USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 HIS : no HE2:sc= 0.0647 X(o=0.13,f=-0.028) USER MOD Set 1.2: A 94 TYR OH : rot -59:sc= 0.0606 USER MOD Set 2.1: A 32 THR OG1 : rot 86:sc= 1.2 USER MOD Set 2.2: A 35 GLN : amide:sc= 1.97 K(o=3.2,f=-5.1!) USER MOD Set 3.1: A 10 GLN : amide:sc= 0.288 K(o=0.29,f=-4.4!) USER MOD Set 3.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.114 USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= -0.0103 (180deg=-0.126) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0286 F(o=-1.2!,f=-0.029) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0346 X(o=-0.035,f=-0.0064) USER MOD Single : A 30 HIS : no HD1:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 38 THR OG1 : rot 86:sc= 1.29 USER MOD Single : A 41 MET CE :methyl 164:sc= -0.162 (180deg=-0.606) USER MOD Single : A 42 GLN : amide:sc= -1.69! C(o=-1.7!,f=-7.3!) USER MOD Single : A 43 SER OG : rot -104:sc= 1.25 USER MOD Single : A 44 SER OG : rot -42:sc= 0.636 USER MOD Single : A 47 GLN : amide:sc= -0.0261 K(o=-0.026,f=-0.57) USER MOD Single : A 49 GLN : amide:sc= -0.0457 X(o=-0.046,f=-0.2) USER MOD Single : A 52 SER OG : rot 60:sc= 1.24 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 57 SER OG : rot -140:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.623 F(o=-1.9,f=-0.62) USER MOD Single : A 64 LYS NZ :NH3+ -134:sc= 1.19 (180deg=0.921) USER MOD Single : A 66 THR OG1 : rot 120:sc= 0.725 USER MOD Single : A 74 MET CE :methyl 140:sc= -0.354 (180deg=-1.18) USER MOD Single : A 81 MET CE :methyl -177:sc= -0.0218 (180deg=-0.0324) USER MOD Single : A 82 SER OG : rot -34:sc= 0.062 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N TRP A 6 -4.275 8.326 8.449 1.00 0.00 N ATOM 73 CA TRP A 6 -4.289 7.757 7.097 1.00 0.00 C ATOM 74 C TRP A 6 -5.487 8.303 6.308 1.00 0.00 C ATOM 75 O TRP A 6 -6.642 8.123 6.696 1.00 0.00 O ATOM 76 CB TRP A 6 -4.311 6.223 7.162 1.00 0.00 C ATOM 77 CG TRP A 6 -3.702 5.535 5.979 1.00 0.00 C ATOM 78 CD1 TRP A 6 -2.928 6.091 5.002 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.801 4.142 5.669 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.550 5.127 4.098 1.00 0.00 N ATOM 81 CE2 TRP A 6 -3.073 3.923 4.486 1.00 0.00 C ATOM 82 CE3 TRP A 6 -4.440 3.059 6.277 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -2.967 2.665 3.900 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.334 1.811 5.697 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.602 1.623 4.519 1.00 0.00 C ATOM 0 HA TRP A 6 -3.379 8.053 6.575 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -3.784 5.904 8.061 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.345 5.893 7.264 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.653 7.134 4.947 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.973 5.284 3.272 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.007 3.196 7.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.404 2.517 2.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.823 0.967 6.159 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.537 0.634 4.089 1.00 0.00 H new ATOM 96 N ALA A 7 -5.196 8.969 5.194 1.00 0.00 N ATOM 97 CA ALA A 7 -6.202 9.732 4.452 1.00 0.00 C ATOM 98 C ALA A 7 -7.222 8.860 3.720 1.00 0.00 C ATOM 99 O ALA A 7 -8.171 9.383 3.133 1.00 0.00 O ATOM 100 CB ALA A 7 -5.525 10.666 3.463 1.00 0.00 C ATOM 0 H ALA A 7 -4.264 8.997 4.780 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.758 10.302 5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.282 11.228 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.877 11.358 4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.929 10.083 2.761 1.00 0.00 H new ATOM 106 N VAL A 8 -7.036 7.549 3.732 1.00 0.00 N ATOM 107 CA VAL A 8 -8.000 6.659 3.099 1.00 0.00 C ATOM 108 C VAL A 8 -9.209 6.475 4.019 1.00 0.00 C ATOM 109 O VAL A 8 -9.055 6.155 5.198 1.00 0.00 O ATOM 110 CB VAL A 8 -7.378 5.286 2.724 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.783 4.594 3.939 1.00 0.00 C ATOM 112 CG2 VAL A 8 -8.403 4.388 2.044 1.00 0.00 C ATOM 0 H VAL A 8 -6.240 7.082 4.166 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.320 7.121 2.165 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.569 5.477 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.357 3.636 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.001 5.221 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.563 4.428 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.941 3.434 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.242 4.218 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.761 4.869 1.134 1.00 0.00 H new ATOM 122 N PRO A 9 -10.423 6.726 3.492 1.00 0.00 N ATOM 123 CA PRO A 9 -11.669 6.654 4.271 1.00 0.00 C ATOM 124 C PRO A 9 -11.781 5.380 5.107 1.00 0.00 C ATOM 125 O PRO A 9 -11.466 4.285 4.634 1.00 0.00 O ATOM 126 CB PRO A 9 -12.751 6.684 3.193 1.00 0.00 C ATOM 127 CG PRO A 9 -12.142 7.450 2.071 1.00 0.00 C ATOM 128 CD PRO A 9 -10.676 7.116 2.090 1.00 0.00 C ATOM 0 HA PRO A 9 -11.738 7.463 4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.028 5.677 2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.659 7.166 3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.593 7.172 1.118 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.300 8.521 2.198 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.441 6.305 1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.067 7.971 1.796 1.00 0.00 H new ATOM 136 N GLN A 10 -12.239 5.532 6.346 1.00 0.00 N ATOM 137 CA GLN A 10 -12.326 4.413 7.278 1.00 0.00 C ATOM 138 C GLN A 10 -13.203 3.270 6.747 1.00 0.00 C ATOM 139 O GLN A 10 -12.835 2.103 6.865 1.00 0.00 O ATOM 140 CB GLN A 10 -12.805 4.879 8.663 1.00 0.00 C ATOM 141 CG GLN A 10 -13.696 6.120 8.665 1.00 0.00 C ATOM 142 CD GLN A 10 -15.013 5.924 7.945 1.00 0.00 C ATOM 143 OE1 GLN A 10 -15.124 6.189 6.747 1.00 0.00 O ATOM 144 NE2 GLN A 10 -16.013 5.446 8.662 1.00 0.00 N ATOM 0 H GLN A 10 -12.557 6.423 6.729 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.317 4.014 7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.349 4.061 9.135 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.931 5.079 9.283 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.896 6.412 9.696 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.156 6.945 8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.878 5.240 9.652 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.921 5.283 8.226 1.00 0.00 H new ATOM 153 N SER A 11 -14.343 3.593 6.155 1.00 0.00 N ATOM 154 CA SER A 11 -15.214 2.573 5.593 1.00 0.00 C ATOM 155 C SER A 11 -14.550 1.907 4.389 1.00 0.00 C ATOM 156 O SER A 11 -14.705 0.706 4.167 1.00 0.00 O ATOM 157 CB SER A 11 -16.561 3.184 5.202 1.00 0.00 C ATOM 158 OG SER A 11 -17.206 3.747 6.334 1.00 0.00 O ATOM 0 H SER A 11 -14.685 4.548 6.052 1.00 0.00 H new ATOM 0 HA SER A 11 -15.390 1.808 6.349 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.411 3.952 4.444 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.198 2.419 4.758 1.00 0.00 H new ATOM 0 HG SER A 11 -18.065 4.134 6.063 1.00 0.00 H new ATOM 164 N SER A 12 -13.789 2.685 3.631 1.00 0.00 N ATOM 165 CA SER A 12 -13.075 2.155 2.482 1.00 0.00 C ATOM 166 C SER A 12 -11.930 1.249 2.926 1.00 0.00 C ATOM 167 O SER A 12 -11.759 0.151 2.394 1.00 0.00 O ATOM 168 CB SER A 12 -12.536 3.293 1.614 1.00 0.00 C ATOM 169 OG SER A 12 -13.592 4.090 1.097 1.00 0.00 O ATOM 0 H SER A 12 -13.652 3.683 3.792 1.00 0.00 H new ATOM 0 HA SER A 12 -13.776 1.564 1.892 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.862 3.915 2.203 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.952 2.881 0.791 1.00 0.00 H new ATOM 0 HG SER A 12 -13.219 4.811 0.547 1.00 0.00 H new ATOM 175 N ARG A 13 -11.159 1.700 3.916 1.00 0.00 N ATOM 176 CA ARG A 13 -10.018 0.929 4.401 1.00 0.00 C ATOM 177 C ARG A 13 -10.489 -0.411 4.958 1.00 0.00 C ATOM 178 O ARG A 13 -9.812 -1.422 4.808 1.00 0.00 O ATOM 179 CB ARG A 13 -9.221 1.696 5.473 1.00 0.00 C ATOM 180 CG ARG A 13 -9.894 1.727 6.836 1.00 0.00 C ATOM 181 CD ARG A 13 -9.003 2.331 7.907 1.00 0.00 C ATOM 182 NE ARG A 13 -9.593 2.182 9.238 1.00 0.00 N ATOM 183 CZ ARG A 13 -8.923 2.336 10.382 1.00 0.00 C ATOM 184 NH1 ARG A 13 -7.652 2.715 10.380 1.00 0.00 N ATOM 185 NH2 ARG A 13 -9.541 2.134 11.535 1.00 0.00 N ATOM 0 H ARG A 13 -11.304 2.589 4.394 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.353 0.757 3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.236 1.240 5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.065 2.720 5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.818 2.301 6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.169 0.713 7.126 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.026 1.849 7.884 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.842 3.388 7.695 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.583 1.944 9.295 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.174 2.893 9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.152 2.829 11.262 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.524 1.862 11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.034 2.250 12.413 1.00 0.00 H new ATOM 199 N LEU A 14 -11.666 -0.411 5.580 1.00 0.00 N ATOM 200 CA LEU A 14 -12.251 -1.627 6.118 1.00 0.00 C ATOM 201 C LEU A 14 -12.621 -2.587 5.000 1.00 0.00 C ATOM 202 O LEU A 14 -12.478 -3.800 5.135 1.00 0.00 O ATOM 203 CB LEU A 14 -13.496 -1.299 6.936 1.00 0.00 C ATOM 204 CG LEU A 14 -13.242 -0.611 8.278 1.00 0.00 C ATOM 205 CD1 LEU A 14 -14.543 -0.461 9.048 1.00 0.00 C ATOM 206 CD2 LEU A 14 -12.225 -1.391 9.095 1.00 0.00 C ATOM 0 H LEU A 14 -12.233 0.425 5.722 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.510 -2.101 6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.144 -0.660 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.042 -2.224 7.120 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.836 0.382 8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.347 0.030 10.001 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.242 0.140 8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.974 -1.446 9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.058 -0.886 10.046 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.601 -2.397 9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.285 -1.450 8.546 1.00 0.00 H new ATOM 218 N LYS A 15 -13.097 -2.030 3.901 1.00 0.00 N ATOM 219 CA LYS A 15 -13.523 -2.819 2.757 1.00 0.00 C ATOM 220 C LYS A 15 -12.329 -3.473 2.062 1.00 0.00 C ATOM 221 O LYS A 15 -12.426 -4.597 1.570 1.00 0.00 O ATOM 222 CB LYS A 15 -14.295 -1.938 1.774 1.00 0.00 C ATOM 223 CG LYS A 15 -15.016 -2.726 0.701 1.00 0.00 C ATOM 224 CD LYS A 15 -15.865 -1.829 -0.182 1.00 0.00 C ATOM 225 CE LYS A 15 -16.699 -2.646 -1.154 1.00 0.00 C ATOM 226 NZ LYS A 15 -15.852 -3.474 -2.056 1.00 0.00 N ATOM 0 H LYS A 15 -13.199 -1.023 3.775 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.178 -3.614 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.021 -1.340 2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.603 -1.242 