USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 753 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 67 MET CE :methyl -123:sc= -2.65! (180deg=-5.27!) USER MOD Set 1.2: A 70 SER OG : rot -88:sc= 0.879 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= -0.277 USER MOD Single : A -2 SER OG : rot 46:sc= 0.327 USER MOD Single : A -4 SER OG : rot 24:sc= 1.14 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 138:sc= 0.0564 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-4.4!) USER MOD Single : A 33 THR OG1 : rot 91:sc= 0.917 USER MOD Single : A 36 GLN : amide:sc= -6.92! C(o=-6.9!,f=-3.9!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -100:sc= -1.29 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -3.97! C(o=-4!,f=-11!) USER MOD Single : A 66 ASN : amide:sc= 1.01 K(o=1,f=-0.22) USER MOD Single : A 68 ASN : amide:sc=-0.00328 X(o=-0.0033,f=0.0072) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.123 X(o=0.12,f=-0.094) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00171) USER MOD Single : A 85 MET CE :methyl -129:sc= -0.598 (180deg=-3.01!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -9.833 -5.390 19.114 1.00 0.00 N ATOM 2 CA GLY A -6 -10.913 -4.623 18.520 1.00 0.00 C ATOM 3 C GLY A -6 -11.416 -3.526 19.438 1.00 0.00 C ATOM 4 O GLY A -6 -11.284 -3.619 20.658 1.00 0.00 O ATOM 0 H1 GLY A -6 -9.974 -6.401 18.914 1.00 0.00 H new ATOM 0 H2 GLY A -6 -8.925 -5.080 18.712 1.00 0.00 H new ATOM 0 H3 GLY A -6 -9.825 -5.239 20.143 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -10.569 -4.181 17.585 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -11.737 -5.292 18.273 1.00 0.00 H new ATOM 8 N SER A -5 -11.995 -2.484 18.849 1.00 0.00 N ATOM 9 CA SER A -5 -12.515 -1.362 19.622 1.00 0.00 C ATOM 10 C SER A -5 -13.505 -0.546 18.795 1.00 0.00 C ATOM 11 O SER A -5 -13.136 0.069 17.795 1.00 0.00 O ATOM 12 CB SER A -5 -11.369 -0.467 20.096 1.00 0.00 C ATOM 13 OG SER A -5 -11.726 0.238 21.273 1.00 0.00 O ATOM 0 H SER A -5 -12.116 -2.394 17.840 1.00 0.00 H new ATOM 0 HA SER A -5 -13.037 -1.762 20.491 1.00 0.00 H new ATOM 0 HB2 SER A -5 -10.484 -1.074 20.286 1.00 0.00 H new ATOM 0 HB3 SER A -5 -11.107 0.241 19.310 1.00 0.00 H new ATOM 0 HG SER A -5 -10.976 0.802 21.557 1.00 0.00 H new ATOM 19 N SER A -4 -14.764 -0.547 19.221 1.00 0.00 N ATOM 20 CA SER A -4 -15.809 0.190 18.519 1.00 0.00 C ATOM 21 C SER A -4 -16.814 0.779 19.504 1.00 0.00 C ATOM 22 O SER A -4 -17.620 0.059 20.092 1.00 0.00 O ATOM 23 CB SER A -4 -16.528 -0.725 17.526 1.00 0.00 C ATOM 24 OG SER A -4 -17.269 -1.727 18.200 1.00 0.00 O ATOM 0 H SER A -4 -15.085 -1.050 20.048 1.00 0.00 H new ATOM 0 HA SER A -4 -15.338 1.008 17.974 1.00 0.00 H new ATOM 0 HB2 SER A -4 -17.196 -0.134 16.900 1.00 0.00 H new ATOM 0 HB3 SER A -4 -15.799 -1.191 16.863 1.00 0.00 H new ATOM 0 HG SER A -4 -17.487 -1.420 19.105 1.00 0.00 H new ATOM 30 N GLY A -3 -16.758 2.096 19.680 1.00 0.00 N ATOM 31 CA GLY A -3 -17.668 2.761 20.595 1.00 0.00 C ATOM 32 C GLY A -3 -19.058 2.923 20.014 1.00 0.00 C ATOM 33 O GLY A -3 -19.476 2.143 19.159 1.00 0.00 O ATOM 0 H GLY A -3 -16.099 2.714 19.206 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -17.729 2.190 21.521 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -17.268 3.742 20.851 1.00 0.00 H new ATOM 37 N SER A -2 -19.778 3.939 20.480 1.00 0.00 N ATOM 38 CA SER A -2 -21.132 4.198 20.005 1.00 0.00 C ATOM 39 C SER A -2 -21.112 5.085 18.764 1.00 0.00 C ATOM 40 O SER A -2 -21.244 6.306 18.857 1.00 0.00 O ATOM 41 CB SER A -2 -21.963 4.860 21.105 1.00 0.00 C ATOM 42 OG SER A -2 -21.296 5.992 21.638 1.00 0.00 O ATOM 0 H SER A -2 -19.446 4.596 21.186 1.00 0.00 H new ATOM 0 HA SER A -2 -21.587 3.243 19.741 1.00 0.00 H new ATOM 0 HB2 SER A -2 -22.931 5.160 20.703 1.00 0.00 H new ATOM 0 HB3 SER A -2 -22.158 4.141 21.901 1.00 0.00 H new ATOM 0 HG SER A -2 -20.943 6.539 20.905 1.00 0.00 H new ATOM 48 N SER A -1 -20.945 4.463 17.601 1.00 0.00 N ATOM 49 CA SER A -1 -20.903 5.195 16.341 1.00 0.00 C ATOM 50 C SER A -1 -21.825 4.552 15.309 1.00 0.00 C ATOM 51 O SER A -1 -21.587 3.433 14.859 1.00 0.00 O ATOM 52 CB SER A -1 -19.472 5.243 15.802 1.00 0.00 C ATOM 53 OG SER A -1 -19.256 6.415 15.035 1.00 0.00 O ATOM 0 H SER A -1 -20.837 3.453 17.506 1.00 0.00 H new ATOM 0 HA SER A -1 -21.248 6.212 16.528 1.00 0.00 H new ATOM 0 HB2 SER A -1 -18.766 5.212 16.632 1.00 0.00 H new ATOM 0 HB3 SER A -1 -19.281 4.363 15.188 1.00 0.00 H new ATOM 0 HG SER A -1 -18.334 6.423 14.703 1.00 0.00 H new ATOM 59 N GLY A 0 -22.881 5.271 14.939 1.00 0.00 N ATOM 60 CA GLY A 0 -23.824 4.757 13.964 1.00 0.00 C ATOM 61 C GLY A 0 -24.042 5.713 12.808 1.00 0.00 C ATOM 62 O GLY A 0 -24.288 5.287 11.680 1.00 0.00 O ATOM 0 H GLY A 0 -23.100 6.200 15.298 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -23.461 3.804 13.580 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -24.778 4.561 14.454 1.00 0.00 H new ATOM 66 N MET A 1 -23.954 7.009 13.089 1.00 0.00 N ATOM 67 CA MET A 1 -24.145 8.028 12.063 1.00 0.00 C ATOM 68 C MET A 1 -22.803 8.541 11.552 1.00 0.00 C ATOM 69 O MET A 1 -22.537 8.520 10.350 1.00 0.00 O ATOM 70 CB MET A 1 -24.972 9.190 12.616 1.00 0.00 C ATOM 71 CG MET A 1 -25.200 10.306 11.610 1.00 0.00 C ATOM 72 SD MET A 1 -26.427 9.875 10.361 1.00 0.00 S ATOM 73 CE MET A 1 -25.486 10.128 8.859 1.00 0.00 C ATOM 0 H MET A 1 -23.752 7.378 14.018 1.00 0.00 H new ATOM 0 HA MET A 1 -24.682 7.574 11.230 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.938 8.811 12.951 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.469 9.599 13.492 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.523 11.204 12.136 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.257 10.546 11.119 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.111 9.901 7.995 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.157 11.166 8.806 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.616 9.471 8.860 1.00 0.00 H new ATOM 83 N ALA A 2 -21.961 9.003 12.471 1.00 0.00 N ATOM 84 CA ALA A 2 -20.646 9.520 12.112 1.00 0.00 C ATOM 85 C ALA A 2 -19.657 8.385 11.871 1.00 0.00 C ATOM 86 O ALA A 2 -18.530 8.414 12.366 1.00 0.00 O ATOM 87 CB ALA A 2 -20.131 10.450 13.200 1.00 0.00 C ATOM 0 H ALA A 2 -22.166 9.030 13.470 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.744 10.083 11.184 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.148 10.829 12.919 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.821 11.285 13.321 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.054 9.903 14.140 1.00 0.00 H new ATOM 93 N THR A 3 -20.086 7.384 11.108 1.00 0.00 N ATOM 94 CA THR A 3 -19.238 6.238 10.804 1.00 0.00 C ATOM 95 C THR A 3 -19.513 5.709 9.401 1.00 0.00 C ATOM 96 O THR A 3 -20.532 6.036 8.790 1.00 0.00 O ATOM 97 CB THR A 3 -19.446 5.099 11.820 1.00 0.00 C ATOM 98 OG1 THR A 3 -18.503 4.050 11.579 1.00 0.00 O ATOM 99 CG2 THR A 3 -20.861 4.546 11.731 1.00 0.00 C ATOM 0 H THR A 3 -21.015 7.344 10.690 1.00 0.00 H new ATOM 0 HA THR A 3 -18.206 6.583 10.864 1.00 0.00 H new ATOM 0 HB THR A 3 -19.293 5.502 12.821 1.00 0.00 H new ATOM 0 HG1 THR A 3 -18.641 3.331 12.230 1.00 0.00 H new ATOM 0 HG21 THR A 3 -20.984 3.743 12.458 1.00 0.00 H new ATOM 0 HG22 THR A 3 -21.576 5.341 11.944 1.00 0.00 H new ATOM 0 HG23 THR A 3 -21.037 4.158 10.728 1.00 0.00 H new ATOM 107 N THR A 4 -18.599 4.888 8.893 1.00 0.00 N ATOM 108 CA THR A 4 -18.743 4.313 7.562 1.00 0.00 C ATOM 109 C THR A 4 -18.470 2.813 7.578 1.00 0.00 C ATOM 110 O THR A 4 -17.684 2.323 8.388 1.00 0.00 O ATOM 111 CB THR A 4 -17.792 4.986 6.554 1.00 0.00 C ATOM 112 OG1 THR A 4 -17.785 6.403 6.757 1.00 0.00 O ATOM 113 CG2 THR A 4 -18.210 4.675 5.125 1.00 0.00 C ATOM 0 H THR A 4 -17.751 4.606 9.384 1.00 0.00 H new ATOM 0 HA THR A 4 -19.773 4.488 7.252 1.00 0.00 H new ATOM 0 HB THR A 4 -16.789 4.592 6.716 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.177 6.823 6.113 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.524 5.161 4.431 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.185 3.597 4.965 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.221 5.044 4.953 1.00 0.00 H new ATOM 121 N LYS A 5 -19.124 2.088 6.677 1.00 0.00 N ATOM 122 CA LYS A 5 -18.952 0.643 6.585 1.00 0.00 C ATOM 123 C LYS A 5 -18.377 0.249 5.228 1.00 0.00 C ATOM 124 O LYS A 5 -17.634 -0.727 5.118 1.00 0.00 O ATOM 125 CB LYS A 5 -20.289 -0.066 6.810 1.00 0.00 C ATOM 126 CG LYS A 5 -20.571 -0.384 8.269 1.00 0.00 C ATOM 127 CD LYS A 5 -20.936 0.866 9.051 1.00 0.00 C ATOM 128 CE LYS A 5 -21.722 0.527 10.308 1.00 0.00 C ATOM 129 NZ LYS A 5 -23.167 0.312 10.018 1.00 0.00 N ATOM 0 H LYS A 5 -19.779 2.478 5.999 1.00 0.00 H new ATOM 0 HA LYS A 5 -18.250 0.336 7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -21.092 0.560 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -20.300 -0.993 6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -21.385 -1.106 8.334 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -19.694 -0.851 8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -20.028 1.405 9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -21.525 1.532 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -21.306 -0.371 10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -21.613 1.334 11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -23.668 0.083 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -23.571 1.177 9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -23.273 -0.475 9.346 1.00 0.00 H new ATOM 143 N ARG A 6 -18.724 1.014 4.199 1.00 0.00 N ATOM 144 CA ARG A 6 -18.242 0.744 2.850 1.00 0.00 C ATOM 145 C ARG A 6 -16.724 0.876 2.778 1.00 0.00 C ATOM 146 O ARG A 6 -16.078 0.280 1.916 1.00 0.00 O ATOM 147 CB ARG A 6 -18.896 1.701 1.851 1.00 0.00 C ATOM 148 CG ARG A 6 -20.273 1.253 1.389 1.00 0.00 C ATOM 149 CD ARG A 6 -21.367 1.792 2.297 1.00 0.00 C ATOM 150 NE ARG A 6 -21.645 0.893 3.414 1.00 0.00 N ATOM 151 CZ ARG A 6 -22.750 0.954 4.149 1.00 0.00 C ATOM 152 NH1 ARG A 6 -23.675 1.866 3.887 1.00 0.00 N ATOM 153 NH2 ARG A 6 -22.930 0.101 5.149 1.00 0.00 N ATOM 0 H ARG A 6 -19.337 1.826 4.273 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.513 -0.280 2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.978 2.688 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.247 1.805 0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.445 1.595 0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -20.316 0.164 1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -21.070 2.767 2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -22.278 1.942 1.717 1.00 0.00 H new ATOM 0 HE ARG A 6 -20.953 0.179 3.642 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -23.540 2.524 3.119 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -24.522 1.910 4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -22.220 -0.602 5.354 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -23.779 0.148 5.713 1.00 0.00 H new ATOM 167 N VAL A 7 -16.160 1.662 3.690 1.00 0.00 N ATOM 168 CA VAL A 7 -14.718 1.873 3.730 1.00 0.00 C ATOM 169 C VAL A 7 -14.032 0.812 4.584 1.00 0.00 C ATOM 170 O VAL A 7 -14.101 0.848 5.813 1.00 0.00 O ATOM 171 CB VAL A 7 -14.369 3.266 4.286 1.00 0.00 C ATOM 172 CG1 VAL A 7 -12.873 3.523 4.184 1.00 0.00 C ATOM 173 CG2 VAL A 7 -15.155 4.343 3.552 1.00 0.00 C ATOM 0 H VAL A 7 -16.680 2.163 4.411 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.359 1.799 2.703 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.647 3.298 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.646 4.512 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.334 2.769 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.566 3.473 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.897 5.322 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.909 