USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 ASN : amide:sc= 0.319 K(o=-1,f=-13!) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.34 K(o=-1,f=-5.2!) USER MOD Set 2.1: A 16 SER OG : rot 180:sc= -1.02 USER MOD Set 2.2: A 56 GLN : amide:sc= 0.675 K(o=-0.35,f=-5.7!) USER MOD Set 3.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 49 HIS : no HD1:sc= -2.82! K(o=-2.8!,f=-1.1) USER MOD Single : A 7 ASN : amide:sc= -0.94 K(o=-0.94,f=-6.2!) USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= -0.0656 (180deg=-0.414) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc=-0.00888 USER MOD Single : A 14 MET CE :methyl -179:sc= -1.23 (180deg=-1.23) USER MOD Single : A 15 ASN : amide:sc= 1.07 K(o=1.1,f=-3.3!) USER MOD Single : A 22 ASN : amide:sc= -0.485 K(o=-0.49,f=-2) USER MOD Single : A 24 ASN : amide:sc= -3.17 K(o=-3.2,f=-4.8!) USER MOD Single : A 25 THR OG1 : rot 100:sc= 0.672 USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= 1.09 (180deg=0.157) USER MOD Single : A 30 LYS NZ :NH3+ -114:sc= 0.00805 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -19:sc= 0.255 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.13) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 27:sc= -0.216 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -7:sc= 0.804 USER MOD Single : A 74 MET CE :methyl -139:sc= -0.032 (180deg=-0.834) USER MOD Single : A 78 GLN : amide:sc= -2.23! C(o=-2.2!,f=-2.3!) USER MOD Single : A 83 ASN : amide:sc= 0.732 K(o=0.73,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 7 -4.226 11.709 6.666 1.00 0.00 N ATOM 68 CA ASN A 7 -4.776 11.606 8.018 1.00 0.00 C ATOM 69 C ASN A 7 -5.462 12.882 8.516 1.00 0.00 C ATOM 70 O ASN A 7 -5.679 13.030 9.719 1.00 0.00 O ATOM 71 CB ASN A 7 -3.715 11.070 8.990 1.00 0.00 C ATOM 72 CG ASN A 7 -2.681 12.103 9.423 1.00 0.00 C ATOM 73 OD1 ASN A 7 -2.744 13.277 9.067 1.00 0.00 O ATOM 74 ND2 ASN A 7 -1.702 11.661 10.207 1.00 0.00 N ATOM 0 HA ASN A 7 -5.587 10.880 7.973 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.215 10.680 9.877 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.200 10.232 8.521 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.977 12.303 10.529 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.676 10.680 10.486 1.00 0.00 H new ATOM 81 N LYS A 8 -5.810 13.807 7.611 1.00 0.00 N ATOM 82 CA LYS A 8 -6.520 15.032 7.972 1.00 0.00 C ATOM 83 C LYS A 8 -7.897 14.687 8.539 1.00 0.00 C ATOM 84 O LYS A 8 -8.369 13.562 8.393 1.00 0.00 O ATOM 85 CB LYS A 8 -6.655 15.942 6.746 1.00 0.00 C ATOM 86 CG LYS A 8 -5.441 16.851 6.505 1.00 0.00 C ATOM 87 CD LYS A 8 -4.118 16.101 6.306 1.00 0.00 C ATOM 88 CE LYS A 8 -3.418 15.785 7.632 1.00 0.00 C ATOM 89 NZ LYS A 8 -2.989 17.010 8.331 1.00 0.00 N ATOM 0 H LYS A 8 -5.607 13.724 6.615 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.952 15.563 8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.813 15.323 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.543 16.563 6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.632 17.466 5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.336 17.529 7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.308 15.172 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.455 16.700 5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.093 15.218 8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.551 15.152 7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.212 16.783 8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.663 17.711 7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.789 17.402 8.868 1.00 0.00 H new ATOM 103 N THR A 9 -8.546 15.654 9.190 1.00 0.00 N ATOM 104 CA THR A 9 -9.823 15.420 9.860 1.00 0.00 C ATOM 105 C THR A 9 -10.873 16.455 9.464 1.00 0.00 C ATOM 106 O THR A 9 -11.837 16.672 10.193 1.00 0.00 O ATOM 107 CB THR A 9 -9.624 15.370 11.378 1.00 0.00 C ATOM 108 OG1 THR A 9 -9.024 16.568 11.826 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.727 14.194 11.765 1.00 0.00 C ATOM 0 H THR A 9 -8.204 16.612 9.267 1.00 0.00 H new ATOM 0 HA THR A 9 -10.203 14.452 9.532 1.00 0.00 H new ATOM 0 HB THR A 9 -10.601 15.246 11.844 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.902 