USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 623 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 44 HIS : no HD1:sc= 0.795 K(o=1.6,f=-6.7!) USER MOD Set 1.2: A 54 GLN : amide:sc= 0.83 K(o=1.6,f=-3.8) USER MOD Single : A 7 GLN : amide:sc= 0.974 K(o=0.97,f=-2.3!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 59:sc= 1.26 USER MOD Single : A 13 ASN : amide:sc= -1.52 K(o=-1.5,f=-5!) USER MOD Single : A 17 SER OG : rot -160:sc= -0.743 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.23 K(o=0.23,f=-1.1) USER MOD Single : A 45 SER OG : rot -161:sc= 0.284 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 141:sc= -0.43 (180deg=-2.78!) USER MOD Single : A 56 HIS : no HE2:sc= -1.72! C(o=-1.7!,f=-3.9!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.148 F(o=-0.84,f=-0.15) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0.949 K(o=0.95,f=-6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0.662 K(o=0.66,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -8.261 -4.135 -5.348 1.00 2.01 N ATOM 58 CA GLU A 5 -9.253 -3.068 -5.463 1.00 1.95 C ATOM 59 C GLU A 5 -9.662 -2.879 -6.918 1.00 2.02 C ATOM 60 O GLU A 5 -8.849 -2.496 -7.760 1.00 2.45 O ATOM 61 CB GLU A 5 -8.719 -1.745 -4.904 1.00 2.25 C ATOM 62 CG GLU A 5 -9.617 -1.145 -3.835 1.00 2.50 C ATOM 63 CD GLU A 5 -9.389 0.337 -3.638 1.00 3.01 C ATOM 64 OE1 GLU A 5 -8.466 0.705 -2.885 1.00 3.47 O ATOM 65 OE2 GLU A 5 -10.122 1.142 -4.249 1.00 3.44 O ATOM 0 HA GLU A 5 -10.123 -3.363 -4.876 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -7.726 -1.908 -4.486 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -8.608 -1.031 -5.720 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -10.659 -1.314 -4.106 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -9.445 -1.662 -2.891 1.00 2.50 H new ATOM 72 N ALA A 6 -10.921 -3.155 -7.211 1.00 1.93 N ATOM 73 CA ALA A 6 -11.440 -3.000 -8.557 1.00 2.21 C ATOM 74 C ALA A 6 -12.274 -1.728 -8.665 1.00 1.87 C ATOM 75 O ALA A 6 -13.485 -1.747 -8.454 1.00 2.34 O ATOM 76 CB ALA A 6 -12.262 -4.217 -8.961 1.00 3.01 C ATOM 0 H ALA A 6 -11.604 -3.489 -6.531 1.00 1.93 H new ATOM 0 HA ALA A 6 -10.596 -2.917 -9.242 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -12.642 -4.080 -9.974 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -11.635 -5.108 -8.926 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -13.099 -4.336 -8.273 1.00 3.01 H new ATOM 82 N GLN A 7 -11.610 -0.622 -8.984 1.00 1.57 N ATOM 83 CA GLN A 7 -12.285 0.662 -9.159 1.00 1.65 C ATOM 84 C GLN A 7 -13.028 0.692 -10.493 1.00 1.53 C ATOM 85 O GLN A 7 -12.622 1.374 -11.432 1.00 1.80 O ATOM 86 CB GLN A 7 -11.272 1.808 -9.088 1.00 2.14 C ATOM 87 CG GLN A 7 -10.601 1.936 -7.730 1.00 2.64 C ATOM 88 CD GLN A 7 -10.953 3.231 -7.024 1.00 3.04 C ATOM 89 OE1 GLN A 7 -11.401 4.191 -7.647 1.00 3.51 O ATOM 90 NE2 GLN A 7 -10.769 3.267 -5.714 1.00 3.49 N ATOM 0 H GLN A 7 -10.601 -0.588 -9.127 1.00 1.57 H new ATOM 0 HA GLN A 7 -13.010 0.788 -8.354 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -10.508 1.655 -9.850 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -11.776 2.745 -9.326 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -10.894 1.094 -7.103 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -9.520 1.878 -7.856 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -10.395 2.451 -5.229 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -11.001 4.110 -5.189 1.00 3.49 H new ATOM 99 N TYR A 8 -14.110 -0.065 -10.561 1.00 1.48 N ATOM 100 CA TYR A 8 -14.872 -0.227 -11.787 1.00 1.47 C ATOM 101 C TYR A 8 -16.257 -0.781 -11.451 1.00 1.56 C ATOM 102 O TYR A 8 -16.932 -1.379 -12.285 1.00 2.27 O ATOM 103 CB TYR A 8 -14.100 -1.174 -12.721 1.00 1.61 C ATOM 104 CG TYR A 8 -14.740 -1.441 -14.071 1.00 1.62 C ATOM 105 CD1 TYR A 8 -14.582 -0.561 -15.130 1.00 1.71 C ATOM 106 CD2 TYR A 8 -15.482 -2.598 -14.284 1.00 1.79 C ATOM 107 CE1 TYR A 8 -15.143 -0.825 -16.367 1.00 1.89 C ATOM 108 CE2 TYR A 8 -16.053 -2.866 -15.512 1.00 2.00 C ATOM 109 CZ TYR A 8 -15.879 -1.979 -16.553 1.00 2.01 C ATOM 110 OH TYR A 8 -16.438 -2.249 -17.782 1.00 2.32 O ATOM 0 H TYR A 8 -14.485 -0.585 -9.767 1.00 1.48 H new ATOM 0 HA TYR A 8 -15.005 0.730 -12.291 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -13.106 -0.758 -12.888 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -13.965 -2.127 -12.210 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -14.012 0.345 -14.987 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -15.614 -3.300 -13.474 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -15.006 -0.132 -17.184 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -16.633 -3.766 -15.656 1.00 2.00 H new ATOM 0 HH TYR A 8 -16.922 -3.100 -17.741 1.00 2.32 H new ATOM 120 N VAL A 9 -16.696 -0.565 -10.222 1.00 1.35 N ATOM 121 CA VAL A 9 -17.937 -1.163 -9.747 1.00 1.47 C ATOM 122 C VAL A 9 -19.164 -0.432 -10.306 1.00 1.51 C ATOM 123 O VAL A 9 -19.927 0.210 -9.580 1.00 2.13 O ATOM 124 CB VAL A 9 -17.987 -1.200 -8.208 1.00 1.74 C ATOM 125 CG1 VAL A 9 -19.183 -2.004 -7.711 1.00 2.00 C ATOM 126 CG2 VAL A 9 -16.696 -1.775 -7.645 1.00 2.05 C ATOM 0 H VAL A 9 -16.215 0.017 -9.536 1.00 1.35 H new ATOM 0 HA VAL A 9 -17.960 -2.189 -10.114 1.00 1.47 H new ATOM 0 HB VAL A 9 -18.099 -0.175 -7.855 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -19.189 -2.011 -6.621 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -20.104 -1.550 -8.076 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -19.112 -3.027 -8.080 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -16.750 -1.793 -6.556 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -16.556 -2.789 -8.018 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -15.855 -1.155 -7.956 1.00 2.05 H new ATOM 136 N ALA A 10 -19.320 -0.531 -11.614 1.00 1.41 N ATOM 137 CA ALA A 10 -20.496 -0.044 -12.313 1.00 1.50 C ATOM 138 C ALA A 10 -20.877 -1.059 -13.388 1.00 1.34 C ATOM 139 O ALA A 10 -20.707 -0.809 -14.583 1.00 1.73 O ATOM 140 CB ALA A 10 -20.226 1.323 -12.925 1.00 2.09 C ATOM 0 H ALA A 10 -18.626 -0.957 -12.228 1.00 1.41 H new ATOM 0 HA ALA A 10 -21.323 0.070 -11.612 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -21.118 1.672 -13.445 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -19.966 2.029 -12.137 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -19.400 1.248 -13.633 1.00 2.09 H new ATOM 146 N PRO A 11 -21.379 -2.228 -12.958 1.00 1.24 N ATOM 147 CA PRO A 11 -21.626 -3.382 -13.837 1.00 1.52 C ATOM 148 C PRO A 11 -22.631 -3.105 -14.946 1.00 1.50 C ATOM 149 O PRO A 11 -23.588 -2.345 -14.773 1.00 1.83 O ATOM 150 CB PRO A 11 -22.178 -4.448 -12.887 1.00 1.87 C ATOM 151 CG PRO A 11 -21.734 -4.020 -11.535 1.00 1.88 C ATOM 152 CD PRO A 11 -21.755 -2.524 -11.567 1.00 1.45 C ATOM 0 HA PRO A 11 -20.714 -3.670 -14.360 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -23.265 -4.506 -12.946 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -21.792 -5.437 -13.135 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -22.399 -4.406 -10.762 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -20.735 -4.395 -11.312 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -22.740 -2.127 -11.320 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -21.050 -2.093 -10.856 1.00 1.45 H new ATOM 160 N THR A 12 -22.405 -3.745 -16.080 1.00 1.33 N ATOM 161 CA THR A 12 -23.267 -3.608 -17.238 1.00 1.44 C ATOM 162 C THR A 12 -24.506 -4.486 -17.091 1.00 1.40 C ATOM 163 O THR A 12 -25.567 -4.191 -17.643 1.00 1.90 O ATOM 164 CB THR A 12 -22.515 -4.010 -18.516 1.00 1.69 C ATOM 165 OG1 THR A 12 -21.339 -4.762 -18.169 1.00 1.79 O ATOM 166 CG2 THR A 12 -22.119 -2.782 -19.320 1.00 2.04 C ATOM 0 H THR A 12 -21.616 -4.376 -16.223 1.00 1.33 H new ATOM 0 HA THR A 12 -23.572 -2.564 -17.309 1.00 1.44 H new ATOM 0 HB THR A 12 -23.176 -4.624 -19.127 1.00 1.69 H new ATOM 0 HG1 THR A 12 -21.598 -5.556 -17.657 1.00 1.79 H new ATOM 0 HG21 THR A 12 -21.588 -3.092 -20.220 1.00 2.04 H new ATOM 0 HG22 THR A 12 -23.014 -2.226 -19.600 1.00 2.04 H new ATOM 0 HG23 THR A 12 -21.471 -2.146 -18.717 1.00 2.04 H new ATOM 174 N ASN A 13 -24.354 -5.576 -16.352 1.00 1.11 N ATOM 175 CA ASN A 13 -25.453 -6.489 -16.090 1.00 1.23 C ATOM 176 C ASN A 13 -25.643 -6.655 -14.590 1.00 1.03 C ATOM 177 O ASN A 13 -24.671 -6.622 -13.832 1.00 1.32 O ATOM 178 CB ASN A 13 -25.182 -7.849 -16.740 1.00 1.71 C ATOM 179 CG ASN A 13 -26.455 -8.565 -17.140 1.00 1.80 C ATOM 180 OD1 ASN A 13 -27.413 -8.639 -16.370 1.00 2.19 O ATOM 181 ND2 ASN A 13 -26.474 -9.091 -18.351 1.00 2.24 N ATOM 0 H ASN A 13 -23.471 -5.849 -15.921 1.00 1.11 H new ATOM 0 HA ASN A 13 -26.364 -6.074 -16.520 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -24.556 -7.709 -17.621 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -24.620 -8.474 -16.046 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -27.305 -9.582 -18.681 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -25.658 -9.006 -18.957 1.00 2.24 H new ATOM 188 N ALA A 14 -26.889 -6.848 -14.171 1.00 1.04 N ATOM 189 CA ALA A 14 -27.220 -6.982 -12.754 1.00 1.05 C ATOM 190 C ALA A 14 -26.568 -8.221 -12.144 1.00 0.96 C ATOM 191 O ALA A 14 -26.387 -8.307 -10.926 1.00 0.91 O ATOM 192 CB ALA A 14 -28.729 -7.031 -12.575 1.00 1.42 C ATOM 0 H ALA A 14 -27.692 -6.916 -14.796 1.00 1.04 H new ATOM 0 HA ALA A 14 -26.827 -6.111 -12.230 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -28.967 -7.131 -11.516 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -29.171 -6.113 -12.961 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -29.132 -7.885 -13.120 1.00 1.42 H new ATOM 198 N VAL A 15 -26.217 -9.177 -12.994 1.00 1.05 N ATOM 199 CA VAL A 15 -25.529 -10.381 -12.547 1.00 1.12 C ATOM 200 C VAL A 15 -24.132 -10.041 -12.037 1.00 0.97 C ATOM 201 O VAL A 15 -23.667 -10.607 -11.050 1.00 0.96 O ATOM 202 CB VAL A 15 -25.406 -11.431 -13.672 1.00 1.38 C ATOM 203 CG1 VAL A 15 -25.124 -12.810 -13.090 