USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 49 GLN : amide:sc= 1.13 K(o=2.3,f=-4.6) USER MOD Set 1.2: A 52 LYS NZ :NH3+ -149:sc= 1.2 (180deg=0) USER MOD Single : A 41 SER OG : rot 84:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.15) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 71:sc= 0.0829 USER MOD Single : A 51 HIS : no HD1:sc= 0.819 K(o=0.82,f=-4.2!) USER MOD Single : A 53 ASN : amide:sc= -0.073 X(o=-0.073,f=-0.073) USER MOD Single : A 61 GLN : amide:sc= 0.865 K(o=0.86,f=-5.4!) USER MOD Single : A 64 TYR OH : rot 30:sc= -0.329 USER MOD Single : A 66 SER OG : rot 67:sc= 0.266 USER MOD Single : A 68 THR OG1 : rot -162:sc= 0.139 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.26! C(o=-1.3!,f=-10!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.299 USER MOD Single : A 85 TYR OH : rot 165:sc= 0 USER MOD Single : A 88 SER OG : rot 85:sc= 1.24 USER MOD Single : A 105 CYS SG : rot 78:sc= -1.42 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 35 2.791 -7.720 -0.055 1.00 0.00 N ATOM 45 CA LEU A 35 3.382 -9.042 -0.311 1.00 0.00 C ATOM 46 C LEU A 35 2.323 -9.918 -0.986 1.00 0.00 C ATOM 47 O LEU A 35 1.159 -9.535 -1.006 1.00 0.00 O ATOM 48 CB LEU A 35 3.863 -9.690 1.006 1.00 0.00 C ATOM 49 CG LEU A 35 4.936 -8.898 1.778 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.318 -9.658 3.054 1.00 0.00 C ATOM 51 CD2 LEU A 35 6.198 -8.647 0.941 1.00 0.00 C ATOM 0 HA LEU A 35 4.250 -8.939 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.001 -9.832 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.258 -10.680 0.781 1.00 0.00 H new ATOM 0 HG LEU A 35 4.506 -7.927 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.077 -9.096 3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.436 -9.780 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.713 -10.639 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.921 -8.085 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.634 -9.601 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.936 -8.076 0.050 1.00 0.00 H new ATOM 63 N GLU A 36 2.671 -11.097 -1.513 1.00 0.00 N ATOM 64 CA GLU A 36 1.734 -11.888 -2.325 1.00 0.00 C ATOM 65 C GLU A 36 0.473 -12.241 -1.544 1.00 0.00 C ATOM 66 O GLU A 36 -0.630 -11.882 -1.952 1.00 0.00 O ATOM 67 CB GLU A 36 2.431 -13.135 -2.896 1.00 0.00 C ATOM 68 CG GLU A 36 1.503 -13.983 -3.775 1.00 0.00 C ATOM 69 CD GLU A 36 2.285 -15.117 -4.461 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.403 -16.223 -3.876 1.00 0.00 O ATOM 71 OE2 GLU A 36 2.790 -14.916 -5.593 1.00 0.00 O ATOM 0 H GLU A 36 3.589 -11.525 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 36 1.414 -11.275 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.297 -12.826 -3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.804 -13.746 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.703 -14.404 -3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.032 -13.352 -4.529 1.00 0.00 H new ATOM 78 N ALA A 37 0.633 -12.903 -0.397 1.00 0.00 N ATOM 79 CA ALA A 37 -0.519 -13.352 0.376 1.00 0.00 C ATOM 80 C ALA A 37 -1.289 -12.155 0.937 1.00 0.00 C ATOM 81 O ALA A 37 -2.517 -12.173 0.991 1.00 0.00 O ATOM 82 CB ALA A 37 -0.103 -14.324 1.486 1.00 0.00 C ATOM 0 H ALA A 37 1.538 -13.136 0.011 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.185 -13.897 -0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.985 -14.639 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.378 -15.197 1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.594 -13.828 2.161 1.00 0.00 H new ATOM 88 N ASP A 38 -0.573 -11.096 1.321 1.00 0.00 N ATOM 89 CA ASP A 38 -1.179 -9.877 1.852 1.00 0.00 C ATOM 90 C ASP A 38 -2.017 -9.165 0.784 1.00 0.00 C ATOM 91 O ASP A 38 -3.132 -8.724 1.061 1.00 0.00 O ATOM 92 CB ASP A 38 -0.081 -8.952 2.382 1.00 0.00 C ATOM 93 CG ASP A 38 -0.668 -7.711 3.066 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.378 -7.862 4.087 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.414 -6.579 2.591 1.00 0.00 O ATOM 0 H ASP A 38 0.445 -11.061 1.272 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.849 -10.146 2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.544 -9.497 3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.564 -8.644 1.559 1.00 0.00 H new ATOM 100 N LEU A 39 -1.515 -9.113 -0.455 1.00 0.00 N ATOM 101 CA LEU A 39 -2.174 -8.495 -1.596 1.00 0.00 C ATOM 102 C LEU A 39 -3.489 -9.194 -1.839 1.00 0.00 C ATOM 103 O LEU A 39 -4.531 -8.543 -1.853 1.00 0.00 O ATOM 104 CB LEU A 39 -1.289 -8.575 -2.858 1.00 0.00 C ATOM 105 CG LEU A 39 -1.949 -7.977 -4.122 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.914 -7.197 -4.939 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.587 -9.034 -5.036 1.00 0.00 C ATOM 0 H LEU A 39 -0.608 -9.515 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.347 -7.441 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.352 -8.052 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.039 -9.618 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.743 -7.323 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.390 -6.780 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.506 -6.388 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.108 -7.867 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.031 -8.545 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.823 -9.737 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.360 -9.571 -4.487 1.00 0.00 H new ATOM 119 N VAL A 40 -3.446 -10.512 -2.029 1.00 0.00 N ATOM 120 CA VAL A 40 -4.636 -11.240 -2.426 1.00 0.00 C ATOM 121 C VAL A 40 -5.662 -11.168 -1.289 1.00 0.00 C ATOM 122 O VAL A 40 -6.832 -10.920 -1.557 1.00 0.00 O ATOM 123 CB VAL A 40 -4.267 -12.659 -2.913 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.242 -12.581 -4.062 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.712 -13.561 -1.809 1.00 0.00 C ATOM 0 H VAL A 40 -2.610 -11.085 -1.915 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.118 -10.784 -3.291 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.199 -13.107 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.991 -13.588 -4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.669 -12.020 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.340 -12.080 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.475 -14.541 -2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.808 -13.115 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.457 -13.671 -1.021 1.00 0.00 H new ATOM 135 N SER A 41 -5.224 -11.246 -0.028 1.00 0.00 N ATOM 136 CA SER A 41 -6.118 -11.151 1.123 1.00 0.00 C ATOM 137 C SER A 41 -6.761 -9.765 1.232 1.00 0.00 C ATOM 138 O SER A 41 -7.966 -9.680 1.454 1.00 0.00 O ATOM 139 CB SER A 41 -5.362 -11.514 2.407 1.00 0.00 C ATOM 140 OG SER A 41 -4.808 -12.818 2.305 1.00 0.00 O ATOM 0 H SER A 41 -4.243 -11.376 0.219 1.00 0.00 H new ATOM 0 HA SER A 41 -6.929 -11.865 0.981 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.569 -10.788 2.587 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.038 -11.465 3.261 1.00 0.00 H new ATOM 0 HG SER A 41 -3.947 -12.772 1.838 1.00 0.00 H new ATOM 146 N LYS A 42 -6.018 -8.669 1.038 1.00 0.00 N ATOM 147 CA LYS A 42 -6.599 -7.320 1.099 1.00 0.00 C ATOM 148 C LYS A 42 -7.554 -7.085 -0.061 1.00 0.00 C ATOM 149 O LYS A 42 -8.648 -6.577 0.151 1.00 0.00 O ATOM 150 CB LYS A 42 -5.489 -6.259 1.116 1.00 0.00 C ATOM 151 CG LYS A 42 -4.969 -6.084 2.549 1.00 0.00 C ATOM 152 CD LYS A 42 -3.701 -5.225 2.572 1.00 0.00 C ATOM 153 CE LYS A 42 -3.183 -5.069 4.009 1.00 0.00 C ATOM 154 NZ LYS A 42 -1.778 -4.592 4.037 1.00 0.00 N ATOM 0 H LYS A 42 -5.018 -8.688 0.838 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.170 -7.236 2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.675 -6.559 0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.872 -5.311 0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.739 -5.619 3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.759 -7.061 2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.932 -5.684 1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.912 -4.244 2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.817 -4.366 4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.253 -6.025 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.435 -4.580 5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.183 -5.230 3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.730 -3.631 3.641 1.00 0.00 H new ATOM 168 N MET A 43 -7.169 -7.480 -1.269 1.00 0.00 N ATOM 169 CA MET A 43 -8.000 -7.291 -2.453 1.00 0.00 C ATOM 170 C MET A 43 -9.302 -8.088 -2.297 1.00 0.00 C ATOM 171 O MET A 43 -10.384 -7.538 -2.487 1.00 0.00 O ATOM 172 CB MET A 43 -7.198 -7.711 -3.691 1.00 0.00 C ATOM 173 CG MET A 43 -5.942 -6.847 -3.919 1.00 0.00 C ATOM 174 SD MET A 43 -6.169 -5.409 -4.999 1.00 0.00 S ATOM 175 CE MET A 43 -4.467 -5.185 -5.591 1.00 0.00 C ATOM 0 H MET A 43 -6.277 -7.938 -1.455 1.00 0.00 H new ATOM 0 HA MET A 43 -8.277 -6.244 -2.573 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.900 -8.754 -3.587 