USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 905 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 Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.157 USER MOD Single : A 30 CYS SG : rot 124:sc= -1.83! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 129:sc= -2.35! USER MOD Single : A 35 ASN :FLIP amide:sc= -1.5 F(o=-2.6,f=-1.5) USER MOD Single : A 37 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.075) USER MOD Single : A 45 SER OG : rot -3:sc= 0.674! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 170:sc= 0 USER MOD Single : A 57 MET CE :methyl -147:sc= -0.086 (180deg=-1.18) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= -0.003 (180deg=-0.0908) USER MOD Single : A 68 GLN : amide:sc= -0.0676 X(o=-0.068,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.45) USER MOD Single : A 73 HIS : no HD1:sc= -18.1! C(o=-18!,f=-22!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -162:sc= -10.6! (180deg=-12.4!) USER MOD Single : A 82 THR OG1 : rot 100:sc= -1.84! USER MOD Single : A 84 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-3.3!) USER MOD Single : A 85 SER OG : rot -77:sc= 0.266 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 49:sc= -0.0414! USER MOD Single : A 95 GLN : amide:sc= -1.96 X(o=-2,f=-2) USER MOD Single : A 96 GLN : amide:sc= -4.09! C(o=-4.1!,f=-7.6!) USER MOD Single : A 101 TYR OH : rot 0:sc= -1.97 USER MOD Single : A 104 LYS NZ :NH3+ 172:sc= 0.586 (180deg=0.546) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 4 10.303 -10.324 -4.543 1.00 0.00 N ATOM 62 CA GLY A 4 9.957 -9.160 -3.746 1.00 0.00 C ATOM 63 C GLY A 4 9.378 -8.046 -4.590 1.00 0.00 C ATOM 64 O GLY A 4 10.081 -7.444 -5.401 1.00 0.00 O ATOM 0 HA2 GLY A 4 9.236 -9.446 -2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.845 -8.798 -3.228 1.00 0.00 H new ATOM 68 N ILE A 5 8.086 -7.788 -4.419 1.00 0.00 N ATOM 69 CA ILE A 5 7.408 -6.759 -5.191 1.00 0.00 C ATOM 70 C ILE A 5 6.626 -5.805 -4.295 1.00 0.00 C ATOM 71 O ILE A 5 5.630 -6.192 -3.685 1.00 0.00 O ATOM 72 CB ILE A 5 6.428 -7.387 -6.203 1.00 0.00 C ATOM 73 CG1 ILE A 5 7.043 -8.625 -6.868 1.00 0.00 C ATOM 74 CG2 ILE A 5 6.004 -6.365 -7.252 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.445 -8.412 -7.389 1.00 0.00 C ATOM 0 H ILE A 5 7.489 -8.278 -3.752 1.00 0.00 H new ATOM 0 HA ILE A 5 8.184 -6.203 -5.717 1.00 0.00 H new ATOM 0 HB ILE A 5 5.539 -7.704 -5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.055 -9.443 -6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.403 -8.936 -7.694 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.313 -6.830 -7.955 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.512 -5.524 -6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.883 -6.009 -7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.808 -9.334 -7.844 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.439 -7.617 -8.135 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.101 -8.132 -6.565 1.00 0.00 H new ATOM 87 N VAL A 6 7.064 -4.553 -4.239 1.00 0.00 N ATOM 88 CA VAL A 6 6.382 -3.547 -3.442 1.00 0.00 C ATOM 89 C VAL A 6 5.609 -2.602 -4.350 1.00 0.00 C ATOM 90 O VAL A 6 6.160 -2.053 -5.303 1.00 0.00 O ATOM 91 CB VAL A 6 7.362 -2.727 -2.577 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.248 -1.849 -3.446 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.604 -1.884 -1.563 1.00 0.00 C ATOM 0 H VAL A 6 7.887 -4.213 -4.736 1.00 0.00 H new ATOM 0 HA VAL A 6 5.700 -4.073 -2.774 1.00 0.00 H new ATOM 0 HB VAL A 6 8.002 -3.424 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.930 -1.281 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.823 -2.475 -4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.627 -1.161 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.312 -1.313 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.936 -1.199 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.019 -2.535 -0.913 1.00 0.00 H new ATOM 103 N TRP A 7 4.332 -2.423 -4.063 1.00 0.00 N ATOM 104 CA TRP A 7 3.496 -1.548 -4.869 1.00 0.00 C ATOM 105 C TRP A 7 3.043 -0.355 -4.041 1.00 0.00 C ATOM 106 O TRP A 7 2.632 -0.506 -2.893 1.00 0.00 O ATOM 107 CB TRP A 7 2.313 -2.336 -5.429 1.00 0.00 C ATOM 108 CG TRP A 7 2.680 -3.132 -6.647 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.942 -3.464 -7.057 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.788 -3.701 -7.612 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.888 -4.177 -8.227 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.579 -4.346 -8.583 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.397 -3.726 -7.754 1.00 0.00 C ATOM 114 CZ2 TRP A 7 2.028 -5.004 -9.676 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.148 -4.385 -8.841 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.667 -5.016 -9.788 1.00 0.00 C ATOM 0 H TRP A 7 3.852 -2.869 -3.282 1.00 0.00 H new ATOM 0 HA TRP A 7 4.069 -1.164 -5.713 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.932 -3.008 -4.660 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.506 -1.647 -5.678 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.850 -3.202 -6.534 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.694 -4.525 -8.747 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.239 -3.240 -7.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.654 -5.489 -10.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.221 -4.413 -8.961 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.210 -5.523 -10.625 1.00 0.00 H new ATOM 127 N VAL A 8 3.169 0.838 -4.611 1.00 0.00 N ATOM 128 CA VAL A 8 2.818 2.056 -3.893 1.00 0.00 C ATOM 129 C VAL A 8 1.861 2.945 -4.677 1.00 0.00 C ATOM 130 O VAL A 8 1.994 3.118 -5.884 1.00 0.00 O ATOM 131 CB VAL A 8 4.081 2.890 -3.556 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.971 3.493 -2.159 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.358 2.056 -3.704 1.00 0.00 C ATOM 0 H VAL A 8 3.509 0.987 -5.561 1.00 0.00 H new ATOM 0 HA VAL A 8 2.324 1.726 -2.979 1.00 0.00 H new ATOM 0 HB VAL A 8 4.145 3.708 -4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.867 4.074 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.097 4.142 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.870 2.694 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.224 2.671 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.316 1.203 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.443 1.700 -4.731 1.00 0.00 H new ATOM 143 N VAL A 9 0.903 3.521 -3.967 1.00 0.00 N ATOM 144 CA VAL A 9 -0.073 4.415 -4.579 1.00 0.00 C ATOM 145 C VAL A 9 -0.139 5.731 -3.807 1.00 0.00 C ATOM 146 O VAL A 9 -0.698 5.780 -2.714 1.00 0.00 O ATOM 147 CB VAL A 9 -1.483 3.780 -4.628 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.159 4.082 -5.961 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.407 2.282 -4.397 1.00 0.00 C ATOM 0 H VAL A 9 0.779 3.386 -2.964 1.00 0.00 H new ATOM 0 HA VAL A 9 0.254 4.600 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.082 4.218 -3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.150 3.628 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.252 5.161 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.559 3.674 -6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.410 1.857 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.789 1.826 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.967 2.087 -3.419 1.00 0.00 H new ATOM 159 N ASP A 10 0.442 6.790 -4.387 1.00 0.00 N ATOM 160 CA ASP A 10 0.456 8.122 -3.765 1.00 0.00 C ATOM 161 C ASP A 10 1.453 9.041 -4.477 1.00 0.00 C ATOM 162 O ASP A 10 2.648 8.763 -4.512 1.00 0.00 O ATOM 163 CB ASP A 10 0.794 8.044 -2.265 1.00 0.00 C ATOM 164 CG ASP A 10 0.825 9.413 -1.596 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.804 10.431 -2.319 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.865 9.468 -0.343 1.00 0.00 O ATOM 0 H ASP A 10 0.911 6.750 -5.292 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.547 8.537 -3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.058 7.416 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.763 7.561 -2.140 1.00 0.00 H new ATOM 171 N ASP A 11 0.951 10.141 -5.032 1.00 0.00 N ATOM 172 CA ASP A 11 1.782 11.120 -5.738 1.00 0.00 C ATOM 173 C ASP A 11 2.257 10.601 -7.096 1.00 0.00 C ATOM 174 O ASP A 11 2.496 11.385 -8.015 1.00 0.00 O ATOM 175 CB ASP A 11 2.981 11.521 -4.878 1.00 0.00 C ATOM 176 CG ASP A 11 3.034 13.015 -4.620 1.00 0.00 C ATOM 177 OD1 ASP A 11 2.409 13.470 -3.638 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.696 13.730 -5.401 1.00 0.00 O ATOM 0 H ASP A 11 -0.040 10.381 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 11 1.161 11.997 -5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.935 10.992 -3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.900 11.208 -5.373 1.00 0.00 H new ATOM 183 N ASP A 12 2.393 9.282 -7.225 1.00 0.00 N ATOM 184 CA ASP A 12 2.837 8.679 -8.476 1.00 0.00 C ATOM 185 C ASP A 12 4.337 8.926 -8.703 1.00 0.00 C ATOM 186 O ASP A 12 5.141 8.723 -7.791 1.00 0.00 O ATOM 187 CB ASP A 12 1.994 9.214 -9.642 1.00 0.00 C ATOM 188 CG ASP A 12 1.929 8.243 -10.806 1.00 0.00 C ATOM 189 OD1 ASP A 12 2.950 7.578 -11.083 1.00 0.00 O ATOM 190 OD2 ASP A 12 0.857 8.149 -11.441 1.00 0.00 O ATOM 0 H ASP A 12 2.202 8.613 -6.479 1.00 0.00 H new ATOM 0 HA ASP A 12 2.694 7.600 -8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.984 9.422 -9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.413 10.160 -9.985 1.00 0.00 H new ATOM 195 N SER A 13 4.709 9.346 -9.918 1.00 0.00 N ATOM 196 CA SER A 13 6.108 9.604 -10.276 1.00 0.00 C ATOM 197 C SER A 13 6.949 10.076 -9.093 1.00 0.00 C ATOM 198 O SER A 13 8.039 9.562 -8.849 1.00 0.00 O ATOM 199 CB SER A 13 6.175 10.633 -11.406 1.00 0.00 C ATOM 200 OG SER A 13 7.458 10.651 -12.004 1.00 0.00 O ATOM 0 H SER A 13 4.051 9.516 -10.678 1.00 0.00 H new ATOM 0 HA SER A 13 6.531 8.655 -10.606 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.423 10.400 -12.159 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.939 11.623 -11.015 1.00 0.00 H new ATOM 0 HG SER A 13 7.474 11.316 -12.724 1.00 0.00 H new ATOM 206 N SER A 14 6.435 11.052 -8.365 1.00 0.00 N ATOM 207 CA SER A 14 7.138 11.594 -7.204 1.00 0.00 C ATOM 208 C SER A 14 7.511 10.479 -6.232 1.00 0.00 C ATOM 209 O SER A 14 8.686 10.158 -6.061 1.00 0.00 O ATOM 210 CB SER A 14 6.274 12.637 -6.492 1.00 0.00 C ATOM 211 OG SER A 14 7.073 13.530 -5.736 1.00 0.00 O ATOM 0 H SER A 14 5.533 11.489 -8.554 1.00 0.00 H new ATOM 0 HA SER A 14 8.052 12.073 -7.555 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.694 13.196 -7.226 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.561 12.137 -5.836 1.00 0.00 H new ATOM 0 HG SER A 14 6.498 14.188 -5.292 1.00 0.00 H new ATOM 217 N ILE A 15 6.500 9.890 -5.609 1.00 0.00 N ATOM 218 CA ILE A 15 6.713 8.803 -4.664 1.00 0.00 C ATOM 219 C ILE A 15 7.356 7.601 -5.363 1.00 0.00 C ATOM 220 O ILE A 15 7.972 6.749 -4.722 1.00 0.00 O ATOM 221 CB ILE A 15 5.376 8.402 -3.983 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.878 9.551 -3.098 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.515 7.122 -3.159 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.720 9.778 -1.860 1.00 0.00 C ATOM 0 H ILE A 15 5.522 10.147 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 15 7.397 9.148 -3.888 1.00 0.00 H new ATOM 0 HB ILE A 15 4.648 8.204 -4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.859 10.468 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.851 9.345 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.557 6.879 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.825 6.303 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.263 7.270 -2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.306 10.606 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.719 8.875 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.742 10.016 -2.154 1.00 0.00 H new ATOM 236 N ARG A 16 7.221 7.546 -6.687 1.00 0.00 N ATOM 237 CA ARG A 16 7.792 6.455 -7.475 1.00 0.00 C ATOM 238 C ARG A 16 9.319 6.536 -7.528 1.00 0.00 C ATOM 239 O ARG A 16 10.012 5.615 -7.097 1.00 0.00 O ATOM 240 CB ARG A 16 7.220 6.476 -8.896 1.00 0.00 C ATOM 241 CG ARG A 16 7.591 5.252 -9.724 1.00 0.00 C ATOM 242 CD ARG A 16 8.025 5.640 -11.130 1.00 0.00 C ATOM 243 NE ARG A 16 8.601 4.509 -11.859 1.00 0.00 N ATOM 244 CZ ARG A 16 9.674 4.594 -12.646 1.00 0.00 C ATOM 245 NH1 ARG A 16 10.302 5.752 -12.813 1.00 0.00 N ATOM 246 NH2 ARG A 16 10.121 3.513 -13.269 1.00 0.00 N ATOM 0 H ARG A 16 6.721 8.245 -7.237 1.00 0.00 H new ATOM 0 HA ARG A 16 7.522 5.518 -6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.134 6.550 -8.840 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.575 7.371 -9.408 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.397 4.708 -9.231 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.737 4.576 -9.779 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.167 6.027 -11.680 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.757 6.446 -11.074 1.00 0.00 H new ATOM 0 HE ARG A 16 8.153 3.598 -11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.965 6.588 -12.337 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.122 5.805 -13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.644 2.620 -13.146 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.942 3.574 -13.872 1.00 0.00 H new ATOM 260 N TRP A 17 9.837 7.636 -8.072 1.00 0.00 N ATOM 261 CA TRP A 17 11.283 7.834 -8.197 1.00 0.00 C ATOM 262 C TRP A 17 12.010 7.574 -6.879 1.00 0.00 C ATOM 263 O TRP A 17 13.062 6.931 -6.852 1.00 0.00 O ATOM 264 CB TRP A 17 11.581 9.258 -8.674 1.00 0.00 C ATOM 265 CG TRP A 17 13.036 9.515 -8.937 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.770 9.068 -9.999 1.00 0.00 C ATOM 267 CD2 TRP A 17 13.932 10.284 -8.125 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.067 9.512 -9.896 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.191 10.258 -8.754 1.00 0.00 C ATOM 270 CE3 TRP A 17 13.790 10.990 -6.927 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.302 10.913 -8.225 1.00 0.00 C ATOM 272 CZ3 TRP A 17 14.894 11.639 -6.402 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.135 11.597 -7.051 1.00 0.00 C ATOM 0 H TRP A 17 9.276 8.407 -8.435 1.00 0.00 H new ATOM 0 HA TRP A 17 11.648 7.115 -8.930 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.016 9.452 -9.586 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.226 9.965 -7.924 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.387 8.455 -10.802 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.815 9.318 -10.562 1.00 0.00 H new ATOM 0 HE3 TRP A 17 12.837 11.028 -6.