4.313 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.223 4.167 3.682 1.00 0.00 H new ATOM 183 N LEU A 8 -13.369 -0.132 3.924 1.00 0.00 N ATOM 184 CA LEU A 8 -12.668 -1.205 4.622 1.00 0.00 C ATOM 185 C LEU A 8 -11.265 -0.765 5.027 1.00 0.00 C ATOM 186 O LEU A 8 -10.647 0.064 4.360 1.00 0.00 O ATOM 187 CB LEU A 8 -12.590 -2.450 3.737 1.00 0.00 C ATOM 188 CG LEU A 8 -13.873 -2.829 2.997 1.00 0.00 C ATOM 189 CD1 LEU A 8 -13.658 -4.082 2.163 1.00 0.00 C ATOM 190 CD2 LEU A 8 -15.017 -3.030 3.980 1.00 0.00 C ATOM 0 H LEU A 8 -13.302 -0.176 2.907 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.228 -1.445 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.801 -2.299 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.289 -3.294 4.358 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.137 -2.012 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.582 -4.336 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.869 -3.902 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.369 -4.907 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.922 -3.299 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.762 -3.828 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.188 -2.107 4.533 1.00 0.00 H new ATOM 202 N TYR A 9 -10.767 -1.328 6.123 1.00 0.00 N ATOM 203 CA TYR A 9 -9.437 -0.995 6.617 1.00 0.00 C ATOM 204 C TYR A 9 -8.484 -2.175 6.456 1.00 0.00 C ATOM 205 O TYR A 9 -8.716 -3.255 7.000 1.00 0.00 O ATOM 206 CB TYR A 9 -9.505 -0.577 8.087 1.00 0.00 C ATOM 207 CG TYR A 9 -8.183 -0.691 8.811 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.745 -1.910 9.311 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.371 0.422 8.993 1.00 0.00 C ATOM 210 CE1 TYR A 9 -6.537 -2.018 9.974 1.00 0.00 C ATOM 211 CE2 TYR A 9 -6.162 0.323 9.654 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.750 -0.899 10.142 1.00 0.00 C ATOM 213 OH TYR A 9 -4.546 -1.002 10.801 1.00 0.00 O ATOM 0 H TYR A 9 -11.265 -2.017 6.686 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.057 -0.161 6.026 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.855 0.454 8.147 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.244 -1.195 8.598 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.359 -2.789 9.180 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.690 1.380 8.611 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.212 -2.974 10.358 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.543 1.198 9.788 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.114 -0.123 10.833 1.00 0.00 H new ATOM 223 N VAL A 10 -7.409 -1.962 5.703 1.00 0.00 N ATOM 224 CA VAL A 10 -6.419 -3.006 5.471 1.00 0.00 C ATOM 225 C VAL A 10 -5.118 -2.703 6.205 1.00 0.00 C ATOM 226 O VAL A 10 -4.659 -1.562 6.231 1.00 0.00 O ATOM 227 CB VAL A 10 -6.121 -3.173 3.969 1.00 0.00 C ATOM 228 CG1 VAL A 10 -5.163 -4.332 3.739 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.412 -3.376 3.190 1.00 0.00 C ATOM 0 H VAL A 10 -7.202 -1.075 5.243 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.842 -3.934 5.856 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.644 -2.262 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.965 -4.434 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.228 -4.141 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.609 -5.253 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.183 -3.492 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.919 -4.271 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.060 -2.511 3.328 1.00 0.00 H new ATOM 239 N GLY A 11 -4.526 -3.734 6.800 1.00 0.00 N ATOM 240 CA GLY A 11 -3.282 -3.558 7.526 1.00 0.00 C ATOM 241 C GLY A 11 -2.262 -4.631 7.199 1.00 0.00 C ATOM 242 O GLY A 11 -2.547 -5.558 6.442 1.00 0.00 O ATOM 0 H GLY A 11 -4.886 -4.688 6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.863 -2.579 7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.485 -3.569 8.597 1.00 0.00 H new ATOM 246 N GLY A 12 -1.068 -4.505 7.771 1.00 0.00 N ATOM 247 CA GLY A 12 -0.020 -5.477 7.523 1.00 0.00 C ATOM 248 C GLY A 12 0.303 -5.618 6.048 1.00 0.00 C ATOM 249 O GLY A 12 0.654 -6.703 5.582 1.00 0.00 O ATOM 0 H GLY A 12 -0.808 -3.747 8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.880 -5.182 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.326 -6.445 7.919 1.00 0.00 H new ATOM 253 N LEU A 13 0.183 -4.519 5.311 1.00 0.00 N ATOM 254 CA LEU A 13 0.464 -4.524 3.880 1.00 0.00 C ATOM 255 C LEU A 13 1.961 -4.658 3.619 1.00 0.00 C ATOM 256 O LEU A 13 2.750 -4.826 4.548 1.00 0.00 O ATOM 257 CB LEU A 13 -0.066 -3.244 3.231 1.00 0.00 C ATOM 258 CG LEU A 13 -1.586 -3.124 3.126 1.00 0.00 C ATOM 259 CD1 LEU A 13 -1.979 -1.754 2.595 1.00 0.00 C ATOM 260 CD2 LEU A 13 -2.147 -4.224 2.236 1.00 0.00 C ATOM 0 H LEU A 13 -0.107 -3.614 5.681 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.041 -5.383 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.307 -2.391 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.354 -3.168 2.228 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.010 -3.239 4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.065 -1.688 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.610 -0.982 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.544 -1.609 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.230 -4.123 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.716 -4.140 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.897 -5.197 2.659 1.00 0.00 H new ATOM 272 N ALA A 14 2.344 -4.581 2.348 1.00 0.00 N ATOM 273 CA ALA A 14 3.746 -4.690 1.966 1.00 0.00 C ATOM 274 C ALA A 14 4.339 -3.318 1.660 1.00 0.00 C ATOM 275 O ALA A 14 3.643 -2.306 1.712 1.00 0.00 O ATOM 276 CB ALA A 14 3.896 -5.611 0.764 1.00 0.00 C ATOM 0 H ALA A 14 1.703 -4.444 1.567 1.00 0.00 H new ATOM 0 HA ALA A 14 4.294 -5.116 2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.949 -5.683 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.518 -6.602 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.329 -5.209 -0.076 1.00 0.00 H new ATOM 282 N GLU A 15 5.630 -3.295 1.341 1.00 0.00 N ATOM 283 CA GLU A 15 6.316 -2.046 1.029 1.00 0.00 C ATOM 284 C GLU A 15 6.073 -1.641 -0.422 1.00 0.00 C ATOM 285 O GLU A 15 6.265 -0.483 -0.793 1.00 0.00 O ATOM 286 CB GLU A 15 7.818 -2.186 1.287 1.00 0.00 C ATOM 287 CG GLU A 15 8.526 -3.083 0.286 1.00 0.00 C ATOM 288 CD GLU A 15 10.028 -3.115 0.494 1.00 0.00 C ATOM 289 OE1 GLU A 15 10.661 -2.041 0.426 1.00 0.00 O ATOM 290 OE2 GLU A 15 10.571 -4.217 0.724 1.00 0.00 O ATOM 0 H GLU A 15 6.221 -4.125 1.292 1.00 0.00 H new ATOM 0 HA GLU A 15 5.914 -1.267 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.276 -1.197 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.970 -2.584 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.130 -4.095 0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.310 -2.736 -0.724 1.00 0.00 H new ATOM 297 N GLU A 16 5.652 -2.603 -1.237 1.00 0.00 N ATOM 298 CA GLU A 16 5.384 -2.346 -2.647 1.00 0.00 C ATOM 299 C GLU A 16 3.886 -2.387 -2.933 1.00 0.00 C ATOM 300 O GLU A 16 3.466 -2.521 -4.083 1.00 0.00 O ATOM 301 CB GLU A 16 6.110 -3.371 -3.521 1.00 0.00 C ATOM 302 CG GLU A 16 6.341 -2.900 -4.947 1.00 0.00 C ATOM 303 CD GLU A 16 7.363 -1.782 -5.035 1.00 0.00 C ATOM 304 OE1 GLU A 16 8.449 -1.925 -4.436 1.00 0.00 O ATOM 305 OE2 GLU A 16 7.076 -0.766 -5.700 1.00 0.00 O ATOM 0 H GLU A 16 5.489 -3.567 -0.945 1.00 0.00 H new ATOM 0 HA GLU A 16 5.754 -1.349 -2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.071 -3.608 -3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.530 -4.294 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.676 -3.741 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.397 -2.558 -5.370 1.00 0.00 H new ATOM 312 N VAL A 17 3.085 -2.271 -1.879 1.00 0.00 N ATOM 313 CA VAL A 17 1.633 -2.295 -2.016 1.00 0.00 C ATOM 314 C VAL A 17 1.047 -0.893 -1.891 1.00 0.00 C ATOM 315 O VAL A 17 1.329 -0.174 -0.933 1.00 0.00 O ATOM 316 CB VAL A 17 0.985 -3.206 -0.957 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.531 -3.176 -1.083 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.510 -4.628 -1.085 1.00 0.00 C ATOM 0 H VAL A 17 3.416 -2.159 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 17 1.414 -2.691 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 17 1.252 -2.832 0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.972 -3.826 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.888 -2.156 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.821 -3.525 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.042 -5.258 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.275 -5.015 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.590 -4.631 -0.941 1.00 0.00 H new ATOM 328 N ASP A 18 0.230 -0.511 -2.866 1.00 0.00 N ATOM 329 CA ASP A 18 -0.399 0.805 -2.865 1.00 0.00 C ATOM 330 C ASP A 18 -1.825 0.727 -3.402 1.00 0.00 C ATOM 331 O ASP A 18 -2.268 -0.325 -3.864 1.00 0.00 O ATOM 332 CB ASP A 18 0.422 1.786 -3.704 1.00 0.00 C ATOM 333 CG ASP A 18 -0.111 3.203 -3.624 1.00 0.00 C ATOM 334 OD1 ASP A 18 -0.324 3.693 -2.495 1.00 0.00 O ATOM 335 OD2 ASP A 18 -0.316 3.822 -4.689 1.00 0.00 O ATOM 0 H ASP A 18 -0.012 -1.094 -3.667 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.437 1.162 -1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.458 1.771 -3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.422 1.459 -4.744 1.00 0.00 H new ATOM 340 N ASP A 19 -2.538 1.845 -3.337 1.00 0.00 N ATOM 341 CA ASP A 19 -3.914 1.904 -3.817 1.00 0.00 C ATOM 342 C ASP A 19 -4.056 1.178 -5.151 1.00 0.00 C ATOM 343 O ASP A 19 -5.115 0.636 -5.466 1.00 0.00 O ATOM 344 CB ASP A 19 -4.364 3.358 -3.962 1.00 0.00 C ATOM 345 CG ASP A 19 -3.347 4.209 -4.698 1.00 0.00 C ATOM 346 OD1 ASP A 19 -3.160 3.991 -5.913 1.00 0.00 O ATOM 347 OD2 ASP A 19 -2.738 5.091 -4.058 1.00 0.00 O ATOM 0 H ASP A 19 -2.186 2.724 -2.956 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.550 1.407 -3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.314 3.390 -4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.540 3.781 -2.973 1.00 0.00 H new ATOM 352 N LYS A 20 -2.981 1.173 -5.933 1.00 0.00 N ATOM 353 CA LYS A 20 -2.984 0.515 -7.234 1.00 0.00 C ATOM 354 C LYS A 20 -3.027 -1.002 -7.076 1.00 0.00 C ATOM 355 O LYS A 20 -3.864 -1.675 -7.677 1.00 0.00 O ATOM 356 CB LYS A 20 -1.746 0.920 -8.036 1.00 0.00 C ATOM 357 CG LYS A 20 -0.437 0.501 -7.388 1.00 0.00 C ATOM 358 CD LYS A 20 0.727 1.337 -7.892 1.00 0.00 C ATOM 359 CE LYS A 20 1.216 0.851 -9.249 1.00 0.00 C ATOM 360 NZ LYS A 20 1.843 1.948 -10.037 1.00 0.00 N ATOM 0 H LYS A 20 -2.096 1.618 -5.688 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.877 0.832 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.807 0.478 -9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.747 2.002 -8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.517 0.602 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.247 -0.552 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.421 2.381 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.545 1.295 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.938 0.046 -9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.379 0.434 -9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.163 1.577 -10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.147 2.705 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.657 2.329 -9.514 1.00 0.00 H new ATOM 374 N VAL A 21 -2.121 -1.533 -6.262 1.00 0.00 N ATOM 375 CA VAL A 21 -2.057 -2.970 -6.023 1.00 0.00 C ATOM 376 C VAL A 21 -3.336 -3.475 -5.365 1.00 0.00 C ATOM 377 O VAL A 21 -3.934 -4.455 -5.813 1.00 0.00 O ATOM 378 CB VAL A 21 -0.855 -3.338 -5.133 