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.839 -7.649 -4.570 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.581 -6.499 -2.951 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.160 -7.478 -4.343 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.428 -4.335 -6.272 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.808 -5.001 -4.743 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.143 -6.084 -6.114 1.00 0.00 H new ATOM 185 N LEU A 44 -9.210 -9.346 -1.846 1.00 0.00 N ATOM 186 CA LEU A 44 -10.337 -10.193 -1.458 1.00 0.00 C ATOM 187 C LEU A 44 -11.250 -9.443 -0.489 1.00 0.00 C ATOM 188 O LEU A 44 -12.423 -9.220 -0.786 1.00 0.00 O ATOM 189 CB LEU A 44 -9.767 -11.485 -0.821 1.00 0.00 C ATOM 190 CG LEU A 44 -10.788 -12.397 -0.134 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.657 -13.075 -1.188 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.086 -13.455 0.714 1.00 0.00 C ATOM 0 H LEU A 44 -8.311 -9.817 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.940 -10.456 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.261 -12.058 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.010 -11.203 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.412 -11.789 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.383 -13.724 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.182 -12.317 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.028 -13.670 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.831 -14.091 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.444 -14.064 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.482 -12.966 1.478 1.00 0.00 H new ATOM 204 N ARG A 45 -10.696 -9.032 0.654 1.00 0.00 N ATOM 205 CA ARG A 45 -11.388 -8.286 1.704 1.00 0.00 C ATOM 206 C ARG A 45 -12.130 -7.096 1.110 1.00 0.00 C ATOM 207 O ARG A 45 -13.304 -6.907 1.423 1.00 0.00 O ATOM 208 CB ARG A 45 -10.326 -7.954 2.782 1.00 0.00 C ATOM 209 CG ARG A 45 -10.564 -6.789 3.765 1.00 0.00 C ATOM 210 CD ARG A 45 -10.193 -5.412 3.169 1.00 0.00 C ATOM 211 NE ARG A 45 -9.625 -4.478 4.161 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.260 -3.881 5.178 1.00 0.00 C ATOM 213 NH1 ARG A 45 -11.522 -4.175 5.437 1.00 0.00 N ATOM 214 NH2 ARG A 45 -9.625 -2.989 5.932 1.00 0.00 N ATOM 0 H ARG A 45 -9.719 -9.217 0.880 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.179 -8.858 2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.175 -8.855 3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.389 -7.754 2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.613 -6.780 4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.978 -6.958 4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.474 -5.555 2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.083 -4.964 2.727 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.633 -4.262 4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.015 -4.858 4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.003 -3.719 6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.651 -2.757 5.737 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.112 -2.536 6.706 1.00 0.00 H new ATOM 228 N ALA A 46 -11.490 -6.318 0.242 1.00 0.00 N ATOM 229 CA ALA A 46 -12.107 -5.112 -0.275 1.00 0.00 C ATOM 230 C ALA A 46 -13.284 -5.430 -1.198 1.00 0.00 C ATOM 231 O ALA A 46 -14.342 -4.825 -1.030 1.00 0.00 O ATOM 232 CB ALA A 46 -11.056 -4.265 -1.000 1.00 0.00 C ATOM 0 H ALA A 46 -10.552 -6.503 -0.113 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.506 -4.544 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.523 -3.359 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.263 -3.995 -0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.634 -4.838 -1.826 1.00 0.00 H new ATOM 238 N VAL A 47 -13.145 -6.388 -2.123 1.00 0.00 N ATOM 239 CA VAL A 47 -14.243 -6.737 -3.030 1.00 0.00 C ATOM 240 C VAL A 47 -15.436 -7.226 -2.205 1.00 0.00 C ATOM 241 O VAL A 47 -16.577 -6.840 -2.460 1.00 0.00 O ATOM 242 CB VAL A 47 -13.786 -7.775 -4.078 1.00 0.00 C ATOM 243 CG1 VAL A 47 -14.935 -8.253 -4.975 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.718 -7.159 -4.990 1.00 0.00 C ATOM 0 H VAL A 47 -12.292 -6.930 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.554 -5.855 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.397 -8.626 -3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.557 -8.981 -5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.708 -8.716 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.358 -7.402 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.400 -7.896 -5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.133 -6.290 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.861 -6.852 -4.391 1.00 0.00 H new ATOM 254 N LEU A 48 -15.173 -8.031 -1.175 1.00 0.00 N ATOM 255 CA LEU A 48 -16.222 -8.551 -0.313 1.00 0.00 C ATOM 256 C LEU A 48 -16.936 -7.419 0.425 1.00 0.00 C ATOM 257 O LEU A 48 -18.150 -7.492 0.594 1.00 0.00 O ATOM 258 CB LEU A 48 -15.609 -9.519 0.704 1.00 0.00 C ATOM 259 CG LEU A 48 -15.069 -10.810 0.082 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.131 -11.440 1.100 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.189 -11.802 -0.227 1.00 0.00 C ATOM 0 H LEU A 48 -14.234 -8.336 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.953 -9.072 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.799 -9.014 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.363 -9.773 1.449 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.566 -10.573 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.723 -12.366 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.316 -10.750 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.681 -11.656 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.765 -12.704 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.712 -12.059 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.891 -11.351 -0.929 1.00 0.00 H new ATOM 273 N GLN A 49 -16.210 -6.389 0.880 1.00 0.00 N ATOM 274 CA GLN A 49 -16.833 -5.244 1.545 1.00 0.00 C ATOM 275 C GLN A 49 -17.704 -4.441 0.572 1.00 0.00 C ATOM 276 O GLN A 49 -18.796 -4.016 0.960 1.00 0.00 O ATOM 277 CB GLN A 49 -15.777 -4.337 2.203 1.00 0.00 C ATOM 278 CG GLN A 49 -15.149 -4.923 3.480 1.00 0.00 C ATOM 279 CD GLN A 49 -16.114 -5.054 4.666 1.00 0.00 C ATOM 280 OE1 GLN A 49 -17.298 -4.734 4.597 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.625 -5.545 5.790 1.00 0.00 N ATOM 0 H GLN A 49 -15.195 -6.328 0.799 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.478 -5.636 2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.985 -4.137 1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.237 -3.379 2.445 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.742 -5.908 3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.311 -4.293 3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.642 -5.810 5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.231 -5.659 6.603 1.00 0.00 H new ATOM 290 N SER A 50 -17.260 -4.247 -0.676 1.00 0.00 N ATOM 291 CA SER A 50 -18.064 -3.575 -1.694 1.00 0.00 C ATOM 292 C SER A 50 -19.348 -4.352 -2.006 1.00 0.00 C ATOM 293 O SER A 50 -20.399 -3.746 -2.229 1.00 0.00 O ATOM 294 CB SER A 50 -17.234 -3.408 -2.972 1.00 0.00 C ATOM 295 OG SER A 50 -16.041 -2.680 -2.706 1.00 0.00 O ATOM 0 H SER A 50 -16.342 -4.549 -1.002 1.00 0.00 H new ATOM 0 HA SER A 50 -18.353 -2.598 -1.306 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.985 -4.387 -3.380 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.822 -2.888 -3.728 1.00 0.00 H new ATOM 0 HG SER A 50 -15.426 -3.239 -2.186 1.00 0.00 H new ATOM 301 N HIS A 51 -19.285 -5.684 -1.967 1.00 0.00 N ATOM 302 CA HIS A 51 -20.339 -6.567 -2.451 1.00 0.00 C ATOM 303 C HIS A 51 -21.093 -7.181 -1.266 1.00 0.00 C ATOM 304 O HIS A 51 -21.041 -8.390 -1.040 1.00 0.00 O ATOM 305 CB HIS A 51 -19.738 -7.600 -3.421 1.00 0.00 C ATOM 306 CG HIS A 51 -19.193 -7.007 -4.708 1.00 0.00 C ATOM 307 ND1 HIS A 51 -19.045 -5.647 -5.025 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.760 -7.741 -5.768 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.518 -5.613 -6.262 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.354 -6.856 -6.740 1.00 0.00 N ATOM 0 H HIS A 51 -18.481 -6.186 -1.589 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.083 -6.009 -3.020 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.935 -8.134 -2.913 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.503 -8.336 -3.669 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.739 -8.819 -5.834 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.262 -4.710 -6.797 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -17.992 -7.101 -7.662 1.00 0.00 H new ATOM 318 N LYS A 52 -21.787 -6.342 -0.484 1.00 0.00 N ATOM 319 CA LYS A 52 -22.497 -6.740 0.740 1.00 0.00 C ATOM 320 C LYS A 52 -23.531 -7.850 0.539 1.00 0.00 C ATOM 321 O LYS A 52 -23.805 -8.594 1.477 1.00 0.00 O ATOM 322 CB LYS A 52 -23.201 -5.522 1.362 1.00 0.00 C ATOM 323 CG LYS A 52 -22.253 -4.482 1.972 1.00 0.00 C ATOM 324 CD LYS A 52 -21.439 -5.038 3.153 1.00 0.00 