16.529 12.798 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.598 14.176 12.847 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.188 13.262 11.439 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.755 14.305 11.285 1.00 0.00 H new ATOM 117 N ASP A 10 -10.696 17.105 8.310 1.00 0.00 N ATOM 118 CA ASP A 10 -11.628 18.114 7.834 1.00 0.00 C ATOM 119 C ASP A 10 -12.971 17.476 7.466 1.00 0.00 C ATOM 120 O ASP A 10 -13.019 16.295 7.111 1.00 0.00 O ATOM 121 CB ASP A 10 -11.016 18.843 6.640 1.00 0.00 C ATOM 122 CG ASP A 10 -9.782 19.638 7.055 1.00 0.00 C ATOM 123 OD1 ASP A 10 -9.961 20.792 7.503 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.668 19.084 6.921 1.00 0.00 O ATOM 0 H ASP A 10 -9.905 16.943 7.687 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.817 18.837 8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.745 18.121 5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.755 19.514 6.202 1.00 0.00 H new ATOM 129 N PRO A 11 -14.069 18.242 7.546 1.00 0.00 N ATOM 130 CA PRO A 11 -15.423 17.755 7.342 1.00 0.00 C ATOM 131 C PRO A 11 -15.687 17.294 5.911 1.00 0.00 C ATOM 132 O PRO A 11 -16.751 16.740 5.637 1.00 0.00 O ATOM 133 CB PRO A 11 -16.329 18.928 7.716 1.00 0.00 C ATOM 134 CG PRO A 11 -15.458 20.153 7.455 1.00 0.00 C ATOM 135 CD PRO A 11 -14.073 19.658 7.864 1.00 0.00 C ATOM 0 HA PRO A 11 -15.606 16.871 7.952 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.235 18.944 7.110 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.644 18.875 8.758 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.489 20.459 6.409 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.775 21.011 8.047 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.289 20.186 7.321 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.893 19.824 8.926 1.00 0.00 H new ATOM 143 N ARG A 12 -14.738 17.510 4.992 1.00 0.00 N ATOM 144 CA ARG A 12 -14.859 17.043 3.613 1.00 0.00 C ATOM 145 C ARG A 12 -13.702 16.131 3.223 1.00 0.00 C ATOM 146 O ARG A 12 -13.737 15.525 2.154 1.00 0.00 O ATOM 147 CB ARG A 12 -15.032 18.241 2.670 1.00 0.00 C ATOM 148 CG ARG A 12 -13.797 19.141 2.565 1.00 0.00 C ATOM 149 CD ARG A 12 -12.773 18.605 1.563 1.00 0.00 C ATOM 150 NE ARG A 12 -11.658 19.546 1.405 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.751 19.474 0.424 1.00 0.00 C ATOM 152 NH1 ARG A 12 -10.822 18.522 -0.500 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.763 20.360 0.369 1.00 0.00 N ATOM 0 H ARG A 12 -13.871 18.011 5.186 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.754 16.427 3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.285 17.873 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.876 18.840 3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.105 20.143 2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.330 19.230 3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.396 17.640 1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.253 18.438 0.599 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.569 20.301 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.575 17.834 -0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.124 18.479 -1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.696 21.094 1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.071 20.306 -0.378 1.00 0.00 H new ATOM 167 N SER A 13 -12.683 16.033 4.081 1.00 0.00 N ATOM 168 CA SER A 13 -11.535 15.167 3.850 1.00 0.00 C ATOM 169 C SER A 13 -11.723 13.823 4.548 1.00 0.00 C ATOM 170 O SER A 13 -11.068 12.845 4.199 1.00 0.00 O ATOM 171 CB SER A 13 -10.255 15.851 4.319 1.00 0.00 C ATOM 172 OG SER A 13 -10.105 17.081 3.641 1.00 0.00 O ATOM 0 H SER A 13 -12.635 16.555 4.956 1.00 0.00 H new ATOM 0 HA SER A 13 -11.451 14.979 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.293 16.019 5.395 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.395 15.210 4.126 1.00 0.00 H new ATOM 0 HG SER A 13 -9.284 17.523 3.942 1.00 0.00 H new ATOM 178 N MET A 14 -12.623 13.773 5.535 1.00 0.00 N ATOM 179 CA MET A 14 -12.982 12.543 6.233 1.00 0.00 C ATOM 180 C MET A 14 -13.888 11.663 5.373 1.00 0.00 C ATOM 181 O MET A 14 -14.112 10.502 5.707 1.00 0.00 O ATOM 182 CB MET A 14 -13.681 