USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 671 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 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.0144 X(o=-0.014,f=-0.44) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.399 (180deg=-0.913) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0157 (180deg=-0.704) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 75:sc= 1.31 USER MOD Single : A 13 ASN : amide:sc= -0.422 K(o=-0.42,f=-6.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0642 USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00888) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -4.88! C(o=-7.5!,f=-4.9!) USER MOD Single : A 40 GLN :FLIP amide:sc= 0.926 F(o=-1.8!,f=0.93) USER MOD Single : A 44 HIS : no HE2:sc= -1 K(o=-1,f=-3.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 56 HIS : no HE2:sc= 0.0526 X(o=0.053,f=-0.41) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -7.33! C(o=-8!,f=-7.3!) USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00264) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.687 F(o=-3.7!,f=-0.69) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 150:sc= -1.16 USER MOD Single : A 85 SER OG : rot 44:sc= 0.244 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.788 -8.209 -4.888 1.00 6.70 N ATOM 2 CA MET A 1 -1.512 -7.566 -6.195 1.00 6.30 C ATOM 3 C MET A 1 -2.553 -6.507 -6.507 1.00 5.83 C ATOM 4 O MET A 1 -3.572 -6.794 -7.133 1.00 6.14 O ATOM 5 CB MET A 1 -1.501 -8.613 -7.307 1.00 6.81 C ATOM 6 CG MET A 1 -0.738 -8.169 -8.540 1.00 7.17 C ATOM 7 SD MET A 1 0.922 -8.863 -8.607 1.00 7.86 S ATOM 8 CE MET A 1 1.713 -7.977 -7.268 1.00 8.54 C ATOM 0 H1 MET A 1 -0.922 -8.664 -4.535 1.00 6.70 H new ATOM 0 H2 MET A 1 -2.103 -7.489 -4.207 1.00 6.70 H new ATOM 0 H3 MET A 1 -2.533 -8.925 -5.004 1.00 6.70 H new ATOM 0 HA MET A 1 -0.533 -7.089 -6.136 1.00 6.30 H new ATOM 0 HB2 MET A 1 -1.058 -9.533 -6.926 1.00 6.81 H new ATOM 0 HB3 MET A 1 -2.528 -8.846 -7.588 1.00 6.81 H new ATOM 0 HG2 MET A 1 -1.289 -8.467 -9.432 1.00 7.17 H new ATOM 0 HG3 MET A 1 -0.675 -7.081 -8.553 1.00 7.17 H new ATOM 0 HE1 MET A 1 2.794 -8.090 -7.346 1.00 8.54 H new ATOM 0 HE2 MET A 1 1.453 -6.920 -7.327 1.00 8.54 H new ATOM 0 HE3 MET A 1 1.374 -8.381 -6.314 1.00 8.54 H new ATOM 20 N GLY A 2 -2.292 -5.284 -6.068 1.00 5.41 N ATOM 21 CA GLY A 2 -3.226 -4.204 -6.306 1.00 5.21 C ATOM 22 C GLY A 2 -4.610 -4.539 -5.799 1.00 4.76 C ATOM 23 O GLY A 2 -5.600 -3.966 -6.248 1.00 5.03 O ATOM 0 H GLY A 2 -1.452 -5.021 -5.552 1.00 5.41 H new ATOM 0 HA2 GLY A 2 -2.868 -3.299 -5.815 1.00 5.21 H new ATOM 0 HA3 GLY A 2 -3.271 -3.991 -7.374 1.00 5.21 H new ATOM 27 N VAL A 3 -4.674 -5.480 -4.862 1.00 4.46 N ATOM 28 CA VAL A 3 -5.940 -5.902 -4.277 1.00 4.34 C ATOM 29 C VAL A 3 -6.720 -4.710 -3.757 1.00 3.47 C ATOM 30 O VAL A 3 -7.921 -4.800 -3.507 1.00 3.74 O ATOM 31 CB VAL A 3 -5.714 -6.879 -3.118 1.00 5.24 C ATOM 32 CG1 VAL A 3 -5.304 -8.241 -3.645 1.00 6.05 C ATOM 33 CG2 VAL A 3 -4.667 -6.329 -2.162 1.00 5.84 C ATOM 0 H VAL A 3 -3.858 -5.967 -4.491 1.00 4.46 H new ATOM 0 HA VAL A 3 -6.507 -6.397 -5.065 1.00 4.34 H new ATOM 0 HB VAL A 3 -6.649 -6.996 -2.570 1.00 5.24 H new ATOM 0 HG11 VAL A 3 -5.148 -8.923 -2.809 1.00 6.05 H new ATOM 0 HG12 VAL A 3 -6.090 -8.633 -4.291 1.00 6.05 H new ATOM 0 HG13 VAL A 3 -4.379 -8.147 -4.215 1.00 6.05 H new ATOM 0 HG21 VAL A 3 -4.516 -7.033 -1.343 1.00 5.84 H new ATOM 0 HG22 VAL A 3 -3.727 -6.186 -2.695 1.00 5.84 H new ATOM 0 HG23 VAL A 3 -5.006 -5.374 -1.761 1.00 5.84 H new ATOM 43 N THR A 4 -6.015 -3.602 -3.580 1.00 2.94 N ATOM 44 CA THR A 4 -6.614 -2.370 -3.098 1.00 2.60 C ATOM 45 C THR A 4 -7.959 -2.112 -3.762 1.00 2.42 C ATOM 46 O THR A 4 -8.178 -2.501 -4.909 1.00 3.09 O ATOM 47 CB THR A 4 -5.685 -1.181 -3.371 1.00 2.97 C ATOM 48 OG1 THR A 4 -5.222 -1.235 -4.725 1.00 3.36 O ATOM 49 CG2 THR A 4 -4.496 -1.201 -2.423 1.00 3.59 C ATOM 0 H THR A 4 -5.015 -3.534 -3.766 1.00 2.94 H new ATOM 0 HA THR A 4 -6.767 -2.480 -2.024 1.00 2.60 H new ATOM 0 HB THR A 4 -6.243 -0.258 -3.210 1.00 2.97 H new ATOM 0 HG1 THR A 4 -4.630 -0.474 -4.899 1.00 3.36 H new ATOM 0 HG21 THR A 4 -3.849 -0.349 -2.633 1.00 3.59 H new ATOM 0 HG22 THR A 4 -4.850 -1.143 -1.394 1.00 3.59 H new ATOM 0 HG23 THR A 4 -3.935 -2.125 -2.562 1.00 3.59 H new ATOM 57 N GLU A 5 -8.852 -1.461 -3.028 1.00 2.01 N ATOM 58 CA GLU A 5 -10.183 -1.144 -3.534 1.00 1.95 C ATOM 59 C GLU A 5 -10.114 -0.607 -4.956 1.00 2.02 C ATOM 60 O GLU A 5 -9.504 0.431 -5.208 1.00 2.45 O ATOM 61 CB GLU A 5 -10.863 -0.119 -2.630 1.00 2.25 C ATOM 62 CG GLU A 5 -11.087 -0.616 -1.215 1.00 2.50 C ATOM 63 CD GLU A 5 -9.839 -0.519 -0.362 1.00 3.01 C ATOM 64 OE1 GLU A 5 -9.251 0.580 -0.297 1.00 3.44 O ATOM 65 OE2 GLU A 5 -9.450 -1.542 0.236 1.00 3.47 O ATOM 0 H GLU A 5 -8.678 -1.140 -2.075 1.00 2.01 H new ATOM 0 HA GLU A 5 -10.767 -2.064 -3.539 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -10.255 0.785 -2.597 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -11.823 0.158 -3.066 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -11.886 -0.037 -0.752 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -11.422 -1.653 -1.246 1.00 2.50 H new ATOM 72 N ALA A 6 -10.741 -1.323 -5.880 1.00 1.93 N ATOM 73 CA ALA A 6 -10.751 -0.922 -7.278 1.00 2.21 C ATOM 74 C ALA A 6 -11.835 0.114 -7.542 1.00 1.87 C ATOM 75 O ALA A 6 -12.990 -0.070 -7.161 1.00 2.34 O ATOM 76 CB ALA A 6 -10.952 -2.136 -8.170 1.00 3.01 C ATOM 0 H ALA A 6 -11.250 -2.185 -5.685 1.00 1.93 H new ATOM 0 HA ALA A 6 -9.787 -0.468 -7.509 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -10.958 -1.823 -9.214 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -10.140 -2.845 -8.008 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -11.903 -2.612 -7.928 1.00 3.01 H new ATOM 82 N GLN A 7 -11.452 1.206 -8.196 1.00 1.57 N ATOM 83 CA GLN A 7 -12.390 2.272 -8.521 1.00 1.65 C ATOM 84 C GLN A 7 -13.118 1.964 -9.823 1.00 1.53 C ATOM 85 O GLN A 7 -13.658 2.860 -10.473 1.00 1.80 O ATOM 86 CB GLN A 7 -11.656 3.607 -8.642 1.00 2.14 C ATOM 87 CG GLN A 7 -10.669 3.864 -7.518 1.00 2.64 C ATOM 88 CD GLN A 7 -11.294 4.605 -6.356 1.00 3.04 C ATOM 89 OE1 GLN A 7 -11.201 5.827 -6.263 1.00 3.51 O ATOM 90 NE2 GLN A 7 -11.939 3.865 -5.465 1.00 3.49 N ATOM 0 H GLN A 7 -10.497 1.375 -8.511 1.00 1.57 H new ATOM 0 HA GLN A 7 -13.122 2.340 -7.716 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -11.125 3.635 -9.593 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -12.389 4.414 -8.662 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -10.269 2.913 -7.166 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -9.828 4.441 -7.902 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -11.990 2.853 -5.584 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -12.384 4.307 -4.661 1.00 3.49 H new ATOM 99 N TYR A 8 -13.130 0.688 -10.194 1.00 1.48 N ATOM 100 CA TYR A 8 -13.783 0.252 -11.421 1.00 1.47 C ATOM 101 C TYR A 8 -14.805 -0.845 -11.140 1.00 1.56 C ATOM 102 O TYR A 8 -14.855 -1.856 -11.840 1.00 2.27 O ATOM 103 CB TYR A 8 -12.739 -0.253 -12.415 1.00 1.61 C ATOM 104 CG TYR A 8 -13.196 -0.197 -13.850 1.00 1.62 C ATOM 105 CD1 TYR A 8 -13.202 1.003 -14.547 1.00 1.71 C ATOM 106 CD2 TYR A 8 -13.621 -1.342 -14.510 1.00 1.79 C ATOM 107 CE1 TYR A 8 -13.618 1.061 -15.862 1.00 1.89 C ATOM 108 CE2 TYR A 8 -14.039 -1.293 -15.825 1.00 2.00 C ATOM 109 CZ TYR A 8 -14.036 -0.089 -16.497 1.00 2.01 C ATOM 110 OH TYR A 8 -14.451 -0.035 -17.807 1.00 2.32 O ATOM 0 H TYR A 8 -12.693 -0.063 -9.660 1.00 1.48 H new ATOM 0 HA TYR A 8 -14.308 1.106 -11.849 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -11.831 0.340 -12.308 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -12.479 -1.282 -12.165 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -12.876 1.906 -14.053 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -13.625 -2.287 -13.986 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -13.616 2.003 -16.391 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -14.367 -2.193 -16.325 1.00 2.00 H new ATOM 0 HH TYR A 8 -14.712 -0.932 -18.105 1.00 2.32 H new ATOM 120 N VAL A 9 -15.622 -0.640 -10.116 1.00 1.35 N ATOM 121 CA VAL A 9 -16.638 -1.617 -9.752 1.00 1.47 C ATOM 122 C VAL A 9 -17.905 -1.426 -10.582 1.00 1.51 C ATOM 123 O VAL A 9 -18.897 -2.125 -10.387 1.00 2.13 O ATOM 124 CB VAL A 9 -16.986 -1.529 -8.251 1.00 1.74 C ATOM 125 CG1 VAL A 9 -17.831 -0.297 -7.963 1.00 2.00 C ATOM 126 CG2 VAL A 9 -17.696 -2.794 -7.792 1.00 2.05 C ATOM 0 H VAL A 9 -15.601 0.191 -9.525 1.00 1.35 H new ATOM 0 HA VAL A 9 -16.224 -2.604 -9.959 1.00 1.47 H new ATOM 0 HB VAL A 9 -16.057 -1.437 -7.689 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -18.064 -0.256 -6.899 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -17.278 0.598 -8.248 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -18.757 -0.349 -8.535 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -17.933 -2.713 -6.731 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -18.617 -2.921 -8.361 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -17.047 -3.655 -7.954 1.00 2.05 H new ATOM 136 N ALA A 10 -17.861 -0.476 -11.512 1.00 1.41 N ATOM 137 CA ALA A 10 -19.006 -0.190 -12.368 1.00 1.50 C ATOM 138 C ALA A 10 -19.331 -1.373 -13.281 1.00 1.34 C ATOM 139 O ALA A 10 -18.570 -1.675 -14.200 1.00 1.73 O ATOM 140 CB ALA A 10 -18.743 1.055 -13.199 1.00 2.09 C ATOM 0 H ALA A 10 -17.044 0.108 -11.691 1.00 1.41 H new ATOM 0 HA ALA A 10 -19.868 -0.016 -11.724 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -19.606 1.258 -13.834 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -18.572 1.904 -12.538 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -17.863 0.897 -13.822 1.00 2.09 H new ATOM 146 N PRO A 11 -20.464 -2.063 -13.043 1.00 1.24 N ATOM 147 CA PRO A 11 -20.874 -3.200 -13.853 1.00 1.52 C ATOM 148 C PRO A 11 -21.765 -2.780 -15.016 1.00 1.50 C ATOM 149 O PRO A 11 -22.372 -1.710 -14.989 1.00 1.83 O ATOM 150 CB PRO A 11 -21.650 -4.049 -12.853 1.00 1.87 C ATOM 151 CG PRO A 11 -22.265 -3.067 -11.906 1.00 1.88 C ATOM 152 CD PRO A 11 -21.438 -1.802 -11.966 1.00 1.45 C ATOM 0 HA PRO A 11 -20.035 -3.717 -14.318 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -22.413 -4.647 -13.351 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -20.992 -4.743 -12.330 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -23.299 -2.863 -12.183 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -22.280 -3.468 -10.893 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -22.055 -0.932 -12.189 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -20.940 -1.605 -11.017 1.00 1.45 H new ATOM 160 N THR A 12 -21.839 -3.626 -16.037 1.00 1.33 N ATOM 161 CA THR A 12 -22.657 -3.335 -17.207 1.00 1.44 C ATOM 162 C THR A 12 -24.055 -3.917 -17.056 1.00 1.40 C ATOM 163 O THR A 12 -25.049 -3.257 -17.357 1.00 1.90 O ATOM 164 CB THR A 12 -22.019 -3.892 -18.491 1.00 1.69 C ATOM 165 OG1 THR A 12 -20.771 -4.524 -18.183 1.00 1.79 O ATOM 166 CG2 THR A 12 -21.793 -2.783 -19.506 1.00 2.04 C ATOM 0 H THR A 12 -21.344 -4.517 -16.078 1.00 1.33 H new ATOM 0 HA THR A 12 -22.723 -2.250 -17.285 1.00 1.44 H new ATOM 0 HB THR A 12 -22.701 -4.625 -18.922 1.00 1.69 H new ATOM 0 HG1 THR A 12 -20.939 -5.390 -17.757 1.00 1.79 H new ATOM 0 HG21 THR A 12 -21.341 -3.200 -20.406 1.00 2.04 H new ATOM 0 HG22 THR A 12 -22.748 -2.322 -19.760 1.00 2.04 H new ATOM 0 HG23 THR A 12 -21.128 -2.031 -19.081 1.00 2.04 H new ATOM 174 N ASN A 13 -24.123 -5.157 -16.585 1.00 1.11 N ATOM 175 CA ASN A 13 -25.400 -5.833 -16.398 1.00 1.23 C ATOM 176 C ASN A 13 -25.613 -6.202 -14.934 1.00 1.03 C ATOM 177 O ASN A 13 -24.655 -6.337 -14.172 1.00 1.32 O ATOM 178 CB ASN A 13 -25.466 -7.088 -17.268 1.00 1.71 C ATOM 179 CG ASN A 13 -26.889 -7.493 -17.595 1.00 1.80 C ATOM 180 OD1 ASN A 13 -27.696 -7.744 -16.701 1.00 2.19 O ATOM 181 ND2 ASN A 13 -27.205 -7.563 -18.882 1.00 2.24 N ATOM 0 H ASN A 13 -23.309 -5.714 -16.326 1.00 1.11 H new ATOM 0 HA ASN A 13 -26.193 -5.148 -16.698 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -24.919 -6.913 -18.195 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -24.967 -7.909 -16.754 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -28.148 -7.833 -19.162 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -26.505 -7.346 -19.592 1.00 2.24 H new ATOM 188 N ALA A 14 -26.876 -6.363 -14.550 1.00 1.04 N ATOM 189 CA ALA A 14 -27.225 -6.715 -13.179 1.00 1.05 C ATOM 190 C ALA A 14 -26.553 -8.016 -12.753 1.00 0.96 C ATOM 191 O ALA A 14 -26.260 -8.216 -11.575 1.00 0.91 O ATOM 192 CB ALA A 14 -28.735 -6.830 -13.033 1.00 1.42 C ATOM 0 H ALA A 14 -27.677 -6.255 -15.172 1.00 1.04 H new ATOM 0 HA ALA A 14 -26.864 -5.921 -12.526 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -28.982 -7.093 -12.005 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -29.199 -5.876 -13.285 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -29.108 -7.603 -13.705 1.00 1.42 H new ATOM 198 N VAL A 15 -26.312 -8.897 -13.719 1.00 1.05 N ATOM 199 CA VAL A 15 -25.674 -10.179 -13.442 1.00 1.12 C ATOM 200 C VAL A 15 -24.242 -9.987 -12.949 1.00 0.97 C ATOM 201 O VAL A 15 -23.803 -10.659 -12.016 1.00 0.96 O ATOM 202 CB VAL A 15 -25.661 -11.083 -14.690 1.00 1.38 C ATOM 203 CG1 VAL A 15 -25.268 -12.504 -14.318 1.00 1.45 C ATOM 204 CG2 VAL A 15 -27.015 -11.062 -15.382 1.00 1.99 C ATOM 0 H VAL A 15 -26.549 -8.747 -14.700 1.00 1.05 H new ATOM 0 HA VAL A 15 -26.261 -10.662 -12.661 1.00 1.12 H new ATOM 0 HB VAL A 15 -24.917 -10.695 -15.386 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -25.265 -13.127 -15.213 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -24.273 -12.502 -13.874 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -25.985 -12.904 -13.600 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -26.985 -11.706 -16.261 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -27.781 -11.422 -14.694 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -27.252 -10.043 -15.688 1.00 1.99 H new ATOM 214 N GLU A 16 -23.521 -9.065 -13.581 1.00 0.95 N ATOM 215 CA GLU A 16 -22.138 -8.784 -13.208 1.00 0.94 C ATOM 216 C GLU A 16 -22.066 -8.110 -11.844 1.00 0.83 C ATOM 217 O GLU A 16 -21.165 -8.384 -11.050 1.00 0.86 O ATOM 218 CB GLU A 16 -21.478 -7.893 -14.259 1.00 1.06 C ATOM 219 CG GLU A 16 -21.128 -8.627 -15.540 1.00 1.37 C ATOM 220 CD GLU A 16 -20.843 -7.686 -16.692 1.00 1.45 C ATOM 221 OE1 GLU A 16 -21.629 -6.738 -16.892 1.00 1.53 O ATOM 222 OE2 GLU A 16 -19.834 -7.899 -17.394 1.00 1.93 O ATOM 0 H GLU A 16 -23.872 -8.500 -14.354 1.00 0.95 H new ATOM 0 HA GLU A 16 -21.605 -9.733 -13.153 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -22.147 -7.066 -14.495 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -20.571 -7.459 -13.838 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -20.256 -9.257 -15.366 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -21.951 -9.289 -15.811 1.00 1.37 H new ATOM 229 N SER A 17 -23.017 -7.221 -11.582 1.00 0.83 N ATOM 230 CA SER A 17 -23.069 -6.503 -10.315 1.00 0.89 C ATOM 231 C SER A 17 -23.319 -7.460 -9.155 1.00 0.85 C ATOM 232 O SER A 17 -22.703 -7.342 -8.096 1.00 0.88 O ATOM 233 CB SER A 17 -24.168 -5.441 -10.357 1.00 1.09 C ATOM 234 OG SER A 17 -24.589 -5.194 -11.688 1.00 1.48 O ATOM 0 H SER A 17 -23.765 -6.980 -12.233 1.00 0.83 H new ATOM 0 HA SER A 17 -22.105 -6.018 -10.160 1.00 0.89 H new ATOM 0 HB2 SER A 17 -25.018 -5.769 -9.759 1.00 1.09 H new ATOM 0 HB3 SER A 17 -23.802 -4.516 -9.911 1.00 1.09 H new ATOM 0 HG SER A 17 -25.293 -4.513 -11.687 1.00 1.48 H new ATOM 240 N LYS A 18 -24.224 -8.409 -9.365 1.00 0.85 N ATOM 241 CA LYS A 18 -24.566 -9.385 -8.337 1.00 0.92 C ATOM 242 C LYS A 18 -23.403 -10.333 -8.066 1.00 0.84 C ATOM 243 O LYS A 18 -23.036 -10.565 -6.914 1.00 0.85 O ATOM 244 CB LYS A 18 -25.800 -10.183 -8.757 1.00 1.07 C ATOM 245 CG LYS A 18 -26.985 -9.998 -7.826 1.00 1.38 C ATOM 246 CD LYS A 18 -27.912 -11.200 -7.862 1.00 1.76 C ATOM 247 CE LYS A 18 -29.124 -10.992 -6.970 1.00 2.42 C ATOM 248 NZ LYS A 18 -28.770 -11.056 -5.526 1.00 2.96 N ATOM 0 H LYS A 18 -24.735 -8.523 -10.240 1.00 0.85 H new ATOM 0 HA LYS A 18 -24.784 -8.841 -7.418 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -26.090 -9.886 -9.765 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -25.542 -11.241 -8.799 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -26.629 -9.842 -6.808 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -27.537 -9.102 -8.111 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -28.239 -11.379 -8.886 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -27.370 -12.089 -7.540 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -29.575 -10.024 -7.190 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -29.874 -11.751 -7.194 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -29.632 -10.960 -4.953 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -28.317 -11.969 -5.320 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -28.113 -10.284 -5.295 1.00 2.96 H new ATOM 262 N LEU A 19 -22.831 -10.882 -9.132 1.00 0.82 N ATOM 263 CA LEU A 19 -21.710 -11.806 -9.010 1.00 0.84 C ATOM 264 C LEU A 19 -20.535 -11.147 -8.293 1.00 0.80 C ATOM 265 O LEU A 19 -19.949 -11.727 -7.380 1.00 0.82 O ATOM 266 CB LEU A 19 -21.271 -12.289 -10.392 1.00 0.96 C ATOM 267 CG LEU A 19 -21.465 -13.785 -10.644 1.00 1.16 C ATOM 268 CD1 LEU A 19 -22.449 -14.011 -11.780 1.00 1.73 C ATOM 269 CD2 LEU A 19 -20.131 -14.448 -10.950 1.00 1.81 C ATOM 0 H LEU A 19 -23.126 -10.703 -10.092 1.00 0.82 H new ATOM 0 HA LEU A 19 -22.039 -12.661 -8.419 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -21.826 -11.733 -11.148 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -20.217 -12.046 -10.528 1.00 0.96 H new ATOM 0 HG LEU A 19 -21.875 -14.238 -9.742 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -22.575 -15.081 -11.945 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -23.411 -13.568 -11.522 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -22.068 -13.546 -12.689 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -20.286 -15.512 -11.127 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -19.693 -13.992 -11.838 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -19.456 -14.315 -10.104 1.00 1.81 H new ATOM 281 N ALA A 20 -20.201 -9.933 -8.714 1.00 0.82 N ATOM 282 CA ALA A 20 -19.095 -9.194 -8.118 1.00 0.91 C ATOM 283 C ALA A 20 -19.377 -8.853 -6.659 1.00 0.84 C ATOM 284 O ALA A 20 -18.470 -8.845 -5.831 1.00 0.87 O ATOM 285 CB ALA A 20 -18.825 -7.925 -8.912 1.00 1.08 C ATOM 0 H ALA A 20 -20.681 -9.439 -9.467 1.00 0.82 H new ATOM 0 HA ALA A 20 -18.210 -9.830 -8.148 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -17.997 -7.381 -8.458 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -18.568 -8.186 -9.939 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -19.716 -7.298 -8.909 1.00 1.08 H new ATOM 291 N GLU A 21 -20.639 -8.575 -6.350 1.00 0.85 N ATOM 292 CA GLU A 21 -21.034 -8.222 -4.990 1.00 0.94 C ATOM 293 C GLU A 21 -20.850 -9.395 -4.032 1.00 0.84 C ATOM 294 O GLU A 21 -20.218 -9.257 -2.988 1.00 0.85 O ATOM 295 CB GLU A 21 -22.490 -7.756 -4.965 1.00 1.13 C ATOM 296 CG GLU A 21 -22.779 -6.719 -3.894 1.00 1.72 C ATOM 297 CD GLU A 21 -24.233 -6.296 -3.870 1.00 2.05 C ATOM 298 OE1 GLU A 21 -24.586 -5.347 -4.600 1.00 2.69 O ATOM 299 OE2 GLU A 21 -25.019 -6.915 -3.123 1.00 2.14 O ATOM 0 H GLU A 21 -21.406 -8.587 -7.022 1.00 0.85 H new ATOM 0 HA GLU A 21 -20.388 -7.409 -4.659 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -22.746 -7.341 -5.940 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -23.136 -8.619 -4.807 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -22.506 -7.123 -2.919 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -22.152 -5.843 -4.063 1.00 1.72 H new ATOM 306 N ILE A 22 -21.400 -10.547 -4.396 1.00 0.83 N ATOM 307 CA ILE A 22 -21.312 -11.740 -3.559 1.00 0.91 C ATOM 308 C ILE A 22 -19.880 -12.261 -3.450 1.00 0.82 C ATOM 309 O ILE A 22 -19.477 -12.771 -2.405 1.00 0.86 O ATOM 310 CB ILE A 22 -22.209 -12.870 -4.106 1.00 1.09 C ATOM 311 CG1 ILE A 22 -23.658 -12.394 -4.216 1.00 1.25 C ATOM 312 CG2 ILE A 22 -22.117 -14.104 -3.219 1.00 1.40 C ATOM 313 CD1 ILE A 22 -24.529 -13.297 -5.062 1.00 1.91 C ATOM 0 H ILE A 22 -21.913 -10.682 -5.267 1.00 0.83 H new ATOM 0 HA ILE A 22 -21.654 -11.443 -2.568 1.00 0.91 H new ATOM 0 HB ILE A 22 -21.857 -13.138 -5.102 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -24.086 -12.324 -3.216 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -23.671 -11.390 -4.640 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -22.757 -14.890 -3.621 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -21.085 -14.455 -3.190 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -22.443 -13.852 -2.210 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -25.543 -12.898 -5.095 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -24.126 -13.348 -6.073 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -24.547 -14.296 -4.627 1.00 1.91 H new ATOM 325 N TRP A 23 -19.114 -12.126 -4.524 1.00 0.79 N ATOM 326 CA TRP A 23 -17.741 -12.620 -4.545 1.00 0.84 C ATOM 327 C TRP A 23 -16.779 -11.718 -3.774 1.00 0.82 C ATOM 328 O TRP A 23 -15.943 -12.205 -3.013 1.00 0.94 O ATOM 329 CB TRP A 23 -17.266 -12.783 -5.988 1.00 0.90 C ATOM 330 CG TRP A 23 -17.563 -14.140 -6.545 1.00 0.98 C ATOM 331 CD1 TRP A 23 -18.501 -14.457 -7.486 1.00 1.26 C ATOM 332 CD2 TRP A 23 -16.922 -15.368 -6.187 1.00 0.95 C ATOM 333 NE1 TRP A 23 -18.481 -15.808 -7.734 1.00 1.33 N ATOM 334 CE2 TRP A 23 -17.519 -16.389 -6.949 1.00 1.14 C ATOM 335 CE3 TRP A 23 -15.898 -15.702 -5.297 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -17.127 -17.721 -6.846 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -15.510 -17.024 -5.195 1.00 1.16 C ATOM 338 CH2 TRP A 23 -16.122 -18.019 -5.967 1.00 1.24 C ATOM 0 H TRP A 23 -19.417 -11.680 -5.390 1.00 0.79 H new ATOM 0 HA TRP A 23 -17.741 -13.588 -4.044 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -17.744 -12.027 -6.611 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -16.192 -12.603 -6.035 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -19.162 -13.749 -7.965 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -19.084 -16.299 -8.395 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -15.419 -14.941 -4.700 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -17.599 -18.491 -7.438 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -14.721 -17.295 -4.508 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -15.794 -19.043 -5.866 1.00 1.24 H new ATOM 349 N GLU A 24 -16.895 -10.408 -3.964 1.00 0.80 N ATOM 350 CA GLU A 24 -16.006 -9.465 -3.290 1.00 0.93 C ATOM 351 C GLU A 24 -16.497 -9.124 -1.884 1.00 0.90 C ATOM 352 O GLU A 24 -15.971 -8.218 -1.238 1.00 1.04 O ATOM 353 CB GLU A 24 -15.848 -8.190 -4.127 1.00 1.20 C ATOM 354 CG GLU A 24 -16.959 -7.170 -3.931 1.00 1.75 C ATOM 355 CD GLU A 24 -16.433 -5.829 -3.467 1.00 2.29 C ATOM 356 OE1 GLU A 24 -16.092 -4.997 -4.332 1.00 2.65 O ATOM 357 OE2 GLU A 24 -16.361 -5.611 -2.240 1.00 2.78 O ATOM 0 H GLU A 24 -17.589 -9.976 -4.574 1.00 0.80 H new ATOM 0 HA GLU A 24 -15.033 -9.946 -3.188 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -14.895 -7.723 -3.880 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -15.805 -8.465 -5.181 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -17.500 -7.041 -4.868 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -17.673 -7.550 -3.201 1.00 1.75 H new ATOM 364 N ARG A 25 -17.502 -9.854 -1.414 1.00 0.97 N ATOM 365 CA ARG A 25 -18.054 -9.621 -0.083 1.00 1.16 C ATOM 366 C ARG A 25 -17.886 -10.853 0.797 1.00 1.21 C ATOM 367 O ARG A 25 -17.907 -10.759 2.025 1.00 1.50 O ATOM 368 CB ARG A 25 -19.533 -9.251 -0.181 1.00 1.41 C ATOM 369 CG ARG A 25 -20.132 -8.775 1.129 1.00 1.99 C ATOM 370 CD ARG A 25 -21.379 -7.942 0.896 1.00 2.67 C ATOM 371 NE ARG A 25 -21.094 -6.511 0.935 1.00 3.12 N ATOM 372 CZ ARG A 25 -20.755 -5.797 -0.133 1.00 3.67 C ATOM 373 NH1 ARG A 25 -20.656 -6.379 -1.320 1.00 3.90 N ATOM 374 NH2 ARG A 25 -20.514 -4.500 -0.014 1.00 4.40 N ATOM 0 H ARG A 25 -17.950 -10.610 -1.932 1.00 0.97 H new ATOM 0 HA ARG A 25 -17.508 -8.794 0.371 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -19.654 -8.469 -0.931 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -20.093 -10.118 -0.532 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -20.378 -9.635 1.752 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -19.395 -8.186 1.675 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -21.812 -8.200 -0.071 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -22.124 -8.184 1.654 1.00 2.67 H new ATOM 0 HE ARG A 25 -21.159 -6.032 1.833 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -20.840 -7.378 -1.415 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -20.396 -5.828 -2.138 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -20.589 -4.049 0.898 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -20.254 -3.952 -0.834 1.00 4.40 H new ATOM 388 N VAL A 26 -17.719 -12.007 0.161 1.00 1.11 N ATOM 389 CA VAL A 26 -17.553 -13.260 0.884 1.00 1.34 C ATOM 390 C VAL A 26 -16.124 -13.781 0.761 1.00 1.36 C ATOM 391 O VAL A 26 -15.651 -14.531 1.614 1.00 1.78 O ATOM 392 CB VAL A 26 -18.535 -14.334 0.369 1.00 1.54 C ATOM 393 CG1 VAL A 26 -18.384 -15.627 1.155 1.00 2.01 C ATOM 394 CG2 VAL A 26 -19.967 -13.826 0.443 1.00 1.66 C ATOM 0 H VAL A 26 -17.695 -12.100 -0.854 1.00 1.11 H new ATOM 0 HA VAL A 26 -17.768 -13.057 1.933 1.00 1.34 H new ATOM 0 HB VAL A 26 -18.296 -14.542 -0.674 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -19.086 -16.369 0.774 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -17.366 -16.002 1.047 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -18.591 -15.439 2.208 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -20.646 -14.596 0.076 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -20.215 -13.586 1.477 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -20.068 -12.931 -0.171 1.00 1.66 H new ATOM 404 N LEU A 27 -15.435 -13.369 -0.299 1.00 1.20 N ATOM 405 CA LEU A 27 -14.063 -13.807 -0.532 1.00 1.40 C ATOM 406 C LEU A 27 -13.097 -12.627 -0.565 1.00 1.42 C ATOM 407 O LEU A 27 -12.180 -12.541 0.252 1.00 1.89 O ATOM 408 CB LEU A 27 -13.974 -14.578 -1.848 1.00 1.51 C ATOM 409 CG LEU A 27 -13.548 -16.039 -1.715 1.00 2.02 C ATOM 410 CD1 LEU A 27 -14.766 -16.948 -1.681 1.00 2.17 C ATOM 411 CD2 LEU A 27 -12.622 -16.427 -2.857 1.00 2.85 C ATOM 0 H LEU A 27 -15.803 -12.735 -1.008 1.00 1.20 H new ATOM 0 HA LEU A 27 -13.779 -14.458 0.295 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -14.947 -14.542 -2.339 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -13.268 -14.068 -2.503 1.00 1.51 H new ATOM 0 HG LEU A 27 -13.006 -16.158 -0.777 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -14.444 -17.985 -1.586 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -15.394 -16.684 -0.830 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -15.335 -16.828 -2.603 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -12.327 -17.471 -2.748 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -13.140 -16.293 -3.807 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -11.734 -15.795 -2.836 1.00 2.85 H new ATOM 423 N GLY A 28 -13.308 -11.725 -1.517 1.00 1.29 N ATOM 424 CA GLY A 28 -12.443 -10.568 -1.656 1.00 1.52 C ATOM 425 C GLY A 28 -12.450 -9.663 -0.438 1.00 1.37 C ATOM 426 O GLY A 28 -11.408 -9.437 0.178 1.00 1.73 O ATOM 0 H GLY A 28 -14.066 -11.775 -2.198 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -11.424 -10.906 -1.843 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -12.754 -9.993 -2.529 1.00 1.52 H new ATOM 430 N VAL A 29 -13.627 -9.142 -0.092 1.00 1.31 N ATOM 431 CA VAL A 29 -13.768 -8.240 1.051 1.00 1.31 C ATOM 432 C VAL A 29 -12.891 -7.000 0.877 1.00 1.43 C ATOM 433 O VAL A 29 -12.690 -6.228 1.815 1.00 1.90 O ATOM 434 CB VAL A 29 -13.406 -8.933 2.383 1.00 1.49 C ATOM 435 CG1 VAL A 29 -13.979 -8.163 3.564 1.00 1.78 C ATOM 436 CG2 VAL A 29 -13.901 -10.371 2.397 1.00 1.92 C ATOM 0 H VAL A 29 -14.498 -9.330 -0.588 1.00 1.31 H new ATOM 0 HA VAL A 29 -14.817 -7.945 1.089 1.00 1.31 H new ATOM 0 HB VAL A 29 -12.320 -8.944 2.473 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -13.712 -8.669 4.492 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -13.572 -7.152 3.571 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -15.064 -8.116 3.476 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -13.634 -10.838 3.345 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -14.984 -10.384 2.278 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -13.439 -10.923 1.578 1.00 1.92 H new ATOM 446 N SER A 30 -12.378 -6.810 -0.335 1.00 1.40 N ATOM 447 CA SER A 30 -11.520 -5.670 -0.632 1.00 1.56 C ATOM 448 C SER A 30 -12.310 -4.551 -1.301 1.00 1.53 C ATOM 449 O SER A 30 -12.522 -3.492 -0.713 1.00 2.21 O ATOM 450 CB SER A 30 -10.362 -6.101 -1.534 1.00 1.76 C ATOM 451 OG SER A 30 -9.837 -7.351 -1.125 1.00 1.94 O ATOM 0 H SER A 30 -12.542 -7.432 -1.127 1.00 1.40 H new ATOM 0 HA SER A 30 -11.120 -5.293 0.310 1.00 1.56 H new ATOM 0 HB2 SER A 30 -10.706 -6.167 -2.566 1.00 1.76 H new ATOM 0 HB3 SER A 30 -9.576 -5.346 -1.508 1.00 1.76 H new ATOM 0 HG SER A 30 -9.099 -7.606 -1.718 1.00 1.94 H new ATOM 457 N GLY A 31 -12.743 -4.796 -2.531 1.00 1.30 N ATOM 458 CA GLY A 31 -13.500 -3.799 -3.263 1.00 1.27 C ATOM 459 C GLY A 31 -13.164 -3.805 -4.738 1.00 1.21 C ATOM 460 O GLY A 31 -13.165 -2.762 -5.390 1.00 1.58 O ATOM 0 H GLY A 31 -12.583 -5.668 -3.035 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -14.566 -3.985 -3.133 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -13.296 -2.812 -2.848 1.00 1.27 H new ATOM 464 N ILE A 32 -12.873 -4.989 -5.262 1.00 1.13 N ATOM 465 CA ILE A 32 -12.523 -5.140 -6.667 1.00 1.29 C ATOM 466 C ILE A 32 -13.762 -5.354 -7.526 1.00 1.38 C ATOM 467 O ILE A 32 -14.890 -5.255 -7.044 1.00 2.01 O ATOM 468 CB ILE A 32 -11.556 -6.320 -6.879 1.00 1.71 C ATOM 469 CG1 ILE A 32 -12.052 -7.558 -6.132 1.00 2.68 C ATOM 470 CG2 ILE A 32 -10.155 -5.947 -6.420 1.00 2.03 C ATOM 471 CD1 ILE A 32 -12.044 -8.812 -6.976 1.00 3.56 C ATOM 0 H ILE A 32 -12.873 -5.861 -4.732 1.00 1.13 H new ATOM 0 HA ILE A 32 -12.032 -4.215 -6.970 1.00 1.29 H new ATOM 0 HB ILE A 32 -11.520 -6.551 -7.944 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -11.428 -7.717 -5.253 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -13.066 -7.376 -5.775 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -9.484 -6.792 -6.577 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -9.800 -5.091 -6.993 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -10.175 -5.691 -5.361 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -12.408 -9.652 -6.384 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -12.691 -8.672 -7.842 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -11.028 -9.018 -7.312 1.00 3.56 H new ATOM 483 N GLY A 33 -13.542 -5.645 -8.803 1.00 1.59 N ATOM 484 CA GLY A 33 -14.646 -5.868 -9.716 1.00 1.93 C ATOM 485 C GLY A 33 -14.181 -6.314 -11.086 1.00 1.81 C ATOM 486 O GLY A 33 -13.702 -7.434 -11.251 1.00 2.28 O ATOM 0 H GLY A 33 -12.616 -5.731 -9.223 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -15.313 -6.622 -9.298 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -15.225 -4.950 -9.813 1.00 1.93 H new ATOM 490 N ILE A 34 -14.317 -5.431 -12.069 1.00 1.73 N ATOM 491 CA ILE A 34 -13.911 -5.738 -13.435 1.00 1.78 C ATOM 492 C ILE A 34 -12.586 -5.065 -13.781 1.00 1.93 C ATOM 493 O ILE A 34 -12.463 -4.415 -14.819 1.00 2.58 O ATOM 494 CB ILE A 34 -14.978 -5.287 -14.453 1.00 1.94 C ATOM 495 CG1 ILE A 34 -16.379 -5.352 -13.834 1.00 2.07 C ATOM 496 CG2 ILE A 34 -14.902 -6.138 -15.711 1.00 2.43 C ATOM 497 CD1 ILE A 34 -16.845 -6.758 -13.514 1.00 2.67 C ATOM 0 H ILE A 34 -14.706 -4.496 -11.945 1.00 1.73 H new ATOM 0 HA ILE A 34 -13.794 -6.820 -13.493 1.00 1.78 H new ATOM 0 HB ILE A 34 -14.779 -4.251 -14.727 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -16.389 -4.760 -12.919 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -17.090 -4.891 -14.520 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -15.661 -5.808 -16.420 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -13.915 -6.034 -16.162 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -15.075 -7.183 -15.454 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -17.844 -6.720 -13.080 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -16.869 -7.350 -14.429 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -16.157 -7.216 -12.803 1.00 2.67 H new ATOM 509 N LEU A 35 -11.596 -5.224 -12.911 1.00 1.70 N ATOM 510 CA LEU A 35 -10.286 -4.622 -13.133 1.00 1.89 C ATOM 511 C LEU A 35 -9.173 -5.656 -13.010 1.00 1.85 C ATOM 512 O LEU A 35 -7.993 -5.305 -12.994 1.00 2.19 O ATOM 513 CB LEU A 35 -10.047 -3.490 -12.130 1.00 2.03 C ATOM 514 CG LEU A 35 -9.701 -2.133 -12.747 1.00 1.96 C ATOM 515 CD1 LEU A 35 -9.402 -1.111 -11.660 1.00 2.44 C ATOM 516 CD2 LEU A 35 -8.517 -2.263 -13.692 1.00 2.46 C ATOM 0 H LEU A 35 -11.674 -5.762 -12.048 1.00 1.70 H new ATOM 0 HA LEU A 35 -10.273 -4.221 -14.146 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -10.941 -3.375 -11.517 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -9.238 -3.784 -11.461 1.00 2.03 H new ATOM 0 HG LEU A 35 -10.563 -1.787 -13.318 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -9.158 -0.153 -12.119 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -10.276 -0.995 -11.019 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -8.557 -1.452 -11.062 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -8.285 -1.288 -14.121 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -7.651 -2.632 -13.142 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -8.764 -2.962 -14.491 1.00 2.46 H new ATOM 528 N ASP A 36 -9.555 -6.927 -12.933 1.00 1.95 N ATOM 529 CA ASP A 36 -8.593 -8.017 -12.798 1.00 2.14 C ATOM 530 C ASP A 36 -7.880 -7.933 -11.458 1.00 1.49 C ATOM 531 O ASP A 36 -7.705 -6.848 -10.903 1.00 1.80 O ATOM 532 CB ASP A 36 -7.564 -7.994 -13.933 1.00 3.20 C ATOM 533 CG ASP A 36 -6.142 -7.856 -13.420 1.00 3.75 C ATOM 534 OD1 ASP A 36 -5.577 -8.867 -12.951 1.00 4.01 O ATOM 535 OD2 ASP A 36 -5.597 -6.736 -13.483 1.00 4.20 O ATOM 0 H ASP A 36 -10.529 -7.229 -12.962 1.00 1.95 H new ATOM 0 HA ASP A 36 -9.146 -8.955 -12.853 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -7.650 -8.911 -14.517 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -7.787 -7.166 -14.606 1.00 3.20 H new ATOM 540 N ASN A 37 -7.468 -9.086 -10.942 1.00 1.38 N ATOM 541 CA ASN A 37 -6.774 -9.141 -9.663 1.00 1.74 C ATOM 542 C ASN A 37 -6.361 -10.569 -9.323 1.00 1.40 C ATOM 543 O ASN A 37 -5.323 -11.047 -9.776 1.00 1.90 O ATOM 544 CB ASN A 37 -7.663 -8.575 -8.555 1.00 2.65 C ATOM 545 CG ASN A 37 -9.128 -8.588 -8.939 1.00 3.55 C ATOM 546 OD1 ASN A 37 -9.666 -9.774 -9.190 1.00 4.12 O flip ATOM 547 ND2 ASN A 37 -9.763 -7.541 -9.026 1.00 4.13 N flip ATOM 0 H ASN A 37 -7.603 -9.993 -11.390 1.00 1.38 H new ATOM 0 HA ASN A 37 -5.871 -8.535 -9.742 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -7.522 -9.157 -7.644 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -7.356 -7.553 -8.331 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -9.309 -6.651 -8.823 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -10.745 -7.561 -9.301 1.00 4.13 H new ATOM 554 N PHE A 38 -7.183 -11.248 -8.527 1.00 1.23 N ATOM 555 CA PHE A 38 -6.894 -12.615 -8.118 1.00 1.41 C ATOM 556 C PHE A 38 -7.990 -13.571 -8.572 1.00 1.51 C ATOM 557 O PHE A 38 -7.739 -14.753 -8.800 1.00 2.27 O ATOM 558 CB PHE A 38 -6.748 -12.687 -6.596 1.00 1.89 C ATOM 559 CG PHE A 38 -7.795 -11.903 -5.852 1.00 1.43 C ATOM 560 CD1 PHE A 38 -9.068 -12.420 -5.670 1.00 1.78 C ATOM 561 CD2 PHE A 38 -7.504 -10.652 -5.337 1.00 1.62 C ATOM 562 CE1 PHE A 38 -10.032 -11.701 -4.988 1.00 1.88 C ATOM 563 CE2 PHE A 38 -8.463 -9.929 -4.654 1.00 2.03 C ATOM 564 CZ PHE A 38 -9.729 -10.454 -4.479 1.00 1.97 C ATOM 0 H PHE A 38 -8.054 -10.872 -8.154 1.00 1.23 H new ATOM 0 HA PHE A 38 -5.959 -12.916 -8.590 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -6.797 -13.730 -6.284 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -5.762 -12.317 -6.316 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -9.310 -13.396 -6.065 1.00 1.78 H new ATOM 0 HD2 PHE A 38 -6.516 -10.236 -5.470 1.00 1.62 H new ATOM 0 HE1 PHE A 38 -11.021 -12.114 -4.854 1.00 1.88 H new ATOM 0 HE2 PHE A 38 -8.223 -8.954 -4.257 1.00 2.03 H new ATOM 0 HZ PHE A 38 -10.480 -9.890 -3.945 1.00 1.97 H new ATOM 574 N PHE A 39 -9.204 -13.053 -8.704 1.00 1.24 N ATOM 575 CA PHE A 39 -10.341 -13.867 -9.110 1.00 1.51 C ATOM 576 C PHE A 39 -10.347 -14.116 -10.616 1.00 1.25 C ATOM 577 O PHE A 39 -9.874 -15.152 -11.083 1.00 1.22 O ATOM 578 CB PHE A 39 -11.646 -13.193 -8.681 1.00 2.01 C ATOM 579 CG PHE A 39 -12.855 -14.070 -8.827 1.00 1.77 C ATOM 580 CD1 PHE A 39 -12.853 -15.369 -8.343 1.00 1.63 C ATOM 581 CD2 PHE A 39 -13.995 -13.594 -9.452 1.00 1.94 C ATOM 582 CE1 PHE A 39 -13.966 -16.174 -8.481 1.00 1.63 C ATOM 583 CE2 PHE A 39 -15.110 -14.394 -9.593 1.00 1.93 C ATOM 584 CZ PHE A 39 -15.095 -15.686 -9.107 1.00 1.75 C ATOM 0 H PHE A 39 -9.426 -12.072 -8.536 1.00 1.24 H new ATOM 0 HA PHE A 39 -10.253 -14.834 -8.616 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -11.558 -12.881 -7.640 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -11.790 -12.290 -9.274 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -11.972 -15.755 -7.853 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -14.012 -12.584 -9.834 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -13.953 -17.184 -8.100 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -15.993 -14.010 -10.083 1.00 1.93 H new ATOM 0 HZ PHE A 39 -15.966 -16.315 -9.217 1.00 1.75 H new ATOM 594 N GLN A 40 -10.888 -13.164 -11.371 1.00 1.25 N ATOM 595 CA GLN A 40 -10.964 -13.292 -12.822 1.00 1.25 C ATOM 596 C GLN A 40 -9.598 -13.093 -13.466 1.00 1.28 C ATOM 597 O GLN A 40 -9.285 -12.003 -13.946 1.00 1.93 O ATOM 598 CB GLN A 40 -11.956 -12.281 -13.402 1.00 1.46 C ATOM 599 CG GLN A 40 -13.198 -12.081 -12.552 1.00 1.85 C ATOM 600 CD GLN A 40 -13.348 -10.652 -12.073 1.00 1.75 C ATOM 601 OE1 GLN A 40 -12.922 -10.391 -10.843 1.00 2.39 O flip ATOM 602 NE2 GLN A 40 -13.842 -9.791 -12.801 1.00 1.80 N flip ATOM 0 H GLN A 40 -11.279 -12.297 -11.002 1.00 1.25 H new ATOM 0 HA GLN A 40 -11.309 -14.302 -13.044 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -11.453 -11.322 -13.524 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -12.257 -12.612 -14.396 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -14.079 -12.362 -13.129 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -13.156 -12.747 -11.690 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -14.156 -10.036 -13.740 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -13.937 -8.833 -12.465 1.00 1.80 H new ATOM 611 N ILE A 41 -8.789 -14.147 -13.482 1.00 1.12 N ATOM 612 CA ILE A 41 -7.462 -14.067 -14.076 1.00 1.27 C ATOM 613 C ILE A 41 -6.792 -15.436 -14.156 1.00 1.35 C ATOM 614 O ILE A 41 -6.082 -15.729 -15.118 1.00 1.77 O ATOM 615 CB ILE A 41 -6.556 -13.097 -13.290 1.00 1.70 C ATOM 616 CG1 ILE A 41 -5.248 -12.862 -14.043 1.00 2.36 C ATOM 617 CG2 ILE A 41 -6.280 -13.628 -11.891 1.00 2.27 C ATOM 618 CD1 ILE A 41 -5.344 -11.777 -15.092 1.00 3.23 C ATOM 0 H ILE A 41 -9.027 -15.059 -13.093 1.00 1.12 H new ATOM 0 HA ILE A 41 -7.597 -13.689 -15.089 1.00 1.27 H new ATOM 0 HB ILE A 41 -7.077 -12.144 -13.194 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -4.469 -12.598 -13.328 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -4.940 -13.792 -14.521 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -5.639 -12.927 -11.356 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -7.221 -13.743 -11.353 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -5.782 -14.595 -11.961 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -4.380 -11.663 -15.587 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -6.100 -12.049 -15.828 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -5.621 -10.836 -14.618 1.00 3.23 H new ATOM 630 N GLY A 42 -7.017 -16.273 -13.148 1.00 1.60 N ATOM 631 CA GLY A 42 -6.414 -17.592 -13.145 1.00 1.96 C ATOM 632 C GLY A 42 -6.720 -18.380 -11.886 1.00 1.64 C ATOM 633 O GLY A 42 -6.788 -19.608 -11.921 1.00 2.06 O ATOM 0 H GLY A 42 -7.602 -16.063 -12.339 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -6.769 -18.150 -14.012 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -5.334 -17.492 -13.251 1.00 1.96 H new ATOM 637 N GLY A 43 -6.897 -17.678 -10.772 1.00 1.60 N ATOM 638 CA GLY A 43 -7.192 -18.345 -9.517 1.00 1.92 C ATOM 639 C GLY A 43 -8.533 -19.050 -9.542 1.00 1.62 C ATOM 640 O GLY A 43 -9.567 -18.417 -9.751 1.00 2.17 O ATOM 0 H GLY A 43 -6.842 -16.661 -10.715 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -6.407 -19.069 -9.300 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -7.183 -17.614 -8.709 1.00 1.92 H new ATOM 644 N HIS A 44 -8.523 -20.364 -9.331 1.00 1.25 N ATOM 645 CA HIS A 44 -9.759 -21.136 -9.336 1.00 1.22 C ATOM 646 C HIS A 44 -10.262 -21.391 -7.917 1.00 1.13 C ATOM 647 O HIS A 44 -10.954 -22.374 -7.669 1.00 1.36 O ATOM 648 CB HIS A 44 -9.575 -22.457 -10.091 1.00 1.54 C ATOM 649 CG HIS A 44 -8.530 -23.358 -9.511 1.00 1.39 C ATOM 650 ND1 HIS A 44 -8.507 -23.733 -8.185 1.00 1.94 N ATOM 651 CD2 HIS A 44 -7.473 -23.974 -10.092 1.00 1.92 C ATOM 652 CE1 HIS A 44 -7.482 -24.540 -7.976 1.00 2.26 C ATOM 653 NE2 HIS A 44 -6.841 -24.702 -9.117 1.00 2.26 N ATOM 0 H HIS A 44 -7.680 -20.911 -9.156 1.00 1.25 H new ATOM 0 HA HIS A 44 -10.514 -20.546 -9.856 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -10.527 -22.988 -10.108 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -9.314 -22.237 -11.126 1.00 1.54 H new ATOM 0 HD1 HIS A 44 -9.177 -23.434 -7.476 1.00 1.94 H new ATOM 0 HD2 HIS A 44 -7.182 -23.905 -11.130 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -7.215 -24.990 -7.031 1.00 2.26 H new ATOM 662 N SER A 45 -9.899 -20.493 -6.999 1.00 1.01 N ATOM 663 CA SER A 45 -10.315 -20.571 -5.591 1.00 1.10 C ATOM 664 C SER A 45 -10.506 -22.014 -5.101 1.00 1.13 C ATOM 665 O SER A 45 -9.779 -22.921 -5.506 1.00 1.31 O ATOM 666 CB SER A 45 -11.606 -19.773 -5.393 1.00 1.19 C ATOM 667 OG SER A 45 -11.879 -18.957 -6.518 