PRO A 3 -0.882 6.409 -5.048 1.00 52.33 C ATOM 29 CG PRO A 3 -1.540 5.351 -5.865 1.00 61.01 C ATOM 30 CD PRO A 3 -0.921 4.049 -5.435 1.00 71.24 C ATOM 0 HA PRO A 3 0.322 6.093 -3.222 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -1.532 7.275 -4.923 1.00 52.33 H new ATOM 0 HB3 PRO A 3 0.033 6.764 -5.522 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -2.617 5.344 -5.700 1.00 61.01 H new ATOM 0 HG3 PRO A 3 -1.382 5.525 -6.929 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -1.635 3.227 -5.490 1.00 71.24 H new ATOM 0 HD3 PRO A 3 -0.074 3.779 -6.066 1.00 71.24 H new ATOM 38 N SER A 4 -1.537 7.083 -1.923 1.00 53.30 N ATOM 39 CA SER A 4 -2.530 7.465 -0.927 1.00 1.23 C ATOM 40 C SER A 4 -2.576 8.980 -0.757 1.00 70.21 C ATOM 41 O SER A 4 -1.586 9.671 -0.991 1.00 72.45 O ATOM 42 CB SER A 4 -2.220 6.799 0.415 1.00 45.22 C ATOM 43 OG SER A 4 -0.823 6.750 0.649 1.00 21.10 O ATOM 0 H SER A 4 -0.720 7.692 -1.958 1.00 53.30 H new ATOM 0 HA SER A 4 -3.506 7.127 -1.276 1.00 1.23 H new ATOM 0 HB2 SER A 4 -2.708 7.350 1.219 1.00 45.22 H new ATOM 0 HB3 SER A 4 -2.630 5.789 0.427 1.00 45.22 H new ATOM 0 HG SER A 4 -0.651 6.322 1.513 1.00 21.10 H new ATOM 49 N ALA A 5 -3.735 9.490 -0.350 1.00 44.51 N ATOM 50 CA ALA A 5 -3.909 10.921 -0.146 1.00 71.53 C ATOM 51 C ALA A 5 -2.937 11.451 0.902 1.00 64.50 C ATOM 52 O ALA A 5 -2.661 12.650 0.958 1.00 75.23 O ATOM 53 CB ALA A 5 -5.344 11.225 0.259 1.00 50.33 C ATOM 0 H ALA A 5 -4.566 8.932 -0.156 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.694 11.425 -1.088 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.460 12.298 0.408 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -6.022 10.892 -0.527 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.579 10.702 1.186 1.00 50.33 H new ATOM 59 N ASP A 6 -2.421 10.550 1.731 1.00 73.12 N ATOM 60 CA ASP A 6 -1.479 10.926 2.778 1.00 73.34 C ATOM 61 C ASP A 6 -0.115 11.268 2.185 1.00 50.31 C ATOM 62 O ASP A 6 0.683 11.971 2.805 1.00 61.44 O ATOM 63 CB ASP A 6 -1.338 9.795 3.798 1.00 32.21 C ATOM 64 CG ASP A 6 -1.144 10.311 5.211 1.00 10.24 C ATOM 65 OD1 ASP A 6 -2.158 10.579 5.888 1.00 72.44 O ATOM 66 OD2 ASP A 6 0.022 10.442 5.639 1.00 60.32 O1- ATOM 0 H ASP A 6 -2.639 9.554 1.698 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.868 11.811 3.282 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.227 9.165 3.763 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.491 9.166 3.524 1.00 32.21 H new ATOM 71 N GLN A 7 0.146 10.761 0.985 1.00 61.34 N ATOM 72 CA GLN A 7 1.413 11.011 0.309 1.00 33.32 C ATOM 73 C GLN A 7 1.467 12.431 -0.243 1.00 30.12 C ATOM 74 O GLN A 7 2.531 13.047 -0.300 1.00 65.14 O ATOM 75 CB GLN A 7 1.620 10.003 -0.822 1.00 3.44 C ATOM 76 CG GLN A 7 2.122 8.649 -0.348 1.00 3.33 C ATOM 77 CD GLN A 7 3.625 8.615 -0.159 1.00 3.22 C ATOM 78 OE1 GLN A 7 4.386 8.760 -1.116 1.00 64.11 O ATOM 79 NE2 GLN A 7 4.062 8.427 1.081 1.00 43.14 N ATOM 0 H GLN A 7 -0.503 10.174 0.461 1.00 61.34 H new ATOM 0 HA GLN A 7 2.213 10.896 1.040 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.677 9.866 -1.352 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.332 10.414 -1.538 1.00 3.44 H new ATOM 0 HG2 GLN A 7 1.636 8.395 0.594 1.00 3.33 H new ATOM 0 HG3 GLN A 7 1.834 7.886 -1.071 1.00 3.33 H new ATOM 0 HE21 GLN A 7 3.396 8.311 1.845 1.00 43.14 H new ATOM 0 HE22 GLN A 7 5.064 8.398 1.270 1.00 43.14 H new ATOM 88 N VAL A 8 0.310 12.946 -0.650 1.00 11.23 N ATOM 89 CA VAL A 8 0.226 14.294 -1.197 1.00 70.32 C ATOM 90 C VAL A 8 0.043 15.327 -0.090 1.00 51.41 C ATOM 91 O VAL A 8 -0.166 16.510 -0.359 1.00 2.43 O ATOM 92 CB VAL A 8 -0.938 14.421 -2.199 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.709 13.519 -3.401 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.260 14.094 -1.521 1.00 21.21 C ATOM 0 H VAL A 8 -0.580 12.450 -0.611 1.00 11.23 H new ATOM 0 HA VAL A 8 1.166 14.484 -1.715 1.00 70.32 H new ATOM 0 HB VAL A 8 -0.981 15.451 -2.552 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.541 13.622 -4.097 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.218 13.804 -3.899 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.639 12.483 -3.070 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.072 14.188 -2.242 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.230 13.073 -1.139 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.426 14.786 -0.695 1.00 21.21 H new ATOM 104 N ARG A 9 0.124 14.871 1.155 1.00 23.24 N ATOM 105 CA ARG A 9 -0.034 15.754 2.305 1.00 13.23 C ATOM 106 C ARG A 9 1.014 16.864 2.284 1.00 52.15 C ATOM 107 O ARG A 9 1.824 16.950 1.361 1.00 24.40 O ATOM 108 CB ARG A 9 0.078 14.957 3.606 1.00 64.10 C ATOM 109 CG ARG A 9 -1.194 14.211 3.974 1.00 33.12 C ATOM 110 CD ARG A 9 -2.210 15.133 4.630 1.00 30.54 C ATOM 111 NE ARG A 9 -3.533 14.520 4.711 1.00 63.31 N ATOM 112 CZ ARG A 9 -4.526 15.009 5.445 1.00 44.51 C ATOM 113 NH1 ARG A 9 -4.347 16.111 6.159 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -5.702 14.394 5.466 1.00 52.12 N ATOM 0 H ARG A 9 0.298 13.895 1.394 1.00 23.24 H new ATOM 0 HA ARG A 9 -1.023 16.209 2.250 1.00 13.23 H new ATOM 0 HB2 ARG A 9 0.895 14.242 3.515 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.338 15.637 4.417 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.629 13.767 3.079 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.954 13.392 4.652 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -1.869 15.393 5.632 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -2.275 16.062 4.064 1.00 30.54 H new ATOM 0 HE ARG A 9 -3.704 13.670 4.174 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -3.445 16.586 6.146 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -5.112 16.484 6.722 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -5.844 13.545 4.918 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -6.464 14.770 6.030 1.00 52.12 H new ATOM 128 N TYR A 10 0.991 17.711 3.307 1.00 14.33 N ATOM 129 CA TYR A 10 1.937 18.816 3.406 1.00 71.55 C ATOM 130 C TYR A 10 2.385 19.023 4.849 1.00 52.43 C ATOM 131 O TYR A 10 1.739 18.554 5.785 1.00 74.35 O ATOM 132 CB TYR A 10 1.308 20.102 2.865 1.00 34.44 C ATOM 133 CG TYR A 10 0.199 20.646 3.739 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.482 21.465 4.825 1.00 21.35 C ATOM 135 CD2 TYR A 10 -1.131 20.340 3.478 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.528 21.964 5.625 1.00 1.11 C ATOM 137 CE2 TYR A 10 -2.147 20.836 4.271 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.840 21.647 5.343 1.00 2.14 C ATOM 139 OH TYR A 10 -2.848 22.142 6.138 1.00 11.10 O ATOM 0 H TYR A 10 0.327 17.653 4.080 1.00 14.33 H new ATOM 0 HA TYR A 10 2.812 18.567 2.806 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.084 20.861 2.762 1.00 34.44 H new ATOM 0 HB3 TYR A 10 0.913 19.912 1.867 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.509 21.716 5.048 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.374 19.703 2.640 1.00 40.41 H new ATOM 0 HE1 TYR A 10 -0.291 22.599 6.466 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -3.176 20.590 4.053 1.00 61.22 H new ATOM 0 HH TYR A 10 -3.713 21.826 5.804 1.00 11.10 H new ATOM 149 N ASN A 11 3.497 19.731 5.020 1.00 42.23 N ATOM 150 CA ASN A 11 4.033 20.002 6.350 1.00 42.31 C ATOM 151 C ASN A 11 4.180 21.503 6.582 1.00 20.03 C ATOM 152 O ASN A 11 4.540 22.250 5.672 1.00 44.41 O ATOM 153 CB ASN A 11 5.389 19.314 6.525 1.00 13.35 C ATOM 154 CG ASN A 11 6.517 20.082 5.866 1.00 32.15 C ATOM 155 OD1 ASN A 11 6.358 20.623 4.772 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.666 20.132 6.532 1.00 62.24 N ATOM 0 H ASN A 11 4.044 20.127 4.256 1.00 42.23 H new ATOM 0 HA ASN A 11 3.332 19.605 7.085 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.602 19.202 7.588 1.00 13.35 H new ATOM 0 HB3 ASN A 11 5.341 18.310 6.102 1.00 13.35 H new ATOM 0 HD21 ASN A 11 8.462 20.634 6.139 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.752 19.668 7.436 1.00 62.24 H new ATOM 163 N TYR A 12 3.896 21.936 7.804 1.00 45.02 N ATOM 164 CA TYR A 12 3.994 23.348 8.157 1.00 72.31 C ATOM 165 C TYR A 12 5.451 23.765 8.337 1.00 31.24 C ATOM 166 O TYR A 12 6.117 23.344 9.282 1.00 51.10 O ATOM 167 CB TYR A 12 3.208 23.631 9.439 1.00 11.32 C ATOM 168 CG TYR A 12 1.709 23.573 9.257 1.00 4.11 C ATOM 169 CD1 TYR A 12 1.051 24.498 8.456 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.950 22.592 9.883 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.319 24.448 8.286 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.420 22.534 9.719 1.00 33.51 C ATOM 173 CZ TYR A 12 -1.050 23.465 8.919 1.00 53.13 C ATOM 174 OH TYR A 12 -2.415 23.412 8.751 1.00 31.24 O ATOM 0 H TYR A 12 3.596 21.330 8.568 1.00 45.02 H new ATOM 0 HA TYR A 12 3.567 23.931 7.341 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.501 22.909 10.201 