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.260 10.882 -8.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.797 12.187 -5.476 1.00 0.00 H new ATOM 0 HH2 TRP A 17 16.977 12.115 -6.616 1.00 0.00 H new ATOM 284 N VAL A 18 11.458 8.094 -5.793 1.00 0.00 N ATOM 285 CA VAL A 18 12.073 7.934 -4.482 1.00 0.00 C ATOM 286 C VAL A 18 12.097 6.481 -4.032 1.00 0.00 C ATOM 287 O VAL A 18 13.156 5.926 -3.738 1.00 0.00 O ATOM 288 CB VAL A 18 11.368 8.774 -3.391 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.358 9.169 -2.305 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.703 10.013 -3.980 1.00 0.00 C ATOM 0 H VAL A 18 10.589 8.628 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 18 13.095 8.292 -4.602 1.00 0.00 H new ATOM 0 HB VAL A 18 10.586 8.156 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.847 9.760 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.774 8.271 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.162 9.760 -2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.218 10.579 -3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.457 10.637 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.958 9.711 -4.716 1.00 0.00 H new ATOM 300 N LEU A 19 10.921 5.887 -3.938 1.00 0.00 N ATOM 301 CA LEU A 19 10.788 4.508 -3.473 1.00 0.00 C ATOM 302 C LEU A 19 11.310 3.486 -4.475 1.00 0.00 C ATOM 303 O LEU A 19 11.699 2.383 -4.090 1.00 0.00 O ATOM 304 CB LEU A 19 9.327 4.192 -3.143 1.00 0.00 C ATOM 305 CG LEU A 19 8.778 4.884 -1.897 1.00 0.00 C ATOM 306 CD1 LEU A 19 7.259 4.826 -1.886 1.00 0.00 C ATOM 307 CD2 LEU A 19 9.347 4.243 -0.641 1.00 0.00 C ATOM 0 H LEU A 19 10.037 6.336 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 19 11.402 4.430 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.710 4.472 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.225 3.114 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 19 9.082 5.930 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.882 5.323 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.869 5.328 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.935 3.785 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.946 4.747 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.070 3.189 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.433 4.332 -0.647 1.00 0.00 H new ATOM 319 N GLU A 20 11.303 3.831 -5.751 1.00 0.00 N ATOM 320 CA GLU A 20 11.761 2.895 -6.770 1.00 0.00 C ATOM 321 C GLU A 20 13.234 2.561 -6.607 1.00 0.00 C ATOM 322 O GLU A 20 13.605 1.398 -6.463 1.00 0.00 O ATOM 323 CB GLU A 20 11.480 3.413 -8.184 1.00 0.00 C ATOM 324 CG GLU A 20 12.353 4.564 -8.641 1.00 0.00 C ATOM 325 CD GLU A 20 11.975 5.055 -10.024 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.771 5.284 -10.262 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.881 5.210 -10.869 1.00 0.00 O ATOM 0 H GLU A 20 10.992 4.736 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 20 11.191 1.977 -6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.600 2.587 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.438 3.727 -8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.269 5.386 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.396 4.248 -8.642 1.00 0.00 H new ATOM 334 N ARG A 21 14.071 3.579 -6.641 1.00 0.00 N ATOM 335 CA ARG A 21 15.510 3.381 -6.511 1.00 0.00 C ATOM 336 C ARG A 21 15.885 2.808 -5.147 1.00 0.00 C ATOM 337 O ARG A 21 16.475 1.731 -5.062 1.00 0.00 O ATOM 338 CB ARG A 21 16.254 4.694 -6.753 1.00 0.00 C ATOM 339 CG ARG A 21 16.190 5.165 -8.196 1.00 0.00 C ATOM 340 CD ARG A 21 17.406 4.715 -8.990 1.00 0.00 C ATOM 341 NE ARG A 21 17.068 3.683 -9.967 1.00 0.00 N ATOM 342 CZ ARG A 21 16.249 3.877 -10.998 1.00 0.00 C ATOM 343 NH1 ARG A 21 15.687 5.063 -11.195 1.00 0.00 N ATOM 344 NH2 ARG A 21 15.993 2.883 -11.837 1.00 0.00 N ATOM 0 H ARG A 21 13.785 4.551 -6.757 1.00 0.00 H new ATOM 0 HA ARG A 21 15.808 2.655 -7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.834 5.466 -6.108 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.298 4.570 -6.465 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.286 4.778 -8.665 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.121 6.253 -8.221 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.842 5.572 -9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.165 4.333 -8.307 1.00 0.00 H new ATOM 0 HE ARG A 21 17.484 2.759 -9.852 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.882 5.832 -10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.060 5.205 -11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.424 1.970 -11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.365 3.031 -12.627 1.00 0.00 H new ATOM 358 N ALA A 22 15.559 3.531 -4.082 1.00 0.00 N ATOM 359 CA ALA A 22 15.886 3.081 -2.733 1.00 0.00 C ATOM 360 C ALA A 22 15.429 1.655 -2.487 1.00 0.00 C ATOM 361 O ALA A 22 16.224 0.789 -2.120 1.00 0.00 O ATOM 362 CB ALA A 22 15.285 4.021 -1.696 1.00 0.00 C ATOM 0 H ALA A 22 15.072 4.426 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 22 16.972 3.098 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.539 3.670 -0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.684 5.025 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.201 4.042 -1.809 1.00 0.00 H new ATOM 368 N LEU A 23 14.151 1.416 -2.685 1.00 0.00 N ATOM 369 CA LEU A 23 13.590 0.090 -2.479 1.00 0.00 C ATOM 370 C LEU A 23 14.170 -0.911 -3.476 1.00 0.00 C ATOM 371 O LEU A 23 14.209 -2.124 -3.219 1.00 0.00 O ATOM 372 CB LEU A 23 12.065 0.132 -2.580 1.00 0.00 C ATOM 373 CG LEU A 23 11.335 -1.080 -1.998 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.132 -2.130 -3.073 1.00 0.00 C ATOM 375 CD2 LEU A 23 12.095 -1.665 -0.813 1.00 0.00 C ATOM 0 H LEU A 23 13.477 2.119 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 23 13.860 -0.241 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.709 1.028 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.790 0.231 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 23 10.361 -0.751 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.612 -2.989 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.538 -1.710 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.101 -2.447 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.552 -2.525 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.087 -1.980 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.190 -0.910 -0.033 1.00 0.00 H new ATOM 387 N ALA A 24 14.649 -0.405 -4.606 1.00 0.00 N ATOM 388 CA ALA A 24 15.251 -1.267 -5.601 1.00 0.00 C ATOM 389 C ALA A 24 16.593 -1.763 -5.086 1.00 0.00 C ATOM 390 O ALA A 24 17.001 -2.889 -5.369 1.00 0.00 O ATOM 391 CB ALA A 24 15.411 -0.539 -6.926 1.00 0.00 C ATOM 0 H ALA A 24 14.631 0.585 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 24 14.598 -2.122 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.865 -1.208 -7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.433 -0.219 -7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.049 0.333 -6.787 1.00 0.00 H new ATOM 397 N GLY A 25 17.262 -0.917 -4.301 1.00 0.00 N ATOM 398 CA GLY A 25 18.537 -1.298 -3.732 1.00 0.00 C ATOM 399 C GLY A 25 18.399 -2.503 -2.825 1.00 0.00 C ATOM 400 O GLY A 25 19.346 -3.269 -2.645 1.00 0.00 O ATOM 0 H GLY A 25 16.942 0.019 -4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.242 -1.522 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.950 -0.462 -3.168 1.00 0.00 H new ATOM 404 N ALA A 26 17.205 -2.675 -2.261 1.00 0.00 N ATOM 405 CA ALA A 26 16.929 -3.798 -1.381 1.00 0.00 C ATOM 406 C ALA A 26 16.712 -5.076 -2.185 1.00 0.00 C ATOM 407 O ALA A 26 16.775 -6.180 -1.645 1.00 0.00 O ATOM 408 CB ALA A 26 15.713 -3.504 -0.513 1.00 0.00 C ATOM 0 H ALA A 26 16.414 -2.046 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 26 17.793 -3.945 -0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.519 -4.354 0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.903 -2.617 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.845 -3.330 -1.149 1.00 0.00 H new ATOM 414 N GLY A 27 16.484 -4.921 -3.490 1.00 0.00 N ATOM 415 CA GLY A 27 16.292 -6.070 -4.351 1.00 0.00 C ATOM 416 C GLY A 27 14.837 -6.390 -4.653 1.00 0.00 C ATOM 417 O GLY A 27 14.523 -7.532 -4.991 1.00 0.00 O ATOM 0 H GLY A 27 16.430 -4.018 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.816 -5.897 -5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.754 -6.940 -3.884 1.00 0.00 H new ATOM 421 N LEU A 28 13.933 -5.410 -4.541 1.00 0.00 N ATOM 422 CA LEU A 28 12.527 -5.673 -4.827 1.00 0.00 C ATOM 423 C LEU A 28 11.975 -4.744 -5.905 1.00 0.00 C ATOM 424 O LEU A 28 12.571 -3.714 -6.219 1.00 0.00 O ATOM 425 CB LEU A 28 11.682 -5.573 -3.559 1.00 0.00 C ATOM 426 CG LEU A 28 12.422 -5.908 -2.265 1.00 0.00 C ATOM 427 CD1 LEU A 28 13.023 -4.655 -1.653 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.492 -6.607 -1.286 1.00 0.00 C ATOM 0 H LEU A 28 14.146 -4.453 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 28 12.469 -6.692 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.286 -4.560 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.827 -6.243 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 28 13.239 -6.590 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.546 -4.914 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.726 -4.208 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.229 -3.942 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.035 -6.838 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.651 -5.954 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.122 -7.531 -1.732 1.00 0.00 H new ATOM 440 N THR A 29 10.825 -5.123 -6.467 1.00 0.00 N ATOM 441 CA THR A 29 10.185 -4.325 -7.515 1.00 0.00 C ATOM 442 C THR A 29 9.332 -3.223 -6.904 1.00 0.00 C ATOM 443 O THR A 29 8.614 -3.443 -5.931 1.00 0.00 O ATOM 444 CB THR A 29 9.323 -5.201 -8.427 1.00 0.00 C ATOM 445 OG1 THR A 29 10.115 -6.167 -9.096 1.00 0.00 O ATOM 446 CG2 THR A 29 8.575 -4.410 -9.480 1.00 0.00 C ATOM 0 H THR A 29 10.320 -5.973 -6.216 1.00 0.00 H new ATOM 0 HA THR A 29 10.975 -3.873 -8.115 1.00 0.00 H new ATOM 0 HB THR A 29 8.598 -5.678 -7.767 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.578 -6.609 -9.786 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.983 -5.089 -10.093 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.915 -3.691 -8.994 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.288 -3.879 -10.111 1.00 0.00 H new ATOM 454 N CYS A 30 9.435 -2.031 -7.471 1.00 0.00 N ATOM 455 CA CYS A 30 8.698 -0.876 -6.979 1.00 0.00 C ATOM 456 C CYS A 30 7.919 -0.186 -8.098 1.00 0.00 C ATOM 457 O CYS A 30 8.502 0.481 -8.952 1.00 0.00 O ATOM 458 CB CYS A 30 9.674 0.108 -6.336 1.00 0.00 C ATOM 459 SG CYS A 30 11.392 -0.476 -6.277 1.00 0.00 S ATOM 0 H CYS A 30 10.027 -1.837 -8.279 1.00 0.00 H new ATOM 0 HA CYS A 30 7.975 -1.220 -6.240 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.641 1.048 -6.887 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.340 0.322 -5.321 1.00 0.00 H new ATOM 0 HG CYS A 30 12.165 0.388 -6.865 1.00 0.00 H new ATOM 465 N THR A 31 6.598 -0.325 -8.068 1.00 0.00 N ATOM 466 CA THR A 31 5.737 0.315 -9.057 1.00 0.00 C ATOM 467 C THR A 31 4.752 1.223 -8.324 1.00 0.00 C ATOM 468 O THR A 31 4.370 0.933 -7.190 1.00 0.00 O ATOM 469 CB THR A 31 5.000 -0.729 -9.912 1.00 0.00 C ATOM 470 OG1 THR A 31 4.557 -0.155 -11.129 1.00 0.00 O ATOM 471 CG2 THR A 31 3.789 -1.317 -9.233 1.00 0.00 C ATOM 0 H THR A 31 6.099 -0.876 -7.369 1.00 0.00 H new ATOM 0 HA THR A 31 6.344 0.909 -9.740 1.00 0.00 H new ATOM 0 HB THR A 31 5.728 -1.523 -10.080 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.092 -0.834 -11.661 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.319 -2.045 -9.894 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.093 -1.809 -8.309 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.078 -0.523 -9.005 1.00 0.00 H new ATOM 479 N THR A 32 4.358 2.331 -8.942 1.00 0.00 N ATOM 480 CA THR A 32 3.443 3.258 -8.284 1.00 0.00 C ATOM 481 C THR A 32 2.206 3.557 -9.112 1.00 0.00 C ATOM 482 O THR A 32 2.166 3.324 -10.321 1.00 0.00 O ATOM 483 CB THR A 32 4.155 4.557 -7.929 1.00 0.00 C ATOM 484 OG1 THR A 32 4.552 5.247 -9.099 1.00 0.00 O ATOM 485 CG2 THR A 32 5.380 4.342 -7.068 1.00 0.00 C ATOM 0 H THR A 32 4.651 2.606 -9.880 1.00 0.00 H new ATOM 0 HA THR A 32 3.109 2.763 -7.372 1.00 0.00 H new ATOM 0 HB THR A 32 3.434 5.144 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.243 6.176 -9.052 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.844 5.304 -6.849 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.089 3.858 -6.136 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.091 3.709 -7.599 1.00 0.00 H new ATOM 493 N PHE A 33 1.192 4.063 -8.424 1.00 0.00 N ATOM 494 CA PHE A 33 -0.078 4.397 -9.038 1.00 0.00 C ATOM 495 C PHE A 33 -0.590 5.756 -8.544 1.00 0.00 C ATOM 496 O PHE A 33 0.024 6.384 -7.675 1.00 0.00 O ATOM 497 CB PHE A 33 -1.091 3.287 -8.785 1.00 0.00 C ATOM 498 CG PHE A 33 -0.559 1.915 -9.066 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.414 1.361 -8.251 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.036 1.177 -10.134 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.903 0.096 -8.500 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.554 -0.092 -10.386 1.00 0.00 C ATOM 503 CZ PHE A 33 0.418 -0.634 -9.570 1.00 0.00 C ATOM 0 H PHE A 33 1.231 4.252 -7.422 