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.287 -3.256 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.649 -3.481 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.520 -1.218 0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.222 -1.145 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.375 -3.294 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.319 -1.977 -1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.445 -3.896 -2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.123 -2.875 -2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.396 -4.230 -1.507 1.00 0.00 H new ATOM 240 N TYR A 16 -11.205 -2.768 2.021 1.00 0.00 N ATOM 241 CA TYR A 16 -9.984 -3.323 1.437 1.00 0.00 C ATOM 242 C TYR A 16 -9.272 -4.226 2.437 1.00 0.00 C ATOM 243 O TYR A 16 -8.673 -5.224 2.055 1.00 0.00 O ATOM 244 CB TYR A 16 -9.013 -2.223 0.989 1.00 0.00 C ATOM 245 CG TYR A 16 -9.581 -1.209 0.019 1.00 0.00 C ATOM 246 CD1 TYR A 16 -10.115 -1.596 -1.204 1.00 0.00 C ATOM 247 CD2 TYR A 16 -9.559 0.143 0.326 1.00 0.00 C ATOM 248 CE1 TYR A 16 -10.617 -0.658 -2.091 1.00 0.00 C ATOM 249 CE2 TYR A 16 -10.054 1.084 -0.553 1.00 0.00 C ATOM 250 CZ TYR A 16 -10.580 0.681 -1.760 1.00 0.00 C ATOM 251 OH TYR A 16 -11.069 1.621 -2.639 1.00 0.00 O ATOM 0 H TYR A 16 -11.111 -1.818 2.381 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.288 -3.900 0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.657 -1.694 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.145 -2.694 0.528 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.139 -2.643 -1.467 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.147 0.465 1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.035 -0.973 -3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.029 2.133 -0.295 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.968 2.515 -2.251 1.00 0.00 H new ATOM 261 N ARG A 17 -9.331 -3.875 3.720 1.00 0.00 N ATOM 262 CA ARG A 17 -8.748 -4.720 4.765 1.00 0.00 C ATOM 263 C ARG A 17 -9.448 -6.070 4.754 1.00 0.00 C ATOM 264 O ARG A 17 -8.877 -7.077 5.133 1.00 0.00 O ATOM 265 CB ARG A 17 -8.873 -4.058 6.151 1.00 0.00 C ATOM 266 CG ARG A 17 -7.864 -4.552 7.197 1.00 0.00 C ATOM 267 CD ARG A 17 -8.184 -5.943 7.731 1.00 0.00 C ATOM 268 NE ARG A 17 -9.440 -5.976 8.478 1.00 0.00 N ATOM 269 CZ ARG A 17 -9.723 -6.876 9.424 1.00 0.00 C ATOM 270 NH1 ARG A 17 -8.836 -7.806 9.748 1.00 0.00 N ATOM 271 NH2 ARG A 17 -10.886 -6.829 10.060 1.00 0.00 N ATOM 0 H ARG A 17 -9.771 -3.020 4.061 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.685 -4.854 4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.756 -2.981 6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.880 -4.230 6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.867 -4.560 6.755 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.839 -3.848 8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.240 -6.645 6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.372 -6.278 8.376 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.143 -5.269 8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.933 -7.837 9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.056 -8.491 10.471 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.566 -6.105 9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.101 -7.517 10.782 1.00 0.00 H new ATOM 285 N GLN A 18 -10.683 -6.062 4.278 1.00 0.00 N ATOM 286 CA GLN A 18 -11.519 -7.258 4.180 1.00 0.00 C ATOM 287 C GLN A 18 -11.089 -8.169 3.034 1.00 0.00 C ATOM 288 O GLN A 18 -11.504 -9.317 2.942 1.00 0.00 O ATOM 289 CB GLN A 18 -12.955 -6.833 3.939 1.00 0.00 C ATOM 290 CG GLN A 18 -13.804 -6.765 5.194 1.00 0.00 C ATOM 291 CD GLN A 18 -15.189 -6.211 4.925 1.00 0.00 C ATOM 292 OE1 GLN A 18 -16.121 -6.952 4.621 1.00 0.00 O ATOM 293 NE2 GLN A 18 -15.328 -4.899 5.028 1.00 0.00 N ATOM 0 H GLN A 18 -11.143 -5.216 3.943 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.416 -7.812 5.113 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.956 -5.854 3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.416 -7.531 3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.892 -7.763 5.624 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.304 -6.141 5.935 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.528 -4.320 5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.235 -4.467 4.852 1.00 0.00 H new ATOM 302 N LEU A 19 -10.266 -7.639 2.164 1.00 0.00 N ATOM 303 CA LEU A 19 -9.922 -8.299 0.905 1.00 0.00 C ATOM 304 C LEU A 19 -8.602 -7.797 0.395 1.00 0.00 C ATOM 305 O LEU A 19 -8.454 -7.684 -0.813 1.00 0.00 O ATOM 306 CB LEU A 19 -10.932 -7.855 -0.139 1.00 0.00 C ATOM 307 CG LEU A 19 -11.286 -8.882 -1.212 1.00 0.00 C ATOM 308 CD1 LEU A 19 -12.030 -10.056 -0.604 1.00 0.00 C ATOM 309 CD2 LEU A 19 -12.106 -8.235 -2.317 1.00 0.00 C ATOM 0 H LEU A 19 -9.809 -6.737 2.298 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.901 -9.376 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.849 -7.564 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.546 -6.963 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.361 -9.258 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.273 -10.776 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.403 -10.534 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.950 -9.702 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.350 -8.981 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.027 -7.830 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.530 -7.430 -2.774 1.00 0.00 H new ATOM 321 N PHE A 20 -7.609 -7.559 1.234 1.00 0.00 N ATOM 322 CA PHE A 20 -6.929 -8.516 2.139 1.00 0.00 C ATOM 323 C PHE A 20 -7.745 -9.632 2.820 1.00 0.00 C ATOM 324 O PHE A 20 -7.742 -10.754 2.327 1.00 0.00 O ATOM 325 CB PHE A 20 -6.206 -7.702 3.214 1.00 0.00 C ATOM 326 CG PHE A 20 -5.024 -8.398 3.817 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.826 -8.461 3.127 1.00 0.00 C ATOM 328 CD2 PHE A 20 -5.104 -8.977 5.071 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.729 -9.089 3.676 1.00 0.00 C ATOM 330 CE2 PHE A 20 -4.009 -9.605 5.627 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.820 -9.662 4.927 1.00 0.00 C ATOM 0 H PHE A 20 -7.214 -6.622 1.319 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.283 -9.084 1.470 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.876 -6.759 2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.913 -7.458 4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.750 -8.013 2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.033 -8.937 5.620 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.800 -9.132 3.127 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.081 -10.051 6.608 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.962 -10.155 5.359 1.00 0.00 H new ATOM 341 N ASN A 21 -8.448 -9.328 3.905 1.00 0.00 N ATOM 342 CA ASN A 21 -8.778 -10.317 4.960 1.00 0.00 C ATOM 343 C ASN A 21 -9.331 -11.648 4.437 1.00 0.00 C ATOM 344 O ASN A 21 -8.894 -12.710 4.879 1.00 0.00 O ATOM 345 CB ASN A 21 -9.795 -9.711 5.930 1.00 0.00 C ATOM 346 CG ASN A 21 -9.795 -10.369 7.294 1.00 0.00 C ATOM 347 OD1 ASN A 21 -8.623 -10.762 7.767 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 -10.840 -10.489 7.933 1.00 0.00 N flip ATOM 0 H ASN A 21 -8.811 -8.393 4.091 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.833 -10.546 5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.584 -8.648 6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.792 -9.792 5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.723 -10.173 7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.823 -10.905 8.864 1.00 0.00 H new ATOM 355 N SER A 22 -10.269 -11.596 3.507 1.00 0.00 N ATOM 356 CA SER A 22 -10.903 -12.802 2.983 1.00 0.00 C ATOM 357 C SER A 22 -9.895 -13.708 2.255 1.00 0.00 C ATOM 358 O SER A 22 -10.116 -14.909 2.116 1.00 0.00 O ATOM 359 CB SER A 22 -12.055 -12.419 2.046 1.00 0.00 C ATOM 360 OG SER A 22 -12.876 -13.534 1.741 1.00 0.00 O ATOM 0 H SER A 22 -10.612 -10.728 3.095 1.00 0.00 H new ATOM 0 HA SER A 22 -11.297 -13.369 3.827 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.658 -11.639 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.651 -12.002 1.124 1.00 0.00 H new ATOM 0 HG SER A 22 -13.600 -13.253 1.143 1.00 0.00 H new ATOM 366 N HIS A 23 -8.791 -13.129 1.791 1.00 0.00 N ATOM 367 CA HIS A 23 -7.799 -13.878 1.018 1.00 0.00 C ATOM 368 C HIS A 23 -6.645 -14.374 1.887 1.00 0.00 C ATOM 369 O HIS A 23 -5.799 -15.139 1.420 1.00 0.00 O ATOM 370 CB HIS A 23 -7.245 -13.025 -0.126 1.00 0.00 C ATOM 371 CG HIS A 23 -8.195 -12.869 -1.272 1.00 0.00 C ATOM 372 ND1 HIS A 23 -8.082 -13.583 -2.442 1.00 0.00 N ATOM 373 CD2 HIS A 23 -9.282 -12.078 -1.423 1.00 0.00 C ATOM 374 CE1 HIS A 23 -9.053 -13.237 -3.263 1.00 0.00 C ATOM 375 NE2 HIS A 23 -9.798 -12.325 -2.670 1.00 0.00 N ATOM 0 H HIS A 23 -8.559 -12.146 1.935 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.313 -14.748 0.609 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.988 -12.038 0.259 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.321 -13.475 -0.489 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.672 -11.381 -0.696 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.212 -13.634 -4.255 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.622 -11.877 -3.072 1.00 0.00 H new ATOM 384 N ASP A 24 -6.603 -13.943 3.141 1.00 0.00 N ATOM 385 CA ASP A 24 -5.542 -14.371 4.052 1.00 0.00 C ATOM 386 C ASP A 24 -6.035 -15.543 4.885 1.00 0.00 C ATOM 387 O ASP A 24 -7.207 -15.599 5.253 1.00 0.00 O ATOM 388 CB ASP A 24 -5.109 -13.225 4.983 1.00 0.00 C ATOM 389 CG ASP A 24 -3.803 -13.512 5.724 1.00 0.00 C ATOM 390 OD1 ASP A 24 -3.750 -14.468 6.532 1.00 0.00 O ATOM 391 OD2 ASP A 24 -2.821 -12.780 5.502 1.00 0.00 O ATOM 0 H ASP A 24 -7.283 -13.303 3.551 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.679 -14.670 3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.994 -12.313 4.397 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.899 -13.039 5.711 1.00 0.00 H new ATOM 467 N HIS A 30 0.366 -10.587 5.278 1.00 0.00 N ATOM 468 CA HIS A 30 0.903 -9.902 4.116 1.00 0.00 C ATOM 469 C HIS A 30 0.779 -10.797 2.899 1.00 0.00 C ATOM 470 O HIS A 30 0.790 -12.023 3.015 1.00 0.00 O ATOM 471 CB HIS A 30 2.372 -9.495 4.325 1.00 0.00 C ATOM 472 CG HIS A 30 3.287 -10.620 4.724 1.00 0.00 C ATOM 473 ND1 HIS A 30 3.759 -10.782 6.008 1.00 0.00 N ATOM 474 CD2 HIS A 30 3.827 -11.631 3.999 1.00 0.00 C ATOM 475 CE1 HIS A 30 4.546 -11.839 6.057 1.00 0.00 C ATOM 476 NE2 HIS A 30 4.603 -12.371 4.851 1.00 0.00 N ATOM 0 HA HIS A 30 0.327 -8.989 3.963 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.746 -9.051 3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.415 -8.721 5.092 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.674 -11.818 2.946 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.057 -12.207 6.935 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.139 -13.200 4.594 1.00 0.00 H new ATOM 485 N LEU A 31 0.659 -10.187 1.743 1.00 0.00 N ATOM 486 CA LEU A 31 0.558 -10.929 0.501 1.00 0.00 