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.482 24.618 9.812 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.620 25.269 7.958 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.440 21.861 10.509 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.815 25.175 7.660 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -0.995 21.765 10.214 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.623 22.995 7.889 1.00 31.24 H new ATOM 184 N THR A 13 5.938 24.598 7.423 1.00 52.44 N ATOM 185 CA THR A 13 7.315 25.072 7.477 1.00 21.44 C ATOM 186 C THR A 13 7.368 26.593 7.582 1.00 1.51 C ATOM 187 O THR A 13 6.373 27.275 7.341 1.00 61.40 O ATOM 188 CB THR A 13 8.113 24.626 6.239 1.00 0.51 C ATOM 189 OG1 THR A 13 7.658 25.333 5.081 1.00 12.51 O ATOM 190 CG2 THR A 13 7.968 23.128 6.013 1.00 33.31 C ATOM 0 H THR A 13 5.399 24.959 6.636 1.00 52.44 H new ATOM 0 HA THR A 13 7.766 24.632 8.367 1.00 21.44 H new ATOM 0 HB THR A 13 9.165 24.852 6.412 1.00 0.51 H new ATOM 0 HG1 THR A 13 7.923 24.844 4.274 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.541 22.836 5.133 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.343 22.591 6.884 1.00 33.31 H new ATOM 0 HG23 THR A 13 6.917 22.883 5.860 1.00 33.31 H new ATOM 198 N GLU A 14 8.536 27.116 7.941 1.00 33.12 N ATOM 199 CA GLU A 14 8.718 28.556 8.075 1.00 45.32 C ATOM 200 C GLU A 14 9.309 29.153 6.802 1.00 72.14 C ATOM 201 O GLU A 14 10.174 28.551 6.165 1.00 2.41 O ATOM 202 CB GLU A 14 9.627 28.869 9.267 1.00 43.44 C ATOM 203 CG GLU A 14 8.988 29.787 10.295 1.00 35.42 C ATOM 204 CD GLU A 14 9.957 30.209 11.381 1.00 64.44 C ATOM 205 OE1 GLU A 14 10.563 29.320 12.013 1.00 12.22 O ATOM 206 OE2 GLU A 14 10.110 31.429 11.601 1.00 31.43 O1- ATOM 0 H GLU A 14 9.370 26.564 8.144 1.00 33.12 H new ATOM 0 HA GLU A 14 7.739 29.004 8.244 1.00 45.32 H new ATOM 0 HB2 GLU A 14 9.910 27.935 9.752 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.545 29.329 8.902 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.601 30.674 9.794 1.00 35.42 H new ATOM 0 HG3 GLU A 14 8.137 29.281 10.750 1.00 35.42 H new ATOM 213 N LEU A 15 8.834 30.337 6.435 1.00 31.01 N ATOM 214 CA LEU A 15 9.314 31.017 5.236 1.00 75.52 C ATOM 215 C LEU A 15 10.128 32.254 5.600 1.00 52.53 C ATOM 216 O LEU A 15 10.010 32.805 6.694 1.00 52.44 O ATOM 217 CB LEU A 15 8.136 31.411 4.342 1.00 45.14 C ATOM 218 CG LEU A 15 7.590 30.314 3.428 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.171 30.640 2.991 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.494 30.132 2.217 1.00 34.00 C ATOM 0 H LEU A 15 8.116 30.847 6.950 1.00 31.01 H new ATOM 0 HA LEU A 15 9.960 30.328 4.692 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.324 31.763 4.979 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.442 32.253 3.722 1.00 45.14 H new ATOM 0 HG LEU A 15 7.570 29.378 3.987 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.799 29.848 2.341 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.529 30.720 3.869 1.00 24.13 H new ATOM 0 HD13 LEU A 15 6.165 31.586 2.450 1.00 24.13 H new ATOM 0 HD21 LEU A 15 8.091 29.347 1.577 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.545 31.066 1.658 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.494 29.852 2.548 1.00 34.00 H new ATOM 232 N PRO A 16 10.973 32.704 4.660 1.00 52.33 N ATOM 233 CA PRO A 16 11.821 33.883 4.858 1.00 73.22 C ATOM 234 C PRO A 16 11.016 35.177 4.892 1.00 42.24 C ATOM 235 O PRO A 16 11.494 36.204 5.374 1.00 30.55 O ATOM 236 CB PRO A 16 12.748 33.862 3.639 1.00 54.14 C ATOM 237 CG PRO A 16 11.985 33.120 2.596 1.00 53.42 C ATOM 238 CD PRO A 16 11.165 32.096 3.333 1.00 70.53 C ATOM 0 HA PRO A 16 12.347 33.851 5.812 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.991 34.872 3.309 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.691 33.366 3.867 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.346 33.795 2.026 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.659 32.642 1.885 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.214 31.909 2.835 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.683 31.139 3.400 1.00 70.53 H new ATOM 246 N ASN A 17 9.791 35.121 4.379 1.00 3.13 N ATOM 247 CA ASN A 17 8.919 36.289 4.352 1.00 21.43 C ATOM 248 C ASN A 17 8.251 36.502 5.708 1.00 30.55 C ATOM 249 O ASN A 17 7.557 37.495 5.921 1.00 12.42 O ATOM 250 CB ASN A 17 7.853 36.131 3.266 1.00 30.03 C ATOM 251 CG ASN A 17 6.814 35.086 3.624 1.00 50.24 C ATOM 252 OD1 ASN A 17 7.051 34.222 4.469 1.00 12.44 O ATOM 253 ND2 ASN A 17 5.655 35.160 2.979 1.00 24.23 N ATOM 0 H ASN A 17 9.380 34.279 3.976 1.00 3.13 H new ATOM 0 HA ASN A 17 9.531 37.162 4.127 1.00 21.43 H new ATOM 0 HB2 ASN A 17 7.360 37.089 3.103 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.333 35.856 2.327 1.00 30.03 H new ATOM 0 HD21 ASN A 17 4.917 34.484 3.176 1.00 24.23 H new ATOM 0 HD22 ASN A 17 5.503 35.893 2.286 1.00 24.23 H new ATOM 260 N GLY A 18 8.468 35.562 6.623 1.00 75.24 N ATOM 261 CA GLY A 18 7.882 35.664 7.946 1.00 63.13 C ATOM 262 C GLY A 18 6.715 34.718 8.139 1.00 23.55 C ATOM 263 O GLY A 18 6.399 34.332 9.263 1.00 61.41 O ATOM 0 H GLY A 18 9.040 34.731 6.471 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.645 35.452 8.695 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.547 36.688 8.113 1.00 63.13 H new ATOM 267 N GLU A 19 6.070 34.345 7.037 1.00 64.42 N ATOM 268 CA GLU A 19 4.929 33.438 7.091 1.00 70.10 C ATOM 269 C GLU A 19 5.390 31.985 7.146 1.00 45.33 C ATOM 270 O GLU A 19 6.586 31.704 7.225 1.00 50.13 O ATOM 271 CB GLU A 19 4.023 33.651 5.876 1.00 2.11 C ATOM 272 CG GLU A 19 3.723 35.113 5.590 1.00 53.05 C ATOM 273 CD GLU A 19 3.269 35.869 6.824 1.00 73.31 C ATOM 274 OE1 GLU A 19 2.105 35.685 7.236 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 4.078 36.643 7.376 1.00 64.10 O ATOM 0 H GLU A 19 6.318 34.656 6.098 1.00 64.42 H new ATOM 0 HA GLU A 19 4.367 33.657 7.999 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.495 33.207 4.999 1.00 2.11 H new ATOM 0 HB3 GLU A 19 3.084 33.121 6.036 1.00 2.11 H new ATOM 0 HG2 GLU A 19 4.615 35.590 5.184 1.00 53.05 H new ATOM 0 HG3 GLU A 19 2.950 35.178 4.824 1.00 53.05 H new ATOM 282 N TYR A 20 4.432 31.065 7.106 1.00 61.53 N ATOM 283 CA TYR A 20 4.737 29.640 7.156 1.00 34.14 C ATOM 284 C TYR A 20 4.764 29.040 5.754 1.00 55.31 C ATOM 285 O TYR A 20 5.820 28.660 5.247 1.00 31.44 O ATOM 286 CB TYR A 20 3.710 28.906 8.018 1.00 60.13 C ATOM 287 CG TYR A 20 4.159 28.693 9.446 1.00 60.13 C ATOM 288 CD1 TYR A 20 3.951 29.668 10.415 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.791 27.515 9.827 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.360 29.477 11.719 1.00 4.43 C ATOM 291 CE2 TYR A 20 5.202 27.317 11.131 1.00 61.50 C ATOM 292 CZ TYR A 20 4.985 28.300 12.073 1.00 52.13 C ATOM 293 OH TYR A 20 5.393 28.107 13.373 1.00 70.22 O ATOM 0 H TYR A 20 3.437 31.281 7.039 1.00 61.53 H new ATOM 0 HA TYR A 20 5.725 29.521 7.602 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.779 29.472 8.020 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.494 27.938 7.566 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.461 30.591 10.142 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.963 26.743 9.092 1.00 15.40 H new ATOM 0 HE1 TYR A 20 4.191 30.246 12.459 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.691 26.396 11.411 1.00 61.50 H new ATOM 0 HH TYR A 20 5.815 27.226 13.456 1.00 70.22 H new ATOM 303 N CYS A 21 3.593 28.958 5.131 1.00 45.41 N ATOM 304 CA CYS A 21 3.477 28.406 3.786 1.00 22.34 C ATOM 305 C CYS A 21 2.049 28.534 3.265 1.00 21.40 C ATOM 306 O CYS A 21 1.090 28.485 4.036 1.00 34.13 O ATOM 307 CB CYS A 21 3.906 26.936 3.779 1.00 14.31 C ATOM 308 SG CYS A 21 2.696 25.805 4.540 1.00 72.04 S ATOM 0 H CYS A 21 2.710 29.267 5.537 1.00 45.41 H new ATOM 0 HA CYS A 21 4.135 28.974 3.128 1.00 22.34 H new ATOM 0 HB2 CYS A 21 4.081 26.624 2.749 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.856 26.843 4.306 1.00 14.31 H new ATOM 313 N TYR A 22 1.916 28.696 1.954 1.00 73.41 N ATOM 314 CA TYR A 22 0.607 28.833 1.330 1.00 25.14 C ATOM 315 C TYR A 22 -0.052 27.469 1.140 1.00 21.32 C ATOM 316 O TYR A 22 0.473 26.605 0.438 1.00 14.24 O ATOM 317 CB TYR A 22 0.733 29.544 -0.019 1.00 71.24 C ATOM 318 CG TYR A 22 0.862 31.045 0.098 1.00 53.20 C ATOM 319 CD1 TYR A 22 0.024 31.771 0.934 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.821 31.738 -0.630 1.00 33.03 C ATOM 321 CE1 TYR A 22 0.137 33.143 1.043 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.944 33.110 -0.526 1.00 75.54 C ATOM 323 CZ TYR A 22 1.099 33.809 0.312 1.00 12.31 C ATOM 324 OH TYR A 22 1.216 35.176 0.416 1.00 10.53 O ATOM 0 H TYR A 22 2.700 28.736 1.302 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.021 29.431 1.990 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.603 