1.00 1.19 O ATOM 0 H SER A 45 -9.307 -19.689 -7.208 1.00 1.01 H new ATOM 0 HA SER A 45 -9.511 -20.142 -4.993 1.00 1.10 H new ATOM 0 HB2 SER A 45 -12.438 -20.457 -5.226 1.00 1.19 H new ATOM 0 HB3 SER A 45 -11.520 -19.152 -4.502 1.00 1.19 H new ATOM 0 HG SER A 45 -12.709 -18.459 -6.367 1.00 1.19 H new ATOM 673 N LEU A 46 -11.484 -22.211 -4.215 1.00 1.21 N ATOM 674 CA LEU A 46 -11.775 -23.531 -3.665 1.00 1.32 C ATOM 675 C LEU A 46 -13.269 -23.683 -3.389 1.00 1.35 C ATOM 676 O LEU A 46 -13.673 -24.385 -2.462 1.00 1.77 O ATOM 677 CB LEU A 46 -10.982 -23.748 -2.374 1.00 1.50 C ATOM 678 CG LEU A 46 -10.015 -24.930 -2.396 1.00 1.83 C ATOM 679 CD1 LEU A 46 -8.666 -24.525 -1.826 1.00 2.37 C ATOM 680 CD2 LEU A 46 -10.592 -26.103 -1.620 1.00 2.35 C ATOM 0 H LEU A 46 -12.089 -21.468 -3.864 1.00 1.21 H new ATOM 0 HA LEU A 46 -11.480 -24.282 -4.398 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -10.417 -22.841 -2.156 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -11.686 -23.890 -1.554 1.00 1.50 H new ATOM 0 HG LEU A 46 -9.871 -25.239 -3.431 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -7.990 -25.380 -1.850 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -8.247 -23.714 -2.423 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -8.792 -24.190 -0.796 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -9.890 -26.937 -1.646 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -10.764 -25.806 -0.586 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -11.536 -26.409 -2.071 1.00 2.35 H new ATOM 692 N LYS A 47 -14.085 -23.018 -4.202 1.00 1.23 N ATOM 693 CA LYS A 47 -15.535 -23.072 -4.048 1.00 1.28 C ATOM 694 C LYS A 47 -16.172 -23.948 -5.123 1.00 1.27 C ATOM 695 O LYS A 47 -15.514 -24.349 -6.083 1.00 1.27 O ATOM 696 CB LYS A 47 -16.125 -21.661 -4.109 1.00 1.30 C ATOM 697 CG LYS A 47 -16.099 -20.932 -2.776 1.00 1.49 C ATOM 698 CD LYS A 47 -17.463 -20.941 -2.109 1.00 1.72 C ATOM 699 CE LYS A 47 -17.420 -20.275 -0.744 1.00 1.61 C ATOM 700 NZ LYS A 47 -18.784 -20.013 -0.211 1.00 2.27 N ATOM 0 H LYS A 47 -13.766 -22.435 -4.975 1.00 1.23 H new ATOM 0 HA LYS A 47 -15.753 -23.513 -3.075 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -15.572 -21.076 -4.844 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -17.155 -21.722 -4.460 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -15.368 -21.402 -2.118 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -15.775 -19.903 -2.929 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -18.183 -20.425 -2.744 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -17.810 -21.969 -2.003 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -16.874 -20.911 -0.047 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -16.872 -19.336 -0.816 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -18.711 -19.558 0.721 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -19.297 -19.386 -0.863 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -19.299 -20.912 -0.118 1.00 2.27 H new ATOM 714 N ALA A 48 -17.459 -24.240 -4.951 1.00 1.33 N ATOM 715 CA ALA A 48 -18.194 -25.068 -5.901 1.00 1.38 C ATOM 716 C ALA A 48 -18.274 -24.400 -7.269 1.00 1.18 C ATOM 717 O ALA A 48 -18.241 -25.073 -8.300 1.00 1.05 O ATOM 718 CB ALA A 48 -19.590 -25.362 -5.373 1.00 1.64 C ATOM 0 H ALA A 48 -18.015 -23.914 -4.160 1.00 1.33 H new ATOM 0 HA ALA A 48 -17.654 -26.008 -6.018 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -20.128 -25.981 -6.091 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -19.516 -25.891 -4.423 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -20.128 -24.426 -5.226 1.00 1.64 H new ATOM 724 N MET A 49 -18.384 -23.075 -7.272 1.00 1.20 N ATOM 725 CA MET A 49 -18.465 -22.317 -8.516 1.00 1.09 C ATOM 726 C MET A 49 -17.231 -22.564 -9.376 1.00 0.94 C ATOM 727 O MET A 49 -17.302 -22.549 -10.605 1.00 0.85 O ATOM 728 CB MET A 49 -18.608 -20.824 -8.222 1.00 1.22 C ATOM 729 CG MET A 49 -18.839 -19.980 -9.465 1.00 1.35 C ATOM 730 SD MET A 49 -19.763 -18.473 -9.115 1.00 1.95 S ATOM 731 CE MET A 49 -20.815 -18.377 -10.561 1.00 2.58 C ATOM 0 H MET A 49 -18.419 -22.504 -6.427 1.00 1.20 H new ATOM 0 HA MET A 49 -19.345 -22.654 -9.064 1.00 1.09 H new ATOM 0 HB2 MET A 49 -19.439 -20.676 -7.532 1.00 1.22 H new ATOM 0 HB3 MET A 49 -17.708 -20.474 -7.717 1.00 1.22 H new ATOM 0 HG2 MET A 49 -17.877 -19.718 -9.906 1.00 1.35 H new ATOM 0 HG3 MET A 49 -19.379 -20.570 -10.205 1.00 1.35 H new ATOM 0 HE1 MET A 49 -21.449 -17.493 -10.492 1.00 2.58 H new ATOM 0 HE2 MET A 49 -20.197 -18.311 -11.457 1.00 2.58 H new ATOM 0 HE3 MET A 49 -21.440 -19.268 -10.616 1.00 2.58 H new ATOM 741 N ALA A 50 -16.100 -22.792 -8.717 1.00 0.96 N ATOM 742 CA ALA A 50 -14.849 -23.049 -9.413 1.00 0.90 C ATOM 743 C ALA A 50 -14.840 -24.453 -10.000 1.00 0.84 C ATOM 744 O ALA A 50 -14.483 -24.648 -11.162 1.00 0.80 O ATOM 745 CB ALA A 50 -13.675 -22.860 -8.471 1.00 1.06 C ATOM 0 H ALA A 50 -16.026 -22.804 -7.700 1.00 0.96 H new ATOM 0 HA ALA A 50 -14.757 -22.336 -10.232 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -12.745 -23.056 -9.005 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -13.670 -21.836 -8.096 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -13.765 -23.552 -7.634 1.00 1.06 H new ATOM 751 N VAL A 51 -15.232 -25.429 -9.185 1.00 0.90 N ATOM 752 CA VAL A 51 -15.285 -26.815 -9.629 1.00 0.92 C ATOM 753 C VAL A 51 -16.196 -26.941 -10.841 1.00 0.84 C ATOM 754 O VAL A 51 -15.950 -27.748 -11.737 1.00 0.85 O ATOM 755 CB VAL A 51 -15.793 -27.751 -8.514 1.00 1.07 C ATOM 756 CG1 VAL A 51 -15.633 -29.207 -8.925 1.00 1.17 C ATOM 757 CG2 VAL A 51 -15.062 -27.476 -7.208 1.00 1.46 C ATOM 0 H VAL A 51 -15.517 -25.284 -8.216 1.00 0.90 H new ATOM 0 HA VAL A 51 -14.270 -27.113 -9.892 1.00 0.92 H new ATOM 0 HB VAL A 51 -16.854 -27.555 -8.357 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -15.997 -29.853 -8.126 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -16.207 -29.394 -9.832 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -14.580 -29.419 -9.112 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -15.435 -28.147 -6.434 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -13.994 -27.641 -7.347 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -15.233 -26.443 -6.906 1.00 1.46 H new ATOM 767 N ALA A 52 -17.250 -26.129 -10.860 1.00 0.84 N ATOM 768 CA ALA A 52 -18.197 -26.133 -11.965 1.00 0.85 C ATOM 769 C ALA A 52 -17.520 -25.657 -13.241 1.00 0.77 C ATOM 770 O ALA A 52 -17.711 -26.235 -14.309 1.00 0.83 O ATOM 771 CB ALA A 52 -19.398 -25.259 -11.636 1.00 0.97 C ATOM 0 H ALA A 52 -17.467 -25.461 -10.121 1.00 0.84 H new ATOM 0 HA ALA A 52 -18.548 -27.153 -12.121 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -20.097 -25.272 -12.472 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -19.893 -25.641 -10.743 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -19.066 -24.236 -11.457 1.00 0.97 H new ATOM 777 N ALA A 53 -16.723 -24.599 -13.119 1.00 0.72 N ATOM 778 CA ALA A 53 -16.004 -24.047 -14.258 1.00 0.74 C ATOM 779 C ALA A 53 -14.953 -25.033 -14.754 1.00 0.73 C ATOM 780 O ALA A 53 -14.579 -25.024 -15.926 1.00 0.93 O ATOM 781 CB ALA A 53 -15.353 -22.724 -13.882 1.00 0.82 C ATOM 0 H ALA A 53 -16.560 -24.108 -12.240 1.00 0.72 H new ATOM 0 HA ALA A 53 -16.717 -23.868 -15.063 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -14.819 -22.323 -14.744 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -16.121 -22.016 -13.570 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -14.652 -22.883 -13.063 1.00 0.82 H new ATOM 787 N GLN A 54 -14.485 -25.885 -13.847 1.00 0.71 N ATOM 788 CA GLN A 54 -13.480 -26.886 -14.179 1.00 0.83 C ATOM 789 C GLN A 54 -14.085 -28.001 -15.022 1.00 0.88 C ATOM 790 O GLN A 54 -13.499 -28.433 -16.015 1.00 1.07 O ATOM 791 CB GLN A 54 -12.876 -27.472 -12.902 1.00 0.99 C ATOM 792 CG GLN A 54 -11.458 -27.003 -12.630 1.00 1.27 C ATOM 793 CD GLN A 54 -10.569 -28.106 -12.094 1.00 1.30 C ATOM 794 OE1 GLN A 54 -9.592 -28.495 -12.732 1.00 1.76 O ATOM 795 NE2 GLN A 54 -10.902 -28.617 -10.915 1.00 1.86 N ATOM 0 H GLN A 54 -14.788 -25.901 -12.873 1.00 0.71 H new ATOM 0 HA GLN A 54 -12.694 -26.400 -14.757 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -13.507 -27.204 -12.055 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -12.883 -28.560 -12.973 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -11.027 -26.610 -13.551 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -11.483 -26.182 -11.914 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -11.721 -28.265 -10.419 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -10.339 -29.362 -10.505 1.00 1.86 H new ATOM 804 N VAL A 55 -15.264 -28.462 -14.617 1.00 0.88 N ATOM 805 CA VAL A 55 -15.958 -29.530 -15.327 1.00 0.98 C ATOM 806 C VAL A 55 -16.612 -29.012 -16.604 1.00 0.96 C ATOM 807 O VAL A 55 -16.814 -29.762 -17.560 1.00 1.10 O ATOM 808 CB VAL A 55 -17.039 -30.179 -14.442 1.00 1.13 C ATOM 809 CG1 VAL A 55 -17.560 -31.455 -15.082 1.00 1.82 C ATOM 810 CG2 VAL A 55 -16.495 -30.459 -13.048 1.00 1.36 C ATOM 0 H VAL A 55 -15.760 -28.111 -13.798 1.00 0.88 H new ATOM 0 HA VAL A 55 -15.207 -30.277 -15.584 1.00 0.98 H new ATOM 0 HB VAL A 55 -17.870 -29.480 -14.349 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -18.323 -31.898 -14.442 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -17.993 -31.223 -16.055 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -16.738 -32.160 -15.209 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -17.274 -30.917 -12.439 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -15.644 -31.136 -13.119 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -16.177 -29.524 -12.587 1.00 1.36 H new ATOM 820 N HIS A 56 -16.940 -27.725 -16.612 1.00 0.95 N ATOM 821 CA HIS A 56 -17.576 -27.098 -17.766 1.00 1.02 C ATOM 822 C HIS A 56 -16.560 -26.813 -18.867 1.00 0.97 C ATOM 823 O HIS A 56 -16.901 -26.245 -19.904 1.00 1.30 O ATOM 824 CB HIS A 56 -18.254 -25.793 -17.345 1.00 1.22 C ATOM 825 CG HIS A 56 -19.593 -25.573 -17.976 1.00 1.39 C ATOM 826 ND1 HIS A 56 -19.852 -25.831 -19.304 1.00 1.92 N ATOM 827 CD2 HIS A 56 -20.752 -25.110 -17.451 1.00 1.81 C ATOM 828 CE1 HIS A 56 -21.112 -25.535 -19.570 1.00 1.97 C ATOM 829 NE2 HIS A 56 -21.680 -25.096 -18.462 1.00 1.97 N ATOM 0 H HIS A 56 -16.775 -27.093 -15.829 1.00 0.95 H new ATOM 0 HA HIS A 56 -18.323 -27.790 -18.156 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -18.369 -25.788 -16.261 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -17.602 -24.958 -17.600 1.00 1.22 H new ATOM 0 HD1 HIS A 56 -19.177 -26.194 -19.977 1.00 1.92 H new ATOM 0 