C ATOM 487 C LEU A 31 1.852 -10.805 -0.282 1.00 0.00 C ATOM 488 O LEU A 31 2.442 -9.728 -0.352 1.00 0.00 O ATOM 489 CB LEU A 31 -0.613 -10.417 -0.339 1.00 0.00 C ATOM 490 CG LEU A 31 -1.992 -10.549 0.315 1.00 0.00 C ATOM 491 CD1 LEU A 31 -3.070 -9.970 -0.587 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.294 -12.004 0.638 1.00 0.00 C ATOM 0 H LEU A 31 0.629 -9.173 1.633 1.00 0.00 H new ATOM 0 HA LEU A 31 0.381 -11.978 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.439 -9.367 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.624 -10.958 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.983 -9.984 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.042 -10.073 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.865 -8.915 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.077 -10.506 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.278 -12.077 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.281 -12.591 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.540 -12.388 1.324 1.00 0.00 H new ATOM 504 N THR A 32 2.297 -11.911 -0.854 1.00 0.00 N ATOM 505 CA THR A 32 3.512 -11.921 -1.654 1.00 0.00 C ATOM 506 C THR A 32 3.257 -11.223 -2.994 1.00 0.00 C ATOM 507 O THR A 32 2.101 -10.998 -3.360 1.00 0.00 O ATOM 508 CB THR A 32 3.991 -13.371 -1.896 1.00 0.00 C ATOM 509 OG1 THR A 32 3.846 -14.136 -0.691 1.00 0.00 O ATOM 510 CG2 THR A 32 5.451 -13.411 -2.338 1.00 0.00 C ATOM 0 H THR A 32 1.834 -12.817 -0.779 1.00 0.00 H new ATOM 0 HA THR A 32 4.291 -11.385 -1.112 1.00 0.00 H new ATOM 0 HB THR A 32 3.378 -13.796 -2.690 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.935 -14.494 -0.639 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.754 -14.446 -2.499 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.566 -12.851 -3.266 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.077 -12.965 -1.565 1.00 0.00 H new ATOM 518 N GLY A 33 4.333 -10.878 -3.704 1.00 0.00 N ATOM 519 CA GLY A 33 4.229 -10.219 -4.998 1.00 0.00 C ATOM 520 C GLY A 33 3.171 -10.822 -5.905 1.00 0.00 C ATOM 521 O GLY A 33 2.204 -10.141 -6.250 1.00 0.00 O ATOM 0 H GLY A 33 5.291 -11.048 -3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.003 -9.164 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.196 -10.267 -5.499 1.00 0.00 H new ATOM 525 N PRO A 34 3.327 -12.092 -6.319 1.00 0.00 N ATOM 526 CA PRO A 34 2.335 -12.777 -7.154 1.00 0.00 C ATOM 527 C PRO A 34 0.915 -12.666 -6.597 1.00 0.00 C ATOM 528 O PRO A 34 -0.017 -12.370 -7.337 1.00 0.00 O ATOM 529 CB PRO A 34 2.802 -14.231 -7.140 1.00 0.00 C ATOM 530 CG PRO A 34 4.269 -14.154 -6.907 1.00 0.00 C ATOM 531 CD PRO A 34 4.492 -12.953 -6.030 1.00 0.00 C ATOM 0 HA PRO A 34 2.278 -12.341 -8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.305 -14.799 -6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.576 -14.729 -8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.635 -15.061 -6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.808 -14.054 -7.849 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.536 -13.228 -4.976 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.430 -12.452 -6.268 1.00 0.00 H new ATOM 539 N GLN A 35 0.762 -12.885 -5.290 1.00 0.00 N ATOM 540 CA GLN A 35 -0.552 -12.825 -4.645 1.00 0.00 C ATOM 541 C GLN A 35 -1.180 -11.445 -4.822 1.00 0.00 C ATOM 542 O GLN A 35 -2.309 -11.320 -5.302 1.00 0.00 O ATOM 543 CB GLN A 35 -0.440 -13.148 -3.151 1.00 0.00 C ATOM 544 CG GLN A 35 0.069 -14.548 -2.851 1.00 0.00 C ATOM 545 CD GLN A 35 0.177 -14.812 -1.362 1.00 0.00 C ATOM 546 OE1 GLN A 35 1.213 -14.552 -0.751 1.00 0.00 O ATOM 547 NE2 GLN A 35 -0.891 -15.315 -0.763 1.00 0.00 N ATOM 0 H GLN A 35 1.531 -13.105 -4.657 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.189 -13.569 -5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.227 -12.424 -2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.420 -13.023 -2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.602 -15.280 -3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.046 -14.684 -3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.732 -15.517 -1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.873 -15.500 0.240 1.00 0.00 H new ATOM 556 N ALA A 36 -0.431 -10.417 -4.441 1.00 0.00 N ATOM 557 CA ALA A 36 -0.887 -9.039 -4.560 1.00 0.00 C ATOM 558 C ALA A 36 -1.206 -8.698 -6.014 1.00 0.00 C ATOM 559 O ALA A 36 -2.264 -8.146 -6.319 1.00 0.00 O ATOM 560 CB ALA A 36 0.171 -8.096 -4.015 1.00 0.00 C ATOM 0 H ALA A 36 0.503 -10.515 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.800 -8.923 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.177 -7.067 -4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.356 -8.324 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.094 -8.219 -4.581 1.00 0.00 H new ATOM 566 N ARG A 37 -0.293 -9.066 -6.909 1.00 0.00 N ATOM 567 CA ARG A 37 -0.439 -8.775 -8.330 1.00 0.00 C ATOM 568 C ARG A 37 -1.644 -9.490 -8.927 1.00 0.00 C ATOM 569 O ARG A 37 -2.285 -8.972 -9.834 1.00 0.00 O ATOM 570 CB ARG A 37 0.828 -9.167 -9.091 1.00 0.00 C ATOM 571 CG ARG A 37 1.952 -8.151 -8.979 1.00 0.00 C ATOM 572 CD ARG A 37 3.179 -8.621 -9.735 1.00 0.00 C ATOM 573 NE ARG A 37 4.215 -7.592 -9.824 1.00 0.00 N ATOM 574 CZ ARG A 37 5.472 -7.842 -10.195 1.00 0.00 C ATOM 575 NH1 ARG A 37 5.870 -9.089 -10.407 1.00 0.00 N ATOM 576 NH2 ARG A 37 6.339 -6.850 -10.334 1.00 0.00 N ATOM 0 H ARG A 37 0.561 -9.570 -6.671 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.599 -7.701 -8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.182 -10.128 -8.718 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.580 -9.305 -10.143 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.621 -7.191 -9.375 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.203 -7.994 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.589 -9.502 -9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.887 -8.925 -10.740 1.00 0.00 H new ATOM 0 HE ARG A 37 3.963 -6.632 -9.590 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.214 -9.861 -10.287 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.832 -9.276 -10.691 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.047 -5.889 -10.157 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.299 -7.047 -10.618 1.00 0.00 H new ATOM 590 N THR A 38 -1.957 -10.669 -8.408 1.00 0.00 N ATOM 591 CA THR A 38 -3.094 -11.443 -8.894 1.00 0.00 C ATOM 592 C THR A 38 -4.399 -10.683 -8.671 1.00 0.00 C ATOM 593 O THR A 38 -5.229 -10.578 -9.573 1.00 0.00 O ATOM 594 CB THR A 38 -3.169 -12.826 -8.211 1.00 0.00 C ATOM 595 OG1 THR A 38 -1.989 -13.582 -8.515 1.00 0.00 O ATOM 596 CG2 THR A 38 -4.397 -13.603 -8.663 1.00 0.00 C ATOM 0 H THR A 38 -1.439 -11.112 -7.649 1.00 0.00 H new ATOM 0 HA THR A 38 -2.950 -11.597 -9.963 1.00 0.00 H new ATOM 0 HB THR A 38 -3.242 -12.665 -7.135 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.284 -13.360 -7.872 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.419 -14.571 -8.163 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.296 -13.043 -8.408 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.356 -13.752 -9.742 1.00 0.00 H new ATOM 604 N ILE A 39 -4.561 -10.131 -7.476 1.00 0.00 N ATOM 605 CA ILE A 39 -5.751 -9.360 -7.149 1.00 0.00 C ATOM 606 C ILE A 39 -5.742 -8.035 -7.911 1.00 0.00 C ATOM 607 O ILE A 39 -6.788 -7.537 -8.338 1.00 0.00 O ATOM 608 CB ILE A 39 -5.851 -9.103 -5.628 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.797 -10.434 -4.867 1.00 0.00 C ATOM 610 CG2 ILE A 39 -7.134 -8.353 -5.295 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.847 -10.288 -3.360 1.00 0.00 C ATOM 0 H ILE A 39 -3.883 -10.203 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.624 -9.939 -7.449 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.006 -8.487 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.631 -11.058 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.882 -10.959 -5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.187 -8.181 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.142 -7.396 -5.816 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.994 -8.944 -5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.804 -11.274 -2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.998 -9.692 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.774 -9.793 -3.073 1.00 0.00 H new ATOM 623 N LEU A 40 -4.547 -7.484 -8.095 1.00 0.00 N ATOM 624 CA LEU A 40 -4.370 -6.263 -8.869 1.00 0.00 C ATOM 625 C LEU A 40 -4.743 -6.482 -10.335 1.00 0.00 C ATOM 626 O LEU A 40 -5.308 -5.601 -10.973 1.00 0.00 O ATOM 627 CB LEU A 40 -2.920 -5.779 -8.764 1.00 0.00 C ATOM 628 CG LEU A 40 -2.487 -5.300 -7.374 1.00 0.00 C ATOM 629 CD1 LEU A 40 -1.039 -4.833 -7.395 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.399 -4.187 -6.878 1.00 0.00 C ATOM 0 H LEU A 40 -3.682 -7.868 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.034 -5.502 -8.458 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.261 -6.590 -9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.775 -4.964 -9.473 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.568 -6.141 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.751 -4.497 -6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.395 -5.658 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.933 -4.009 -8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.073 -3.863 -5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.355 -3.345 -7.569 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.423 -4.555 -6.819 1.00 0.00 H new ATOM 642 N MET A 41 -4.431 -7.664 -10.857 1.00 0.00 N ATOM 643 CA MET A 41 -4.743 -8.008 -12.244 1.00 0.00 C ATOM 644 C MET A 41 -6.245 -8.013 -12.496 1.00 0.00 C ATOM 645 O MET A 41 -6.698 -7.727 -13.607 1.00 0.00 O ATOM 646 CB MET A 41 -4.165 -9.379 -12.599 1.00 0.00 C ATOM 647 CG MET A 41 -2.676 -9.367 -12.903 1.00 0.00 C ATOM 648 SD MET A 41 -1.983 -11.030 -13.044 1.00 0.00 S ATOM 649 CE MET A 41 -3.126 -11.787 -14.199 1.00 0.00 C ATOM 0 H MET A 41 -3.960 -8.405 -10.338 1.00 0.00 H new ATOM 0 HA MET A 41 -4.289 -7.245 -12.876 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.350 -10.064 -11.772 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.698 -9.773 -13.464 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.503 -8.825 -13.833 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.152 -8.825 -12.116 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.685 -12.699 -14.602 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.056 -12.030 -13.684 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.333 -11.093 -15.014 1.00 0.00 H new ATOM 659 N GLN A 42 -7.018 -8.308 -11.458 1.00 0.00 N ATOM 660 CA GLN A 42 -8.464 -8.440 -11.599 1.00 0.00 C ATOM 661 C GLN A 42 -9.143 -7.074 -11.703 1.00 0.00 C ATOM 662 O GLN A 42 -10.371 -6.976 -11.699 1.00 0.00 O ATOM 663 CB GLN A 42 -9.047 -9.229 -10.424 1.00 0.00 C ATOM 664 CG GLN A 42 -8.372 -10.577 -10.178 1.00 0.00 C ATOM 665 CD GLN A 42 -8.443 -11.530 -11.365 1.00 0.00 C ATOM 666 OE1 GLN A 42 -8.474 -11.116 -12.524 1.00 0.00 O ATOM 667 NE2 GLN A 42 -8.467 -12.822 -11.080 1.00 0.00 N ATOM 0 H GLN A 42 -6.670 -8.460 -10.511 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.657 -8.984 -12.524 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.967 -8.625 -9.520 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.109 -9.395 -10.604 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.326 -10.407 -9.923 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.837 -11.053 -9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.440 -13.130 -10.108 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.512 -13.509 -11.832 1.00 0.00 H new ATOM 676 N SER A 43 -8.344 -6.021 -11.800 1.00 0.00 N ATOM 677 CA SER A 43 -8.870 -4.682 -11.995 1.00 0.00 C ATOM 678 C SER A 43 -9.112 -4.427 -13.478 1.00 0.00 C ATOM 679 O SER A 43 -9.872 -3.534 -13.846 1.00 0.00 O ATOM 680 CB SER A 43 -7.890 -3.650 -11.441 1.00 0.00 C ATOM 681 OG SER A 43 -6.643 -3.727 -12.112 1.00 0.00 O ATOM 0 H SER A 43 -7.327 -6.071 -11.746 1.00 0.00 H new ATOM 0 HA SER A 43 -9.817 -4.593 -11.462 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.307 -2.649 -11.553 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.744 -3.817 -10.374 1.00 0.00 H new ATOM 0 HG SER A 43 -5.991 -4.181 -11.539 1.00 0.00 H new ATOM 687 N SER A 44 -8.456 -5.236 -14.318 1.00 0.00 N ATOM 688 CA SER A 44 -8.532 -5.098 -15.769 1.00 0.00 C ATOM 689 C SER A 44 -7.847 -3.804 -16.224 1.00 0.00 C ATOM 690 O SER A 44 -8.104 -3.298 -17.319 1.00 0.00 O ATOM 691 CB SER A 44 -9.995 -5.142 -16.239 1.00 0.00 C ATOM 692 OG SER A 44 -10.087 -5.168 -17.655 1.00 0.00 O ATOM 0 H SER A 44 -7.859 -6.003 -14.007 1.00 0.00 H new ATOM 0 HA SER A 44 -8.005 -5.936 -16.225 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.484 -6.024 -15.826 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.528 -4.272 -15.855 1.00 0.00 H new ATOM 0 HG SER A 44 -9.442 -4.536 -18.036 1.00 0.00 H new ATOM 698 N LEU A 45 -6.962 -3.284 -15.384 1.00 0.00 N ATOM 699 CA LEU A 45 -6.214 -2.079 -15.714 1.00 0.00 C ATOM 700 C LEU A 45 -4.943 -2.437 -16.483 1.00 0.00 C ATOM 701 O LEU A 45 -4.478 -3.580 -16.423 1.00 0.00 O ATOM 702 CB LEU A 45 -5.865 -1.306 -14.437 1.00 0.00 C ATOM 703 CG LEU A 45 -7.065 -0.804 -13.628 1.00 0.00 C ATOM 704 CD1 LEU A 45 -6.591 -0.047 -12.398 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.962 0.074 -14.490 1.00 0.00 C ATOM 0 H LEU A 45 -6.745 -3.678 -14.469 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.835 -1.445 -16.347 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.259 -1.948 -13.797 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.246 -0.450 -14.707 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.648 -1.664 -13.300 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.454 0.304 -11.832 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.991 -0.708 -11.772 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.987 0.807 -12.706 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.809 0.421 -13.898 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.394 0.932 -14.849 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.326 -0.502 -15.341 1.00 0.00 H new ATOM 717 N PRO A 46 -4.377 -1.475 -17.234 1.00 0.00 N ATOM 718 CA PRO A 46 -3.154 -1.695 -18.016 1.00 0.00 C ATOM 719 C PRO A 46 -1.943 -2.006 -17.139 1.00 0.00 C ATOM 720 O PRO A 46 -1.773 -1.427 -16.063 1.00 0.00 O ATOM 721 CB PRO A 46 -2.951 -0.370 -18.759 1.00 0.00 C ATOM 722 CG PRO A 46 -3.719 0.636 -17.976 1.00 0.00 C ATOM 723 CD PRO A 46 -4.888 -0.103 -17.392 1.00 0.00 C ATOM 0 HA PRO A 46 -3.252 -2.556 -18.677 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.895 -0.106 -18.812 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.315 -0.433 -19.784 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.102 1.074 -17.191 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.053 1.455 -18.613 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.197 0.323 -16.438 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.755 -0.070 -18.052 1.00 0.00 H new ATOM 731 N GLN A 47 -1.096 -2.908 -17.620 1.00 0.00 N ATOM 732 CA GLN A 47 0.087 -3.339 -16.881 1.00 0.00 C ATOM 733 C GLN A 47 1.020 -2.162 -16.602 1.00 0.00 C ATOM 734 O GLN A 47 1.663 -2.106 -15.554 1.00 0.00 O ATOM 735 CB GLN A 47 0.830 -4.429 -17.659 1.00 0.00 C ATOM 736 CG GLN A 47 2.063 -4.969 -16.943 1.00 0.00 C ATOM 737 CD GLN A 47 1.732 -5.662 -15.633 1.00 0.00 C ATOM 738 OE1 GLN A 47 0.651 -6.230 -15.469 1.00 0.00 O ATOM 739 NE2 GLN A 47 2.668 -5.637 -14.696 1.00 0.00 N ATOM 0 H GLN A 47 -1.208 -3.360 -18.528 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.241 -3.746 -15.925 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.145 -5.254 -17.853 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.130 -4.029 -18.628 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.579 -5.670 -17.599 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.753 -4.148 -16.749 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.551 -5.156 -14.870 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.506 -6.099 -13.801 1.00 0.00 H new ATOM 748 N ALA A 48 1.086 -1.225 -17.542 1.00 0.00 N ATOM 749 CA ALA A 48 1.892 -0.020 -17.370 1.00 0.00 C ATOM 750 C ALA A 48 1.502 0.713 -16.089 1.00 0.00 C ATOM 751 O ALA A 48 2.357 1.093 -15.289 1.00 0.00 O ATOM 752 CB ALA A 48 1.739 0.898 -18.574 1.00 0.00 C ATOM 0 H ALA A 48 0.591 -1.276 -18.432 1.00 0.00 H new ATOM 0 HA ALA A 48 2.938 -0.317 -17.290 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.346 1.792 -18.430 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.068 0.377 -19.473 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.693 1.184 -18.683 1.00 0.00 H new ATOM 758 N GLN A 49 0.203 0.884 -15.889 1.00 0.00 N ATOM 759 CA GLN A 49 -0.309 1.545 -14.697 1.00 0.00 C ATOM 760 C GLN A 49 -0.176 0.643 -13.477 1.00 0.00 C ATOM 761 O GLN A 49 0.132 1.114 -12.388 1.00 0.00 O ATOM 762 CB GLN A 49 -1.768 1.949 -14.906 1.00 0.00 C ATOM 763 CG GLN A 49 -1.936 3.103 -15.878 1.00 0.00 C ATOM 764 CD GLN A 49 -1.519 4.429 -15.278 1.00 0.00 C ATOM 765 OE1 GLN A 49 -0.353 4.818 -15.343 1.00 0.00 O ATOM 766 NE2 GLN A 49 -2.474 5.144 -14.706 1.00 0.00 N ATOM 0 H GLN A 49 -0.518 0.573 -16.540 1.00 0.00 H new ATOM 0 HA GLN A 49 0.283 2.443 -14.520 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.327 1.089 -15.273 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.203 2.225 -13.945 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.344 2.910 -16.773 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.978 3.161 -16.192 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.429 4.786 -14.673 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.256 6.053 -14.298 1.00 0.00 H new ATOM 775 N LEU A 50 -0.392 -0.654 -13.670 1.00 0.00 N ATOM 776 CA LEU A 50 -0.254 -1.625 -12.595 1.00 0.00 C ATOM 777 C LEU A 50 1.159 -1.598 -12.016 1.00 0.00 C ATOM 778 O LEU A 50 1.341 -1.544 -10.800 1.00 0.00 O ATOM 779 CB LEU A 50 -0.589 -3.026 -13.107 1.00 0.00 C ATOM 780 CG LEU A 50 -2.056 -3.256 -13.470 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.257 -4.676 -13.969 1.00 0.00 C ATOM 782 CD2 LEU A 50 -2.953 -2.980 -12.271 1.00 0.00 C ATOM 0 H LEU A 50 -0.665 -1.057 -14.567 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.953 -1.360 -11.801 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.022 -3.229 -13.987 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.302 -3.751 -12.346 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.329 -2.565 -14.268 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.306 -4.827 -14.224 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.641 -4.842 -14.853 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.968 -5.380 -13.189 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.993 -3.149 -12.548 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.683 -3.648 -11.453 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.826 -1.945 -11.952 1.00 0.00 H new ATOM 794 N ALA A 51 2.155 -1.616 -12.897 1.00 0.00 N ATOM 795 CA ALA A 51 3.552 -1.555 -12.482 1.00 0.00 C ATOM 796 C ALA A 51 3.865 -0.216 -11.821 1.00 0.00 C ATOM 797 O ALA A 51 4.640 -0.147 -10.866 1.00 0.00 O ATOM 798 CB ALA A 51 4.468 -1.786 -13.674 1.00 0.00 C ATOM 0 H ALA A 51 2.019 -1.673 -13.906 1.00 0.00 H new ATOM 0 HA ALA A 51 3.725 -2.344 -11.750 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.507 -1.738 -13.349 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.267 -2.768 -14.102 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.287 -1.018 -14.426 1.00 0.00 H new ATOM 804 N SER A 52 3.246 0.840 -12.333 1.00 0.00 N ATOM 805 CA SER A 52 3.414 2.176 -11.784 1.00 0.00 C ATOM 806 C SER A 52 2.844 2.252 -10.370 1.00 0.00 C ATOM 807 O SER A 52 3.510 2.723 -9.449 1.00 0.00 O ATOM 808 CB SER A 52 2.727 3.193 -12.696 1.00 0.00 C ATOM 809 OG SER A 52 3.311 3.185 -13.988 1.00 0.00 O ATOM 0 H SER A 52 2.618 0.794 -13.135 1.00 0.00 H new ATOM 0 HA SER A 52 4.478 2.407 -11.730 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.664 2.962 -12.771 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.807 4.190 -12.262 1.00 0.00 H new ATOM 0 HG SER A 52 3.214 2.294 -14.385 1.00 0.00 H new ATOM 815 N ILE A 53 1.620 1.762 -10.202 1.00 0.00 N ATOM 816 CA ILE A 53 0.969 1.741 -8.897 1.00 0.00 C ATOM 817 C ILE A 53 1.745 0.857 -7.924 1.00 0.00 C ATOM 818 O ILE A 53 1.887 1.191 -6.749 1.00 0.00 O ATOM 819 CB ILE A 53 -0.493 1.249 -9.012 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.318 2.242 -9.838 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.112 1.051 -7.636 1.00 0.00 C ATOM 822 CD1 ILE A 53 -2.748 1.805 -10.077 1.00 0.00 C ATOM 0 H ILE A 53 1.057 1.372 -10.958 1.00 0.00 H new ATOM 0 HA ILE A 53 0.958 2.761 -8.514 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.493 0.284 -9.519 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.324 3.206 -9.329 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.829 2.393 -10.801 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.140 0.705 -7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.537 0.310 -7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.103 1.997 -7.094 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.265 2.561 -10.668 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.754 0.857 -10.615 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.256 1.683 -9.120 1.00 0.00 H new ATOM 834 N TRP A 54 2.264 -0.259 -8.424 1.00 0.00 N ATOM 835 CA TRP A 54 3.080 -1.154 -7.610 1.00 0.00 C ATOM 836 C TRP A 54 4.311 -0.428 -7.088 1.00 0.00 C ATOM 837 O TRP A 54 4.596 -0.449 -5.890 1.00 0.00 O ATOM 838 CB TRP A 54 3.514 -2.379 -8.418 1.00 0.00 C ATOM 839 CG TRP A 54 4.390 -3.314 -7.638 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.753 -3.276 -7.544 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.964 -4.414 -6.829 1.00 0.00 C ATOM 842 NE1 TRP A 54 6.199 -4.285 -6.728 1.00 0.00 N ATOM 843 CE2 TRP A 54 5.120 -4.997 -6.274 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.718 -4.960 -6.518 1.00 0.00 C ATOM 845 CZ2 TRP A 54 5.062 -6.100 -5.427 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.663 -6.055 -5.678 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.829 -6.612 -5.140 1.00 0.00 C ATOM 0 H TRP A 54 2.135 -0.566 -9.388 1.00 0.00 H new ATOM 0 HA TRP A 54 2.474 -1.483 -6.766 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.628 -2.917 -8.756 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.047 -2.049 -9.310 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.387 -2.556 -8.040 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.174 -4.474 -6.497 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.813 -4.534 -6.