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.830 -4.835 -4.862 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.445 -2.884 -5.780 1.00 0.00 C ATOM 0 H VAL A 21 -1.421 -0.990 -5.757 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.939 -3.448 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.960 -2.822 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.026 -5.076 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.749 -5.128 -4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.749 -5.374 -5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.284 -3.152 -5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.559 -3.371 -6.748 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.425 -1.803 -5.918 1.00 0.00 H new ATOM 390 N LEU A 22 -3.752 -2.800 -4.299 1.00 0.00 N ATOM 391 CA LEU A 22 -4.962 -3.180 -3.577 1.00 0.00 C ATOM 392 C LEU A 22 -6.186 -3.093 -4.483 1.00 0.00 C ATOM 393 O LEU A 22 -7.106 -3.906 -4.382 1.00 0.00 O ATOM 394 CB LEU A 22 -5.154 -2.280 -2.355 1.00 0.00 C ATOM 395 CG LEU A 22 -4.305 -2.622 -1.130 1.00 0.00 C ATOM 396 CD1 LEU A 22 -4.470 -1.561 -0.053 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.677 -3.996 -0.590 1.00 0.00 C ATOM 0 H LEU A 22 -3.270 -1.987 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.849 -4.213 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.937 -1.253 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.204 -2.314 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.258 -2.644 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.858 -1.821 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.153 -0.594 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.517 -1.506 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.063 -4.223 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.729 -4.002 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.506 -4.748 -1.360 1.00 0.00 H new ATOM 409 N HIS A 23 -6.190 -2.104 -5.371 1.00 0.00 N ATOM 410 CA HIS A 23 -7.300 -1.913 -6.298 1.00 0.00 C ATOM 411 C HIS A 23 -7.446 -3.116 -7.226 1.00 0.00 C ATOM 412 O HIS A 23 -8.525 -3.697 -7.339 1.00 0.00 O ATOM 413 CB HIS A 23 -7.091 -0.642 -7.122 1.00 0.00 C ATOM 414 CG HIS A 23 -7.992 -0.546 -8.314 1.00 0.00 C ATOM 415 ND1 HIS A 23 -7.835 -1.326 -9.441 1.00 0.00 N ATOM 416 CD2 HIS A 23 -9.067 0.242 -8.551 1.00 0.00 C ATOM 417 CE1 HIS A 23 -8.772 -1.019 -10.320 1.00 0.00 C ATOM 418 NE2 HIS A 23 -9.533 -0.071 -9.804 1.00 0.00 N ATOM 0 H HIS A 23 -5.437 -1.423 -5.468 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.215 -1.813 -5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.254 0.226 -6.483 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.054 -0.602 -7.456 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.481 0.980 -7.879 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.895 -1.467 -11.295 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.337 0.359 -10.262 1.00 0.00 H new ATOM 426 N ALA A 24 -6.354 -3.483 -7.887 1.00 0.00 N ATOM 427 CA ALA A 24 -6.360 -4.617 -8.803 1.00 0.00 C ATOM 428 C ALA A 24 -6.546 -5.930 -8.051 1.00 0.00 C ATOM 429 O ALA A 24 -6.821 -6.968 -8.652 1.00 0.00 O ATOM 430 CB ALA A 24 -5.073 -4.649 -9.614 1.00 0.00 C ATOM 0 H ALA A 24 -5.453 -3.012 -7.806 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.202 -4.496 -9.484 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.092 -5.501 -10.293 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.983 -3.728 -10.190 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.221 -4.741 -8.941 1.00 0.00 H new ATOM 436 N ALA A 25 -6.394 -5.877 -6.731 1.00 0.00 N ATOM 437 CA ALA A 25 -6.546 -7.062 -5.897 1.00 0.00 C ATOM 438 C ALA A 25 -7.933 -7.114 -5.265 1.00 0.00 C ATOM 439 O ALA A 25 -8.357 -8.153 -4.759 1.00 0.00 O ATOM 440 CB ALA A 25 -5.472 -7.091 -4.820 1.00 0.00 C ATOM 0 H ALA A 25 -6.166 -5.026 -6.217 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.431 -7.940 -6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.598 -7.982 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.488 -7.109 -5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.560 -6.203 -4.195 1.00 0.00 H new ATOM 446 N PHE A 26 -8.635 -5.986 -5.297 1.00 0.00 N ATOM 447 CA PHE A 26 -9.974 -5.903 -4.725 1.00 0.00 C ATOM 448 C PHE A 26 -11.007 -5.591 -5.804 1.00 0.00 C ATOM 449 O PHE A 26 -12.199 -5.464 -5.519 1.00 0.00 O ATOM 450 CB PHE A 26 -10.020 -4.831 -3.634 1.00 0.00 C ATOM 451 CG PHE A 26 -9.432 -5.281 -2.327 1.00 0.00 C ATOM 452 CD1 PHE A 26 -8.172 -5.854 -2.279 1.00 0.00 C ATOM 453 CD2 PHE A 26 -10.141 -5.132 -1.145 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.628 -6.269 -1.078 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.603 -5.545 0.059 1.00 0.00 C ATOM 456 CZ PHE A 26 -8.345 -6.115 0.092 1.00 0.00 C ATOM 0 H PHE A 26 -8.299 -5.117 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.215 -6.870 -4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.483 -3.948 -3.980 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.056 -4.531 -3.473 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.607 -5.978 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.125 -4.688 -1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.644 -6.713 -1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.165 -5.422 0.973 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.923 -6.440 1.032 1.00 0.00 H new ATOM 466 N ILE A 27 -10.542 -5.467 -7.042 1.00 0.00 N ATOM 467 CA ILE A 27 -11.425 -5.170 -8.163 1.00 0.00 C ATOM 468 C ILE A 27 -12.489 -6.250 -8.326 1.00 0.00 C ATOM 469 O ILE A 27 -13.614 -5.989 -8.752 1.00 0.00 O ATOM 470 CB ILE A 27 -10.638 -5.038 -9.480 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.455 -4.258 -10.512 1.00 0.00 C ATOM 472 CG2 ILE A 27 -10.270 -6.413 -10.017 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.707 -2.819 -10.121 1.00 0.00 C ATOM 0 H ILE A 27 -9.559 -5.568 -7.294 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.908 -4.218 -7.941 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.718 -4.488 -9.283 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.933 -4.280 -11.469 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.412 -4.759 -10.660 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.714 -6.303 -10.948 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.654 -6.936 -9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.178 -6.986 -10.202 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.291 -2.328 -10.899 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.257 -2.788 -9.180 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.755 -2.302 -10.002 1.00 0.00 H new ATOM 485 N PRO A 28 -12.128 -7.494 -7.977 1.00 0.00 N ATOM 486 CA PRO A 28 -13.038 -8.639 -8.073 1.00 0.00 C ATOM 487 C PRO A 28 -14.267 -8.479 -7.185 1.00 0.00 C ATOM 488 O PRO A 28 -15.399 -8.475 -7.669 1.00 0.00 O ATOM 489 CB PRO A 28 -12.181 -9.814 -7.594 1.00 0.00 C ATOM 490 CG PRO A 28 -10.775 -9.350 -7.760 1.00 0.00 C ATOM 491 CD PRO A 28 -10.803 -7.878 -7.461 1.00 0.00 C ATOM 0 HA PRO A 28 -13.431 -8.764 -9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.396 -10.063 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.374 -10.711 -8.183 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.105 -9.876 -7.080 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.416 -9.539 -8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.704 -7.675 -6.395 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.997 -7.343 -7.963 1.00 0.00 H new ATOM 499 N PHE A 29 -14.037 -8.347 -5.883 1.00 0.00 N ATOM 500 CA PHE A 29 -15.126 -8.187 -4.926 1.00 0.00 C ATOM 501 C PHE A 29 -16.266 -7.372 -5.531 1.00 0.00 C ATOM 502 O PHE A 29 -17.382 -7.866 -5.688 1.00 0.00 O ATOM 503 CB PHE A 29 -14.619 -7.508 -3.652 1.00 0.00 C ATOM 504 CG PHE A 29 -13.677 -8.362 -2.853 1.00 0.00 C ATOM 505 CD1 PHE A 29 -14.076 -9.601 -2.379 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.392 -7.925 -2.574 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.211 -10.389 -1.643 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.523 -8.708 -1.840 1.00 0.00 C ATOM 509 CZ PHE A 29 -11.933 -9.942 -1.372 1.00 0.00 C ATOM 0 H PHE A 29 -13.106 -8.348 -5.466 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.504 -9.178 -4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.116 -6.579 -3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.472 -7.240 -3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.075 -9.956 -2.587 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.066 -6.961 -2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.535 -11.353 -1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.523 -8.356 -1.632 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.256 -10.555 -0.796 1.00 0.00 H new ATOM 519 N GLY A 30 -15.975 -6.119 -5.869 1.00 0.00 N ATOM 520 CA GLY A 30 -16.985 -5.255 -6.452 1.00 0.00 C ATOM 521 C GLY A 30 -16.389 -4.198 -7.361 1.00 0.00 C ATOM 522 O GLY A 30 -15.463 -4.476 -8.123 1.00 0.00 O ATOM 0 H GLY A 30 -15.059 -5.687 -5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.693 -5.860 -7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.547 -4.769 -5.655 1.00 0.00 H new ATOM 526 N ASP A 31 -16.921 -2.983 -7.280 1.00 0.00 N ATOM 527 CA ASP A 31 -16.436 -1.881 -8.102 1.00 0.00 C ATOM 528 C ASP A 31 -15.892 -0.752 -7.231 1.00 0.00 C ATOM 529 O ASP A 31 -16.618 0.179 -6.880 1.00 0.00 O ATOM 530 CB ASP A 31 -17.557 -1.354 -9.000 1.00 0.00 C ATOM 531 CG ASP A 31 -17.061 -0.337 -10.009 1.00 0.00 C ATOM 532 OD1 ASP A 31 -15.957 -0.536 -10.558 1.00 0.00 O ATOM 533 OD2 ASP A 31 -17.776 0.658 -10.250 1.00 0.00 O ATOM 0 H ASP A 31 -17.688 -2.737 -6.654 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.626 -2.256 -8.728 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.019 -2.189 -9.527 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.331 -0.900 -8.381 1.00 0.00 H new ATOM 538 N ILE A 32 -14.612 -0.843 -6.886 1.00 0.00 N ATOM 539 CA ILE A 32 -13.972 0.171 -6.056 1.00 0.00 C ATOM 540 C ILE A 32 -14.224 1.571 -6.606 1.00 0.00 C ATOM 541 O ILE A 32 -13.763 1.915 -7.695 1.00 0.00 O ATOM 542 CB ILE A 32 -12.453 -0.063 -5.954 1.00 0.00 C ATOM 543 CG1 ILE A 32 -12.166 -1.469 -5.423 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.815 0.987 -5.057 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.702 -1.846 -5.472 1.00 0.00 C ATOM 0 H ILE A 32 -13.998 -1.607 -7.168 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.412 0.090 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.019 0.025 -6.950 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.516 -1.538 -4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.739 -2.192 -6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.742 0.809 -4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.994 1.978 -5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.251 0.927 -4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.573 -2.855 -5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.351 -1.809 -6.503 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.126 -1.146 -4.868 1.00 0.00 H new ATOM 557 N THR A 33 -14.957 2.377 -5.845 1.00 0.00 N ATOM 558 CA THR A 33 -15.269 3.740 -6.255 1.00 0.00 C ATOM 559 C THR A 33 -14.092 4.674 -6.001 1.00 0.00 C ATOM 560 O THR A 33 -13.878 5.634 -6.742 1.00 0.00 O ATOM 561 CB THR A 33 -16.507 4.280 -5.513 1.00 0.00 C ATOM 562 OG1 THR A 33 -16.280 4.257 -4.099 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.740 3.455 -5.847 1.00 0.00 C ATOM 0 H THR A 33 -15.346 2.109 -4.941 1.00 0.00 H new ATOM 0 HA THR A 33 -15.480 3.708 -7.324 1.00 0.00 H new ATOM 0 HB THR A 33 -16.678 5.307 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.888 5.110 -3.817 