C ATOM 325 CE LYS A 52 -20.832 -3.849 3.917 1.00 0.00 C ATOM 326 NZ LYS A 52 -20.037 -4.248 5.110 1.00 0.00 N ATOM 0 H LYS A 52 -21.872 -5.346 -0.689 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.728 -7.139 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.806 -5.038 0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.885 -5.870 2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.570 -4.124 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.832 -3.622 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -22.077 -5.627 3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.652 -5.701 2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -20.194 -3.281 3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -21.635 -3.183 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.102 -3.505 5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.411 -5.139 5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.042 -4.379 4.836 1.00 0.00 H new ATOM 340 N ASN A 53 -24.093 -7.983 -0.669 1.00 0.00 N ATOM 341 CA ASN A 53 -25.014 -9.079 -1.004 1.00 0.00 C ATOM 342 C ASN A 53 -24.337 -10.457 -0.934 1.00 0.00 C ATOM 343 O ASN A 53 -25.021 -11.480 -0.898 1.00 0.00 O ATOM 344 CB ASN A 53 -25.609 -8.833 -2.400 1.00 0.00 C ATOM 345 CG ASN A 53 -26.650 -9.882 -2.785 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.411 -10.731 -3.638 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.831 -9.849 -2.174 1.00 0.00 N ATOM 0 H ASN A 53 -23.924 -7.337 -1.440 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.811 -9.089 -0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -26.067 -7.844 -2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.807 -8.833 -3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.548 -10.534 -2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -28.019 -9.139 -1.466 1.00 0.00 H new ATOM 354 N GLY A 54 -23.000 -10.496 -0.886 1.00 0.00 N ATOM 355 CA GLY A 54 -22.204 -11.700 -0.969 1.00 0.00 C ATOM 356 C GLY A 54 -21.947 -12.066 -2.428 1.00 0.00 C ATOM 357 O GLY A 54 -22.590 -11.552 -3.348 1.00 0.00 O ATOM 0 H GLY A 54 -22.434 -9.653 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.256 -11.554 -0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.718 -12.519 -0.467 1.00 0.00 H new ATOM 361 N ILE A 55 -20.981 -12.958 -2.638 1.00 0.00 N ATOM 362 CA ILE A 55 -20.550 -13.416 -3.955 1.00 0.00 C ATOM 363 C ILE A 55 -20.228 -14.897 -3.835 1.00 0.00 C ATOM 364 O ILE A 55 -19.416 -15.285 -3.005 1.00 0.00 O ATOM 365 CB ILE A 55 -19.367 -12.558 -4.498 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.374 -12.034 -3.426 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.894 -11.360 -5.302 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.298 -11.065 -3.954 1.00 0.00 C ATOM 0 H ILE A 55 -20.463 -13.393 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.340 -13.287 -4.695 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.804 -13.249 -5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.941 -11.532 -2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.878 -12.887 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.054 -10.773 -5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.486 -11.719 -6.144 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.517 -10.737 -4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.653 -10.755 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.700 -11.565 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.779 -10.189 -4.389 1.00 0.00 H new ATOM 380 N VAL A 56 -20.922 -15.729 -4.607 1.00 0.00 N ATOM 381 CA VAL A 56 -20.726 -17.186 -4.642 1.00 0.00 C ATOM 382 C VAL A 56 -19.289 -17.523 -5.037 1.00 0.00 C ATOM 383 O VAL A 56 -18.722 -16.741 -5.782 1.00 0.00 O ATOM 384 CB VAL A 56 -21.781 -17.817 -5.578 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.180 -17.735 -4.958 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.809 -17.181 -6.981 1.00 0.00 C ATOM 0 H VAL A 56 -21.653 -15.408 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 56 -20.873 -17.613 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.485 -18.859 -5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -23.905 -18.186 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.189 -18.270 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.442 -16.691 -4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.571 -17.670 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.040 -16.119 -6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.835 -17.303 -7.455 1.00 0.00 H new ATOM 396 N LEU A 57 -18.683 -18.646 -4.616 1.00 0.00 N ATOM 397 CA LEU A 57 -17.237 -18.871 -4.854 1.00 0.00 C ATOM 398 C LEU A 57 -16.740 -18.627 -6.303 1.00 0.00 C ATOM 399 O LEU A 57 -15.654 -18.067 -6.435 1.00 0.00 O ATOM 400 CB LEU A 57 -16.650 -20.148 -4.197 1.00 0.00 C ATOM 401 CG LEU A 57 -16.696 -21.501 -4.955 1.00 0.00 C ATOM 402 CD1 LEU A 57 -15.759 -21.585 -6.176 1.00 0.00 C ATOM 403 CD2 LEU A 57 -16.267 -22.617 -3.991 1.00 0.00 C ATOM 0 H LEU A 57 -19.155 -19.401 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.794 -18.048 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.605 -19.942 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.166 -20.291 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.719 -21.602 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -15.857 -22.565 -6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.028 -20.811 -6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.728 -21.439 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.294 -23.576 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.254 -22.424 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -16.948 -22.645 -3.141 1.00 0.00 H new ATOM 415 N PRO A 58 -17.470 -18.944 -7.400 1.00 0.00 N ATOM 416 CA PRO A 58 -16.972 -18.615 -8.742 1.00 0.00 C ATOM 417 C PRO A 58 -17.095 -17.114 -9.043 1.00 0.00 C ATOM 418 O PRO A 58 -16.198 -16.508 -9.628 1.00 0.00 O ATOM 419 CB PRO A 58 -17.789 -19.477 -9.710 1.00 0.00 C ATOM 420 CG PRO A 58 -19.102 -19.725 -8.968 1.00 0.00 C ATOM 421 CD PRO A 58 -18.683 -19.760 -7.498 1.00 0.00 C ATOM 0 HA PRO A 58 -15.907 -18.828 -8.838 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.957 -18.964 -10.657 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.278 -20.412 -9.940 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.827 -18.934 -9.160 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.565 -20.663 -9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.472 -19.363 -6.859 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.492 -20.782 -7.172 1.00 0.00 H new ATOM 429 N ARG A 59 -18.174 -16.473 -8.577 1.00 0.00 N ATOM 430 CA ARG A 59 -18.356 -15.022 -8.675 1.00 0.00 C ATOM 431 C ARG A 59 -17.334 -14.293 -7.800 1.00 0.00 C ATOM 432 O ARG A 59 -16.889 -13.213 -8.172 1.00 0.00 O ATOM 433 CB ARG A 59 -19.810 -14.683 -8.300 1.00 0.00 C ATOM 434 CG ARG A 59 -20.195 -13.252 -8.684 1.00 0.00 C ATOM 435 CD ARG A 59 -21.678 -12.956 -8.425 1.00 0.00 C ATOM 436 NE ARG A 59 -22.016 -11.589 -8.864 1.00 0.00 N ATOM 437 CZ ARG A 59 -22.514 -11.218 -10.055 1.00 0.00 C ATOM 438 NH1 ARG A 59 -22.734 -12.112 -11.017 1.00 0.00 N ATOM 439 NH2 ARG A 59 -22.794 -9.939 -10.282 1.00 0.00 N ATOM 0 H ARG A 59 -18.950 -16.951 -8.119 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.180 -14.683 -9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.483 -15.383 -8.796 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.946 -14.817 -7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.583 -12.550 -8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.974 -13.090 -9.739 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.297 -13.679 -8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.897 -13.068 -7.363 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.854 -10.843 -8.188 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -22.524 -13.097 -10.856 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -23.113 -11.812 -11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.631 -9.244 -9.553 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -23.172 -9.652 -11.185 1.00 0.00 H new ATOM 453 N LEU A 60 -16.940 -14.892 -6.671 1.00 0.00 N ATOM 454 CA LEU A 60 -15.887 -14.381 -5.805 1.00 0.00 C ATOM 455 C LEU A 60 -14.624 -14.273 -6.640 1.00 0.00 C ATOM 456 O LEU A 60 -14.104 -13.169 -6.762 1.00 0.00 O ATOM 457 CB LEU A 60 -15.697 -15.280 -4.559 1.00 0.00 C ATOM 458 CG LEU A 60 -14.630 -14.846 -3.544 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.208 -15.189 -3.973 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.724 -13.366 -3.193 1.00 0.00 C ATOM 0 H LEU A 60 -17.355 -15.760 -6.333 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.152 -13.398 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.653 -15.345 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.451 -16.285 -4.901 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.851 -15.428 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.507 -14.854 