USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 507 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 82 THR OG1 : rot -133:sc= 0.0638 USER MOD Set 1.2: A 85 SER OG : rot 156:sc= 0.859 USER MOD Set 2.1: A 43 THR OG1 : rot 170:sc= -1.06 USER MOD Set 2.2: A 71 ASN : amide:sc= -4.27! C(o=-5.3!,f=-7.1!) USER MOD Set 3.1: A 35 CYS SG : rot -170:sc= -17.7! USER MOD Set 3.2: A 59 CYS SG : rot 160:sc= -27.3! USER MOD Set 4.1: A 40 CYS SG : rot 158:sc= -28.6! USER MOD Set 4.2: A 61 CYS SG : rot 162:sc= -19.6! USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.4) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -114:sc= -0.66 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.35) USER MOD Single : A 37 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.69) USER MOD Single : A 39 THR OG1 : rot 111:sc= 1.25 USER MOD Single : A 46 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.36) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.964 K(o=-0.96,f=-2.4) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0526) USER MOD Single : A 68 SER OG : rot -41:sc= 0.446 USER MOD Single : A 69 LYS NZ :NH3+ 165:sc=0.000948 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 150:sc=-0.00451 (180deg=-0.494) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -2.064 8.845 -17.390 1.00 24.13 N ATOM 2 CA GLY A 19 -1.402 7.815 -18.168 1.00 65.42 C ATOM 3 C GLY A 19 -0.450 6.980 -17.335 1.00 24.14 C ATOM 4 O GLY A 19 -0.733 5.831 -16.994 1.00 2.21 O ATOM 0 HA2 GLY A 19 -2.153 7.165 -18.617 1.00 65.42 H new ATOM 0 HA3 GLY A 19 -0.852 8.280 -18.986 1.00 65.42 H new ATOM 8 N PRO A 20 0.710 7.561 -16.994 1.00 64.03 N ATOM 9 CA PRO A 20 1.731 6.880 -16.192 1.00 44.34 C ATOM 10 C PRO A 20 1.294 6.681 -14.745 1.00 61.33 C ATOM 11 O PRO A 20 1.643 5.684 -14.114 1.00 33.32 O ATOM 12 CB PRO A 20 2.929 7.831 -16.263 1.00 24.43 C ATOM 13 CG PRO A 20 2.335 9.172 -16.522 1.00 35.45 C ATOM 14 CD PRO A 20 1.114 8.927 -17.366 1.00 4.52 C ATOM 0 HA PRO A 20 1.942 5.878 -16.565 1.00 44.34 H new ATOM 0 HB2 PRO A 20 3.496 7.823 -15.332 1.00 24.43 H new ATOM 0 HB3 PRO A 20 3.617 7.543 -17.058 1.00 24.43 H new ATOM 0 HG2 PRO A 20 2.071 9.669 -15.589 1.00 35.45 H new ATOM 0 HG3 PRO A 20 3.043 9.820 -17.039 1.00 35.45 H new ATOM 0 HD2 PRO A 20 0.327 9.651 -17.154 1.00 4.52 H new ATOM 0 HD3 PRO A 20 1.339 9.004 -18.430 1.00 4.52 H new ATOM 22 N MET A 21 0.528 7.635 -14.226 1.00 44.14 N ATOM 23 CA MET A 21 0.042 7.562 -12.853 1.00 42.14 C ATOM 24 C MET A 21 -1.371 6.991 -12.807 1.00 34.11 C ATOM 25 O MET A 21 -1.989 6.926 -11.745 1.00 22.44 O ATOM 26 CB MET A 21 0.066 8.948 -12.207 1.00 2.50 C ATOM 27 CG MET A 21 -0.894 9.936 -12.850 1.00 35.51 C ATOM 28 SD MET A 21 -1.103 11.437 -11.874 1.00 53.54 S ATOM 29 CE MET A 21 -0.715 12.690 -13.094 1.00 44.20 C ATOM 0 H MET A 21 0.231 8.467 -14.735 1.00 44.14 H new ATOM 0 HA MET A 21 0.702 6.898 -12.295 1.00 42.14 H new ATOM 0 HB2 MET A 21 -0.180 8.851 -11.150 1.00 2.50 H new ATOM 0 HB3 MET A 21 1.078 9.349 -12.263 1.00 2.50 H new ATOM 0 HG2 MET A 21 -0.527 10.200 -13.842 1.00 35.51 H new ATOM 0 HG3 MET A 21 -1.864 9.458 -12.986 1.00 35.51 H new ATOM 0 HE1 MET A 21 -0.800 13.678 -12.641 1.00 44.20 H new ATOM 0 HE2 MET A 21 0.303 12.543 -13.455 1.00 44.20 H new ATOM 0 HE3 MET A 21 -1.411 12.613 -13.929 1.00 44.20 H new ATOM 39 N GLU A 22 -1.877 6.579 -13.965 1.00 51.34 N ATOM 40 CA GLU A 22 -3.219 6.015 -14.055 1.00 43.01 C ATOM 41 C GLU A 22 -3.290 4.666 -13.345 1.00 12.33 C ATOM 42 O GLU A 22 -2.271 4.011 -13.133 1.00 22.41 O ATOM 43 CB GLU A 22 -3.632 5.855 -15.520 1.00 21.04 C ATOM 44 CG GLU A 22 -5.117 5.595 -15.708 1.00 51.52 C ATOM 45 CD GLU A 22 -5.639 6.128 -17.028 1.00 55.42 C ATOM 46 OE1 GLU A 22 -6.874 6.152 -17.212 1.00 73.03 O ATOM 47 OE2 GLU A 22 -4.812 6.522 -17.877 1.00 55.32 O ATOM 0 H GLU A 22 -1.378 6.625 -14.854 1.00 51.34 H new ATOM 0 HA GLU A 22 -3.908 6.702 -13.564 1.00 43.01 H new ATOM 0 HB2 GLU A 22 -3.357 6.757 -16.067 1.00 21.04 H new ATOM 0 HB3 GLU A 22 -3.069 5.032 -15.960 1.00 21.04 H new ATOM 0 HG2 GLU A 22 -5.304 4.523 -15.654 1.00 51.52 H new ATOM 0 HG3 GLU A 22 -5.670 6.057 -14.890 1.00 51.52 H new ATOM 54 N GLU A 23 -4.502 4.260 -12.979 1.00 51.13 N ATOM 55 CA GLU A 23 -4.706 2.991 -12.292 1.00 33.45 C ATOM 56 C GLU A 23 -4.248 1.822 -13.159 1.00 23.10 C ATOM 57 O GLU A 23 -3.716 0.833 -12.656 1.00 21.13 O ATOM 58 CB GLU A 23 -6.181 2.817 -11.921 1.00 42.21 C ATOM 59 CG GLU A 23 -7.101 2.698 -13.125 1.00 23.54 C ATOM 60 CD GLU A 23 -8.554 2.519 -12.732 1.00 54.12 C ATOM 61 OE1 GLU A 23 -8.812 2.053 -11.603 1.00 22.12 O ATOM 62 OE2 GLU A 23 -9.435 2.846 -13.555 1.00 41.34 O ATOM 0 H GLU A 23 -5.356 4.791 -13.147 1.00 51.13 H new ATOM 0 HA GLU A 23 -4.108 3.001 -11.381 1.00 33.45 H new ATOM 0 HB2 GLU A 23 -6.289 1.926 -11.302 1.00 42.21 H new ATOM 0 HB3 GLU A 23 -6.497 3.666 -11.315 1.00 42.21 H new ATOM 0 HG2 GLU A 23 -7.003 3.591 -13.743 1.00 23.54 H new ATOM 0 HG3 GLU A 23 -6.787 1.852 -13.736 1.00 23.54 H new ATOM 69 N ALA A 24 -4.459 1.944 -14.465 1.00 65.05 N ATOM 70 CA ALA A 24 -4.066 0.900 -15.403 1.00 70.45 C ATOM 71 C ALA A 24 -2.554 0.704 -15.406 1.00 23.44 C ATOM 72 O ALA A 24 -2.062 -0.398 -15.646 1.00 3.04 O ATOM 73 CB ALA A 24 -4.559 1.235 -16.803 1.00 44.24 C ATOM 0 H ALA A 24 -4.900 2.756 -14.898 1.00 65.05 H new ATOM 0 HA ALA A 24 -4.526 -0.034 -15.081 1.00 70.45 H new ATOM 0 HB1 ALA A 24 -4.258 0.447 -17.493 1.00 44.24 H new ATOM 0 HB2 ALA A 24 -5.646 1.316 -16.796 1.00 44.24 H new ATOM 0 HB3 ALA A 24 -4.126 2.183 -17.124 1.00 44.24 H new ATOM 79 N ASN A 25 -1.822 1.780 -15.137 1.00 42.12 N ATOM 80 CA ASN A 25 -0.365 1.726 -15.110 1.00 3.14 C ATOM 81 C ASN A 25 0.131 1.067 -13.826 1.00 0.32 C ATOM 82 O ASN A 25 1.248 0.553 -13.770 1.00 25.34 O ATOM 83 CB ASN A 25 0.221 3.134 -15.233 1.00 1.25 C ATOM 84 CG ASN A 25 1.635 3.126 -15.781 1.00 11.41 C ATOM 85 OD1 ASN A 25 1.856 3.395 -16.962 1.00 1.12 O ATOM 86 ND2 ASN A 25 2.600 2.817 -14.923 1.00 43.21 N ATOM 0 H ASN A 25 -2.214 2.700 -14.935 1.00 42.12 H new ATOM 0 HA ASN A 25 -0.033 1.126 -15.957 1.00 3.14 H new ATOM 0 HB2 ASN A 25 -0.415 3.734 -15.884 1.00 1.25 H new ATOM 0 HB3 ASN A 25 0.216 3.613 -14.254 1.00 1.25 H new ATOM 0 HD21 ASN A 25 3.571 2.796 -15.234 1.00 43.21 H new ATOM 0 HD22 ASN A 25 2.370 2.601 -13.953 1.00 43.21 H new ATOM 93 N THR A 26 -0.708 1.086 -12.795 1.00 14.30 N ATOM 94 CA THR A 26 -0.356 0.492 -11.512 1.00 34.03 C ATOM 95 C THR A 26 -0.900 -0.928 -11.396 1.00 5.42 C ATOM 96 O THR A 26 -0.361 -1.752 -10.656 1.00 10.43 O ATOM 97 CB THR A 26 -0.893 1.332 -10.337 1.00 42.24 C ATOM 98 OG1 THR A 26 -0.648 2.722 -10.578 1.00 12.52 O ATOM 99 CG2 THR A 26 -0.237 0.915 -9.030 1.00 1.34 C ATOM 0 H THR A 26 -1.637 1.507 -12.824 1.00 14.30 H new ATOM 0 HA THR A 26 0.733 0.467 -11.464 1.00 34.03 H new ATOM 0 HB THR A 26 -1.966 1.161 -10.256 1.00 42.24 H new ATOM 0 HG1 THR A 26 -0.993 3.250 -9.828 1.00 12.52 H new ATOM 0 HG21 THR A 26 -0.632 1.522 -8.215 1.00 1.34 H new ATOM 0 HG22 THR A 26 -0.449 -0.136 -8.836 1.00 1.34 H new ATOM 0 HG23 THR A 26 0.841 1.060 -9.101 1.00 1.34 H new ATOM 107 N THR A 27 -1.970 -1.209 -12.132 1.00 41.15 N ATOM 108 CA THR A 27 -2.586 -2.529 -12.112 1.00 34.31 C ATOM 109 C THR A 27 -2.326 -3.278 -13.414 1.00 51.00 C ATOM 110 O THR A 27 -2.356 -2.706 -14.504 1.00 1.22 O ATOM 111 CB THR A 27 -4.107 -2.436 -11.882 1.00 24.04 C ATOM 112 OG1 THR A 27 -4.646 -3.740 -11.636 1.00 42.33 O ATOM 113 CG2 THR A 27 -4.799 -1.813 -13.085 1.00 21.54 C ATOM 0 H THR A 27 -2.428 -0.539 -12.750 1.00 41.15 H new ATOM 0 HA THR A 27 -2.133 -3.076 -11.285 1.00 34.31 H new ATOM 0 HB THR A 