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.601 3.855 -5.312 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.927 3.499 -6.920 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.576 2.419 -5.549 1.00 0.00 H new ATOM 571 N ASP A 34 -13.330 4.387 -4.951 1.00 0.00 N ATOM 572 CA ASP A 34 -12.172 5.201 -4.601 1.00 0.00 C ATOM 573 C ASP A 34 -11.340 4.524 -3.516 1.00 0.00 C ATOM 574 O ASP A 34 -11.816 3.620 -2.829 1.00 0.00 O ATOM 575 CB ASP A 34 -12.619 6.586 -4.129 1.00 0.00 C ATOM 576 CG ASP A 34 -13.983 6.560 -3.469 1.00 0.00 C ATOM 577 OD1 ASP A 34 -14.415 5.469 -3.040 1.00 0.00 O ATOM 578 OD2 ASP A 34 -14.619 7.631 -3.381 1.00 0.00 O ATOM 0 H ASP A 34 -13.494 3.597 -4.327 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.554 5.312 -5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.886 6.981 -3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.643 7.266 -4.980 1.00 0.00 H new ATOM 583 N ILE A 35 -10.096 4.967 -3.369 1.00 0.00 N ATOM 584 CA ILE A 35 -9.198 4.404 -2.369 1.00 0.00 C ATOM 585 C ILE A 35 -8.348 5.490 -1.719 1.00 0.00 C ATOM 586 O ILE A 35 -7.970 6.466 -2.368 1.00 0.00 O ATOM 587 CB ILE A 35 -8.270 3.338 -2.981 1.00 0.00 C ATOM 588 CG1 ILE A 35 -9.094 2.194 -3.576 1.00 0.00 C ATOM 589 CG2 ILE A 35 -7.303 2.812 -1.931 1.00 0.00 C ATOM 590 CD1 ILE A 35 -8.300 1.293 -4.496 1.00 0.00 C ATOM 0 H ILE A 35 -9.687 5.714 -3.930 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.825 3.935 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.691 3.798 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.510 1.596 -2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.936 2.612 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.654 2.059 -2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.697 3.634 -1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.865 2.365 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.947 0.505 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.906 1.878 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.474 0.846 -3.943 1.00 0.00 H new ATOM 602 N GLN A 36 -8.049 5.313 -0.437 1.00 0.00 N ATOM 603 CA GLN A 36 -7.241 6.278 0.300 1.00 0.00 C ATOM 604 C GLN A 36 -5.983 5.622 0.858 1.00 0.00 C ATOM 605 O GLN A 36 -6.043 4.539 1.441 1.00 0.00 O ATOM 606 CB GLN A 36 -8.057 6.895 1.437 1.00 0.00 C ATOM 607 CG GLN A 36 -9.175 7.807 0.959 1.00 0.00 C ATOM 608 CD GLN A 36 -10.150 7.102 0.038 1.00 0.00 C ATOM 609 OE1 GLN A 36 -10.863 6.187 0.453 1.00 0.00 O ATOM 610 NE2 GLN A 36 -10.188 7.524 -1.220 1.00 0.00 N ATOM 0 H GLN A 36 -8.354 4.510 0.114 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.941 7.066 -0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.485 6.095 2.041 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.389 7.462 2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.714 8.197 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.744 8.662 0.439 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.580 8.285 -1.521 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.826 7.087 -1.885 1.00 0.00 H new ATOM 619 N ILE A 37 -4.846 6.284 0.676 1.00 0.00 N ATOM 620 CA ILE A 37 -3.573 5.764 1.162 1.00 0.00 C ATOM 621 C ILE A 37 -2.910 6.746 2.122 1.00 0.00 C ATOM 622 O ILE A 37 -2.554 7.866 1.756 1.00 0.00 O ATOM 623 CB ILE A 37 -2.606 5.466 0.001 1.00 0.00 C ATOM 624 CG1 ILE A 37 -3.191 4.388 -0.914 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.250 5.034 0.539 1.00 0.00 C ATOM 626 CD1 ILE A 37 -3.187 3.006 -0.298 1.00 0.00 C ATOM 0 H ILE A 37 -4.779 7.181 0.196 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.792 4.835 1.689 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.470 6.376 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.215 4.659 -1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.623 4.364 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.577 4.827 -0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.832 5.831 1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.368 4.134 1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.616 2.293 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.163 2.715 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.780 3.014 0.617 1.00 0.00 H new ATOM 638 N PRO A 38 -2.737 6.317 3.381 1.00 0.00 N ATOM 639 CA PRO A 38 -2.113 7.142 4.420 1.00 0.00 C ATOM 640 C PRO A 38 -0.621 7.345 4.180 1.00 0.00 C ATOM 641 O PRO A 38 0.152 6.386 4.166 1.00 0.00 O ATOM 642 CB PRO A 38 -2.344 6.336 5.700 1.00 0.00 C ATOM 643 CG PRO A 38 -2.482 4.926 5.240 1.00 0.00 C ATOM 644 CD PRO A 38 -3.137 4.994 3.888 1.00 0.00 C ATOM 0 HA PRO A 38 -2.535 8.146 4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.510 6.446 6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.240 6.671 6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.509 4.439 5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.086 4.345 5.937 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.793 4.192 3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.221 4.903 3.961 1.00 0.00 H new ATOM 652 N LEU A 39 -0.221 8.598 3.993 1.00 0.00 N ATOM 653 CA LEU A 39 1.180 8.927 3.754 1.00 0.00 C ATOM 654 C LEU A 39 1.658 10.007 4.719 1.00 0.00 C ATOM 655 O LEU A 39 0.871 10.558 5.489 1.00 0.00 O ATOM 656 CB LEU A 39 1.376 9.394 2.310 1.00 0.00 C ATOM 657 CG LEU A 39 1.059 8.366 1.224 1.00 0.00 C ATOM 658 CD1 LEU A 39 1.324 8.949 -0.156 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.875 7.098 1.434 1.00 0.00 C ATOM 0 H LEU A 39 -0.847 9.403 4.002 1.00 0.00 H new ATOM 0 HA LEU A 39 1.772 8.028 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.751 10.272 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.411 9.713 2.190 1.00 0.00 H new ATOM 0 HG LEU A 39 0.002 8.109 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.093 8.203 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.696 9.827 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.373 9.235 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.636 6.378 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.937 7.338 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.637 6.669 2.407 1.00 0.00 H new ATOM 671 N ASP A 40 2.952 10.305 4.671 1.00 0.00 N ATOM 672 CA ASP A 40 3.534 11.322 5.539 1.00 0.00 C ATOM 673 C ASP A 40 3.666 12.653 4.805 1.00 0.00 C ATOM 674 O ASP A 40 3.274 12.774 3.644 1.00 0.00 O ATOM 675 CB ASP A 40 4.904 10.867 6.045 1.00 0.00 C ATOM 676 CG ASP A 40 4.806 10.013 7.293 1.00 0.00 C ATOM 677 OD1 ASP A 40 4.481 10.564 8.366 1.00 0.00 O ATOM 678 OD2 ASP A 40 5.052 8.793 7.198 1.00 0.00 O ATOM 0 H ASP A 40 3.617 9.857 4.041 1.00 0.00 H new ATOM 0 HA ASP A 40 2.868 11.462 6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.409 10.303 5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.520 11.742 6.254 1.00 0.00 H new ATOM 683 N TYR A 41 4.218 13.648 5.489 1.00 0.00 N ATOM 684 CA TYR A 41 4.398 14.971 4.903 1.00 0.00 C ATOM 685 C TYR A 41 5.867 15.231 4.585 1.00 0.00 C ATOM 686 O TYR A 41 6.206 16.213 3.925 1.00 0.00 O ATOM 687 CB TYR A 41 3.872 16.048 5.854 1.00 0.00 C ATOM 688 CG TYR A 41 4.911 16.556 6.828 1.00 0.00 C ATOM 689 CD1 TYR A 41 5.812 17.548 6.459 1.00 0.00 C ATOM 690 CD2 TYR A 41 4.991 16.046 8.117 1.00 0.00 C ATOM 691 CE1 TYR A 41 6.763 18.014 7.345 1.00 0.00 C ATOM 692 CE2 TYR A 41 5.938 16.507 9.011 1.00 0.00 C ATOM 693 CZ TYR A 41 6.822 17.491 8.620 1.00 0.00 C ATOM 694 OH TYR A 41 7.767 17.954 9.506 1.00 0.00 O ATOM 0 H TYR A 41 4.549 13.564 6.450 1.00 0.00 H new ATOM 0 HA TYR A 41 3.832 15.009 3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.495 16.886 5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.028 15.646 6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.767 17.961 5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.301 15.275 8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.457 18.784 7.041 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.986 16.099 10.010 1.00 0.00 H new ATOM 0 HH TYR A 41 7.673 17.483 10.360 1.00 0.00 H new ATOM 704 N GLU A 42 6.735 14.343 5.060 1.00 0.00 N ATOM 705 CA GLU A 42 8.168 14.476 4.826 1.00 0.00 C ATOM 706 C GLU A 42 8.660 13.415 3.846 1.00 0.00 C ATOM 707 O GLU A 42 9.592 13.649 3.076 1.00 0.00 O ATOM 708 CB GLU A 42 8.935 14.362 6.145 1.00 0.00 C ATOM 709 CG GLU A 42 8.630 13.090 6.919 1.00 0.00 C ATOM 710 CD GLU A 42 9.594 12.861 8.067 1.00 0.00 C ATOM 711 OE1 GLU A 42 10.788 13.196 7.914 1.00 0.00 O ATOM 712 OE2 GLU A 42 9.156 12.347 9.117 1.00 0.00 O ATOM 0 H GLU A 42 6.471 13.525 5.609 1.00 0.00 H new ATOM 0 HA GLU A 42 8.350 15.459 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.004 14.404 5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.697 15.223 6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.613 13.141 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.670 12.238 6.241 1.00 0.00 H new ATOM 719 N THR A 43 8.028 12.246 3.882 1.00 0.00 N ATOM 720 CA THR A 43 8.401 11.148 2.999 1.00 0.00 C ATOM 721 C THR A 43 7.220 10.704 2.144 1.00 0.00 C ATOM 722 O THR A 43 7.398 10.051 1.116 1.00 0.00 O ATOM 723 CB THR A 43 8.925 9.939 3.797 1.00 0.00 C ATOM 724 OG1 THR A 43 7.928 9.494 4.724 1.00 0.00 O ATOM 725 CG2 THR A 43 10.199 10.297 4.548 1.00 0.00 C ATOM 0 H THR A 43 7.255 12.035 4.513 1.00 0.00 H new ATOM 0 HA THR A 43 9.195 11.519 2.352 1.00 0.00 H new ATOM 0 HB THR A 43 9.150 9.137 3.093 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.136 9.837 5.618 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.550 9.428 5.104 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.965 10.607 3.837 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.996 11.113 5.241 1.00 0.00 H new ATOM 733 N GLU A 44 6.015 11.063 2.574 1.00 0.00 N ATOM 734 CA GLU A 44 4.805 10.701 1.846 1.00 0.00 C ATOM 735 C GLU A 44 4.743 9.195 1.608 1.00 0.00 C ATOM 736 O GLU A 44 4.231 8.736 0.587 1.00 0.00 O ATOM 737 CB GLU A 44 4.747 11.442 0.509 1.00 0.00 C ATOM 738 CG GLU A 44 4.116 12.821 0.604 1.00 0.00 C ATOM 739 CD GLU A 44 2.609 12.786 0.441 1.00 0.00 C ATOM 740 OE1 GLU A 44 1.975 11.861 0.992 1.00 0.00 O ATOM 741 OE2 GLU A 44 2.064 13.681 -0.237 1.00 0.00 O ATOM 0 H GLU A 44 5.851 11.604 3.423 1.00 0.00 H new ATOM 0 HA GLU A 44 3.947 10.991 2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.758 11.541 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.183 10.842 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.363 13.264 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.546 13.466 -0.162 1.00 0.00 H new ATOM 748 N LYS A 45 5.270 8.430 2.559 1.00 0.00 N ATOM 749 CA LYS A 45 5.275 6.975 2.455 1.00 0.00 C ATOM 750 C LYS A 45 4.289 6.356 3.441 1.00 0.00 C ATOM 751 O LYS A 45 3.958 6.957 4.463 1.00 0.00 O ATOM 752 CB LYS A 45 6.681 6.431 2.715 1.00 0.00 C ATOM 753 CG LYS A 45 7.087 6.467 4.178 1.00 0.00 C ATOM 754 CD LYS A 45 8.554 6.112 4.359 1.00 0.00 C ATOM 755 CE LYS A 45 9.087 6.611 5.694 1.00 0.00 C ATOM 756 NZ LYS A 45 8.611 5.773 6.829 1.00 0.00 N ATOM 0 H LYS A 45 5.699 8.793 3.410 1.00 0.00 H new ATOM 0 HA LYS A 45 4.968 6.706 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.736 5.403 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.399 7.010 2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.900 7.461 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.470 5.770 4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.678 5.031 4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.138 6.547 3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.177 6.609 5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.773 7.643 5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.996 6.145 7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.572 5.795 6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.933 