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.117 -16.268 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.982 -14.691 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.947 -13.113 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.590 -12.769 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.702 -13.156 -2.761 1.00 0.00 H new ATOM 472 N GLN A 61 -14.194 -15.376 -7.265 1.00 0.00 N ATOM 473 CA GLN A 61 -13.051 -15.383 -8.173 1.00 0.00 C ATOM 474 C GLN A 61 -13.200 -14.320 -9.257 1.00 0.00 C ATOM 475 O GLN A 61 -12.257 -13.571 -9.479 1.00 0.00 O ATOM 476 CB GLN A 61 -12.872 -16.775 -8.805 1.00 0.00 C ATOM 477 CG GLN A 61 -11.928 -17.678 -8.001 1.00 0.00 C ATOM 478 CD GLN A 61 -10.469 -17.518 -8.460 1.00 0.00 C ATOM 479 OE1 GLN A 61 -9.922 -16.421 -8.451 1.00 0.00 O ATOM 480 NE2 GLN A 61 -9.794 -18.586 -8.868 1.00 0.00 N ATOM 0 H GLN A 61 -14.634 -16.289 -7.152 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.160 -15.147 -7.591 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.845 -17.258 -8.889 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.484 -16.662 -9.817 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.006 -17.436 -6.941 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.234 -18.718 -8.113 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.244 -19.501 -8.877 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.825 -18.491 -9.172 1.00 0.00 H new ATOM 489 N GLY A 62 -14.364 -14.229 -9.905 1.00 0.00 N ATOM 490 CA GLY A 62 -14.606 -13.264 -10.972 1.00 0.00 C ATOM 491 C GLY A 62 -14.327 -11.828 -10.515 1.00 0.00 C ATOM 492 O GLY A 62 -13.449 -11.162 -11.063 1.00 0.00 O ATOM 0 H GLY A 62 -15.166 -14.826 -9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.974 -13.502 -11.828 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.640 -13.344 -11.307 1.00 0.00 H new ATOM 496 N GLU A 63 -15.036 -11.365 -9.485 1.00 0.00 N ATOM 497 CA GLU A 63 -14.969 -9.973 -9.039 1.00 0.00 C ATOM 498 C GLU A 63 -13.614 -9.667 -8.382 1.00 0.00 C ATOM 499 O GLU A 63 -13.038 -8.597 -8.604 1.00 0.00 O ATOM 500 CB GLU A 63 -16.125 -9.695 -8.068 1.00 0.00 C ATOM 501 CG GLU A 63 -17.506 -9.775 -8.738 1.00 0.00 C ATOM 502 CD GLU A 63 -17.700 -8.670 -9.792 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.686 -7.474 -9.416 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.870 -8.989 -10.992 1.00 0.00 O ATOM 0 H GLU A 63 -15.672 -11.944 -8.937 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.064 -9.318 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.083 -10.412 -7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.996 -8.704 -7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.624 -10.751 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.283 -9.692 -7.978 1.00 0.00 H new ATOM 511 N TYR A 64 -13.079 -10.623 -7.611 1.00 0.00 N ATOM 512 CA TYR A 64 -11.722 -10.560 -7.087 1.00 0.00 C ATOM 513 C TYR A 64 -10.749 -10.301 -8.235 1.00 0.00 C ATOM 514 O TYR A 64 -9.970 -9.348 -8.169 1.00 0.00 O ATOM 515 CB TYR A 64 -11.389 -11.860 -6.343 1.00 0.00 C ATOM 516 CG TYR A 64 -9.915 -12.095 -6.124 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.186 -12.784 -7.106 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.270 -11.633 -4.960 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.812 -12.986 -6.946 1.00 0.00 C ATOM 520 CE2 TYR A 64 -7.889 -11.851 -4.791 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.158 -12.513 -5.799 1.00 0.00 C ATOM 522 OH TYR A 64 -5.821 -12.696 -5.679 1.00 0.00 O ATOM 0 H TYR A 64 -13.585 -11.465 -7.336 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.634 -9.740 -6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.890 -11.848 -5.375 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.799 -12.700 -6.904 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.687 -13.159 -7.986 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.833 -11.113 -4.199 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.252 -13.508 -7.708 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.392 -11.513 -3.894 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.411 -12.706 -6.569 1.00 0.00 H new ATOM 532 N ARG A 65 -10.824 -11.107 -9.298 1.00 0.00 N ATOM 533 CA ARG A 65 -9.874 -11.041 -10.394 1.00 0.00 C ATOM 534 C ARG A 65 -10.043 -9.746 -11.181 1.00 0.00 C ATOM 535 O ARG A 65 -9.048 -9.225 -11.682 1.00 0.00 O ATOM 536 CB ARG A 65 -9.985 -12.306 -11.263 1.00 0.00 C ATOM 537 CG ARG A 65 -8.788 -12.444 -12.211 1.00 0.00 C ATOM 538 CD ARG A 65 -9.116 -12.229 -13.685 1.00 0.00 C ATOM 539 NE ARG A 65 -7.901 -12.455 -14.479 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.783 -12.334 -15.808 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.833 -12.007 -16.558 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.606 -12.545 -16.385 1.00 0.00 N ATOM 0 H ARG A 65 -11.545 -11.819 -9.416 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.858 -11.019 -9.999 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.045 -13.185 -10.621 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.907 -12.270 -11.843 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.022 -11.727 -11.915 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.358 -13.438 -12.089 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.905 -12.912 -14.000 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.488 -11.217 -13.845 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.063 -12.732 -13.967 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.741 -11.845 -16.122 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.730 -11.918 -17.569 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.798 -12.798 -15.817 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.510 -12.454 -17.396 1.00 0.00 H new ATOM 556 N SER A 66 -11.254 -9.191 -11.267 1.00 0.00 N ATOM 557 CA SER A 66 -11.452 -7.858 -11.821 1.00 0.00 C ATOM 558 C SER A 66 -10.642 -6.816 -11.038 1.00 0.00 C ATOM 559 O SER A 66 -10.055 -5.926 -11.664 1.00 0.00 O ATOM 560 CB SER A 66 -12.939 -7.482 -11.828 1.00 0.00 C ATOM 561 OG SER A 66 -13.720 -8.458 -12.506 1.00 0.00 O ATOM 0 H SER A 66 -12.112 -9.649 -10.958 1.00 0.00 H new ATOM 0 HA SER A 66 -11.096 -7.869 -12.851 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.294 -7.378 -10.803 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.068 -6.513 -12.309 1.00 0.00 H new ATOM 0 HG SER A 66 -13.711 -9.295 -11.997 1.00 0.00 H new ATOM 567 N LEU A 67 -10.576 -6.913 -9.698 1.00 0.00 N ATOM 568 CA LEU A 67 -9.791 -5.961 -8.910 1.00 0.00 C ATOM 569 C LEU A 67 -8.281 -6.227 -9.031 1.00 0.00 C ATOM 570 O LEU A 67 -7.527 -5.292 -9.311 1.00 0.00 O ATOM 571 CB LEU A 67 -10.233 -5.957 -7.436 1.00 0.00 C ATOM 572 CG LEU A 67 -9.491 -4.890 -6.600 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.763 -3.456 -7.076 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.884 -4.989 -5.123 1.00 0.00 C ATOM 0 H LEU A 67 -11.050 -7.631 -9.150 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.982 -4.970 -9.322 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.306 -5.775 -7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.055 -6.942 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.429 -5.098 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.214 -2.754 -6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.439 -3.349 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.830 -3.246 -7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.350 -4.229 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.958 -4.832 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.624 -5.977 -4.743 1.00 0.00 H new ATOM 586 N THR A 68 -7.819 -7.460 -8.802 1.00 0.00 N ATOM 587 CA THR A 68 -6.386 -7.765 -8.711 1.00 0.00 C ATOM 588 C THR A 68 -5.693 -7.829 -10.074 1.00 0.00 C ATOM 589 O THR A 68 -4.535 -7.419 -10.199 1.00 0.00 O ATOM 590 CB THR A 68 -6.204 -9.157 -8.089 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.090 -10.055 -8.715 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.500 -9.145 -6.603 1.00 0.00 C ATOM 0 H THR A 68 -8.423 -8.272 -8.675 1.00 0.00 H new ATOM 0 HA THR A 68 -5.947 -6.963 -8.118 1.00 0.00 H new ATOM 0 HB THR A 68 -5.167 -9.461 -8.233 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.198 -10.852 -8.155 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.361 -10.147 -6.196 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.823 -8.453 -6.103 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.530 -8.827 -6.440 1.00 0.00 H new ATOM 600 N GLY A 69 -6.393 -8.349 -11.084 1.00 0.00 N ATOM 601 CA GLY A 69 -5.797 -8.707 -12.357 1.00 0.00 C ATOM 602 C GLY A 69 -5.074 -10.061 -12.223 1.00 0.00 C ATOM 603 O GLY A 69 -4.202 -10.363 -13.041 1.00 0.00 O ATOM 0 H GLY A 69 -7.395 -8.532 -11.034 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.567 -8.768 -13.127 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.093 -7.936 -12.671 1.00 0.00 H new ATOM 607 N ASP A 70 -5.401 -10.876 -11.206 1.00 0.00 N ATOM 608 CA ASP A 70 -4.810 -12.192 -10.937 1.00 0.00 C ATOM 609 C ASP