1.00 0.00 H new ATOM 0 HA PHE A 33 0.067 4.483 -10.115 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.419 3.335 -7.746 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.971 3.461 -9.405 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.794 1.925 -7.412 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.794 1.598 -10.778 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.664 -0.325 -7.860 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.937 -0.660 -11.221 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.799 -1.625 -9.766 1.00 0.00 H new ATOM 513 N GLU A 34 -1.689 6.222 -9.139 1.00 0.00 N ATOM 514 CA GLU A 34 -2.266 7.527 -8.814 1.00 0.00 C ATOM 515 C GLU A 34 -2.722 7.660 -7.354 1.00 0.00 C ATOM 516 O GLU A 34 -2.231 8.533 -6.638 1.00 0.00 O ATOM 517 CB GLU A 34 -3.447 7.802 -9.748 1.00 0.00 C ATOM 518 CG GLU A 34 -4.474 6.679 -9.788 1.00 0.00 C ATOM 519 CD GLU A 34 -5.719 6.987 -8.976 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.027 8.182 -8.788 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.383 6.028 -8.526 1.00 0.00 O ATOM 0 H GLU A 34 -2.202 5.709 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.473 8.262 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.940 8.722 -9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.069 7.972 -10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.759 6.491 -10.823 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.018 5.763 -9.411 1.00 0.00 H new ATOM 528 N ASN A 35 -3.663 6.829 -6.905 1.00 0.00 N ATOM 529 CA ASN A 35 -4.150 6.930 -5.530 1.00 0.00 C ATOM 530 C ASN A 35 -4.674 5.601 -4.994 1.00 0.00 C ATOM 531 O ASN A 35 -4.701 5.384 -3.782 1.00 0.00 O ATOM 532 CB ASN A 35 -5.242 7.996 -5.430 1.00 0.00 C ATOM 533 CG ASN A 35 -4.698 9.399 -5.603 1.00 0.00 C ATOM 534 OD1 ASN A 35 -4.894 9.967 -6.788 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -4.108 9.966 -4.684 1.00 0.00 N flip ATOM 0 H ASN A 35 -4.096 6.092 -7.461 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.298 7.216 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.001 7.807 -6.190 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.735 7.917 -4.461 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.980 9.491 -3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.747 10.911 -4.816 1.00 0.00 H new ATOM 542 N GLY A 36 -5.080 4.712 -5.889 1.00 0.00 N ATOM 543 CA GLY A 36 -5.583 3.425 -5.463 1.00 0.00 C ATOM 544 C GLY A 36 -6.296 2.673 -6.565 1.00 0.00 C ATOM 545 O GLY A 36 -5.935 1.541 -6.887 1.00 0.00 O ATOM 0 H GLY A 36 -5.070 4.859 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.753 2.820 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.267 3.568 -4.627 1.00 0.00 H new ATOM 549 N ASN A 37 -7.320 3.298 -7.138 1.00 0.00 N ATOM 550 CA ASN A 37 -8.098 2.675 -8.203 1.00 0.00 C ATOM 551 C ASN A 37 -7.188 2.077 -9.265 1.00 0.00 C ATOM 552 O ASN A 37 -7.471 1.011 -9.811 1.00 0.00 O ATOM 553 CB ASN A 37 -9.050 3.689 -8.833 1.00 0.00 C ATOM 554 CG ASN A 37 -10.505 3.320 -8.619 1.00 0.00 C ATOM 555 OD1 ASN A 37 -11.317 3.385 -9.541 1.00 0.00 O ATOM 556 ND2 ASN A 37 -10.840 2.926 -7.394 1.00 0.00 N ATOM 0 H ASN A 37 -7.630 4.235 -6.883 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.685 1.869 -7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.861 4.675 -8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.848 3.759 -9.902 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.804 2.662 -7.189 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.133 2.887 -6.660 1.00 0.00 H new ATOM 563 N GLU A 38 -6.090 2.765 -9.549 1.00 0.00 N ATOM 564 CA GLU A 38 -5.143 2.284 -10.545 1.00 0.00 C ATOM 565 C GLU A 38 -4.619 0.902 -10.169 1.00 0.00 C ATOM 566 O GLU A 38 -4.724 -0.036 -10.960 1.00 0.00 O ATOM 567 CB GLU A 38 -3.978 3.252 -10.708 1.00 0.00 C ATOM 568 CG GLU A 38 -3.406 3.288 -12.118 1.00 0.00 C ATOM 569 CD GLU A 38 -2.500 4.480 -12.351 1.00 0.00 C ATOM 570 OE1 GLU A 38 -3.021 5.569 -12.673 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.267 4.326 -12.212 1.00 0.00 O ATOM 0 H GLU A 38 -5.835 3.649 -9.109 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.672 2.215 -11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.308 4.254 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.187 2.975 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.847 2.371 -12.303 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.225 3.313 -12.837 1.00 0.00 H new ATOM 578 N VAL A 39 -4.054 0.766 -8.961 1.00 0.00 N ATOM 579 CA VAL A 39 -3.530 -0.535 -8.534 1.00 0.00 C ATOM 580 C VAL A 39 -4.567 -1.630 -8.719 1.00 0.00 C ATOM 581 O VAL A 39 -4.264 -2.703 -9.233 1.00 0.00 O ATOM 582 CB VAL A 39 -3.106 -0.540 -7.058 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.170 -1.706 -6.777 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.454 0.770 -6.682 1.00 0.00 C ATOM 0 H VAL A 39 -3.950 1.519 -8.280 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.658 -0.722 -9.160 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.000 -0.661 -6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.879 -1.694 -5.727 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.679 -2.643 -7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.280 -1.617 -7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.162 0.743 -5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.570 0.927 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.159 1.586 -6.842 1.00 0.00 H new ATOM 594 N LEU A 40 -5.789 -1.353 -8.285 1.00 0.00 N ATOM 595 CA LEU A 40 -6.877 -2.323 -8.392 1.00 0.00 C ATOM 596 C LEU A 40 -6.922 -2.952 -9.784 1.00 0.00 C ATOM 597 O LEU A 40 -7.051 -4.168 -9.921 1.00 0.00 O ATOM 598 CB LEU A 40 -8.220 -1.663 -8.070 1.00 0.00 C ATOM 599 CG LEU A 40 -8.250 -0.843 -6.775 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.649 -0.312 -6.513 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.771 -1.680 -5.596 1.00 0.00 C ATOM 0 H LEU A 40 -6.054 -0.467 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.689 -3.114 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.495 -1.012 -8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.983 -2.439 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.574 0.004 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.651 0.268 -5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.958 0.325 -7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.343 -1.147 -6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.800 -1.079 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.420 -2.548 -5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.749 -2.013 -5.778 1.00 0.00 H new ATOM 613 N ALA A 41 -6.807 -2.117 -10.812 1.00 0.00 N ATOM 614 CA ALA A 41 -6.830 -2.596 -12.190 1.00 0.00 C ATOM 615 C ALA A 41 -5.615 -3.460 -12.496 1.00 0.00 C ATOM 616 O ALA A 41 -5.735 -4.554 -13.049 1.00 0.00 O ATOM 617 CB ALA A 41 -6.897 -1.420 -13.152 1.00 0.00 C ATOM 0 H ALA A 41 -6.697 -1.107 -10.717 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.720 -3.213 -12.318 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.914 -1.789 -14.177 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.802 -0.843 -12.959 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.024 -0.783 -13.010 1.00 0.00 H new ATOM 623 N ALA A 42 -4.449 -2.954 -12.137 1.00 0.00 N ATOM 624 CA ALA A 42 -3.194 -3.661 -12.371 1.00 0.00 C ATOM 625 C ALA A 42 -3.104 -4.932 -11.530 1.00 0.00 C ATOM 626 O ALA A 42 -2.548 -5.939 -11.970 1.00 0.00 O ATOM 627 CB ALA A 42 -2.006 -2.750 -12.082 1.00 0.00 C ATOM 0 H ALA A 42 -4.341 -2.049 -11.679 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.168 -3.952 -13.421 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.078 -3.294 -12.262 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.048 -1.879 -12.735 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.041 -2.426 -11.042 1.00 0.00 H new ATOM 633 N LEU A 43 -3.647 -4.878 -10.320 1.00 0.00 N ATOM 634 CA LEU A 43 -3.621 -6.022 -9.418 1.00 0.00 C ATOM 635 C LEU A 43 -4.403 -7.196 -9.992 1.00 0.00 C ATOM 636 O LEU A 43 -4.139 -8.352 -9.663 1.00 0.00 O ATOM 637 CB LEU A 43 -4.189 -5.638 -8.053 1.00 0.00 C ATOM 638 CG LEU A 43 -3.193 -4.967 -7.111 1.00 0.00 C ATOM 639 CD1 LEU A 43 -3.923 -4.258 -5.985 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.222 -5.993 -6.556 1.00 0.00 C ATOM 0 H LEU A 43 -4.111 -4.053 -9.941 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.581 -6.328 -9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.035 -4.967 -8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.576 -6.536 -7.571 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.627 -4.224 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.198 -3.785 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.584 -3.498 -6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.512 -4.981 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.517 -5.501 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.773 -6.756 -6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.677 -6.460 -7.377 1.00 0.00 H new ATOM 652 N ALA A 44 -5.360 -6.890 -10.855 1.00 0.00 N ATOM 653 CA ALA A 44 -6.176 -7.920 -11.484 1.00 0.00 C ATOM 654 C ALA A 44 -5.315 -8.900 -12.275 1.00 0.00 C ATOM 655 O ALA A 44 -5.764 -9.994 -12.621 1.00 0.00 O ATOM 656 CB ALA A 44 -7.220 -7.282 -12.388 1.00 0.00 C ATOM 0 H ALA A 44 -5.591 -5.937 -11.136 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.682 -8.479 -10.697 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.824 -8.061 -12.853 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.862 -6.629 -11.797 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.723 -6.698 -13.163 1.00 0.00 H new ATOM 662 N SER A 45 -4.079 -8.502 -12.567 1.00 0.00 N ATOM 663 CA SER A 45 -3.164 -9.338 -13.321 1.00 0.00 C ATOM 664 C SER A 45 -1.884 -9.641 -12.537 1.00 0.00 C ATOM 665 O SER A 45 -1.043 -10.414 -12.997 1.00 0.00 O ATOM 666 CB SER A 45 -2.813 -8.663 -14.648 1.00 0.00 C ATOM 667 OG SER A 45 -1.672 -9.260 -15.240 1.00 0.00 O ATOM 0 H SER A 45 -3.692 -7.600 -12.289 1.00 0.00 H new ATOM 0 HA SER A 45 -3.667 -10.286 -13.511 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.660 -8.735 -15.331 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.627 -7.602 -14.481 1.00 0.00 H new ATOM 0 HG SER A 45 -1.320 -9.954 -14.644 1.00 0.00 H new ATOM 673 N LYS A 46 -1.729 -9.032 -11.361 1.00 0.00 N ATOM 674 CA LYS A 46 -0.539 -9.253 -10.548 1.00 0.00 C ATOM 675 C LYS A 46 -0.801 -8.957 -9.073 1.00 0.00 C ATOM 676 O LYS A 46 -1.744 -8.246 -8.729 1.00 0.00 O ATOM 677 CB LYS A 46 0.611 -8.380 -11.045 1.00 0.00 C ATOM 678 CG LYS A 46 1.964 -9.071 -11.017 1.00 0.00 C ATOM 679 CD LYS A 46 3.016 -8.209 -10.334 1.00 0.00 C ATOM 680 CE LYS A 46 4.006 -7.637 -11.337 1.00 0.00 C ATOM 681 NZ LYS A 46 5.081 -6.846 -10.677 1.00 0.00 N ATOM 0 H LYS A 46 -2.408 -8.388 -10.955 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.270 -10.305 -10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.398 -8.061 -12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.661 -7.479 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.877 -10.023 -10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.281 -9.295 -12.036 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.528 -7.395 -9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.550 -8.804 -9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.454 -8.451 -11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.475 -7.004 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.732 -6.476 -11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.657 -6.053 -10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.605 -7.456 -10.017 1.00 0.00 H new ATOM 695 N THR A 47 0.051 -9.502 -8.206 1.00 0.00 N ATOM 696 CA THR A 47 -0.080 -9.287 -6.773 1.00 0.00 C ATOM 697 C THR A 47 1.283 -9.067 -6.108 1.00 0.00 C ATOM 698 O THR A 47 2.089 -9.993 -6.013 1.00 0.00 O ATOM 699 CB THR A 47 -0.783 -10.480 -6.118 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.102 -10.618 -6.616 1.00 0.00 O ATOM 701 CG2 THR A 47 -0.869 -10.376 -4.608 1.00 0.00 C ATOM 0 H THR A 47 0.837 -10.094 -8.474 1.00 0.00 H new ATOM 0 HA THR A 47 -0.678 -8.387 -6.631 1.00 0.00 H new ATOM 0 HB THR A 47 -0.172 -11.347 -6.369 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.535 -11.386 -6.188 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.378 -11.254 -4.211 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.136 -10.319 -4.189 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.426 -9.480 -4.336 1.00 0.00 H new ATOM 709 N PRO A 48 1.550 -7.845 -5.611 1.00 0.00 N ATOM 710 CA PRO A 48 2.810 -7.524 -4.926 1.00 0.00 C ATOM 711 C PRO A 48 2.913 -8.219 -3.573 1.00 0.00 C ATOM 712 O PRO A 48 1.927 -8.738 -3.059 1.00 0.00 O ATOM 713 CB PRO A 48 2.734 -6.009 -4.731 1.00 0.00 C ATOM 714 CG PRO A 48 1.275 -5.719 -4.689 1.00 0.00 C ATOM 715 CD PRO A 48 0.648 -6.677 -5.660 1.00 0.00 C ATOM 0 HA PRO A 48 3.680 -7.852 -5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.228 -5.701 -3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.222 -5.477 -5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.875 -5.860 -3.685 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.072 -4.686 -4.970 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.368 -6.940 -5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.591 -6.254 -6.663 1.00 0.00 H new ATOM 723 N ASP A 49 4.107 -8.230 -2.993 1.00 0.00 N ATOM 724 CA ASP A 49 4.307 -8.859 -1.693 1.00 0.00 C ATOM 725 C ASP A 49 3.884 -7.911 -0.569 1.00 0.00 C ATOM 726 O ASP A 49 3.498 -8.349 0.515 1.00 0.00 O ATOM 727 CB ASP A 49 5.771 -9.265 -1.513 1.00 0.00 C ATOM 728 CG ASP A 49 6.146 -10.460 -2.366 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.943 -11.604 -1.906 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.643 -10.253 -3.492 1.00 0.00 O ATOM 0 H ASP A 49 4.946 -7.814 -3.398 1.00 0.00 H new ATOM 0 HA ASP A 49 3.688 -9.755 -1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.413 -8.423 -1.769 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.955 -9.498 -0.464 1.00 0.00 H new ATOM 735 N VAL A 50 3.961 -6.610 -0.843 1.00 0.00 N ATOM 736 CA VAL A 50 3.591 -5.586 0.131 1.00 0.00 C ATOM 737 C VAL A 50 3.017 -4.357 -0.578 1.00 0.00 C ATOM 738 O VAL A 50 3.760 -3.546 -1.131 1.00 0.00 O ATOM 739 CB VAL A 50 4.809 -5.169 0.982 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.963 -4.750 0.085 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.447 -4.054 1.954 1.00 0.00 C ATOM 0 H VAL A 50 4.279 -6.239 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 50 2.832 -6.009 0.789 1.00 0.00 H new ATOM 0 HB VAL A 50 5.122 -6.031 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.815 -4.459 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.247 -5.584 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.656 -3.906 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.325 -3.782 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.099 -3.184 1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.657 -4.396 2.623 1.00 0.00 H new ATOM 751 N LEU A 51 1.690 -4.236 -0.574 1.00 0.00 N ATOM 752 CA LEU A 51 1.021 -3.114 -1.235 1.00 0.00 C ATOM 753 C LEU A 51 0.888 -1.895 -0.325 1.00 0.00 C ATOM 754 O LEU A 51 0.601 -2.012 0.866 1.00 0.00 O ATOM 755 CB LEU A 51 -0.365 -3.534 -1.736 1.00 0.00 C ATOM 756 CG LEU A 51 -1.158 -2.432 -2.452 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.423 -1.967 -3.698 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.560 -2.924 -2.807 1.00 0.00 C ATOM 0 H LEU A 51 1.058 -4.898 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 51 1.648 -2.830 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.248 -4.377 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.950 -3.888 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.253 -1.583 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.001 -1.186 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.554 -1.573 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.294 -2.808 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.107 -2.129 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.486 -3.790 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.089 -3.204 -1.896 1.00 0.00 H new ATOM 770 N LEU A 52 1.064 -0.721 -0.921 1.00 0.00 N ATOM 771 CA LEU A 52 0.939 0.549 -0.218 1.00 0.00 C ATOM 772 C LEU A 52 -0.089 1.407 -0.944 1.00 0.00 C ATOM 773 O LEU A 52 0.100 1.730 -2.111 1.00 0.00 O ATOM 774 CB LEU A 52 2.282 1.278 -0.187 1.00 0.00 C ATOM 775 CG LEU A 52 3.280 0.789 0.857 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.707 0.920 0.333 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.105 1.567 2.153 1.00 0.00 C ATOM 0 H LEU A 52 1.298 -0.624 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 52 0.622 0.365 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.743 1.192 -1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.095 2.338 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 52 3.090 -0.265 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.407 0.567 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.819 0.322 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.916 1.965 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.823 1.210 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.274 2.628 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.093 1.422 2.531 1.00 0.00 H new ATOM 789 N SER A 53 -1.188 1.748 -0.280 1.00 0.00 N ATOM 790 CA SER A 53 -2.236 2.534 -0.930 1.00 0.00 C ATOM 791 C SER A 53 -2.377 3.937 -0.351 1.00 0.00 C ATOM 792 O SER A 53 -2.206 4.156 0.845 1.00 0.00 O ATOM 793 CB SER A 53 -3.577 1.804 -0.824 1.00 0.00 C ATOM 794 OG SER A 53 -4.045 1.416 -2.103 1.00 0.00 O ATOM 0 H SER A 53 -1.377 1.499 0.691 1.00 0.00 H new ATOM 0 HA SER A 53 -1.942 2.644 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.467 0.924 -0.190 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.311 2.452 -0.345 1.00 0.00 H new ATOM 0 HG SER A 53 -4.813 0.816 -2.002 1.00 0.00 H new ATOM 800 N ASP A 54 -2.733 4.880 -1.219 1.00 0.00 N ATOM 801 CA ASP A 54 -2.948 6.259 -0.809 1.00 0.00 C ATOM 802 C ASP A 54 -4.300 6.365 -0.124 1.00 0.00 C ATOM 803 O ASP A 54 -5.020 5.373 -0.007 1.00 0.00 O ATOM 804 CB ASP A 54 -2.918 7.195 -2.022 1.00 0.00 C ATOM 805 CG ASP A 54 -2.567 8.624 -1.655 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.951 8.833 -0.588 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.915 9.537 -2.435 1.00 0.00 O ATOM 0 H ASP A 54 -2.878 4.710 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.153 6.553 -0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.192 6.822 -2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.892 7.179 -2.511 1.00 0.00 H new ATOM 812 N ILE A 55 -4.652 7.558 0.326 1.00 0.00 N ATOM 813 CA ILE A 55 -5.924 7.753 0.985 1.00 0.00 C ATOM 814 C ILE A 55 -6.388 9.202 0.902 1.00 0.00 C ATOM 815 O ILE A 55 -6.279 9.956 1.868 1.00 0.00 O ATOM 816 CB ILE A 55 -5.849 7.312 2.452 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.111 7.718 3.220 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.613 7.891 3.110 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.598 6.658 4.179 1.00 0.00 C ATOM 0 H ILE A 55 -4.077 8.397 0.246 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.654 7.135 0.463 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.783 6.224 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.910 8.635 3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.904 7.944 2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.571 7.571 4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.724 7.540 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.654 8.979 3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.494 7.012 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.830 5.747 3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.821 6.448 4.915 1.00 0.00 H new ATOM 831 N ARG A 56 -6.918 9.573 -0.259 1.00 0.00 N ATOM 832 CA ARG A 56 -7.417 10.925 -0.483 1.00 0.00 C ATOM 833 C ARG A 56 -7.892 11.089 -1.923 1.00 0.00 C ATOM 834 O ARG A 56 -7.268 11.794 -2.716 1.00 0.00 O ATOM 835 CB ARG A 56 -6.330 11.959 -0.168 1.00 0.00 C ATOM 836 CG ARG A 56 -6.825 13.395 -0.213 1.00 0.00 C ATOM 837 CD ARG A 56 -5.836 14.343 0.447 1.00 0.00 C ATOM 838 NE ARG A 56 -4.490 14.198 -0.100 1.00 0.00 N ATOM 839 CZ ARG A 56 -3.988 14.970 -1.062 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.712 15.951 -1.589 1.00 0.00 N ATOM 841 NH2 ARG A 56 -2.753 14.761 -1.501 1.00 0.00 N ATOM 0 H ARG A 56 -7.013 8.953 -1.063 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.262 11.091 0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.922 11.755 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.513 11.843 -0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.983 13.695 -1.249 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.790 13.465 0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.173 15.371 0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.813 14.154 1.520 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.897 13.459 0.278 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.662 16.119 -1.257 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.318 16.537 -2.325 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.190 14.010 -1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.367 15.351 -2.238 1.00 0.00 H new ATOM 855 N MET A 57 -9.002 10.432 -2.260 1.00 0.00 N ATOM 856 CA MET A 57 -9.550 10.515 -3.615 1.00 0.00 C ATOM 857 C MET A 57 -11.023 10.095 -3.662 1.00 0.00 C ATOM 858 O MET A 57 -11.897 10.918 -3.934 1.00 0.00 O ATOM 859 CB MET A 57 -8.726 9.657 -4.584 1.00 0.00 C ATOM 860 CG MET A 57 -8.051 10.458 -5.688 1.00 0.00 C ATOM 861 SD MET A 57 -9.110 10.682 -7.129 1.00 0.00 S ATOM 862 CE MET A 57 -9.147 9.018 -7.789 1.00 0.00 C ATOM 0 H MET A 57 -9.535 9.842 -1.621 1.00 0.00 H new ATOM 0 HA MET A 57 -9.492 11.559 -3.924 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.964 9.118 -4.020 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.377 8.909 -5.036 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.762 11.434 -5.299 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.134 9.952 -5.991 1.00 0.00 H new ATOM 0 HE1 MET A 57 -9.217 9.059 -8.876 1.00 0.00 H new ATOM 0 HE2 MET A 57 -8.235 8.493 -7.504 1.00 0.00 H new ATOM 0 HE3 MET A 57 -10.011 8.487 -7.390 1.00 0.00 H new ATOM 872 N PRO A 58 -11.325 8.805 -3.411 1.00 0.00 N ATOM 873 CA PRO A 58 -12.704 8.294 -3.446 1.00 0.00 C ATOM 874 C PRO A 58 -13.593 8.902 -2.367 1.00 0.00 C ATOM 875 O PRO A 58 -13.170 9.784 -1.618 1.00 0.00 O ATOM 876 CB PRO A 58 -12.541 6.789 -3.210 1.00 0.00 C ATOM 877 CG PRO A 58 -11.225 6.651 -2.528 1.00 0.00 C ATOM 878 CD PRO A 58 -10.356 7.741 -3.086 1.00 0.00 C ATOM 0 HA PRO A 58 -13.194 8.545 -4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.349 6.396 -2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.559 6.237 -4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.332 6.751 -1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.789 5.670 -2.715 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.615 8.078 -2.361 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.810 7.409 -3.969 1.00 0.00 H new ATOM 886 N GLY A 59 -14.832 8.418 -2.296 1.00 0.00 N ATOM 887 CA GLY A 59 -15.774 8.916 -1.309 1.00 0.00 C ATOM 888 C GLY A 59 -15.265 8.759 0.108 1.00 0.00 C ATOM 889 O GLY A 59 -15.204 9.731 0.862 1.00 0.00 O ATOM 0 H GLY A 59 -15.200 7.688 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.977 9.969 -1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.720 8.384 -1.413 1.00 0.00 H new ATOM 893 N MET A 60 -14.891 7.536 0.474 1.00 0.00 N ATOM 894 CA MET A 60 -14.377 7.262 1.812 1.00 0.00 C ATOM 895 C MET A 60 -12.922 7.707 1.934 1.00 0.00 C ATOM 896 O MET A 60 -12.067 6.947 2.395 1.00 0.00 O ATOM 897 CB MET A 60 -14.496 5.770 2.132 1.00 0.00 C ATOM 898 CG MET A 60 -14.913 5.480 3.563 1.00 0.00 C ATOM 899 SD MET A 60 -16.588 4.825 3.685 1.00 0.00 S ATOM 900 CE MET A 60 -16.521 4.028 5.286 1.00 0.00 C ATOM 0 H MET A 60 -14.934 6.720 -0.137 1.00 0.00 H new ATOM 0 HA MET A 60 -14.974 7.827 2.528 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.221 5.320 1.454 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.537 5.289 1.939 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.216 4.766 4.002 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.843 6.396 4.150 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.487 3.573 5.507 1.00 0.00 H new ATOM 0 HE2 MET A 60 -15.751 3.257 5.277 1.00 0.00 H new ATOM 0 HE3 MET A 60 -16.285 4.768 6.051 1.00 0.00 H new ATOM 910 N ASP A 61 -12.654 8.944 1.509 1.00 0.00 N ATOM 911 CA ASP A 61 -11.311 9.517 1.553 1.00 0.00 C ATOM 912 C ASP A 61 -10.327 8.642 0.790 1.00 0.00 C ATOM 913 O ASP A 61 -9.871 8.995 -0.296 1.00 0.00 O ATOM 914 CB ASP A 61 -10.842 9.679 2.999 1.00 0.00 C ATOM 915 CG ASP A 61 -10.818 11.129 3.445 1.00 0.00 C ATOM 916 OD1 ASP A 61 -9.813 11.818 3.167 1.00 0.00 O ATOM 917 OD2 ASP A 61 -11.799 11.573 4.077 1.00 0.00 O ATOM 0 H ASP A 61 -13.360 9.573 1.127 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.350 10.499 1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.500 9.111 3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.844 9.254 3.103 1.00 0.00 H new ATOM 922 N GLY A 62 -10.012 7.499 1.373 1.00 0.00 N ATOM 923 CA GLY A 62 -9.092 6.574 0.753 1.00 0.00 C ATOM 924 C GLY A 62 -9.397 5.139 1.109 1.00 0.00 C ATOM 925 O GLY A 62 -9.238 4.242 0.282 1.00 0.00 O ATOM 0 H GLY A 62 -10.381 7.193 2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.133 6.694 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.075 6.815 1.062 1.00 0.00 H new ATOM 929 N LEU A 63 -9.847 4.915 2.343 1.00 0.00 N ATOM 930 CA LEU A 63 -10.175 3.567 2.778 1.00 0.00 C ATOM 931 C LEU A 63 -11.174 2.935 1.817 1.00 0.00 C ATOM 932 O LEU A 63 -11.264 1.714 1.719 1.00 0.00 O ATOM 933 CB LEU A 63 -10.697 3.535 4.221 1.00 0.00 C ATOM 934 CG LEU A 63 -9.967 4.461 5.200 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.650 5.816 5.280 1.00 0.00 C ATOM 936 CD2 LEU A 63 -9.865 3.824 6.578 1.00 0.00 C ATOM 0 H LEU A 63 -9.990 5.640 3.046 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.256 2.981 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.754 3.801 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.628 2.513 4.593 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.956 4.615 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.112 6.454 5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.652 6.281 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.677 5.686 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.343 4.501 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.866 3.627 6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.313 2.887 6.506 1.00 0.00 H new ATOM 948 N ALA A 64 -11.896 3.772 1.067 1.00 0.00 N ATOM 949 CA ALA A 64 -12.839 3.266 0.079 1.00 0.00 C ATOM 950 C ALA A 64 -12.109 2.299 -0.847 1.00 0.00 C ATOM 951 O ALA A 64 -12.654 1.278 -1.267 1.00 0.00 O ATOM 952 CB ALA A 64 -13.441 4.415 -0.719 1.00 0.00 C ATOM 0 H ALA A 64 -11.844 4.789 1.127 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.653 2.745 0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.143 4.020 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.964 5.092 -0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.647 4.957 -1.232 1.00 0.00 H new ATOM 958 N LEU A 65 -10.851 2.631 -1.126 1.00 0.00 N ATOM 959 CA LEU A 65 -9.994 1.810 -1.969 1.00 0.00 C ATOM 960 C LEU A 65 -9.833 0.421 -1.360 1.00 0.00 C ATOM 961 O LEU A 65 -9.863 -0.587 -2.065 1.00 0.00 O ATOM 962 CB LEU A 65 -8.624 2.481 -2.114 1.00 0.00 C ATOM 963 CG LEU A 65 -7.766 2.006 -3.288 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.449 0.525 -3.165 1.00 0.00 C ATOM 965 CD2 LEU A 65 -8.454 2.303 -4.612 1.00 0.00 C ATOM 0 H LEU A 65 -10.400 3.475 