1.00 1.45 C ATOM 204 CG2 VAL A 15 -26.662 -11.457 -14.529 1.00 1.99 C ATOM 0 H VAL A 15 -26.397 -9.142 -13.997 1.00 1.05 H new ATOM 0 HA VAL A 15 -26.130 -10.805 -11.742 1.00 1.12 H new ATOM 0 HB VAL A 15 -24.568 -11.149 -14.309 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -25.041 -13.536 -13.899 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -24.190 -12.784 -12.528 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -25.939 -13.098 -12.426 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -26.551 -12.204 -15.315 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -27.521 -11.709 -13.907 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -26.815 -10.477 -14.980 1.00 1.99 H new ATOM 214 N GLU A 16 -23.480 -9.095 -12.705 1.00 0.95 N ATOM 215 CA GLU A 16 -22.128 -8.690 -12.341 1.00 0.94 C ATOM 216 C GLU A 16 -22.143 -7.923 -11.023 1.00 0.83 C ATOM 217 O GLU A 16 -21.219 -8.034 -10.217 1.00 0.86 O ATOM 218 CB GLU A 16 -21.510 -7.829 -13.450 1.00 1.06 C ATOM 219 CG GLU A 16 -21.586 -8.464 -14.834 1.00 1.37 C ATOM 220 CD GLU A 16 -21.122 -7.532 -15.940 1.00 1.45 C ATOM 221 OE1 GLU A 16 -21.725 -6.451 -16.105 1.00 1.53 O ATOM 222 OE2 GLU A 16 -20.142 -7.865 -16.637 1.00 1.93 O ATOM 0 H GLU A 16 -23.868 -8.593 -13.504 1.00 0.95 H new ATOM 0 HA GLU A 16 -21.519 -9.586 -12.218 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -22.017 -6.865 -13.474 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -20.466 -7.634 -13.207 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -20.976 -9.367 -14.847 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -22.613 -8.770 -15.031 1.00 1.37 H new ATOM 229 N SER A 17 -23.204 -7.153 -10.804 1.00 0.83 N ATOM 230 CA SER A 17 -23.374 -6.407 -9.564 1.00 0.89 C ATOM 231 C SER A 17 -23.581 -7.360 -8.386 1.00 0.85 C ATOM 232 O SER A 17 -23.123 -7.101 -7.268 1.00 0.88 O ATOM 233 CB SER A 17 -24.562 -5.454 -9.702 1.00 1.09 C ATOM 234 OG SER A 17 -25.039 -5.447 -11.038 1.00 1.48 O ATOM 0 H SER A 17 -23.963 -7.030 -11.474 1.00 0.83 H new ATOM 0 HA SER A 17 -22.472 -5.827 -9.370 1.00 0.89 H new ATOM 0 HB2 SER A 17 -25.361 -5.758 -9.026 1.00 1.09 H new ATOM 0 HB3 SER A 17 -24.264 -4.447 -9.410 1.00 1.09 H new ATOM 0 HG SER A 17 -25.564 -4.634 -11.194 1.00 1.48 H new ATOM 240 N LYS A 18 -24.267 -8.466 -8.652 1.00 0.85 N ATOM 241 CA LYS A 18 -24.503 -9.485 -7.639 1.00 0.92 C ATOM 242 C LYS A 18 -23.218 -10.254 -7.350 1.00 0.84 C ATOM 243 O LYS A 18 -22.883 -10.508 -6.193 1.00 0.85 O ATOM 244 CB LYS A 18 -25.604 -10.447 -8.099 1.00 1.07 C ATOM 245 CG LYS A 18 -26.445 -11.000 -6.958 1.00 1.38 C ATOM 246 CD LYS A 18 -27.160 -9.893 -6.195 1.00 1.76 C ATOM 247 CE LYS A 18 -27.897 -10.440 -4.983 1.00 2.42 C ATOM 248 NZ LYS A 18 -29.350 -10.601 -5.247 1.00 2.96 N ATOM 0 H LYS A 18 -24.670 -8.679 -9.564 1.00 0.85 H new ATOM 0 HA LYS A 18 -24.829 -8.994 -6.722 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -26.256 -9.930 -8.803 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -25.148 -11.277 -8.638 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -27.179 -11.701 -7.354 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -25.807 -11.559 -6.274 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -26.436 -9.144 -5.875 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -27.866 -9.391 -6.856 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -27.470 -11.403 -4.702 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -27.754 -9.768 -4.137 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -29.818 -10.976 -4.397 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -29.763 -9.678 -5.491 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -29.488 -11.262 -6.038 1.00 2.96 H new ATOM 262 N LEU A 19 -22.507 -10.605 -8.416 1.00 0.82 N ATOM 263 CA LEU A 19 -21.236 -11.314 -8.309 1.00 0.84 C ATOM 264 C LEU A 19 -20.263 -10.539 -7.434 1.00 0.80 C ATOM 265 O LEU A 19 -19.634 -11.103 -6.533 1.00 0.82 O ATOM 266 CB LEU A 19 -20.631 -11.512 -9.700 1.00 0.96 C ATOM 267 CG LEU A 19 -20.342 -12.962 -10.092 1.00 1.16 C ATOM 268 CD1 LEU A 19 -21.198 -13.373 -11.278 1.00 1.73 C ATOM 269 CD2 LEU A 19 -18.864 -13.139 -10.415 1.00 1.81 C ATOM 0 H LEU A 19 -22.793 -10.407 -9.375 1.00 0.82 H new ATOM 0 HA LEU A 19 -21.420 -12.286 -7.852 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -21.310 -11.083 -10.437 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -19.701 -10.946 -9.756 1.00 0.96 H new ATOM 0 HG LEU A 19 -20.592 -13.605 -9.248 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -20.979 -14.407 -11.543 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -22.252 -13.281 -11.015 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -20.978 -12.726 -12.127 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -18.674 -14.176 -10.692 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -18.592 -12.486 -11.244 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -18.267 -12.882 -9.540 1.00 1.81 H new ATOM 281 N ALA A 20 -20.160 -9.243 -7.703 1.00 0.82 N ATOM 282 CA ALA A 20 -19.263 -8.368 -6.965 1.00 0.91 C ATOM 283 C ALA A 20 -19.575 -8.387 -5.474 1.00 0.84 C ATOM 284 O ALA A 20 -18.708 -8.685 -4.664 1.00 0.87 O ATOM 285 CB ALA A 20 -19.349 -6.948 -7.501 1.00 1.08 C ATOM 0 H ALA A 20 -20.693 -8.773 -8.435 1.00 0.82 H new ATOM 0 HA ALA A 20 -18.247 -8.738 -7.102 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -18.672 -6.305 -6.938 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -19.067 -6.939 -8.554 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -20.370 -6.580 -7.395 1.00 1.08 H new ATOM 291 N GLU A 21 -20.826 -8.096 -5.124 1.00 0.85 N ATOM 292 CA GLU A 21 -21.231 -7.997 -3.720 1.00 0.94 C ATOM 293 C GLU A 21 -20.953 -9.288 -2.958 1.00 0.84 C ATOM 294 O GLU A 21 -20.462 -9.258 -1.827 1.00 0.85 O ATOM 295 CB GLU A 21 -22.715 -7.649 -3.615 1.00 1.13 C ATOM 296 CG GLU A 21 -23.033 -6.704 -2.469 1.00 1.72 C ATOM 297 CD GLU A 21 -24.462 -6.837 -1.987 1.00 2.05 C ATOM 298 OE1 GLU A 21 -25.392 -6.703 -2.809 1.00 2.69 O ATOM 299 OE2 GLU A 21 -24.665 -7.076 -0.779 1.00 2.14 O ATOM 0 H GLU A 21 -21.578 -7.924 -5.792 1.00 0.85 H new ATOM 0 HA GLU A 21 -20.638 -7.202 -3.268 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -23.042 -7.196 -4.551 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -23.288 -8.568 -3.488 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -22.354 -6.902 -1.640 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -22.855 -5.677 -2.789 1.00 1.72 H new ATOM 306 N ILE A 22 -21.260 -10.417 -3.585 1.00 0.83 N ATOM 307 CA ILE A 22 -21.097 -11.716 -2.944 1.00 0.91 C ATOM 308 C ILE A 22 -19.621 -12.061 -2.759 1.00 0.82 C ATOM 309 O ILE A 22 -19.168 -12.314 -1.640 1.00 0.86 O ATOM 310 CB ILE A 22 -21.796 -12.835 -3.755 1.00 1.09 C ATOM 311 CG1 ILE A 22 -23.316 -12.666 -3.693 1.00 1.25 C ATOM 312 CG2 ILE A 22 -21.400 -14.215 -3.242 1.00 1.40 C ATOM 313 CD1 ILE A 22 -24.052 -13.350 -4.826 1.00 1.91 C ATOM 0 H ILE A 22 -21.623 -10.459 -4.537 1.00 0.83 H new ATOM 0 HA ILE A 22 -21.567 -11.649 -1.963 1.00 0.91 H new ATOM 0 HB ILE A 22 -21.471 -12.752 -4.792 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -23.678 -13.063 -2.745 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -23.555 -11.603 -3.706 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -21.906 -14.981 -3.830 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -20.321 -14.341 -3.333 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -21.689 -14.311 -2.196 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -25.124 -13.186 -4.715 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -23.719 -12.937 -5.778 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -23.844 -14.420 -4.802 1.00 1.91 H new ATOM 325 N TRP A 23 -18.868 -12.045 -3.851 1.00 0.79 N ATOM 326 CA TRP A 23 -17.469 -12.458 -3.820 1.00 0.84 C ATOM 327 C TRP A 23 -16.626 -11.511 -2.975 1.00 0.82 C ATOM 328 O TRP A 23 -15.691 -11.939 -2.290 1.00 0.94 O ATOM 329 CB TRP A 23 -16.903 -12.538 -5.238 1.00 0.90 C ATOM 330 CG TRP A 23 -17.053 -13.891 -5.860 1.00 0.98 C ATOM 331 CD1 TRP A 23 -17.598 -14.176 -7.079 1.00 1.26 C ATOM 332 CD2 TRP A 23 -16.646 -15.146 -5.298 1.00 0.95 C ATOM 333 NE1 TRP A 23 -17.566 -15.531 -7.305 1.00 1.33 N ATOM 334 CE2 TRP A 23 -16.982 -16.146 -6.229 1.00 1.14 C ATOM 335 CE3 TRP A 23 -16.030 -15.523 -4.098 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -16.724 -17.494 -6.000 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -15.774 -16.862 -3.874 1.00 1.16 C ATOM 338 CH2 TRP A 23 -16.119 -17.832 -4.821 1.00 1.24 C ATOM 0 H TRP A 23 -19.201 -11.751 -4.769 1.00 0.79 H new ATOM 0 HA TRP A 23 -17.428 -13.447 -3.363 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -17.405 -11.800 -5.864 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -15.846 -12.271 -5.216 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -17.996 -13.443 -7.765 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -17.919 -16.002 -8.138 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -15.760 -14.781 -3.361 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -16.992 -18.246 -6.727 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -15.300 -17.165 -2.952 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -15.903 -18.870 -4.617 1.00 1.24 H new ATOM 349 N GLU A 24 -16.962 -10.229 -3.021 1.00 0.80 N ATOM 350 CA GLU A 24 -16.236 -9.218 -2.269 1.00 0.93 C ATOM 351 C GLU A 24 -16.366 -9.457 -0.764 1.00 0.90 C ATOM 352 O GLU A 24 -15.370 -9.450 -0.045 1.00 1.04 O ATOM 353 CB GLU A 24 -16.734 -7.815 -2.652 1.00 1.20 C ATOM 354 CG GLU A 24 -16.762 -6.812 -1.509 1.00 1.75 C ATOM 355 CD GLU A 24 -15.386 -6.306 -1.132 1.00 2.29 C ATOM 356 OE1 GLU A 24 -14.394 -6.711 -1.776 1.00 2.65 O ATOM 357 OE2 GLU A 24 -15.290 -5.505 -0.181 1.00 2.78 O ATOM 0 H GLU A 24 -17.737 -9.864 -3.575 1.00 0.80 H new ATOM 0 HA GLU A 24 -15.178 -9.289 -2.523 