27 -4.283 -1.801 -11.013 1.00 24.04 H new ATOM 0 HG1 THR A 27 -5.250 -3.988 -12.367 1.00 42.33 H new ATOM 0 HG21 THR A 27 -5.872 -1.758 -12.899 1.00 21.54 H new ATOM 0 HG22 THR A 27 -4.407 -0.809 -13.251 1.00 21.54 H new ATOM 0 HG23 THR A 27 -4.615 -2.425 -13.968 1.00 21.54 H new ATOM 121 N PRO A 28 -2.065 -4.589 -13.302 1.00 13.11 N ATOM 122 CA PRO A 28 -1.796 -5.444 -14.461 1.00 60.44 C ATOM 123 C PRO A 28 -3.037 -5.665 -15.320 1.00 2.12 C ATOM 124 O PRO A 28 -2.966 -5.634 -16.549 1.00 12.53 O ATOM 125 CB PRO A 28 -1.341 -6.763 -13.831 1.00 45.11 C ATOM 126 CG PRO A 28 -1.966 -6.773 -12.479 1.00 52.42 C ATOM 127 CD PRO A 28 -2.014 -5.337 -12.035 1.00 3.15 C ATOM 0 HA PRO A 28 -1.061 -5.000 -15.132 1.00 60.44 H new ATOM 0 HB2 PRO A 28 -1.667 -7.618 -14.424 1.00 45.11 H new ATOM 0 HB3 PRO A 28 -0.254 -6.816 -13.765 1.00 45.11 H new ATOM 0 HG2 PRO A 28 -2.966 -7.204 -12.515 1.00 52.42 H new ATOM 0 HG3 PRO A 28 -1.383 -7.377 -11.784 1.00 52.42 H new ATOM 0 HD2 PRO A 28 -2.888 -5.137 -11.415 1.00 3.15 H new ATOM 0 HD3 PRO A 28 -1.137 -5.069 -11.445 1.00 3.15 H new ATOM 135 N ILE A 29 -4.171 -5.887 -14.665 1.00 75.42 N ATOM 136 CA ILE A 29 -5.428 -6.111 -15.369 1.00 62.45 C ATOM 137 C ILE A 29 -6.415 -4.979 -15.107 1.00 44.21 C ATOM 138 O ILE A 29 -6.567 -4.525 -13.973 1.00 74.11 O ATOM 139 CB ILE A 29 -6.075 -7.447 -14.956 1.00 44.33 C ATOM 140 CG1 ILE A 29 -6.375 -7.450 -13.456 1.00 73.11 C ATOM 141 CG2 ILE A 29 -5.166 -8.611 -15.323 1.00 12.14 C ATOM 142 CD1 ILE A 29 -7.851 -7.370 -13.135 1.00 74.15 C ATOM 0 H ILE A 29 -4.246 -5.917 -13.648 1.00 75.42 H new ATOM 0 HA ILE A 29 -5.192 -6.145 -16.433 1.00 62.45 H new ATOM 0 HB ILE A 29 -7.015 -7.562 -15.496 1.00 44.33 H new ATOM 0 HG12 ILE A 29 -5.964 -8.357 -13.013 1.00 73.11 H new ATOM 0 HG13 ILE A 29 -5.864 -6.608 -12.990 1.00 73.11 H new ATOM 0 HG21 ILE A 29 -5.636 -9.548 -15.025 1.00 12.14 H new ATOM 0 HG22 ILE A 29 -4.998 -8.616 -16.400 1.00 12.14 H new ATOM 0 HG23 ILE A 29 -4.212 -8.504 -14.807 1.00 12.14 H new ATOM 0 HD11 ILE A 29 -7.989 -7.377 -12.054 1.00 74.15 H new ATOM 0 HD12 ILE A 29 -8.264 -6.450 -13.548 1.00 74.15 H new ATOM 0 HD13 ILE A 29 -8.365 -8.226 -13.572 1.00 74.15 H new ATOM 154 N SER A 30 -7.084 -4.528 -16.163 1.00 44.44 N ATOM 155 CA SER A 30 -8.055 -3.446 -16.048 1.00 72.30 C ATOM 156 C SER A 30 -9.461 -4.000 -15.837 1.00 53.44 C ATOM 157 O SER A 30 -9.802 -5.070 -16.341 1.00 23.21 O ATOM 158 CB SER A 30 -8.023 -2.568 -17.300 1.00 2.40 C ATOM 159 OG SER A 30 -7.832 -3.349 -18.467 1.00 5.14 O ATOM 0 H SER A 30 -6.972 -4.895 -17.108 1.00 44.44 H new ATOM 0 HA SER A 30 -7.787 -2.840 -15.182 1.00 72.30 H new ATOM 0 HB2 SER A 30 -8.956 -2.010 -17.381 1.00 2.40 H new ATOM 0 HB3 SER A 30 -7.220 -1.836 -17.214 1.00 2.40 H new ATOM 0 HG SER A 30 -7.817 -2.764 -19.253 1.00 5.14 H new ATOM 165 N VAL A 31 -10.275 -3.261 -15.089 1.00 21.41 N ATOM 166 CA VAL A 31 -11.645 -3.676 -14.811 1.00 61.14 C ATOM 167 C VAL A 31 -12.493 -3.653 -16.078 1.00 13.32 C ATOM 168 O VAL A 31 -12.361 -2.756 -16.911 1.00 64.33 O ATOM 169 CB VAL A 31 -12.301 -2.772 -13.750 1.00 62.44 C ATOM 170 CG1 VAL A 31 -11.584 -2.909 -12.416 1.00 34.34 C ATOM 171 CG2 VAL A 31 -12.307 -1.324 -14.215 1.00 53.03 C ATOM 0 H VAL A 31 -10.009 -2.372 -14.665 1.00 21.41 H new ATOM 0 HA VAL A 31 -11.596 -4.695 -14.428 1.00 61.14 H new ATOM 0 HB VAL A 31 -13.335 -3.090 -13.614 1.00 62.44 H new ATOM 0 HG11 VAL A 31 -12.061 -2.263 -11.679 1.00 34.34 H new ATOM 0 HG12 VAL A 31 -11.636 -3.944 -12.080 1.00 34.34 H new ATOM 0 HG13 VAL A 31 -10.540 -2.618 -12.532 1.00 34.34 H new ATOM 0 HG21 VAL A 31 -12.774 -0.699 -13.454 1.00 53.03 H new ATOM 0 HG22 VAL A 31 -11.282 -0.991 -14.380 1.00 53.03 H new ATOM 0 HG23 VAL A 31 -12.869 -1.243 -15.145 1.00 53.03 H new ATOM 181 N LYS A 32 -13.367 -4.644 -16.216 1.00 61.33 N ATOM 182 CA LYS A 32 -14.240 -4.738 -17.380 1.00 70.33 C ATOM 183 C LYS A 32 -15.388 -3.738 -17.282 1.00 24.33 C ATOM 184 O LYS A 32 -16.089 -3.682 -16.272 1.00 35.12 O ATOM 185 CB LYS A 32 -14.796 -6.158 -17.513 1.00 14.32 C ATOM 186 CG LYS A 32 -15.658 -6.586 -16.337 1.00 41.42 C ATOM 187 CD LYS A 32 -15.884 -8.088 -16.329 1.00 71.13 C ATOM 188 CE LYS A 32 -16.860 -8.511 -17.417 1.00 3.30 C ATOM 189 NZ LYS A 32 -17.170 -9.966 -17.349 1.00 44.34 N1+ ATOM 0 H LYS A 32 -13.490 -5.394 -15.536 1.00 61.33 H new ATOM 0 HA LYS A 32 -13.650 -4.501 -18.265 1.00 70.33 H new ATOM 0 HB2 LYS A 32 -15.385 -6.224 -18.428 1.00 14.32 H new ATOM 0 HB3 LYS A 32 -13.965 -6.856 -17.617 1.00 14.32 H new ATOM 0 HG2 LYS A 32 -15.180 -6.284 -15.405 1.00 41.42 H new ATOM 0 HG3 LYS A 32 -16.619 -6.073 -16.383 1.00 41.42 H new ATOM 0 HD2 LYS A 32 -14.933 -8.601 -16.473 1.00 71.13 H new ATOM 0 HD3 LYS A 32 -16.267 -8.394 -15.356 1.00 71.13 H new ATOM 0 HE2 LYS A 32 -17.782 -7.938 -17.320 1.00 3.30 H new ATOM 0 HE3 LYS A 32 -16.439 -8.275 -18.394 1.00 3.30 H new ATOM 0 HZ1 LYS A 32 -17.838 -10.214 -18.106 1.00 44.34 H new ATOM 0 HZ2 LYS A 32 -16.294 -10.514 -17.467 1.00 44.34 H new ATOM 0 HZ3 LYS A 32 -17.595 -10.188 -16.426 1.00 44.34 H new ATOM 203 N ASP A 33 -15.573 -2.952 -18.336 1.00 74.24 N ATOM 204 CA ASP A 33 -16.638 -1.956 -18.369 1.00 41.04 C ATOM 205 C ASP A 33 -17.381 -1.998 -19.701 1.00 65.33 C ATOM 206 O ASP A 33 -16.927 -2.631 -20.655 1.00 14.52 O ATOM 207 CB ASP A 33 -16.064 -0.558 -18.135 1.00 52.43 C ATOM 208 CG ASP A 33 -15.053 -0.162 -19.193 1.00 60.13 C ATOM 209 OD1 ASP A 33 -13.838 -0.263 -18.921 1.00 32.03 O ATOM 210 OD2 ASP A 33 -15.476 0.247 -20.294 1.00 53.53 O ATOM 0 H ASP A 33 -15.000 -2.985 -19.179 1.00 74.24 H new ATOM 0 HA ASP A 33 -17.345 -2.189 -17.572 1.00 41.04 H new ATOM 0 HB2 ASP A 33 -16.877 0.168 -18.124 1.00 52.43 H new ATOM 0 HB3 ASP A 33 -15.591 -0.522 -17.154 1.00 52.43 H new ATOM 215 N GLN A 34 -18.523 -1.322 -19.757 1.00 53.05 N ATOM 216 CA GLN A 34 -19.329 -1.284 -20.972 1.00 72.41 C ATOM 217 C GLN A 34 -18.656 -0.436 -22.046 1.00 10.01 C ATOM 218 O GLN A 34 -17.976 0.544 -21.742 1.00 2.43 O ATOM 219 CB GLN A 34 -20.723 -0.732 -20.668 1.00 3.31 C ATOM 220 CG GLN A 34 -21.769 -1.811 -20.441 1.00 51.15 C ATOM 221 CD GLN A 34 -21.894 -2.759 -21.618 1.00 2.11 C ATOM 222 OE1 GLN A 34 -21.945 -3.977 -21.446 1.00 34.03 O ATOM 223 NE2 GLN A 34 -21.943 -2.204 -22.823 1.00 53.32 N ATOM 0 H GLN A 34 -18.911 -0.793 -18.976 1.00 53.05 H new ATOM 0 HA GLN A 34 -19.424 -2.303 -21.347 1.00 72.41 H new ATOM 0 HB2 GLN A 34 -20.669 -0.099 -19.783 1.00 3.31 H new ATOM 0 HB3 GLN A 34 -21.041 -0.097 -21.495 1.00 3.31 H new ATOM 0 HG2 GLN A 34 -21.511 -2.379 -19.547 1.00 51.15 H new ATOM 0 HG3 GLN A 34 -22.735 -1.342 -20.253 1.00 51.15 H new ATOM 0 HE21 GLN A 34 -21.898 -1.190 -22.920 1.00 53.32 H new ATOM 0 HE22 GLN A 34 -22.026 -2.792 -23.652 1.00 53.32 H new ATOM 232 N CYS A 35 -18.850 -0.819 -23.303 1.00 64.44 N ATOM 233 CA CYS A 35 -18.261 -0.095 -24.423 1.00 60.24 C ATOM 234 C CYS A 35 -19.277 0.854 -25.052 1.00 12.24 C ATOM 235 O CYS A 35 -20.427 0.924 -24.619 1.00 31.21 O ATOM 236 CB CYS A 35 -17.744 -1.076 -25.477 1.00 70.52 C ATOM 237 SG CYS A 35 -19.050 -1.814 -26.511 1.00 53.30 S ATOM 0 H CYS A 35 -19.411 -1.627 -23.572 1.00 64.44 H new ATOM 0 HA CYS A 35 -17.426 0.494 -24.043 1.00 60.24 H new ATOM 0 HB2 CYS A 35 -17.034 -0.559 -26.122 1.00 70.52 H new ATOM 0 HB3 CYS A 35 -17.197 -1.875 -24.977 1.00 70.52 H new ATOM 0 HG CYS A 35 -18.545 -2.774 -27.228 1.00 53.30 H new ATOM 242 N ALA A 36 -18.844 1.583 -26.075 1.00 3.33 N ATOM 243 CA ALA A 36 -19.715 2.527 -26.764 1.00 74.41 C ATOM 244 C ALA A 36 -20.899 1.811 -27.407 1.00 1.41 C ATOM 245 O ALA A 36 -20.771 0.684 -27.882 1.00 50.13 O ATOM 246 CB ALA