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.959 -6.535 -5.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.705 -6.488 -5.432 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.752 -7.466 -4.483 1.00 0.00 H new ATOM 858 N ASN A 55 5.030 0.215 -8.000 1.00 0.00 N ATOM 859 CA ASN A 55 6.253 0.934 -7.658 1.00 0.00 C ATOM 860 C ASN A 55 5.958 2.045 -6.649 1.00 0.00 C ATOM 861 O ASN A 55 6.767 2.337 -5.769 1.00 0.00 O ATOM 862 CB ASN A 55 6.888 1.518 -8.927 1.00 0.00 C ATOM 863 CG ASN A 55 8.198 2.238 -8.663 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.923 1.916 -7.725 1.00 0.00 O ATOM 865 ND2 ASN A 55 8.521 3.205 -9.507 1.00 0.00 N ATOM 0 H ASN A 55 4.785 0.254 -8.989 1.00 0.00 H new ATOM 0 HA ASN A 55 6.954 0.236 -7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.061 0.714 -9.642 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.186 2.212 -9.390 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.399 3.712 -9.390 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.892 3.443 -10.274 1.00 0.00 H new ATOM 872 N LEU A 56 4.785 2.651 -6.782 1.00 0.00 N ATOM 873 CA LEU A 56 4.350 3.700 -5.869 1.00 0.00 C ATOM 874 C LEU A 56 3.964 3.127 -4.507 1.00 0.00 C ATOM 875 O LEU A 56 4.264 3.721 -3.472 1.00 0.00 O ATOM 876 CB LEU A 56 3.166 4.467 -6.470 1.00 0.00 C ATOM 877 CG LEU A 56 3.496 5.330 -7.690 1.00 0.00 C ATOM 878 CD1 LEU A 56 2.232 5.975 -8.237 1.00 0.00 C ATOM 879 CD2 LEU A 56 4.520 6.397 -7.330 1.00 0.00 C ATOM 0 H LEU A 56 4.114 2.432 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 56 5.186 4.384 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.395 3.750 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.740 5.107 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 56 3.924 4.688 -8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.481 6.586 -9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.525 5.199 -8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.782 6.603 -7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.742 7.000 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.118 7.036 -6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.434 5.920 -6.978 1.00 0.00 H new ATOM 891 N SER A 57 3.308 1.974 -4.519 1.00 0.00 N ATOM 892 CA SER A 57 2.807 1.356 -3.298 1.00 0.00 C ATOM 893 C SER A 57 3.944 0.789 -2.452 1.00 0.00 C ATOM 894 O SER A 57 4.143 1.229 -1.326 1.00 0.00 O ATOM 895 CB SER A 57 1.800 0.255 -3.643 1.00 0.00 C ATOM 896 OG SER A 57 1.174 -0.266 -2.481 1.00 0.00 O ATOM 0 H SER A 57 3.109 1.444 -5.368 1.00 0.00 H new ATOM 0 HA SER A 57 2.309 2.126 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.042 0.653 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.308 -0.550 -4.174 1.00 0.00 H new ATOM 0 HG SER A 57 1.081 -1.238 -2.568 1.00 0.00 H new ATOM 902 N ASP A 58 4.689 -0.173 -2.998 1.00 0.00 N ATOM 903 CA ASP A 58 5.756 -0.831 -2.240 1.00 0.00 C ATOM 904 C ASP A 58 6.834 0.189 -1.877 1.00 0.00 C ATOM 905 O ASP A 58 7.627 0.610 -2.727 1.00 0.00 O ATOM 906 CB ASP A 58 6.360 -1.992 -3.044 1.00 0.00 C ATOM 907 CG ASP A 58 7.203 -2.931 -2.193 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.924 -2.452 -1.297 1.00 0.00 O ATOM 909 OD2 ASP A 58 7.167 -4.157 -2.440 1.00 0.00 O ATOM 0 H ASP A 58 4.576 -0.512 -3.953 1.00 0.00 H new ATOM 0 HA ASP A 58 5.333 -1.243 -1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.556 -2.559 -3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.976 -1.588 -3.848 1.00 0.00 H new ATOM 914 N ILE A 59 6.847 0.587 -0.615 1.00 0.00 N ATOM 915 CA ILE A 59 7.655 1.711 -0.162 1.00 0.00 C ATOM 916 C ILE A 59 9.151 1.388 -0.126 1.00 0.00 C ATOM 917 O ILE A 59 9.987 2.278 -0.310 1.00 0.00 O ATOM 918 CB ILE A 59 7.178 2.192 1.225 1.00 0.00 C ATOM 919 CG1 ILE A 59 5.699 2.584 1.148 1.00 0.00 C ATOM 920 CG2 ILE A 59 8.017 3.365 1.719 1.00 0.00 C ATOM 921 CD1 ILE A 59 5.085 2.974 2.477 1.00 0.00 C ATOM 0 H ILE A 59 6.300 0.143 0.123 1.00 0.00 H new ATOM 0 HA ILE A 59 7.520 2.511 -0.890 1.00 0.00 H new ATOM 0 HB ILE A 59 7.299 1.377 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.592 3.417 0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.135 1.749 0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.658 3.682 2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.060 3.059 1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.934 4.194 1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.037 3.236 2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.156 2.136 3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.620 3.831 2.887 1.00 0.00 H new ATOM 933 N ASP A 60 9.505 0.127 0.088 1.00 0.00 N ATOM 934 CA ASP A 60 10.917 -0.241 0.167 1.00 0.00 C ATOM 935 C ASP A 60 11.282 -1.220 -0.940 1.00 0.00 C ATOM 936 O ASP A 60 12.393 -1.750 -0.971 1.00 0.00 O ATOM 937 CB ASP A 60 11.272 -0.825 1.545 1.00 0.00 C ATOM 938 CG ASP A 60 10.731 -2.225 1.776 1.00 0.00 C ATOM 939 OD1 ASP A 60 9.542 -2.357 2.127 1.00 0.00 O ATOM 940 OD2 ASP A 60 11.510 -3.193 1.648 1.00 0.00 O ATOM 0 H ASP A 60 8.850 -0.646 0.208 1.00 0.00 H new ATOM 0 HA ASP A 60 11.502 0.669 0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.356 -0.842 1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.885 -0.164 2.320 1.00 0.00 H new ATOM 945 N GLN A 61 10.347 -1.404 -1.870 1.00 0.00 N ATOM 946 CA GLN A 61 10.500 -2.332 -2.983 1.00 0.00 C ATOM 947 C GLN A 61 10.962 -3.708 -2.514 1.00 0.00 C ATOM 948 O GLN A 61 12.060 -4.163 -2.850 1.00 0.00 O ATOM 949 CB GLN A 61 11.452 -1.742 -4.008 1.00 0.00 C ATOM 950 CG GLN A 61 10.920 -0.460 -4.614 1.00 0.00 C ATOM 951 CD GLN A 61 9.830 -0.703 -5.644 1.00 0.00 C ATOM 952 OE1 GLN A 61 8.579 -0.655 -5.217 1.00 0.00 O flip ATOM 953 NE2 GLN A 61 10.114 -0.910 -6.823 1.00 0.00 N flip ATOM 0 H GLN A 61 9.456 -0.908 -1.870 1.00 0.00 H new ATOM 0 HA GLN A 61 9.526 -2.478 -3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.415 -1.546 -3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 61 11.627 -2.470 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.528 0.176 -3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.741 0.083 -5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.091 -0.940 -7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.372 -1.052 -7.509 1.00 0.00 H new ATOM 962 N ASP A 62 10.125 -4.360 -1.724 1.00 0.00 N ATOM 963 CA ASP A 62 10.446 -5.680 -1.202 1.00 0.00 C ATOM 964 C ASP A 62 9.826 -6.761 -2.069 1.00 0.00 C ATOM 965 O ASP A 62 10.469 -7.767 -2.387 1.00 0.00 O ATOM 966 CB ASP A 62 9.949 -5.838 0.235 1.00 0.00 C ATOM 967 CG ASP A 62 10.428 -7.131 0.868 1.00 0.00 C ATOM 968 OD1 ASP A 62 9.766 -8.174 0.690 1.00 0.00 O ATOM 969 OD2 ASP A 62 11.482 -7.108 1.542 1.00 0.00 O ATOM 0 H ASP A 62 9.218 -3.998 -1.430 1.00 0.00 H new ATOM 0 HA ASP A 62 11.531 -5.784 -1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.294 -4.994 0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.859 -5.812 0.246 1.00 0.00 H new ATOM 974 N GLY A 63 8.587 -6.533 -2.474 1.00 0.00 N ATOM 975 CA GLY A 63 7.854 -7.539 -3.204 1.00 0.00 C ATOM 976 C GLY A 63 6.794 -8.194 -2.347 1.00 0.00 C ATOM 977 O GLY A 63 6.361 -9.314 -2.627 1.00 0.00 O ATOM 0 H GLY A 63 8.076 -5.666 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.386 -7.085 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.545 -8.298 -3.571 1.00 0.00 H new ATOM 981 N LYS A 64 6.393 -7.505 -1.288 1.00 0.00 N ATOM 982 CA LYS A 64 5.334 -7.986 -0.412 1.00 0.00 C ATOM 983 C LYS A 64 4.422 -6.836 -0.019 1.00 0.00 C ATOM 984 O LYS A 64 4.888 -5.789 0.420 1.00 0.00 O ATOM 985 CB LYS A 64 5.898 -8.623 0.864 1.00 0.00 C ATOM 986 CG LYS A 64 6.936 -9.706 0.629 1.00 0.00 C ATOM 987 CD LYS A 64 7.248 -10.458 1.912 1.00 0.00 C ATOM 988 CE LYS A 64 8.477 -11.334 1.751 1.00 0.00 C ATOM 989 NZ LYS A 64 9.729 -10.532 1.734 1.00 0.00 N ATOM 0 H LYS A 64 6.788 -6.606 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 64 4.776 -8.743 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.343 -7.840 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.073 -9.048 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.572 -10.404 -0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.849 -9.259 0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.409 -9.748 2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.394 -11.074 2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.519 -12.055 2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.398 -11.904 0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.337 -10.854 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.496 -9.527 1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.231 -10.652 2.637 1.00 0.00 H new ATOM 1003 N LEU A 65 3.127 -7.038 -0.166 1.00 0.00 N ATOM 1004 CA LEU A 65 2.156 -6.029 0.211 1.00 0.00 C ATOM 1005 C LEU A 65 1.396 -6.477 1.452 1.00 0.00 C ATOM 1006 O LEU A 65 0.683 -7.480 1.422 1.00 0.00 O ATOM 1007 CB LEU A 65 1.181 -5.758 -0.942 1.00 0.00 C ATOM 1008 CG LEU A 65 1.791 -5.083 -2.177 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.692 -4.606 -3.112 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.687 -3.920 -1.778 1.00 0.00 C ATOM 0 H LEU A 65 2.722 -7.894 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 65 2.686 -5.103 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.737 -6.705 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.371 -5.131 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 65 2.404 -5.819 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.138 -4.129 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.091 -5.457 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.057 -3.889 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.106 -3.460 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.102 -3.181 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.496 -4.284 -1.145 1.00 0.00 H new ATOM 1022 N THR A 66 1.570 -5.753 2.550 1.00 0.00 N ATOM 1023 CA THR A 66 0.846 -6.052 3.777 1.00 0.00 C ATOM 1024 C THR A 66 -0.591 -5.567 3.652 1.00 0.00 C ATOM 1025 O THR A 66 -1.021 -5.172 2.568 1.00 0.00 O ATOM 1026 CB THR A 66 1.509 -5.386 4.999 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.493 -3.960 4.850 1.00 0.00 O ATOM 1028 CG2 THR A 66 2.944 -5.864 5.164 1.00 0.00 C ATOM 0 H THR A 66 2.204 -4.957 2.616 1.00 0.00 H new ATOM 0 HA THR A 66 0.865 -7.132 3.926 1.00 0.00 H new ATOM 0 HB THR A 66 0.943 -5.666 5.888 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.991 -3.559 5.590 