A 70 -5.910 -13.116 -10.435 1.00 0.00 C ATOM 610 O ASP A 70 -6.872 -12.635 -9.842 1.00 0.00 O ATOM 611 CB ASP A 70 -3.718 -12.103 -9.854 1.00 0.00 C ATOM 612 CG ASP A 70 -2.852 -13.380 -9.775 1.00 0.00 C ATOM 613 OD1 ASP A 70 -2.815 -14.181 -10.743 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.189 -13.580 -8.728 1.00 0.00 O ATOM 0 H ASP A 70 -6.114 -10.623 -10.522 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.359 -12.568 -11.856 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.077 -11.246 -10.060 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.186 -11.926 -8.886 1.00 0.00 H new ATOM 619 N TRP A 71 -5.802 -14.424 -10.644 1.00 0.00 N ATOM 620 CA TRP A 71 -6.717 -15.400 -10.061 1.00 0.00 C ATOM 621 C TRP A 71 -6.233 -15.771 -8.656 1.00 0.00 C ATOM 622 O TRP A 71 -5.043 -15.643 -8.349 1.00 0.00 O ATOM 623 CB TRP A 71 -6.768 -16.639 -10.963 1.00 0.00 C ATOM 624 CG TRP A 71 -7.180 -16.371 -12.380 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.353 -16.361 -13.449 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.504 -16.064 -12.912 1.00 0.00 C ATOM 627 NE1 TRP A 71 -7.072 -16.107 -14.600 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.405 -15.913 -14.329 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.775 -15.861 -12.331 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.520 -15.610 -15.131 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.893 -15.530 -13.126 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.772 -15.422 -14.523 1.00 0.00 C ATOM 0 H TRP A 71 -5.074 -14.839 -11.225 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.720 -14.980 -9.983 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.784 -17.107 -10.968 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.461 -17.359 -10.528 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.287 -16.527 -13.409 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.665 -16.068 -15.534 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.893 -15.961 -11.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.415 -15.523 -16.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.851 -15.358 -12.657 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.639 -15.195 -15.126 1.00 0.00 H new ATOM 643 N ILE A 72 -7.150 -16.219 -7.786 1.00 0.00 N ATOM 644 CA ILE A 72 -6.818 -16.567 -6.406 1.00 0.00 C ATOM 645 C ILE A 72 -5.721 -17.647 -6.399 1.00 0.00 C ATOM 646 O ILE A 72 -5.869 -18.666 -7.083 1.00 0.00 O ATOM 647 CB ILE A 72 -8.078 -16.993 -5.614 1.00 0.00 C ATOM 648 CG1 ILE A 72 -8.806 -15.702 -5.200 1.00 0.00 C ATOM 649 CG2 ILE A 72 -7.780 -17.891 -4.399 1.00 0.00 C ATOM 650 CD1 ILE A 72 -10.073 -15.889 -4.371 1.00 0.00 C ATOM 0 H ILE A 72 -8.134 -16.348 -8.021 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.427 -15.687 -5.896 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.704 -17.615 -6.254 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.112 -15.082 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.064 -15.148 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.714 -18.146 -3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.287 -18.804 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.129 -17.360 -3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.502 -14.915 -4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.795 -16.476 -4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.829 -16.410 -3.445 1.00 0.00 H new ATOM 662 N PRO A 73 -4.670 -17.481 -5.582 1.00 0.00 N ATOM 663 CA PRO A 73 -3.602 -18.451 -5.445 1.00 0.00 C ATOM 664 C PRO A 73 -3.989 -19.591 -4.476 1.00 0.00 C ATOM 665 O PRO A 73 -3.211 -19.890 -3.584 1.00 0.00 O ATOM 666 CB PRO A 73 -2.391 -17.616 -4.998 1.00 0.00 C ATOM 667 CG PRO A 73 -3.030 -16.573 -4.098 1.00 0.00 C ATOM 668 CD PRO A 73 -4.349 -16.281 -4.810 1.00 0.00 C ATOM 0 HA PRO A 73 -3.378 -18.984 -6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.657 -18.219 -4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.876 -17.162 -5.844 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.190 -16.952 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.411 -15.680 -4.009 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.138 -16.058 -4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.256 -15.412 -5.462 1.00 0.00 H new ATOM 676 N PHE A 74 -5.179 -20.205 -4.559 1.00 0.00 N ATOM 677 CA PHE A 74 -5.622 -21.180 -3.553 1.00 0.00 C ATOM 678 C PHE A 74 -4.685 -22.387 -3.527 1.00 0.00 C ATOM 679 O PHE A 74 -3.991 -22.608 -2.535 1.00 0.00 O ATOM 680 CB PHE A 74 -7.099 -21.581 -3.742 1.00 0.00 C ATOM 681 CG PHE A 74 -7.458 -22.309 -5.029 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.658 -21.608 -6.234 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.586 -23.710 -5.012 1.00 0.00 C ATOM 684 CE1 PHE A 74 -7.976 -22.305 -7.412 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.918 -24.405 -6.186 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.111 -23.704 -7.389 1.00 0.00 C ATOM 0 H PHE A 74 -5.850 -20.044 -5.310 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.569 -20.702 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.388 -22.214 -2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.706 -20.677 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.567 -20.532 -6.253 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.428 -24.253 -4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.117 -21.765 -8.337 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.025 -25.479 -6.165 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.362 -24.239 -8.293 1.00 0.00 H new ATOM 696 N LYS A 75 -4.582 -23.109 -4.640 1.00 0.00 N ATOM 697 CA LYS A 75 -3.749 -24.301 -4.772 1.00 0.00 C ATOM 698 C LYS A 75 -2.266 -23.941 -4.675 1.00 0.00 C ATOM 699 O LYS A 75 -1.448 -24.749 -4.246 1.00 0.00 O ATOM 700 CB LYS A 75 -4.117 -24.946 -6.121 1.00 0.00 C ATOM 701 CG LYS A 75 -3.566 -26.372 -6.276 1.00 0.00 C ATOM 702 CD LYS A 75 -4.028 -27.002 -7.603 1.00 0.00 C ATOM 703 CE LYS A 75 -3.562 -28.458 -7.772 1.00 0.00 C ATOM 704 NZ LYS A 75 -2.095 -28.594 -7.994 1.00 0.00 N ATOM 0 H LYS A 75 -5.087 -22.876 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.929 -25.010 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.202 -24.969 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.734 -24.325 -6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.477 -26.351 -6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.901 -26.988 -5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.116 -26.966 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.648 -26.406 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.840 -29.025 -6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.091 -28.904 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.852 -29.600 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.825 -28.080 -8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.583 -28.197 -7.181 1.00 0.00 H new ATOM 718 N GLN A 76 -1.937 -22.713 -5.069 1.00 0.00 N ATOM 719 CA GLN A 76 -0.602 -22.156 -5.140 1.00 0.00 C ATOM 720 C GLN A 76 -0.100 -21.838 -3.716 1.00 0.00 C ATOM 721 O GLN A 76 1.064 -22.096 -3.402 1.00 0.00 O ATOM 722 CB GLN A 76 -0.633 -20.921 -6.070 1.00 0.00 C ATOM 723 CG GLN A 76 -1.212 -21.149 -7.500 1.00 0.00 C ATOM 724 CD GLN A 76 -2.735 -20.929 -7.640 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.530 -21.434 -6.859 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.217 -20.173 -8.617 1.00 0.00 N ATOM 0 H GLN A 76 -2.647 -22.043 -5.365 1.00 0.00 H new ATOM 0 HA GLN A 76 0.106 -22.868 -5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.219 -20.141 -5.584 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.384 -20.541 -6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.700 -20.480 -8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.979 -22.168 -7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.582 -19.737 -9.285 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.223 -20.027 -8.700 1.00 0.00 H new ATOM 735 N LEU A 77 -0.976 -21.332 -2.834 1.00 0.00 N ATOM 736 CA LEU A 77 -0.722 -21.172 -1.398 1.00 0.00 C ATOM 737 C LEU A 77 -0.812 -22.529 -0.682 1.00 0.00 C ATOM 738 O LEU A 77 -0.138 -22.717 0.334 1.00 0.00 O ATOM 739 CB LEU A 77 -1.716 -20.172 -0.771 1.00 0.00 C ATOM 740 CG LEU A 77 -1.504 -18.692 -1.153 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.676 -17.830 -0.654 1.00 0.00 C ATOM 742 CD2 LEU A 77 -0.204 -18.109 -0.592 1.00 0.00 C ATOM 0 H LEU A 77 -1.905 -21.015 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 77 0.286 -20.776 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.726 -20.462 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.657 -20.261 0.314 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.446 -18.671 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.507 -16.790 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.604 -18.181 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.748 -17.907 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.112 -17.066 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.217 -18.171 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.644 -18.675 -0.977 1.00 0.00 H new ATOM 754 N GLY A 78 -1.597 -23.474 -1.216 1.00 0.00 N ATOM 755 CA GLY A 78 -1.661 -24.863 -0.762 1.00 0.00 C ATOM 756 C GLY A 78 -3.030 -25.281 -0.216 1.00 0.00 C ATOM 757 O GLY A 78 -3.161 -26.378 0.331 1.00 0.00 O ATOM 0 H GLY A 78 -2.222 -23.284 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.398 -25.518 -1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.911 -25.015 0.014 1.00 0.00 H new ATOM 761 N TYR A 79 -4.053 -24.438 -0.359 1.00 0.00 N ATOM 762 CA TYR A 79 -5.431 -24.769 -0.018 1.00 0.00 C ATOM 763 C TYR A 79 -6.007 -25.598 -1.167 1.00 0.00 C ATOM 764 O TYR A 79 -5.782 -25.237 -2.324 1.00 0.00 O ATOM 765 CB TYR A 79 -6.244 -23.482 0.145 1.00 0.00 C ATOM 766 CG TYR A 79 -5.602 -22.541 1.136 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.745 -22.772 2.511 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.850 -21.446 0.677 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.115 -21.923 3.430 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.220 -20.588 1.595 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.349 -20.823 2.984 1.00 0.00 C ATOM 772 OH TYR A 79 -3.748 -20.002 3.899 1.00 0.00 O ATOM 0 H TYR A 79 -3.942 -23.491 -0.721 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.471 -25.328 0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.338 -22.986 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.253 -23.728 0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.340 -23.603 2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.756 -21.263 -0.383 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.216 -22.111 4.489 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.638 -19.750 1.240 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.258 -19.294 3.431 1.00 0.00 H new ATOM 782 N PRO A 80 -6.762 -26.676 -0.912 1.00 0.00 N ATOM 783 CA PRO A 80 -7.201 -27.553 -1.989 1.00 0.00 C ATOM 784 C PRO A 80 -8.240 -26.901 -2.905 1.00 0.00 C ATOM 785 O PRO A 80 -8.326 -27.277 -4.076 1.00 0.00 O ATOM 786 CB PRO A 80 -7.752 -28.803 -1.291 1.00 0.00 C ATOM 787 CG PRO A 80 -8.187 -28.284 0.080 1.00 0.00 C ATOM 788 CD PRO A 80 -7.107 -27.244 0.380 1.00 0.00 C ATOM 0 HA PRO A 80 -6.374 -27.792 -2.658 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.589 -29.234 -1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.994 -29.581 -1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.183 -27.842 0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.210 -29.076 0.828 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.476 -26.478 1.062 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.239 -27.702 0.854 1.00 0.00 H new ATOM 796 N THR A 81 -9.028 -25.947 -2.401 1.00 0.00 N ATOM 797 CA THR A 81 -10.179 -25.399 -3.103 1.00 0.00 C ATOM 798 C THR A 81 -10.312 -23.907 -2.788 1.00 0.00 C ATOM 799 O THR A 81 -9.707 -23.404 -1.835 1.00 0.00 O ATOM 800 CB THR A 81 -11.428 -26.186 -2.651 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.457 -26.182 -1.233 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.438 -27.638 -3.131 1.00 0.00 C ATOM 0 H THR A 81 -8.878 -25.532 -1.481 1.00 0.00 H new ATOM 0 HA THR A 81 -10.063 -25.496 -4.182 1.00 0.00 H new ATOM 0 HB THR A 81 -12.299 -25.699 -3.089 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.146 -26.803 -0.918 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.343 -28.132 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.414 -27.661 -4.220 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.564 -28.157 -2.737 1.00 0.00 H new ATOM 810 N LEU A 82 -11.157 -23.205 -3.556 1.00 0.00 N ATOM 811 CA LEU A 82 -11.527 -21.824 -3.245 1.00 0.00 C ATOM 812 C LEU A 82 -12.217 -21.773 -1.900 1.00 0.00 C ATOM 813 O LEU A 82 -11.944 -20.863 -1.127 1.00 0.00 O ATOM 814 CB LEU A 82 -12.475 -21.224 -4.304 1.00 0.00 C ATOM 815 CG LEU A 82 -11.834 -20.735 -5.616 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.679 -19.767 -5.354 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.349 -21.888 -6.498 1.00 0.00 C ATOM 0 H LEU A 82 -11.596 -23.575 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.608 -21.238 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.225 -21.975 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.002 -20.385 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.622 -20.208 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.252 -19.444 -6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.049 -18.899 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.912 -20.267 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.906 -21.487 -7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.603 -22.471 -5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.192 -22.529 -6.756 1.00 0.00 H new ATOM 829 N GLU A 83 -13.088 -22.742 -1.602 1.00 0.00 N ATOM 830 CA GLU A 83 -13.750 -22.764 -0.309 1.00 0.00 C ATOM 831 C GLU A 83 -12.692 -22.886 0.781 1.00 0.00 C ATOM 832 O GLU A 83 -12.728 -22.077 1.693 1.00 0.00 O ATOM 833 CB GLU A 83 -14.871 -23.816 -0.221 1.00 0.00 C ATOM 834 CG GLU A 83 -14.431 -25.285 -0.275 1.00 0.00 C ATOM 835 CD GLU A 83 -15.614 -26.243 -0.049 1.00 0.00 C ATOM 836 OE1 GLU A 83 -15.889 -26.576 1.129 1.00 0.00 O ATOM 837 OE2 GLU A 83 -16.267 -26.664 -1.035 1.00 0.00 O ATOM 0 H GLU A 83 -13.343 -23.504 -2.230 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.281 -21.823 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.417 -23.657 0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.571 -23.639 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.975 -25.493 -1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.668 -25.464 0.482 1.00 0.00 H new ATOM 844 N ALA A 84 -11.717 -23.795 0.682 1.00 0.00 N ATOM 845 CA ALA A 84 -10.711 -23.979 1.729 1.00 0.00 C ATOM 846 C ALA A 84 -9.891 -22.705 1.944 1.00 0.00 C ATOM 847 O ALA A 84 -9.650 -22.314 3.088 1.00 0.00 O ATOM 848 CB ALA A 84 -9.811 -25.162 1.385 1.00 0.00 C ATOM 0 H ALA A 84 -11.604 -24.417 -0.118 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.224 -24.193 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.065 -25.292 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.414 -26.066 1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.310 -24.974 0.435 1.00 0.00 H new ATOM 854 N TYR A 85 -9.516 -22.026 0.857 1.00 0.00 N ATOM 855 CA TYR A 85 -8.882 -20.723 0.942 1.00 0.00 C ATOM 856 C TYR A 85 -9.767 -19.742 1.725 1.00 0.00 C ATOM 857 O TYR A 85 -9.299 -19.138 2.691 1.00 0.00 O ATOM 858 CB TYR A 85 -8.557 -20.225 -0.470 1.00 0.00 C ATOM 859 CG TYR A 85 -8.130 -18.776 -0.498 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.838 -18.423 -0.064 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.024 -17.788 -0.944 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.435 -17.078 -0.046 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.625 -16.440 -0.937 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.331 -16.076 -0.485 1.00 0.00 C ATOM 865 OH TYR A 85 -6.953 -14.763 -0.472 1.00 0.00 O ATOM 0 H TYR A 85 -9.645 -22.367 -0.096 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.944 -20.800 1.493 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.763 -20.841 -0.893 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.433 -20.353 -1.106 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.152 -19.192 0.257 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.010 -18.062 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.448 -16.811 0.301 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.308 -15.677 -1.278 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.576 -14.238 -1.016 1.00 0.00 H new ATOM 875 N LEU A 86 -11.058 -19.629 1.378 1.00 0.00 N ATOM 876 CA LEU A 86 -12.005 -18.751 2.070 1.00 0.00 C ATOM 877 C LEU A 86 -12.242 -19.160 3.535 1.00 0.00 C ATOM 878 O LEU A 86 -12.363 -18.283 4.390 1.00 0.00 O ATOM 879 CB LEU A 86 -13.328 -18.709 1.285 1.00 0.00 C ATOM 880 CG LEU A 86 -13.207 -18.055 -0.111 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.340 -18.538 -1.013 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.232 -16.527 -0.014 1.00 0.00 C ATOM 0 H LEU A 86 -11.474 -20.148 0.605 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.568 -17.753 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.702 -19.726 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.068 -18.162 1.869 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.250 -18.351 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.247 -18.073 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.284 -19.621 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.298 -18.265 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.145 -16.098 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.170 -16.206 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.398 -16.188 0.601 1.00 0.00 H new ATOM 894 N ARG A 87 -12.263 -20.461 3.862 1.00 0.00 N ATOM 