A 36 -18.931 3.301 -27.813 1.00 63.40 C ATOM 0 H ALA A 36 -17.895 1.538 -26.445 1.00 3.33 H new ATOM 0 HA ALA A 36 -20.104 3.229 -26.027 1.00 74.41 H new ATOM 0 HB1 ALA A 36 -19.595 4.002 -28.319 1.00 63.40 H new ATOM 0 HB2 ALA A 36 -18.122 3.850 -27.331 1.00 63.40 H new ATOM 0 HB3 ALA A 36 -18.514 2.606 -28.541 1.00 63.40 H new ATOM 252 N ASN A 37 -22.051 2.475 -27.417 1.00 64.31 N ATOM 253 CA ASN A 37 -23.258 1.901 -28.001 1.00 2.03 C ATOM 254 C ASN A 37 -23.438 2.365 -29.443 1.00 60.20 C ATOM 255 O ASN A 37 -24.516 2.225 -30.021 1.00 42.24 O ATOM 256 CB ASN A 37 -24.484 2.288 -27.172 1.00 1.53 C ATOM 257 CG ASN A 37 -25.748 1.601 -27.652 1.00 45.44 C ATOM 258 OD1 ASN A 37 -26.800 2.228 -27.774 1.00 33.12 O ATOM 259 ND2 ASN A 37 -25.648 0.306 -27.928 1.00 51.24 N ATOM 0 H ASN A 37 -22.174 3.410 -27.028 1.00 64.31 H new ATOM 0 HA ASN A 37 -23.153 0.816 -27.998 1.00 2.03 H new ATOM 0 HB2 ASN A 37 -24.309 2.031 -26.127 1.00 1.53 H new ATOM 0 HB3 ASN A 37 -24.622 3.368 -27.216 1.00 1.53 H new ATOM 0 HD21 ASN A 37 -26.464 -0.210 -28.256 1.00 51.24 H new ATOM 0 HD22 ASN A 37 -24.755 -0.173 -27.812 1.00 51.24 H new ATOM 266 N VAL A 38 -22.375 2.917 -30.019 1.00 25.23 N ATOM 267 CA VAL A 38 -22.414 3.400 -31.394 1.00 20.32 C ATOM 268 C VAL A 38 -23.059 2.374 -32.318 1.00 74.53 C ATOM 269 O VAL A 38 -22.896 1.167 -32.136 1.00 35.45 O ATOM 270 CB VAL A 38 -21.002 3.727 -31.914 1.00 41.15 C ATOM 271 CG1 VAL A 38 -20.367 4.828 -31.079 1.00 44.22 C ATOM 272 CG2 VAL A 38 -20.132 2.479 -31.916 1.00 74.20 C ATOM 0 H VAL A 38 -21.476 3.041 -29.554 1.00 25.23 H new ATOM 0 HA VAL A 38 -23.013 4.311 -31.393 1.00 20.32 H new ATOM 0 HB VAL A 38 -21.086 4.085 -32.940 1.00 41.15 H new ATOM 0 HG11 VAL A 38 -19.370 5.045 -31.461 1.00 44.22 H new ATOM 0 HG12 VAL A 38 -20.981 5.727 -31.135 1.00 44.22 H new ATOM 0 HG13 VAL A 38 -20.295 4.502 -30.041 1.00 44.22 H new ATOM 0 HG21 VAL A 38 -19.138 2.729 -32.287 1.00 74.20 H new ATOM 0 HG22 VAL A 38 -20.054 2.089 -30.901 1.00 74.20 H new ATOM 0 HG23 VAL A 38 -20.580 1.724 -32.562 1.00 74.20 H new ATOM 282 N THR A 39 -23.794 2.861 -33.314 1.00 24.12 N ATOM 283 CA THR A 39 -24.465 1.987 -34.268 1.00 23.25 C ATOM 284 C THR A 39 -23.648 1.837 -35.546 1.00 3.52 C ATOM 285 O THR A 39 -22.845 2.707 -35.887 1.00 22.42 O ATOM 286 CB THR A 39 -25.866 2.517 -34.626 1.00 43.23 C ATOM 287 OG1 THR A 39 -25.754 3.623 -35.529 1.00 75.02 O ATOM 288 CG2 THR A 39 -26.617 2.950 -33.376 1.00 42.23 C ATOM 0 H THR A 39 -23.939 3.857 -33.480 1.00 24.12 H new ATOM 0 HA THR A 39 -24.565 1.013 -33.788 1.00 23.25 H new ATOM 0 HB THR A 39 -26.424 1.712 -35.104 1.00 43.23 H new ATOM 0 HG1 THR A 39 -26.088 3.360 -36.412 1.00 75.02 H new ATOM 0 HG21 THR A 39 -27.604 3.321 -33.654 1.00 42.23 H new ATOM 0 HG22 THR A 39 -26.725 2.099 -32.704 1.00 42.23 H new ATOM 0 HG23 THR A 39 -26.061 3.741 -32.873 1.00 42.23 H new ATOM 296 N CYS A 40 -23.857 0.731 -36.250 1.00 73.45 N ATOM 297 CA CYS A 40 -23.140 0.467 -37.492 1.00 75.22 C ATOM 298 C CYS A 40 -24.105 0.395 -38.672 1.00 72.44 C ATOM 299 O CYS A 40 -25.322 0.362 -38.491 1.00 74.42 O ATOM 300 CB CYS A 40 -22.352 -0.840 -37.383 1.00 34.01 C ATOM 301 SG CYS A 40 -23.388 -2.311 -37.098 1.00 72.31 S ATOM 0 H CYS A 40 -24.518 0.002 -35.982 1.00 73.45 H new ATOM 0 HA CYS A 40 -22.445 1.289 -37.663 1.00 75.22 H new ATOM 0 HB2 CYS A 40 -21.779 -0.984 -38.299 1.00 34.01 H new ATOM 0 HB3 CYS A 40 -21.633 -0.752 -36.568 1.00 34.01 H new ATOM 0 HG CYS A 40 -22.744 -3.375 -37.476 1.00 72.31 H new ATOM 306 N ARG A 41 -23.552 0.370 -39.881 1.00 13.23 N ATOM 307 CA ARG A 41 -24.363 0.303 -41.091 1.00 30.24 C ATOM 308 C ARG A 41 -23.621 -0.433 -42.202 1.00 62.41 C ATOM 309 O ARG A 41 -22.491 -0.085 -42.544 1.00 4.22 O ATOM 310 CB ARG A 41 -24.737 1.710 -41.558 1.00 54.52 C ATOM 311 CG ARG A 41 -23.544 2.639 -41.710 1.00 41.25 C ATOM 312 CD ARG A 41 -23.496 3.672 -40.596 1.00 13.52 C ATOM 313 NE ARG A 41 -24.379 4.805 -40.861 1.00 51.23 N ATOM 314 CZ ARG A 41 -24.619 5.772 -39.982 1.00 72.32 C ATOM 315 NH1 ARG A 41 -24.045 5.743 -38.787 1.00 51.35 N1+ ATOM 316 NH2 ARG A 41 -25.435 6.770 -40.298 1.00 22.42 N ATOM 0 H ARG A 41 -22.546 0.395 -40.048 1.00 13.23 H new ATOM 0 HA ARG A 41 -25.274 -0.249 -40.858 1.00 30.24 H new ATOM 0 HB2 ARG A 41 -25.256 1.640 -42.514 1.00 54.52 H new ATOM 0 HB3 ARG A 41 -25.438 2.146 -40.846 1.00 54.52 H new ATOM 0 HG2 ARG A 41 -22.624 2.055 -41.706 1.00 41.25 H new ATOM 0 HG3 ARG A 41 -23.596 3.145 -42.674 1.00 41.25 H new ATOM 0 HD2 ARG A 41 -23.781 3.203 -39.654 1.00 13.52 H new ATOM 0 HD3 ARG A 41 -22.473 4.030 -40.477 1.00 13.52 H new ATOM 0 HE ARG A 41 -24.837 4.857 -41.771 1.00 51.23 H new ATOM 0 HH11 ARG A 41 -23.418 4.977 -38.541 1.00 51.35 H new ATOM 0 HH12 ARG A 41 -24.231 6.486 -38.114 1.00 51.35 H new ATOM 0 HH21 ARG A 41 -25.878 6.795 -41.216 1.00 22.42 H new ATOM 0 HH22 ARG A 41 -25.619 7.512 -39.623 1.00 22.42 H new ATOM 330 N ARG A 42 -24.264 -1.453 -42.762 1.00 1.14 N ATOM 331 CA ARG A 42 -23.664 -2.239 -43.833 1.00 33.21 C ATOM 332 C ARG A 42 -24.685 -2.533 -44.928 1.00 60.04 C ATOM 333 O ARG A 42 -25.831 -2.884 -44.647 1.00 33.32 O ATOM 334 CB ARG A 42 -23.103 -3.550 -43.279 1.00 62.13 C ATOM 335 CG ARG A 42 -21.949 -3.357 -42.309 1.00 1.11 C ATOM 336 CD ARG A 42 -20.605 -3.460 -43.013 1.00 73.35 C ATOM 337 NE ARG A 42 -20.174 -2.177 -43.561 1.00 1.24 N ATOM 338 CZ ARG A 42 -18.911 -1.892 -43.857 1.00 41.51 C ATOM 339 NH1 ARG A 42 -17.960 -2.794 -43.661 1.00 31.52 N1+ ATOM 340 NH2 ARG A 42 -18.597 -0.701 -44.352 1.00 1.12 N ATOM 0 H ARG A 42 -25.200 -1.754 -42.492 1.00 1.14 H new ATOM 0 HA ARG A 42 -22.850 -1.657 -44.265 1.00 33.21 H new ATOM 0 HB2 ARG A 42 -23.903 -4.094 -42.776 1.00 62.13 H new ATOM 0 HB3 ARG A 42 -22.768 -4.172 -44.109 1.00 62.13 H new ATOM 0 HG2 ARG A 42 -22.035 -2.382 -41.829 1.00 1.11 H new ATOM 0 HG3 ARG A 42 -22.006 -4.107 -41.520 1.00 1.11 H new ATOM 0 HD2 ARG A 42 -19.855 -3.824 -42.311 1.00 73.35 H new ATOM 0 HD3 ARG A 42 -20.672 -4.193 -43.817 1.00 73.35 H new ATOM 0 HE ARG A 42 -20.881 -1.461 -43.725 1.00 1.24 H new ATOM 0 HH11 ARG A 42 -18.197 -3.711 -43.282 1.00 31.52 H new ATOM 0 HH12 ARG A 42 -16.991 -2.572 -43.890 1.00 31.52 H new ATOM 0 HH21 ARG A 42 -19.326 -0.004 -44.505 1.00 1.12 H new ATOM 0 HH22 ARG A 42 -17.627 -0.483 -44.579 1.00 1.12 H new ATOM 354 N THR A 43 -24.261 -2.386 -46.180 1.00 30.50 N ATOM 355 CA THR A 43 -25.137 -2.634 -47.318 1.00 35.13 C ATOM 356 C THR A 43 -24.421 -3.434 -48.399 1.00 73.55 C ATOM 357 O THR A 43 -23.214 -3.291 -48.596 1.00 15.31 O ATOM 358 CB THR A 43 -25.653 -1.317 -47.927 1.00 14.34 C ATOM 359 OG1 THR A 43 -25.783 -0.322 -46.904 1.00 75.44 O ATOM 360 CG2 THR A 43 -26.996 -1.526 -48.611 1.00 63.02 C ATOM 0 H THR A 43 -23.316 -2.096 -46.431 1.00 30.50 H new ATOM 0 HA THR A 43 -25.984 -3.210 -46.945 1.00 35.13 H new ATOM 0 HB THR A 43 -24.932 -0.980 -48.672 1.00 14.34 H new ATOM 0 HG1 THR A 43 -25.954 0.550 -47.316 1.00 75.44 H new ATOM 0 HG21 THR A 43 -27.340 -0.582 -49.033 1.00 63.02 H new ATOM 0 HG22 THR A 43 -26.888 -2.262 -49.408 1.00 63.02 H new ATOM 0 HG23 THR A 43 -27.724 -1.884 -47.883 1.00 63.02 H new ATOM 368 N VAL A 44 -25.172 -4.278 -49.100 1.00 75.21 N ATOM 369 CA VAL A 44 -24.609 -5.101 -50.164 1.00 52.41 C ATOM 370 C VAL A 44 -25.670 -5.465 -51.197 1.00 3.00 C ATOM 371 O VAL A 44 -26.687 -6.075 -50.868 1.00 53.03 O ATOM 372 CB VAL A 44 -23.988 -6.394 -49.605 1.00 3.05 C ATOM 373 CG1 VAL A 44 -24.907 -7.024 -48.570 1.00 32.24 C ATOM 374 CG2 VAL A 44 -23.689 -7.372 -50.731 1.00 35.02 C ATOM 0 H VAL A 44 -26.172 -4.410 -48.950 1.00 75.21 H new ATOM 0 HA VAL A 44 -23.828 -4.509 -50.642 1.00 52.41 H new ATOM 0 HB VAL A 44 -23.048 -6.142 -49.115 1.00 3.05 H new ATOM 0 HG11 VAL A 44 -24.451 -7.937 -48.186 1.00 32.24 H new ATOM 0 HG12 VAL A 44 -25.064 -6.324 -47.749 1.00 32.24 H new ATOM 0 HG13 VAL A 44 -25.865 -7.263 -49.032 1.00 32.24 H new ATOM 0 HG21 VAL A 44 -23.250 -8.280 -50.317 1.00 35.02 H new ATOM 0 HG22 VAL A 44 -24.613 -7.620 -51.252 1.00 35.02 H new ATOM 0 HG23 VAL A 44 -22.988 -6.917 -51.431 1.00 35.02 H new ATOM 384 N ASP A 45 -25.425 -5.087 -52.447 1.00 24.52 N ATOM 385 CA ASP A 45 -26.358 -5.376 -53.530 1.00 1.24 C ATOM 386 C ASP A 45 -25.640 -6.032 -54.705 1.00 75.01 C ATOM 387 O ASP A 45 -24.474 -5.746 -54.971 1.00 0.20 O ATOM 388 CB ASP A 45 -27.050 -4.092 -53.991 1.00 3.04 C ATOM 389 CG ASP A 45 -26.141 -3.213 -54.827 1.00 41.11 C ATOM 390 OD1 ASP A 45 -25.612 -2.219 -54.285 1.00 35.41 O ATOM 391 OD2 ASP A 45 -25.957 -3.519 -56.024 1.00 13.24 O ATOM 0 H ASP A 45 -24.588 -4.580 -52.735 1.00 24.52 H new ATOM 0 HA ASP A 45 -27.110 -6.070 -53.154 1.00 1.24 H new ATOM 0 HB2 ASP A 45 -27.936 -4.349 -54.571 1.00 3.04 H new ATOM 0 HB3 ASP A 45 -27.390 -3.533 -53.119 1.00 3.04 H new ATOM 396 N ASN A 46 -26.346 -6.914 -55.405 1.00 34.53 N ATOM 397 CA ASN A 46 -25.776 -7.613 -56.551 1.00 53.00 C ATOM 398 C ASN A 46 -24.386 -8.150 -56.224 1.00 73.43 C ATOM 399 O ASN A 46 -23.544 -8.301 -57.109 1.00 41.44 O ATOM 400 CB ASN A 46 -25.703 -6.678 -57.760 1.00 5.44 C ATOM 401 CG ASN A 46 -26.306 -7.295 -59.006 1.00 62.23 C ATOM 402 OD1 ASN A 46 -27.368 -7.916 -58.954 1.00 2.34 O ATOM 403 ND2 ASN A 46 -25.629 -7.128 -60.136 1.00 42.44 N ATOM 0 H ASN A 46 -27.314 -7.162 -55.199 1.00 34.53 H new ATOM 0 HA ASN A 46 -26.424 -8.456 -56.791 1.00 53.00 H new ATOM 0 HB2 ASN A 46 -26.224 -5.749 -57.529 1.00 5.44 H new ATOM 0 HB3 ASN A 46 -24.662 -6.420 -57.953 1.00 5.44 H new ATOM 0 HD21 ASN A 46 -25.985 -7.522 -61.007 1.00 42.44 H new ATOM 0 HD22 ASN A 46 -24.753 -6.606 -60.133 1.00 42.44 H new ATOM 410 N ARG A 47 -24.154 -8.439 -54.948 1.00 13.32 N ATOM 411 CA ARG A 47 -22.867 -8.959 -54.504 1.00 2.12 C ATOM 412 C ARG A 47 -22.998 -10.403 -54.029 1.00 73.24 C ATOM 413 O ARG A 47 -22.092 -11.214 -54.217 1.00 74.14 O ATOM 414 CB ARG A 47 -22.303 -8.090 -53.378 1.00 23.41 C ATOM 415 CG ARG A 47 -20.849 -7.698 -53.582 1.00 4.50 C ATOM 416 CD ARG A 47 -20.545 -6.343 -52.961 1.00 31.12 C ATOM 417 NE ARG A 47 -20.274 -6.446 -51.530 1.00 4.25 N ATOM 418 CZ ARG A 47 -19.677 -5.491 -50.824 1.00 71.23 C ATOM 419 NH1 ARG A 47 -19.292 -4.368 -51.415 1.00 33.21 N1+ ATOM 420 NH2 ARG A 47 -19.465 -5.659 -49.525 1.00 41.42 N ATOM 0 H ARG A 47 -24.841 -8.322 -54.203 1.00 13.32 H new ATOM 0 HA ARG A 47 -22.182 -8.934 -55.351 1.00 2.12 H new ATOM 0 HB2 ARG A 47 -22.906 -7.186 -53.292 1.00 23.41 H new ATOM 0 HB3 ARG A 47 -22.397 -8.627 -52.434 1.00 23.41 H new ATOM 0 HG2 ARG A 47 -20.201 -8.455 -53.140 1.00 4.50 H new ATOM 0 HG3 ARG A 47 -20.625 -7.669 -54.648 1.00 4.50 H new ATOM 0 HD2 ARG A 47 -19.685 -5.899 -53.462 1.00 31.12 H new ATOM 0 HD3 ARG A 47 -21.389 -5.672 -53.123 1.00 31.12 H new ATOM 0 HE ARG A 47 -20.558 -7.297 -51.046 1.00 4.25 H new ATOM 0 HH11 ARG A 47 -19.454 -4.236 -52.413 1.00 33.21 H new ATOM 0 HH12 ARG A 47 -18.834 -3.637 -50.871 1.00 33.21 H new ATOM 0 HH21 ARG A 47 -19.760 -6.521 -49.067 1.00 41.42 H new ATOM 0 HH22 ARG A 47 -19.007 -4.926 -48.984 1.00 41.42 H new ATOM 434 N GLY A 48 -24.134 -10.717 -53.412 1.00 65.24 N ATOM 435 CA GLY A 48 -24.363 -12.063 -52.920 1.00 44.00 C ATOM 436 C GLY A 48 -23.552 -12.371 -51.677 1.00 20.32 C ATOM 437 O GLY A 48 -23.673 -13.452 -51.100 1.00 24.23 O ATOM 0 H GLY A 48 -24.899 -10.063 -53.244 1.00 65.24 H new ATOM 0 HA2 GLY A 48 -25.423 -12.191 -52.700 1.00 44.00 H new ATOM 0 HA3 GLY A 48 -24.111 -12.780 -53.701 1.00 44.00 H new ATOM 441 N LYS A 49 -22.721 -11.420 -51.263 1.00 75.30 N ATOM 442 CA LYS A 49 -21.886 -11.594 -50.081 1.00 34.45 C ATOM 443 C LYS A 49 -22.304 -10.632 -48.973 1.00 61.01 C ATOM 444 O LYS A 49 -22.499 -9.441 -49.214 1.00 42.42 O ATOM 445 CB LYS A 49 -20.414 -11.374 -50.434 1.00 22.01 C ATOM 446 CG LYS A 49 -19.832 -12.460 -51.322 1.00 75.05 C ATOM 447 CD LYS A 49 -18.317 -12.508 -51.225 1.00 21.30 C ATOM 448 CE LYS A 49 -17.684 -11.228 -51.748 1.00 24.02 C ATOM 449 NZ LYS A 49 -16.204 -11.347 -51.861 1.00 24.32 N1+ ATOM 0 H LYS A 49 -22.608 -10.520 -51.730 1.00 75.30 H new ATOM 0 HA LYS A 49 -22.018 -12.614 -49.721 1.00 34.45 H new ATOM 0 HB2 LYS A 49 -20.309 -10.412 -50.935 1.00 22.01 H new ATOM 0 HB3 LYS A 49 -19.833 -11.319 -49.514 1.00 22.01 H new ATOM 0 HG2 LYS A 49 -20.246 -13.426 -51.035 1.00 75.05 H new ATOM 0 HG3 LYS A 49 -20.126 -12.281 -52.356 1.00 75.05 H new ATOM 0 HD2 LYS A 49 -18.023 -12.663 -50.187 1.00 21.30 H new ATOM 0 HD3 LYS A 49 -17.942 -13.359 -51.793 1.00 21.30 H new ATOM 0 HE2 LYS A 49 -18.105 -10.988 -52.724 1.00 24.02 H new ATOM 0 HE3 LYS A 49 -17.932 -10.402 -51.082 1.00 24.02 H new ATOM 0 HZ1 LYS A 49 -15.810 -10.454 -52.221 1.00 24.32 H new ATOM 0 HZ2 LYS A 49 -15.800 -11.551 -50.925 1.00 24.32 H new ATOM 0 HZ3 LYS A 49 -15.967 -12.119 -52.516 1.00 24.32 H new ATOM 463 N ARG A 50 -22.438 -11.156 -47.759 1.00 60.23 N ATOM 464 CA ARG A 50 -22.832 -10.343 -46.615 1.00 61.01 C ATOM 465 C ARG A 50 -21.686 -9.439 -46.171 1.00 11.53 C ATOM 466 O ARG A 50 -20.519 -9.714 -46.451 1.00 51.24 O ATOM 467 CB ARG A 50 -23.270 -11.237 -45.454 1.00 20.14 C ATOM 468 CG ARG A 50 -24.543 -10.766 -44.769 1.00 61.43 C ATOM 469 CD ARG A 50 -25.782 -11.322 -45.455 1.00 3.55 C ATOM 470 NE ARG A 50 -25.920 -10.826 -46.821 1.00 64.14 N ATOM 471 CZ ARG A 50 -25.510 -11.498 -47.892 1.00 34.34 C ATOM 472 NH1 ARG A 50 -24.941 -12.688 -47.754 1.00 13.13 N1+ ATOM 473 NH2 ARG A 50 -25.671 -10.981 -49.103 1.00 22.01 N ATOM 0 H ARG A 50 -22.279 -12.140 -47.542 1.00 60.23 H new ATOM 0 HA ARG A 50 -23.671 -9.716 -46.918 1.00 61.01 H new ATOM 0 HB2 ARG A 50 -23.421 -12.251 -45.824 1.00 20.14 H new ATOM 0 HB3 ARG A 50 -22.467 -11.282 -44.718 1.00 20.14 H new ATOM 0 HG2 ARG A 50 -24.533 -11.078 -43.725 1.00 61.43 H new ATOM 0 HG3 ARG A 50 -24.580 -9.677 -44.776 1.00 61.43 H new ATOM 0 HD2 ARG A 50 -25.731 -12.411 -45.468 1.00 3.55 H new ATOM 0 HD3 ARG A 50 -26.667 -11.051 -44.880 1.00 3.55 H new ATOM 0 HE ARG A 50 -26.355 -9.914 -46.961 1.00 64.14 H new ATOM 0 HH11 ARG A 50 -24.817 -13.089 -46.825 1.00 13.13 H new ATOM 0 HH12 ARG A 50 -24.627 -13.202 -48.577 1.00 13.13 H new ATOM 0 HH21 ARG A 50 -26.110 -10.067 -49.213 1.00 22.01 H new ATOM 0 HH22 ARG A 50 -25.356 -11.498 -49.924 1.00 22.01 H new ATOM 487 N HIS A 51 -22.027 -8.358 -45.476 1.00 54.43 N ATOM 488 CA HIS A 51 -21.027 -7.412 -44.993 1.00 33.31 C ATOM 489 C HIS A 51 -21.215 -7.137 -43.504 1.00 52.41 C ATOM 490 O HIS A 51 -22.307 -6.777 -43.063 1.00 32.12 O ATOM 491 CB HIS A 51 -21.109 -6.104 -45.780 1.00 71.00 C ATOM 492 CG HIS A 51 -19.785 -5.426 -45.953 1.00 51.35 C ATOM 493 ND1 HIS A 51 -19.605 -4.321 -46.759 1.00 72.10 N ATOM 494 CD2 HIS A 51 -18.573 -5.700 -45.418 1.00 63.40 C ATOM 495 CE1 HIS A 51 -18.339 -3.947 -46.713 1.00 12.20 C ATOM 496 NE2 HIS A 51 -17.691 -4.767 -45.906 1.00 32.22 N ATOM 0 H HIS A 51 -22.988 -8.116 -45.235 1.00 54.43 H new ATOM 0 HA HIS A 51 -20.042 -7.855 -45.141 1.00 33.31 H new ATOM 0 HB2 HIS A 51 -21.535 -6.307 -46.762 1.00 71.00 H new ATOM 0 HB3 HIS A 51 -21.792 -5.425 -45.270 1.00 71.00 H new ATOM 0 HD2 HIS A 51 -18.342 -6.503 -44.734 1.00 63.40 H new ATOM 0 HE1 HIS A 51 -17.907 -3.112 -47.245 1.00 12.20 H new ATOM 0 HE2 HIS A 51 -16.697 -4.716 -45.682 1.00 32.22 H new ATOM 504 N ILE A 52 -20.145 -7.308 -42.736 1.00 23.01 N ATOM 505 CA ILE A 52 -20.192 -7.077 -41.297 1.00 75.35 C ATOM 506 C ILE A 52 -19.338 -5.877 -40.905 1.00 10.13 C ATOM 507 O ILE A 52 -18.233 -5.694 -41.416 1.00 74.15 O ATOM 508 CB ILE A 52 -19.713 -8.313 -40.513 1.00 14.11 C ATOM 509 CG1 ILE A 52 -20.466 -9.562 -40.976 1.00 40.25 C ATOM 510 CG2 ILE A 52 -19.903 -8.098 -39.019 1.00 2.22 C ATOM 511 CD1 ILE A 52 -20.040 -10.824 -40.260 1.00 75.42 C ATOM 0 H ILE A 52 -19.234 -7.606 -43.086 1.00 23.01 H new ATOM 0 HA ILE A 52 -21.233 -6.877 -41.043 1.00 75.35 H new ATOM 0 HB ILE A 52 -18.651 -8.459 -40.708 1.00 14.11 H new ATOM 0 HG12 ILE A 52 -21.534 -9.410 -40.823 1.00 40.25 H new ATOM 0 HG13 ILE A 52 -20.313 -9.692 -42.047 1.00 40.25 H new ATOM 0 HG21 ILE A 52 -19.560 -8.980 -38.478 1.00 2.22 H new ATOM 0 HG22 ILE A 52 -19.326 -7.230 -38.700 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -20.959 -7.930 -38.807 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -20.615 -11.669 -40.639 1.00 75.42 H new ATOM 0 HD12 ILE A 52 -18.979 -11.000 -40.434 1.00 75.42 H new ATOM 0 HD13 ILE A 52 -20.219 -10.714 -39.190 1.00 75.42 H new ATOM 523 N ASP A 53 -19.856 -5.062 -39.992 1.00 30.51 N ATOM 524 CA ASP A 53 -19.140 -3.880 -39.527 1.00 64.33 C ATOM 525 C ASP A 53 -18.680 -4.056 -38.083 1.00 52.02 C ATOM 526 O ASP A 53 -19.285 -4.803 -37.315 1.00 52.51 O ATOM 527 CB ASP A 53 -20.027 -2.640 -39.646 1.00 32.41 C ATOM 528 CG ASP A 53 -19.429 -1.432 -38.953 1.00 14.13 C ATOM 529 OD1 ASP A 53 -18.872 -0.561 -39.653 1.00 64.23 O ATOM 530 OD2 ASP A 53 -19.520 -1.356 -37.710 1.00 21.43 O ATOM 0 H ASP A 53 -20.770 -5.199 -39.559 1.00 30.51 H new ATOM 0 HA ASP A 53 -18.260 -3.748 -40.156 1.00 64.33 H new ATOM 0 HB2 ASP A 53 -20.185 -2.410 -40.700 1.00 32.41 H new ATOM 0 HB3 ASP A 53 -21.006 -2.854 -39.216 1.00 32.41 H new ATOM 535 N GLY A 54 -17.605 -3.363 -37.721 1.00 64.01 N ATOM 536 CA GLY A 54 -17.082 -3.457 -36.371 1.00 25.23 C ATOM 537 C GLY A 54 -16.984 -2.106 -35.691 1.00 14.10 C ATOM 538 O GLY A 54 -17.025 -1.067 -36.350 1.00 53.51 O ATOM 0 H GLY A 54 -17.087 -2.738 -38.339 1.00 64.01 H new ATOM 0 HA2 GLY A 54 -17.724 -4.111 -35.781 1.00 25.23 H new ATOM 0 HA3 GLY A 54 -16.095 -3.919 -36.399 1.00 25.23 H new ATOM 542 N CYS A 55 -16.857 -2.118 -34.368 1.00 61.44 N ATOM 543 CA CYS A 55 -16.756 -0.885 -33.598 1.00 20.14 C ATOM 544 C CYS A 55 -15.350 -0.713 -33.029 1.00 15.41 C ATOM 545 O CYS A 55 -14.734 -1.657 -32.535 1.00 5.42 O ATOM 546 CB CYS A 55 -17.781 -0.883 -32.462 1.00 73.31 C ATOM 547 SG CYS A 55 -19.360 -1.687 -32.885 1.00 34.32 S ATOM 0 H CYS A 55 -16.822 -2.969 -33.807 1.00 61.44 H new ATOM 0 HA CYS A 55 -16.963 -0.050 -34.267 1.00 20.14 H new ATOM 0 HB2 CYS A 55 -17.350 -1.386 -31.597 1.00 73.31 H new ATOM 0 HB3 CYS A 55 -17.978 0.147 -32.166 1.00 73.31 H new ATOM 552 N PRO A 56 -14.831 0.522 -33.099 1.00 53.12 N ATOM 553 CA PRO A 56 -13.494 0.848 -32.596 1.00 3.33 C ATOM 554 C PRO A 56 -13.419 0.797 -31.074 1.00 1.45 C ATOM 555 O PRO A 56 -12.361 0.569 -30.487 1.00 44.13 O ATOM 556 CB PRO A 56 -13.266 2.277 -33.095 1.00 5.21 C ATOM 557 CG PRO A 56 -14.633 2.844 -33.260 1.00 34.13 C ATOM 558 CD PRO A 56 -15.510 1.695 -33.675 1.00 12.10 C ATOM 0 HA PRO A 56 -12.744 0.137 -32.941 1.00 3.33 H new ATOM 0 HB2 PRO A 56 -12.681 2.857 -32.381 1.00 5.21 H new ATOM 0 HB3 PRO A 56 -12.718 2.284 -34.037 1.00 5.21 H new ATOM 0 HG2 PRO A 56 -14.986 3.288 -32.329 1.00 34.13 H new ATOM 0 HG3 PRO A 56 -14.640 3.632 -34.013 1.00 34.13 H new ATOM 0 HD2 PRO A 56 -16.523 1.803 -33.288 1.00 12.10 H new ATOM 0 HD3 PRO A 56 -15.589 1.621 -34.760 1.00 12.10 H new ATOM 566 N PRO A 57 -14.568 1.015 -30.416 1.00 62.42 N ATOM 567 CA PRO A 57 -14.658 0.997 -28.953 1.00 51.52 C ATOM 568 C PRO A 57 -14.480 -0.403 -28.378 1.00 24.33 C ATOM 569 O PRO A 57 -14.734 -0.637 -27.197 1.00 53.00 O ATOM 570 CB PRO A 57 -16.074 1.512 -28.679 1.00 64.22 C ATOM 571 CG PRO A 57 -16.842 1.180 -29.912 1.00 12.25 C ATOM 572 CD PRO A 57 -15.867 1.293 -31.051 1.00 31.13 C ATOM 0 HA PRO A 57 -13.874 1.596 -28.489 1.00 51.52 H new ATOM 0 HB2 PRO A 57 -16.507 1.032 -27.801 1.00 64.22 H new ATOM 0 HB3 PRO A 57 -16.075 2.585 -28.489 1.00 64.22 H new ATOM 0 HG2 PRO A 57 -17.258 0.174 -29.853 1.00 12.25 H new ATOM 0 HG3 PRO A 57 -17.680 1.865 -30.046 1.00 12.25 H new ATOM 0 HD2 PRO A 57 -16.089 0.577 -31.843 1.00 31.13 H new ATOM 0 HD3 PRO A 57 -15.890 2.285 -31.503 1.00 31.13 H new ATOM 580 N GLY A 58 -14.040 -1.333 -29.220 1.00 45.14 N ATOM 581 CA GLY A 58 -13.834 -2.699 -28.776 1.00 73.25 C ATOM 582 C GLY A 58 -15.055 -3.570 -28.998 1.00 22.42 C ATOM 583 O GLY A 58 -14.990 -4.792 -28.854 1.00 43.40 O ATOM 0 H GLY A 58 -13.822 -1.165 -30.202 1.00 45.14 H new ATOM 0 HA2 GLY A 58 -12.984 -3.127 -29.308 1.00 73.25 H new ATOM 0 HA3 GLY A 58 -13.579 -2.699 -27.716 1.00 73.25 H new ATOM 587 N CYS A 59 -16.173 -2.942 -29.347 1.00 65.32 N ATOM 588 CA CYS A 59 -17.415 -3.667 -29.587 1.00 24.12 C ATOM 589 C CYS A 59 -17.530 -4.080 -31.051 1.00 44.14 C ATOM 590 O CYS A 59 -16.819 -3.559 -31.912 1.00 71.34 O ATOM 591 CB CYS A 59 -18.616 -2.806 -29.192 1.00 51.04 C ATOM 592 SG CYS A 59 -18.680 -2.385 -27.421 1.00 44.43 S ATOM 0 H CYS A 59 -16.244 -1.932 -29.470 1.00 65.32 H new ATOM 0 HA CYS A 59 -17.405 -4.568 -28.974 1.00 24.12 H new ATOM 0 HB2 CYS A 59 -18.595 -1.884 -29.773 1.00 51.04 H new ATOM 0 HB3 CYS A 59 -19.531 -3.332 -29.462 1.00 51.04 H new ATOM 0 HG CYS A 59 -19.449 -1.351 -27.248 1.00 44.43 H new ATOM 597 N LEU A 60 -18.429 -5.018 -31.327 1.00 22.13 N ATOM 598 CA LEU A 60 -18.638 -5.502 -32.687 1.00 52.41 C ATOM 599 C LEU A 60 -20.113 -5.428 -33.070 1.00 43.24 C ATOM 600 O LEU A 60 -20.993 -5.536 -32.217 1.00 34.15 O ATOM 601 CB LEU A 60 -18.136 -6.940 -32.821 1.00 60.21 C ATOM 602 CG LEU A 60 -19.092 -8.032 -32.340 1.00 71.43 C ATOM 603 CD1 LEU A 60 -19.548 -7.754 -30.916 1.00 64.12 C ATOM 604 CD2 LEU A 60 -20.289 -8.142 -33.273 1.00 52.13 C ATOM 0 H LEU A 60 -19.025 -5.459 -30.627 1.00 22.13 H new ATOM 0 HA LEU A 60 -18.073 -4.862 -33.365 1.00 52.41 H new ATOM 0 HB2 LEU A 60 -17.902 -7.126 -33.869 1.00 60.21 H new ATOM 0 HB3 LEU A 60 -17.203 -7.031 -32.265 1.00 60.21 H new ATOM 0 HG LEU A 60 -18.560 -8.983 -32.350 1.00 71.43 H new ATOM 0 HD11 LEU A 60 -20.228 -8.542 -30.591 1.00 64.12 H new ATOM 0 HD12 LEU A 60 -18.682 -7.727 -30.255 1.00 64.12 H new ATOM 0 HD13 LEU A 60 -20.062 -6.794 -30.880 1.00 64.12 H new ATOM 0 HD21 LEU A 60 -20.959 -8.924 -32.915 1.00 52.13 H new ATOM 0 HD22 LEU A 60 -20.821 -7.191 -33.296 1.00 52.13 H new ATOM 0 HD23 LEU A 60 -19.946 -8.390 -34.277 1.00 52.13 H new ATOM 616 N CYS A 61 -20.375 -5.245 -34.360 1.00 50.01 N ATOM 617 CA CYS A 61 -21.742 -5.159 -34.858 1.00 55.41 C ATOM 618 C CYS A 61 -22.020 -6.259 -35.878 1.00 53.24 C ATOM 619 O CYS A 61 -21.395 -6.311 -36.937 1.00 43.14 O ATOM 620 CB CYS A 61 -21.992 -3.787 -35.490 1.00 21.55 C ATOM 621 SG CYS A 61 -23.401 -3.746 -36.644 1.00 2.54 S ATOM 0 H CYS A 61 -19.658 -5.153 -35.079 1.00 50.01 H new ATOM 0 HA CYS A 61 -22.418 -5.292 -34.014 1.00 55.41 H new ATOM 0 HB2 CYS A 61 -22.164 -3.059 -34.697 1.00 21.55 H new ATOM 0 HB3 CYS A 61 -21.093 -3.474 -36.020 1.00 21.55 H new ATOM 0 HG CYS A 61 -23.769 -2.514 -36.836 1.00 2.54 H new ATOM 626 N VAL A 62 -22.963 -7.137 -35.552 1.00 15.33 N ATOM 627 CA VAL A 62 -23.326 -8.235 -36.439 1.00 61.23 C ATOM 628 C VAL A 62 -24.747 -8.071 -36.965 1.00 54.21 C ATOM 629 O VAL A 62 -25.714 -8.129 -36.203 1.00 64.24 O ATOM 630 CB VAL A 62 -23.208 -9.595 -35.726 1.00 72.31 C ATOM 631 CG1 VAL A 62 -23.984 -9.581 -34.418 1.00 24.14 C ATOM 632 CG2 VAL A 62 -23.696 -10.716 -36.632 1.00 41.53 C ATOM 0 H VAL A 62 -23.490 -7.109 -34.679 1.00 15.33 