29.153 -0.546 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.141 29.309 -0.627 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.729 31.253 1.509 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.482 31.195 -1.289 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.524 33.692 1.697 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.697 33.633 -1.097 1.00 75.54 H new ATOM 0 HH TYR A 22 1.943 35.487 -0.163 1.00 10.53 H new ATOM 334 N THR A 23 -1.209 27.285 1.770 1.00 31.22 N ATOM 335 CA THR A 23 -1.940 26.029 1.672 1.00 12.23 C ATOM 336 C THR A 23 -2.082 25.587 0.220 1.00 3.11 C ATOM 337 O THR A 23 -1.913 26.372 -0.713 1.00 50.51 O ATOM 338 CB THR A 23 -3.342 26.145 2.301 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.759 27.515 2.318 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.348 25.589 3.716 1.00 42.22 C ATOM 0 H THR A 23 -1.659 27.991 2.353 1.00 31.22 H new ATOM 0 HA THR A 23 -1.364 25.284 2.221 1.00 12.23 H new ATOM 0 HB THR A 23 -4.037 25.562 1.697 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.651 27.580 2.718 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.348 25.682 4.139 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.059 24.538 3.695 1.00 42.22 H new ATOM 0 HG23 THR A 23 -2.641 26.148 4.329 1.00 42.22 H new ATOM 348 N PRO A 24 -2.399 24.299 0.022 1.00 10.51 N ATOM 349 CA PRO A 24 -2.571 23.724 -1.316 1.00 1.33 C ATOM 350 C PRO A 24 -3.824 24.241 -2.013 1.00 0.42 C ATOM 351 O PRO A 24 -4.771 24.685 -1.362 1.00 21.20 O ATOM 352 CB PRO A 24 -2.694 22.222 -1.042 1.00 42.41 C ATOM 353 CG PRO A 24 -3.204 22.131 0.354 1.00 13.41 C ATOM 354 CD PRO A 24 -2.616 23.305 1.087 1.00 22.44 C ATOM 0 HA PRO A 24 -1.748 23.985 -1.981 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.378 21.746 -1.745 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.732 21.721 -1.145 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.293 22.164 0.374 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -2.905 21.191 0.818 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.293 23.680 1.854 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.684 23.041 1.586 1.00 22.44 H new ATOM 362 N ARG A 25 -3.825 24.183 -3.340 1.00 41.50 N ATOM 363 CA ARG A 25 -4.962 24.648 -4.126 1.00 11.30 C ATOM 364 C ARG A 25 -5.158 26.152 -3.962 1.00 42.24 C ATOM 365 O ARG A 25 -6.224 26.686 -4.269 1.00 30.50 O ATOM 366 CB ARG A 25 -6.234 23.908 -3.708 1.00 71.35 C ATOM 367 CG ARG A 25 -6.064 22.401 -3.632 1.00 24.20 C ATOM 368 CD ARG A 25 -6.301 21.744 -4.985 1.00 13.12 C ATOM 369 NE ARG A 25 -5.385 22.250 -6.005 1.00 61.42 N ATOM 370 CZ ARG A 25 -4.084 21.982 -6.021 1.00 63.21 C ATOM 371 NH1 ARG A 25 -3.549 21.217 -5.078 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -3.316 22.477 -6.983 1.00 31.52 N ATOM 0 H ARG A 25 -3.050 23.818 -3.895 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.756 24.439 -5.176 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.556 24.278 -2.735 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -7.029 24.140 -4.417 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -5.059 22.164 -3.282 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -6.761 21.992 -2.900 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -6.179 20.665 -4.891 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -7.329 21.922 -5.300 1.00 13.12 H new ATOM 0 HE ARG A 25 -5.765 22.841 -6.745 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -4.137 20.833 -4.338 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -2.550 21.013 -5.093 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -3.724 23.064 -7.711 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -2.317 22.271 -6.995 1.00 31.52 H new ATOM 386 N ARG A 26 -4.123 26.829 -3.475 1.00 23.54 N ATOM 387 CA ARG A 26 -4.181 28.271 -3.267 1.00 14.21 C ATOM 388 C ARG A 26 -3.329 29.003 -4.299 1.00 22.51 C ATOM 389 O ARG A 26 -2.261 28.529 -4.686 1.00 34.12 O ATOM 390 CB ARG A 26 -3.709 28.625 -1.857 1.00 32.13 C ATOM 391 CG ARG A 26 -4.604 29.630 -1.150 1.00 14.42 C ATOM 392 CD ARG A 26 -3.943 30.996 -1.058 1.00 12.23 C ATOM 393 NE ARG A 26 -4.925 32.074 -0.957 1.00 53.14 N ATOM 394 CZ ARG A 26 -4.598 33.357 -0.850 1.00 71.13 C ATOM 395 NH1 ARG A 26 -3.324 33.722 -0.830 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -5.549 34.279 -0.762 1.00 33.14 N ATOM 0 H ARG A 26 -3.234 26.402 -3.217 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.217 28.588 -3.385 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.658 27.714 -1.261 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.697 29.027 -1.912 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.549 29.717 -1.686 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -4.838 29.269 -0.148 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -3.285 31.023 -0.189 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -3.318 31.156 -1.936 1.00 12.23 H new ATOM 0 HE ARG A 26 -5.915 31.828 -0.969 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -2.590 33.017 -0.897 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -3.077 34.708 -0.748 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -6.531 34.002 -0.777 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -5.298 35.264 -0.680 1.00 33.14 H new ATOM 410 N ARG A 27 -3.809 30.160 -4.742 1.00 50.31 N ATOM 411 CA ARG A 27 -3.093 30.958 -5.731 1.00 40.43 C ATOM 412 C ARG A 27 -1.749 31.428 -5.181 1.00 64.30 C ATOM 413 O ARG A 27 -1.693 32.133 -4.172 1.00 33.14 O ATOM 414 CB ARG A 27 -3.933 32.165 -6.152 1.00 5.30 C ATOM 415 CG ARG A 27 -3.175 33.167 -7.006 1.00 61.13 C ATOM 416 CD ARG A 27 -4.086 34.278 -7.502 1.00 24.42 C ATOM 417 NE ARG A 27 -4.334 35.284 -6.472 1.00 40.41 N ATOM 418 CZ ARG A 27 -4.964 36.431 -6.702 1.00 44.13 C ATOM 419 NH1 ARG A 27 -5.408 36.716 -7.918 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -5.151 37.296 -5.713 1.00 21.32 N ATOM 0 H ARG A 27 -4.692 30.566 -4.432 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.911 30.330 -6.603 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.805 31.815 -6.705 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -4.303 32.668 -5.259 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -2.358 33.597 -6.426 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.727 32.655 -7.858 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -3.636 34.754 -8.373 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -5.035 33.851 -7.827 1.00 24.42 H new ATOM 0 HE ARG A 27 -4.006 35.096 -5.525 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -5.266 36.054 -8.681 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -5.891 37.597 -8.091 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -4.811 37.080 -4.776 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -5.635 38.176 -5.890 1.00 21.32 H new ATOM 434 N CYS A 28 -0.672 31.031 -5.847 1.00 43.33 N ATOM 435 CA CYS A 28 0.672 31.410 -5.424 1.00 31.31 C ATOM 436 C CYS A 28 1.479 31.951 -6.600 1.00 63.13 C ATOM 437 O CYS A 28 0.995 32.001 -7.732 1.00 50.44 O ATOM 438 CB CYS A 28 1.392 30.210 -4.806 1.00 52.41 C ATOM 439 SG CYS A 28 1.361 28.710 -5.839 1.00 5.44 S ATOM 0 H CYS A 28 -0.702 30.447 -6.682 1.00 43.33 H new ATOM 0 HA CYS A 28 0.582 32.197 -4.675 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.429 30.483 -4.612 1.00 52.41 H new ATOM 0 HB3 CYS A 28 0.936 29.984 -3.842 1.00 52.41 H new ATOM 444 N THR A 29 2.717 32.355 -6.327 1.00 73.01 N ATOM 445 CA THR A 29 3.592 32.892 -7.360 1.00 32.12 C ATOM 446 C THR A 29 4.904 32.118 -7.427 1.00 33.55 C ATOM 447 O THR A 29 5.462 31.915 -8.505 1.00 51.13 O ATOM 448 CB THR A 29 3.899 34.381 -7.118 1.00 20.25 C ATOM 449 OG1 THR A 29 4.595 34.543 -5.876 1.00 30.25 O ATOM 450 CG2 THR A 29 2.618 35.202 -7.096 1.00 44.55 C ATOM 0 H THR A 29 3.135 32.320 -5.397 1.00 73.01 H new ATOM 0 HA THR A 29 3.063 32.787 -8.307 1.00 32.12 H new ATOM 0 HB THR A 29 4.526 34.736 -7.936 1.00 20.25 H new ATOM 0 HG1 THR A 29 4.365 33.805 -5.273 1.00 30.25 H new ATOM 0 HG21 THR A 29 2.861 36.251 -6.924 1.00 44.55 H new ATOM 0 HG22 THR A 29 2.105 35.101 -8.052 1.00 44.55 H new ATOM 0 HG23 THR A 29 1.970 34.843 -6.296 1.00 44.55 H new ATOM 458 N SER A 30 5.391 31.688 -6.267 1.00 63.54 N ATOM 459 CA SER A 30 6.640 30.940 -6.195 1.00 12.44 C ATOM 460 C SER A 30 6.427 29.596 -5.505 1.00 32.23 C ATOM 461 O SER A 30 5.637 29.484 -4.569 1.00 42.24 O ATOM 462 CB SER A 30 7.701 31.748 -5.445 1.00 1.42 C ATOM 463 OG SER A 30 7.544 33.137 -5.679 1.00 24.25 O ATOM 0 H SER A 30 4.940 31.845 -5.366 1.00 63.54 H new ATOM 0 HA SER A 30 6.985 30.757 -7.213 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.629 31.546 -4.376 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.695 31.433 -5.763 1.00 1.42 H new ATOM 0 HG SER A 30 6.787 