895 CA ARG A 87 -12.312 -20.940 5.264 1.00 0.00 C ATOM 896 C ARG A 87 -11.107 -20.410 6.047 1.00 0.00 C ATOM 897 O ARG A 87 -11.233 -20.122 7.236 1.00 0.00 O ATOM 898 CB ARG A 87 -12.294 -22.486 5.407 1.00 0.00 C ATOM 899 CG ARG A 87 -13.622 -23.265 5.304 1.00 0.00 C ATOM 900 CD ARG A 87 -14.075 -23.460 3.855 1.00 0.00 C ATOM 901 NE ARG A 87 -14.982 -24.598 3.588 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.129 -24.967 4.182 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.590 -24.365 5.278 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.820 -25.964 3.649 1.00 0.00 N ATOM 0 H ARG A 87 -12.247 -21.212 3.171 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.259 -20.568 5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.623 -22.879 4.643 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.849 -22.721 6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.506 -24.239 5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.396 -22.731 5.855 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.571 -22.546 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.187 -23.580 3.234 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.686 -25.205 2.824 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.067 -23.595 5.695 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.466 -24.674 5.700 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.477 -26.430 2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.695 -26.265 4.079 1.00 0.00 H new ATOM 918 N SER A 88 -9.952 -20.294 5.399 1.00 0.00 N ATOM 919 CA SER A 88 -8.665 -20.006 6.029 1.00 0.00 C ATOM 920 C SER A 88 -8.400 -18.504 6.274 1.00 0.00 C ATOM 921 O SER A 88 -7.275 -18.136 6.620 1.00 0.00 O ATOM 922 CB SER A 88 -7.565 -20.681 5.201 1.00 0.00 C ATOM 923 OG SER A 88 -7.842 -22.072 5.087 1.00 0.00 O ATOM 0 H SER A 88 -9.882 -20.401 4.387 1.00 0.00 H new ATOM 0 HA SER A 88 -8.675 -20.422 7.037 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.511 -20.228 4.211 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.595 -20.530 5.674 1.00 0.00 H new ATOM 0 HG SER A 88 -8.461 -22.222 4.342 1.00 0.00 H new ATOM 929 N VAL A 89 -9.407 -17.630 6.131 1.00 0.00 N ATOM 930 CA VAL A 89 -9.319 -16.190 6.421 1.00 0.00 C ATOM 931 C VAL A 89 -10.488 -15.746 7.343 1.00 0.00 C ATOM 932 O VAL A 89 -11.114 -14.714 7.106 1.00 0.00 O ATOM 933 CB VAL A 89 -9.132 -15.443 5.068 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.203 -15.804 4.025 1.00 0.00 C ATOM 935 CG2 VAL A 89 -8.991 -13.918 5.186 1.00 0.00 C ATOM 0 H VAL A 89 -10.330 -17.912 5.802 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.447 -15.922 7.017 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.170 -15.812 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.016 -15.250 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.164 -16.874 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.189 -15.545 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.865 -13.486 4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.886 -13.505 5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.121 -13.679 5.798 1.00 0.00 H new ATOM 945 N PRO A 90 -10.817 -16.479 8.430 1.00 0.00 N ATOM 946 CA PRO A 90 -12.037 -16.230 9.199 1.00 0.00 C ATOM 947 C PRO A 90 -12.009 -14.909 9.994 1.00 0.00 C ATOM 948 O PRO A 90 -13.063 -14.428 10.413 1.00 0.00 O ATOM 949 CB PRO A 90 -12.171 -17.441 10.131 1.00 0.00 C ATOM 950 CG PRO A 90 -10.719 -17.833 10.402 1.00 0.00 C ATOM 951 CD PRO A 90 -10.020 -17.519 9.082 1.00 0.00 C ATOM 0 HA PRO A 90 -12.891 -16.115 8.531 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.698 -17.186 11.050 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.726 -18.252 9.660 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.295 -17.262 11.228 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.629 -18.887 10.664 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.000 -17.176 9.255 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.955 -18.409 8.456 1.00 0.00 H new ATOM 959 N ALA A 91 -10.827 -14.310 10.203 1.00 0.00 N ATOM 960 CA ALA A 91 -10.692 -13.057 10.941 1.00 0.00 C ATOM 961 C ALA A 91 -11.000 -11.822 10.082 1.00 0.00 C ATOM 962 O ALA A 91 -11.069 -10.716 10.620 1.00 0.00 O ATOM 963 CB ALA A 91 -9.274 -12.965 11.521 1.00 0.00 C ATOM 0 H ALA A 91 -9.941 -14.685 9.863 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.429 -13.064 11.744 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.167 -12.031 12.073 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.100 -13.806 12.192 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.547 -12.992 10.710 1.00 0.00 H new ATOM 969 N VAL A 92 -11.159 -11.986 8.762 1.00 0.00 N ATOM 970 CA VAL A 92 -11.328 -10.870 7.824 1.00 0.00 C ATOM 971 C VAL A 92 -12.487 -11.157 6.856 1.00 0.00 C ATOM 972 O VAL A 92 -13.099 -10.227 6.333 1.00 0.00 O ATOM 973 CB VAL A 92 -9.989 -10.598 7.089 1.00 0.00 C ATOM 974 CG1 VAL A 92 -10.034 -9.298 6.272 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.774 -10.505 8.031 1.00 0.00 C ATOM 0 H VAL A 92 -11.174 -12.902 8.313 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.591 -9.964 8.369 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.867 -11.462 6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.076 -9.148 5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.824 -9.365 5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.234 -8.457 6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.874 -10.314 7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.925 -9.692 8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.661 -11.444 8.573 1.00 0.00 H new ATOM 985 N VAL A 93 -12.841 -12.425 6.639 1.00 0.00 N ATOM 986 CA VAL A 93 -13.774 -12.888 5.622 1.00 0.00 C ATOM 987 C VAL A 93 -14.685 -13.936 6.271 1.00 0.00 C ATOM 988 O VAL A 93 -14.399 -14.460 7.346 1.00 0.00 O ATOM 989 CB VAL A 93 -12.934 -13.401 4.430 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.680 -14.215 3.362 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.205 -12.225 3.759 1.00 0.00 C ATOM 0 H VAL A 93 -12.464 -13.191 7.197 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.431 -12.111 5.231 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.240 -14.110 4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.982 -14.516 2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.117 -15.102 3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.471 -13.605 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.615 -12.594 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.936 -11.502 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.546 -11.745 4.483 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.823 -14.197 5.638 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.923 -15.010 6.158 1.00 0.00 C ATOM 1003 C ARG A 94 -17.533 -15.727 4.972 1.00 0.00 C ATOM 1004 O ARG A 94 -17.434 -15.241 3.848 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.896 -14.071 6.903 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.296 -14.632 7.223 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.090 -13.740 8.193 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.175 -12.335 7.735 1.00 0.00 N ATOM 1009 CZ ARG A 94 -20.511 -11.282 8.493 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -21.063 -11.457 9.694 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -20.281 -10.058 8.032 1.00 0.00 N ATOM 0 H ARG A 94 -16.016 -13.832 4.705 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.614 -15.768 6.878 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.428 -13.771 7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -18.020 -13.168 6.306 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.858 -14.743 6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.193 -15.628 7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.097 -14.142 8.309 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.620 -13.770 9.176 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.959 -12.152 6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -21.234 -12.400 10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.315 -10.648 10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.855 -9.930 7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.531 -9.245 8.596 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.176 -16.864 5.199 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.847 -17.626 4.154 1.00 0.00 C ATOM 1027 C ILE A 95 -20.121 -18.239 4.736 1.00 0.00 C ATOM 1028 O ILE A 95 -20.194 -18.499 5.940 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.903 -18.703 3.570 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.396 -19.696 4.634 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.702 -18.085 2.834 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.496 -20.801 4.077 1.00 0.00 C ATOM 0 H ILE A 95 -18.247 -17.288 6.124 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.119 -16.968 3.329 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.511 -19.255 