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.452 1.709 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.776 3.556 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.064 2.322 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.825 2.555 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.838 0.212 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.904 0.345 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.377 -0.046 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.827 1.957 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.414 1.788 -4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.615 3.377 -4.706 1.00 0.00 H new ATOM 977 N LEU A 66 -9.675 0.381 -0.037 1.00 0.00 N ATOM 978 CA LEU A 66 -9.523 -0.882 0.682 1.00 0.00 C ATOM 979 C LEU A 66 -10.684 -1.814 0.358 1.00 0.00 C ATOM 980 O LEU A 66 -10.495 -3.002 0.109 1.00 0.00 O ATOM 981 CB LEU A 66 -9.460 -0.639 2.191 1.00 0.00 C ATOM 982 CG LEU A 66 -8.104 -0.168 2.724 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.041 -1.230 2.494 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.695 1.143 2.071 1.00 0.00 C ATOM 0 H LEU A 66 -9.649 1.209 0.558 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.590 -1.347 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.213 0.104 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.731 -1.563 2.702 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.200 -0.002 3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.085 -0.877 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.325 -2.147 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.951 -1.429 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.729 1.459 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.620 1.004 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.442 1.906 2.288 1.00 0.00 H new ATOM 996 N LYS A 67 -11.889 -1.256 0.355 1.00 0.00 N ATOM 997 CA LYS A 67 -13.088 -2.028 0.048 1.00 0.00 C ATOM 998 C LYS A 67 -12.960 -2.682 -1.324 1.00 0.00 C ATOM 999 O LYS A 67 -13.289 -3.855 -1.503 1.00 0.00 O ATOM 1000 CB LYS A 67 -14.325 -1.128 0.085 1.00 0.00 C ATOM 1001 CG LYS A 67 -15.634 -1.897 0.152 1.00 0.00 C ATOM 1002 CD LYS A 67 -16.820 -0.964 0.336 1.00 0.00 C ATOM 1003 CE LYS A 67 -18.083 -1.732 0.692 1.00 0.00 C ATOM 1004 NZ LYS A 67 -18.382 -2.802 -0.300 1.00 0.00 N ATOM 0 H LYS A 67 -12.062 -0.272 0.562 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.198 -2.808 0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.257 -0.466 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.330 -0.495 -0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.764 -2.476 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.598 -2.608 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.598 -0.242 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.984 -0.397 -0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.971 -2.176 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.925 -1.041 0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.337 -3.176 -0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.330 -2.409 -1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.687 -3.570 -0.202 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.463 -1.919 -2.290 1.00 0.00 N ATOM 1019 CA GLN A 68 -12.275 -2.429 -3.642 1.00 0.00 C ATOM 1020 C GLN A 68 -11.303 -3.601 -3.630 1.00 0.00 C ATOM 1021 O GLN A 68 -11.434 -4.547 -4.407 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.739 -1.331 -4.562 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.500 -0.020 -4.467 1.00 0.00 C ATOM 1024 CD GLN A 68 -13.916 -0.133 -4.993 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.879 0.173 -4.290 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -14.049 -0.575 -6.238 1.00 0.00 N ATOM 0 H GLN A 68 -12.183 -0.946 -2.162 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.242 -2.764 -4.018 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.691 -1.149 -4.322 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.773 -1.685 -5.592 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.527 0.307 -3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.967 0.747 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.222 -0.817 -6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.978 -0.672 -6.648 1.00 0.00 H new ATOM 1035 N ILE A 69 -10.323 -3.519 -2.739 1.00 0.00 N ATOM 1036 CA ILE A 69 -9.310 -4.554 -2.607 1.00 0.00 C ATOM 1037 C ILE A 69 -9.931 -5.905 -2.280 1.00 0.00 C ATOM 1038 O ILE A 69 -9.504 -6.936 -2.796 1.00 0.00 O ATOM 1039 CB ILE A 69 -8.276 -4.176 -1.527 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.543 -2.894 -1.940 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -7.293 -5.316 -1.291 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.603 -2.359 -0.884 1.00 0.00 C ATOM 0 H ILE A 69 -10.210 -2.738 -2.092 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.804 -4.635 -3.569 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.798 -3.995 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.977 -3.088 -2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.280 -2.127 -2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.574 -5.024 -0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.836 -6.202 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.765 -5.539 -2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.123 -1.452 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.165 -2.131 0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.843 -3.107 -0.661 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.939 -5.893 -1.424 1.00 0.00 N ATOM 1055 CA LYS A 70 -11.613 -7.124 -1.035 1.00 0.00 C ATOM 1056 C LYS A 70 -12.419 -7.695 -2.193 1.00 0.00 C ATOM 1057 O LYS A 70 -12.618 -8.905 -2.291 1.00 0.00 O ATOM 1058 CB LYS A 70 -12.520 -6.893 0.179 1.00 0.00 C ATOM 1059 CG LYS A 70 -13.780 -6.097 -0.127 1.00 0.00 C ATOM 1060 CD LYS A 70 -15.027 -6.802 0.388 1.00 0.00 C ATOM 1061 CE LYS A 70 -15.511 -6.198 1.698 1.00 0.00 C ATOM 1062 NZ LYS A 70 -16.201 -7.204 2.552 1.00 0.00 N ATOM 0 H LYS A 70 -11.309 -5.049 -0.986 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.846 -7.848 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.806 -7.859 0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.952 -6.371 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.706 -5.109 0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.864 -5.947 -1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.818 -6.735 -0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.814 -7.861 0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.663 -5.782 2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.191 -5.373 1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.515 -6.753 3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.026 -7.583 2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.545 -7.979 2.774 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.882 -6.816 -3.067 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.669 -7.234 -4.215 1.00 0.00 C ATOM 1078 C GLN A 71 -12.802 -7.963 -5.235 1.00 0.00 C ATOM 1079 O GLN A 71 -13.251 -8.899 -5.897 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.349 -6.028 -4.864 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.779 -5.815 -4.398 1.00 0.00 C ATOM 1082 CD GLN A 71 -16.105 -4.354 -4.157 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -17.067 -3.822 -4.711 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -15.303 -3.697 -3.328 1.00 0.00 N ATOM 0 H GLN A 71 -12.727 -5.810 -3.003 1.00 0.00 H new ATOM 0 HA GLN A 71 -14.437 -7.924 -3.865 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.767 -5.132 -4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.343 -6.157 -5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.464 -6.217 -5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.944 -6.376 -3.478 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.517 -4.178 -2.891 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.473 -2.711 -3.128 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.562 -7.517 -5.359 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.619 -8.111 -6.301 1.00 0.00 C ATOM 1095 C ARG A 72 -9.641 -9.041 -5.600 1.00 0.00 C ATOM 1096 O ARG A 72 -9.702 -10.263 -5.749 1.00 0.00 O ATOM 1097 CB ARG A 72 -9.846 -7.017 -7.040 1.00 0.00 C ATOM 1098 CG ARG A 72 -10.627 -6.374 -8.175 1.00 0.00 C ATOM 1099 CD ARG A 72 -11.030 -4.947 -7.835 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.036 -4.086 -9.014 1.00 0.00 N ATOM 1101 CZ ARG A 72 -11.908 -4.204 -10.011 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -12.844 -5.144 -9.975 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -11.844 -3.380 -11.048 1.00 0.00 N ATOM 0 H ARG A 72 -11.181 -6.741 -4.817 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.195 -8.697 -7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.557 -6.245 -6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.926 -7.442 -7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.022 -6.376 -9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.519 -6.965 -8.385 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.021 -4.948 -7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.341 -4.542 -7.094 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.331 -3.352 -9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.897 -5.781 -9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.510 -5.230 -10.743 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.126 -2.656 -11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.513 -3.470 -11.813 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.733 -8.445 -4.847 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.712 -9.194 -4.121 1.00 0.00 C ATOM 1119 C HIS A 73 -7.925 -9.109 -2.609 1.00 0.00 C ATOM 1120 O HIS A 73 -7.174 -8.433 -1.907 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.316 -8.671 -4.481 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.098 -7.217 -4.167 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.112 -6.780 -3.313 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.727 -6.097 -4.604 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -5.141 -5.463 -3.237 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -6.113 -5.024 -4.009 1.00 0.00 N ATOM 0 H HIS A 73 -8.679 -7.434 -4.719 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.794 -10.240 -4.416 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.571 -9.261 -3.947 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.145 -8.830 -5.546 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.558 -6.057 -5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.480 -4.850 -2.643 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.368 -4.046 -4.143 1.00 0.00 H new ATOM 1135 N PRO A 74 -8.960 -9.789 -2.088 1.00 0.00 N ATOM 1136 CA PRO A 74 -9.272 -9.778 -0.652 1.00 0.00 C ATOM 1137 C PRO A 74 -8.301 -10.604 0.194 1.00 0.00 C ATOM 1138 O PRO A 74 -8.733 -11.423 1.005 1.00 0.00 O ATOM 1139 CB PRO A 74 -10.672 -10.397 -0.597 1.00 0.00 C ATOM 1140 CG PRO A 74 -10.738 -11.285 -1.791 1.00 0.00 C ATOM 1141 CD PRO A 74 -9.919 -10.610 -2.856 1.00 0.00 C ATOM 0 HA PRO A 74 -9.201 -8.771 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.820 -10.960 0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -11.446 -9.630 -0.630 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.342 -12.275 -1.563 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.768 -11.421 -2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.409 -11.335 -3.489 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.539 -9.996 -3.510 1.00 0.00 H new ATOM 1149 N MET A 75 -6.995 -10.382 0.025 1.00 0.00 N ATOM 1150 CA MET A 75 -6.000 -11.118 0.808 1.00 0.00 C ATOM 1151 C MET A 75 -4.667 -10.376 0.911 1.00 0.00 C ATOM 1152 O MET A 75 -4.017 -10.398 1.956 1.00 0.00 O ATOM 1153 CB MET A 75 -5.752 -12.510 0.211 1.00 0.00 C ATOM 1154 CG MET A 75 -6.925 -13.468 0.355 1.00 0.00 C ATOM 1155 SD MET A 75 -6.409 -15.145 0.782 1.00 0.00 S ATOM 1156 CE MET A 75 -5.519 -15.629 -0.697 1.00 0.00 C ATOM 0 H MET A 75 -6.606 -9.709 -0.636 1.00 0.00 H new ATOM 0 HA MET A 75 -6.415 -11.213 1.812 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.513 -12.402 -0.847 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.878 -12.949 0.692 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.602 -13.094 1.123 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.486 -13.492 -0.579 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.142 -16.645 -0.579 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.190 -15.589 -1.555 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.683 -14.948 -0.858 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.251 -9.749 -0.179 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.974 -9.029 -0.217 1.00 0.00 C ATOM 1168 C LEU A 76 -2.915 -7.904 0.828 1.00 0.00 C ATOM 1169 O LEU A 76 -3.834 -7.091 0.936 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.720 -8.482 -1.627 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.662 -7.377 -1.743 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.265 -7.974 -1.744 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.883 -6.547 -3.003 1.00 0.00 C ATOM 0 H LEU A 76 -4.776 -9.721 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.185 -9.737 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.421 -9.311 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.661 -8.098 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.760 -6.722 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.472 -7.175 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.103 -8.522 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.160 -8.654 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.122 -5.770 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.816 -7.191 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.870 -6.086 -2.967 