4.793 6.696 1.00 0.00 H new ATOM 770 N HIS A 46 3.823 5.151 3.127 1.00 0.00 N ATOM 771 CA HIS A 46 2.876 4.450 3.986 1.00 0.00 C ATOM 772 C HIS A 46 3.580 3.374 4.806 1.00 0.00 C ATOM 773 O HIS A 46 4.521 2.735 4.333 1.00 0.00 O ATOM 774 CB HIS A 46 1.763 3.822 3.147 1.00 0.00 C ATOM 775 CG HIS A 46 2.090 2.447 2.651 1.00 0.00 C ATOM 776 ND1 HIS A 46 2.380 1.393 3.491 1.00 0.00 N ATOM 777 CD2 HIS A 46 2.170 1.957 1.392 1.00 0.00 C ATOM 778 CE1 HIS A 46 2.626 0.314 2.770 1.00 0.00 C ATOM 779 NE2 HIS A 46 2.505 0.629 1.493 1.00 0.00 N ATOM 0 H HIS A 46 4.086 4.640 2.284 1.00 0.00 H new ATOM 0 HA HIS A 46 2.439 5.176 4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.851 3.777 3.743 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.555 4.467 2.294 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.002 2.508 0.478 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.883 -0.660 3.159 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.639 -0.010 0.709 1.00 0.00 H new ATOM 787 N ARG A 47 3.120 3.179 6.037 1.00 0.00 N ATOM 788 CA ARG A 47 3.707 2.181 6.924 1.00 0.00 C ATOM 789 C ARG A 47 3.284 0.773 6.514 1.00 0.00 C ATOM 790 O ARG A 47 4.116 -0.124 6.390 1.00 0.00 O ATOM 791 CB ARG A 47 3.293 2.448 8.372 1.00 0.00 C ATOM 792 CG ARG A 47 4.020 3.622 9.006 1.00 0.00 C ATOM 793 CD ARG A 47 3.561 4.946 8.416 1.00 0.00 C ATOM 794 NE ARG A 47 3.848 6.070 9.303 1.00 0.00 N ATOM 795 CZ ARG A 47 3.180 6.310 10.425 1.00 0.00 C ATOM 796 NH1 ARG A 47 2.191 5.508 10.796 1.00 0.00 N ATOM 797 NH2 ARG A 47 3.500 7.353 11.180 1.00 0.00 N ATOM 0 H ARG A 47 2.342 3.699 6.443 1.00 0.00 H new ATOM 0 HA ARG A 47 4.792 2.254 6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.220 2.635 8.406 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.479 1.553 8.965 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.845 3.622 10.082 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.094 3.509 8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.054 5.106 7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.490 4.903 8.220 1.00 0.00 H new ATOM 0 HE ARG A 47 4.603 6.706 9.046 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.942 4.705 10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.679 5.695 11.658 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.260 7.972 10.899 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.986 7.536 12.042 1.00 0.00 H new ATOM 811 N GLY A 48 1.984 0.588 6.305 1.00 0.00 N ATOM 812 CA GLY A 48 1.473 -0.712 5.912 1.00 0.00 C ATOM 813 C GLY A 48 -0.017 -0.847 6.154 1.00 0.00 C ATOM 814 O GLY A 48 -0.464 -1.787 6.812 1.00 0.00 O ATOM 0 H GLY A 48 1.276 1.316 6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.683 -0.877 4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.000 -1.489 6.466 1.00 0.00 H new ATOM 818 N PHE A 49 -0.789 0.096 5.623 1.00 0.00 N ATOM 819 CA PHE A 49 -2.238 0.079 5.787 1.00 0.00 C ATOM 820 C PHE A 49 -2.894 1.160 4.933 1.00 0.00 C ATOM 821 O PHE A 49 -2.250 2.134 4.544 1.00 0.00 O ATOM 822 CB PHE A 49 -2.608 0.281 7.258 1.00 0.00 C ATOM 823 CG PHE A 49 -2.089 1.567 7.836 1.00 0.00 C ATOM 824 CD1 PHE A 49 -2.749 2.763 7.603 1.00 0.00 C ATOM 825 CD2 PHE A 49 -0.941 1.579 8.611 1.00 0.00 C ATOM 826 CE1 PHE A 49 -2.275 3.947 8.134 1.00 0.00 C ATOM 827 CE2 PHE A 49 -0.462 2.761 9.145 1.00 0.00 C ATOM 828 CZ PHE A 49 -1.129 3.946 8.905 1.00 0.00 C ATOM 0 H PHE A 49 -0.435 0.881 5.076 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.605 -0.893 5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.693 0.259 7.358 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.218 -0.553 7.840 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.644 2.770 6.999 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.414 0.655 8.800 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.800 4.872 7.947 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.433 2.757 9.749 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.755 4.871 9.319 1.00 0.00 H new ATOM 838 N ALA A 50 -4.178 0.980 4.645 1.00 0.00 N ATOM 839 CA ALA A 50 -4.923 1.939 3.838 1.00 0.00 C ATOM 840 C ALA A 50 -6.425 1.712 3.963 1.00 0.00 C ATOM 841 O ALA A 50 -6.872 0.835 4.702 1.00 0.00 O ATOM 842 CB ALA A 50 -4.492 1.850 2.382 1.00 0.00 C ATOM 0 H ALA A 50 -4.725 0.178 4.959 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.702 2.939 4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.056 2.571 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.427 2.070 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.683 0.845 2.007 1.00 0.00 H new ATOM 848 N PHE A 51 -7.202 2.508 3.236 1.00 0.00 N ATOM 849 CA PHE A 51 -8.655 2.395 3.266 1.00 0.00 C ATOM 850 C PHE A 51 -9.220 2.256 1.855 1.00 0.00 C ATOM 851 O PHE A 51 -8.891 3.038 0.963 1.00 0.00 O ATOM 852 CB PHE A 51 -9.269 3.616 3.955 1.00 0.00 C ATOM 853 CG PHE A 51 -8.537 4.034 5.198 1.00 0.00 C ATOM 854 CD1 PHE A 51 -8.777 3.399 6.406 1.00 0.00 C ATOM 855 CD2 PHE A 51 -7.608 5.061 5.158 1.00 0.00 C ATOM 856 CE1 PHE A 51 -8.105 3.782 7.551 1.00 0.00 C ATOM 857 CE2 PHE A 51 -6.933 5.449 6.300 1.00 0.00 C ATOM 858 CZ PHE A 51 -7.181 4.808 7.498 1.00 0.00 C ATOM 0 H PHE A 51 -6.849 3.239 2.618 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.912 1.499 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.283 4.450 3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.306 3.396 4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.497 2.596 6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.409 5.564 4.223 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.302 3.280 8.487 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.213 6.252 6.256 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.654 5.108 8.392 1.00 0.00 H new ATOM 868 N VAL A 52 -10.071 1.254 1.661 1.00 0.00 N ATOM 869 CA VAL A 52 -10.682 1.011 0.360 1.00 0.00 C ATOM 870 C VAL A 52 -12.199 1.146 0.432 1.00 0.00 C ATOM 871 O VAL A 52 -12.835 0.633 1.352 1.00 0.00 O ATOM 872 CB VAL A 52 -10.327 -0.390 -0.174 1.00 0.00 C ATOM 873 CG1 VAL A 52 -10.768 -0.536 -1.623 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.836 -0.651 -0.033 1.00 0.00 C ATOM 0 H VAL A 52 -10.353 0.597 2.389 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.285 1.763 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.860 -1.133 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.509 -1.532 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.847 -0.394 -1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.264 0.213 -2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.603 -1.645 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.281 0.095 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.554 -0.591 1.018 1.00 0.00 H new ATOM 884 N GLU A 53 -12.773 1.840 -0.546 1.00 0.00 N ATOM 885 CA GLU A 53 -14.216 2.043 -0.594 1.00 0.00 C ATOM 886 C GLU A 53 -14.882 1.007 -1.495 1.00 0.00 C ATOM 887 O GLU A 53 -14.283 0.530 -2.459 1.00 0.00 O ATOM 888 CB GLU A 53 -14.539 3.453 -1.093 1.00 0.00 C ATOM 889 CG GLU A 53 -14.666 4.479 0.020 1.00 0.00 C ATOM 890 CD GLU A 53 -14.275 5.874 -0.425 1.00 0.00 C ATOM 891 OE1 GLU A 53 -13.060 6.140 -0.543 1.00 0.00 O ATOM 892 OE2 GLU A 53 -15.182 6.701 -0.655 1.00 0.00 O ATOM 0 H GLU A 53 -12.261 2.271 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.607 1.925 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.758 3.773 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.471 3.425 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.694 4.492 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.037 4.180 0.858 1.00 0.00 H new ATOM 899 N PHE A 54 -16.124 0.663 -1.173 1.00 0.00 N ATOM 900 CA PHE A 54 -16.872 -0.317 -1.952 1.00 0.00 C ATOM 901 C PHE A 54 -18.171 0.284 -2.481 1.00 0.00 C ATOM 902 O PHE A 54 -18.858 1.021 -1.774 1.00 0.00 O ATOM 903 CB PHE A 54 -17.178 -1.551 -1.100 1.00 0.00 C ATOM 904 CG PHE A 54 -16.021 -2.502 -0.985 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.789 -2.063 -0.529 1.00 0.00 C ATOM 906 CD2 PHE A 54 -16.167 -3.835 -1.334 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.722 -2.936 -0.422 1.00 0.00 C ATOM 908 CE2 PHE A 54 -15.104 -4.713 -1.229 1.00 0.00 C ATOM 909 CZ PHE A 54 -13.880 -4.263 -0.774 1.00 0.00 C ATOM 0 H PHE A 54 -16.634 1.048 -0.378 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.257 -0.613 -2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.474 -1.229 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.030 -2.078 -1.530 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.660 -1.027 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.121 -4.192 -1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.767 -2.581 -0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.231 -5.750 -1.503 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.048 -4.947 -0.693 1.00 0.00 H new ATOM 919 N GLU A 55 -18.499 -0.035 -3.729 1.00 0.00 N ATOM 920 CA GLU A 55 -19.714 0.475 -4.353 1.00 0.00 C ATOM 921 C GLU A 55 -20.939 0.153 -3.501 1.00 0.00 C ATOM 922 O GLU A 55 -21.909 0.913 -3.476 1.00 0.00 O ATOM 923 CB GLU A 55 -19.883 -0.119 -5.753 1.00 0.00 C ATOM 924 CG GLU A 55 -20.966 0.559 -6.575 1.00 0.00 C ATOM 925 CD GLU A 55 -20.953 0.125 -8.028 1.00 0.00 C ATOM 926 OE1 GLU A 55 -21.391 -1.008 -8.313 1.00 0.00 O ATOM 927 OE2 GLU A 55 -20.504 0.921 -8.880 1.00 0.00 O ATOM 0 H GLU A 55 -17.941 -0.644 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.623 1.558 -4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.935 -0.047 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -20.118 -1.180 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -21.940 0.334 -6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.835 1.640 -6.521 1.00 0.00 H new ATOM 934 N LEU A 56 -20.888 -0.977 -2.805 1.00 0.00 N ATOM 935 CA LEU A 56 -21.993 -1.400 -1.952 1.00 0.00 C ATOM 936 C LEU A 56 -21.480 -1.920 -0.613 1.00 0.00 C ATOM 937 O LEU A 56 -20.294 -2.213 -0.463 1.00 0.00 O ATOM 938 CB LEU A 56 -22.817 -2.484 -2.650 1.00 0.00 C ATOM 939 CG LEU A 56 -23.356 -2.128 -4.036 1.00 0.00 C ATOM 940 CD1 LEU A 56 -23.989 -3.346 -4.692 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.361 -0.989 -3.941 1.00 0.00 C ATOM 0 H LEU A 56 -20.094 -1.617 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.627 -0.533 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.201 -3.379 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.660 -2.741 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.522 -1.799 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.367 -3.073 -5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.242 -4.133 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.812 -3.705 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.734 -0.749 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.193 -1.290 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.877 -0.111 -3.514 1.00 0.00 H new ATOM 953 N ALA A 57 -22.381 -2.034 0.357 1.00 0.00 N ATOM 954 CA ALA A 57 -22.020 -2.522 1.682 1.00 0.00 C ATOM 955 C ALA A 57 -21.765 -4.026 1.662 1.00 0.00 C ATOM 956 O ALA A 57 -20.717 -4.492 2.106 1.00 0.00 O ATOM 957 CB ALA A 57 -23.112 -2.183 2.686 1.00 0.00 C ATOM 0 H ALA A 57 -23.367 -1.795 0.250 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.097 -2.027 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.828 -2.554 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -23.244 -1.102 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -24.047 -2.650 2.378 1.00 0.00 H new ATOM 963 N GLU A 58 -22.732 -4.778 1.145 1.00 0.00 N ATOM 964 CA GLU A 58 -22.612 -6.229 1.070 1.00 0.00 C ATOM 965 C GLU A 58 -21.225 -6.635 0.578 1.00 0.00 C ATOM 966 O GLU A 58 -20.469 -7.293 1.293 1.00 0.00 