H new ATOM 0 HA VAL A 62 -22.627 -8.210 -37.275 1.00 61.23 H new ATOM 0 HB VAL A 62 -22.158 -9.775 -35.496 1.00 72.31 H new ATOM 0 HG11 VAL A 62 -23.889 -10.550 -33.928 1.00 24.14 H new ATOM 0 HG12 VAL A 62 -23.584 -8.804 -33.766 1.00 24.14 H new ATOM 0 HG13 VAL A 62 -25.036 -9.378 -34.621 1.00 24.14 H new ATOM 0 HG21 VAL A 62 -23.605 -11.670 -36.112 1.00 41.53 H new ATOM 0 HG22 VAL A 62 -24.740 -10.543 -36.894 1.00 41.53 H new ATOM 0 HG23 VAL A 62 -23.093 -10.739 -37.540 1.00 41.53 H new ATOM 642 N LEU A 63 -24.869 -7.865 -38.272 1.00 23.31 N ATOM 643 CA LEU A 63 -26.173 -7.693 -38.901 1.00 53.25 C ATOM 644 C LEU A 63 -26.395 -8.737 -39.991 1.00 45.01 C ATOM 645 O LEU A 63 -25.576 -8.887 -40.898 1.00 65.10 O ATOM 646 CB LEU A 63 -26.294 -6.288 -39.494 1.00 1.42 C ATOM 647 CG LEU A 63 -25.621 -6.071 -40.850 1.00 14.22 C ATOM 648 CD1 LEU A 63 -26.002 -4.715 -41.424 1.00 1.13 C ATOM 649 CD2 LEU A 63 -24.110 -6.192 -40.721 1.00 60.30 C ATOM 0 H LEU A 63 -24.080 -7.813 -38.916 1.00 23.31 H new ATOM 0 HA LEU A 63 -26.938 -7.826 -38.135 1.00 53.25 H new ATOM 0 HB2 LEU A 63 -27.352 -6.047 -39.594 1.00 1.42 H new ATOM 0 HB3 LEU A 63 -25.871 -5.578 -38.783 1.00 1.42 H new ATOM 0 HG LEU A 63 -25.970 -6.844 -41.535 1.00 14.22 H new ATOM 0 HD11 LEU A 63 -25.514 -4.578 -42.389 1.00 1.13 H new ATOM 0 HD12 LEU A 63 -27.083 -4.666 -41.554 1.00 1.13 H new ATOM 0 HD13 LEU A 63 -25.683 -3.928 -40.741 1.00 1.13 H new ATOM 0 HD21 LEU A 63 -23.648 -6.035 -41.696 1.00 60.30 H new ATOM 0 HD22 LEU A 63 -23.743 -5.442 -40.020 1.00 60.30 H new ATOM 0 HD23 LEU A 63 -23.855 -7.186 -40.355 1.00 60.30 H new ATOM 661 N LYS A 64 -27.508 -9.456 -39.897 1.00 51.31 N ATOM 662 CA LYS A 64 -27.841 -10.484 -40.876 1.00 45.00 C ATOM 663 C LYS A 64 -28.905 -9.986 -41.848 1.00 53.00 C ATOM 664 O LYS A 64 -29.992 -9.580 -41.439 1.00 1.53 O ATOM 665 CB LYS A 64 -28.331 -11.750 -40.170 1.00 15.22 C ATOM 666 CG LYS A 64 -27.217 -12.565 -39.537 1.00 44.42 C ATOM 667 CD LYS A 64 -27.716 -13.919 -39.063 1.00 61.22 C ATOM 668 CE LYS A 64 -28.511 -13.800 -37.772 1.00 52.42 C ATOM 669 NZ LYS A 64 -27.629 -13.552 -36.598 1.00 51.34 N1+ ATOM 0 H LYS A 64 -28.196 -9.346 -39.152 1.00 51.31 H new ATOM 0 HA LYS A 64 -26.939 -10.717 -41.442 1.00 45.00 H new ATOM 0 HB2 LYS A 64 -29.048 -11.471 -39.398 1.00 15.22 H new ATOM 0 HB3 LYS A 64 -28.862 -12.374 -40.889 1.00 15.22 H new ATOM 0 HG2 LYS A 64 -26.412 -12.705 -40.259 1.00 44.42 H new ATOM 0 HG3 LYS A 64 -26.797 -12.016 -38.694 1.00 44.42 H new ATOM 0 HD2 LYS A 64 -28.340 -14.369 -39.835 1.00 61.22 H new ATOM 0 HD3 LYS A 64 -26.868 -14.587 -38.909 1.00 61.22 H new ATOM 0 HE2 LYS A 64 -29.232 -12.987 -37.863 1.00 52.42 H new ATOM 0 HE3 LYS A 64 -29.081 -14.715 -37.611 1.00 52.42 H new ATOM 0 HZ1 LYS A 64 -28.178 -13.662 -35.722 1.00 51.34 H new ATOM 0 HZ2 LYS A 64 -26.844 -14.235 -36.603 1.00 51.34 H new ATOM 0 HZ3 LYS A 64 -27.247 -12.586 -36.648 1.00 51.34 H new ATOM 683 N GLY A 65 -28.586 -10.022 -43.138 1.00 40.03 N ATOM 684 CA GLY A 65 -29.526 -9.573 -44.148 1.00 55.31 C ATOM 685 C GLY A 65 -29.548 -10.477 -45.364 1.00 64.51 C ATOM 686 O GLY A 65 -28.560 -10.603 -46.089 1.00 10.35 O ATOM 0 H GLY A 65 -27.693 -10.354 -43.502 1.00 40.03 H new ATOM 0 HA2 GLY A 65 -30.525 -9.528 -43.715 1.00 55.31 H new ATOM 0 HA3 GLY A 65 -29.266 -8.560 -44.457 1.00 55.31 H new ATOM 690 N PRO A 66 -30.695 -11.130 -45.601 1.00 55.55 N ATOM 691 CA PRO A 66 -30.868 -12.040 -46.737 1.00 55.13 C ATOM 692 C PRO A 66 -30.897 -11.303 -48.072 1.00 12.21 C ATOM 693 O PRO A 66 -30.447 -10.161 -48.171 1.00 71.20 O ATOM 694 CB PRO A 66 -32.222 -12.699 -46.461 1.00 53.40 C ATOM 695 CG PRO A 66 -32.956 -11.715 -45.616 1.00 34.50 C ATOM 696 CD PRO A 66 -31.913 -11.028 -44.780 1.00 11.25 C ATOM 0 HA PRO A 66 -30.043 -12.747 -46.821 1.00 55.13 H new ATOM 0 HB2 PRO A 66 -32.759 -12.904 -47.387 1.00 53.40 H new ATOM 0 HB3 PRO A 66 -32.101 -13.652 -45.945 1.00 53.40 H new ATOM 0 HG2 PRO A 66 -33.496 -10.997 -46.233 1.00 34.50 H new ATOM 0 HG3 PRO A 66 -33.694 -12.214 -44.987 1.00 34.50 H new ATOM 0 HD2 PRO A 66 -32.178 -9.989 -44.581 1.00 11.25 H new ATOM 0 HD3 PRO A 66 -31.788 -11.516 -43.813 1.00 11.25 H new ATOM 704 N ASP A 67 -31.429 -11.962 -49.095 1.00 72.01 N ATOM 705 CA ASP A 67 -31.518 -11.368 -50.424 1.00 60.31 C ATOM 706 C ASP A 67 -32.208 -10.009 -50.367 1.00 74.20 C ATOM 707 O ASP A 67 -32.032 -9.175 -51.255 1.00 14.34 O ATOM 708 CB ASP A 67 -32.275 -12.299 -51.372 1.00 60.35 C ATOM 709 CG ASP A 67 -32.082 -11.924 -52.829 1.00 22.34 C ATOM 710 OD1 ASP A 67 -31.057 -11.285 -53.146 1.00 50.40 O ATOM 711 OD2 ASP A 67 -32.955 -12.271 -53.651 1.00 61.20 O ATOM 0 H ASP A 67 -31.805 -12.908 -49.030 1.00 72.01 H new ATOM 0 HA ASP A 67 -30.505 -11.225 -50.800 1.00 60.31 H new ATOM 0 HB2 ASP A 67 -31.938 -13.324 -51.216 1.00 60.35 H new ATOM 0 HB3 ASP A 67 -33.338 -12.273 -51.131 1.00 60.35 H new ATOM 716 N SER A 68 -32.995 -9.794 -49.318 1.00 34.44 N ATOM 717 CA SER A 68 -33.716 -8.539 -49.147 1.00 55.51 C ATOM 718 C SER A 68 -32.899 -7.551 -48.320 1.00 52.20 C ATOM 719 O SER A 68 -33.439 -6.600 -47.754 1.00 74.11 O ATOM 720 CB SER A 68 -35.068 -8.789 -48.475 1.00 24.05 C ATOM 721 OG SER A 68 -35.894 -7.640 -48.548 1.00 34.43 O ATOM 0 H SER A 68 -33.149 -10.474 -48.573 1.00 34.44 H new ATOM 0 HA SER A 68 -33.884 -8.108 -50.134 1.00 55.51 H new ATOM 0 HB2 SER A 68 -35.567 -9.630 -48.956 1.00 24.05 H new ATOM 0 HB3 SER A 68 -34.914 -9.064 -47.432 1.00 24.05 H new ATOM 0 HG SER A 68 -35.355 -6.839 -48.382 1.00 34.43 H new ATOM 727 N LYS A 69 -31.593 -7.783 -48.254 1.00 44.14 N ATOM 728 CA LYS A 69 -30.698 -6.915 -47.498 1.00 42.33 C ATOM 729 C LYS A 69 -30.898 -5.454 -47.889 1.00 72.03 C ATOM 730 O LYS A 69 -31.401 -5.155 -48.973 1.00 5.13 O ATOM 731 CB LYS A 69 -29.241 -7.321 -47.732 1.00 71.25 C ATOM 732 CG LYS A 69 -28.793 -7.173 -49.176 1.00 61.31 C ATOM 733 CD LYS A 69 -28.998 -8.460 -49.958 1.00 55.44 C ATOM 734 CE LYS A 69 -28.165 -8.478 -51.231 1.00 10.44 C ATOM 735 NZ LYS A 69 -28.440 -9.686 -52.057 1.00 2.33 N1+ ATOM 0 H LYS A 69 -31.130 -8.566 -48.716 1.00 44.14 H new ATOM 0 HA LYS A 69 -30.934 -7.026 -46.440 1.00 42.33 H new ATOM 0 HB2 LYS A 69 -28.597 -6.714 -47.096 1.00 71.25 H new ATOM 0 HB3 LYS A 69 -29.107 -8.358 -47.423 1.00 71.25 H new ATOM 0 HG2 LYS A 69 -29.351 -6.365 -49.650 1.00 61.31 H new ATOM 0 HG3 LYS A 69 -27.740 -6.893 -49.204 1.00 61.31 H new ATOM 0 HD2 LYS A 69 -28.729 -9.313 -49.334 1.00 55.44 H new ATOM 0 HD3 LYS A 69 -30.053 -8.569 -50.211 1.00 55.44 H new ATOM 0 HE2 LYS A 69 -28.376 -7.583 -51.816 1.00 10.44 H new ATOM 0 HE3 LYS A 69 -27.106 -8.448 -50.973 1.00 10.44 H new ATOM 0 HZ1 LYS A 69 -28.059 -9.546 -53.015 1.00 2.33 H new ATOM 0 HZ2 LYS A 69 -27.987 -10.515 -51.622 1.00 2.33 H new ATOM 0 HZ3 LYS A 69 -29.467 -9.842 -52.112 1.00 2.33 H new ATOM 749 N ASP A 70 -30.501 -4.549 -47.002 1.00 32.05 N ATOM 750 CA ASP A 70 -30.635 -3.119 -47.255 1.00 61.22 C ATOM 751 C ASP A 70 -29.569 -2.331 -46.499 1.00 75.25 C ATOM 752 O ASP A 70 -28.655 -2.909 -45.914 1.00 30.23 O ATOM 753 CB ASP A 70 -32.028 -2.636 -46.850 1.00 11.34 C ATOM 754 CG ASP A 70 -33.133 -3.397 -47.555 1.00 52.44 C ATOM 755 OD1 ASP A 70 -33.289 -3.216 -48.782 1.00 24.44 O ATOM 756 OD2 ASP A 70 -33.842 -4.173 -46.882 1.00 11.01 O ATOM 0 H ASP A 70 -30.083 -4.780 -46.101 1.00 32.05 H new ATOM 0 HA ASP A 70 -30.497 -2.949 -48.323 1.00 61.22 H new ATOM 0 HB2 ASP A 70 -32.147 -2.744 -45.772 1.00 11.34 H new ATOM 0 HB3 ASP A 70 -32.121 -1.574 -47.076 1.00 11.34 H new ATOM 761 N ASN A 71 -29.694 -1.008 -46.518 1.00 74.25 N ATOM 762 CA ASN A 71 -28.741 -0.141 -45.836 1.00 