33.473 -5.156 1.00 24.25 H new ATOM 469 N ALA A 31 7.140 28.577 -5.975 1.00 62.45 N ATOM 470 CA ALA A 31 7.034 27.241 -5.403 1.00 32.30 C ATOM 471 C ALA A 31 7.478 27.229 -3.944 1.00 10.12 C ATOM 472 O ALA A 31 6.913 26.513 -3.118 1.00 65.45 O ATOM 473 CB ALA A 31 7.855 26.251 -6.216 1.00 44.20 C ATOM 0 H ALA A 31 7.798 28.652 -6.751 1.00 62.45 H new ATOM 0 HA ALA A 31 5.987 26.941 -5.438 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.766 25.257 -5.777 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.487 26.229 -7.242 1.00 44.20 H new ATOM 0 HB3 ALA A 31 8.901 26.557 -6.213 1.00 44.20 H new ATOM 479 N ASP A 32 8.495 28.027 -3.636 1.00 12.20 N ATOM 480 CA ASP A 32 9.016 28.110 -2.276 1.00 73.45 C ATOM 481 C ASP A 32 7.901 28.430 -1.285 1.00 71.20 C ATOM 482 O ASP A 32 7.894 27.927 -0.162 1.00 64.22 O ATOM 483 CB ASP A 32 10.113 29.173 -2.191 1.00 74.03 C ATOM 484 CG ASP A 32 11.049 28.945 -1.021 1.00 11.45 C ATOM 485 OD1 ASP A 32 11.017 27.840 -0.440 1.00 52.31 O ATOM 486 OD2 ASP A 32 11.816 29.872 -0.687 1.00 51.42 O1- ATOM 0 H ASP A 32 8.975 28.625 -4.309 1.00 12.20 H new ATOM 0 HA ASP A 32 9.440 27.140 -2.016 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.687 29.173 -3.117 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.655 30.158 -2.100 1.00 74.03 H new ATOM 491 N GLN A 33 6.963 29.271 -1.709 1.00 13.05 N ATOM 492 CA GLN A 33 5.845 29.659 -0.858 1.00 61.53 C ATOM 493 C GLN A 33 4.887 28.490 -0.651 1.00 21.20 C ATOM 494 O GLN A 33 4.356 28.296 0.444 1.00 62.33 O ATOM 495 CB GLN A 33 5.098 30.845 -1.471 1.00 1.33 C ATOM 496 CG GLN A 33 6.012 31.974 -1.919 1.00 24.41 C ATOM 497 CD GLN A 33 5.268 33.065 -2.662 1.00 55.02 C ATOM 498 OE1 GLN A 33 4.999 32.947 -3.857 1.00 20.05 O ATOM 499 NE2 GLN A 33 4.932 34.139 -1.956 1.00 41.24 N ATOM 0 H GLN A 33 6.955 29.696 -2.636 1.00 13.05 H new ATOM 0 HA GLN A 33 6.244 29.953 0.113 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.519 30.496 -2.326 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.387 31.232 -0.741 1.00 1.33 H new ATOM 0 HG2 GLN A 33 6.506 32.404 -1.048 1.00 24.41 H new ATOM 0 HG3 GLN A 33 6.794 31.570 -2.562 1.00 24.41 H new ATOM 0 HE21 GLN A 33 5.175 34.196 -0.967 1.00 41.24 H new ATOM 0 HE22 GLN A 33 4.431 34.907 -2.403 1.00 41.24 H new ATOM 508 N CYS A 34 4.669 27.717 -1.708 1.00 20.44 N ATOM 509 CA CYS A 34 3.775 26.567 -1.644 1.00 42.12 C ATOM 510 C CYS A 34 4.228 25.583 -0.569 1.00 14.23 C ATOM 511 O CYS A 34 5.390 25.178 -0.534 1.00 24.15 O ATOM 512 CB CYS A 34 3.714 25.864 -3.001 1.00 20.31 C ATOM 513 SG CYS A 34 2.843 24.263 -2.971 1.00 43.23 S ATOM 0 H CYS A 34 5.099 27.866 -2.621 1.00 20.44 H new ATOM 0 HA CYS A 34 2.780 26.928 -1.385 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.220 26.521 -3.717 1.00 20.31 H new ATOM 0 HB3 CYS A 34 4.730 25.706 -3.362 1.00 20.31 H new ATOM 518 N CYS A 35 3.303 25.204 0.307 1.00 63.44 N ATOM 519 CA CYS A 35 3.606 24.269 1.383 1.00 62.12 C ATOM 520 C CYS A 35 4.291 23.017 0.840 1.00 75.41 C ATOM 521 O CYS A 35 3.897 22.483 -0.196 1.00 52.33 O ATOM 522 CB CYS A 35 2.327 23.880 2.126 1.00 15.41 C ATOM 523 SG CYS A 35 1.535 25.262 3.013 1.00 54.35 S ATOM 0 H CYS A 35 2.337 25.531 0.292 1.00 63.44 H new ATOM 0 HA CYS A 35 4.286 24.763 2.077 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.616 23.465 1.412 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.560 23.090 2.840 1.00 15.41 H new ATOM 528 N ARG A 36 5.318 22.557 1.547 1.00 74.42 N ATOM 529 CA ARG A 36 6.058 21.370 1.136 1.00 31.31 C ATOM 530 C ARG A 36 5.324 20.099 1.554 1.00 11.50 C ATOM 531 O ARG A 36 4.466 20.111 2.438 1.00 64.44 O ATOM 532 CB ARG A 36 7.463 21.384 1.741 1.00 74.21 C ATOM 533 CG ARG A 36 8.486 22.111 0.888 1.00 33.43 C ATOM 534 CD ARG A 36 9.765 22.387 1.664 1.00 52.41 C ATOM 535 NE ARG A 36 9.684 23.631 2.426 1.00 64.13 N ATOM 536 CZ ARG A 36 10.728 24.196 3.022 1.00 24.21 C ATOM 537 NH1 ARG A 36 11.926 23.633 2.943 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 10.574 25.327 3.696 1.00 13.25 N ATOM 0 H ARG A 36 5.657 22.988 2.407 1.00 74.42 H new ATOM 0 HA ARG A 36 6.138 21.381 0.049 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.422 21.855 2.723 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.794 20.357 1.893 1.00 74.21 H new ATOM 0 HG2 ARG A 36 8.716 21.513 0.006 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.064 23.052 0.534 1.00 33.43 H new ATOM 0 HD2 ARG A 36 9.963 21.558 2.343 1.00 52.41 H new ATOM 0 HD3 ARG A 36 10.605 22.440 0.972 1.00 52.41 H new ATOM 0 HE ARG A 36 8.777 24.090 2.505 1.00 64.13 H new ATOM 0 HH11 ARG A 36 12.048 22.764 2.423 1.00 61.22 H new ATOM 0 HH12 ARG A 36 12.726 24.069 3.402 1.00 61.22 H new ATOM 0 HH21 ARG A 36 9.654 25.763 3.757 1.00 13.25 H new ATOM 0 HH22 ARG A 36 11.376 25.761 4.154 1.00 13.25 H new ATOM 552 N PRO A 37 5.667 18.977 0.906 1.00 2.54 N ATOM 553 CA PRO A 37 5.051 17.677 1.193 1.00 73.11 C ATOM 554 C PRO A 37 5.462 17.131 2.557 1.00 25.00 C ATOM 555 O PRO A 37 6.560 17.405 3.041 1.00 22.30 O ATOM 556 CB PRO A 37 5.583 16.777 0.075 1.00 11.35 C ATOM 557 CG PRO A 37 6.868 17.409 -0.339 1.00 4.20 C ATOM 558 CD PRO A 37 6.680 18.888 -0.158 1.00 42.10 C ATOM 0 HA PRO A 37 3.963 17.740 1.227 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.738 15.757 0.427 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.882 16.723 -0.758 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.696 17.044 0.269 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.104 17.170 -1.376 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.610 19.379 0.131 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.340 19.365 -1.077 1.00 42.10 H new ATOM 566 N TYR A 38 4.574 16.359 3.171 1.00 62.25 N ATOM 567 CA TYR A 38 4.843 15.775 4.481 1.00 14.44 C ATOM 568 C TYR A 38 6.110 14.925 4.447 1.00 34.42 C ATOM 569 O TYR A 38 6.827 14.822 5.442 1.00 11.41 O ATOM 570 CB TYR A 38 3.657 14.926 4.939 1.00 22.13 C ATOM 571 CG TYR A 38 3.619 14.692 6.432 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.522 13.828 7.042 1.00 30.11 C ATOM 573 CD2 TYR A 38 2.682 15.332 7.233 1.00 41.20 C ATOM 574 CE1 TYR A 38 4.492 13.612 8.405 1.00 14.55 C ATOM 575 CE2 TYR A 38 2.645 15.122 8.597 1.00 22.03 C ATOM 576 CZ TYR A 38 3.552 14.259 9.179 1.00 53.42 C ATOM 577 OH TYR A 38 3.517 14.046 10.538 1.00 22.44 O ATOM 0 H TYR A 38 3.661 16.122 2.783 1.00 62.25 H new ATOM 0 HA TYR A 38 4.992 16.589 5.190 1.00 14.44 H new ATOM 0 HB2 TYR A 38 2.732 15.414 4.633 1.00 22.13 H new ATOM 0 HB3 TYR A 38 3.693 13.963 4.430 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.259 13.318 6.439 1.00 30.11 H new ATOM 0 HD2 TYR A 38 1.970 16.006 6.781 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.202 12.939 8.863 1.00 14.55 H new ATOM 0 HE2 TYR A 38 1.911 15.630 9.205 1.00 22.03 H new ATOM 0 HH TYR A 38 2.796 14.579 10.934 1.00 22.44 H new ATOM 587 N ASP A 39 6.376 14.316 3.297 1.00 32.30 N ATOM 588 CA ASP A 39 7.555 13.475 3.132 1.00 33.55 C ATOM 589 C ASP A 39 8.351 13.892 1.899 1.00 15.11 C ATOM 590 O ASP A 39 8.102 13.410 0.793 1.00 13.04 O ATOM 591 CB ASP A 39 7.148 12.005 3.020 1.00 24.25 C ATOM 592 CG ASP A 39 5.945 11.804 2.119 1.00 54.15 C ATOM 593 OD1 ASP A 39 6.132 11.716 0.888 1.00 4.51 O ATOM 594 OD2 ASP A 39 4.815 11.737 2.647 1.00 23.30 O1- ATOM 0 H ASP A 39 5.791 14.389 2.465 1.00 32.30 H new ATOM 0 HA ASP A 39 8.188 13.602 4.010 1.00 33.55 H new ATOM 0 HB2 ASP A 39 7.988 11.427 2.634 1.00 24.25 H new ATOM 0 HB3 ASP A 39 6.923 11.617 4.013 1.00 24.25 H new ATOM 599 N THR A 40 9.310 14.790 2.096 1.00 42.33 N ATOM 600 CA THR A 40 10.142 15.273 1.000 1.00 51.22 C ATOM 601 C THR A 40 10.872 14.124 0.316 1.00 5.24 C ATOM 602 O THR A 40 11.241 14.217 -0.855 1.00 55.42 O ATOM 603 CB THR A 40 11.177 16.303 1.493 1.00 52.44 C ATOM 604 OG1 THR A 40 11.670 15.924 2.782 1.00 3.03 O ATOM 605 CG2 THR A 40 10.563 17.693 1.567 1.00 32.04 C ATOM 0 H THR A 40 9.530 15.198 3.004 1.00 42.33 H new ATOM 0 HA THR A 40 9.475 15.753 0.284 1.00 51.22 H new ATOM 0 HB THR A 40 12.003 16.325 0.782 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.328 16.583 3.087 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.312 18.403 1.917 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.216 17.990 0.578 1.00 32.04 H new ATOM 0 HG23 THR A 40 9.721 17.682 2.259 1.00 32.04 H new ATOM 613 N THR A 41 11.078 13.037 1.054 1.00 61.40 N ATOM 614 CA THR A 41 11.765 11.869 0.518 1.00 21.31 C ATOM 615 C THR A 41 10.827 11.024 -0.337 1.00 74.10 C ATOM 616 O THR A 41 11.268 10.134 -1.065 1.00 32.32 O ATOM 617 CB THR A 41 12.345 10.991 1.643 1.00 11.20 C ATOM 618 OG1 THR A 41 11.283 10.372 2.378 1.00 50.03 O ATOM 619 CG2 THR A 41 13.205 11.820 2.586 1.00 40.10 C ATOM 0 H THR A 41 10.779 12.942 2.024 1.00 61.40 H new ATOM 0 HA THR A 41 12.582 12.240 -0.100 