O ATOM 967 CB GLU A 58 -23.683 -6.805 0.142 1.00 0.00 C ATOM 968 CG GLU A 58 -25.102 -6.465 0.566 1.00 0.00 C ATOM 969 CD GLU A 58 -25.520 -7.183 1.834 1.00 0.00 C ATOM 970 OE1 GLU A 58 -25.169 -6.701 2.931 1.00 0.00 O ATOM 971 OE2 GLU A 58 -26.196 -8.228 1.730 1.00 0.00 O ATOM 0 H GLU A 58 -23.606 -4.407 0.772 1.00 0.00 H new ATOM 0 HA GLU A 58 -22.756 -6.632 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -23.515 -6.432 -0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -23.574 -7.889 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -25.184 -5.389 0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -25.790 -6.726 -0.238 1.00 0.00 H new ATOM 978 N ASP A 59 -20.900 -6.240 -0.647 1.00 0.00 N ATOM 979 CA ASP A 59 -19.605 -6.562 -1.236 1.00 0.00 C ATOM 980 C ASP A 59 -18.479 -6.323 -0.235 1.00 0.00 C ATOM 981 O ASP A 59 -17.599 -7.166 -0.063 1.00 0.00 O ATOM 982 CB ASP A 59 -19.371 -5.725 -2.495 1.00 0.00 C ATOM 983 CG ASP A 59 -20.520 -5.827 -3.479 1.00 0.00 C ATOM 984 OD1 ASP A 59 -21.125 -6.915 -3.575 1.00 0.00 O ATOM 985 OD2 ASP A 59 -20.814 -4.818 -4.153 1.00 0.00 O ATOM 0 H ASP A 59 -21.515 -5.696 -1.252 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.609 -7.618 -1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.229 -4.682 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.451 -6.052 -2.980 1.00 0.00 H new ATOM 990 N ALA A 60 -18.512 -5.168 0.422 1.00 0.00 N ATOM 991 CA ALA A 60 -17.495 -4.819 1.406 1.00 0.00 C ATOM 992 C ALA A 60 -17.374 -5.898 2.476 1.00 0.00 C ATOM 993 O ALA A 60 -16.285 -6.409 2.735 1.00 0.00 O ATOM 994 CB ALA A 60 -17.816 -3.475 2.043 1.00 0.00 C ATOM 0 H ALA A 60 -19.232 -4.458 0.290 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.537 -4.745 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.048 -3.227 2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.844 -2.705 1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.786 -3.529 2.538 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.499 -6.240 3.096 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.518 -7.260 4.137 1.00 0.00 C ATOM 1002 C ALA A 61 -17.817 -8.532 3.673 1.00 0.00 C ATOM 1003 O ALA A 61 -17.000 -9.101 4.397 1.00 0.00 O ATOM 1004 CB ALA A 61 -19.951 -7.565 4.550 1.00 0.00 C ATOM 0 H ALA A 61 -19.409 -5.825 2.895 1.00 0.00 H new ATOM 0 HA ALA A 61 -17.977 -6.873 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -19.951 -8.328 5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.421 -6.658 4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.509 -7.927 3.687 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.141 -8.973 2.462 1.00 0.00 N ATOM 1011 CA ALA A 62 -17.541 -10.177 1.902 1.00 0.00 C ATOM 1012 C ALA A 62 -16.026 -10.035 1.790 1.00 0.00 C ATOM 1013 O ALA A 62 -15.280 -10.947 2.144 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.146 -10.484 0.540 1.00 0.00 C ATOM 0 H ALA A 62 -18.816 -8.514 1.850 1.00 0.00 H new ATOM 0 HA ALA A 62 -17.753 -11.006 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.688 -11.386 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.220 -10.638 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -17.964 -9.648 -0.136 1.00 0.00 H new ATOM 1020 N ALA A 63 -15.580 -8.885 1.296 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.154 -8.623 1.139 1.00 0.00 C ATOM 1022 C ALA A 63 -13.416 -8.791 2.463 1.00 0.00 C ATOM 1023 O ALA A 63 -12.318 -9.346 2.506 1.00 0.00 O ATOM 1024 CB ALA A 63 -13.933 -7.224 0.583 1.00 0.00 C ATOM 0 H ALA A 63 -16.185 -8.120 0.998 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.751 -9.350 0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.864 -7.042 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.420 -7.137 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.356 -6.489 1.268 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.026 -8.308 3.540 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.426 -8.405 4.865 1.00 0.00 C ATOM 1032 C ILE A 64 -13.365 -9.855 5.336 1.00 0.00 C ATOM 1033 O ILE A 64 -12.293 -10.371 5.651 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.208 -7.574 5.900 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.263 -6.106 5.471 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.572 -7.706 7.275 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.197 -5.265 6.312 1.00 0.00 C ATOM 0 H ILE A 64 -14.935 -7.846 3.521 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.414 -8.009 4.783 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.228 -7.956 5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.260 -5.683 5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.578 -6.052 4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.136 -7.113 7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.580 -8.752 7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.543 -7.347 7.236 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.185 -4.237 5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.209 -5.663 6.240 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.871 -5.288 7.352 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.522 -10.506 5.379 1.00 0.00 N ATOM 1050 CA ASP A 65 -14.601 -11.897 5.808 1.00 0.00 C ATOM 1051 C ASP A 65 -13.574 -12.752 5.072 1.00 0.00 C ATOM 1052 O ASP A 65 -13.131 -13.782 5.579 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.007 -12.449 5.568 1.00 0.00 C ATOM 1054 CG ASP A 65 -16.303 -13.670 6.416 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -15.680 -13.813 7.490 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -17.158 -14.483 6.007 1.00 0.00 O ATOM 0 H ASP A 65 -15.418 -10.092 5.122 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.382 -11.935 6.875 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.741 -11.673 5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.118 -12.706 4.515 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.200 -12.317 3.873 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.226 -13.043 3.066 1.00 0.00 C ATOM 1063 C ASN A 66 -10.824 -12.477 3.266 1.00 0.00 C ATOM 1064 O ASN A 66 -9.980 -13.096 3.914 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.608 -12.977 1.586 1.00 0.00 C ATOM 1066 CG ASN A 66 -13.767 -13.895 1.246 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -13.594 -14.904 0.563 1.00 0.00 O ATOM 1068 ND2 ASN A 66 -14.956 -13.547 1.724 1.00 0.00 N ATOM 0 H ASN A 66 -13.557 -11.466 3.439 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.228 -14.084 3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.872 -11.952 1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.744 -13.247 0.978 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -15.773 -14.125 1.529 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.052 -12.701 2.286 1.00 0.00 H new ATOM 1075 N MET A 67 -10.582 -11.297 2.706 1.00 0.00 N ATOM 1076 CA MET A 67 -9.283 -10.646 2.825 1.00 0.00 C ATOM 1077 C MET A 67 -8.765 -10.724 4.257 1.00 0.00 C ATOM 1078 O MET A 67 -7.557 -10.758 4.489 1.00 0.00 O ATOM 1079 CB MET A 67 -9.378 -9.185 2.383 1.00 0.00 C ATOM 1080 CG MET A 67 -9.799 -9.014 0.932 1.00 0.00 C ATOM 1081 SD MET A 67 -8.712 -9.883 -0.214 1.00 0.00 S ATOM 1082 CE MET A 67 -7.108 -9.310 0.341 1.00 0.00 C ATOM 0 H MET A 67 -11.269 -10.772 2.165 1.00 0.00 H new ATOM 0 HA MET A 67 -8.582 -11.169 2.175 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.092 -8.666 3.023 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.410 -8.706 2.531 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.818 -9.380 0.808 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.809 -7.953 0.683 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.582 -8.839 -0.490 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.239 -8.586 1.145 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.526 -10.156 0.706 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.687 -10.750 5.214 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.322 -10.823 6.625 1.00 0.00 C ATOM 1094 C ASN A 68 -8.323 -11.949 6.871 1.00 0.00 C ATOM 1095 O ASN A 68 -8.631 -13.122 6.660 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.569 -11.035 7.485 1.00 0.00 C ATOM 1097 CG ASN A 68 -10.232 -11.503 8.887 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -10.527 -12.638 9.263 1.00 0.00 O ATOM 1099 ND2 ASN A 68 -9.610 -10.628 9.669 1.00 0.00 N ATOM 0 H ASN A 68 -10.691 -10.722 5.039 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.853 -9.879 6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.131 -10.103 7.541 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.217 -11.769 7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.357 -10.886 10.623 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.385 -9.698 9.316 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.126 -11.584 7.320 1.00 0.00 N ATOM 1107 CA GLU A 69 -6.082 -12.564 7.595 1.00 0.00 C ATOM 1108 C GLU A 69 -5.781 -13.401 6.355 1.00 0.00 C ATOM 1109 O GLU A 69 -5.547 -14.606 6.448 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.499 -13.476 8.750 1.00 0.00 C ATOM 1111 CG GLU A 69 -6.625 -12.753 10.081 1.00 0.00 C ATOM 1112 CD GLU A 69 -7.274 -13.610 11.151 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -8.386 -14.123 10.908 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -6.668 -13.767 12.232 1.00 0.00 O ATOM 0 H GLU A 69 -6.855 -10.617 7.501 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.178 -12.024 7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.454 -13.942 8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.769 -14.279 8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.635 -12.445 10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.212 -11.845 9.943 1.00 0.00 H new ATOM 1121 N SER A 70 -5.791 -12.753 5.194 1.00 0.00 N ATOM 1122 CA SER A 70 -5.524 -13.437 3.934 1.00 0.00 C ATOM 1123 C SER A 70 -4.035 -13.403 3.602 1.00 0.00 C ATOM 1124 O SER A 70 -3.227 -12.897 4.380 1.00 0.00 O ATOM 1125 CB SER A 70 -6.326 -12.795 2.801 1.00 0.00 C ATOM 1126 OG SER A 70 -5.986 -11.428 2.646 1.00 0.00 O ATOM 0 H SER A 70 -5.981 -11.755 5.100 1.00 0.00 H new ATOM 0 HA SER A 70 -5.830 -14.477 4.042 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.136 -13.328 1.869 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.392 -12.886 3.009 1.00 0.00 H new ATOM 0 HG SER A 70 -6.549 -10.882 3.234 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.681 -13.945 2.441 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.290 -13.977 2.006 1.00 0.00 C ATOM 1134 C GLU A 71 -2.071 -13.051 0.813 1.00 0.00 C ATOM 1135 O GLU A 71 -2.437 -13.378 -0.317 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.880 -15.405 1.639 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.386 -15.571 1.418 1.00 0.00 C ATOM 1138 CD GLU A 71 0.023 -17.023 1.265 1.00 0.00 C ATOM 1139 OE1 GLU A 71 -0.418 -17.853 2.088 1.00 0.00 O ATOM 1140 OE2 GLU A 71 0.784 -17.330 0.323 1.00 0.00 O ATOM 0 H GLU A 71 -4.338 -14.368 1.785 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.670 -13.629 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.199 -16.081 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.408 -15.705 0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.091 -15.018 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.153 -15.132 2.258 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.473 -11.894 1.072 1.00 0.00 N ATOM 1148 CA LEU A 72 -1.206 -10.918 0.020 1.00 0.00 C ATOM 1149 C LEU A 72 0.286 -10.612 -0.071 1.00 0.00 C ATOM 1150 O LEU A 72 0.915 -10.238 0.918 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.988 -9.630 0.281 1.00 0.00 C ATOM 1152 CG LEU A 72 -2.055 -8.639 -0.881 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -2.924 -9.188 -2.002 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -2.583 -7.293 -0.405 1.00 0.00 C ATOM 0 H LEU A 72 -1.164 -11.608 2.001 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.530 -11.345 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.006 -9.898 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.542 -9.125 1.138 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.046 -8.495 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.960 -8.469 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.503 -10.127 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.933 -9.363 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.624 -6.600 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.583 -7.420 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.921 -6.893 0.363 1.00 0.00 H new ATOM 1166 N PHE A 73 0.845 -10.770 -1.267 1.00 0.00 N ATOM 1167 CA PHE A 73 2.262 -10.509 -1.488 1.00 0.00 C ATOM 1168 C PHE A 73 3.126 -11.469 -0.675 1.00 0.00 C ATOM 1169 O PHE A 73 4.212 -11.112 -0.220 1.00 0.00 O ATOM 1170 CB PHE A 73 2.600 -9.063 -1.118 1.00 0.00 C ATOM 1171 CG PHE A 73 2.436 -8.099 -2.258 1.00 0.00 C ATOM 1172 CD1 PHE A 73 1.242 -8.028 -2.956 1.00 0.00 C ATOM 1173 CD2 PHE A 73 3.477 -7.265 -2.632 1.00 0.00 C ATOM 1174 CE1 PHE A 73 1.087 -7.141 -4.005 1.00 0.00 C ATOM 1175 CE2 PHE A 73 3.329 -6.376 -3.680 1.00 0.00 C ATOM 1176 CZ PHE A 73 2.133 -6.315 -4.368 1.00 0.00 C ATOM 0 H PHE A 73 0.338 -11.077 -2.097 1.00 0.00 H new ATOM 0 HA PHE A 73 2.473 -10.665 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.962 -8.749 -0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.629 -9.019 -0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.422 -8.673 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.415 -7.310 -2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.150 -7.094 -4.540 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.148 -5.730 -3.961 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.016 -5.623 -5.189 1.00 0.00 H new ATOM 1186 N GLY A 74 2.633 -12.691 -0.495 1.00 0.00 N ATOM 1187 CA GLY A 74 3.371 -13.684 0.263 1.00 0.00 C ATOM 1188 C GLY A 74 3.396 -13.379 1.748 1.00 0.00 C ATOM 1189 O GLY A 74 4.221 -13.917 2.486 1.00 0.00 O ATOM 0 H GLY A 74 1.736 -13.010 -0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.923 -14.665 0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.393 -13.736 -0.111 1.00 0.00 H new ATOM 1193 N ARG A 75 2.489 -12.512 2.187 1.00 0.00 N ATOM 1194 CA ARG A 75 2.412 -12.134 3.593 1.00 0.00 C ATOM 1195 C ARG A 75 0.960 -12.071 4.060 1.00 0.00 C ATOM 1196 O ARG A 75 0.035 -12.058 3.248 1.00 0.00 O ATOM 1197 CB ARG A 75 3.091 -10.782 3.818 1.00 0.00 C ATOM 1198 CG ARG A 75 2.439 -9.639 3.057 1.00 0.00 C ATOM 1199 CD ARG A 75 2.778 -8.292 3.676 1.00 0.00 C ATOM 1200 NE ARG A 75 4.086 -8.302 4.325 1.00 0.00 N ATOM 1201 CZ ARG A 75 5.236 -8.255 3.661 1.00 0.00 C ATOM 1202 NH1 ARG A 75 5.238 -8.195 2.336 1.00 0.00 N ATOM 1203 NH2 ARG A 75 6.386 -8.268 4.322 1.00 0.00 N ATOM 0 H ARG A 75 1.798 -12.059 1.590 1.00 0.00 H new ATOM 0 HA ARG A 75 2.931 -12.894 4.177 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.079 -10.552 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.137 -10.856 3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.769 -9.657 2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.358 -9.775 3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.763 -7.524 2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.013 -8.025 4.406 1.00 0.00 H new ATOM 0 HE ARG A 75 4.119 -8.348 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.356 -8.185 1.825 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.122 -8.159 1.828 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.388 -8.314 5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.268 -8.232 3.811 1.00 0.00 H new ATOM 1217 N THR A 76 0.768 -12.031 5.375 1.00 0.00 N ATOM 1218 CA THR A 76 -0.570 -11.970 5.950 1.00 0.00 C ATOM 1219 C THR A 76 -0.977 -10.531 6.244 1.00 0.00 C ATOM 1220 O THR A 76 -0.171 -9.734 6.725 1.00 0.00 O ATOM 1221 CB THR A 76 -0.661 -12.793 7.249 1.00 0.00 C ATOM 1222 OG1 THR A 76 -0.248 -14.142 7.004 1.00 0.00 O ATOM 1223 CG2 THR A 76 -2.079 -12.783 7.798 1.00 0.00 C ATOM 0 H THR A 76 1.522 -12.040 6.062 1.00 0.00 H new ATOM 0 HA THR A 76 -1.251 -12.393 5.212 1.00 0.00 H new ATOM 0 HB THR A 76 0.000 -12.339 7.987 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.307 -14.658 7.835 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.118 -13.371 8.715 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.379 -11.757 8.011 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.757 -13.214 7.062 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.232 -10.205 5.954 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.746 -8.861 6.189 1.00 0.00 C ATOM 1233 C ILE A 77 -4.004 -8.897 7.051 1.00 0.00 C ATOM 1234 O ILE A 77 -4.692 -9.915 7.120 1.00 0.00 O ATOM 1235 CB ILE A 77 -3.063 -8.140 4.866 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -4.075 -8.947 4.050 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.789 -7.914 4.067 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.729 -8.152 2.942 1.00 0.00 C ATOM 0 H ILE A 77 -2.912 -10.853 5.556 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.965 -8.311 6.714 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.501 -7.169 5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.573 -9.813 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.848 -9.327 4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.030 -7.403 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.099 -7.302 4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.324 -8.874 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.434 -8.787 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.260 -7.301 3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.965 -7.794 2.251 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.299 -7.778 7.704 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.475 -7.681 8.561 1.00 0.00 C ATOM 1252 C ARG A 78 -6.519 -6.753 7.947 1.00 0.00 C ATOM 1253 O ARG A 78 -6.203 -5.644 7.517 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.080 -7.174 9.949 1.00 0.00 C ATOM 1255 CG ARG A 78 -4.228 -8.157 10.736 1.00 0.00 C ATOM 1256 CD ARG A 78 -4.390 -7.957 12.235 1.00 0.00 C ATOM 1257 NE ARG A 78 -3.582 -6.846 12.730 1.00 0.00 N ATOM 1258 CZ ARG A 78 -3.295 -6.659 14.013 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -3.748 -7.507 14.927 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -2.553 -5.624 14.385 1.00 0.00 N ATOM 0 H ARG A 78 -3.740 -6.926 7.656 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.909 -8.677 8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.534 -6.237 9.842 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.984 -6.953 10.517 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.508 -9.177 10.471 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.180 -8.033 10.462 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.439 -7.772 12.465 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.106 -8.872 12.755 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.218 -6.176 12.052 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.318 -8.304 14.645 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.526 -7.362 15.912 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.202 -4.970 13.685 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.334 -5.482 15.371 1.00 0.00 H new ATOM 1274 N VAL A 79 -7.765 -7.216 7.909 1.00 0.00 N ATOM 1275 CA VAL A 79 -8.856 -6.428 7.349 1.00 0.00 C ATOM 1276 C VAL A 79 -10.015 -6.317 8.333 1.00 0.00 C ATOM 1277 O VAL A 79 -10.329 -7.267 9.048 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.372 -7.040 6.032 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.506 -6.202 5.462 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.238 -7.171 5.027 1.00 0.00 C ATOM 0 H VAL A 79 -8.043 -8.133 8.259 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.457 -5.434 7.148 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.759 -8.037 6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.857 -6.650 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.326 -6.164 6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.148 -5.191 5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.619 -7.605 4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.820 -6.186 4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.461 -7.816 5.437 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.648 -5.148 8.363 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.774 -4.912 9.260 1.00 0.00 C ATOM 1292 C ASN A 80 -12.398 -3.545 9.001 1.00 0.00 C ATOM 1293 O ASN A 80 -11.814 -2.702 8.318 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.320 -5.010 10.718 1.00 0.00 C ATOM 1295 CG ASN A 80 -10.249 -3.992 11.060 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -9.057 -4.295 11.029 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -10.672 -2.776 11.388 1.00 0.00 N ATOM 0 H ASN A 80 -10.401 -4.350 7.777 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.526 -5.677 9.068 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -12.179 -4.864 11.374 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.939 -6.013 10.910 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.998 -2.049 11.627 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.671 -2.570 11.400 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.589 -3.330 9.550 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.294 -2.064 9.379 1.00 0.00 C ATOM 1306 C LEU A 81 -13.412 -0.890 9.791 1.00 0.00 C ATOM 1307 O LEU A 81 -12.721 -0.947 10.808 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.584 -2.061 10.201 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.773 -2.799 9.586 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -17.999 -2.674 10.478 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -17.069 -2.265 8.192 1.00 0.00 C ATOM 0 H LEU A 81 -14.087 -4.016 10.117 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.543 -1.955 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.372 -2.503 11.175 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -15.876 -1.026 10.378 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.516 -3.855 9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.835 -3.206 10.024 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -17.783 -3.105 11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.258 -1.622 10.595 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -17.918 -2.802 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.305 -1.202 8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.196 -2.408 7.555 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.442 0.174 8.996 1.00 0.00 N ATOM 1324 CA ALA A 82 -12.649 1.363 9.280 1.00 0.00 C ATOM 1325 C ALA A 82 -12.958 1.910 10.670 1.00 0.00 C ATOM 1326 O ALA A 82 -14.100 1.864 11.127 1.00 0.00 O ATOM 1327 CB ALA A 82 -12.900 2.430 8.224 1.00 0.00 C ATOM 0 H ALA A 82 -14.008 0.237 8.149 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.596 1.082 9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.301 3.313 8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.623 2.044 7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.956 2.699 8.223 1.00 0.00 H new ATOM 1333 N LYS A 83 -11.932 2.426 11.339 1.00 0.00 N ATOM 1334 CA LYS A 83 -12.093 2.982 12.677 1.00 0.00 C ATOM 1335 C LYS A 83 -12.680 4.389 12.615 1.00 0.00 C ATOM 1336 O LYS A 83 -12.503 5.118 11.639 1.00 0.00 O ATOM 1337 CB LYS A 83 -10.747 3.011 13.405 1.00 0.00 C ATOM 1338 CG LYS A 83 -9.839 4.143 12.958 1.00 0.00 C ATOM 1339 CD LYS A 83 -8.665 4.323 13.906 1.00 0.00 C ATOM 1340 CE LYS A 83 -7.443 4.869 13.182 1.00 0.00 C ATOM 1341 NZ LYS A 83 -6.750 3.814 12.391 1.00 0.00 N ATOM 0 H LYS A 83 -10.980 2.471 10.976 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.783 2.343 13.228 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.925 3.100 14.477 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.236 2.062 13.245 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.469 3.939 11.953 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.410 5.070 12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.946 5.002 14.711 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.419 3.367 14.368 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.746 5.680 12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.750 5.293 13.