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.391 -5.380 6.033 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.954 -6.945 5.305 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.517 -5.610 4.272 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.335 -5.588 4.745 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.704 -5.107 4.717 1.00 0.00 C ATOM 1038 C ALA A 67 -2.735 -3.618 4.419 1.00 0.00 C ATOM 1039 O ALA A 67 -3.557 -3.150 3.637 1.00 0.00 O ATOM 1040 CB ALA A 67 -3.409 -5.405 6.028 1.00 0.00 C ATOM 0 H ALA A 67 -1.018 -5.929 5.653 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.235 -5.631 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.433 -5.035 5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.419 -6.481 6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.881 -4.913 6.845 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.812 -2.891 5.027 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.706 -1.454 4.837 1.00 0.00 C ATOM 1048 C GLU A 68 -1.349 -1.141 3.389 1.00 0.00 C ATOM 1049 O GLU A 68 -1.958 -0.278 2.756 1.00 0.00 O ATOM 1050 CB GLU A 68 -0.635 -0.869 5.766 1.00 0.00 C ATOM 1051 CG GLU A 68 -0.900 -1.069 7.256 1.00 0.00 C ATOM 1052 CD GLU A 68 -0.886 -2.527 7.679 1.00 0.00 C ATOM 1053 OE1 GLU A 68 -0.065 -3.303 7.135 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -1.715 -2.911 8.529 1.00 0.00 O ATOM 0 H GLU A 68 -1.117 -3.279 5.665 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.669 -1.004 5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.326 -1.320 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.546 0.199 5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.148 -0.525 7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.868 -0.634 7.507 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.383 -1.883 2.862 1.00 0.00 N ATOM 1062 CA GLU A 69 0.123 -1.637 1.517 1.00 0.00 C ATOM 1063 C GLU A 69 -0.933 -2.012 0.485 1.00 0.00 C ATOM 1064 O GLU A 69 -1.085 -1.353 -0.544 1.00 0.00 O ATOM 1065 CB GLU A 69 1.405 -2.443 1.278 1.00 0.00 C ATOM 1066 CG GLU A 69 2.539 -2.112 2.239 1.00 0.00 C ATOM 1067 CD GLU A 69 3.076 -0.706 2.049 1.00 0.00 C ATOM 1068 OE1 GLU A 69 2.393 0.249 2.474 1.00 0.00 O ATOM 1069 OE2 GLU A 69 4.175 -0.560 1.473 1.00 0.00 O ATOM 0 H GLU A 69 0.066 -2.661 3.346 1.00 0.00 H new ATOM 0 HA GLU A 69 0.353 -0.576 1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.173 -3.505 1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.746 -2.268 0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.186 -2.226 3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.349 -2.828 2.099 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.676 -3.068 0.781 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.731 -3.529 -0.103 1.00 0.00 C ATOM 1078 C PHE A 70 -3.853 -2.496 -0.190 1.00 0.00 C ATOM 1079 O PHE A 70 -4.347 -2.200 -1.281 1.00 0.00 O ATOM 1080 CB PHE A 70 -3.279 -4.870 0.383 1.00 0.00 C ATOM 1081 CG PHE A 70 -4.304 -5.469 -0.531 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -5.626 -5.081 -0.444 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -3.947 -6.419 -1.473 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -6.575 -5.624 -1.276 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -4.895 -6.973 -2.311 1.00 0.00 C ATOM 1086 CZ PHE A 70 -6.213 -6.575 -2.211 1.00 0.00 C ATOM 0 H PHE A 70 -1.566 -3.622 1.630 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.311 -3.662 -1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.452 -5.571 0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.720 -4.736 1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.918 -4.342 0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.916 -6.730 -1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.605 -5.307 -1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.606 -7.714 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.959 -7.006 -2.862 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.254 -1.954 0.959 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.286 -0.923 1.001 1.00 0.00 C ATOM 1098 C ILE A 71 -4.853 0.286 0.177 1.00 0.00 C ATOM 1099 O ILE A 71 -5.648 0.865 -0.568 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.594 -0.477 2.453 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -6.162 -1.648 3.260 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.572 0.690 2.462 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.406 -1.329 4.721 1.00 0.00 C ATOM 0 H ILE A 71 -3.879 -2.212 1.872 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.195 -1.352 0.579 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.663 -0.150 2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.101 -1.967 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.473 -2.490 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.774 0.987 3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.140 1.531 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.503 0.388 1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.808 -2.209 5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.467 -1.040 5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.119 -0.508 4.800 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.580 0.645 0.313 1.00 0.00 N ATOM 1116 CA LEU A 72 -2.990 1.722 -0.469 1.00 0.00 C ATOM 1117 C LEU A 72 -3.088 1.419 -1.962 1.00 0.00 C ATOM 1118 O LEU A 72 -3.596 2.232 -2.738 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.525 1.924 -0.064 1.00 0.00 C ATOM 1120 CG LEU A 72 -0.742 2.932 -0.906 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.367 4.315 -0.808 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.713 2.964 -0.465 1.00 0.00 C ATOM 0 H LEU A 72 -2.934 0.200 0.964 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.543 2.640 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.495 2.246 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.016 0.961 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.781 2.619 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.794 5.017 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.394 4.277 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.361 4.644 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.261 3.685 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.769 3.255 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.153 1.975 -0.591 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.619 0.237 -2.347 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.601 -0.174 -3.745 1.00 0.00 C ATOM 1136 C ALA A 73 -3.998 -0.172 -4.364 1.00 0.00 C ATOM 1137 O ALA A 73 -4.220 0.466 -5.392 1.00 0.00 O ATOM 1138 CB ALA A 73 -1.959 -1.550 -3.880 1.00 0.00 C ATOM 0 H ALA A 73 -2.243 -0.459 -1.703 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.005 0.556 -4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.951 -1.847 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.936 -1.512 -3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.530 -2.276 -3.302 1.00 0.00 H new ATOM 1144 N MET A 74 -4.945 -0.864 -3.738 1.00 0.00 N ATOM 1145 CA MET A 74 -6.296 -0.946 -4.291 1.00 0.00 C ATOM 1146 C MET A 74 -6.977 0.413 -4.307 1.00 0.00 C ATOM 1147 O MET A 74 -7.815 0.680 -5.168 1.00 0.00 O ATOM 1148 CB MET A 74 -7.167 -1.944 -3.533 1.00 0.00 C ATOM 1149 CG MET A 74 -7.022 -3.372 -4.026 1.00 0.00 C ATOM 1150 SD MET A 74 -8.468 -4.382 -3.648 1.00 0.00 S ATOM 1151 CE MET A 74 -9.733 -3.545 -4.601 1.00 0.00 C ATOM 0 H MET A 74 -4.808 -1.369 -2.862 1.00 0.00 H new ATOM 0 HA MET A 74 -6.184 -1.297 -5.317 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.911 -1.906 -2.474 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.211 -1.642 -3.620 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.858 -3.366 -5.104 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.139 -3.822 -3.572 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.389 -4.283 -5.062 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.317 -2.901 -3.944 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.264 -2.941 -5.378 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.621 1.276 -3.364 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.178 2.619 -3.338 1.00 0.00 C ATOM 1163 C HIS A 75 -6.686 3.409 -4.547 1.00 0.00 C ATOM 1164 O HIS A 75 -7.413 4.234 -5.097 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.819 3.340 -2.034 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.413 4.711 -1.922 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -8.750 4.940 -1.684 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -6.840 5.932 -2.031 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -8.972 6.240 -1.655 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -7.830 6.867 -1.865 1.00 0.00 N ATOM 0 H HIS A 75 -5.957 1.072 -2.617 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.264 2.544 -3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.156 2.737 -1.191 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.734 3.416 -1.958 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -9.458 4.218 -1.551 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.795 6.133 -2.215 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.929 6.712 -1.487 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.451 3.146 -4.960 1.00 0.00 N ATOM 1180 CA LEU A 76 -4.900 3.762 -6.162 1.00 0.00 C ATOM 1181 C LEU A 76 -5.591 3.204 -7.406 1.00 0.00 C ATOM 1182 O LEU A 76 -5.846 3.933 -8.367 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.388 3.538 -6.238 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.578 4.194 -5.116 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.099 3.865 -5.257 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.788 5.702 -5.114 1.00 0.00 C ATOM 0 H LEU A 76 -4.813 2.511 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.082 4.836 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.194 2.465 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.028 3.917 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.930 3.795 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.542 4.341 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.960 2.785 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.734 4.233 -6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.204 6.150 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.466 6.115 -6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.845 5.922 -4.961 1.00 0.00 H new ATOM 1198 N ILE A 77 -5.901 1.909 -7.374 1.00 0.00 N ATOM 1199 CA ILE A 77 -6.699 1.283 -8.429 1.00 0.00 C ATOM 1200 C ILE A 77 -8.068 1.958 -8.524 1.00 0.00 C ATOM 1201 O ILE A 77 -8.572 2.207 -9.619 1.00 0.00 O ATOM 1202 CB ILE A 77 -6.873 -0.249 -8.193 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.721 -1.041 -8.824 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.202 -0.754 -8.743 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -4.377 -0.815 -8.173 1.00 0.00 C ATOM 0 H ILE A 77 -5.613 1.273 -6.631 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.163 