1.00 21.31 H new ATOM 0 HB THR A 41 12.969 10.221 1.189 1.00 11.20 H new ATOM 0 HG1 THR A 41 11.660 9.814 3.090 1.00 50.03 H new ATOM 0 HG21 THR A 41 13.604 11.179 3.372 1.00 40.10 H new ATOM 0 HG22 THR A 41 14.029 12.267 2.029 1.00 40.10 H new ATOM 0 HG23 THR A 41 12.599 12.608 3.033 1.00 40.10 H new ATOM 627 N ALA A 42 9.532 11.308 -0.245 1.00 33.42 N ATOM 628 CA ALA A 42 8.532 10.576 -1.012 1.00 33.24 C ATOM 629 C ALA A 42 7.534 11.528 -1.662 1.00 22.22 C ATOM 630 O ALA A 42 6.394 11.154 -1.934 1.00 41.33 O ATOM 631 CB ALA A 42 7.809 9.578 -0.120 1.00 72.43 C ATOM 0 H ALA A 42 9.151 12.041 0.354 1.00 33.42 H new ATOM 0 HA ALA A 42 9.045 10.032 -1.805 1.00 33.24 H new ATOM 0 HB1 ALA A 42 7.065 9.038 -0.706 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.529 8.871 0.293 1.00 72.43 H new ATOM 0 HB3 ALA A 42 7.315 10.109 0.694 1.00 72.43 H new ATOM 637 N ALA A 43 7.970 12.759 -1.906 1.00 12.24 N ATOM 638 CA ALA A 43 7.114 13.764 -2.524 1.00 72.33 C ATOM 639 C ALA A 43 7.876 15.062 -2.766 1.00 51.10 C ATOM 640 O ALA A 43 8.990 15.242 -2.271 1.00 33.12 O ATOM 641 CB ALA A 43 5.891 14.023 -1.656 1.00 43.44 C ATOM 0 H ALA A 43 8.911 13.085 -1.685 1.00 12.24 H new ATOM 0 HA ALA A 43 6.786 13.380 -3.490 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.261 14.776 -2.130 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.326 13.098 -1.539 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.209 14.381 -0.677 1.00 43.44 H new ATOM 647 N PHE A 44 7.271 15.965 -3.530 1.00 14.41 N ATOM 648 CA PHE A 44 7.896 17.247 -3.838 1.00 61.30 C ATOM 649 C PHE A 44 6.856 18.364 -3.873 1.00 33.54 C ATOM 650 O PHE A 44 5.653 18.107 -3.938 1.00 25.14 O ATOM 651 CB PHE A 44 8.626 17.173 -5.181 1.00 4.30 C ATOM 652 CG PHE A 44 7.749 16.722 -6.315 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.573 15.373 -6.578 1.00 14.45 C ATOM 654 CD2 PHE A 44 7.103 17.647 -7.119 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.767 14.954 -7.620 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.295 17.235 -8.162 1.00 31.10 C ATOM 657 CZ PHE A 44 6.128 15.887 -8.414 1.00 44.43 C ATOM 0 H PHE A 44 6.350 15.834 -3.947 1.00 14.41 H new ATOM 0 HA PHE A 44 8.617 17.470 -3.052 1.00 61.30 H new ATOM 0 HB2 PHE A 44 9.036 18.155 -5.417 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.470 16.489 -5.090 1.00 4.30 H new ATOM 0 HD1 PHE A 44 8.072 14.640 -5.961 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.232 18.702 -6.929 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.637 13.899 -7.813 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.795 17.966 -8.779 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.499 15.563 -9.230 1.00 44.43 H new ATOM 667 N HIS A 45 7.328 19.605 -3.826 1.00 30.01 N ATOM 668 CA HIS A 45 6.442 20.763 -3.853 1.00 13.52 C ATOM 669 C HIS A 45 6.566 21.515 -5.174 1.00 32.25 C ATOM 670 O HIS A 45 7.473 21.254 -5.964 1.00 34.05 O ATOM 671 CB HIS A 45 6.757 21.699 -2.686 1.00 41.02 C ATOM 672 CG HIS A 45 8.015 22.490 -2.876 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.259 22.022 -2.510 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.216 23.722 -3.399 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.172 22.932 -2.797 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.565 23.974 -3.339 1.00 4.31 N ATOM 0 H HIS A 45 8.320 19.835 -3.769 1.00 30.01 H new ATOM 0 HA HIS A 45 5.417 20.406 -3.756 1.00 13.52 H new ATOM 0 HB2 HIS A 45 5.923 22.386 -2.547 1.00 41.02 H new ATOM 0 HB3 HIS A 45 6.842 21.111 -1.772 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.457 24.384 -3.790 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.233 22.841 -2.619 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.024 24.826 -3.660 1.00 4.31 H new ATOM 684 N GLY A 46 5.651 22.449 -5.407 1.00 15.53 N ATOM 685 CA GLY A 46 5.677 23.224 -6.633 1.00 51.15 C ATOM 686 C GLY A 46 4.478 24.143 -6.765 1.00 30.33 C ATOM 687 O GLY A 46 3.399 23.844 -6.256 1.00 1.11 O ATOM 0 H GLY A 46 4.891 22.683 -4.768 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.591 23.817 -6.664 1.00 51.15 H new ATOM 0 HA3 GLY A 46 5.707 22.547 -7.487 1.00 51.15 H new ATOM 691 N CYS A 47 4.667 25.266 -7.449 1.00 73.31 N ATOM 692 CA CYS A 47 3.594 26.233 -7.645 1.00 12.40 C ATOM 693 C CYS A 47 3.268 26.391 -9.128 1.00 61.22 C ATOM 694 O CYS A 47 4.126 26.759 -9.928 1.00 61.52 O ATOM 695 CB CYS A 47 3.985 27.588 -7.051 1.00 0.44 C ATOM 696 SG CYS A 47 2.731 28.889 -7.279 1.00 52.01 S ATOM 0 H CYS A 47 5.555 25.529 -7.877 1.00 73.31 H new ATOM 0 HA CYS A 47 2.706 25.862 -7.133 1.00 12.40 H new ATOM 0 HB2 CYS A 47 4.175 27.464 -5.985 1.00 0.44 H new ATOM 0 HB3 CYS A 47 4.920 27.916 -7.505 1.00 0.44 H new ATOM 701 N GLY A 48 2.018 26.107 -9.487 1.00 51.40 N ATOM 702 CA GLY A 48 1.599 26.223 -10.871 1.00 22.12 C ATOM 703 C GLY A 48 0.218 25.645 -11.108 1.00 74.05 C ATOM 704 O GLY A 48 -0.562 25.479 -10.172 1.00 74.34 O ATOM 0 H GLY A 48 1.289 25.799 -8.843 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.605 27.273 -11.163 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.319 25.711 -11.510 1.00 22.12 H new ATOM 708 N ARG A 49 -0.085 25.341 -12.366 1.00 34.44 N ATOM 709 CA ARG A 49 -1.382 24.781 -12.724 1.00 43.42 C ATOM 710 C ARG A 49 -1.233 23.358 -13.257 1.00 72.42 C ATOM 711 O ARG A 49 -0.752 23.148 -14.371 1.00 32.25 O ATOM 712 CB ARG A 49 -2.068 25.658 -13.774 1.00 63.11 C ATOM 713 CG ARG A 49 -2.230 27.107 -13.344 1.00 51.12 C ATOM 714 CD ARG A 49 -2.155 28.052 -14.533 1.00 22.53 C ATOM 715 NE ARG A 49 -0.859 27.990 -15.201 1.00 64.14 N ATOM 716 CZ ARG A 49 -0.391 28.952 -15.989 1.00 64.40 C ATOM 717 NH1 ARG A 49 -1.110 30.045 -16.204 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 0.799 28.822 -16.562 1.00 63.11 N ATOM 0 H ARG A 49 0.550 25.473 -13.153 1.00 34.44 H new ATOM 0 HA ARG A 49 -1.997 24.752 -11.824 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.490 25.624 -14.698 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -3.050 25.242 -13.997 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -3.187 27.233 -12.838 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.453 27.363 -12.624 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -2.942 27.802 -15.245 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -2.341 29.072 -14.197 1.00 22.53 H new ATOM 0 HE ARG A 49 -0.281 27.163 -15.055 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -2.024 30.149 -15.764 1.00 71.52 H new ATOM 0 HH12 ARG A 49 -0.749 30.782 -16.809 1.00 71.52 H new ATOM 0 HH21 ARG A 49 1.355 27.983 -16.398 1.00 63.11 H new ATOM 0 HH22 ARG A 49 1.157 29.561 -17.167 1.00 63.11 H new ATOM 732 N ILE A 50 -1.645 22.385 -12.451 1.00 45.20 N ATOM 733 CA ILE A 50 -1.558 20.983 -12.841 1.00 24.22 C ATOM 734 C ILE A 50 -2.898 20.471 -13.359 1.00 32.02 C ATOM 735 O ILE A 50 -2.948 19.570 -14.195 1.00 4.22 O ATOM 736 CB ILE A 50 -1.104 20.099 -11.664 1.00 43.24 C ATOM 737 CG1 ILE A 50 -2.006 20.327 -10.449 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.348 20.388 -11.313 1.00 11.30 C ATOM 739 CD1 ILE A 50 -1.751 19.356 -9.317 1.00 33.13 C ATOM 0 H ILE A 50 -2.042 22.542 -11.525 1.00 45.20 H new ATOM 0 HA ILE A 50 -0.817 20.923 -13.638 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.184 19.054 -11.962 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.861 21.344 -10.084 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -3.048 20.245 -10.759 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.654 19.755 -10.480 1.00 11.30 H new ATOM 0 HG22 ILE A 50 0.979 20.180 -12.177 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.453 21.436 -11.031 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.426 19.576 -8.490 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -1.924 18.338 -9.665 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -0.719 19.453 -8.980 1.00 33.13 H new ATOM 751 N TRP A 51 -3.981 21.054 -12.856 1.00 65.10 N ATOM 752 CA TRP A 51 -5.322 20.659 -13.270 1.00 64.31 C ATOM 753 C TRP A 51 -5.830 21.549 -14.398 1.00 21.13 C ATOM 754 O TRP A 51 -5.395 22.689 -14.564 1.00 63.40 O ATOM 755 CB TRP A 51 -6.284 20.721 -12.083 1.00 25.32 C ATOM 756 CG TRP A 51 -6.002 19.688 -11.034 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.478 19.902 -9.790 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.226 18.277 -11.139 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.364 18.710 -9.117 1.00 72.11 N ATOM 760 CE2 TRP A 51 -5.816 17.698 -9.922 1.00 35.13 C ATOM 761 CE3 TRP A 51 -6.735 17.447 -12.142 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -5.900 16.329 -9.684 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -6.817 16.088 -11.905 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.401 15.540 -10.683 1.00 32.35 C ATOM 0 H TRP A 51 -3.956 21.801 -12.162 