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.904 4.217 11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.469 3.036 13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.393 3.451 11.658 1.00 0.00 H new ATOM 1355 N PRO A 84 -13.394 4.781 13.681 1.00 0.00 N ATOM 1356 CA PRO A 84 -14.019 6.103 13.772 1.00 0.00 C ATOM 1357 C PRO A 84 -12.992 7.220 13.925 1.00 0.00 C ATOM 1358 O PRO A 84 -12.465 7.445 15.014 1.00 0.00 O ATOM 1359 CB PRO A 84 -14.888 5.999 15.027 1.00 0.00 C ATOM 1360 CG PRO A 84 -14.236 4.945 15.853 1.00 0.00 C ATOM 1361 CD PRO A 84 -13.645 3.963 14.879 1.00 0.00 C ATOM 0 HA PRO A 84 -14.578 6.353 12.870 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.930 6.949 15.559 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.914 5.728 14.777 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.464 5.372 16.493 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.959 4.459 16.507 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.726 3.520 15.263 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.331 3.143 14.669 1.00 0.00 H new ATOM 1369 N MET A 85 -12.714 7.917 12.829 1.00 0.00 N ATOM 1370 CA MET A 85 -11.752 9.013 12.843 1.00 0.00 C ATOM 1371 C MET A 85 -11.914 9.862 14.099 1.00 0.00 C ATOM 1372 O MET A 85 -13.006 9.953 14.662 1.00 0.00 O ATOM 1373 CB MET A 85 -11.920 9.885 11.598 1.00 0.00 C ATOM 1374 CG MET A 85 -11.088 9.421 10.413 1.00 0.00 C ATOM 1375 SD MET A 85 -9.336 9.798 10.605 1.00 0.00 S ATOM 1376 CE MET A 85 -9.379 11.588 10.662 1.00 0.00 C ATOM 0 H MET A 85 -13.141 7.743 11.919 1.00 0.00 H new ATOM 0 HA MET A 85 -10.750 8.583 12.843 1.00 0.00 H new ATOM 0 HB2 MET A 85 -12.972 9.895 11.311 1.00 0.00 H new ATOM 0 HB3 MET A 85 -11.647 10.911 11.844 1.00 0.00 H new ATOM 0 HG2 MET A 85 -11.212 8.346 10.285 1.00 0.00 H new ATOM 0 HG3 MET A 85 -11.460 9.895 9.505 1.00 0.00 H new ATOM 0 HE1 MET A 85 -8.664 11.992 9.946 1.00 0.00 H new ATOM 0 HE2 MET A 85 -10.381 11.936 10.410 1.00 0.00 H new ATOM 0 HE3 MET A 85 -9.119 11.926 11.665 1.00 0.00 H new ATOM 1386 N ARG A 86 -10.822 10.483 14.534 1.00 0.00 N ATOM 1387 CA ARG A 86 -10.844 11.324 15.725 1.00 0.00 C ATOM 1388 C ARG A 86 -10.273 12.707 15.424 1.00 0.00 C ATOM 1389 O ARG A 86 -9.068 12.930 15.540 1.00 0.00 O ATOM 1390 CB ARG A 86 -10.048 10.667 16.854 1.00 0.00 C ATOM 1391 CG ARG A 86 -10.460 11.134 18.241 1.00 0.00 C ATOM 1392 CD ARG A 86 -10.061 12.581 18.483 1.00 0.00 C ATOM 1393 NE ARG A 86 -11.119 13.512 18.099 1.00 0.00 N ATOM 1394 CZ ARG A 86 -12.216 13.715 18.819 1.00 0.00 C ATOM 1395 NH1 ARG A 86 -12.398 13.058 19.956 1.00 0.00 N ATOM 1396 NH2 ARG A 86 -13.134 14.579 18.404 1.00 0.00 N ATOM 0 H ARG A 86 -9.911 10.419 14.079 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.881 11.438 16.040 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.171 9.586 16.792 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.988 10.876 16.709 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.539 11.029 18.356 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.996 10.497 18.994 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.821 12.719 19.537 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.157 12.807 17.918 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.009 14.035 17.230 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.694 12.394 20.280 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.242 13.216 20.507 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.997 15.088 17.531 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.976 14.734 18.958 1.00 0.00 H new ATOM 1410 N ILE A 87 -11.147 13.630 15.038 1.00 0.00 N ATOM 1411 CA ILE A 87 -10.730 14.991 14.721 1.00 0.00 C ATOM 1412 C ILE A 87 -11.444 16.005 15.608 1.00 0.00 C ATOM 1413 O ILE A 87 -12.610 15.826 15.961 1.00 0.00 O ATOM 1414 CB ILE A 87 -11.004 15.334 13.245 1.00 0.00 C ATOM 1415 CG1 ILE A 87 -12.499 15.217 12.940 1.00 0.00 C ATOM 1416 CG2 ILE A 87 -10.198 14.423 12.331 1.00 0.00 C ATOM 1417 CD1 ILE A 87 -12.910 15.907 11.658 1.00 0.00 C ATOM 0 H ILE A 87 -12.148 13.461 14.937 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.657 15.043 14.904 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.695 16.363 13.063 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.767 14.162 12.878 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -13.065 15.641 13.769 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.402 14.678 11.291 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.135 14.552 12.534 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.478 13.385 12.512 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.982 15.783 11.506 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.673 16.969 11.724 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.371 15.467 10.819 1.00 0.00 H new ATOM 1429 N LYS A 88 -10.737 17.072 15.965 1.00 0.00 N ATOM 1430 CA LYS A 88 -11.302 18.118 16.809 1.00 0.00 C ATOM 1431 C LYS A 88 -12.221 19.030 16.002 1.00 0.00 C ATOM 1432 O LYS A 88 -11.781 19.699 15.068 1.00 0.00 O ATOM 1433 CB LYS A 88 -10.185 18.942 17.453 1.00 0.00 C ATOM 1434 CG LYS A 88 -9.087 19.341 16.482 1.00 0.00 C ATOM 1435 CD LYS A 88 -8.338 20.573 16.963 1.00 0.00 C ATOM 1436 CE LYS A 88 -7.155 20.198 17.842 1.00 0.00 C ATOM 1437 NZ LYS A 88 -5.938 19.900 17.037 1.00 0.00 N ATOM 0 H LYS A 88 -9.771 17.235 15.682 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.890 17.640 17.593 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -10.616 19.842 17.892 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.746 18.368 18.269 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.388 18.513 16.361 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.521 19.537 15.502 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.988 21.145 16.104 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.017 21.218 17.521 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.943 21.014 18.533 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.413 19.328 18.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.154 19.649 17.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.132 19.105 16.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.677 20.738 16.480 1.00 0.00 H new ATOM 1451 N GLU A 89 -13.498 19.052 16.371 1.00 0.00 N ATOM 1452 CA GLU A 89 -14.478 19.883 15.681 1.00 0.00 C ATOM 1453 C GLU A 89 -14.112 21.361 15.793 1.00 0.00 C ATOM 1454 O GLU A 89 -13.807 21.855 16.878 1.00 0.00 O ATOM 1455 CB GLU A 89 -15.875 19.647 16.256 1.00 0.00 C ATOM 1456 CG GLU A 89 -16.011 20.057 17.713 1.00 0.00 C ATOM 1457 CD GLU A 89 -17.435 19.942 18.221 1.00 0.00 C ATOM 1458 OE1 GLU A 89 -17.822 18.839 18.662 1.00 0.00 O ATOM 1459 OE2 GLU A 89 -18.163 20.956 18.179 1.00 0.00 O ATOM 0 H GLU A 89 -13.878 18.504 17.143 1.00 0.00 H new ATOM 0 HA GLU A 89 -14.476 19.604 14.627 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -16.602 20.201 15.662 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -16.125 18.590 16.160 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.360 19.433 18.325 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.669 21.085 17.831 1.00 0.00 H new ATOM 1466 N SER A 90 -14.145 22.060 14.662 1.00 0.00 N ATOM 1467 CA SER A 90 -13.814 23.479 14.632 1.00 0.00 C ATOM 1468 C SER A 90 -14.566 24.237 15.721 1.00 0.00 C ATOM 1469 O SER A 90 -13.974 24.996 16.487 1.00 0.00 O ATOM 1470 CB SER A 90 -14.145 24.072 13.261 1.00 0.00 C ATOM 1471 OG SER A 90 -13.502 25.322 13.077 1.00 0.00 O ATOM 0 H SER A 90 -14.398 21.666 13.756 1.00 0.00 H new ATOM 0 HA SER A 90 -12.745 23.581 14.816 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.834 23.381 12.478 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.224 24.197 13.166 1.00 0.00 H new ATOM 0 HG SER A 90 -13.728 25.679 12.193 1.00 0.00 H new ATOM 1477 N GLY A 91 -15.877 24.024 15.784 1.00 0.00 N ATOM 1478 CA GLY A 91 -16.691 24.693 16.782 1.00 0.00 C ATOM 1479 C GLY A 91 -16.863 26.171 16.493 1.00 0.00 C ATOM 1480 O GLY A 91 -16.455 27.030 17.276 1.00 0.00 O ATOM 0 H GLY A 91 -16.390 23.400 15.161 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -17.671 24.218 16.825 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.233 24.569 17.763 1.00 0.00 H new ATOM 1484 N PRO A 92 -17.480 26.486 15.345 1.00 0.00 N ATOM 1485 CA PRO A 92 -17.718 27.871 14.928 1.00 0.00 C ATOM 1486 C PRO A 92 -18.765 28.565 15.793 1.00 0.00 C ATOM 1487 O PRO A 92 -19.448 27.923 16.591 1.00 0.00 O ATOM 1488 CB PRO A 92 -18.224 27.726 13.490 1.00 0.00 C ATOM 1489 CG PRO A 92 -18.814 26.360 13.432 1.00 0.00 C ATOM 1490 CD PRO A 92 -17.992 25.514 14.364 1.00 0.00 C ATOM 0 HA PRO A 92 -16.822 28.484 15.020 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.966 28.488 13.253 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -17.412 27.837 12.771 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -19.860 26.374 13.738 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -18.784 25.965 12.417 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -18.594 24.741 14.841 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.182 25.008 13.839 1.00 0.00 H new ATOM 1498 N SER A 93 -18.884 29.878 15.630 1.00 0.00 N ATOM 1499 CA SER A 93 -19.845 30.660 16.399 1.00 0.00 C ATOM 1500 C SER A 93 -20.781 31.433 15.474 1.00 0.00 C ATOM 1501 O SER A 93 -20.402 31.816 14.368 1.00 0.00 O ATOM 1502 CB SER A 93 -19.116 31.629 17.332 1.00 0.00 C ATOM 1503 OG SER A 93 -18.110 30.963 18.074 1.00 0.00 O ATOM 0 H SER A 93 -18.327 30.423 14.972 1.00 0.00 H new ATOM 0 HA SER A 93 -20.441 29.971 16.997 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.669 32.434 16.748 1.00 0.00 H new ATOM 0 HB3 SER A 93 -19.831 32.089 18.014 1.00 0.00 H new ATOM 0 HG SER A 93 -17.658 31.604 18.661 1.00 0.00 H new ATOM 1509 N SER A 94 -22.006 31.659 15.937 1.00 0.00 N ATOM 1510 CA SER A 94 -22.999 32.382 15.151 1.00 0.00 C ATOM 1511 C SER A 94 -23.418 33.669 15.857 1.00 0.00 C ATOM 1512 O SER A 94 -23.284 33.795 17.073 1.00 0.00 O ATOM 1513 CB SER A 94 -24.225 31.501 14.903 1.00 0.00 C ATOM 1514 OG SER A 94 -24.841 31.129 16.123 1.00 0.00 O ATOM 0 H SER A 94 -22.335 31.352 16.852 1.00 0.00 H new ATOM 0 HA SER A 94 -22.548 32.643 14.193 1.00 0.00 H new ATOM 0 HB2 SER A 94 -24.941 32.036 14.279 1.00 0.00 H new ATOM 0 HB3 SER A 94 -23.929 30.607 14.354 1.00 0.00 H new ATOM 0 HG SER A 94 -25.623 30.568 15.937 1.00 0.00 H new ATOM 1520 N GLY A 95 -23.926 34.622 15.083 1.00 0.00 N ATOM 1521 CA GLY A 95 -24.357 35.887 15.650 1.00 0.00 C ATOM 1522 C GLY A 95 -23.288 36.957 15.559 1.00 0.00 C ATOM 1523 O GLY A 95 -22.158 36.683 15.155 1.00 0.00 O ATOM 0 H GLY A 95 -24.047 34.541 14.073 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -25.253 36.228 15.131 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -24.631 35.739 16.695 1.00 0.00 H new TER 1527 GLY A 95