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.822 -7.861 1.621 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.628 -6.852 2.678 1.00 0.00 C ATOM 1187 C PRO A 77 -1.407 -5.433 2.147 1.00 0.00 C ATOM 1188 O PRO A 77 -0.402 -5.145 1.496 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.367 -7.341 3.403 1.00 0.00 C ATOM 1190 CG PRO A 77 0.362 -8.152 2.390 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.698 -8.814 1.561 1.00 0.00 C ATOM 0 HA PRO A 77 -2.515 -6.771 3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.239 -6.504 3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.620 -7.937 4.280 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.005 -7.523 1.774 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.004 -8.892 2.869 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.364 -8.977 0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.975 -9.788 1.965 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.355 -4.554 2.458 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.301 -3.153 2.045 1.00 0.00 C ATOM 1201 C VAL A 78 -1.771 -2.257 3.172 1.00 0.00 C ATOM 1202 O VAL A 78 -1.934 -2.552 4.364 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.698 -2.630 1.642 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.583 -1.353 0.823 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.487 -3.688 0.879 1.00 0.00 C ATOM 0 H VAL A 78 -3.183 -4.792 3.004 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.627 -3.112 1.189 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.242 -2.402 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.579 -1.004 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.079 -0.587 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.009 -1.552 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.465 -3.289 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.946 -3.963 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.615 -4.570 1.507 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.145 -1.152 2.775 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.593 -0.187 3.720 1.00 0.00 C ATOM 1217 C ILE A 79 -0.921 1.232 3.270 1.00 0.00 C ATOM 1218 O ILE A 79 -0.467 1.675 2.215 1.00 0.00 O ATOM 1219 CB ILE A 79 0.935 -0.327 3.849 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.329 -1.787 4.074 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.458 0.547 4.978 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.250 -2.323 3.004 1.00 0.00 C ATOM 0 H ILE A 79 -1.007 -0.902 1.796 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.044 -0.389 4.692 1.00 0.00 H new ATOM 0 HB ILE A 79 1.387 0.008 2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.816 -1.880 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.428 -2.399 4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.540 0.435 5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.215 1.590 4.774 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.995 0.244 5.917 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.493 -3.363 3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.757 -2.260 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.166 -1.733 2.984 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.728 1.932 4.056 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.131 3.290 3.704 1.00 0.00 C ATOM 1236 C ILE A 80 -1.224 4.353 4.332 1.00 0.00 C ATOM 1237 O ILE A 80 -0.705 4.174 5.434 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.600 3.546 4.099 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.469 2.354 3.685 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.114 4.823 3.457 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.473 2.099 2.194 1.00 0.00 C ATOM 0 H ILE A 80 -2.115 1.587 4.935 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.031 3.374 2.622 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.653 3.664 5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.114 1.460 4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.492 2.527 4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.152 4.985 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.508 5.666 3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.051 4.736 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.108 1.241 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.857 2.978 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.457 1.894 1.857 1.00 0.00 H new ATOM 1253 N MET A 81 -1.024 5.454 3.598 1.00 0.00 N ATOM 1254 CA MET A 81 -0.158 6.550 4.054 1.00 0.00 C ATOM 1255 C MET A 81 -0.860 7.496 5.029 1.00 0.00 C ATOM 1256 O MET A 81 -0.199 8.286 5.695 1.00 0.00 O ATOM 1257 CB MET A 81 0.408 7.361 2.873 1.00 0.00 C ATOM 1258 CG MET A 81 -0.360 7.224 1.566 1.00 0.00 C ATOM 1259 SD MET A 81 0.421 6.068 0.421 1.00 0.00 S ATOM 1260 CE MET A 81 0.779 4.682 1.498 1.00 0.00 C ATOM 0 H MET A 81 -1.450 5.611 2.685 1.00 0.00 H new ATOM 0 HA MET A 81 0.664 6.068 4.584 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.431 8.414 3.154 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.440 7.054 2.703 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.375 6.889 1.779 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.440 8.202 1.091 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.527 4.042 1.031 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.160 5.050 2.450 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.132 4.109 1.669 1.00 0.00 H new ATOM 1270 N THR A 82 -2.181 7.426 5.125 1.00 0.00 N ATOM 1271 CA THR A 82 -2.909 8.292 6.054 1.00 0.00 C ATOM 1272 C THR A 82 -4.164 7.600 6.582 1.00 0.00 C ATOM 1273 O THR A 82 -4.639 6.629 5.996 1.00 0.00 O ATOM 1274 CB THR A 82 -3.262 9.626 5.393 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.176 10.104 4.618 1.00 0.00 O ATOM 1276 CG2 THR A 82 -3.625 10.708 6.388 1.00 0.00 C ATOM 0 H THR A 82 -2.766 6.791 4.582 1.00 0.00 H new ATOM 0 HA THR A 82 -2.256 8.495 6.902 1.00 0.00 H new ATOM 0 HB THR A 82 -4.132 9.419 4.770 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.333 9.897 3.673 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.864 11.628 5.854 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.490 10.391 6.971 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.782 10.885 7.056 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.702 8.109 7.688 1.00 0.00 N ATOM 1285 CA ALA A 83 -5.906 7.534 8.280 1.00 0.00 C ATOM 1286 C ALA A 83 -6.788 8.616 8.903 1.00 0.00 C ATOM 1287 O ALA A 83 -6.999 8.638 10.117 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.545 6.480 9.316 1.00 0.00 C ATOM 0 H ALA A 83 -4.326 8.914 8.189 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.473 7.056 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.457 6.064 9.745 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.972 5.684 8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.948 6.936 10.106 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.299 9.516 8.066 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.158 10.598 8.540 1.00 0.00 C ATOM 1296 C HIS A 84 -9.637 10.274 8.330 1.00 0.00 C ATOM 1297 O HIS A 84 -10.119 10.218 7.199 1.00 0.00 O ATOM 1298 CB HIS A 84 -7.805 11.918 7.843 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.577 11.800 6.363 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -6.841 12.719 5.643 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -7.992 10.873 5.465 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -6.817 12.365 4.370 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -7.506 11.249 4.236 1.00 0.00 N ATOM 0 H HIS A 84 -7.134 9.518 7.059 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.984 10.706 9.611 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.609 12.633 8.018 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.907 12.329 8.304 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.593 10.001 5.676 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.318 12.899 3.575 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.654 10.746 3.361 1.00 0.00 H new ATOM 1312 N SER A 85 -10.353 10.071 9.434 1.00 0.00 N ATOM 1313 CA SER A 85 -11.780 9.763 9.387 1.00 0.00 C ATOM 1314 C SER A 85 -12.052 8.472 8.622 1.00 0.00 C ATOM 1315 O SER A 85 -11.214 8.003 7.852 1.00 0.00 O ATOM 1316 CB SER A 85 -12.550 10.915 8.739 1.00 0.00 C ATOM 1317 OG SER A 85 -13.943 10.650 8.715 1.00 0.00 O ATOM 0 H SER A 85 -9.965 10.115 10.376 1.00 0.00 H new ATOM 0 HA SER A 85 -12.120 9.628 10.414 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.362 11.837 9.289 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.189 11.071 7.722 1.00 0.00 H new ATOM 0 HG SER A 85 -14.143 10.014 7.997 1.00 0.00 H new ATOM 1323 N ASP A 86 -13.239 7.910 8.836 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.642 6.680 8.165 1.00 0.00 C ATOM 1325 C ASP A 86 -12.719 5.515 8.529 1.00 0.00 C ATOM 1326 O ASP A 86 -12.674 4.505 7.827 1.00 0.00 O ATOM 1327 CB ASP A 86 -13.655 6.894 6.651 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.574 8.028 6.235 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.264 8.586 7.115 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -14.602 8.359 5.032 1.00 0.00 O ATOM 0 H ASP A 86 -13.940 8.290 9.472 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.646 6.424 8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.642 7.106 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.972 5.974 6.159 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.991 5.665 9.634 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.062 4.638 10.111 1.00 0.00 C ATOM 1337 C LEU A 87 -11.685 3.239 10.096 1.00 0.00 C ATOM 1338 O LEU A 87 -10.972 2.235 10.068 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.605 4.980 11.534 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.148 4.645 11.871 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.974 3.147 12.085 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.213 5.146 10.780 1.00 0.00 C ATOM 0 H LEU A 87 -12.027 6.497 10.223 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.210 4.626 9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.759 6.047 11.697 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.250 4.454 12.238 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.889 5.153 12.800 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.932 2.932 12.323 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.609 2.821 12.909 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.256 2.615 11.177 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.184 4.897 11.040 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.472 4.673 9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.312 6.227 10.684 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.010 3.178 10.128 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.724 1.901 10.137 1.00 0.00 C ATOM 1356 C ASP A 88 -13.205 0.943 9.064 1.00 0.00 C ATOM 1357 O ASP A 88 -12.910 -0.217 9.354 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.223 2.133 9.940 1.00 0.00 C ATOM 1359 CG ASP A 88 -15.852 2.876 11.102 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -15.618 4.097 11.222 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.581 2.239 11.890 1.00 0.00 O ATOM 0 H ASP A 88 -13.616 3.998 10.148 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.547 1.439 11.108 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.382 2.699 9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.723 1.173 9.814 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.101 1.420 7.829 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.627 0.582 6.737 1.00 0.00 C ATOM 1368 C ALA A 89 -11.156 0.214 6.912 1.00 0.00 C ATOM 1369 O ALA A 89 -10.678 -0.760 6.329 1.00 0.00 O ATOM 1370 CB ALA A 89 -12.854 1.265 5.397 1.00 0.00 C ATOM 0 H ALA A 89 -13.337 2.376 7.561 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.204 -0.343 6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.493 0.622 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.919 1.452 5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.313 2.211 5.375 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.443 0.990 7.724 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.029 0.730 7.975 1.00 0.00 C ATOM 1378 C ALA A 90 -8.836 -0.608 8.676 1.00 0.00 C ATOM 1379 O ALA A 90 -8.120 -1.480 8.184 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.417 1.846 8.808 1.00 0.00 C ATOM 0 H ALA A 90 -10.819 1.800 8.217 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.522 0.692 7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.363 1.633 8.984 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.512 2.792 8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.937 1.914 9.763 1.00 0.00 H new ATOM 1386 N VAL A 91 -9.476 -0.763 9.832 1.00 0.00 N ATOM 1387 CA VAL A 91 -9.365 -1.996 10.599 1.00 0.00 C ATOM 1388 C VAL A 91 -9.927 -3.182 9.824 1.00 0.00 C ATOM 1389 O VAL A 91 -9.321 -4.254 9.790 1.00 0.00 O ATOM 1390 CB VAL A 91 -10.072 -1.895 11.964 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -9.621 -3.028 12.874 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -9.796 -0.545 12.613 1.00 0.00 C ATOM 0 H VAL A 91 -10.074 -0.053 10.255 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.301 -2.154 10.775 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.147 -1.982 11.805 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.128 -2.946 13.836 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.869 -3.985 12.414 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.543 -2.966 13.025 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.304 -0.494 13.576 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.723 -0.426 12.762 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.163 0.252 11.966 1.00 0.00 H new ATOM 1402 N SER A 92 -11.077 -2.986 9.190 1.00 0.00 N ATOM 1403 CA SER A 92 -11.701 -4.046 8.406 1.00 0.00 C ATOM 1404 C SER A 92 -10.761 -4.515 7.300 1.00 0.00 C ATOM 