1.00 65.10 H new ATOM 0 HA TRP A 51 -5.273 19.634 -13.636 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.229 21.711 -11.631 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.304 20.592 -12.444 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -5.195 20.866 -9.394 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -5.001 18.597 -8.170 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -7.059 17.861 -13.086 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.581 15.905 -8.744 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -7.208 15.437 -12.673 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -6.478 14.474 -10.527 1.00 32.35 H new ATOM 775 N PRO A 52 -6.772 21.020 -15.193 1.00 33.22 N ATOM 776 CA PRO A 52 -7.359 21.753 -16.320 1.00 11.42 C ATOM 777 C PRO A 52 -8.251 22.902 -15.863 1.00 61.34 C ATOM 778 O PRO A 52 -8.327 23.942 -16.518 1.00 42.35 O ATOM 779 CB PRO A 52 -8.188 20.688 -17.042 1.00 73.34 C ATOM 780 CG PRO A 52 -8.514 19.683 -15.990 1.00 72.40 C ATOM 781 CD PRO A 52 -7.337 19.668 -15.054 1.00 33.43 C ATOM 0 HA PRO A 52 -6.597 22.217 -16.946 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -9.092 21.116 -17.474 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -7.627 20.237 -17.860 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -9.429 19.953 -15.462 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -8.677 18.698 -16.428 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -7.643 19.464 -14.028 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -6.614 18.900 -15.330 1.00 33.43 H new ATOM 789 N LYS A 53 -8.924 22.710 -14.734 1.00 42.35 N ATOM 790 CA LYS A 53 -9.810 23.730 -14.186 1.00 54.32 C ATOM 791 C LYS A 53 -9.044 25.017 -13.901 1.00 33.53 C ATOM 792 O LYS A 53 -9.469 26.105 -14.293 1.00 74.30 O ATOM 793 CB LYS A 53 -10.474 23.224 -12.904 1.00 22.44 C ATOM 794 CG LYS A 53 -11.739 22.420 -13.151 1.00 55.12 C ATOM 795 CD LYS A 53 -12.688 22.495 -11.967 1.00 65.22 C ATOM 796 CE LYS A 53 -13.291 23.884 -11.822 1.00 22.10 C ATOM 797 NZ LYS A 53 -14.654 23.838 -11.225 1.00 32.33 N1+ ATOM 0 H LYS A 53 -8.873 21.855 -14.179 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.581 23.942 -14.926 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -9.762 22.607 -12.355 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -10.713 24.076 -12.268 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -12.240 22.794 -14.044 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -11.478 21.379 -13.344 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -13.485 21.762 -12.092 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -12.154 22.232 -11.054 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -12.642 24.498 -11.198 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -13.339 24.363 -12.800 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -15.030 24.804 -11.143 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -15.281 23.273 -11.833 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -14.605 23.404 -10.281 1.00 32.33 H new ATOM 811 N ASP A 54 -7.913 24.889 -13.216 1.00 52.15 N ATOM 812 CA ASP A 54 -7.087 26.042 -12.879 1.00 1.22 C ATOM 813 C ASP A 54 -6.505 26.679 -14.137 1.00 22.44 C ATOM 814 O ASP A 54 -6.325 27.895 -14.204 1.00 3.21 O ATOM 815 CB ASP A 54 -5.959 25.630 -11.932 1.00 23.13 C ATOM 816 CG ASP A 54 -6.478 25.051 -10.631 1.00 24.34 C ATOM 817 OD1 ASP A 54 -7.581 25.450 -10.202 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -5.782 24.199 -10.041 1.00 52.31 O ATOM 0 H ASP A 54 -7.547 23.997 -12.883 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.719 26.777 -12.380 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.324 24.894 -12.426 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -5.334 26.497 -11.717 1.00 23.13 H new ATOM 823 N LYS A 55 -6.210 25.848 -15.132 1.00 0.11 N ATOM 824 CA LYS A 55 -5.647 26.329 -16.388 1.00 71.30 C ATOM 825 C LYS A 55 -6.614 27.281 -17.088 1.00 30.04 C ATOM 826 O LYS A 55 -6.194 28.242 -17.733 1.00 33.44 O ATOM 827 CB LYS A 55 -5.321 25.150 -17.308 1.00 4.34 C ATOM 828 CG LYS A 55 -5.001 25.562 -18.734 1.00 61.13 C ATOM 829 CD LYS A 55 -4.788 24.352 -19.630 1.00 32.24 C ATOM 830 CE LYS A 55 -3.515 24.484 -20.451 1.00 73.20 C ATOM 831 NZ LYS A 55 -3.605 23.738 -21.737 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.352 24.839 -15.092 1.00 0.11 H new ATOM 0 HA LYS A 55 -4.729 26.872 -16.163 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -4.472 24.604 -16.897 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -6.167 24.463 -17.318 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -5.815 26.170 -19.129 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -4.106 26.184 -18.742 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -4.737 23.450 -19.020 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -5.642 24.237 -20.297 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -3.322 25.537 -20.655 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -2.670 24.111 -19.873 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -2.718 23.853 -22.268 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -3.764 22.729 -21.543 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -4.396 24.111 -22.300 1.00 23.02 H new ATOM 845 N ARG A 56 -7.907 27.007 -16.955 1.00 42.23 N ATOM 846 CA ARG A 56 -8.932 27.839 -17.576 1.00 60.15 C ATOM 847 C ARG A 56 -8.847 29.275 -17.066 1.00 33.12 C ATOM 848 O ARG A 56 -9.181 30.217 -17.783 1.00 23.12 O ATOM 849 CB ARG A 56 -10.323 27.268 -17.294 1.00 63.23 C ATOM 850 CG ARG A 56 -10.431 25.774 -17.554 1.00 4.43 C ATOM 851 CD ARG A 56 -11.817 25.396 -18.055 1.00 71.40 C ATOM 852 NE ARG A 56 -12.119 26.014 -19.344 1.00 11.52 N ATOM 853 CZ ARG A 56 -11.546 25.653 -20.486 1.00 41.21 C ATOM 854 NH1 ARG A 56 -10.644 24.681 -20.499 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -11.875 26.263 -21.617 1.00 63.40 N ATOM 0 H ARG A 56 -8.270 26.216 -16.423 1.00 42.23 H new ATOM 0 HA ARG A 56 -8.760 27.842 -18.652 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -10.585 27.467 -16.255 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -11.053 27.790 -17.913 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -9.683 25.476 -18.289 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -10.212 25.227 -16.637 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -11.886 24.312 -18.147 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -12.564 25.702 -17.322 1.00 71.40 H new ATOM 0 HE ARG A 56 -12.809 26.765 -19.368 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -10.390 24.210 -19.631 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -10.205 24.405 -21.377 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -12.569 27.010 -21.610 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -11.434 25.985 -22.494 1.00 63.40 H new ATOM 869 N GLU A 57 -8.398 29.431 -15.824 1.00 1.14 N ATOM 870 CA GLU A 57 -8.272 30.752 -15.220 1.00 73.50 C ATOM 871 C GLU A 57 -6.846 31.279 -15.359 1.00 75.12 C ATOM 872 O GLU A 57 -6.591 32.469 -15.171 1.00 65.11 O ATOM 873 CB GLU A 57 -8.666 30.700 -13.742 1.00 24.12 C ATOM 874 CG GLU A 57 -10.168 30.687 -13.514 1.00 62.23 C ATOM 875 CD GLU A 57 -10.558 31.238 -12.157 1.00 4.11 C ATOM 876 OE1 GLU A 57 -9.906 30.867 -11.157 1.00 34.10 O1- ATOM 877 OE2 GLU A 57 -11.514 32.037 -12.091 1.00 2.34 O ATOM 0 H GLU A 57 -8.116 28.660 -15.218 1.00 1.14 H new ATOM 0 HA GLU A 57 -8.945 31.430 -15.745 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -8.230 29.809 -13.289 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -8.236 31.561 -13.229 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.655 31.273 -14.293 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -10.537 29.665 -13.606 1.00 62.23 H new ATOM 884 N LYS A 58 -5.920 30.384 -15.687 1.00 50.53 N ATOM 885 CA LYS A 58 -4.520 30.757 -15.851 1.00 42.02 C ATOM 886 C LYS A 58 -3.967 31.373 -14.570 1.00 73.23 C ATOM 887 O LYS A 58 -3.460 32.494 -14.577 1.00 73.04 O ATOM 888 CB LYS A 58 -4.365 31.743 -17.011 1.00 61.50 C ATOM 889 CG LYS A 58 -4.699 31.144 -18.367 1.00 44.31 C ATOM 890 CD LYS A 58 -3.462 30.581 -19.048 1.00 22.35 C ATOM 891 CE LYS A 58 -3.261 29.112 -18.711 1.00 42.41 C ATOM 892 NZ LYS A 58 -2.233 28.479 -19.585 1.00 3.31 N1+ ATOM 0 H LYS A 58 -6.114 29.395 -15.844 1.00 50.53 H new ATOM 0 HA LYS A 58 -3.954 29.853 -16.073 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -5.010 32.603 -16.834 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -3.340 32.112 -17.029 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -5.439 30.354 -18.244 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -5.150 31.907 -19.002 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -3.554 30.698 -20.128 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -2.585 