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -16.097 -7.423 -3.445 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -17.739 -7.902 -3.065 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -17.389 -5.966 -1.790 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -17.224 -7.276 -0.637 1.00 1.75 H new ATOM 364 N ARG A 25 -17.582 -9.711 -0.292 1.00 0.97 N ATOM 365 CA ARG A 25 -17.812 -9.877 1.142 1.00 1.16 C ATOM 366 C ARG A 25 -17.292 -11.226 1.643 1.00 1.21 C ATOM 367 O ARG A 25 -17.300 -11.500 2.845 1.00 1.50 O ATOM 368 CB ARG A 25 -19.300 -9.713 1.478 1.00 1.41 C ATOM 369 CG ARG A 25 -20.166 -10.910 1.114 1.00 1.99 C ATOM 370 CD ARG A 25 -21.571 -10.802 1.707 1.00 2.67 C ATOM 371 NE ARG A 25 -21.830 -9.483 2.292 1.00 3.12 N ATOM 372 CZ ARG A 25 -22.645 -8.572 1.753 1.00 3.67 C ATOM 373 NH1 ARG A 25 -23.284 -8.831 0.622 1.00 3.90 N ATOM 374 NH2 ARG A 25 -22.810 -7.396 2.349 1.00 4.40 N ATOM 0 H ARG A 25 -18.416 -9.806 -0.872 1.00 0.97 H new ATOM 0 HA ARG A 25 -17.253 -9.095 1.656 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -19.399 -9.521 2.546 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -19.682 -8.834 0.959 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -20.236 -10.991 0.029 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -19.691 -11.823 1.472 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -22.307 -11.002 0.929 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -21.699 -11.568 2.472 1.00 2.67 H new ATOM 0 HE ARG A 25 -21.359 -9.246 3.165 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -23.155 -9.730 0.158 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -23.905 -8.131 0.215 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -22.315 -7.190 3.217 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -23.432 -6.699 1.939 1.00 4.40 H new ATOM 388 N VAL A 26 -16.830 -12.061 0.721 1.00 1.11 N ATOM 389 CA VAL A 26 -16.298 -13.367 1.073 1.00 1.34 C ATOM 390 C VAL A 26 -14.773 -13.396 0.957 1.00 1.36 C ATOM 391 O VAL A 26 -14.071 -13.617 1.946 1.00 1.78 O ATOM 392 CB VAL A 26 -16.907 -14.482 0.192 1.00 1.54 C ATOM 393 CG1 VAL A 26 -16.210 -15.813 0.433 1.00 2.01 C ATOM 394 CG2 VAL A 26 -18.400 -14.613 0.456 1.00 1.66 C ATOM 0 H VAL A 26 -16.814 -11.855 -0.278 1.00 1.11 H new ATOM 0 HA VAL A 26 -16.575 -13.552 2.111 1.00 1.34 H new ATOM 0 HB VAL A 26 -16.758 -14.205 -0.852 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -16.659 -16.579 -0.200 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -15.151 -15.718 0.192 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -16.320 -16.097 1.480 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -18.813 -15.402 -0.172 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -18.564 -14.861 1.505 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -18.894 -13.669 0.225 1.00 1.66 H new ATOM 404 N LEU A 27 -14.260 -13.147 -0.243 1.00 1.20 N ATOM 405 CA LEU A 27 -12.833 -13.322 -0.512 1.00 1.40 C ATOM 406 C LEU A 27 -12.094 -11.991 -0.641 1.00 1.42 C ATOM 407 O LEU A 27 -10.938 -11.879 -0.228 1.00 1.89 O ATOM 408 CB LEU A 27 -12.641 -14.141 -1.791 1.00 1.51 C ATOM 409 CG LEU A 27 -11.625 -15.276 -1.689 1.00 2.02 C ATOM 410 CD1 LEU A 27 -12.268 -16.601 -2.064 1.00 2.17 C ATOM 411 CD2 LEU A 27 -10.425 -14.995 -2.581 1.00 2.85 C ATOM 0 H LEU A 27 -14.806 -12.825 -1.042 1.00 1.20 H new ATOM 0 HA LEU A 27 -12.408 -13.850 0.341 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -13.604 -14.561 -2.082 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -12.332 -13.469 -2.591 1.00 1.51 H new ATOM 0 HG LEU A 27 -11.281 -15.341 -0.657 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -11.529 -17.399 -1.986 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -13.098 -16.807 -1.388 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -12.639 -16.549 -3.088 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -9.710 -15.813 -2.497 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -10.754 -14.905 -3.616 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -9.950 -14.065 -2.270 1.00 2.85 H new ATOM 423 N GLY A 28 -12.757 -10.992 -1.204 1.00 1.29 N ATOM 424 CA GLY A 28 -12.087 -9.738 -1.508 1.00 1.52 C ATOM 425 C GLY A 28 -11.877 -8.855 -0.294 1.00 1.37 C ATOM 426 O GLY A 28 -10.744 -8.677 0.161 1.00 1.73 O ATOM 0 H GLY A 28 -13.745 -11.024 -1.457 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -11.120 -9.953 -1.963 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -12.673 -9.192 -2.248 1.00 1.52 H new ATOM 430 N VAL A 29 -12.972 -8.311 0.229 1.00 1.31 N ATOM 431 CA VAL A 29 -12.932 -7.361 1.338 1.00 1.31 C ATOM 432 C VAL A 29 -12.050 -6.167 0.976 1.00 1.43 C ATOM 433 O VAL A 29 -11.089 -5.839 1.673 1.00 1.90 O ATOM 434 CB VAL A 29 -12.450 -8.014 2.657 1.00 1.49 C ATOM 435 CG1 VAL A 29 -12.880 -7.179 3.854 1.00 1.78 C ATOM 436 CG2 VAL A 29 -12.988 -9.434 2.786 1.00 1.92 C ATOM 0 H VAL A 29 -13.914 -8.516 -0.104 1.00 1.31 H new ATOM 0 HA VAL A 29 -13.952 -7.017 1.509 1.00 1.31 H new ATOM 0 HB VAL A 29 -11.361 -8.058 2.634 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -12.533 -7.653 4.772 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -12.449 -6.181 3.775 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -13.967 -7.104 3.873 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -12.637 -9.873 3.720 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -14.078 -9.412 2.783 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -12.635 -10.034 1.948 1.00 1.92 H new ATOM 446 N SER A 30 -12.379 -5.543 -0.150 1.00 1.40 N ATOM 447 CA SER A 30 -11.635 -4.396 -0.661 1.00 1.56 C ATOM 448 C SER A 30 -12.456 -3.648 -1.711 1.00 1.53 C ATOM 449 O SER A 30 -12.375 -2.421 -1.827 1.00 2.21 O ATOM 450 CB SER A 30 -10.307 -4.852 -1.274 1.00 1.76 C ATOM 451 OG SER A 30 -10.285 -6.256 -1.476 1.00 1.94 O ATOM 0 H SER A 30 -13.169 -5.818 -0.734 1.00 1.40 H new ATOM 0 HA SER A 30 -11.431 -3.724 0.173 1.00 1.56 H new ATOM 0 HB2 SER A 30 -10.150 -4.344 -2.225 1.00 1.76 H new ATOM 0 HB3 SER A 30 -9.484 -4.564 -0.619 1.00 1.76 H new ATOM 0 HG SER A 30 -9.426 -6.516 -1.869 1.00 1.94 H new ATOM 457 N GLY A 31 -13.258 -4.398 -2.455 1.00 1.30 N ATOM 458 CA GLY A 31 -14.024 -3.836 -3.548 1.00 1.27 C ATOM 459 C GLY A 31 -13.722 -4.547 -4.850 1.00 1.21 C ATOM 460 O GLY A 31 -13.151 -3.957 -5.767 1.00 1.58 O ATOM 0 H GLY A 31 -13.392 -5.400 -2.317 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -15.089 -3.913 -3.327 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -13.795 -2.775 -3.648 1.00 1.27 H new ATOM 464 N ILE A 32 -14.083 -5.824 -4.922 1.00 1.13 N ATOM 465 CA ILE A 32 -13.771 -6.650 -6.087 1.00 1.29 C ATOM 466 C ILE A 32 -15.005 -7.408 -6.581 1.00 1.38 C ATOM 467 O ILE A 32 -16.095 -7.255 -6.031 1.00 2.01 O ATOM 468 CB ILE A 32 -12.654 -7.672 -5.763 1.00 1.71 C ATOM 469 CG1 ILE A 32 -13.127 -8.672 -4.702 1.00 2.68 C ATOM 470 CG2 ILE A 32 -11.387 -6.965 -5.295 1.00 2.03 C ATOM 471 CD1 ILE A 32 -13.032 -10.120 -5.140 1.00 3.56 C ATOM 0 H ILE A 32 -14.593 -6.312 -4.186 1.00 1.13 H new ATOM 0 HA ILE A 32 -13.429 -5.973 -6.870 1.00 1.29 H new ATOM 0 HB ILE A 32 -12.424 -8.218 -6.678 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -12.533 -8.536 -3.798 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -14.161 -8.448 -4.441 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -10.618 -7.705 -5.074 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -11.032 -6.297 -6.080 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -11.604 -6.387 -4.396 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -13.384 -10.767 -4.337 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -13.648 -10.273 -6.026 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -11.995 -10.362 -5.373 1.00 3.56 H new ATOM 483 N GLY A 33 -14.824 -8.225 -7.619 1.00 1.59 N ATOM 484 CA GLY A 33 -15.903 -9.065 -8.104 1.00 1.93 C ATOM 485 C GLY A 33 -16.259 -8.805 -9.559 1.00 1.81 C ATOM 486 O GLY A 33 -17.418 -8.950 -9.944 1.00 2.28 O ATOM 0 H GLY A 33 -13.947 -8.318 -8.131 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -15.620 -10.111 -7.988 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -16.786 -8.903 -7.486 1.00 1.93 H new ATOM 490 N ILE A 34 -15.271 -8.425 -10.374 1.00 1.73 N ATOM 491 CA ILE A 34 -15.523 -8.124 -11.788 1.00 1.78 C ATOM 492 C ILE A 34 -14.258 -8.268 -12.639 1.00 1.93 C ATOM 493 O ILE A 34 -14.184 -9.127 -13.513 1.00 2.58 O ATOM 494 CB ILE A 34 -16.094 -6.697 -11.995 1.00 1.94 C ATOM 495 CG1 ILE A 34 -15.898 -5.828 -10.742 1.00 2.07 C ATOM 496 CG2 ILE A 34 -17.565 -6.767 -12.376 1.00 2.43 C ATOM 497 CD1 ILE A 34 -16.361 -4.399 -10.910 1.00 2.67 C ATOM 0 H ILE A 34 -14.299 -8.319 -10.084 1.00 1.73 H new ATOM 0 HA ILE A 34 -16.264 -8.855 -12.111 1.00 1.78 H new ATOM 0 HB ILE A 34 -15.543 -6.229 -12.811 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -16.439 -6.280 -9.910 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -14.842 -5.828 -10.473 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -17.952 -5.758 -12.518 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -17.675 -7.332 -13.302 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -18.124 -7.262 -11.581 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -16.190 -3.850 -9.984 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -15.803 -3.928 -11.719 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -17.425 -4.387 -11.148 1.00 2.67 H new ATOM 509 N LEU A 35 -13.271 -7.418 -12.387 1.00 1.70 N ATOM 510 CA LEU A 35 -12.050 -7.395 -13.192 1.00 1.89 C ATOM 511 C LEU A 35 -10.841 -7.127 -12.301 1.00 1.85 C ATOM 512 O LEU A 35 -9.851 -6.525 -12.711 1.00 2.19 O ATOM 513 CB LEU A 35 -12.167 -6.340 -14.310 1.00 2.03 C ATOM 514 CG LEU A 35 -11.839 -4.892 -13.917 1.00 1.96 C ATOM 515 CD1 LEU A 35 -11.815 -4.002 -15.150 1.00 2.44 C ATOM 516 CD2 LEU A 35 -12.838 -4.362 -12.898 1.00 2.46 C ATOM 0 H LEU A 35 -13.289 -6.733 -11.631 1.00 1.70 H new ATOM 0 HA LEU A 35 -11.914 -8.368 -13.664 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -11.505 -6.631 -15.126 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -13.184 -6.366 -14.700 1.00 2.03 H new ATOM 0 HG LEU A 35 -10.851 -4.881 -13.457 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -11.581 -2.979 -14.856 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -11.056 -4.362 -15.844 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -12.791 -4.026 -15.635 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -12.582 -3.335 -12.638 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -13.841 -4.389 -13.324 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -12.807 -4.982 -12.002 1.00 2.46 H new ATOM 528 N ASP A 36 -10.937 -7.627 -11.083 1.00 1.95 N ATOM 529 CA ASP A 36 -9.947 -7.387 -10.032 1.00 2.14 C ATOM 530 C ASP A 36 -8.621 -8.094 -10.306 1.00 1.49 C ATOM 531 O ASP A 36 -7.705 -8.034 -9.484 1.00 1.80 O ATOM 532 CB ASP A 36 -10.504 -7.867 -8.695 1.00 3.20 C ATOM 533 CG ASP A 36 -11.573 -8.918 -8.887 1.00 3.75 C ATOM 534 OD1 ASP A 36 -12.729 -8.545 -9.177 1.00 4.20 O ATOM 535 OD2 ASP A 36 -11.254 -10.115 -8.801 1.00 4.01 O ATOM 0 H ASP A 36 -11.712 -8.220 -10.785 1.00 1.95 H new ATOM 0 HA ASP A 36 -9.750 -6.315 -10.008 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -9.696 -8.275 -8.088 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -10.918 -7.021 -8.147 1.00 3.20 H new ATOM 540 N ASN A 37 -8.541 -8.781 -11.444 1.00 1.38 N ATOM 541 CA ASN A 37 -7.305 -9.418 -11.910 1.00 1.74 C ATOM 542 C ASN A 37 -6.968 -10.681 -11.115 1.00 1.40 C ATOM 543 O ASN A 37 -6.928 -11.769 -11.676 1.00 1.90 O ATOM 544 CB ASN A 37 -6.130 -8.431 -11.862 1.00 2.65 C ATOM 545 CG ASN A 37 -4.876 -8.973 -12.523 1.00 3.55 C ATOM 546 OD1 ASN A 37 -4.020 -9.568 -11.866 1.00 4.12 O ATOM 547 ND2 ASN A 37 -4.749 -8.752 -13.822 1.00 4.13 N ATOM 0 H ASN A 37 -9.333 -8.914 -12.073 1.00 1.38 H new ATOM 0 HA ASN A 37 -7.475 -9.718 -12.944 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -6.421 -7.503 -12.353 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -5.910 -8.186 -10.823 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -3.919 -9.079 -14.316 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -5.482 -8.255 -14.329 1.00 4.13 H new ATOM 554 N PHE A 38 -6.763 -10.543 -9.810 1.00 1.23 N ATOM 555 CA PHE A 38 -6.283 -11.652 -8.981 1.00 1.41 C ATOM 556 C PHE A 38 -7.289 -12.806 -8.913 1.00 1.51 C ATOM 557 O PHE A 38 -6.918 -13.946 -8.638 1.00 2.27 O ATOM 558 CB PHE A 38 -5.928 -11.158 -7.568 1.00 1.89 C ATOM 559 CG PHE A 38 -7.115 -10.889 -6.673 1.00 1.43 C ATOM 560 CD1 PHE A 38 -7.757 -9.658 -6.701 1.00 1.78 C ATOM 561 CD2 PHE A 38 -7.594 -11.867 -5.813 1.00 1.62 C ATOM 562 CE1 PHE A 38 -8.849 -9.410 -5.890 1.00 1.88 C ATOM 563 CE2 PHE A 38 -8.686 -11.621 -5.000 1.00 2.03 C ATOM 564 CZ PHE A 38 -9.290 -10.395 -5.008 1.00 1.97 C ATOM 0 H PHE A 38 -6.921 -9.674 -9.299 1.00 1.23 H new ATOM 0 HA PHE A 38 -5.382 -12.040 -9.456 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -5.290 -11.901 -7.088 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -5.342 -10.243 -7.655 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -7.399 -8.885 -7.364 1.00 1.78 H new ATOM 0 HD2 PHE A 38 -7.109 -12.831 -5.778 1.00 1.62 H new ATOM 0 HE1 PHE A 38 -9.357 -8.458 -5.940 1.00 1.88 H new ATOM 0 HE2 PHE A 38 -9.063 -12.402 -4.356 1.00 2.03 H new ATOM 0 HZ PHE A 38 -10.107 -10.190 -4.332 1.00 1.97 H new ATOM 574 N PHE A 39 -8.552 -12.512 -9.166 1.00 1.24 N ATOM 575 CA PHE A 39 -9.587 -13.535 -9.127 1.00 1.51 C ATOM 576 C PHE A 39 -10.075 -13.868 -10.537 1.00 1.25 C ATOM 577 O PHE A 39 -10.681 -14.913 -10.766 1.00 1.22 O ATOM 578 CB PHE A 39 -10.752 -13.046 -8.264 1.00 2.01 C ATOM 579 CG PHE A 39 -11.655 -14.133 -7.760 1.00 1.77 C ATOM 580 CD1 PHE A 39 -11.189 -15.089 -6.873 1.00 1.63 C ATOM 581 CD2 PHE A 39 -12.977 -14.187 -8.167 1.00 1.94 C ATOM 582 CE1 PHE A 39 -12.026 -16.082 -6.403 1.00 1.63 C ATOM 583 CE2 PHE A 39 -13.819 -15.175 -7.700 1.00 1.93 C ATOM 584 CZ PHE A 39 -13.344 -16.125 -6.818 1.00 1.75 C ATOM 0 H PHE A 39 -8.887 -11.577 -9.400 1.00 1.24 H new ATOM 0 HA PHE A 39 -9.170 -14.443 -8.692 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -10.350 -12.500 -7.410 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -11.345 -12.339 -8.844 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -10.160 -15.058 -6.545 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -13.354 -13.447 -8.858 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -11.652 -16.823 -5.713 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -14.849 -15.205 -8.024 1.00 1.93 H new ATOM 0 HZ PHE A 39 -14.001 -16.900 -6.453 1.00 1.75 H new ATOM 594 N GLN A 40 -9.776 -12.987 -11.486 1.00 1.25 N ATOM 595 CA GLN A 40 -10.314 -13.110 -12.841 1.00 1.25 C ATOM 596 C GLN A 40 -9.229 -13.480 -13.849 1.00 1.28 C ATOM 597 O GLN A 40 -9.493 -13.601 -15.047 1.00 1.93 O ATOM 598 CB GLN A 40 -10.989 -11.800 -13.265 1.00 1.46 C ATOM 599 CG GLN A 40 -11.631 -11.035 -12.115 1.00 1.85 C ATOM 600 CD GLN A 40 -12.900 -11.693 -11.604 1.00 1.75 C ATOM 601 OE1 GLN A 40 -13.602 -12.379 -12.344 1.00 2.39 O ATOM 602 NE2 GLN A 40 -13.202 -11.487 -10.332 1.00 1.80 N ATOM 0 H GLN A 40 -9.166 -12.182 -11.345 1.00 1.25 H new ATOM 0 HA GLN A 40 -11.051 -13.913 -12.829 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -10.249 -11.160 -13.745 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -11.752 -12.021 -14.012 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -10.916 -10.952 -11.297 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -11.860 -10.021 -12.443 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -12.594 -10.911 -9.750 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -14.043 -11.904 -9.934 1.00 1.80 H new ATOM 611 N ILE A 41 -8.007 -13.650 -13.372 1.00 1.12 N ATOM 612 CA ILE A 41 -6.910 -14.039 -14.247 1.00 1.27 C ATOM 613 C ILE A 41 -6.811 -15.560 -14.341 1.00 1.35 C ATOM 614 O ILE A 41 -6.301 -16.106 -15.321 1.00 1.77 O ATOM 615 CB ILE A 41 -5.560 -13.436 -13.778 1.00 1.70 C ATOM 616 CG1 ILE A 41 -4.643 -13.200 -14.977 1.00 2.36 C ATOM 617 CG2 ILE A 41 -4.874 -14.325 -12.747 1.00 2.27 C ATOM 618 CD1 ILE A 41 -5.151 -12.126 -15.913 1.00 3.23 C ATOM 0 H ILE A 41 -7.749 -13.526 -12.393 1.00 1.12 H new ATOM 0 HA ILE A 41 -7.124 -13.639 -15.238 1.00 1.27 H new ATOM 0 HB ILE A 41 -5.770 -12.480 -13.298 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -3.652 -12.922 -14.619 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -4.532 -14.132 -15.530 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -3.932 -13.869 -12.443 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -5.520 -14.438 -11.876 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -4.679 -15.305 -13.183 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -4.454 -12.007 -16.743 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -6.130 -12.412 -16.299 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -5.236 -11.183 -15.373 1.00 3.23 H new ATOM 630 N GLY A 42 -7.338 -16.229 -13.329 1.00 1.60 N ATOM 631 CA GLY A 42 -7.282 -17.673 -13.265 1.00 1.96 C ATOM 632 C GLY A 42 -7.815 -18.174 -11.944 1.00 1.64 C ATOM 633 O GLY A 42 -7.125 -18.894 -11.214 1.00 2.06 O ATOM 0 H GLY A 42 -7.811 -15.789 -12.539 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -7.863 -18.100 -14.082 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -6.253 -18.007 -13.397 1.00 1.96 H new ATOM 637 N GLY A 43 -9.041 -17.775 -11.632 1.00 1.60 N ATOM 638 CA GLY A 43 -9.644 -18.139 -10.367 1.00 1.92 C ATOM 639 C GLY A 43 -9.916 -19.625 -10.254 1.00 1.62 C ATOM 640 O GLY A 43 -10.524 -20.228 -11.140 1.00 2.17 O ATOM 0 H GLY A 43 -9.630 -17.203 -12.237 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -8.986 -17.832 -9.554 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -10.579 -17.592 -10.244 1.00 1.92 H new ATOM 644 N HIS A 44 -9.458 -20.218 -9.165 1.00 1.25 N ATOM 645 CA HIS A 44 -9.670 -21.634 -8.923 1.00 1.22 C ATOM 646 C HIS A 44 -9.896 -21.890 -7.437 1.00 1.13 C ATOM 647 O HIS A 44 -9.144 -22.623 -6.790 1.00 1.36 O ATOM 648 CB HIS A 44 -8.486 -22.452 -9.441 1.00 1.54 C ATOM 649 CG HIS A 44 -8.902 -23.682 -10.189 1.00 1.39 C ATOM 650 ND1 HIS A 44 -8.926 -23.759 -11.567 1.00 1.94 N ATOM 651 CD2 HIS A 44 -9.321 -24.890 -9.742 1.00 1.92 C ATOM 652 CE1 HIS A 44 -9.341 -24.958 -11.930 1.00 2.26 C ATOM 653 NE2 HIS A 44 -9.587 -25.660 -10.844 1.00 2.26 N ATOM 0 H HIS A 44 -8.935 -19.739 -8.432 1.00 1.25 H new ATOM 0 HA HIS A 44 -10.562 -21.949 -9.465 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -7.878 -21.826 -10.094 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -7.857 -22.742 -8.600 1.00 1.54 H new ATOM 0 HD2 HIS A 44 -9.426 -25.190 -8.710 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -9.459 -25.305 -12.946 1.00 2.26 H new ATOM 0 HE2 HIS A 44 -9.922 -26.623 -10.826 1.00 2.26 H new ATOM 662 N SER A 45 -10.931 -21.261 -6.905 1.00 1.01 N ATOM 663 CA SER A 45 -11.316 -21.440 -5.517 1.00 1.10 C ATOM 664 C SER A 45 -12.089 -22.748 -5.345 1.00 1.13 C ATOM 665 O SER A 45 -12.293 -23.488 -6.309 1.00 1.31 O ATOM 666 CB SER A 45 -12.168 -20.249 -5.076 1.00 1.19 C ATOM 667 OG SER A 45 -12.355 -19.345 -6.157 1.00 1.19 O ATOM 0 H SER A 45 -11.526 -20.614 -7.422 1.00 1.01 H new ATOM 0 HA SER A 45 -10.423 -21.492 -4.895 1.00 1.10 H new ATOM 0 HB2 SER A 45 -13.135 -20.599 -4.715 1.00 1.19 H new ATOM 0 HB3 SER A 45 -11.685 -19.736 -4.244 1.00 1.19 H new ATOM 0 HG SER A 45 -12.627 -18.470 -5.809 1.00 1.19 H new ATOM 673 N LEU A 46 -12.516 -23.033 -4.125 1.00 1.21 N ATOM 674 CA LEU A 46 -13.288 -24.234 -3.858 1.00 1.32 C ATOM 675 C LEU A 46 -14.745 -23.874 -3.596 1.00 1.35 C ATOM 676 O LEU A 46 -15.268 -24.099 -2.507 1.00 1.77 O ATOM 677 CB LEU A 46 -12.696 -24.998 -2.672 1.00 1.50 C ATOM 678 CG LEU A 46 -11.655 -26.054 -3.049 1.00 1.83 C ATOM 679 CD1 LEU A 46 -10.285 -25.672 -2.509 1.00 2.37 C ATOM 680 CD2 LEU A 46 -12.074 -27.421 -2.535 1.00 2.35 C ATOM 0 H LEU A 46 -12.341 -22.450 -3.306 1.00 1.21 H new ATOM 0 HA LEU A 46 -13.245 -24.881 -4.734 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -12.238 -24.283 -1.989 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -13.507 -25.484 -2.129 1.00 1.50 H new ATOM 0 HG LEU A 46 -11.591 -26.102 -4.136 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -9.558 -26.435 -2.787 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -9.983 -24.713 -2.929 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -10.331 -25.594 -1.423 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -11.322 -28.160 -2.812 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -12.168 -27.388 -1.450 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -13.033 -27.697 -2.974 1.00 2.35 H new ATOM 692 N LYS A 47 -15.391 -23.310 -4.606 1.00 1.23 N ATOM 693 CA LYS A 47 -16.774 -22.879 -4.484 1.00 1.28 C ATOM 694 C LYS A 47 -17.599 -23.402 -5.653 1.00 1.27 C ATOM 695 O LYS A 47 -17.044 -23.844 -6.662 1.00 1.27 O ATOM 696 CB LYS A 47 -16.846 -21.351 -4.433 1.00 1.30 C ATOM 697 CG LYS A 47 -17.601 -20.818 -3.226 1.00 1.49 C ATOM 698 CD LYS A 47 -16.724 -20.795 -1.985 1.00 1.72 C ATOM 699 CE LYS A 47 -16.922 -19.516 -1.192 1.00 1.61 C ATOM 700 NZ LYS A 47 -16.446 -19.650 0.210 1.00 2.27 N ATOM 0 H LYS A 47 -14.977 -23.140 -5.522 1.00 1.23 H new ATOM 0 HA LYS A 47 -17.184 -23.284 -3.559 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -15.833 -20.948 -4.425 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -17.327 -20.988 -5.341 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -17.961 -19.811 -3.437 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -18.478 -21.438 -3.041 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -16.957 -21.655 -1.357 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -15.677 -20.887 -2.275 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -16.388 -18.701 -1.680 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -17.979 -19.249 -1.192 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -16.600 -18.754 0.716 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -16.973 -20.411 0.684 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -15.431 -19.879 0.212 1.00 2.27 H new ATOM 714 N ALA A 48 -18.920 -23.330 -5.513 1.00 1.33 N ATOM 715 CA ALA A 48 -19.842 -23.828 -6.530 1.00 1.38 C ATOM 716 C ALA A 48 -19.619 -23.140 -7.873 1.00 1.18 C ATOM 717 O ALA A 48 -19.626 -23.786 -8.923 1.00 1.05 O ATOM 718 CB ALA A 48 -21.279 -23.642 -6.068 1.00 1.64 C ATOM 0 H ALA A 48 -19.380 -22.927 -4.696 1.00 1.33 H new ATOM 0 HA ALA A 48 -19.647 -24.891 -6.669 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -21.959 -24.016 -6.833 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -21.437 -24.193 -5.141 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -21.472 -22.583 -5.898 1.00 1.64 H new ATOM 724 N MET A 49 -19.409 -21.832 -7.832 1.00 1.20 N ATOM 725 CA MET A 49 -19.138 -21.060 -9.039 1.00 1.09 C ATOM 726 C MET A 49 -17.840 -21.526 -9.703 1.00 0.94 C ATOM 727 O MET A 49 -17.749 -21.613 -10.928 1.00 0.85 O ATOM 728 CB MET A 49 -19.054 -19.569 -8.694 1.00 1.22 C ATOM 729 CG MET A 49 -18.720 -18.679 -9.879 1.00 1.35 C ATOM 730 SD MET A 49 -19.568 -17.089 -9.815 1.00 1.95 S ATOM 731 CE MET A 49 -20.375 -17.070 -11.416 1.00 2.58 C ATOM 0 H MET A 49 -19.421 -21.281 -6.974 1.00 1.20 H new ATOM 0 HA MET A 49 -19.954 -21.218 -9.744 1.00 1.09 H new ATOM 0 HB2 MET A 49 -20.006 -19.250 -8.270 1.00 1.22 H new ATOM 0 HB3 MET A 49 -18.298 -19.427 -7.922 1.00 1.22 H new ATOM 0 HG2 MET A 49 -17.643 -18.511 -9.910 1.00 1.35 H new ATOM 0 HG3 MET A 49 -18.989 -19.193 -10.802 1.00 1.35 H new ATOM 0 HE1 MET A 49 -21.371 -16.638 -11.316 1.00 2.58 H new ATOM 0 HE2 MET A 49 -19.788 -16.472 -12.112 1.00 2.58 H new ATOM 0 HE3 MET A 49 -20.458 -18.089 -11.794 1.00 2.58 H new ATOM 741 N ALA A 50 -16.853 -21.854 -8.881 1.00 0.96 N ATOM 742 CA ALA A 50 -15.536 -22.233 -9.373 1.00 0.90 C ATOM 743 C ALA A 50 -15.565 -23.604 -10.043 1.00 0.84 C ATOM 744 O ALA A 50 -15.009 -23.786 -11.129 1.00 0.80 O ATOM 745 CB ALA A 50 -14.530 -22.218 -8.234 1.00 1.06 C ATOM 0 H ALA A 50 -16.940 -21.865 -7.865 1.00 0.96 H new ATOM 0 HA ALA A 50 -15.233 -21.505 -10.125 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -13.548 -22.503 -8.612 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -14.478 -21.216 -7.808 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -14.841 -22.924 -7.464 1.00 1.06 H new ATOM 751 N VAL A 51 -16.221 -24.564 -9.403 1.00 0.90 N ATOM 752 CA VAL A 51 -16.297 -25.916 -9.948 1.00 0.92 C ATOM 753 C VAL A 51 -17.193 -25.958 -11.181 1.00 0.84 C ATOM 754 O VAL A 51 -17.068 -26.854 -12.015 1.00 0.85 O ATOM 755 CB VAL A 51 -16.789 -26.949 -8.909 1.00 1.07 C ATOM 756 CG1 VAL A 51 -15.701 -27.230 -7.886 1.00 1.17 C ATOM 757 CG2 VAL A 51 -18.064 -26.486 -8.222 1.00 1.46 C ATOM 0 H VAL A 51 -16.704 -24.435 -8.514 1.00 0.90 H new ATOM 0 HA VAL A 51 -15.280 -26.190 -10.230 1.00 0.92 H new ATOM 0 HB VAL A 51 -17.019 -27.873 -9.440 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -16.063 -27.959 -7.161 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -14.820 -27.627 -8.391 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -15.439 -26.306 -7.371 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -18.381 -27.237 -7.498 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -17.879 -25.543 -7.708 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -18.848 -26.346 -8.966 1.00 1.46 H new ATOM 767 N ALA A 52 -18.088 -24.981 -11.300 1.00 0.84 N ATOM 768 CA ALA A 52 -18.925 -24.856 -12.486 1.00 0.85 C ATOM 769 C ALA A 52 -18.065 -24.521 -13.698 1.00 0.77 C ATOM 770 O ALA A 52 -18.296 -25.019 -14.800 1.00 0.83 O ATOM 771 CB ALA A 52 -19.990 -23.790 -12.278 1.00 0.97 C ATOM 0 H ALA A 52 -18.251 -24.267 -10.590 1.00 0.84 H new ATOM 0 HA ALA A 52 -19.425 -25.808 -12.663 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -20.605 -23.711 -13.174 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -20.618 -24.063 -11.430 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -19.511 -22.831 -12.081 1.00 0.97 H new ATOM 777 N ALA A 53 -17.060 -23.679 -13.480 1.00 0.72 N ATOM 778 CA ALA A 53 -16.121 -23.325 -14.532 1.00 0.74 C ATOM 779 C ALA A 53 -15.229 -24.513 -14.879 1.00 0.73 C ATOM 780 O ALA A 53 -14.917 -24.750 -16.046 1.00 0.93 O ATOM 781 CB ALA A 53 -15.274 -22.138 -14.103 1.00 0.82 C ATOM 0 H ALA A 53 -16.877 -23.230 -12.583 1.00 0.72 H new ATOM 0 HA ALA A 53 -16.688 -23.049 -15.421 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -14.575 -21.883 -14.900 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -15.920 -21.284 -13.900 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -14.718 -22.395 -13.201 1.00 0.82 H new ATOM 787 N GLN A 54 -14.836 -25.265 -13.856 1.00 0.71 N ATOM 788 CA GLN A 54 -13.967 -26.423 -14.037 1.00 0.83 C ATOM 789 C GLN A 54 -14.618 -27.460 -14.952 1.00 0.88 C ATOM 790 O GLN A 54 -14.059 -27.828 -15.986 1.00 1.07 O ATOM 791 CB GLN A 54 -13.635 -27.051 -12.680 1.00 0.99 C ATOM 792 CG GLN A 54 -12.950 -28.405 -12.783 1.00 1.27 C ATOM 793 CD GLN A 54 -11.982 -28.657 -11.646 1.00 1.30 C ATOM 794 OE1 GLN A 54 -11.289 -27.751 -11.190 1.00 1.76 O ATOM 795 NE2 GLN A 54 -11.925 -29.895 -11.187 1.00 1.86 N ATOM 0 H GLN A 54 -15.107 -25.092 -12.888 1.00 0.71 H new ATOM 0 HA GLN A 54 -13.044 -26.085 -14.509 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -12.992 -26.370 -12.122 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -14.555 -27.162 -12.106 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -13.706 -29.190 -12.792 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -12.415 -28.466 -13.731 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -12.518 -30.618 -11.594 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -11.288 -30.128 -10.425 1.00 1.86 H new ATOM 804 N VAL A 55 -15.816 -27.901 -14.587 1.00 0.88 N ATOM 805 CA VAL A 55 -16.509 -28.937 -15.348 1.00 0.98 C ATOM 806 C VAL A 55 -17.152 -28.357 -16.608 1.00 0.96 C ATOM 807 O VAL A 55 -17.923 -29.025 -17.292 1.00 1.10 O ATOM 808 CB VAL A 55 -17.585 -29.653 -14.500 1.00 1.13 C ATOM 809 CG1 VAL A 55 -17.904 -31.028 -15.070 1.00 1.82 C ATOM 810 CG2 VAL A 55 -17.133 -29.778 -13.056 1.00 1.36 C ATOM 0 H VAL A 55 -16.327 -27.560 -13.773 1.00 0.88 H new ATOM 0 HA VAL A 55 -15.756 -29.671 -15.636 1.00 0.98 H new ATOM 0 HB VAL A 55 -18.492 -29.049 -14.532 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -18.664 -31.510 -14.454 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -18.276 -30.922 -16.089 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -17.001 -31.638 -15.075 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -17.904 -30.285 -12.476 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -16.209 -30.354 -13.013 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -16.961 -28.785 -12.641 1.00 1.36 H new ATOM 820 N HIS A 56 -16.827 -27.110 -16.921 1.00 0.95 N ATOM 821 CA HIS A 56 -17.319 -26.495 -18.145 1.00 1.02 C ATOM 822 C HIS A 56 -16.374 -26.771 -19.304 1.00 0.97 C ATOM 823 O HIS A 56 -16.684 -26.471 -20.458 1.00 1.30 O ATOM 824 CB HIS A 56 -17.512 -24.992 -17.972 1.00 1.22 C ATOM 825 CG HIS A 56 -18.777 -24.506 -18.594 1.00 1.39 C ATOM 826 ND1 HIS A 56 -19.040 -24.628 -19.939 1.00 1.92 N ATOM 827 CD2 HIS A 56 -19.870 -23.930 -18.048 1.00 1.81 C ATOM 828 CE1 HIS A 56 -20.240 -24.143 -20.194 1.00 1.97 C ATOM 829 NE2 HIS A 56 -20.769 -23.714 -19.064 1.00 1.97 N ATOM 0 H HIS A 56 -16.231 -26.510 -16.351 1.00 0.95 H new ATOM 0 HA HIS A 56 -18.289 -26.939 -18.369 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -17.516 -24.749 -16.909 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -16.667 -24.466 -18.416 1.00 1.22 H new ATOM 0 HD1 HIS A 56 -18.407 -25.030 -20.630 1.00 1.92 H new ATOM 0 HD2 HIS A 56 -20.011 -23.685 -17.006 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -20.711 -24.104 -21.165 1.00 1.97 H new ATOM 838 N ARG A 57 -15.209 -27.316 -18.983 1.00 0.98 N ATOM 839 CA ARG A 57 -14.264 -27.764 -19.997 1.00 1.19 C ATOM 840 C ARG A 57 -13.683 -29.113 -19.591 1.00 1.33 C ATOM 841 O ARG A 57 -12.727 -29.599 -20.196 1.00 2.17 O ATOM 842 CB ARG A 57 -13.144 -26.737 -20.188 1.00 1.33 C ATOM 843 CG ARG A 57 -12.499 -26.792 -21.568 1.00 1.79 C ATOM 844 CD ARG A 57 -11.876 -25.460 -21.955 1.00 1.88 C ATOM 845 NE ARG A 57 -12.642 -24.775 -22.996 1.00 2.28 N ATOM 846 CZ ARG A 57 -13.082 -23.524 -22.891 1.00 2.79 C ATOM 847 NH1 ARG A 57 -12.844 -22.832 -21.787 1.00 3.10 N ATOM 848 NH2 ARG A 57 -13.765 -22.966 -23.883 1.00 3.57 N ATOM 0 H ARG A 57 -14.894 -27.459 -18.023 1.00 0.98 H new ATOM 0 HA ARG A 57 -14.789 -27.869 -20.946 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -13.546 -25.737 -20.023 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -12.378 -26.901 -19.430 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -11.734 -27.568 -21.581 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -13.249 -27.071 -22.308 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -11.811 -24.821 -21.074 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -10.857 -25.625 -22.305 1.00 1.88 H new ATOM 0 HE ARG A 57 -12.851 -25.287 -23.853 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -12.324 -23.258 -21.020 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -13.180 -21.873 -21.704 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -13.956 -23.497 -24.733 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -14.099 -22.006 -23.795 1.00 3.57 H new ATOM 862 N GLU A 58 -14.272 -29.695 -18.541 1.00 1.21 N ATOM 863 CA GLU A 58 -13.874 -31.002 -18.005 1.00 1.40 C ATOM 864 C GLU A 58 -12.537 -30.936 -17.265 1.00 1.22 C ATOM 865 O GLU A 58 -12.172 -31.870 -16.549 1.00 1.68 O ATOM 866 CB GLU A 58 -13.819 -32.058 -19.114 1.00 1.88 C ATOM 867 CG GLU A 58 -14.996 -33.022 -19.092 1.00 2.68 C ATOM 868 CD GLU A 58 -16.332 -32.329 -19.284 1.00 3.16 C ATOM 869 OE1 GLU A 58 -16.523 -31.674 -20.332 1.00 3.53 O ATOM 870 OE2 GLU A 58 -17.204 -32.456 -18.399 1.00 3.64 O ATOM 0 H GLU A 58 -15.047 -29.268 -18.034 1.00 1.21 H new ATOM 0 HA GLU A 58 -14.636 -31.294 -17.283 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -13.788 -31.557 -20.081 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -12.893 -32.625 -19.019 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -14.863 -33.767 -19.876 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -15.003 -33.557 -18.142 1.00 2.68 H new ATOM 877 N TYR A 59 -11.817 -29.833 -17.433 1.00 1.26 N ATOM 878 CA TYR A 59 -10.528 -29.640 -16.780 1.00 1.40 C ATOM 879 C TYR A 59 -10.060 -28.197 -16.937 1.00 1.33 C ATOM 880 O TYR A 59 -10.711 -27.389 -17.604 1.00 1.82 O ATOM 881 CB TYR A 59 -9.471 -30.593 -17.361 1.00 1.93 C ATOM 882 CG TYR A 59 -9.442 -30.647 -18.877 1.00 2.42 C ATOM 883 CD1 TYR A 59 -8.928 -29.588 -19.614 1.00 2.98 C ATOM 884 CD2 TYR A 59 -9.931 -31.750 -19.568 1.00 2.85 C ATOM 885 CE1 TYR A 59 -8.899 -29.628 -20.995 1.00 3.65 C ATOM 886 CE2 TYR A 59 -9.905 -31.796 -20.949 1.00 3.50 C ATOM 887 CZ TYR A 59 -9.387 -30.760 -21.656 1.00 3.80 C ATOM 888 OH TYR A 59 -9.362 -30.780 -23.033 1.00 4.58 O ATOM 0 H TYR A 59 -12.108 -29.052 -18.022 1.00 1.26 H new ATOM 0 HA TYR A 59 -10.654 -29.861 -15.720 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -8.488 -30.289 -17.001 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -9.654 -31.597 -16.977 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -8.545 -28.719 -19.099 1.00 2.98 H new ATOM 0 HD2 TYR A 59 -10.338 -32.585 -19.016 1.00 2.85 H new ATOM 0 HE1 TYR A 59 -8.504 -28.795 -21.557 1.00 3.65 H new ATOM 0 HE2 TYR A 59 -10.298 -32.659 -21.467 1.00 3.50 H new ATOM 0 HH TYR A 59 -9.731 -31.629 -23.355 1.00 4.58 H new ATOM 898 N GLN A 60 -8.934 -27.884 -16.312 1.00 1.24 N ATOM 899 CA GLN A 60 -8.288 -26.588 -16.469 1.00 1.28 C ATOM 900 C GLN A 60 -6.782 -26.764 -16.346 1.00 1.38 C ATOM 901 O GLN A 60 -6.026 -26.354 -17.226 1.00 1.94 O ATOM 902 CB GLN A 60 -8.792 -25.599 -15.417 1.00 1.68 C ATOM 903 CG GLN A 60 -9.463 -24.372 -16.012 1.00 1.83 C ATOM 904 CD GLN A 60 -10.355 -23.655 -15.018 1.00 2.07 C ATOM 905 OE1 GLN A 60 -11.589 -24.117 -14.891 1.00 2.80 O flip ATOM 906 NE2 GLN A 60 -9.938 -22.698 -14.368 1.00 2.27 N flip ATOM 0 H GLN A 60 -8.443 -28.519 -15.683 1.00 1.24 H new ATOM 0 HA GLN A 60 -8.531 -26.186 -17.452 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -9.498 -26.107 -14.761 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -7.953 -25.281 -14.798 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -8.699 -23.683 -16.371 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -10.056 -24.670 -16.877 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -8.980 -22.373 -14.496 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -10.551 -22.229 -13.701 1.00 2.27 H new ATOM 915 N VAL A 61 -6.375 -27.408 -15.248 1.00 1.49 N ATOM 916 CA VAL A 61 -4.976 -27.769 -14.974 1.00 1.90 C ATOM 917 C VAL A 61 -3.993 -26.658 -15.337 1.00 2.03 C ATOM 918 O VAL A 61 -3.089 -26.857 -16.155 1.00 2.77 O ATOM 919 CB VAL A 61 -4.538 -29.086 -15.670 1.00 2.42 C ATOM 920 CG1 VAL A 61 -4.051 -30.081 -14.630 1.00 3.13 C ATOM 921 CG2 VAL A 61 -5.659 -29.698 -16.501 1.00 2.70 C ATOM 0 H VAL A 61 -7.017 -27.699 -14.511 1.00 1.49 H new ATOM 0 HA VAL A 61 -4.944 -27.923 -13.895 1.00 1.90 H new ATOM 0 HB VAL A 61 -3.725 -28.843 -16.355 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -3.745 -31.003 -15.124 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -3.202 -29.659 -14.092 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -4.856 -30.296 -13.927 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -5.305 -30.617 -16.968 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -6.509 -29.922 -15.856 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -5.966 -28.993 -17.274 1.00 2.70 H new ATOM 931 N GLU A 62 -4.195 -25.492 -14.726 1.00 1.77 N ATOM 932 CA GLU A 62 -3.270 -24.360 -14.828 1.00 2.15 C ATOM 933 C GLU A 62 -3.294 -23.706 -16.209 1.00 1.95 C ATOM 934 O GLU A 62 -2.460 -22.848 -16.507 1.00 2.59 O ATOM 935 CB GLU A 62 -1.840 -24.789 -14.470 1.00 2.85 C ATOM 936 CG GLU A 62 -1.450 -24.514 -13.024 1.00 3.27 C ATOM 937 CD GLU A 62 -2.634 -24.151 -12.149 1.00 4.00 C ATOM 938 OE1 GLU A 62 -3.011 -22.960 -12.118 1.00 4.41 O ATOM 939 OE2 GLU A 62 -3.187 -25.051 -11.480 1.00 4.56 O ATOM 0 H GLU A 62 -5.010 -25.303 -14.142 1.00 1.77 H new ATOM 0 HA GLU A 62 -3.610 -23.614 -14.110 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -1.732 -25.856 -14.667 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -1.142 -24.271 -15.128 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -0.958 -25.395 -12.612 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -0.723 -23.702 -12.998 1.00 3.27 H new ATOM 946 N LEU A 63 -4.248 -24.094 -17.044 1.00 1.62 N ATOM 947 CA LEU A 63 -4.395 -23.482 -18.361 1.00 1.78 C ATOM 948 C LEU A 63 -5.825 -22.985 -18.570 1.00 1.53 C ATOM 949 O LEU A 63 -6.596 -23.582 -19.324 1.00 1.50 O ATOM 950 CB LEU A 63 -4.018 -24.471 -19.469 1.00 2.34 C ATOM 951 CG LEU A 63 -2.996 -25.540 -19.078 1.00 2.46 C ATOM 952 CD1 LEU A 63 -3.230 -26.813 -19.874 1.00 2.93 C ATOM 953 CD2 LEU A 63 -1.577 -25.029 -19.285 1.00 3.01 C ATOM 0 H LEU A 63 -4.929 -24.825 -16.837 1.00 1.62 H new ATOM 0 HA LEU A 63 -3.717 -22.630 -18.410 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -4.925 -24.969 -19.812 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -3.624 -23.909 -20.315 1.00 2.34 H new ATOM 0 HG LEU A 63 -3.123 -25.767 -18.020 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -2.495 -27.564 -19.584 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -4.233 -27.190 -19.671 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -3.131 -26.600 -20.938 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -0.866 -25.805 -19.001 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -1.433 -24.771 -20.334 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -1.415 -24.145 -18.668 1.00 3.01 H new ATOM 965 N PRO A 64 -6.204 -21.886 -17.905 1.00 1.52 N ATOM 966 CA PRO A 64 -7.536 -21.313 -18.013 1.00 1.44 C ATOM 967 C PRO A 64 -7.647 -20.318 -19.170 1.00 1.43 C ATOM 968 O PRO A 64 -6.960 -19.294 -19.190 1.00 1.89 O ATOM 969 CB PRO A 64 -7.725 -20.600 -16.664 1.00 1.66 C ATOM 970 CG PRO A 64 -6.390 -20.634 -15.973 1.00 1.91 C ATOM 971 CD PRO A 64 -5.381 -21.106 -16.984 1.00 1.79 C ATOM 0 HA PRO A 64 -8.293 -22.070 -18.218 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -8.060 -19.573 -16.811 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -8.485 -21.100 -16.064 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -6.125 -19.646 -15.597 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -6.418 -21.305 -15.114 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -4.888 -20.273 -17.485 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -4.599 -21.711 -16.526 1.00 1.79 H new ATOM 979 N LEU A 65 -8.507 -20.621 -20.133 1.00 1.22 N ATOM 980 CA LEU A 65 -8.727 -19.738 -21.270 1.00 1.24 C ATOM 981 C LEU A 65 -10.192 -19.771 -21.686 1.00 1.19 C ATOM 982 O LEU A 65 -10.723 -20.839 -21.984 1.00 1.82 O ATOM 983 CB LEU A 65 -7.840 -20.151 -22.450 1.00 1.39 C ATOM 984 CG LEU A 65 -8.189 -19.491 -23.786 1.00 1.86 C ATOM 985 CD1 LEU A 65 -7.254 -18.324 -24.066 1.00 2.46 C ATOM 986 CD2 LEU A 65 -8.132 -20.511 -24.914 1.00 2.34 C ATOM 0 H LEU A 65 -9.065 -21.475 -20.149 1.00 1.22 H new ATOM 0 HA LEU A 65 -8.464 -18.723 -20.973 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -6.804 -19.916 -22.206 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -7.901 -21.233 -22.570 1.00 1.39 H new ATOM 0 HG LEU A 65 -9.206 -19.104 -23.726 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -7.518 -17.867 -25.020 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -7.348 -17.584 -23.271 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -6.226 -18.683 -24.108 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -8.383 -20.025 -25.857 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -7.127 -20.928 -24.977 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -8.845 -21.311 -24.717 1.00 2.34 H new ATOM 998 N LYS A 66 -10.836 -18.603 -21.681 1.00 0.89 N ATOM 999 CA LYS A 66 -12.233 -18.474 -22.102 1.00 0.89 C ATOM 1000 C LYS A 66 -13.130 -19.450 -21.341 1.00 0.88 C ATOM 1001 O LYS A 66 -13.833 -20.268 -21.939 1.00 1.21 O ATOM 1002 CB LYS A 66 -12.362 -18.711 -23.613 1.00 1.03 C ATOM 1003 CG LYS A 66 -13.279 -17.723 -24.317 1.00 1.47 C ATOM 1004 CD LYS A 66 -13.580 -18.167 -25.741 1.00 1.62 C ATOM 1005 CE LYS A 66 -14.998 -17.805 -26.153 1.00 1.99 C ATOM 1006 NZ LYS A 66 -15.304 -18.233 -27.544 1.00 2.42 N ATOM 0 H LYS A 66 -10.408 -17.725 -21.387 1.00 0.89 H new ATOM 0 HA LYS A 66 -12.559 -17.459 -21.873 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -11.372 -18.657 -24.065 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -12.735 -19.721 -23.782 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -14.210 -17.627 -23.759 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -12.813 -16.738 -24.332 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -12.871 -17.701 -26.425 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -13.441 -19.245 -25.824 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -15.705 -18.272 -25.467 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -15.136 -16.727 -26.067 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -16.280 -17.966 -27.782 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -14.647 -17.768 -28.203 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -15.199 -19.265 -27.621 1.00 2.42 H new ATOM 1020 N VAL A 67 -13.083 -19.375 -20.018 1.00 0.96 N ATOM 1021 CA VAL A 67 -13.873 -20.265 -19.180 1.00 1.08 C ATOM 1022 C VAL A 67 -14.939 -19.485 -18.422 1.00 1.15 C ATOM 1023 O VAL A 67 -16.117 -19.512 -18.778 1.00 1.70 O ATOM 1024 CB VAL A 67 -12.997 -21.037 -18.165 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -13.739 -22.258 -17.650 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -11.664 -21.443 -18.778 1.00 2.11 C ATOM 0 H VAL A 67 -12.507 -18.709 -19.503 1.00 0.96 H new ATOM 0 HA VAL A 67 -14.345 -20.986 -19.847 1.00 1.08 H new ATOM 0 HB VAL A 67 -12.788 -20.372 -17.327 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -13.111 -22.792 -16.937 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -14.660 -21.944 -17.158 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -13.980 -22.916 -18.485 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -11.073 -21.983 -18.039 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -11.841 -22.085 -19.641 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -11.122 -20.552 -19.094 1.00 2.11 H new ATOM 1036 N LEU A 68 -14.499 -18.785 -17.384 1.00 1.00 N ATOM 1037 CA LEU A 68 -15.383 -17.996 -16.538 1.00 1.15 C ATOM 1038 C LEU A 68 -14.545 -17.210 -15.541 1.00 1.14 C ATOM 1039 O LEU A 68 -14.786 -16.035 -15.292 1.00 1.53 O ATOM 1040 CB LEU A 68 -16.378 -18.897 -15.796 1.00 1.35 C ATOM 1041 CG LEU A 68 -17.764 -18.286 -15.574 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -18.698 -18.641 -16.722 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -18.341 -18.752 -14.247 1.00 2.02 C ATOM 0 H LEU A 68 -13.518 -18.749 -17.105 1.00 1.00 H new ATOM 0 HA LEU A 68 -15.954 -17.309 -17.163 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -16.492 -19.825 -16.356 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -15.954 -19.160 -14.827 1.00 1.35 H new ATOM 0 HG LEU A 68 -17.662 -17.201 -15.543 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -19.678 -18.197 -16.545 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -18.289 -18.256 -17.656 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -18.797 -19.724 -16.789 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -19.327 -18.309 -14.103 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -18.428 -19.839 -14.250 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -17.682 -18.443 -13.435 1.00 2.02 H new ATOM 1055 N PHE A 69 -13.541 -17.880 -14.987 1.00 1.04 N ATOM 1056 CA PHE A 69 -12.586 -17.240 -14.088 1.00 1.16 C ATOM 1057 C PHE A 69 -11.329 -16.853 -14.855 1.00 1.15 C ATOM 1058 O PHE A 69 -10.268 -16.617 -14.274 1.00 1.87 O ATOM 1059 CB PHE A 69 -12.228 -18.183 -12.944 1.00 1.30 C ATOM 1060 CG PHE A 69 -13.307 -18.304 -11.904 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -14.409 -19.115 -12.120 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -13.220 -17.603 -10.712 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -15.402 -19.222 -11.166 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -14.210 -17.707 -9.757 1.00 1.81 C ATOM 1065 CZ PHE A 69 -15.294 -18.535 -9.976 1.00 1.60 C ATOM 0 H PHE A 69 -13.366 -18.872 -15.146 1.00 1.04 H new ATOM 0 HA PHE A 69 -13.041 -16.340 -13.674 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -12.015 -19.171 -13.352 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -11.313 -17.831 -12.467 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -14.493 -19.669 -13.043 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -12.366 -16.967 -10.528 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -16.264 -19.845 -11.353 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -14.138 -17.142 -8.839 1.00 1.81 H new ATOM 0 HZ PHE A 69 -16.055 -18.644 -9.217 1.00 1.60 H new ATOM 1075 N ALA A 70 -11.471 -16.807 -16.168 1.00 0.92 N ATOM 1076 CA ALA A 70 -10.391 -16.460 -17.067 1.00 0.94 C ATOM 1077 C ALA A 70 -10.970 -15.667 -18.219 1.00 0.91 C ATOM 1078 O ALA A 70 -12.006 -16.059 -18.763 1.00 1.09 O ATOM 1079 CB ALA A 70 -9.696 -17.713 -17.573 1.00 1.03 C ATOM 0 H ALA A 70 -12.350 -17.012 -16.642 1.00 0.92 H new ATOM 0 HA ALA A 70 -9.647 -15.861 -16.543 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -8.887 -17.433 -18.248 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -9.289 -18.269 -16.729 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -10.413 -18.337 -18.106 1.00 1.03 H new ATOM 1085 N GLN A 71 -10.301 -14.573 -18.578 1.00 1.05 N ATOM 1086 CA GLN A 71 -10.839 -13.589 -19.517 1.00 1.14 C ATOM 1087 C GLN A 71 -11.983 -12.831 -18.849 1.00 1.04 C ATOM 1088 O GLN A 71 -13.114 -13.317 -18.813 1.00 1.19 O ATOM 1089 CB GLN A 71 -11.324 -14.241 -20.822 1.00 1.43 C ATOM 1090 CG GLN A 71 -10.280 -14.276 -21.925 1.00 1.89 C ATOM 1091 CD GLN A 71 -9.123 -15.206 -21.617 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -9.317 -16.334 -21.160 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -7.914 -14.738 -21.872 1.00 3.23 N ATOM 0 H GLN A 71 -9.371 -14.343 -18.227 1.00 1.05 H new ATOM 0 HA GLN A 71 -10.038 -12.899 -19.782 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -11.645 -15.260 -20.608 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -12.199 -13.700 -21.182 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -10.753 -14.590 -22.856 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -9.896 -13.269 -22.086 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -7.800 -13.798 -22.250 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -7.094 -15.317 -21.691 1.00 3.23 H new ATOM 1102 N PRO A 72 -11.693 -11.634 -18.296 1.00 1.11 N ATOM 1103 CA PRO A 72 -12.672 -10.815 -17.554 1.00 1.26 C ATOM 1104 C PRO A 72 -13.840 -10.343 -18.423 1.00 1.21 C ATOM 1105 O PRO A 72 -13.963 -9.160 -18.745 1.00 1.62 O ATOM 1106 CB PRO A 72 -11.852 -9.615 -17.063 1.00 1.60 C ATOM 1107 CG PRO A 72 -10.431 -10.047 -17.167 1.00 1.77 C ATOM 1108 CD PRO A 72 -10.374 -10.985 -18.335 1.00 1.38 C ATOM 0 HA PRO A 72 -13.137 -11.388 -16.752 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -12.041 -8.732 -17.674 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -12.111 -9.354 -16.037 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -9.772 -9.192 -17.320 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -10.105 -10.541 -16.252 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -10.212 -10.454 -19.273 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -9.564 -11.708 -18.234 1.00 1.38 H new ATOM 1116 N THR A 73 -14.691 -11.284 -18.790 1.00 1.29 N ATOM 1117 CA THR A 73 -15.870 -11.012 -19.587 1.00 1.40 C ATOM 1118 C THR A 73 -16.976 -11.975 -19.179 1.00 1.25 C ATOM 1119 O THR A 73 -17.549 -12.678 -20.011 1.00 1.55 O ATOM 1120 CB THR A 73 -15.567 -11.162 -21.092 1.00 1.86 C ATOM 1121 OG1 THR A 73 -14.206 -11.584 -21.272 1.00 2.46 O ATOM 1122 CG2 THR A 73 -15.795 -9.849 -21.822 1.00 2.01 C ATOM 0 H THR A 73 -14.581 -12.267 -18.540 1.00 1.29 H new ATOM 0 HA THR A 73 -16.188 -9.984 -19.411 1.00 1.40 H new ATOM 0 HB THR A 73 -16.241 -11.911 -21.507 1.00 1.86 H new ATOM 0 HG1 THR A 73 -14.017 -11.680 -22.229 1.00 2.46 H new ATOM 0 HG21 THR A 73 -15.575 -9.979 -22.882 1.00 2.01 H new ATOM 0 HG22 THR A 73 -16.834 -9.542 -21.702 1.00 2.01 H new ATOM 0 HG23 THR A 73 -15.140 -9.083 -21.407 1.00 2.01 H new ATOM 1130 N ILE A 74 -17.253 -11.984 -17.879 1.00 1.12 N ATOM 1131 CA ILE A 74 -18.165 -12.945 -17.262 1.00 1.13 C ATOM 1132 C ILE A 74 -19.510 -13.010 -17.979 1.00 1.08 C ATOM 1133 O ILE A 74 -19.979 -14.091 -18.320 1.00 1.12 O ATOM 1134 CB ILE A 74 -18.415 -12.612 -15.773 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -17.182 -11.940 -15.148 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -18.799 -13.870 -14.999 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -16.005 -12.874 -14.949 1.00 2.08 C ATOM 0 H ILE A 74 -16.849 -11.321 -17.218 1.00 1.12 H new ATOM 0 HA ILE A 