1.414 -9.369 1.00 0.00 H new ATOM 0 HB ILE A 77 -6.862 -0.406 -7.114 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.959 -2.104 -8.778 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.649 -0.776 -9.879 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.288 -1.825 -8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.022 -0.234 -8.247 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.248 -0.564 -9.815 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.621 -1.413 -8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.112 0.240 -8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.427 -1.108 -7.124 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.655 2.265 -7.370 1.00 0.00 N ATOM 1218 CA ASP A 78 -9.950 2.938 -7.316 1.00 0.00 C ATOM 1219 C ASP A 78 -9.864 4.321 -7.954 1.00 0.00 C ATOM 1220 O ASP A 78 -10.772 4.741 -8.666 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.426 3.060 -5.867 1.00 0.00 C ATOM 1222 CG ASP A 78 -11.775 3.751 -5.747 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.817 3.069 -5.877 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -11.801 4.979 -5.504 1.00 0.00 O ATOM 0 H ASP A 78 -8.252 2.057 -6.456 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.669 2.340 -7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.492 2.065 -5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.686 3.616 -5.292 1.00 0.00 H new ATOM 1229 N VAL A 79 -8.760 5.020 -7.703 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.523 6.324 -8.312 1.00 0.00 C ATOM 1231 C VAL A 79 -8.468 6.196 -9.836 1.00 0.00 C ATOM 1232 O VAL A 79 -9.073 6.991 -10.560 1.00 0.00 O ATOM 1233 CB VAL A 79 -7.214 6.966 -7.791 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -6.955 8.305 -8.464 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -7.269 7.139 -6.282 1.00 0.00 C ATOM 0 H VAL A 79 -8.015 4.704 -7.081 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.353 6.974 -8.033 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.391 6.295 -8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.029 8.733 -8.079 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.867 8.160 -9.541 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.782 8.983 -8.255 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.341 7.592 -5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.108 7.784 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.398 6.166 -5.809 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.763 5.172 -10.313 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.666 4.902 -11.742 1.00 0.00 C ATOM 1247 C ALA A 80 -9.031 4.516 -12.316 1.00 0.00 C ATOM 1248 O ALA A 80 -9.379 4.898 -13.433 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.645 3.806 -12.004 1.00 0.00 C ATOM 0 H ALA A 80 -7.249 4.514 -9.726 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.334 5.812 -12.242 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.583 3.615 -13.075 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.669 4.122 -11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.950 2.894 -11.490 1.00 0.00 H new ATOM 1255 N MET A 81 -9.797 3.751 -11.541 1.00 0.00 N ATOM 1256 CA MET A 81 -11.167 3.395 -11.910 1.00 0.00 C ATOM 1257 C MET A 81 -12.041 4.638 -11.994 1.00 0.00 C ATOM 1258 O MET A 81 -12.851 4.781 -12.910 1.00 0.00 O ATOM 1259 CB MET A 81 -11.762 2.413 -10.895 1.00 0.00 C ATOM 1260 CG MET A 81 -11.402 0.962 -11.161 1.00 0.00 C ATOM 1261 SD MET A 81 -12.066 0.364 -12.725 1.00 0.00 S ATOM 1262 CE MET A 81 -11.652 -1.374 -12.619 1.00 0.00 C ATOM 0 H MET A 81 -9.491 3.364 -10.649 1.00 0.00 H new ATOM 0 HA MET A 81 -11.137 2.917 -12.889 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.420 2.685 -9.897 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.847 2.515 -10.899 1.00 0.00 H new ATOM 0 HG2 MET A 81 -10.317 0.855 -11.165 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.780 0.342 -10.348 1.00 0.00 H new ATOM 0 HE1 MET A 81 -11.950 -1.876 -13.539 1.00 0.00 H new ATOM 0 HE2 MET A 81 -10.577 -1.484 -12.478 1.00 0.00 H new ATOM 0 HE3 MET A 81 -12.176 -1.822 -11.775 1.00 0.00 H new ATOM 1272 N SER A 82 -11.852 5.538 -11.039 1.00 0.00 N ATOM 1273 CA SER A 82 -12.604 6.783 -10.974 1.00 0.00 C ATOM 1274 C SER A 82 -12.218 7.707 -12.134 1.00 0.00 C ATOM 1275 O SER A 82 -12.891 8.706 -12.404 1.00 0.00 O ATOM 1276 CB SER A 82 -12.337 7.470 -9.626 1.00 0.00 C ATOM 1277 OG SER A 82 -13.203 8.575 -9.411 1.00 0.00 O ATOM 0 H SER A 82 -11.172 5.425 -10.287 1.00 0.00 H new ATOM 0 HA SER A 82 -13.668 6.563 -11.060 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.464 6.748 -8.820 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.302 7.809 -9.591 1.00 0.00 H new ATOM 0 HG SER A 82 -13.394 9.012 -10.267 1.00 0.00 H new ATOM 1283 N GLY A 83 -11.127 7.369 -12.817 1.00 0.00 N ATOM 1284 CA GLY A 83 -10.679 8.160 -13.945 1.00 0.00 C ATOM 1285 C GLY A 83 -9.947 9.408 -13.508 1.00 0.00 C ATOM 1286 O GLY A 83 -9.920 10.405 -14.230 1.00 0.00 O ATOM 0 H GLY A 83 -10.545 6.558 -12.606 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.023 7.557 -14.573 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.538 8.439 -14.556 1.00 0.00 H new ATOM 1290 N GLN A 84 -9.363 9.357 -12.320 1.00 0.00 N ATOM 1291 CA GLN A 84 -8.628 10.482 -11.783 1.00 0.00 C ATOM 1292 C GLN A 84 -7.131 10.257 -11.958 1.00 0.00 C ATOM 1293 O GLN A 84 -6.658 9.121 -11.887 1.00 0.00 O ATOM 1294 CB GLN A 84 -8.987 10.678 -10.310 1.00 0.00 C ATOM 1295 CG GLN A 84 -10.465 10.962 -10.090 1.00 0.00 C ATOM 1296 CD GLN A 84 -10.822 11.194 -8.635 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -10.177 10.667 -7.728 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -11.865 11.977 -8.404 1.00 0.00 N ATOM 0 H GLN A 84 -9.387 8.540 -11.709 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.900 11.387 -12.326 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.708 9.784 -9.752 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.400 11.503 -9.906 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.749 11.839 -10.671 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.049 10.124 -10.471 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.372 12.394 -9.184 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.161 12.163 -7.446 1.00 0.00 H new ATOM 1307 N PRO A 85 -6.374 11.334 -12.220 1.00 0.00 N ATOM 1308 CA PRO A 85 -4.934 11.250 -12.473 1.00 0.00 C ATOM 1309 C PRO A 85 -4.143 10.813 -11.242 1.00 0.00 C ATOM 1310 O PRO A 85 -4.408 11.264 -10.127 1.00 0.00 O ATOM 1311 CB PRO A 85 -4.546 12.682 -12.872 1.00 0.00 C ATOM 1312 CG PRO A 85 -5.832 13.379 -13.164 1.00 0.00 C ATOM 1313 CD PRO A 85 -6.860 12.720 -12.294 1.00 0.00 C ATOM 0 HA PRO A 85 -4.708 10.504 -13.235 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.004 13.180 -12.068 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.893 12.683 -13.745 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -5.758 14.444 -12.944 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.095 13.289 -14.218 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.915 13.184 -11.309 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.857 12.777 -12.730 1.00 0.00 H new ATOM 1321 N LEU A 86 -3.177 9.930 -11.457 1.00 0.00 N ATOM 1322 CA LEU A 86 -2.295 9.481 -10.390 1.00 0.00 C ATOM 1323 C LEU A 86 -1.154 10.475 -10.211 1.00 0.00 C ATOM 1324 O LEU A 86 -0.707 11.093 -11.177 1.00 0.00 O ATOM 1325 CB LEU A 86 -1.730 8.092 -10.708 1.00 0.00 C ATOM 1326 CG LEU A 86 -2.770 6.979 -10.866 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -2.093 5.669 -11.240 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -3.575 6.815 -9.584 1.00 0.00 C ATOM 0 H LEU A 86 -2.984 9.509 -12.366 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.869 9.420 -9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.150 8.157 -11.628 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.038 7.810 -9.914 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.453 7.257 -11.669 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.846 4.888 -11.348 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.559 5.791 -12.182 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.388 5.387 -10.458 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.309 6.020 -9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.905 6.559 -8.764 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.088 7.749 -9.355 1.00 0.00 H new ATOM 1340 N PRO A 87 -0.686 10.664 -8.972 1.00 0.00 N ATOM 1341 CA PRO A 87 0.435 11.558 -8.693 1.00 0.00 C ATOM 1342 C PRO A 87 1.778 10.929 -9.068 1.00 0.00 C ATOM 1343 O PRO A 87 1.914 9.704 -9.090 1.00 0.00 O ATOM 1344 CB PRO A 87 0.347 11.767 -7.180 1.00 0.00 C ATOM 1345 CG PRO A 87 -0.304 10.532 -6.658 1.00 0.00 C ATOM 1346 CD PRO A 87 -1.217 10.034 -7.748 1.00 0.00 C ATOM 0 HA PRO A 87 0.380 12.482 -9.269 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.336 11.907 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.238 12.654 -6.937 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.442 9.779 -6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.866 10.745 -5.749 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.199 8.946 -7.818 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.252 10.324 -7.566 1.00 0.00 H new ATOM 1354 N PRO A 88 2.788 11.760 -9.371 1.00 0.00 N ATOM 1355 CA PRO A 88 4.131 11.277 -9.703 1.00 0.00 C ATOM 1356 C PRO A 88 4.858 10.744 -8.471 1.00 0.00 C ATOM 1357 O PRO A 88 5.732 9.878 -8.567 1.00 0.00 O ATOM 1358 CB PRO A 88 4.833 12.520 -10.255 1.00 0.00 C ATOM 1359 CG PRO A 88 4.118 13.673 -9.637 1.00 0.00 C ATOM 1360 CD PRO A 88 2.695 13.230 -9.428 1.00 0.00 C ATOM 0 HA PRO A 88 4.112 10.446 -10.408 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.891 12.525 -9.993 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.774 12.556 -11.343 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.580 13.954 -8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.161 14.549 -10.285 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.280 13.640 -8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.050 13.559 -10.243 1.00 0.00 H new ATOM 1368 N VAL A 89 4.488 11.273 -7.312 1.00 0.00 N ATOM 1369 CA VAL A 89 5.038 10.826 -6.044 1.00 0.00 C ATOM 1370 C VAL A 89 3.891 10.604 -5.071 1.00 0.00 C ATOM 1371 O VAL A 89 2.863 11.276 -5.159 1.00 0.00 O ATOM 1372 CB VAL A 89 6.019 11.855 -5.432 1.00 0.00 C ATOM 1373 CG1 VAL A 89 6.824 11.235 -4.295 1.00 0.00 C ATOM 1374 CG2 VAL A 89 6.952 12.432 -6.486 1.00 0.00 C ATOM 0 H VAL A 89 3.800 12.021 -7.227 1.00 0.00 H new ATOM 0 HA VAL A 89 5.594 9.906 -6.225 1.00 0.00 H new ATOM 0 HB VAL A 89 5.420 12.671 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.505 11.980 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.146 10.892 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.397 10.389 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.627 13.151 -6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.533 11.628 -6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.365 