31.150 -18.739 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -2.960 29.016 -17.668 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -4.207 28.581 -18.820 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -2.125 27.478 -19.324 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -2.532 28.548 -20.579 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -1.324 28.969 -19.463 1.00 3.31 H new ATOM 906 N VAL A 59 -4.066 30.632 -13.471 1.00 2.35 N ATOM 907 CA VAL A 59 -3.573 31.103 -12.183 1.00 3.13 C ATOM 908 C VAL A 59 -2.750 30.029 -11.482 1.00 32.04 C ATOM 909 O VAL A 59 -3.241 28.933 -11.214 1.00 24.43 O ATOM 910 CB VAL A 59 -4.731 31.531 -11.262 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.734 30.399 -11.104 1.00 75.04 C ATOM 912 CG2 VAL A 59 -4.198 31.975 -9.908 1.00 61.33 C ATOM 0 H VAL A 59 -4.484 29.702 -13.447 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.939 31.967 -12.384 1.00 3.13 H new ATOM 0 HB VAL A 59 -5.243 32.377 -11.720 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -6.545 30.720 -10.450 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -6.139 30.133 -12.080 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -5.238 29.532 -10.668 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -5.030 32.274 -9.270 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -3.660 31.150 -9.440 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -3.522 32.819 -10.042 1.00 61.33 H new ATOM 922 N ASP A 60 -1.496 30.351 -11.187 1.00 14.15 N ATOM 923 CA ASP A 60 -0.604 29.414 -10.515 1.00 22.51 C ATOM 924 C ASP A 60 -1.122 29.073 -9.122 1.00 13.20 C ATOM 925 O ASP A 60 -1.383 29.961 -8.311 1.00 44.21 O ATOM 926 CB ASP A 60 0.806 30.000 -10.418 1.00 60.44 C ATOM 927 CG ASP A 60 1.590 29.838 -11.705 1.00 44.41 C ATOM 928 OD1 ASP A 60 0.982 29.453 -12.725 1.00 45.21 O ATOM 929 OD2 ASP A 60 2.813 30.095 -11.692 1.00 43.53 O1- ATOM 0 H ASP A 60 -1.074 31.254 -11.403 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.570 28.498 -11.104 1.00 22.51 H new ATOM 0 HB2 ASP A 60 0.740 31.059 -10.167 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.344 29.513 -9.605 1.00 60.44 H new ATOM 934 N ARG A 61 -1.272 27.780 -8.851 1.00 3.03 N ATOM 935 CA ARG A 61 -1.763 27.322 -7.557 1.00 14.00 C ATOM 936 C ARG A 61 -0.790 26.331 -6.927 1.00 1.23 C ATOM 937 O ARG A 61 -0.065 25.623 -7.627 1.00 63.34 O ATOM 938 CB ARG A 61 -3.139 26.672 -7.712 1.00 5.22 C ATOM 939 CG ARG A 61 -4.168 27.573 -8.376 1.00 53.15 C ATOM 940 CD ARG A 61 -5.040 28.276 -7.347 1.00 54.13 C ATOM 941 NE ARG A 61 -6.241 27.509 -7.031 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.308 27.457 -7.821 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.322 28.122 -8.967 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.364 26.736 -7.464 1.00 12.20 N ATOM 0 H ARG A 61 -1.060 27.031 -9.511 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.849 28.188 -6.901 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -3.036 25.759 -8.298 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.506 26.379 -6.728 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.660 28.315 -8.992 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -4.795 26.981 -9.043 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.465 28.440 -6.436 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -5.326 29.258 -7.724 1.00 54.13 H new ATOM 0 HE ARG A 61 -6.262 26.985 -6.156 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -6.512 28.676 -9.245 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -8.143 28.080 -9.571 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -8.356 26.222 -6.583 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -9.183 26.696 -8.071 1.00 12.20 H new ATOM 958 N CYS A 62 -0.775 26.288 -5.599 1.00 42.04 N ATOM 959 CA CYS A 62 0.109 25.386 -4.871 1.00 0.35 C ATOM 960 C CYS A 62 -0.342 23.937 -5.028 1.00 41.03 C ATOM 961 O CYS A 62 -1.508 23.612 -4.802 1.00 41.35 O ATOM 962 CB CYS A 62 0.150 25.762 -3.389 1.00 62.15 C ATOM 963 SG CYS A 62 0.986 24.536 -2.333 1.00 73.51 S ATOM 0 H CYS A 62 -1.366 26.869 -5.004 1.00 42.04 H new ATOM 0 HA CYS A 62 1.110 25.483 -5.290 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.655 26.722 -3.283 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.871 25.898 -3.031 1.00 62.15 H new ATOM 968 N TYR A 63 0.588 23.072 -5.415 1.00 45.52 N ATOM 969 CA TYR A 63 0.285 21.658 -5.604 1.00 14.20 C ATOM 970 C TYR A 63 1.350 20.781 -4.952 1.00 21.05 C ATOM 971 O TYR A 63 2.481 21.217 -4.735 1.00 3.33 O ATOM 972 CB TYR A 63 0.183 21.331 -7.094 1.00 45.41 C ATOM 973 CG TYR A 63 1.518 21.311 -7.803 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.276 20.149 -7.868 1.00 1.01 C ATOM 975 CD2 TYR A 63 2.024 22.456 -8.407 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.497 20.126 -8.514 1.00 53.34 C ATOM 977 CE2 TYR A 63 3.242 22.443 -9.056 1.00 13.22 C ATOM 978 CZ TYR A 63 3.976 21.276 -9.108 1.00 70.24 C ATOM 979 OH TYR A 63 5.190 21.258 -9.753 1.00 43.32 O ATOM 0 H TYR A 63 1.558 23.325 -5.604 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.673 21.451 -5.127 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.296 20.359 -7.212 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.463 22.065 -7.575 1.00 45.41 H new ATOM 0 HD1 TYR A 63 1.904 19.247 -7.405 1.00 1.01 H new ATOM 0 HD2 TYR A 63 1.454 23.372 -8.368 1.00 72.13 H new ATOM 0 HE1 TYR A 63 4.073 19.213 -8.554 1.00 53.34 H new ATOM 0 HE2 TYR A 63 3.619 23.342 -9.521 1.00 13.22 H new ATOM 0 HH TYR A 63 5.380 22.148 -10.117 1.00 43.32 H new ATOM 989 N ILE A 64 0.981 19.543 -4.643 1.00 55.33 N ATOM 990 CA ILE A 64 1.903 18.604 -4.018 1.00 5.43 C ATOM 991 C ILE A 64 1.656 17.181 -4.507 1.00 12.54 C ATOM 992 O ILE A 64 0.580 16.619 -4.298 1.00 4.15 O ATOM 993 CB ILE A 64 1.783 18.634 -2.482 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.124 20.028 -1.950 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.692 17.585 -1.859 1.00 44.01 C ATOM 996 CD1 ILE A 64 2.005 20.145 -0.446 1.00 11.12 C ATOM 0 H ILE A 64 0.049 19.167 -4.816 1.00 55.33 H new ATOM 0 HA ILE A 64 2.908 18.914 -4.303 1.00 5.43 H new ATOM 0 HB ILE A 64 0.754 18.403 -2.207 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.141 20.283 -2.247 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.463 20.758 -2.417 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.596 17.619 -0.774 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.406 16.596 -2.218 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.726 17.787 -2.138 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.261 21.159 -0.139 1.00 11.12 H new ATOM 0 HD12 ILE A 64 0.982 19.922 -0.143 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.686 19.439 0.029 1.00 11.12 H new ATOM 1008 N CYS A 65 2.659 16.602 -5.158 1.00 21.21 N ATOM 1009 CA CYS A 65 2.552 15.244 -5.678 1.00 73.21 C ATOM 1010 C CYS A 65 3.638 14.349 -5.088 1.00 10.41 C ATOM 1011 O CYS A 65 4.697 14.826 -4.684 1.00 53.41 O ATOM 1012 CB CYS A 65 2.655 15.250 -7.204 1.00 24.12 C ATOM 1013 SG CYS A 65 1.366 16.234 -8.033 1.00 3.43 S ATOM 0 H CYS A 65 3.556 17.053 -5.338 1.00 21.21 H new ATOM 0 HA CYS A 65 1.580 14.846 -5.388 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.633 15.638 -7.490 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.601 14.223 -7.565 1.00 24.12 H new ATOM 1018 N ASN A 66 3.364 13.049 -5.040 1.00 44.32 N ATOM 1019 CA ASN A 66 4.317 12.088 -4.500 1.00 53.41 C ATOM 1020 C ASN A 66 5.523 11.936 -5.423 1.00 40.54 C ATOM 1021 O ASN A 66 5.476 12.325 -6.589 1.00 42.44 O ATOM 1022 CB ASN A 66 3.644 10.729 -4.296 1.00 4.34 C ATOM 1023 CG ASN A 66 3.114 10.146 -5.592 1.00 53.40 C ATOM 1024 OD1 ASN A 66 3.082 10.822 -6.622 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.695 8.887 -5.549 1.00 12.22 N ATOM 0 H ASN A 66 2.490 12.638 -5.368 1.00 44.32 H new ATOM 0 HA ASN A 66 4.664 12.463 -3.537 1.00 53.41 H new ATOM 0 HB2 ASN A 66 4.359 10.035 -3.854 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.824 10.836 -3.586 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.328 8.442 -6.391 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.740 8.364 -4.674 1.00 12.22 H new ATOM 1032 N ASN A 67 6.601 11.368 -4.890 1.00 11.55 N ATOM 1033 CA ASN A 67 7.818 11.167 -5.668 1.00 15.23 C ATOM 1034 C ASN A 67 7.546 10.298 -6.892 1.00 64.24 C ATOM 1035 O ASN A 67 8.255 10.381 -7.893 1.00 61.44 O ATOM 1036 CB ASN A 67 8.900 10.520 -4.799 1.00 20.14 C ATOM 1037 CG ASN A 67 9.835 11.540 -4.184 1.00 74.45 C ATOM 1038 OD1 ASN A 67 9.540 12.735 -4.161 1.00 73.43 O ATOM 1039 ND2 ASN A 67 10.973 11.073 -3.680 1.00 24.13 N ATOM 0 H ASN A 67 6.656 11.040 -3.926 1.00 11.55 H new ATOM 0 HA ASN A 67 8.167 12.142 -6.009 1.00 15.23 H new ATOM 0 HB2 ASN A 67 8.427 9.941 -4.006 