2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.847 -19.145 5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.254 -20.154 5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -16.068 -18.880 2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -17.059 -17.466 2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.127 -17.471 3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -16.182 -21.458 4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.047 -21.379 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.618 -20.354 3.611 1.00 0.00 H new ATOM 1044 N GLU A 96 -21.104 -18.498 3.876 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.296 -19.268 4.194 1.00 0.00 C ATOM 1046 C GLU A 96 -22.384 -20.349 3.123 1.00 0.00 C ATOM 1047 O GLU A 96 -22.769 -20.070 1.989 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.553 -18.379 4.246 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.509 -17.356 5.393 1.00 0.00 C ATOM 1050 CD GLU A 96 -24.892 -16.740 5.687 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -25.548 -16.203 4.763 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -25.340 -16.792 6.860 1.00 0.00 O ATOM 0 H GLU A 96 -21.089 -18.166 2.912 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.236 -19.713 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.659 -17.852 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.435 -19.010 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -23.132 -17.840 6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.807 -16.561 5.140 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.953 -21.568 3.460 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.171 -22.746 2.631 1.00 0.00 C ATOM 1061 C ALA A 97 -23.625 -23.163 2.867 1.00 0.00 C ATOM 1062 O ALA A 97 -23.985 -23.599 3.968 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.168 -23.845 2.988 1.00 0.00 C ATOM 0 H ALA A 97 -21.441 -21.761 4.321 1.00 0.00 H new ATOM 0 HA ALA A 97 -22.011 -22.544 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.345 -24.718 2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.154 -23.480 2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.289 -24.122 4.035 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.834 -22.060 -1.907 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.286 -21.206 -0.857 1.00 0.00 C ATOM 1139 C ILE A 103 -21.311 -19.768 -1.343 1.00 0.00 C ATOM 1140 O ILE A 103 -20.948 -19.510 -2.488 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.892 -21.707 -0.391 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.193 -20.749 0.599 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.942 -22.119 -1.521 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.326 -19.655 -0.047 1.00 0.00 C ATOM 0 HA ILE A 103 -21.901 -21.254 0.042 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.130 -22.624 0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.954 -20.270 1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.566 -21.338 1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.995 -22.454 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.390 -22.930 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.764 -21.266 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.880 -19.037 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.536 -20.118 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.946 -19.034 -0.693 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.694 -18.854 -0.454 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.707 -17.413 -0.670 1.00 0.00 C ATOM 1158 C VAL A 104 -20.619 -16.832 0.236 1.00 0.00 C ATOM 1159 O VAL A 104 -20.534 -17.208 1.402 1.00 0.00 O ATOM 1160 CB VAL A 104 -23.112 -16.857 -0.337 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.230 -15.413 -0.847 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.257 -17.685 -0.949 1.00 0.00 C ATOM 0 H VAL A 104 -22.018 -19.112 0.478 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.503 -17.142 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.213 -16.906 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.220 -15.024 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.473 -14.794 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -23.081 -15.395 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.214 -17.240 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -24.158 -17.696 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -24.211 -18.706 -0.570 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.767 -15.957 -0.297 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.659 -15.351 0.433 1.00 0.00 C ATOM 1174 C CYS A 105 -19.056 -13.944 0.878 1.00 0.00 C ATOM 1175 O CYS A 105 -19.787 -13.271 0.152 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.413 -15.273 -0.471 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.195 -16.778 -1.466 1.00 0.00 S ATOM 0 H CYS A 105 -19.830 -15.645 -1.266 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.427 -15.961 1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.499 -14.411 -1.132 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.528 -15.115 0.145 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.015 -16.754 -2.475 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.508 -13.482 2.006 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.778 -12.186 2.626 1.00 0.00 C ATOM 1185 C TYR A 106 -17.519 -11.653 3.300 1.00 0.00 C ATOM 1186 O TYR A 106 -16.568 -12.400 3.526 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.845 -12.359 3.707 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.206 -12.721 3.177 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -22.013 -11.714 2.618 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.655 -14.052 3.247 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.313 -12.016 2.195 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.939 -14.371 2.777 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.780 -13.356 2.255 1.00 0.00 C ATOM 1194 OH TYR A 106 -25.033 -13.678 1.815 1.00 0.00 O ATOM 0 H TYR A 106 -17.831 -14.031 2.536 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.111 -11.493 1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.520 -13.133 4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.923 -11.433 4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.631 -10.709 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -21.018 -14.821 3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.958 -11.233 1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.287 -15.393 2.813 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.183 -14.640 1.930 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.519 -10.374 3.671 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.452 -9.803 4.482 1.00 0.00 C ATOM 1206 C ALA A 107 -16.792 -9.944 5.963 1.00 0.00 C ATOM 1207 O ALA A 107 -17.931 -10.247 6.325 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.271 -8.326 4.127 1.00 0.00 C ATOM 0 H ALA A 107 -18.253 -9.712 3.419 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.523 -10.337 4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.472 -7.901 4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.012 -8.234 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.199 -7.789 4.321 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.808 -9.652 6.808 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.974 -9.586 8.266 1.00 0.00 C ATOM 1216 C VAL A 108 -15.215 -8.410 8.899 1.00 0.00 C ATOM 1217 O VAL A 108 -15.615 -7.957 9.976 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.614 -10.965 8.875 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.515 -10.981 9.949 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.871 -11.621 9.456 1.00 0.00 C ATOM 0 H VAL A 108 -14.857 -9.451 6.500 1.00 0.00 H new ATOM 0 HA VAL A 108 -17.018 -9.376 8.499 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.199 -11.519 8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.358 -12.003 10.294 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.588 -10.594 9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.819 -10.357 10.790 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.612 -12.590 9.883 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.288 -10.982 10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.608 -11.758 8.665 1.00 0.00 H new ATOM 1230 N ALA A 109 -14.165 -7.881 8.255 1.00 0.00 N ATOM 1231 CA ALA A 109 -13.388 -6.751 8.746 1.00 0.00 C ATOM 1232 C ALA A 109 -13.045 -5.848 7.571 1.00 0.00 C ATOM 1233 O ALA A 109 -12.807 -4.640 7.796 1.00 0.00 O ATOM 1234 CB ALA A 109 -12.109 -7.241 9.441 1.00 0.00 C ATOM 1235 OXT ALA A 109 -13.047 -6.342 6.418 1.00 0.00 O ATOM 0 H ALA A 109 -13.831 -8.239 7.360 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.972 -6.193 9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.540 -6.384 9.802 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.375 -7.881 10.283 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.504 -7.806 8.732 1.00 0.00 H new