74 -17.675 -13.915 -17.345 1.00 1.13 H new ATOM 0 HB ILE A 74 -19.246 -11.909 -15.716 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -16.871 -11.111 -15.784 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -17.462 -11.515 -14.184 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -18.971 -13.615 -13.953 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -19.709 -14.295 -15.423 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -17.992 -14.600 -15.067 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -15.176 -12.324 -14.504 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -16.296 -13.690 -14.288 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -15.696 -13.280 -15.912 1.00 2.08 H new ATOM 1149 N LYS A 75 -20.119 -11.854 -18.216 1.00 1.07 N ATOM 1150 CA LYS A 75 -21.440 -11.808 -18.839 1.00 1.12 C ATOM 1151 C LYS A 75 -21.394 -12.354 -20.264 1.00 1.02 C ATOM 1152 O LYS A 75 -22.223 -13.178 -20.649 1.00 1.06 O ATOM 1153 CB LYS A 75 -21.984 -10.379 -18.837 1.00 1.25 C ATOM 1154 CG LYS A 75 -23.380 -10.257 -19.433 1.00 1.80 C ATOM 1155 CD LYS A 75 -23.528 -8.984 -20.253 1.00 2.44 C ATOM 1156 CE LYS A 75 -22.777 -9.078 -21.571 1.00 3.14 C ATOM 1157 NZ LYS A 75 -23.184 -8.010 -22.521 1.00 3.80 N ATOM 0 H LYS A 75 -19.724 -10.941 -17.989 1.00 1.07 H new ATOM 0 HA LYS A 75 -22.109 -12.439 -18.254 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -22.002 -10.007 -17.812 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -21.302 -9.739 -19.397 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -23.584 -11.123 -20.063 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -24.120 -10.263 -18.633 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -24.584 -8.796 -20.448 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -23.154 -8.136 -19.680 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -21.706 -9.007 -21.384 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -22.958 -10.053 -22.023 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -22.648 -8.111 -23.407 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -24.201 -8.092 -22.721 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -22.988 -7.079 -22.101 1.00 3.80 H new ATOM 1171 N ALA A 76 -20.415 -11.898 -21.038 1.00 0.97 N ATOM 1172 CA ALA A 76 -20.262 -12.338 -22.420 1.00 0.98 C ATOM 1173 C ALA A 76 -20.003 -13.841 -22.495 1.00 0.91 C ATOM 1174 O ALA A 76 -20.630 -14.548 -23.281 1.00 0.97 O ATOM 1175 CB ALA A 76 -19.136 -11.568 -23.098 1.00 1.08 C ATOM 0 H ALA A 76 -19.715 -11.223 -20.731 1.00 0.97 H new ATOM 0 HA ALA A 76 -21.194 -12.133 -22.946 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -19.033 -11.907 -24.129 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -19.366 -10.503 -23.087 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -18.202 -11.743 -22.564 1.00 1.08 H new ATOM 1181 N LEU A 77 -19.098 -14.321 -21.657 1.00 0.91 N ATOM 1182 CA LEU A 77 -18.719 -15.728 -21.656 1.00 0.97 C ATOM 1183 C LEU A 77 -19.883 -16.607 -21.209 1.00 1.04 C ATOM 1184 O LEU A 77 -20.075 -17.711 -21.726 1.00 1.11 O ATOM 1185 CB LEU A 77 -17.506 -15.946 -20.747 1.00 1.15 C ATOM 1186 CG LEU A 77 -16.174 -16.146 -21.472 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -15.930 -15.029 -22.476 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -15.038 -16.212 -20.470 1.00 1.94 C ATOM 0 H LEU A 77 -18.609 -13.754 -20.964 1.00 0.91 H new ATOM 0 HA LEU A 77 -18.453 -16.012 -22.674 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -17.413 -15.088 -20.081 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -17.694 -16.818 -20.120 1.00 1.15 H new ATOM 0 HG LEU A 77 -16.219 -17.089 -22.017 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -14.977 -15.193 -22.979 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -16.733 -15.021 -23.214 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -15.905 -14.071 -21.956 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -14.095 -16.355 -20.998 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -14.999 -15.282 -19.902 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -15.202 -17.047 -19.788 1.00 1.94 H new ATOM 1200 N ALA A 78 -20.669 -16.103 -20.264 1.00 1.13 N ATOM 1201 CA ALA A 78 -21.813 -16.840 -19.743 1.00 1.34 C ATOM 1202 C ALA A 78 -22.943 -16.901 -20.763 1.00 1.34 C ATOM 1203 O ALA A 78 -23.628 -17.913 -20.880 1.00 1.53 O ATOM 1204 CB ALA A 78 -22.306 -16.217 -18.445 1.00 1.57 C ATOM 0 H ALA A 78 -20.534 -15.184 -19.842 1.00 1.13 H new ATOM 0 HA ALA A 78 -21.486 -17.860 -19.540 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -23.161 -16.782 -18.072 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -21.506 -16.238 -17.705 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -22.605 -15.185 -18.627 1.00 1.57 H new ATOM 1210 N GLN A 79 -23.129 -15.823 -21.509 1.00 1.27 N ATOM 1211 CA GLN A 79 -24.200 -15.762 -22.496 1.00 1.42 C ATOM 1212 C GLN A 79 -23.828 -16.542 -23.761 1.00 1.44 C ATOM 1213 O GLN A 79 -24.664 -16.759 -24.641 1.00 1.79 O ATOM 1214 CB GLN A 79 -24.532 -14.301 -22.825 1.00 1.53 C ATOM 1215 CG GLN A 79 -23.736 -13.715 -23.982 1.00 1.65 C ATOM 1216 CD GLN A 79 -24.629 -13.212 -25.097 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -24.736 -12.009 -25.328 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -25.278 -14.129 -25.792 1.00 2.74 N ATOM 0 H GLN A 79 -22.556 -14.981 -21.452 1.00 1.27 H new ATOM 0 HA GLN A 79 -25.088 -16.231 -22.072 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -25.594 -14.227 -23.058 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -24.358 -13.694 -21.937 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -23.118 -12.895 -23.616 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -23.059 -14.473 -24.376 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -25.161 -15.117 -25.567 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -25.896 -13.849 -26.553 1.00 2.74 H new ATOM 1227 N TYR A 80 -22.570 -16.956 -23.847 1.00 1.23 N ATOM 1228 CA TYR A 80 -22.087 -17.713 -24.994 1.00 1.38 C ATOM 1229 C TYR A 80 -21.938 -19.192 -24.650 1.00 1.39 C ATOM 1230 O TYR A 80 -22.778 -20.016 -25.009 1.00 1.59 O ATOM 1231 CB TYR A 80 -20.736 -17.159 -25.461 1.00 1.43 C ATOM 1232 CG TYR A 80 -20.839 -15.939 -26.345 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -21.922 -15.755 -27.196 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -19.841 -14.975 -26.334 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -22.007 -14.640 -28.010 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -19.921 -13.860 -27.142 1.00 2.18 C ATOM 1237 CZ TYR A 80 -21.002 -13.698 -27.977 1.00 2.42 C ATOM 1238 OH TYR A 80 -21.075 -12.585 -28.785 1.00 2.85 O ATOM 0 H TYR A 80 -21.864 -16.779 -23.133 1.00 1.23 H new ATOM 0 HA TYR A 80 -22.819 -17.613 -25.795 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -20.136 -16.910 -24.586 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -20.202 -17.941 -26.001 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -22.709 -16.494 -27.222 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -18.988 -15.100 -25.683 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -22.855 -14.509 -28.666 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -19.138 -13.117 -27.119 1.00 2.18 H new ATOM 0 HH TYR A 80 -20.287 -12.022 -28.638 1.00 2.85 H new ATOM 1248 N VAL A 81 -20.872 -19.510 -23.931 1.00 1.29 N ATOM 1249 CA VAL A 81 -20.515 -20.893 -23.646 1.00 1.39 C ATOM 1250 C VAL A 81 -21.369 -21.468 -22.523 1.00 1.35 C ATOM 1251 O VAL A 81 -21.807 -22.620 -22.591 1.00 1.49 O ATOM 1252 CB VAL A 81 -19.023 -21.022 -23.264 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -18.546 -22.458 -23.428 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -18.167 -20.079 -24.100 1.00 1.72 C ATOM 0 H VAL A 81 -20.234 -18.823 -23.531 1.00 1.29 H new ATOM 0 HA VAL A 81 -20.700 -21.459 -24.559 1.00 1.39 H new ATOM 0 HB VAL A 81 -18.918 -20.742 -22.216 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -17.493 -22.525 -23.154 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -19.132 -23.112 -22.782 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -18.671 -22.767 -24.466 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -17.121 -20.187 -23.814 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -18.281 -20.324 -25.156 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -18.485 -19.051 -23.929 1.00 1.72 H new ATOM 1264 N ALA A 82 -21.621 -20.656 -21.501 1.00 1.42 N ATOM 1265 CA ALA A 82 -22.349 -21.108 -20.317 1.00 1.52 C ATOM 1266 C ALA A 82 -23.859 -21.132 -20.554 1.00 1.59 C ATOM 1267 O ALA A 82 -24.630 -20.538 -19.798 1.00 1.90 O ATOM 1268 CB ALA A 82 -22.009 -20.230 -19.122 1.00 1.66 C ATOM 0 H ALA A 82 -21.331 -19.679 -21.468 1.00 1.42 H new ATOM 0 HA ALA A 82 -22.036 -22.131 -20.106 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -22.558 -20.578 -18.247 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -20.939 -20.284 -18.924 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -22.286 -19.198 -19.338 1.00 1.66 H new ATOM 1274 N THR A 83 -24.272 -21.835 -21.599 1.00 1.64 N ATOM 1275 CA THR A 83 -25.682 -21.971 -21.929 1.00 1.83 C ATOM 1276 C THR A 83 -25.880 -23.049 -22.996 1.00 2.01 C ATOM 1277 O THR A 83 -26.922 -23.708 -23.035 1.00 2.41 O ATOM 1278 CB THR A 83 -26.290 -20.619 -22.392 1.00 2.14 C ATOM 1279 OG1 THR A 83 -27.721 -20.661 -22.306 1.00 2.59 O ATOM 1280 CG2 THR A 83 -25.873 -20.266 -23.814 1.00 2.65 C ATOM 0 H THR A 83 -23.644 -22.323 -22.237 1.00 1.64 H new ATOM 0 HA THR A 83 -26.209 -22.276 -21.025 1.00 1.83 H new ATOM 0 HB THR A 83 -25.905 -19.846 -21.726 1.00 2.14 H new ATOM 0 HG1 THR A 83 -28.092 -19.802 -22.599 1.00 2.59 H new ATOM 0 HG21 THR A 83 -26.320 -19.313 -24.098 1.00 2.65 H new ATOM 0 HG22 THR A 83 -24.787 -20.187 -23.866 1.00 2.65 H new ATOM 0 HG23 THR A 83 -26.213 -21.045 -24.497 1.00 2.65 H new