12.910 7.546 1.00 0.00 C ATOM 183 CG MET A 14 -12.652 13.325 8.600 1.00 0.00 C ATOM 184 SD MET A 14 -12.234 12.033 9.805 1.00 0.00 S ATOM 185 CE MET A 14 -11.843 10.643 8.713 1.00 0.00 C ATOM 0 H MET A 14 -13.125 14.595 5.872 1.00 0.00 H new ATOM 0 HA MET A 14 -12.077 11.972 6.441 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.385 13.724 7.375 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.259 12.060 7.908 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.739 13.638 8.093 1.00 0.00 H new ATOM 0 HG3 MET A 14 -13.033 14.194 9.137 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.585 9.770 9.313 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.709 10.413 8.092 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.999 10.907 8.075 1.00 0.00 H new ATOM 195 N ASN A 15 -14.408 12.207 4.268 1.00 0.00 N ATOM 196 CA ASN A 15 -15.303 11.482 3.379 1.00 0.00 C ATOM 197 C ASN A 15 -14.813 11.507 1.931 1.00 0.00 C ATOM 198 O ASN A 15 -15.434 10.891 1.069 1.00 0.00 O ATOM 199 CB ASN A 15 -16.728 12.026 3.529 1.00 0.00 C ATOM 200 CG ASN A 15 -16.757 13.539 3.684 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.791 14.274 2.703 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.743 14.004 4.930 1.00 0.00 N ATOM 0 H ASN A 15 -14.216 13.163 3.970 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.310 10.431 3.667 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.316 11.741 2.657 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.201 11.565 4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.761 15.010 5.099 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.715 13.355 5.716 1.00 0.00 H new ATOM 209 N SER A 16 -13.709 12.210 1.657 1.00 0.00 N ATOM 210 CA SER A 16 -13.048 12.174 0.358 1.00 0.00 C ATOM 211 C SER A 16 -11.882 11.191 0.397 1.00 0.00 C ATOM 212 O SER A 16 -11.047 11.155 -0.506 1.00 0.00 O ATOM 213 CB SER A 16 -12.591 13.574 -0.044 1.00 0.00 C ATOM 214 OG SER A 16 -11.514 13.982 0.768 1.00 0.00 O ATOM 0 H SER A 16 -13.251 12.820 2.335 1.00 0.00 H new ATOM 0 HA SER A 16 -13.754 11.830 -0.398 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.290 13.580 -1.092 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.418 14.277 0.054 1.00 0.00 H new ATOM 0 HG SER A 16 -11.226 14.880 0.502 1.00 0.00 H new ATOM 220 N ARG A 17 -11.829 10.388 1.461 1.00 0.00 N ATOM 221 CA ARG A 17 -10.757 9.443 1.716 1.00 0.00 C ATOM 222 C ARG A 17 -11.264 8.013 1.609 1.00 0.00 C ATOM 223 O ARG A 17 -12.447 7.751 1.827 1.00 0.00 O ATOM 224 CB ARG A 17 -10.219 9.750 3.110 1.00 0.00 C ATOM 225 CG ARG A 17 -9.005 8.893 3.481 1.00 0.00 C ATOM 226 CD ARG A 17 -8.509 9.338 4.850 1.00 0.00 C ATOM 227 NE ARG A 17 -8.253 10.781 4.837 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.354 11.589 5.888 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.650 11.122 7.097 1.00 0.00 N ATOM 230 NH2 ARG A 17 -8.156 12.889 5.721 1.00 0.00 N ATOM 0 H ARG A 17 -12.550 10.382 2.182 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.961 9.540 0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.944 10.803 3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.009 9.588 3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.276 7.837 3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.218 9.007 2.736 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.250 9.097 5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.598 8.799 5.110 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.975 11.199 3.949 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.805 10.123 7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.722 11.762 7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.930 13.256 4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.230 13.523 6.517 1.00 0.00 H new ATOM 244 N VAL A 18 -10.366 7.090 1.269 1.00 0.00 N ATOM 245 CA VAL A 18 -10.688 5.675 1.153 1.00 0.00 C ATOM 246 C VAL A 18 -9.836 4.876 2.129 1.00 0.00 C ATOM 247 O VAL A 18 -8.620 5.047 2.172 1.00 0.00 O ATOM 248 CB VAL A 18 -10.422 5.185 -0.273 1.00 0.00 C ATOM 249 CG1 VAL A 18 -10.888 3.741 -0.439 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.131 6.049 -1.311 1.00 0.00 C ATOM 0 H