HD2 HIS A 56 -20.916 -24.808 -16.427 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -21.595 -25.635 -20.531 1.00 1.97 H new ATOM 838 N ARG A 57 -15.313 -27.215 -18.639 1.00 0.98 N ATOM 839 CA ARG A 57 -14.248 -26.983 -19.608 1.00 1.19 C ATOM 840 C ARG A 57 -13.410 -28.239 -19.831 1.00 1.33 C ATOM 841 O ARG A 57 -12.377 -28.193 -20.496 1.00 2.17 O ATOM 842 CB ARG A 57 -13.356 -25.838 -19.126 1.00 1.33 C ATOM 843 CG ARG A 57 -12.445 -25.267 -20.200 1.00 1.79 C ATOM 844 CD ARG A 57 -13.221 -24.454 -21.221 1.00 1.88 C ATOM 845 NE ARG A 57 -12.409 -24.139 -22.390 1.00 2.28 N ATOM 846 CZ ARG A 57 -12.555 -24.732 -23.569 1.00 2.79 C ATOM 847 NH1 ARG A 57 -13.485 -25.662 -23.736 1.00 3.10 N ATOM 848 NH2 ARG A 57 -11.774 -24.394 -24.585 1.00 3.57 N ATOM 0 H ARG A 57 -15.016 -27.702 -17.793 1.00 0.98 H new ATOM 0 HA ARG A 57 -14.707 -26.717 -20.560 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -13.987 -25.039 -18.737 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -12.744 -26.193 -18.297 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -11.685 -24.638 -19.736 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -11.922 -26.080 -20.704 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -14.106 -25.009 -21.532 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -13.570 -23.530 -20.761 1.00 1.88 H new ATOM 0 HE ARG A 57 -11.688 -23.423 -22.297 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -14.090 -25.923 -22.958 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -13.595 -26.116 -24.643 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -11.059 -23.677 -24.462 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -11.888 -24.851 -25.490 1.00 3.57 H new ATOM 862 N GLU A 58 -13.859 -29.358 -19.271 1.00 1.21 N ATOM 863 CA GLU A 58 -13.150 -30.629 -19.413 1.00 1.40 C ATOM 864 C GLU A 58 -11.818 -30.608 -18.666 1.00 1.22 C ATOM 865 O GLU A 58 -10.767 -30.892 -19.241 1.00 1.68 O ATOM 866 CB GLU A 58 -12.913 -30.948 -20.890 1.00 1.88 C ATOM 867 CG GLU A 58 -13.093 -32.413 -21.232 1.00 2.68 C ATOM 868 CD GLU A 58 -13.855 -32.612 -22.523 1.00 3.16 C ATOM 869 OE1 GLU A 58 -13.262 -32.396 -23.600 1.00 3.53 O ATOM 870 OE2 GLU A 58 -15.045 -32.980 -22.457 1.00 3.64 O ATOM 0 H GLU A 58 -14.712 -29.412 -18.714 1.00 1.21 H new ATOM 0 HA GLU A 58 -13.776 -31.407 -18.975 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -13.599 -30.356 -21.495 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -11.903 -30.642 -21.161 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -12.115 -32.888 -21.313 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -13.623 -32.911 -20.420 1.00 2.68 H new ATOM 877 N TYR A 59 -11.876 -30.271 -17.382 1.00 1.26 N ATOM 878 CA TYR A 59 -10.683 -30.221 -16.541 1.00 1.40 C ATOM 879 C TYR A 59 -9.638 -29.263 -17.098 1.00 1.33 C ATOM 880 O TYR A 59 -8.760 -29.666 -17.861 1.00 1.82 O ATOM 881 CB TYR A 59 -10.069 -31.614 -16.402 1.00 1.93 C ATOM 882 CG TYR A 59 -11.066 -32.678 -16.019 1.00 2.42 C ATOM 883 CD1 TYR A 59 -11.551 -32.765 -14.722 1.00 2.98 C ATOM 884 CD2 TYR A 59 -11.524 -33.594 -16.956 1.00 2.85 C ATOM 885 CE1 TYR A 59 -12.464 -33.738 -14.368 1.00 3.65 C ATOM 886 CE2 TYR A 59 -12.437 -34.570 -16.610 1.00 3.50 C ATOM 887 CZ TYR A 59 -12.903 -34.637 -15.315 1.00 3.80 C ATOM 888 OH TYR A 59 -13.812 -35.609 -14.966 1.00 4.58 O ATOM 0 H TYR A 59 -12.740 -30.027 -16.898 1.00 1.26 H new ATOM 0 HA TYR A 59 -10.995 -29.857 -15.562 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -9.600 -31.891 -17.346 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -9.280 -31.581 -15.651 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -11.209 -32.061 -13.978 1.00 2.98 H new ATOM 0 HD2 TYR A 59 -11.160 -33.542 -17.972 1.00 2.85 H new ATOM 0 HE1 TYR A 59 -12.832 -33.794 -13.354 1.00 3.65 H new ATOM 0 HE2 TYR A 59 -12.784 -35.276 -17.350 1.00 3.50 H new ATOM 0 HH TYR A 59 -14.018 -36.160 -15.750 1.00 4.58 H new ATOM 898 N GLN A 60 -9.733 -27.996 -16.715 1.00 1.24 N ATOM 899 CA GLN A 60 -8.773 -26.998 -17.166 1.00 1.28 C ATOM 900 C GLN A 60 -7.411 -27.289 -16.560 1.00 1.38 C ATOM 901 O GLN A 60 -6.378 -26.989 -17.156 1.00 1.94 O ATOM 902 CB GLN A 60 -9.225 -25.594 -16.772 1.00 1.68 C ATOM 903 CG GLN A 60 -10.700 -25.340 -17.019 1.00 1.83 C ATOM 904 CD GLN A 60 -11.330 -24.464 -15.956 1.00 2.07 C ATOM 905 OE1 GLN A 60 -10.890 -24.625 -14.715 1.00 2.80 O flip ATOM 906 NE2 GLN A 60 -12.204 -23.653 -16.248 1.00 2.27 N flip ATOM 0 H GLN A 60 -10.461 -27.637 -16.097 1.00 1.24 H new ATOM 0 HA GLN A 60 -8.707 -27.046 -18.253 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -9.009 -25.435 -15.715 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -8.640 -24.863 -17.330 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -10.825 -24.868 -17.993 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -11.227 -26.293 -17.057 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -12.513 -23.562 -17.216 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -12.622 -23.070 -15.523 1.00 2.27 H new ATOM 915 N VAL A 61 -7.433 -27.881 -15.366 1.00 1.49 N ATOM 916 CA VAL A 61 -6.218 -28.239 -14.642 1.00 1.90 C ATOM 917 C VAL A 61 -5.425 -27.006 -14.218 1.00 2.03 C ATOM 918 O VAL A 61 -5.392 -26.657 -13.039 1.00 2.77 O ATOM 919 CB VAL A 61 -5.308 -29.166 -15.472 1.00 2.42 C ATOM 920 CG1 VAL A 61 -4.139 -29.660 -14.634 1.00 3.13 C ATOM 921 CG2 VAL A 61 -6.104 -30.338 -16.028 1.00 2.70 C ATOM 0 H VAL A 61 -8.294 -28.125 -14.876 1.00 1.49 H new ATOM 0 HA VAL A 61 -6.545 -28.772 -13.749 1.00 1.90 H new ATOM 0 HB VAL A 61 -4.909 -28.595 -16.310 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -3.509 -30.313 -15.238 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -3.553 -28.808 -14.288 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -4.516 -30.214 -13.774 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -5.445 -30.981 -16.611 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -6.534 -30.909 -15.205 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -6.904 -29.964 -16.667 1.00 2.70 H new ATOM 931 N GLU A 62 -4.787 -26.352 -15.181 1.00 1.77 N ATOM 932 CA GLU A 62 -3.980 -25.174 -14.894 1.00 2.15 C ATOM 933 C GLU A 62 -4.769 -23.877 -15.037 1.00 1.95 C ATOM 934 O GLU A 62 -5.287 -23.346 -14.056 1.00 2.59 O ATOM 935 CB GLU A 62 -2.759 -25.138 -15.814 1.00 2.85 C ATOM 936 CG GLU A 62 -1.599 -25.981 -15.314 1.00 3.27 C ATOM 937 CD GLU A 62 -1.302 -25.745 -13.848 1.00 4.00 C ATOM 938 OE1 GLU A 62 -0.996 -24.591 -13.484 1.00 4.41 O ATOM 939 OE2 GLU A 62 -1.384 -26.712 -13.064 1.00 4.56 O ATOM 0 H GLU A 62 -4.813 -26.617 -16.166 1.00 1.77 H new ATOM 0 HA GLU A 62 -3.662 -25.250 -13.854 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -3.050 -25.486 -16.805 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -2.427 -24.106 -15.924 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -1.826 -27.036 -15.470 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -0.710 -25.756 -15.903 1.00 3.27 H new ATOM 946 N LEU A 63 -4.857 -23.370 -16.262 1.00 1.62 N ATOM 947 CA LEU A 63 -5.553 -22.115 -16.515 1.00 1.78 C ATOM 948 C LEU A 63 -6.954 -22.336 -17.083 1.00 1.53 C ATOM 949 O LEU A 63 -7.143 -23.154 -17.984 1.00 1.50 O ATOM 950 CB LEU A 63 -4.747 -21.247 -17.485 1.00 2.34 C ATOM 951 CG LEU A 63 -3.300 -21.690 -17.717 1.00 2.46 C ATOM 952 CD1 LEU A 63 -2.876 -21.392 -19.145 1.00 2.93 C ATOM 953 CD2 LEU A 63 -2.371 -21.003 -16.730 1.00 3.01 C ATOM 0 H LEU A 63 -4.457 -23.807 -17.092 1.00 1.62 H new ATOM 0 HA LEU A 63 -5.654 -21.608 -15.555 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -5.262 -21.231 -18.445 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -4.740 -20.224 -17.110 1.00 2.34 H new ATOM 0 HG LEU A 63 -3.237 -22.766 -17.557 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -1.845 -21.713 -19.293 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -3.526 -21.928 -19.837 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -2.953 -20.321 -19.331 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -1.346 -21.328 -16.908 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -2.436 -19.923 -16.860 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -2.663 -21.264 -15.713 1.00 3.01 H new ATOM 965 N PRO A 64 -7.959 -21.603 -16.561 1.00 1.52 N ATOM 966 CA PRO A 64 -9.332 -21.697 -17.036 1.00 1.44 C ATOM 967 C PRO A 64 -9.581 -20.733 -18.194 1.00 1.43 C ATOM 968 O PRO A 64 -10.449 -19.864 -18.123 1.00 1.89 O ATOM 969 CB PRO A 64 -10.136 -21.296 -15.803 1.00 1.66 C ATOM 970 CG PRO A 64 -9.268 -20.322 -15.076 1.00 1.91 C ATOM 971 CD PRO A 64 -7.839 -20.629 -15.458 1.00 1.79 C ATOM 0 HA PRO A 64 -9.592 -22.682 -17.423 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -11.088 -20.845 -16.082 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -10.364 -22.162 -15.182 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -9.528 -19.298 -15.346 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -9.407 -20.412 -13.999 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -7.310 -19.731 -15.776 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -7.283 -21.045 -14.618 1.00 1.79 H new ATOM 979 N LEU A 65 -8.799 -20.898 -19.257 1.00 1.22 N ATOM 980 CA LEU A 65 -8.895 -20.046 -20.438 1.00 1.24 C ATOM 981 C LEU A 65 -10.302 -20.032 -21.027 1.00 1.19 C ATOM 982 O LEU A 65 -10.819 -21.067 -21.447 1.00 1.82 O ATOM 983 CB LEU A 65 -7.902 -20.516 -21.501 1.00 1.39 C ATOM 984 CG LEU A 65 -7.139 -19.403 -22.217 1.00 1.86 C ATOM 985 CD1 LEU A 65 -5.935 -18.969 -21.398 1.00 2.46 C ATOM 986 CD2 LEU A 65 -6.706 -19.861 -23.601 1.00 2.34 C ATOM 0 H LEU A 65 -8.084 -21.623 -19.324 1.00 1.22 H new ATOM 0 HA LEU A 65 -8.656 -19.030 -20.124 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -7.181 -21.185 -21.031 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -8.441 -21.102 -22.245 1.00 1.39 H new ATOM 0 HG LEU A 65 -7.804 -18.547 -22.329 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -5.404 -18.176 -21.924 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -6.268 -18.601 -20.428 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -5.268 -19.819 -21.254 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -6.164 -19.056 -24.097 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -6.058 -20.733 -23.510 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -7.585 -20.123 -24.189 1.00 2.34 H new ATOM 998 N LYS A 66 -10.904 -18.846 -21.059 1.00 0.89 N ATOM 999 CA LYS A 66 -12.244 -18.663 -21.612 1.00 0.89 C ATOM 1000 C LYS A 66 -13.224 -19.711 -21.100 1.00 0.88 C ATOM 1001 O LYS A 66 -13.474 -20.717 -21.765 1.00 1.21 O ATOM 1002 CB LYS A 66 -12.190 -18.710 -23.139 1.00 1.03 C ATOM 1003 CG LYS A 66 -11.471 -17.525 -23.756 1.00 1.47 C ATOM 1004 CD LYS A 66 -12.383 -16.745 -24.687 1.00 1.62 C ATOM 1005 CE LYS A 66 -11.584 -15.952 -25.706 1.00 1.99 C ATOM 1006 NZ LYS A 66 -11.091 -16.812 -26.816 1.00 2.42 N ATOM 0 H LYS A 66 -10.480 -17.989 -20.705 1.00 0.89 H new ATOM 0 HA LYS A 66 -12.601 -17.687 -21.283 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -11.692 -19.629 -23.449 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -13.207 -18.751 -23.529 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -11.107 -16.868 -22.967 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -10.598 -17.874 -24.308 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -13.053 -17.432 -25.203 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -13.007 -16.068 -24.104 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -12.205 -15.154 -26.113 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -10.737 -15.476 -25.212 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -10.234 -16.391 -27.227 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -10.870 -17.760 -26.449 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -11.825 -16.888 -27.549 1.00 2.42 H new ATOM 1020 N VAL A 67 -13.781 -19.468 -19.922 1.00 0.96 N ATOM 1021 CA VAL A 67 -14.743 -20.388 -19.335 1.00 1.08 C ATOM 1022 C VAL A 67 -15.659 -19.668 -18.349 1.00 1.15 C ATOM 1023 O VAL A 67 -16.873 -19.869 -18.364 1.00 1.70 O ATOM 1024 CB VAL A 67 -14.045 -21.572 -18.633 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -13.195 -21.088 -17.472 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -15.068 -22.594 -18.165 1.00 2.11 C ATOM 0 H VAL A 67 -13.583 -18.643 -19.355 1.00 0.96 H new ATOM 0 HA VAL A 67 -15.345 -20.783 -20.153 1.00 1.08 H new ATOM 0 HB VAL A 67 -13.385 -22.055 -19.354 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -12.713 -21.941 -16.993 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -12.433 -20.401 -17.840 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -13.827 -20.575 -16.748 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -14.557 -23.421 -17.673 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -15.757 -22.124 -17.463 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -15.625 -22.971 -19.023 1.00 2.11 H new ATOM 1036 N LEU A 68 -15.074 -18.818 -17.503 1.00 1.00 N ATOM 1037 CA LEU A 68 -15.847 -18.070 -16.515 1.00 1.15 C ATOM 1038 C LEU A 68 -14.958 -17.138 -15.699 1.00 1.14 C ATOM 1039 O LEU A 68 -15.344 -16.010 -15.393 1.00 1.53 O ATOM 1040 CB LEU A 68 -16.580 -19.025 -15.571 1.00 1.35 C ATOM 1041 CG LEU A 68 -18.080 -18.768 -15.432 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -18.873 -19.983 -15.886 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -18.428 -18.409 -13.996 1.00 2.02 C ATOM 0 H LEU A 68 -14.071 -18.632 -17.483 1.00 1.00 H new ATOM 0 HA LEU A 68 -16.573 -17.468 -17.061 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -16.432 -20.046 -15.924 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -16.122 -18.960 -14.584 1.00 1.35 H new ATOM 0 HG LEU A 68 -18.346 -17.926 -16.071 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -19.939 -19.782 -15.780 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -18.646 -20.196 -16.931 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -18.603 -20.843 -15.273 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -19.500 -18.229 -13.915 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -18.147 -19.231 -13.337 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -17.886 -17.509 -13.704 1.00 2.02 H new ATOM 1055 N PHE A 69 -13.766 -17.611 -15.349 1.00 1.04 N ATOM 1056 CA PHE A 69 -12.841 -16.817 -14.548 1.00 1.16 C ATOM 1057 C PHE A 69 -11.885 -16.003 -15.415 1.00 1.15 C ATOM 1058 O PHE A 69 -11.765 -14.794 -15.243 1.00 1.87 O ATOM 1059 CB PHE A 69 -12.044 -17.721 -13.603 1.00 1.30 C ATOM 1060 CG PHE A 69 -12.884 -18.419 -12.566 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -13.973 -17.786 -11.983 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -12.579 -19.711 -12.172 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -14.738 -18.430 -11.029 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -13.340 -20.358 -11.217 1.00 1.81 C ATOM 1065 CZ PHE A 69 -14.421 -19.717 -10.646 1.00 1.60 C ATOM 0 H PHE A 69 -13.419 -18.535 -15.606 1.00 1.04 H new ATOM 0 HA PHE A 69 -13.439 -16.116 -13.965 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -11.517 -18.471 -14.193 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -11.286 -17.122 -13.098 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -14.226 -16.778 -12.278 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -11.736 -20.219 -12.616 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -15.583 -17.926 -10.584 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -13.089 -21.365 -10.917 1.00 1.81 H new ATOM 0 HZ PHE A 69 -15.018 -20.222 -9.901 1.00 1.60 H new ATOM 1075 N ALA A 70 -11.206 -16.667 -16.343 1.00 0.92 N ATOM 1076 CA ALA A 70 -10.248 -15.991 -17.216 1.00 0.94 C ATOM 1077 C ALA A 70 -10.944 -15.142 -18.279 1.00 0.91 C ATOM 1078 O ALA A 70 -10.931 -15.485 -19.462 1.00 1.09 O ATOM 1079 CB ALA A 70 -9.322 -17.008 -17.866 1.00 1.03 C ATOM 0 H ALA A 70 -11.299 -17.669 -16.512 1.00 0.92 H new ATOM 0 HA ALA A 70 -9.658 -15.315 -16.598 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -8.613 -16.493 -18.514 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -8.779 -17.551 -17.093 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -9.910 -17.710 -18.457 1.00 1.03 H new ATOM 1085 N GLN A 71 -11.537 -14.027 -17.846 1.00 1.05 N ATOM 1086 CA GLN A 71 -12.238 -13.110 -18.746 1.00 1.14 C ATOM 1087 C GLN A 71 -12.890 -11.971 -17.954 1.00 1.04 C ATOM 1088 O GLN A 71 -13.791 -12.214 -17.151 1.00 1.19 O ATOM 1089 CB GLN A 71 -13.311 -13.850 -19.549 1.00 1.43 C ATOM 1090 CG GLN A 71 -12.966 -14.017 -21.020 1.00 1.89 C ATOM 1091 CD GLN A 71 -13.416 -12.842 -21.863 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -12.714 -11.723 -21.742 1.00 2.96 O flip ATOM 1093 NE2 GLN A 71 -14.383 -12.940 -22.617 1.00 3.23 N flip ATOM 0 H GLN A 71 -11.545 -13.736 -16.868 1.00 1.05 H new ATOM 0 HA GLN A 71 -11.503 -12.694 -19.435 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -13.468 -14.834 -19.108 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -14.253 -13.309 -19.465 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -11.888 -14.142 -21.124 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -13.431 -14.928 -21.397 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -14.894 -13.820 -22.679 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -14.673 -12.141 -23.181 1.00 3.23 H new ATOM 1102 N PRO A 72 -12.443 -10.712 -18.159 1.00 1.11 N ATOM 1103 CA PRO A 72 -13.003 -9.552 -17.452 1.00 1.26 C ATOM 1104 C PRO A 72 -14.365 -9.124 -17.998 1.00 1.21 C ATOM 1105 O PRO A 72 -14.638 -7.933 -18.148 1.00 1.62 O ATOM 1106 CB PRO A 72 -11.964 -8.459 -17.697 1.00 1.60 C ATOM 1107 CG PRO A 72 -11.352 -8.814 -19.006 1.00 1.77 C ATOM 1108 CD PRO A 72 -11.349 -10.318 -19.072 1.00 1.38 C ATOM 0 HA PRO A 72 -13.182 -9.769 -16.399 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -12.426 -7.472 -17.729 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -11.218 -8.436 -16.903 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -11.923 -8.389 -19.831 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -10.339 -8.419 -19.083 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -11.527 -10.674 -20.087 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -10.392 -10.731 -18.752 1.00 1.38 H new ATOM 1116 N THR A 73 -15.211 -10.101 -18.300 1.00 1.29 N ATOM 1117 CA THR A 73 -16.548 -9.832 -18.817 1.00 1.40 C ATOM 1118 C THR A 73 -17.461 -11.026 -18.564 1.00 1.25 C ATOM 1119 O THR A 73 -17.785 -11.785 -19.478 1.00 1.55 O ATOM 1120 CB THR A 73 -16.524 -9.510 -20.324 1.00 1.86 C ATOM 1121 OG1 THR A 73 -15.202 -9.132 -20.725 1.00 2.46 O ATOM 1122 CG2 THR A 73 -17.495 -8.385 -20.649 1.00 2.01 C ATOM 0 H THR A 73 -14.994 -11.092 -18.195 1.00 1.29 H new ATOM 0 HA THR A 73 -16.932 -8.958 -18.290 1.00 1.40 H new ATOM 0 HB THR A 73 -16.827 -10.404 -20.869 1.00 1.86 H new ATOM 0 HG1 THR A 73 -15.196 -8.931 -21.684 1.00 2.46 H new ATOM 0 HG21 THR A 73 -17.462 -8.174 -21.718 1.00 2.01 H new ATOM 0 HG22 THR A 73 -18.505 -8.684 -20.369 1.00 2.01 H new ATOM 0 HG23 THR A 73 -17.214 -7.490 -20.093 1.00 2.01 H new ATOM 1130 N ILE A 74 -17.868 -11.183 -17.309 1.00 1.12 N ATOM 1131 CA ILE A 74 -18.728 -12.290 -16.904 1.00 1.13 C ATOM 1132 C ILE A 74 -20.012 -12.357 -17.727 1.00 1.08 C ATOM 1133 O ILE A 74 -20.456 -13.442 -18.098 1.00 1.12 O ATOM 1134 CB ILE A 74 -19.096 -12.195 -15.412 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -17.846 -11.936 -14.569 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -19.791 -13.469 -14.957 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -17.790 -10.544 -13.980 1.00 2.08 C ATOM 0 H ILE A 74 -17.614 -10.552 -16.549 1.00 1.12 H new ATOM 0 HA ILE A 74 -18.154 -13.199 -17.082 1.00 1.13 H new ATOM 0 HB ILE A 74 -19.782 -11.359 -15.276 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -17.806 -12.666 -13.760 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -16.962 -12.096 -15.186 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -20.045 -13.387 -13.900 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -20.701 -13.615 -15.539 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -19.125 -14.319 -15.105 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -16.877 -10.433 -13.395 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -17.798 -9.808 -14.784 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -18.655 -10.387 -13.336 1.00 2.08 H new ATOM 1149 N LYS A 75 -20.609 -11.202 -18.007 1.00 1.07 N ATOM 1150 CA LYS A 75 -21.849 -11.158 -18.778 1.00 1.12 C ATOM 1151 C LYS A 75 -21.643 -11.714 -20.184 1.00 1.02 C ATOM 1152 O LYS A 75 -22.561 -12.282 -20.776 1.00 1.06 O ATOM 1153 CB LYS A 75 -22.392 -9.728 -18.845 1.00 1.25 C ATOM 1154 CG LYS A 75 -21.615 -8.816 -19.780 1.00 1.80 C ATOM 1155 CD LYS A 75 -22.342 -8.623 -21.100 1.00 2.44 C ATOM 1156 CE LYS A 75 -23.489 -7.636 -20.963 1.00 3.14 C ATOM 1157 NZ LYS A 75 -24.544 -7.869 -21.986 1.00 3.80 N ATOM 0 H LYS A 75 -20.258 -10.290 -17.714 1.00 1.07 H new ATOM 0 HA LYS A 75 -22.581 -11.785 -18.269 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -23.433 -9.760 -19.167 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -22.381 -9.299 -17.843 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -21.462 -7.848 -19.302 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -20.628 -9.239 -19.965 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -21.641 -8.266 -21.854 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -22.725 -9.582 -21.450 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -23.924 -7.720 -19.967 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -23.107 -6.620 -21.060 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -25.309 -7.176 -21.860 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -24.135 -7.764 -22.936 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -24.926 -8.830 -21.878 1.00 3.80 H new ATOM 1171 N ALA A 76 -20.435 -11.547 -20.712 1.00 0.97 N ATOM 1172 CA ALA A 76 -20.113 -12.038 -22.045 1.00 0.98 C ATOM 1173 C ALA A 76 -20.152 -13.562 -22.083 1.00 0.91 C ATOM 1174 O ALA A 76 -20.772 -14.156 -22.965 1.00 0.97 O ATOM 1175 CB ALA A 76 -18.748 -11.526 -22.479 1.00 1.08 C ATOM 0 H ALA A 76 -19.665 -11.076 -20.237 1.00 0.97 H new ATOM 0 HA ALA A 76 -20.863 -11.663 -22.742 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -18.519 -11.900 -23.477 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -18.756 -10.436 -22.493 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -17.989 -11.874 -21.778 1.00 1.08 H new ATOM 1181 N LEU A 77 -19.484 -14.188 -21.117 1.00 0.91 N ATOM 1182 CA LEU A 77 -19.450 -15.643 -21.032 1.00 0.97 C ATOM 1183 C LEU A 77 -20.794 -16.184 -20.561 1.00 1.04 C ATOM 1184 O LEU A 77 -21.165 -17.313 -20.876 1.00 1.11 O ATOM 1185 CB LEU A 77 -18.349 -16.099 -20.074 1.00 1.15 C ATOM 1186 CG LEU A 77 -16.941 -15.620 -20.424 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -16.013 -15.798 -19.235 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -16.410 -16.374 -21.633 1.00 1.94 C ATOM 0 H LEU A 77 -18.960 -13.710 -20.384 1.00 0.91 H new ATOM 0 HA LEU A 77 -19.240 -16.034 -22.027 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -18.595 -15.750 -19.071 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -18.347 -17.188 -20.041 1.00 1.15 H new ATOM 0 HG LEU A 77 -16.985 -14.560 -20.672 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -15.013 -15.453 -19.499 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -16.387 -15.217 -18.392 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -15.972 -16.852 -18.960 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -15.406 -16.021 -21.870 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -16.377 -17.441 -21.411 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -17.066 -16.201 -22.486 1.00 1.94 H new ATOM 1200 N ALA A 78 -21.516 -15.365 -19.803 1.00 1.13 N ATOM 1201 CA ALA A 78 -22.819 -15.753 -19.278 1.00 1.34 C ATOM 1202 C ALA A 78 -23.795 -16.062 -20.406 1.00 1.34 C ATOM 1203 O ALA A 78 -24.647 -16.941 -20.279 1.00 1.53 O ATOM 1204 CB ALA A 78 -23.375 -14.655 -18.384 1.00 1.57 C ATOM 0 H ALA A 78 -21.219 -14.426 -19.538 1.00 1.13 H new ATOM 0 HA ALA A 78 -22.690 -16.659 -18.686 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -24.349 -14.958 -17.999 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -22.693 -14.483 -17.552 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -23.483 -13.736 -18.960 1.00 1.57 H new ATOM 1210 N GLN A 79 -23.663 -15.333 -21.509 1.00 1.27 N ATOM 1211 CA GLN A 79 -24.534 -15.527 -22.660 1.00 1.42 C ATOM 1212 C GLN A 79 -23.818 -16.297 -23.765 1.00 1.44 C ATOM 1213 O GLN A 79 -24.209 -16.234 -24.931 1.00 1.79 O ATOM 1214 CB GLN A 79 -25.015 -14.176 -23.189 1.00 1.53 C ATOM 1215 CG GLN A 79 -23.893 -13.304 -23.726 1.00 1.65 C ATOM 1216 CD GLN A 79 -24.306 -11.856 -23.884 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -24.925 -11.274 -22.993 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -23.964 -11.265 -25.022 1.00 2.74 N ATOM 0 H GLN A 79 -22.961 -14.603 -21.629 1.00 1.27 H new ATOM 0 HA GLN A 79 -25.395 -16.113 -22.339 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -25.746 -14.343 -23.980 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -25.528 -13.643 -22.389 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -23.038 -13.363 -23.052 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -23.566 -13.692 -24.691 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -23.451 -11.786 -25.733 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -24.214 -10.290 -25.185 1.00 2.74 H new ATOM 1227 N TYR A 80 -22.773 -17.030 -23.391 1.00 1.23 N ATOM 1228 CA TYR A 80 -22.007 -17.817 -24.352 1.00 1.38 C ATOM 1229 C TYR A 80 -21.831 -19.254 -23.869 1.00 1.39 C ATOM 1230 O TYR A 80 -22.413 -20.182 -24.430 1.00 1.59 O ATOM 1231 CB TYR A 80 -20.631 -17.181 -24.594 1.00 1.43 C ATOM 1232 CG TYR A 80 -20.572 -16.183 -25.741 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -21.592 -16.085 -26.685 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -19.479 -15.334 -25.875 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -21.521 -15.176 -27.723 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -19.403 -14.423 -26.911 1.00 2.18 C ATOM 1237 CZ TYR A 80 -20.426 -14.348 -27.831 1.00 2.42 C ATOM 1238 OH TYR A 80 -20.354 -13.441 -28.863 1.00 2.85 O ATOM 0 H TYR A 80 -22.438 -17.095 -22.430 1.00 1.23 H new ATOM 0 HA TYR A 80 -22.565 -17.831 -25.288 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -20.315 -16.679 -23.680 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -19.910 -17.975 -24.787 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -22.454 -16.731 -26.604 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -18.675 -15.388 -25.156 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -22.321 -15.115 -28.446 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -18.545 -13.772 -26.999 1.00 2.18 H new ATOM 0 HH TYR A 80 -19.519 -12.933 -28.794 1.00 2.85 H new ATOM 1248 N VAL A 81 -21.026 -19.430 -22.826 1.00 1.29 N ATOM 1249 CA VAL A 81 -20.769 -20.757 -22.275 1.00 1.39 C ATOM 1250 C VAL A 81 -21.713 -21.070 -21.119 1.00 1.35 C ATOM 1251 O VAL A 81 -22.187 -22.198 -20.983 1.00 1.49 O ATOM 1252 CB VAL A 81 -19.314 -20.895 -21.783 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -18.852 -22.341 -21.886 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -18.390 -19.977 -22.569 1.00 1.72 C ATOM 0 H VAL A 81 -20.541 -18.672 -22.346 1.00 1.29 H new ATOM 0 HA VAL A 81 -20.941 -21.467 -23.084 1.00 1.39 H new ATOM 0 HB VAL A 81 -19.276 -20.596 -20.735 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -17.823 -22.420 -21.535 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -19.494 -22.973 -21.273 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -18.907 -22.667 -22.925 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -17.369 -20.091 -22.205 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -18.430 -20.239 -23.626 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -18.708 -18.943 -22.439 1.00 1.72 H new ATOM 1264 N ALA A 82 -21.980 -20.067 -20.288 1.00 1.42 N ATOM 1265 CA ALA A 82 -22.865 -20.241 -19.142 1.00 1.52 C ATOM 1266 C ALA A 82 -24.320 -20.361 -19.578 1.00 1.59 C ATOM 1267 O ALA A 82 -25.170 -20.806 -18.806 1.00 1.90 O ATOM 1268 CB ALA A 82 -22.695 -19.094 -18.158 1.00 1.66 C ATOM 0 H ALA A 82 -21.597 -19.127 -20.387 1.00 1.42 H new ATOM 0 HA ALA A 82 -22.589 -21.171 -18.645 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -23.363 -19.241 -17.309 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -21.663 -19.066 -17.807 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -22.936 -18.153 -18.651 1.00 1.66 H new ATOM 1274 N THR A 83 -24.608 -19.954 -20.814 1.00 1.64 N ATOM 1275 CA THR A 83 -25.965 -20.042 -21.341 1.00 1.83 C ATOM 1276 C THR A 83 -26.466 -21.469 -21.245 1.00 2.01 C ATOM 1277 O THR A 83 -27.667 -21.710 -21.137 1.00 2.41 O ATOM 1278 CB THR A 83 -26.040 -19.597 -22.812 1.00 2.14 C ATOM 1279 OG1 THR A 83 -24.905 -18.796 -23.140 1.00 2.59 O ATOM 1280 CG2 THR A 83 -27.315 -18.813 -23.078 1.00 2.65 C ATOM 0 H THR A 83 -23.925 -19.564 -21.463 1.00 1.64 H new ATOM 0 HA THR A 83 -26.586 -19.375 -20.743 1.00 1.83 H new ATOM 0 HB THR A 83 -26.046 -20.490 -23.437 1.00 2.14 H new ATOM 0 HG1 THR A 83 -24.687 -18.911 -24.088 1.00 2.59 H new ATOM 0 HG21 THR A 83 -27.344 -18.510 -24.125 1.00 2.65 H new ATOM 0 HG22 THR A 83 -28.180 -19.439 -22.857 1.00 2.65 H new ATOM 0 HG23 THR A 83 -27.337 -17.927 -22.443 1.00 2.65 H new ATOM 1288 N ARG A 84 -25.521 -22.407 -21.281 1.00 2.19 N ATOM 1289 CA ARG A 84 -25.835 -23.823 -21.200 1.00 2.75 C ATOM 1290 C ARG A 84 -26.769 -24.221 -22.329 1.00 3.36 C ATOM 1291 O ARG A 84 -26.329 -24.718 -23.365 1.00 4.13 O ATOM 1292 CB ARG A 84 -26.469 -24.148 -19.847 1.00 3.41 C ATOM 1293 CG ARG A 84 -25.707 -25.196 -19.055 1.00 3.80 C ATOM 1294 CD ARG A 84 -25.753 -26.554 -19.735 1.00 4.57 C ATOM 1295 NE ARG A 84 -27.006 -26.767 -20.452 1.00 5.32 N ATOM 1296 CZ ARG A 84 -27.071 -27.121 -21.729 1.00 6.20 C ATOM 1297 NH1 ARG A 84 -25.960 -27.286 -22.432 1.00 6.48 N ATOM 1298 NH2 ARG A 84 -28.248 -27.300 -22.308 1.00 7.09 N ATOM 0 H ARG A 84 -24.525 -22.204 -21.367 1.00 2.19 H new ATOM 0 HA ARG A 84 -24.910 -24.392 -21.297 1.00 2.75 H new ATOM 0 HB2 ARG A 84 -26.534 -23.234 -19.256 1.00 3.41 H new ATOM 0 HB3 ARG A 84 -27.489 -24.497 -20.007 1.00 3.41 H new ATOM 0 HG2 ARG A 84 -24.670 -24.882 -18.938 1.00 3.80 H new ATOM 0 HG3 ARG A 84 -26.130 -25.275 -18.054 1.00 3.80 H new ATOM 0 HD2 ARG A 84 -24.919 -26.639 -20.431 1.00 4.57 H new ATOM 0 HD3 ARG A 84 -25.626 -27.337 -18.988 1.00 4.57 H new ATOM 0 HE ARG A 84 -27.880 -26.636 -19.943 1.00 5.32 H new ATOM 0 HH11 ARG A 84 -25.052 -27.141 -21.992 1.00 6.48 H new ATOM 0 HH12 ARG A 84 -26.013 -27.558 -23.414 1.00 6.48 H new ATOM 0 HH21 ARG A 84 -29.106 -27.166 -21.772 1.00 7.09 H new ATOM 0 HH22 ARG A 84 -28.297 -27.572 -23.290 1.00 7.09 H new ATOM 1312 N SER A 85 -28.059 -24.006 -22.114 1.00 3.58 N ATOM 1313 CA SER A 85 -29.066 -24.323 -23.110 1.00 4.69 C ATOM 1314 C SER A 85 -28.689 -23.726 -24.458 1.00 5.43 C ATOM 1315 O SER A 85 -28.553 -22.489 -24.536 1.00 5.80 O ATOM 1316 CB SER A 85 -30.420 -23.785 -22.662 1.00 5.10 C ATOM 1317 OG SER A 85 -30.259 -22.716 -21.746 1.00 4.66 O ATOM 1318 OXT SER A 85 -28.523 -24.502 -25.420 1.00 5.98 O ATOM 0 H SER A 85 -28.432 -23.610 -21.251 1.00 3.58 H new ATOM 0 HA SER A 85 -29.126 -25.406 -23.216 1.00 4.69 H new ATOM 0 HB2 SER A 85 -30.986 -23.445 -23.529 1.00 5.10 H new ATOM 0 HB3 SER A 85 -30.998 -24.584 -22.198 1.00 5.10 H new ATOM 0 HG SER A 85 -29.553 -22.116 -22.064 1.00 4.66 H new TER 1324 SER A 85