51.53 C ATOM 763 C ASN A 71 -29.098 0.006 -44.360 1.00 55.13 C ATOM 764 O ASN A 71 -28.622 0.917 -43.682 1.00 40.43 O ATOM 765 CB ASN A 71 -28.705 1.236 -46.503 1.00 40.10 C ATOM 766 CG ASN A 71 -29.197 1.197 -47.937 1.00 13.21 C ATOM 767 OD1 ASN A 71 -28.430 0.929 -48.861 1.00 61.43 O ATOM 768 ND2 ASN A 71 -30.484 1.466 -48.128 1.00 45.21 N ATOM 0 H ASN A 71 -30.446 -0.513 -46.998 1.00 74.25 H new ATOM 0 HA ASN A 71 -27.755 -0.599 -45.909 1.00 51.53 H new ATOM 0 HB2 ASN A 71 -29.319 1.930 -45.930 1.00 40.10 H new ATOM 0 HB3 ASN A 71 -27.685 1.620 -46.482 1.00 40.10 H new ATOM 0 HD21 ASN A 71 -30.873 1.455 -49.071 1.00 45.21 H new ATOM 0 HD22 ASN A 71 -31.083 1.683 -47.332 1.00 45.21 H new ATOM 775 N LEU A 72 -29.939 -0.897 -43.869 1.00 15.05 N ATOM 776 CA LEU A 72 -30.361 -0.870 -42.472 1.00 41.52 C ATOM 777 C LEU A 72 -29.162 -0.701 -41.545 1.00 2.23 C ATOM 778 O LEU A 72 -28.019 -0.923 -41.945 1.00 21.24 O ATOM 779 CB LEU A 72 -31.115 -2.153 -42.121 1.00 70.32 C ATOM 780 CG LEU A 72 -31.898 -2.134 -40.808 1.00 31.10 C ATOM 781 CD1 LEU A 72 -32.766 -0.889 -40.722 1.00 55.45 C ATOM 782 CD2 LEU A 72 -32.748 -3.389 -40.675 1.00 71.35 C ATOM 0 H LEU A 72 -30.342 -1.657 -44.417 1.00 15.05 H new ATOM 0 HA LEU A 72 -31.026 -0.017 -42.335 1.00 41.52 H new ATOM 0 HB2 LEU A 72 -31.809 -2.376 -42.931 1.00 70.32 H new ATOM 0 HB3 LEU A 72 -30.398 -2.973 -42.081 1.00 70.32 H new ATOM 0 HG LEU A 72 -31.186 -2.113 -39.983 1.00 31.10 H new ATOM 0 HD11 LEU A 72 -33.316 -0.893 -39.781 1.00 55.45 H new ATOM 0 HD12 LEU A 72 -32.135 -0.002 -40.770 1.00 55.45 H new ATOM 0 HD13 LEU A 72 -33.471 -0.879 -41.554 1.00 55.45 H new ATOM 0 HD21 LEU A 72 -33.298 -3.358 -39.735 1.00 71.35 H new ATOM 0 HD22 LEU A 72 -33.452 -3.441 -41.506 1.00 71.35 H new ATOM 0 HD23 LEU A 72 -32.104 -4.268 -40.690 1.00 71.35 H new ATOM 794 N ASP A 73 -29.431 -0.309 -40.304 1.00 44.33 N ATOM 795 CA ASP A 73 -28.374 -0.113 -39.318 1.00 71.52 C ATOM 796 C ASP A 73 -28.284 -1.309 -38.375 1.00 3.22 C ATOM 797 O ASP A 73 -29.288 -1.954 -38.076 1.00 2.24 O ATOM 798 CB ASP A 73 -28.624 1.166 -38.518 1.00 70.20 C ATOM 799 CG ASP A 73 -27.737 1.265 -37.293 1.00 5.11 C ATOM 800 OD1 ASP A 73 -28.002 0.545 -36.308 1.00 30.24 O ATOM 801 OD2 ASP A 73 -26.776 2.062 -37.320 1.00 1.33 O ATOM 0 H ASP A 73 -30.372 -0.121 -39.957 1.00 44.33 H new ATOM 0 HA ASP A 73 -27.427 -0.019 -39.849 1.00 71.52 H new ATOM 0 HB2 ASP A 73 -28.452 2.031 -39.158 1.00 70.20 H new ATOM 0 HB3 ASP A 73 -29.669 1.200 -38.210 1.00 70.20 H new ATOM 806 N GLY A 74 -27.072 -1.599 -37.910 1.00 33.32 N ATOM 807 CA GLY A 74 -26.873 -2.717 -37.006 1.00 60.43 C ATOM 808 C GLY A 74 -26.598 -2.271 -35.584 1.00 23.40 C ATOM 809 O GLY A 74 -26.335 -1.095 -35.333 1.00 53.43 O ATOM 0 H GLY A 74 -26.225 -1.080 -38.143 1.00 33.32 H new ATOM 0 HA2 GLY A 74 -27.758 -3.353 -37.019 1.00 60.43 H new ATOM 0 HA3 GLY A 74 -26.040 -3.323 -37.361 1.00 60.43 H new ATOM 813 N THR A 75 -26.659 -3.213 -34.648 1.00 21.34 N ATOM 814 CA THR A 75 -26.417 -2.911 -33.243 1.00 32.14 C ATOM 815 C THR A 75 -24.960 -3.157 -32.870 1.00 64.21 C ATOM 816 O THR A 75 -24.183 -3.681 -33.670 1.00 55.41 O ATOM 817 CB THR A 75 -27.320 -3.755 -32.323 1.00 63.20 C ATOM 818 OG1 THR A 75 -28.472 -4.203 -33.045 1.00 72.40 O ATOM 819 CG2 THR A 75 -27.757 -2.951 -31.108 1.00 32.31 C ATOM 0 H THR A 75 -26.874 -4.192 -34.838 1.00 21.34 H new ATOM 0 HA THR A 75 -26.652 -1.856 -33.102 1.00 32.14 H new ATOM 0 HB THR A 75 -26.748 -4.618 -31.981 1.00 63.20 H new ATOM 0 HG1 THR A 75 -29.040 -4.740 -32.454 1.00 72.40 H new ATOM 0 HG21 THR A 75 -28.393 -3.568 -30.473 1.00 32.31 H new ATOM 0 HG22 THR A 75 -26.878 -2.637 -30.545 1.00 32.31 H new ATOM 0 HG23 THR A 75 -28.313 -2.072 -31.434 1.00 32.31 H new ATOM 827 N CYS A 76 -24.593 -2.777 -31.651 1.00 32.34 N ATOM 828 CA CYS A 76 -23.228 -2.957 -31.171 1.00 52.31 C ATOM 829 C CYS A 76 -23.205 -3.796 -29.897 1.00 13.55 C ATOM 830 O CYS A 76 -24.063 -3.645 -29.026 1.00 2.51 O ATOM 831 CB CYS A 76 -22.573 -1.598 -30.913 1.00 34.34 C ATOM 832 SG CYS A 76 -21.057 -1.308 -31.880 1.00 12.33 S ATOM 0 H CYS A 76 -25.223 -2.342 -30.977 1.00 32.34 H new ATOM 0 HA CYS A 76 -22.665 -3.484 -31.941 1.00 52.31 H new ATOM 0 HB2 CYS A 76 -23.292 -0.811 -31.140 1.00 34.34 H new ATOM 0 HB3 CYS A 76 -22.336 -1.516 -29.852 1.00 34.34 H new ATOM 837 N TYR A 77 -22.219 -4.679 -29.794 1.00 44.12 N ATOM 838 CA TYR A 77 -22.085 -5.543 -28.628 1.00 24.33 C ATOM 839 C TYR A 77 -20.636 -5.597 -28.153 1.00 2.33 C ATOM 840 O TYR A 77 -19.704 -5.575 -28.958 1.00 54.35 O ATOM 841 CB TYR A 77 -22.579 -6.954 -28.953 1.00 2.03 C ATOM 842 CG TYR A 77 -22.791 -7.818 -27.730 1.00 40.11 C ATOM 843 CD1 TYR A 77 -24.066 -8.037 -27.222 1.00 45.32 C ATOM 844 CD2 TYR A 77 -21.716 -8.416 -27.083 1.00 75.33 C ATOM 845 CE1 TYR A 77 -24.264 -8.825 -26.105 1.00 43.30 C ATOM 846 CE2 TYR A 77 -21.905 -9.207 -25.966 1.00 74.03 C ATOM 847 CZ TYR A 77 -23.181 -9.408 -25.481 1.00 3.22 C ATOM 848 OH TYR A 77 -23.374 -10.195 -24.369 1.00 12.55 O ATOM 0 H TYR A 77 -21.500 -4.815 -30.505 1.00 44.12 H new ATOM 0 HA TYR A 77 -22.696 -5.126 -27.827 1.00 24.33 H new ATOM 0 HB2 TYR A 77 -23.516 -6.884 -29.505 1.00 2.03 H new ATOM 0 HB3 TYR A 77 -21.858 -7.440 -29.610 1.00 2.03 H new ATOM 0 HD1 TYR A 77 -24.917 -7.583 -27.709 1.00 45.32 H new ATOM 0 HD2 TYR A 77 -20.716 -8.260 -27.460 1.00 75.33 H new ATOM 0 HE1 TYR A 77 -25.261 -8.984 -25.722 1.00 43.30 H new ATOM 0 HE2 TYR A 77 -21.059 -9.665 -25.475 1.00 74.03 H new ATOM 0 HH TYR A 77 -22.510 -10.530 -24.052 1.00 12.55 H new ATOM 858 N LEU A 78 -20.453 -5.668 -26.839 1.00 13.32 N ATOM 859 CA LEU A 78 -19.118 -5.725 -26.254 1.00 31.22 C ATOM 860 C LEU A 78 -18.572 -7.149 -26.282 1.00 33.32 C ATOM 861 O LEU A 78 -19.194 -8.074 -25.757 1.00 24.31 O ATOM 862 CB LEU A 78 -19.147 -5.206 -24.815 1.00 74.32 C ATOM 863 CG LEU A 78 -17.862 -4.549 -24.312 1.00 44.14 C ATOM 864 CD1 LEU A 78 -18.125 -3.771 -23.032 1.00 61.33 C ATOM 865 CD2 LEU A 78 -16.779 -5.595 -24.090 1.00 34.31 C ATOM 0 H LEU A 78 -21.213 -5.687 -26.158 1.00 13.32 H new ATOM 0 HA LEU A 78 -18.460 -5.091 -26.849 1.00 31.22 H new ATOM 0 HB2 LEU A 78 -19.959 -4.484 -24.727 1.00 74.32 H new ATOM 0 HB3 LEU A 78 -19.388 -6.039 -24.154 1.00 74.32 H new ATOM 0 HG LEU A 78 -17.513 -3.850 -25.072 1.00 44.14 H new ATOM 0 HD11 LEU A 78 -17.198 -3.310 -22.689 1.00 61.33 H new ATOM 0 HD12 LEU A 78 -18.867 -2.995 -23.223 1.00 61.33 H new ATOM 0 HD13 LEU A 78 -18.499 -4.449 -22.265 1.00 61.33 H new ATOM 0 HD21 LEU A 78 -15.872 -5.109 -23.732 1.00 34.31 H new ATOM 0 HD22 LEU A 78 -17.119 -6.319 -23.350 1.00 34.31 H new ATOM 0 HD23 LEU A 78 -16.570 -6.107 -25.029 1.00 34.31 H new ATOM 877 N LEU A 79 -17.406 -7.318 -26.895 1.00 73.35 N ATOM 878 CA LEU A 79 -16.774 -8.630 -26.990 1.00 55.21 C ATOM 879 C LEU A 79 -16.261 -9.086 -25.628 1.00 72.42 C ATOM 880 O LEU A 79 -15.912 -8.267 -24.779 1.00 20.10 O ATOM 881 CB LEU A 79 -15.622 -8.591 -27.995 1.00 72.34 C ATOM 882 CG LEU A 79 -15.702 -9.595 -29.147 1.00 11.54 C ATOM 883 CD1 LEU A 79 -15.816 -11.013 -28.611 1.00 60.42 C ATOM 884 CD2 LEU A 79 -16.878 -9.270 -30.056 1.00 41.24 C ATOM 0 H LEU A 79 -16.879 -6.563 -27.334 1.00 73.35 H new ATOM 0 HA LEU A 79 -17.523 -9.344 -27.333 1.00 55.21 H new ATOM 0 HB2 LEU A 79 -15.568 -7.587 -28.417 1.00 72.34 H new ATOM 0 HB3 LEU A 79 -14.690 -8.760 -27.456 1.00 72.34 H new ATOM 0 HG LEU A 79 -14.785 -9.522 -29.732 1.00 11.54 H new ATOM 0 HD11 LEU A 79 -15.872 -11.714 -29.444 1.00 60.42 H new ATOM 0 HD12 LEU A 79 -14.942 -11.243 -28.002 1.00 60.42 H new ATOM 0 HD13 LEU A 79 -16.716 -11.101 -28.002 1.00 60.42 H new ATOM 