1405 O SER A 92 -10.768 -5.686 6.909 1.00 0.00 O ATOM 1406 CB SER A 92 -13.017 -3.553 7.799 1.00 0.00 C ATOM 1407 OG SER A 92 -14.012 -3.395 8.795 1.00 0.00 O ATOM 0 H SER A 92 -11.595 -2.107 9.203 1.00 0.00 H new ATOM 0 HA SER A 92 -11.910 -4.886 9.068 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.853 -2.603 7.291 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.362 -4.262 7.046 1.00 0.00 H new ATOM 0 HG SER A 92 -14.842 -3.078 8.381 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.949 -3.592 6.801 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.003 -3.901 5.742 1.00 0.00 C ATOM 1415 C ALA A 93 -7.967 -4.915 6.203 1.00 0.00 C ATOM 1416 O ALA A 93 -7.641 -5.858 5.480 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.330 -2.630 5.253 1.00 0.00 C ATOM 0 H ALA A 93 -9.928 -2.622 7.115 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.555 -4.347 4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.624 -2.874 4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.084 -1.944 4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.798 -2.159 6.080 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.455 -4.722 7.410 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.453 -5.633 7.966 1.00 0.00 C ATOM 1425 C TYR A 94 -7.009 -7.049 8.056 1.00 0.00 C ATOM 1426 O TYR A 94 -6.257 -8.022 8.111 1.00 0.00 O ATOM 1427 CB TYR A 94 -5.997 -5.189 9.362 1.00 0.00 C ATOM 1428 CG TYR A 94 -5.805 -3.696 9.527 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.245 -2.925 8.520 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -6.183 -3.061 10.703 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.068 -1.565 8.675 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -6.008 -1.700 10.866 1.00 0.00 C ATOM 1433 CZ TYR A 94 -5.451 -0.956 9.851 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.279 0.399 10.014 1.00 0.00 O ATOM 0 H TYR A 94 -7.712 -3.949 8.024 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.595 -5.613 7.294 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.731 -5.529 10.093 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.058 -5.689 9.597 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.942 -3.397 7.597 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.621 -3.640 11.503 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.631 -0.981 7.879 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.307 -1.222 11.787 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.630 0.870 9.230 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.331 -7.153 8.082 1.00 0.00 N ATOM 1445 CA GLN A 95 -8.991 -8.448 8.181 1.00 0.00 C ATOM 1446 C GLN A 95 -8.969 -9.179 6.843 1.00 0.00 C ATOM 1447 O GLN A 95 -8.824 -10.400 6.795 1.00 0.00 O ATOM 1448 CB GLN A 95 -10.434 -8.275 8.691 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.510 -8.356 7.611 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.660 -7.402 7.849 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.062 -7.160 8.987 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.195 -6.854 6.765 1.00 0.00 N ATOM 0 H GLN A 95 -8.967 -6.357 8.036 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.442 -9.058 8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.633 -9.041 9.441 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.514 -7.310 9.192 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.061 -8.140 6.642 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.894 -9.375 7.564 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.827 -7.085 5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.974 -6.201 6.855 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.138 -8.430 5.757 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.158 -9.019 4.430 1.00 0.00 C ATOM 1463 C GLN A 96 -7.825 -8.862 3.703 1.00 0.00 C ATOM 1464 O GLN A 96 -7.597 -9.508 2.679 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.283 -8.409 3.593 1.00 0.00 C ATOM 1466 CG GLN A 96 -10.113 -6.920 3.323 1.00 0.00 C ATOM 1467 CD GLN A 96 -9.156 -6.632 2.182 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -8.666 -7.544 1.517 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -8.888 -5.351 1.948 1.00 0.00 N ATOM 0 H GLN A 96 -9.262 -7.418 5.774 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.336 -10.087 4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.341 -8.937 2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.232 -8.569 4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.085 -6.484 3.094 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.750 -6.431 4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.317 -4.627 2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.254 -5.092 1.192 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.944 -8.008 4.219 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.663 -7.809 3.575 1.00 0.00 C ATOM 1480 C GLY A 97 -5.144 -6.397 3.736 1.00 0.00 C ATOM 1481 O GLY A 97 -5.312 -5.560 2.849 1.00 0.00 O ATOM 0 H GLY A 97 -7.095 -7.456 5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.938 -8.508 3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.754 -8.040 2.514 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.514 -6.132 4.872 1.00 0.00 N ATOM 1486 CA ALA A 98 -3.965 -4.814 5.150 1.00 0.00 C ATOM 1487 C ALA A 98 -3.057 -4.831 6.373 1.00 0.00 C ATOM 1488 O ALA A 98 -3.509 -5.018 7.502 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.086 -3.802 5.307 1.00 0.00 C ATOM 0 H ALA A 98 -4.371 -6.814 5.617 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.349 -4.517 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.663 -2.819 5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.669 -3.759 4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.733 -4.100 6.132 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.763 -4.639 6.128 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.769 -4.634 7.193 1.00 0.00 C ATOM 1497 C PHE A 99 -1.128 -3.618 8.266 1.00 0.00 C ATOM 1498 O PHE A 99 -1.135 -3.940 9.455 1.00 0.00 O ATOM 1499 CB PHE A 99 0.620 -4.325 6.628 1.00 0.00 C ATOM 1500 CG PHE A 99 1.713 -4.378 7.657 1.00 0.00 C ATOM 1501 CD1 PHE A 99 1.782 -5.426 8.562 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.677 -3.381 7.717 1.00 0.00 C ATOM 1503 CE1 PHE A 99 2.789 -5.479 9.508 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.685 -3.430 8.662 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.742 -4.480 9.558 1.00 0.00 C ATOM 0 H PHE A 99 -1.379 -4.484 5.196 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.756 -5.626 7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.846 -5.036 5.833 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.607 -3.334 6.175 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.040 -6.210 8.528 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.639 -2.558 7.018 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.831 -6.301 10.207 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.428 -2.647 8.700 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.530 -4.520 10.296 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.427 -2.387 7.851 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.783 -1.341 8.809 1.00 0.00 C ATOM 1517 C ASP A 100 -1.941 0.021 8.134 1.00 0.00 C ATOM 1518 O ASP A 100 -2.101 0.112 6.917 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.728 -1.252 9.919 1.00 0.00 C ATOM 1520 CG ASP A 100 -1.338 -1.354 11.303 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -2.143 -0.470 11.663 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -1.010 -2.317 12.027 1.00 0.00 O ATOM 0 H ASP A 100 -1.430 -2.093 6.874 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.745 -1.613 9.243 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.003 -2.050 9.787 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.190 -0.308 9.830 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.891 1.080 8.944 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.024 2.444 8.448 1.00 0.00 C ATOM 1529 C TYR A 101 -0.854 3.301 8.928 1.00 0.00 C ATOM 1530 O TYR A 101 -0.529 3.317 10.115 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.344 3.062 8.921 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.470 2.965 7.917 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.031 1.739 7.584 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.974 4.103 7.307 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.064 1.651 6.673 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.006 4.024 6.395 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.549 2.797 6.081 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.580 2.715 5.173 1.00 0.00 O ATOM 0 H TYR A 101 -1.758 1.014 9.953 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.019 2.412 7.358 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.652 2.570 9.844 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.175 4.112 9.160 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.652 0.839 8.046 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.552 5.067 7.550 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.490 0.690 6.426 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.387 4.921 5.929 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.847 1.778 5.065 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.228 4.012 7.999 1.00 0.00 N ATOM 1549 CA LEU A 102 0.903 4.876 8.322 1.00 0.00 C ATOM 1550 C LEU A 102 0.489 6.340 8.224 1.00 0.00 C ATOM 1551 O LEU A 102 -0.286 6.701 7.351 1.00 0.00 O ATOM 1552 CB LEU A 102 2.063 4.587 7.360 1.00 0.00 C ATOM 1553 CG LEU A 102 3.292 5.497 7.496 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.319 4.877 8.435 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.911 5.760 6.126 1.00 0.00 C ATOM 0 H LEU A 102 -0.485 4.008 7.012 1.00 0.00 H new ATOM 0 HA LEU A 102 1.228 4.675 9.343 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.382 3.555 7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.690 4.664 6.339 1.00 0.00 H new ATOM 0 HG LEU A 102 2.971 6.448 7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.182 5.538 8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.874 4.737 9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.637 3.912 8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.781 6.407 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.217 4.815 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.178 6.247 5.483 1.00 0.00 H new ATOM 1567 N PRO A 103 0.989 7.208 9.120 1.00 0.00 N ATOM 1568 CA PRO A 103 0.650 8.636 9.101 1.00 0.00 C ATOM 1569 C PRO A 103 1.040 9.284 7.771 1.00 0.00 C ATOM 1570 O PRO A 103 1.806 8.705 7.000 1.00 0.00 O ATOM 1571 CB PRO A 103 1.461 9.221 10.267 1.00 0.00 C ATOM 1572 CG PRO A 103 2.518 8.208 10.553 1.00 0.00 C ATOM 1573 CD PRO A 103 1.913 6.877 10.215 1.00 0.00 C ATOM 0 HA PRO A 103 -0.420 8.814 9.204 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.899 10.183 9.999 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.831 9.390 11.140 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.410 8.395 9.955 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.822 8.245 11.599 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.669 6.157 9.903 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.391 6.442 11.067 1.00 0.00 H new ATOM 1581 N LYS A 104 0.494 10.473 7.494 1.00 0.00 N ATOM 1582 CA LYS A 104 0.763 11.187 6.237 1.00 0.00 C ATOM 1583 C LYS A 104 2.202 11.008 5.753 1.00 0.00 C ATOM 1584 O LYS A 104 2.426 10.707 4.580 1.00 0.00 O ATOM 1585 CB LYS A 104 0.439 12.674 6.366 1.00 0.00 C ATOM 1586 CG LYS A 104 -0.310 13.231 5.162 1.00 0.00 C ATOM 1587 CD LYS A 104 0.474 13.035 3.866 1.00 0.00 C ATOM 1588 CE LYS A 104 -0.192 12.014 2.949 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.807 11.227 2.167 1.00 0.00 N ATOM 0 H LYS A 104 -0.139 10.964 8.125 1.00 0.00 H new ATOM 0 HA LYS A 104 0.107 10.742 5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.159 12.832 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.366 13.231 6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.280 12.740 5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.503 14.293 5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.560 13.989 3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.487 12.707 4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.802 11.335 3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.865 12.528 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.324 10.457 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.279 11.850 1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.515 10.825 2.814 1.00 0.00 H new ATOM 1603 N PRO A 105 3.207 11.182 6.633 1.00 0.00 N ATOM 1604 CA PRO A 105 4.608 11.022 6.245 1.00 0.00 C ATOM 1605 C PRO A 105 4.804 9.740 5.448 1.00 0.00 C ATOM 1606 O PRO A 105 3.930 8.872 5.444 1.00 0.00 O ATOM 1607 CB PRO A 105 5.335 10.954 7.586 1.00 0.00 C ATOM 1608 CG PRO A 105 4.487 11.762 8.505 1.00 0.00 C ATOM 1609 CD PRO A 105 3.066 11.550 8.054 1.00 0.00 C ATOM 0 HA PRO A 105 4.973 11.825 5.605 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.432 9.926 7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.343 11.362 7.513 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.620 11.444 9.539 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.758 12.817 8.459 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.577 10.762 8.626 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.467 12.452 8.177 1.00 0.00 H new ATOM 1617 N PHE A 106 5.921 9.630 4.748 1.00 0.00 N ATOM 1618 CA PHE A 106 6.168 8.456 3.928 1.00 0.00 C ATOM 1619 C PHE A 106 7.634 8.377 3.505 1.00 0.00 C ATOM 1620 O PHE A 106 8.456 7.811 4.224 1.00 0.00 O ATOM 1621 CB PHE A 106 5.234 8.488 2.707 1.00 0.00 C ATOM 1622 CG PHE A 106 4.825 7.134 2.200 1.00 0.00 C ATOM 1623 CD1 PHE A 106 3.947 6.346 2.924 1.00 0.00 C ATOM 1624 CD2 PHE A 106 5.307 6.660 0.992 1.00 0.00 C ATOM 1625 CE1 PHE A 106 3.558 5.107 2.453 1.00 0.00 C