12.932 -7.257 1.00 0.00 H new ATOM 1384 N LEU A 90 4.063 9.677 -4.149 1.00 0.00 N ATOM 1385 CA LEU A 90 3.016 9.372 -3.191 1.00 0.00 C ATOM 1386 C LEU A 90 3.061 10.391 -2.054 1.00 0.00 C ATOM 1387 O LEU A 90 4.143 10.803 -1.626 1.00 0.00 O ATOM 1388 CB LEU A 90 3.209 7.949 -2.649 1.00 0.00 C ATOM 1389 CG LEU A 90 2.018 7.361 -1.888 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.853 7.099 -2.831 1.00 0.00 C ATOM 1391 CD2 LEU A 90 2.429 6.083 -1.176 1.00 0.00 C ATOM 0 H LEU A 90 4.913 9.124 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 90 2.042 9.427 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.443 7.290 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.076 7.946 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 90 1.692 8.085 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.017 6.681 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.545 8.035 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.161 6.393 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.573 5.675 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.779 5.355 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.230 6.301 -0.470 1.00 0.00 H new ATOM 1403 N PRO A 91 1.896 10.827 -1.557 1.00 0.00 N ATOM 1404 CA PRO A 91 1.827 11.751 -0.435 1.00 0.00 C ATOM 1405 C PRO A 91 1.810 11.026 0.908 1.00 0.00 C ATOM 1406 O PRO A 91 1.339 9.890 1.003 1.00 0.00 O ATOM 1407 CB PRO A 91 0.497 12.462 -0.678 1.00 0.00 C ATOM 1408 CG PRO A 91 -0.367 11.446 -1.350 1.00 0.00 C ATOM 1409 CD PRO A 91 0.556 10.497 -2.079 1.00 0.00 C ATOM 0 HA PRO A 91 2.689 12.417 -0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.053 12.800 0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.630 13.344 -1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -0.973 10.910 -0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -1.056 11.925 -2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 91 0.296 9.457 -1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.502 10.639 -3.158 1.00 0.00 H new ATOM 1417 N PRO A 92 2.297 11.684 1.975 1.00 0.00 N ATOM 1418 CA PRO A 92 2.307 11.115 3.332 1.00 0.00 C ATOM 1419 C PRO A 92 0.898 10.829 3.833 1.00 0.00 C ATOM 1420 O PRO A 92 0.701 10.070 4.781 1.00 0.00 O ATOM 1421 CB PRO A 92 2.968 12.205 4.183 1.00 0.00 C ATOM 1422 CG PRO A 92 3.706 13.057 3.209 1.00 0.00 C ATOM 1423 CD PRO A 92 2.896 13.027 1.947 1.00 0.00 C ATOM 0 HA PRO A 92 2.832 10.161 3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.224 12.784 4.730 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.643 11.774 4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.812 14.076 3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.712 12.674 3.038 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.136 13.808 1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.518 13.174 1.064 1.00 0.00 H new ATOM 1431 N GLU A 93 -0.074 11.436 3.166 1.00 0.00 N ATOM 1432 CA GLU A 93 -1.480 11.234 3.478 1.00 0.00 C ATOM 1433 C GLU A 93 -1.847 9.761 3.351 1.00 0.00 C ATOM 1434 O GLU A 93 -2.669 9.244 4.106 1.00 0.00 O ATOM 1435 CB GLU A 93 -2.355 12.049 2.520 1.00 0.00 C ATOM 1436 CG GLU A 93 -1.934 13.502 2.371 1.00 0.00 C ATOM 1437 CD GLU A 93 -1.956 14.257 3.681 1.00 0.00 C ATOM 1438 OE1 GLU A 93 -3.060 14.539 4.190 1.00 0.00 O ATOM 1439 OE2 GLU A 93 -0.870 14.587 4.195 1.00 0.00 O ATOM 0 H GLU A 93 0.091 12.082 2.394 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.652 11.563 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.337 11.575 1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.386 12.016 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.929 13.543 1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.597 13.996 1.661 1.00 0.00 H new ATOM 1446 N TYR A 94 -1.231 9.088 2.391 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.558 7.705 2.113 1.00 0.00 C ATOM 1448 C TYR A 94 -0.401 6.774 2.446 1.00 0.00 C ATOM 1449 O TYR A 94 -0.446 5.590 2.125 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.974 7.550 0.651 1.00 0.00 C ATOM 1451 CG TYR A 94 -3.338 8.134 0.360 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -4.487 7.519 0.841 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -3.480 9.299 -0.386 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -5.738 8.047 0.590 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.731 9.832 -0.645 1.00 0.00 C ATOM 1456 CZ TYR A 94 -5.855 9.202 -0.153 1.00 0.00 C ATOM 1457 OH TYR A 94 -7.103 9.727 -0.407 1.00 0.00 O ATOM 0 H TYR A 94 -0.503 9.480 1.794 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.394 7.422 2.753 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.234 8.035 0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.974 6.492 0.389 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.400 6.612 1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.601 9.796 -0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.621 7.557 0.974 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.826 10.736 -1.229 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.645 9.066 -0.886 1.00 0.00 H new ATOM 1467 N ILE A 95 0.613 7.297 3.116 1.00 0.00 N ATOM 1468 CA ILE A 95 1.736 6.476 3.542 1.00 0.00 C ATOM 1469 C ILE A 95 1.515 5.998 4.974 1.00 0.00 C ATOM 1470 O ILE A 95 1.389 6.812 5.893 1.00 0.00 O ATOM 1471 CB ILE A 95 3.077 7.239 3.449 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.327 7.692 2.008 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.220 6.357 3.935 1.00 0.00 C ATOM 1474 CD1 ILE A 95 4.601 8.488 1.825 1.00 0.00 C ATOM 0 H ILE A 95 0.682 8.281 3.376 1.00 0.00 H new ATOM 0 HA ILE A 95 1.792 5.620 2.869 1.00 0.00 H new ATOM 0 HB ILE A 95 3.025 8.121 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.364 6.814 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.483 8.296 1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.159 6.906 3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.044 6.072 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.276 5.461 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.706 8.771 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.561 9.386 2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.455 7.881 2.124 1.00 0.00 H new ATOM 1486 N PRO A 96 1.443 4.672 5.175 1.00 0.00 N ATOM 1487 CA PRO A 96 1.199 4.078 6.494 1.00 0.00 C ATOM 1488 C PRO A 96 2.318 4.386 7.492 1.00 0.00 C ATOM 1489 O PRO A 96 3.467 4.622 7.106 1.00 0.00 O ATOM 1490 CB PRO A 96 1.136 2.568 6.209 1.00 0.00 C ATOM 1491 CG PRO A 96 0.909 2.456 4.740 1.00 0.00 C ATOM 1492 CD PRO A 96 1.587 3.645 4.131 1.00 0.00 C ATOM 0 HA PRO A 96 0.293 4.475 6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.061 2.073 6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.329 2.095 6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.324 1.527 4.350 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.156 2.452 4.508 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.634 3.442 3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.112 3.947 3.198 1.00 0.00 H new ATOM 1500 N PRO A 97 1.991 4.381 8.795 1.00 0.00 N ATOM 1501 CA PRO A 97 2.959 4.650 9.865 1.00 0.00 C ATOM 1502 C PRO A 97 4.088 3.623 9.889 1.00 0.00 C ATOM 1503 O PRO A 97 3.931 2.511 9.380 1.00 0.00 O ATOM 1504 CB PRO A 97 2.121 4.559 11.147 1.00 0.00 C ATOM 1505 CG PRO A 97 0.912 3.779 10.765 1.00 0.00 C ATOM 1506 CD PRO A 97 0.646 4.119 9.329 1.00 0.00 C ATOM 0 HA PRO A 97 3.450 5.615 9.736 1.00 0.00 H new ATOM 0 HB2 PRO A 97 2.674 4.064 11.945 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.852 5.550 11.513 1.00 0.00 H new ATOM 0 HG2 PRO A 97 1.081 2.709 10.889 1.00 0.00 H new ATOM 0 HG3 PRO A 97 0.061 4.042 11.394 1.00 0.00 H new ATOM 0 HD2 PRO A 97 0.156 3.299 8.804 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.002 4.990 9.234 1.00 0.00 H new ATOM 1514 N SER A 98 5.224 4.016 10.470 1.00 0.00 N ATOM 1515 CA SER A 98 6.425 3.172 10.559 1.00 0.00 C ATOM 1516 C SER A 98 7.150 3.065 9.213 1.00 0.00 C ATOM 1517 O SER A 98 8.377 2.999 9.164 1.00 0.00 O ATOM 1518 CB SER A 98 6.084 1.775 11.088 1.00 0.00 C ATOM 1519 OG SER A 98 5.466 1.847 12.364 1.00 0.00 O ATOM 0 H SER A 98 5.340 4.935 10.896 1.00 0.00 H new ATOM 0 HA SER A 98 7.099 3.657 11.265 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.420 1.270 10.387 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.992 1.176 11.154 1.00 0.00 H new ATOM 0 HG SER A 98 5.257 0.942 12.678 1.00 0.00 H new ATOM 1525 N PHE A 99 6.394 3.053 8.122 1.00 0.00 N ATOM 1526 CA PHE A 99 6.975 2.962 6.786 1.00 0.00 C ATOM 1527 C PHE A 99 7.348 4.349 6.269 1.00 0.00 C ATOM 1528 O PHE A 99 7.816 4.502 5.143 1.00 0.00 O ATOM 1529 CB PHE A 99 5.992 2.293 5.821 1.00 0.00 C ATOM 1530 CG PHE A 99 5.557 0.918 6.247 1.00 0.00 C ATOM 1531 CD1 PHE A 99 6.380 -0.177 6.052 1.00 0.00 C ATOM 1532 CD2 PHE A 99 4.322 0.723 6.843 1.00 0.00 C ATOM 1533 CE1 PHE A 99 5.981 -1.441 6.442 1.00 0.00 C ATOM 1534 CE2 PHE A 99 3.915 -0.538 7.236 1.00 0.00 C ATOM 1535 CZ PHE A 99 4.747 -1.622 7.035 1.00 0.00 C ATOM 0 H PHE A 99 5.375 3.105 8.135 1.00 0.00 H new ATOM 0 HA PHE A 99 7.879 2.355 6.847 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.111 2.926 5.719 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.453 2.228 4.836 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.346 -0.042 5.589 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.668 1.568 7.003 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.634 -2.287 6.283 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.949 -0.675 7.699 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.433 -2.609 7.341 1.00 0.00 H new ATOM 1545 N ARG A 100 7.152 5.354 7.113 1.00 0.00 N ATOM 1546 CA ARG A 100 7.433 6.737 6.748 1.00 0.00 C ATOM 1547 C ARG A 100 8.884 7.096 7.063 1.00 0.00 C ATOM 1548 O ARG A 100 9.348 8.194 6.753 1.00 0.00 O ATOM 1549 CB ARG A 100 6.476 7.674 7.490 1.00 0.00 C ATOM 1550 CG ARG A 100 5.012 7.430 7.151 1.00 0.00 C ATOM 1551 CD ARG A 100 4.080 8.264 8.012 1.00 0.00 C ATOM 1552 NE ARG A 100 4.287 9.699 7.827 1.00 0.00 N ATOM 1553 CZ ARG A 100 3.363 10.619 8.105 1.00 0.00 C ATOM 1554 NH1 ARG A 100 2.163 10.251 8.542 1.00 0.00 N ATOM 1555 NH2 ARG A 100 3.636 11.905 7.934 1.00 0.00 N ATOM 0 H ARG A 100 6.797 5.236 8.062 1.00 0.00 H new ATOM 0 HA ARG A 100 7.282 6.853 5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.618 7.552 8.564 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.730 8.706 7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.840 7.663 6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.780 6.373 7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.047 8.015 7.771 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.233 8.010 9.061 1.00 0.00 H new ATOM 0 HE ARG A 100 5.187 10.014 7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.947 9.262 8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.459 10.958 8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.553 12.190 7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.929 12.609 8.147 1.00 0.00 H new