VAL A 18 -9.390 7.307 1.066 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.744 5.535 1.386 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.346 5.253 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.691 3.410 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.349 3.102 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.957 3.678 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.917 5.668 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.206 6.020 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.777 7.077 -1.231 1.00 0.00 H new ATOM 260 N PHE A 19 -10.482 4.005 2.904 1.00 0.00 N ATOM 261 CA PHE A 19 -9.792 3.050 3.746 1.00 0.00 C ATOM 262 C PHE A 19 -9.695 1.734 2.985 1.00 0.00 C ATOM 263 O PHE A 19 -10.641 1.346 2.303 1.00 0.00 O ATOM 264 CB PHE A 19 -10.541 2.873 5.064 1.00 0.00 C ATOM 265 CG PHE A 19 -10.018 1.710 5.875 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.756 1.780 6.485 1.00 0.00 C ATOM 267 CD2 PHE A 19 -10.797 0.553 6.013 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.277 0.694 7.229 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.319 -0.535 6.756 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.058 -0.463 7.363 1.00 0.00 C ATOM 0 H PHE A 19 -11.499 3.948 2.960 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.790 3.405 3.987 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.458 3.788 5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.601 2.721 4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.154 2.671 6.381 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.769 0.500 5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.306 0.748 7.699 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.920 -1.426 6.860 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.687 -1.300 7.935 1.00 0.00 H new ATOM 280 N ILE A 20 -8.557 1.052 3.103 1.00 0.00 N ATOM 281 CA ILE A 20 -8.323 -0.202 2.401 1.00 0.00 C ATOM 282 C ILE A 20 -7.745 -1.213 3.379 1.00 0.00 C ATOM 283 O ILE A 20 -6.534 -1.419 3.434 1.00 0.00 O ATOM 284 CB ILE A 20 -7.386 0.030 1.211 1.00 0.00 C ATOM 285 CG1 ILE A 20 -7.916 1.155 0.317 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.253 -1.270 0.405 1.00 0.00 C ATOM 287 CD1 ILE A 20 -6.860 1.589 -0.692 1.00 0.00 C ATOM 0 H ILE A 20 -7.776 1.354 3.686 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.261 -0.595 2.008 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.406 0.327 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.810 0.818 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.209 2.006 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.587 -1.106 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.844 -2.053 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.234 -1.574 0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.260 2.389 -1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.977 1.948 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.587 0.741 -1.320 1.00 0.00 H new ATOM 299 N GLY A 21 -8.622 -1.844 4.159 1.00 0.00 N ATOM 300 CA GLY A 21 -8.224 -2.835 5.143 1.00 0.00 C ATOM 301 C GLY A 21 -8.081 -4.219 4.521 1.00 0.00 C ATOM 302 O GLY A 21 -8.426 -4.431 3.358 1.00 0.00 O ATOM 0 H GLY A 21 -9.628 -1.678 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.277 -2.539 5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.963 -2.870 5.944 1.00 0.00 H new ATOM 306 N ASN A 22 -7.568 -5.163 5.312 1.00 0.00 N ATOM 307 CA ASN A 22 -7.336 -6.542 4.908 1.00 0.00 C ATOM 308 C ASN A 22 -6.514 -6.643 3.612 1.00 0.00 C ATOM 309 O ASN A 22 -6.615 -7.625 2.877 1.00 0.00 O ATOM 310 CB ASN A 22 -8.658 -7.314 4.838 1.00 0.00 C ATOM 311 CG ASN A 22 -8.433 -8.819 4.694 1.00 0.00 C ATOM 312 OD1 ASN A 22 -7.351 -9.332 4.972 1.00 0.00 O ATOM 313 ND2 ASN A 22 -9.461 -9.542 4.260 1.00 0.00 N ATOM 0 H ASN A 22 -7.296 -4.979 6.278 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.724 -7.017 5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.240 -7.119 5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.245 -6.952 3.994 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.364 -10.551 4.150 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.346 -9.087 4.037 1.00 0.00 H new ATOM 320 N LEU A 23 -5.699 -5.629 3.315 1.00 0.00 N ATOM 321 CA LEU A 23 -4.967 -5.545 2.062 1.00 0.00 C ATOM 322 C LEU A 23 -3.845 -6.584 1.976 1.00 0.00 C ATOM 323 O LEU A 23 -3.315 -7.033 2.993 1.00 0.00 O ATOM 324 CB LEU A 23 -4.461 -4.105 1.902 1.00 0.00 C ATOM 325 CG LEU A 23 -3.749 -3.848 0.568 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.667 -4.107 -0.618 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.300 -2.389 0.519 1.00 0.00 C ATOM 0 H LEU A 23 -5.532 -4.843 3.943 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.629 -5.785 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.305 -3.421 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.777 -3.876 2.719 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.899 -4.527 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.127 -3.914 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.999 -5.145 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.533 -3.448 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.792 -2.196 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.170 -1.738 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.617 -2.191 1.345 1.00 0.00 H new ATOM 339 N ASN A 24 -3.489 -6.959 0.742 1.00 0.00 N ATOM 340 CA ASN A 24 -2.418 -7.888 0.415 1.00 0.00 C ATOM 341 C ASN A 24 -1.052 -7.215 0.567 1.00 0.00 C ATOM 342 O ASN A 24 -0.215 -7.275 -0.334 1.00 0.00 O ATOM 343 CB ASN A 24 -2.638 -8.389 -1.012 1.00 0.00 C ATOM 344 CG ASN A 24 -2.724 -7.232 -1.996 1.00 0.00 C ATOM 345 OD1 ASN A 24 -3.783 -6.651 -2.188 1.00 0.00 O ATOM 346 ND2 ASN A 24 -1.609 -6.885 -2.627 1.00 0.00 N ATOM 0 H ASN A 24 -3.965 -6.604 -0.087 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.432 -8.734 1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.821 -9.052 -1.297 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.555 -8.976 -1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.620 -6.114 -3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.742 -7.390 -2.445 1.00 0.00 H new ATOM 353 N THR A 25 -0.811 -6.562 1.705 1.00 0.00 N ATOM 354 CA THR A 25 0.363 -5.727 1.918 1.00 0.00 C ATOM 355 C THR A 25 1.679 -6.505 1.884 1.00 0.00 C ATOM 356 O THR A 25 2.741 -5.910 2.047 1.00 0.00 O ATOM 357 CB THR A 25 0.225 -4.982 3.245 1.00 0.00 C ATOM 358 OG1 THR A 25 0.217 -5.899 4.317 1.00 0.00 O ATOM 359 CG2 THR A 25 -1.096 -4.216 3.257 1.00 0.00 C ATOM 0 H THR A 25 -1.435 -6.601 2.511 1.00 0.00 H new ATOM 0 HA THR A 25 0.406 -5.022 1.088 1.00 0.00 H new ATOM 0 HB THR A 25 1.066 -4.297 3.353 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.106 -5.930 4.728 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.199 -3.683 4.202 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.110 -3.502 2.434 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.924 -4.916 3.144 1.00 0.00 H new ATOM 367 N LEU A 26 1.622 -7.820 1.671 1.00 0.00 N ATOM 368 CA LEU A 26 2.826 -8.628 1.549 1.00 0.00 C ATOM 369 C LEU A 26 3.369 -8.564 0.123 1.00 0.00 C ATOM 370 O LEU A 26 4.493 -8.993 -0.134 1.00 0.00 O ATOM 371 CB LEU A 26 2.530 -10.080 1.930 1.00 0.00 C ATOM 372 CG LEU A 26 1.674 -10.216 3.192 1.00 0.00 C ATOM 373 CD1 LEU A 26 1.689 -11.685 3.611 1.00 0.00 C ATOM 374 CD2 LEU A 26 2.196 -9.367 4.347 1.00 0.00 C ATOM 0 H LEU A 26 0.752 -8.345 1.580 1.00 0.00 H new ATOM 0 HA LEU A 26 3.579 -8.230 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.020 -10.569 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.472 -10.607 2.080 1.00 0.00 H new ATOM 0 HG LEU A 26 0.667 -9.867 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.086 -11.813 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.278 -12.297 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.714 -11.995 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.553 -9.501 5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.211 -9.676 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.198 -8.317 4.055 1.00 0.00 H new ATOM 386 N VAL A 27 2.560 -8.029 -0.800 1.00 0.00 N ATOM 387 CA VAL A 27 2.908 -7.948 -2.211 1.00 0.00 C ATOM 388 C VAL A 27 2.602 -6.560 -2.773 1.00 0.00 C ATOM 389 O VAL A 27 3.172 -6.172 -3.790 1.00 0.00 O