ATOM 1626 CE2 PHE A 106 4.924 5.422 0.516 1.00 0.00 C ATOM 1627 CZ PHE A 106 4.047 4.644 1.247 1.00 0.00 C ATOM 0 H PHE A 106 6.663 10.330 4.730 1.00 0.00 H new ATOM 0 HA PHE A 106 5.958 7.560 4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.337 9.051 2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.729 9.030 1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.562 6.704 3.867 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.990 7.266 0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.872 4.501 3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.309 5.062 -0.427 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.744 3.676 0.876 1.00 0.00 H new ATOM 1637 N ASP A 107 7.967 8.935 2.339 1.00 0.00 N ATOM 1638 CA ASP A 107 9.338 8.902 1.838 1.00 0.00 C ATOM 1639 C ASP A 107 9.960 7.523 2.061 1.00 0.00 C ATOM 1640 O ASP A 107 9.285 6.588 2.484 1.00 0.00 O ATOM 1641 CB ASP A 107 10.183 9.994 2.509 1.00 0.00 C ATOM 1642 CG ASP A 107 10.609 9.635 3.922 1.00 0.00 C ATOM 1643 OD1 ASP A 107 9.784 9.785 4.848 1.00 0.00 O ATOM 1644 OD2 ASP A 107 11.768 9.207 4.100 1.00 0.00 O ATOM 0 H ASP A 107 7.306 9.414 1.727 1.00 0.00 H new ATOM 0 HA ASP A 107 9.317 9.096 0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.071 10.180 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.613 10.923 2.533 1.00 0.00 H new ATOM 1649 N ILE A 108 11.239 7.396 1.770 1.00 0.00 N ATOM 1650 CA ILE A 108 11.923 6.126 1.949 1.00 0.00 C ATOM 1651 C ILE A 108 12.044 5.762 3.417 1.00 0.00 C ATOM 1652 O ILE A 108 11.763 4.634 3.821 1.00 0.00 O ATOM 1653 CB ILE A 108 13.301 6.144 1.253 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.123 5.815 -0.227 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.301 5.181 1.892 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.878 6.427 -0.832 1.00 0.00 C ATOM 0 H ILE A 108 11.825 8.150 1.411 1.00 0.00 H new ATOM 0 HA ILE A 108 11.320 5.351 1.476 1.00 0.00 H new ATOM 0 HB ILE A 108 13.715 7.145 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.996 6.166 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.083 4.733 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.251 5.237 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.453 5.454 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.914 4.164 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.813 6.154 -1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.998 6.057 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.925 7.512 -0.741 1.00 0.00 H new ATOM 1668 N ASP A 109 12.475 6.721 4.203 1.00 0.00 N ATOM 1669 CA ASP A 109 12.655 6.510 5.629 1.00 0.00 C ATOM 1670 C ASP A 109 11.402 5.921 6.276 1.00 0.00 C ATOM 1671 O ASP A 109 11.468 4.871 6.907 1.00 0.00 O ATOM 1672 CB ASP A 109 13.032 7.824 6.317 1.00 0.00 C ATOM 1673 CG ASP A 109 13.411 7.630 7.772 1.00 0.00 C ATOM 1674 OD1 ASP A 109 12.503 7.392 8.596 1.00 0.00 O ATOM 1675 OD2 ASP A 109 14.617 7.714 8.088 1.00 0.00 O ATOM 0 H ASP A 109 12.710 7.660 3.882 1.00 0.00 H new ATOM 0 HA ASP A 109 13.465 5.792 5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.866 8.282 5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.194 8.518 6.253 1.00 0.00 H new ATOM 1680 N GLU A 110 10.272 6.614 6.147 1.00 0.00 N ATOM 1681 CA GLU A 110 9.027 6.167 6.754 1.00 0.00 C ATOM 1682 C GLU A 110 8.340 5.052 5.971 1.00 0.00 C ATOM 1683 O GLU A 110 7.632 4.230 6.557 1.00 0.00 O ATOM 1684 CB GLU A 110 8.068 7.349 6.931 1.00 0.00 C ATOM 1685 CG GLU A 110 8.699 8.552 7.611 1.00 0.00 C ATOM 1686 CD GLU A 110 8.501 8.542 9.114 1.00 0.00 C ATOM 1687 OE1 GLU A 110 8.488 7.442 9.705 1.00 0.00 O ATOM 1688 OE2 GLU A 110 8.360 9.636 9.701 1.00 0.00 O ATOM 0 H GLU A 110 10.197 7.488 5.626 1.00 0.00 H new ATOM 0 HA GLU A 110 9.290 5.752 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.693 7.651 5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.207 7.023 7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.766 8.572 7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.270 9.465 7.198 1.00 0.00 H new ATOM 1695 N ALA A 111 8.531 5.010 4.659 1.00 0.00 N ATOM 1696 CA ALA A 111 7.895 3.977 3.858 1.00 0.00 C ATOM 1697 C ALA A 111 8.705 2.691 3.882 1.00 0.00 C ATOM 1698 O ALA A 111 8.182 1.634 4.235 1.00 0.00 O ATOM 1699 CB ALA A 111 7.659 4.457 2.438 1.00 0.00 C ATOM 0 H ALA A 111 9.110 5.667 4.136 1.00 0.00 H new ATOM 0 HA ALA A 111 6.922 3.761 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.182 3.665 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.012 5.334 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.613 4.717 1.979 1.00 0.00 H new ATOM 1705 N VAL A 112 9.984 2.776 3.527 1.00 0.00 N ATOM 1706 CA VAL A 112 10.837 1.596 3.546 1.00 0.00 C ATOM 1707 C VAL A 112 10.848 0.980 4.935 1.00 0.00 C ATOM 1708 O VAL A 112 10.947 -0.236 5.098 1.00 0.00 O ATOM 1709 CB VAL A 112 12.279 1.910 3.131 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.088 0.624 3.049 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.298 2.652 1.808 1.00 0.00 C ATOM 0 H VAL A 112 10.445 3.635 3.228 1.00 0.00 H new ATOM 0 HA VAL A 112 10.421 0.895 2.822 1.00 0.00 H new ATOM 0 HB VAL A 112 12.734 2.554 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.111 0.856 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.094 0.135 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.640 -0.042 2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.329 2.868 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.833 2.036 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.746 3.586 1.907 1.00 0.00 H new ATOM 1721 N ALA A 113 10.727 1.836 5.933 1.00 0.00 N ATOM 1722 CA ALA A 113 10.698 1.398 7.317 1.00 0.00 C ATOM 1723 C ALA A 113 9.543 0.436 7.535 1.00 0.00 C ATOM 1724 O ALA A 113 9.710 -0.664 8.063 1.00 0.00 O ATOM 1725 CB ALA A 113 10.533 2.600 8.228 1.00 0.00 C ATOM 0 H ALA A 113 10.647 2.845 5.810 1.00 0.00 H new ATOM 0 HA ALA A 113 11.634 0.890 7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.511 2.269 9.266 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.369 3.284 8.082 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.600 3.111 7.991 1.00 0.00 H new ATOM 1731 N LEU A 114 8.365 0.894 7.141 1.00 0.00 N ATOM 1732 CA LEU A 114 7.142 0.128 7.296 1.00 0.00 C ATOM 1733 C LEU A 114 7.026 -1.020 6.294 1.00 0.00 C ATOM 1734 O LEU A 114 6.277 -1.968 6.524 1.00 0.00 O ATOM 1735 CB LEU A 114 5.942 1.063 7.157 1.00 0.00 C ATOM 1736 CG LEU A 114 4.582 0.430 7.460 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.468 0.087 8.937 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.467 1.370 7.048 1.00 0.00 C ATOM 0 H LEU A 114 8.232 1.807 6.705 1.00 0.00 H new ATOM 0 HA LEU A 114 7.164 -0.324 8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.085 1.913 7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.923 1.455 6.140 1.00 0.00 H new ATOM 0 HG LEU A 114 4.493 -0.493 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.494 -0.362 9.132 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.254 -0.618 9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.575 0.995 9.531 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.504 0.910 7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.557 2.305 7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.537 1.572 5.979 1.00 0.00 H new ATOM 1750 N VAL A 115 7.750 -0.942 5.179 1.00 0.00 N ATOM 1751 CA VAL A 115 7.671 -2.000 4.176 1.00 0.00 C ATOM 1752 C VAL A 115 8.512 -3.217 4.555 1.00 0.00 C ATOM 1753 O VAL A 115 8.028 -4.349 4.522 1.00 0.00 O ATOM 1754 CB VAL A 115 8.055 -1.517 2.755 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.558 -1.355 2.593 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.511 -2.483 1.715 1.00 0.00 C ATOM 0 H VAL A 115 8.384 -0.176 4.951 1.00 0.00 H new ATOM 0 HA VAL A 115 6.622 -2.295 4.154 1.00 0.00 H new ATOM 0 HB VAL A 115 7.607 -0.534 2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.780 -1.015 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.924 -0.621 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.048 -2.312 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.785 -2.137 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.932 -3.474 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.425 -2.532 1.796 1.00 0.00 H new ATOM 1766 N GLU A 116 9.770 -2.981 4.908 1.00 0.00 N ATOM 1767 CA GLU A 116 10.672 -4.061 5.284 1.00 0.00 C ATOM 1768 C GLU A 116 10.209 -4.738 6.570 1.00 0.00 C ATOM 1769 O GLU A 116 10.267 -5.961 6.694 1.00 0.00 O ATOM 1770 CB GLU A 116 12.096 -3.525 5.440 1.00 0.00 C ATOM 1771 CG GLU A 116 12.728 -3.106 4.121 1.00 0.00 C ATOM 1772 CD GLU A 116 14.116 -2.523 4.296 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.421 -2.037 5.404 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.899 -2.551 3.322 1.00 0.00 O ATOM 0 H GLU A 116 10.188 -2.051 4.941 1.00 0.00 H new ATOM 0 HA GLU A 116 10.663 -4.809 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.083 -2.671 6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.716 -4.291 5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.782 -3.970 3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.088 -2.370 3.634 1.00 0.00 H new ATOM 1781 N ARG A 117 9.738 -3.939 7.522 1.00 0.00 N ATOM 1782 CA ARG A 117 9.256 -4.473 8.788 1.00 0.00 C ATOM 1783 C ARG A 117 8.005 -5.316 8.569 1.00 0.00 C ATOM 1784 O ARG A 117 7.720 -6.239 9.332 1.00 0.00 O ATOM 1785 CB ARG A 117 8.964 -3.337 9.775 1.00 0.00 C ATOM 1786 CG ARG A 117 7.745 -2.506 9.412 1.00 0.00 C ATOM 1787 CD ARG A 117 7.424 -1.488 10.494 1.00 0.00 C ATOM 1788 NE ARG A 117 8.364 -0.370 10.493 1.00 0.00 N ATOM 1789 CZ ARG A 117 9.486 -0.342 11.209 1.00 0.00 C ATOM 1790 NH1 ARG A 117 9.826 -1.379 11.966 1.00 0.00 N ATOM 1791 NH2 ARG A 117 10.274 0.722 11.163 1.00 0.00 N ATOM 0 H ARG A 117 9.680 -2.924 7.440 1.00 0.00 H new ATOM 0 HA ARG A 117 10.035 -5.108 9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.820 -3.760 10.769 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.834 -2.683 9.830 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.922 -1.991 8.468 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.887 -3.162 9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 117 6.412 -1.110 10.347 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.444 -1.977 11.468 1.00 0.00 H new ATOM 0 HE ARG A 117 8.148 0.438 9.909 1.00 0.00 H new ATOM 0 HH11 ARG A 117 9.226 -2.203 12.001 1.00 0.00 H new ATOM 0 HH12 ARG A 117 10.687 -1.351 12.512 1.00 0.00 H new ATOM 0 HH21 ARG A 117 10.021 1.519 10.579 1.00 0.00 H new ATOM 0 HH22 ARG A 117 11.134 0.744 11.711 1.00 0.00 H new ATOM 1805 N ALA A 118 7.265 -4.991 7.514 1.00 0.00 N ATOM 1806 CA ALA A 118 6.046 -5.713 7.179 1.00 0.00 C ATOM 1807 C ALA A 118 6.363 -7.117 6.677 1.00 0.00 C ATOM 1808 O ALA A 118 5.817 -8.102 7.175 1.00 0.00 O ATOM 1809 CB ALA A 118 5.248 -4.947 6.135 1.00 0.00 C ATOM 0 H ALA A 118 7.491 -4.229 6.875 1.00 0.00 H new ATOM 0 HA ALA A 118 5.446 -5.803 8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.339 -5.499 5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.983 -3.965 6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.849 -4.827 5.234 1.00 0.00 H new ATOM 1815 N ILE A 119 7.252 -7.203 5.691 1.00 0.00 N ATOM 1816 CA ILE A 119 7.643 -8.487 5.125 1.00 0.00 C ATOM 1817 C ILE A 119 8.373 -9.337 6.153 1.00 0.00 C ATOM 1818 O ILE A 119 8.287 -10.564 6.141 1.00 0.00 O ATOM 1819 CB ILE A 119 8.550 -8.306 3.892 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.932 -7.313 2.909 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.801 -9.640 3.208 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.952 -6.419 2.246 1.00 0.00 C ATOM 0 H ILE A 119 7.714 -6.398 5.269 1.00 0.00 H new ATOM 0 HA ILE A 119 6.726 -8.991 4.822 1.00 0.00 H new ATOM 0 HB ILE A 119 9.506 -7.907 4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.387 -7.863 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.205 -6.695 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.443 -9.489 2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.288 -10.321 3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.852 -10.068 2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.448 -5.738 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.480 -5.844 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.665 -7.029 1.692 1.00 0.00 H new ATOM 1834 N SER A 120 9.093 -8.669 7.042 1.00 0.00 N ATOM 1835 CA SER A 120 9.847 -9.348 8.086 1.00 0.00 C ATOM 1836 C SER A 120 8.910 -9.996 9.099 1.00 0.00 C ATOM 1837 O SER A 120 9.122 -11.133 9.517 1.00 0.00 O ATOM 1838 CB SER A 120 10.780 -8.362 8.793 1.00 0.00 C ATOM 1839 OG SER A 120 11.962 -9.003 9.253 1.00 0.00 O ATOM 0 H SER A 120 9.171 -7.652 7.061 1.00 0.00 H new ATOM 0 HA SER A 120 10.444 -10.131 7.619 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.045 -7.555 8.109 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.260 -7.907 9.636 1.00 0.00 H new ATOM 0 HG SER A 120 12.538 -8.347 9.698 1.00 0.00 H new ATOM 1845 N HIS A 121 7.873 -9.263 9.490 1.00 0.00 N ATOM 1846 CA HIS A 121 6.903 -9.766 10.454 1.00 0.00 C ATOM 1847 C HIS A 121 6.196 -11.010 9.924 1.00 0.00 C ATOM 1848 O HIS A 121 5.699 -11.830 10.696 1.00 0.00 O ATOM 1849 CB HIS A 121 5.875 -8.683 10.790 1.00 0.00 C ATOM 1850 CG HIS A 121 6.298 -7.781 11.906 1.00 0.00 C ATOM 1851 ND1 HIS A 121 7.617 -7.467 12.162 1.00 0.00 N ATOM 1852 CD2 HIS A 121 5.569 -7.122 12.838 1.00 0.00 C ATOM 1853 CE1 HIS A 121 7.680 -6.656 13.204 1.00 0.00 C ATOM 1854 NE2 HIS A 121 6.451 -6.431 13.631 1.00 0.00 N ATOM 0 H HIS A 121 7.683 -8.319 9.154 1.00 0.00 H new ATOM 0 HA HIS A 121 7.442 -10.039 11.361 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.688 -8.083 9.900 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.932 -9.160 11.057 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.494 -7.137 12.939 1.00 0.00 H new ATOM 0 HE1 HIS A 121 8.583 -6.247 13.633 1.00 0.00 H new ATOM 0 HE2 HIS A 121 6.198 -5.839 14.422 1.00 0.00 H new