0 HD21 LEU A 79 -16.920 -9.994 -30.870 1.00 41.24 H new ATOM 0 HD22 LEU A 79 -17.804 -9.314 -29.483 1.00 41.24 H new ATOM 0 HD23 LEU A 79 -16.754 -8.268 -30.468 1.00 41.24 H new ATOM 896 N ALA A 80 -16.216 -10.400 -25.428 1.00 55.54 N ATOM 897 CA ALA A 80 -15.742 -10.965 -24.172 1.00 23.23 C ATOM 898 C ALA A 80 -14.227 -10.841 -24.052 1.00 24.54 C ATOM 899 O ALA A 80 -13.692 -10.657 -22.957 1.00 75.04 O ATOM 900 CB ALA A 80 -16.165 -12.422 -24.055 1.00 71.04 C ATOM 0 H ALA A 80 -16.502 -11.092 -26.120 1.00 55.54 H new ATOM 0 HA ALA A 80 -16.193 -10.401 -23.355 1.00 23.23 H new ATOM 0 HB1 ALA A 80 -15.804 -12.831 -23.111 1.00 71.04 H new ATOM 0 HB2 ALA A 80 -17.252 -12.489 -24.087 1.00 71.04 H new ATOM 0 HB3 ALA A 80 -15.742 -12.991 -24.883 1.00 71.04 H new ATOM 906 N THR A 81 -13.537 -10.945 -25.184 1.00 13.22 N ATOM 907 CA THR A 81 -12.083 -10.846 -25.205 1.00 74.42 C ATOM 908 C THR A 81 -11.633 -9.406 -25.419 1.00 1.11 C ATOM 909 O THR A 81 -11.990 -8.773 -26.413 1.00 70.23 O ATOM 910 CB THR A 81 -11.477 -11.731 -26.310 1.00 64.42 C ATOM 911 OG1 THR A 81 -12.051 -13.042 -26.259 1.00 72.00 O ATOM 912 CG2 THR A 81 -9.966 -11.828 -26.158 1.00 31.13 C ATOM 0 H THR A 81 -13.962 -11.098 -26.098 1.00 13.22 H new ATOM 0 HA THR A 81 -11.728 -11.194 -24.235 1.00 74.42 H new ATOM 0 HB THR A 81 -11.701 -11.274 -27.274 1.00 64.42 H new ATOM 0 HG1 THR A 81 -11.661 -13.597 -26.966 1.00 72.00 H new ATOM 0 HG21 THR A 81 -9.560 -12.458 -26.950 1.00 31.13 H new ATOM 0 HG22 THR A 81 -9.529 -10.832 -26.227 1.00 31.13 H new ATOM 0 HG23 THR A 81 -9.725 -12.264 -25.188 1.00 31.13 H new ATOM 920 N THR A 82 -10.845 -8.891 -24.480 1.00 32.34 N ATOM 921 CA THR A 82 -10.346 -7.525 -24.565 1.00 40.20 C ATOM 922 C THR A 82 -8.868 -7.502 -24.939 1.00 14.41 C ATOM 923 O THR A 82 -8.083 -8.351 -24.517 1.00 51.03 O ATOM 924 CB THR A 82 -10.539 -6.772 -23.235 1.00 52.12 C ATOM 925 OG1 THR A 82 -11.045 -7.664 -22.236 1.00 74.21 O ATOM 926 CG2 THR A 82 -11.496 -5.602 -23.410 1.00 32.34 C ATOM 0 H THR A 82 -10.539 -9.401 -23.651 1.00 32.34 H new ATOM 0 HA THR A 82 -10.923 -7.026 -25.343 1.00 40.20 H new ATOM 0 HB THR A 82 -9.571 -6.385 -22.918 1.00 52.12 H new ATOM 0 HG1 THR A 82 -11.794 -7.240 -21.768 1.00 74.21 H new ATOM 0 HG21 THR A 82 -11.617 -5.085 -22.458 1.00 32.34 H new ATOM 0 HG22 THR A 82 -11.093 -4.910 -24.150 1.00 32.34 H new ATOM 0 HG23 THR A 82 -12.464 -5.971 -23.748 1.00 32.34 H new ATOM 934 N PRO A 83 -8.478 -6.506 -25.749 1.00 23.41 N ATOM 935 CA PRO A 83 -7.091 -6.348 -26.196 1.00 63.24 C ATOM 936 C PRO A 83 -6.161 -5.923 -25.065 1.00 33.44 C ATOM 937 O PRO A 83 -4.954 -6.156 -25.118 1.00 65.23 O ATOM 938 CB PRO A 83 -7.183 -5.246 -27.255 1.00 21.13 C ATOM 939 CG PRO A 83 -8.399 -4.468 -26.886 1.00 44.21 C ATOM 940 CD PRO A 83 -9.360 -5.459 -26.290 1.00 3.31 C ATOM 0 HA PRO A 83 -6.675 -7.284 -26.569 1.00 63.24 H new ATOM 0 HB2 PRO A 83 -6.293 -4.616 -27.250 1.00 21.13 H new ATOM 0 HB3 PRO A 83 -7.270 -5.666 -28.257 1.00 21.13 H new ATOM 0 HG2 PRO A 83 -8.157 -3.681 -26.172 1.00 44.21 H new ATOM 0 HG3 PRO A 83 -8.832 -3.982 -27.761 1.00 44.21 H new ATOM 0 HD2 PRO A 83 -9.972 -5.006 -25.510 1.00 3.31 H new ATOM 0 HD3 PRO A 83 -10.043 -5.857 -27.040 1.00 3.31 H new ATOM 948 N LYS A 84 -6.732 -5.299 -24.040 1.00 23.34 N ATOM 949 CA LYS A 84 -5.955 -4.843 -22.893 1.00 13.11 C ATOM 950 C LYS A 84 -6.210 -5.727 -21.676 1.00 74.25 C ATOM 951 O LYS A 84 -5.898 -5.351 -20.547 1.00 42.40 O ATOM 952 CB LYS A 84 -6.302 -3.390 -22.562 1.00 11.41 C ATOM 953 CG LYS A 84 -7.782 -3.161 -22.306 1.00 4.53 C ATOM 954 CD LYS A 84 -8.480 -2.599 -23.533 1.00 63.21 C ATOM 955 CE LYS A 84 -9.783 -1.907 -23.165 1.00 51.02 C ATOM 956 NZ LYS A 84 -10.795 -2.015 -24.253 1.00 22.45 N1+ ATOM 0 H LYS A 84 -7.730 -5.097 -23.980 1.00 23.34 H new ATOM 0 HA LYS A 84 -4.898 -4.909 -23.153 1.00 13.11 H new ATOM 0 HB2 LYS A 84 -5.738 -3.082 -21.682 1.00 11.41 H new ATOM 0 HB3 LYS A 84 -5.981 -2.752 -23.386 1.00 11.41 H new ATOM 0 HG2 LYS A 84 -8.252 -4.101 -22.018 1.00 4.53 H new ATOM 0 HG3 LYS A 84 -7.905 -2.473 -21.469 1.00 4.53 H new ATOM 0 HD2 LYS A 84 -7.821 -1.892 -24.036 1.00 63.21 H new ATOM 0 HD3 LYS A 84 -8.681 -3.404 -24.239 1.00 63.21 H new ATOM 0 HE2 LYS A 84 -10.183 -2.348 -22.252 1.00 51.02 H new ATOM 0 HE3 LYS A 84 -9.589 -0.856 -22.953 1.00 51.02 H new ATOM 0 HZ1 LYS A 84 -11.750 -2.016 -23.840 1.00 22.45 H new ATOM 0 HZ2 LYS A 84 -10.698 -1.206 -24.899 1.00 22.45 H new ATOM 0 HZ3 LYS A 84 -10.645 -2.899 -24.781 1.00 22.45 H new ATOM 970 N SER A 85 -6.779 -6.905 -21.915 1.00 45.13 N ATOM 971 CA SER A 85 -7.077 -7.842 -20.839 1.00 14.25 C ATOM 972 C SER A 85 -6.343 -9.162 -21.048 1.00 63.40 C ATOM 973 O SER A 85 -6.362 -9.732 -22.140 1.00 40.50 O ATOM 974 CB SER A 85 -8.584 -8.091 -20.755 1.00 35.33 C ATOM 975 OG SER A 85 -9.282 -6.899 -20.439 1.00 0.13 O ATOM 0 H SER A 85 -7.043 -7.232 -22.844 1.00 45.13 H new ATOM 0 HA SER A 85 -6.735 -7.402 -19.902 1.00 14.25 H new ATOM 0 HB2 SER A 85 -8.944 -8.486 -21.705 1.00 35.33 H new ATOM 0 HB3 SER A 85 -8.789 -8.848 -19.998 1.00 35.33 H new ATOM 0 HG SER A 85 -10.207 -6.969 -20.754 1.00 0.13 H new ATOM 981 N THR A 86 -5.694 -9.646 -19.993 1.00 13.43 N ATOM 982 CA THR A 86 -4.952 -10.898 -20.059 1.00 42.15 C ATOM 983 C THR A 86 -5.708 -12.023 -19.362 1.00 23.00 C ATOM 984 O THR A 86 -5.559 -13.195 -19.711 1.00 11.15 O ATOM 985 CB THR A 86 -3.557 -10.759 -19.421 1.00 10.22 C ATOM 986 OG1 THR A 86 -3.052 -9.436 -19.631 1.00 44.33 O ATOM 987 CG2 THR A 86 -2.590 -11.776 -20.007 1.00 5.10 C ATOM 0 H THR A 86 -5.668 -9.188 -19.082 1.00 13.43 H new ATOM 0 HA THR A 86 -4.837 -11.142 -21.115 1.00 42.15 H new ATOM 0 HB THR A 86 -3.651 -10.946 -18.351 1.00 10.22 H new ATOM 0 HG1 THR A 86 -2.166 -9.355 -19.221 1.00 44.33 H new ATOM 0 HG21 THR A 86 -1.612 -11.658 -19.541 1.00 5.10 H new ATOM 0 HG22 THR A 86 -2.963 -12.783 -19.819 1.00 5.10 H new ATOM 0 HG23 THR A 86 -2.501 -11.617 -21.082 1.00 5.10 H new ATOM 995 N THR A 87 -6.520 -11.660 -18.374 1.00 74.53 N ATOM 996 CA THR A 87 -7.300 -12.640 -17.627 1.00 44.32 C ATOM 997 C THR A 87 -8.656 -12.878 -18.282 1.00 24.15 C ATOM 998 O THR A 87 -9.326 -11.937 -18.706 1.00 54.33 O ATOM 999 CB THR A 87 -7.517 -12.191 -16.170 1.00 13.31 C ATOM 1000 OG1 THR A 87 -8.099 -10.882 -16.142 1.00 24.40 O ATOM 1001 CG2 THR A 87 -6.203 -12.184 -15.404 1.00 11.22 C ATOM 0 H THR A 87 -6.655 -10.695 -18.072 1.00 74.53 H new ATOM 0 HA THR A 87 -6.730 -13.569 -17.632 1.00 44.32 H new ATOM 0 HB THR A 87 -8.194 -12.899 -15.692 1.00 13.31 H new ATOM 0 HG1 THR A 87 -8.235 -10.604 -15.212 1.00 24.40 H new ATOM 0 HG21 THR A 87 -6.382 -11.864 -14.378 1.00 11.22 H new ATOM 0 HG22 THR A 87 -5.778 -13.188 -15.402 1.00 11.22 H new ATOM 0 HG23 THR A 87 -5.506 -11.496 -15.883 1.00 11.22 H new ATOM 1009 N THR A 88 -9.056 -14.144 -18.360 1.00 4.43 N ATOM 1010 CA THR A 88 -10.332 -14.506 -18.963 1.00 1.12 C ATOM 1011 C THR A 88 -11.407 -14.700 -17.900 1.00 10.13 C ATOM 1012 O THR A 88 -12.496 -14.132 -17.992 1.00 63.01 O ATOM 1013 CB THR A 88 -10.213 -15.795 -19.798 1.00 11.13 C ATOM 1014 OG1 THR A 88 -11.452 -16.063 -20.464 1.00 43.34 O ATOM 1015 CG2 THR A 88 -9.839 -16.978 -18.917 1.00 13.51 C ATOM 0 H THR A 88 -8.514 -14.935 -18.013 1.00 4.43 H new ATOM 0 HA THR A 88 -10.617 -13.683 -19.618 1.00 1.12 H new ATOM 0 HB THR A 88 -9.426 -15.651 -20.539 1.00 11.13 H new ATOM 0 HG1 THR A 88 -11.368 -16.883 -20.994 1.00 43.34 H new ATOM 0 HG21 THR A 88 -9.761 -17.877 -19.529 1.00 13.51 H new ATOM 0 HG22 THR A 88 -8.882 -16.783 -18.434 1.00 13.51 H new ATOM 0 HG23 THR A 88 -10.606 -17.122 -18.157 1.00 13.51 H new TER 1023 THR A 88