1.00 20.14 H new ATOM 0 HB3 ASN A 67 9.477 9.820 -5.404 1.00 20.14 H new ATOM 0 HD21 ASN A 67 11.642 11.713 -3.253 1.00 24.13 H new ATOM 0 HD22 ASN A 67 11.177 10.074 -3.721 1.00 24.13 H new ATOM 1046 N GLU A 68 6.511 9.468 -6.802 1.00 2.34 N ATOM 1047 CA GLU A 68 6.145 8.585 -7.903 1.00 64.21 C ATOM 1048 C GLU A 68 5.343 9.337 -8.961 1.00 23.15 C ATOM 1049 O GLU A 68 5.095 8.822 -10.051 1.00 62.10 O ATOM 1050 CB GLU A 68 5.334 7.395 -7.384 1.00 13.03 C ATOM 1051 CG GLU A 68 6.065 6.574 -6.334 1.00 32.42 C ATOM 1052 CD GLU A 68 6.791 5.382 -6.927 1.00 43.55 C ATOM 1053 OE1 GLU A 68 6.123 4.535 -7.559 1.00 12.11 O ATOM 1054 OE2 GLU A 68 8.025 5.296 -6.760 1.00 63.23 O1- ATOM 0 H GLU A 68 5.913 9.389 -5.980 1.00 2.34 H new ATOM 0 HA GLU A 68 7.064 8.218 -8.361 1.00 64.21 H new ATOM 0 HB2 GLU A 68 4.398 7.760 -6.961 1.00 13.03 H new ATOM 0 HB3 GLU A 68 5.074 6.749 -8.223 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.782 7.210 -5.815 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.350 6.225 -5.588 1.00 32.42 H new ATOM 1061 N LYS A 69 4.940 10.560 -8.631 1.00 71.44 N ATOM 1062 CA LYS A 69 4.167 11.385 -9.550 1.00 40.30 C ATOM 1063 C LYS A 69 2.915 10.651 -10.021 1.00 12.13 C ATOM 1064 O LYS A 69 2.393 10.921 -11.104 1.00 32.33 O ATOM 1065 CB LYS A 69 5.023 11.781 -10.756 1.00 41.01 C ATOM 1066 CG LYS A 69 6.044 12.862 -10.448 1.00 21.00 C ATOM 1067 CD LYS A 69 6.781 13.306 -11.700 1.00 71.15 C ATOM 1068 CE LYS A 69 8.124 13.938 -11.362 1.00 4.11 C ATOM 1069 NZ LYS A 69 9.140 12.916 -10.988 1.00 61.00 N1+ ATOM 0 H LYS A 69 5.137 11.001 -7.733 1.00 71.44 H new ATOM 0 HA LYS A 69 3.860 12.286 -9.018 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.542 10.898 -11.128 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.370 12.128 -11.557 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.543 13.718 -9.996 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.760 12.489 -9.716 1.00 21.00 H new ATOM 0 HD2 LYS A 69 6.936 12.449 -12.356 1.00 71.15 H new ATOM 0 HD3 LYS A 69 6.169 14.021 -12.249 1.00 71.15 H new ATOM 0 HE2 LYS A 69 8.482 14.509 -12.218 1.00 4.11 H new ATOM 0 HE3 LYS A 69 7.997 14.642 -10.539 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 10.077 13.363 -10.930 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 8.895 12.505 -10.065 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 9.158 12.165 -11.707 1.00 61.00 H new ATOM 1083 N THR A 70 2.439 9.719 -9.202 1.00 30.31 N ATOM 1084 CA THR A 70 1.249 8.946 -9.534 1.00 22.31 C ATOM 1085 C THR A 70 -0.002 9.575 -8.935 1.00 43.33 C ATOM 1086 O THR A 70 -1.060 9.602 -9.567 1.00 43.31 O ATOM 1087 CB THR A 70 1.367 7.491 -9.037 1.00 53.45 C ATOM 1088 OG1 THR A 70 1.453 7.469 -7.608 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.589 6.812 -9.635 1.00 43.40 C ATOM 0 H THR A 70 2.859 9.481 -8.304 1.00 30.31 H new ATOM 0 HA THR A 70 1.166 8.946 -10.621 1.00 22.31 H new ATOM 0 HB THR A 70 0.478 6.947 -9.356 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.526 6.542 -7.299 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.651 5.787 -9.270 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.506 6.806 -10.722 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.487 7.356 -9.343 1.00 43.40 H new ATOM 1097 N LEU A 71 0.124 10.084 -7.715 1.00 55.15 N ATOM 1098 CA LEU A 71 -0.998 10.715 -7.029 1.00 63.21 C ATOM 1099 C LEU A 71 -0.718 12.193 -6.775 1.00 74.32 C ATOM 1100 O LEU A 71 0.427 12.590 -6.551 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.280 10.003 -5.705 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.699 10.151 -5.152 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.589 9.027 -5.660 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -2.677 10.171 -3.631 1.00 23.13 C ATOM 0 H LEU A 71 0.992 10.072 -7.180 1.00 55.15 H new ATOM 0 HA LEU A 71 -1.875 10.634 -7.671 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.071 8.941 -5.835 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.580 10.377 -4.958 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.110 11.098 -5.502 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.594 9.148 -5.257 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -3.629 9.058 -6.749 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -3.183 8.068 -5.339 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -3.694 10.277 -3.254 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.248 9.240 -3.261 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -2.073 11.011 -3.287 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.770 13.004 -6.807 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.639 14.438 -6.578 1.00 32.24 C ATOM 1118 C CYS A 72 -2.868 14.989 -5.862 1.00 44.23 C ATOM 1119 O CYS A 72 -3.919 14.350 -5.825 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.438 15.171 -7.905 1.00 15.44 C ATOM 1121 SG CYS A 72 0.103 14.730 -8.773 1.00 43.01 S ATOM 0 H CYS A 72 -2.724 12.692 -6.990 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.767 14.601 -5.944 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.284 14.957 -8.558 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.443 16.245 -7.719 1.00 15.44 H new ATOM 1126 N THR A 73 -2.729 16.183 -5.293 1.00 61.13 N ATOM 1127 CA THR A 73 -3.827 16.821 -4.577 1.00 22.22 C ATOM 1128 C THR A 73 -5.093 16.851 -5.425 1.00 44.15 C ATOM 1129 O THR A 73 -5.054 16.581 -6.625 1.00 61.12 O ATOM 1130 CB THR A 73 -3.466 18.260 -4.163 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.288 18.689 -4.856 1.00 31.14 O ATOM 1132 CG2 THR A 73 -3.238 18.349 -2.661 1.00 55.11 C ATOM 0 H THR A 73 -1.867 16.727 -5.314 1.00 61.13 H new ATOM 0 HA THR A 73 -4.007 16.227 -3.681 1.00 22.22 H new ATOM 0 HB THR A 73 -4.299 18.911 -4.428 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.526 18.967 -5.765 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.984 19.374 -2.392 1.00 55.11 H new ATOM 0 HG22 THR A 73 -4.146 18.050 -2.137 1.00 55.11 H new ATOM 0 HG23 THR A 73 -2.420 17.686 -2.377 1.00 55.11 H new ATOM 1140 N SER A 74 -6.215 17.181 -4.793 1.00 30.10 N ATOM 1141 CA SER A 74 -7.494 17.243 -5.490 1.00 62.43 C ATOM 1142 C SER A 74 -7.528 18.419 -6.463 1.00 35.40 C ATOM 1143 O SER A 74 -6.554 19.162 -6.589 1.00 60.23 O ATOM 1144 CB SER A 74 -8.641 17.367 -4.485 1.00 23.42 C ATOM 1145 OG SER A 74 -9.896 17.191 -5.120 1.00 21.12 O ATOM 0 H SER A 74 -6.264 17.409 -3.800 1.00 30.10 H new ATOM 0 HA SER A 74 -7.614 16.320 -6.058 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.521 16.623 -3.697 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.606 18.346 -4.007 1.00 23.42 H new ATOM 0 HG SER A 74 -10.613 17.273 -4.457 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.654 18.581 -7.147 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.817 19.665 -8.108 1.00 11.13 C ATOM 1153 C VAL A 75 -9.555 20.845 -7.486 1.00 25.41 C ATOM 1154 O VAL A 75 -9.419 21.982 -7.935 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.581 19.198 -9.361 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -11.004 18.801 -8.999 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.575 20.284 -10.424 1.00 0.01 C ATOM 0 H VAL A 75 -9.469 17.975 -7.054 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.815 19.980 -8.401 1.00 11.13 H new ATOM 0 HB VAL A 75 -9.077 18.322 -9.769 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.530 18.474 -9.896 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.981 17.987 -8.274 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.522 19.657 -8.567 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -10.119 19.937 -11.302 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -10.055 21.180 -10.031 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.547 20.515 -10.702 1.00 0.01 H new ATOM 1167 N MET A 76 -10.337 20.565 -6.448 1.00 43.31 N ATOM 1168 CA MET A 76 -11.097 21.604 -5.763 1.00 43.13 C ATOM 1169 C MET A 76 -10.231 22.319 -4.730 1.00 51.03 C ATOM 1170 O MET A 76 -10.514 23.455 -4.346 1.00 70.34 O ATOM 1171 CB MET A 76 -12.329 21.002 -5.084 1.00 71.42 C ATOM 1172 CG MET A 76 -13.365 20.475 -6.062 1.00 32.35 C ATOM 1173 SD MET A 76 -14.839 19.840 -5.239 1.00 71.52 S ATOM 1174 CE MET A 76 -15.747 21.357 -4.952 1.00 75.53 C ATOM 0 H MET A 76 -10.461 19.628 -6.063 1.00 43.31 H new ATOM 0 HA MET A 76 -11.421 22.332 -6.507 1.00 43.13 H new ATOM 0 HB2 MET A 76 -12.013 20.190 -4.430 1.00 71.42 H new ATOM 0 HB3 MET A 76 -12.791 21.759 -4.451 1.00 71.42 H new ATOM 0 HG2 MET A 76 -13.652 21.273 -6.747 1.00 32.35 H new ATOM 0 HG3 MET A 76 -12.920 19.683 -6.664 1.00 32.35 H new ATOM 0 HE1 MET A 76 -16.686 21.129 -4.448 1.00 75.53 H new ATOM 0 HE2 MET A 76 -15.153 22.024 -4.328 1.00 75.53 H new ATOM 0 HE3 MET A 76 -15.955 21.842 -5.906 1.00 75.53 H new TER 1184 MET A 76