ATOM 390 CB VAL A 27 2.128 -9.027 -2.975 1.00 0.00 C ATOM 391 CG1 VAL A 27 2.550 -9.077 -4.444 1.00 0.00 C ATOM 392 CG2 VAL A 27 2.373 -10.411 -2.370 1.00 0.00 C ATOM 0 H VAL A 27 1.643 -7.640 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 27 3.978 -8.117 -2.328 1.00 0.00 H new ATOM 0 HB VAL A 27 1.073 -8.765 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.981 -9.850 -4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.356 -8.111 -4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.614 -9.305 -4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.809 -11.158 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.436 -10.647 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.049 -10.416 -1.329 1.00 0.00 H new ATOM 402 N VAL A 28 1.713 -5.797 -2.123 1.00 0.00 N ATOM 403 CA VAL A 28 1.369 -4.458 -2.585 1.00 0.00 C ATOM 404 C VAL A 28 2.471 -3.466 -2.218 1.00 0.00 C ATOM 405 O VAL A 28 3.282 -3.717 -1.326 1.00 0.00 O ATOM 406 CB VAL A 28 0.008 -4.038 -2.011 1.00 0.00 C ATOM 407 CG1 VAL A 28 0.147 -3.052 -0.856 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.857 -3.401 -3.099 1.00 0.00 C ATOM 0 H VAL A 28 1.223 -6.089 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 28 1.286 -4.463 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.465 -4.945 -1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.842 -2.785 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.725 -3.511 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.658 -2.154 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.818 -3.109 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.353 -2.520 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.018 -4.119 -3.903 1.00 0.00 H new ATOM 418 N LYS A 29 2.491 -2.333 -2.918 1.00 0.00 N ATOM 419 CA LYS A 29 3.379 -1.216 -2.627 1.00 0.00 C ATOM 420 C LYS A 29 2.607 0.082 -2.814 1.00 0.00 C ATOM 421 O LYS A 29 1.477 0.073 -3.296 1.00 0.00 O ATOM 422 CB LYS A 29 4.629 -1.246 -3.517 1.00 0.00 C ATOM 423 CG LYS A 29 4.376 -1.852 -4.898 1.00 0.00 C ATOM 424 CD LYS A 29 4.742 -3.341 -4.876 1.00 0.00 C ATOM 425 CE LYS A 29 4.123 -4.089 -6.055 1.00 0.00 C ATOM 426 NZ LYS A 29 4.526 -3.513 -7.351 1.00 0.00 N ATOM 0 H LYS A 29 1.879 -2.166 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 29 3.725 -1.292 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.005 -0.230 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.410 -1.817 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.329 -1.728 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.969 -1.332 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.826 -3.450 -4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.400 -3.787 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.421 -5.137 -6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.037 -4.064 -5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.641 -4.275 -8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.794 -2.851 -7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.427 -3.006 -7.240 1.00 0.00 H new ATOM 440 N LYS A 30 3.207 1.214 -2.436 1.00 0.00 N ATOM 441 CA LYS A 30 2.537 2.500 -2.575 1.00 0.00 C ATOM 442 C LYS A 30 2.215 2.777 -4.039 1.00 0.00 C ATOM 443 O LYS A 30 1.219 3.430 -4.332 1.00 0.00 O ATOM 444 CB LYS A 30 3.413 3.611 -1.993 1.00 0.00 C ATOM 445 CG LYS A 30 2.690 4.943 -2.178 1.00 0.00 C ATOM 446 CD LYS A 30 3.391 6.066 -1.419 1.00 0.00 C ATOM 447 CE LYS A 30 2.638 7.367 -1.683 1.00 0.00 C ATOM 448 NZ LYS A 30 3.226 8.497 -0.938 1.00 0.00 N ATOM 0 H LYS A 30 4.144 1.262 -2.036 1.00 0.00 H new ATOM 0 HA LYS A 30 1.599 2.471 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.605 3.428 -0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.381 3.632 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.646 5.191 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.661 4.852 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.410 5.848 -0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.428 6.155 -1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.654 7.587 -2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.593 7.247 -1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.547 8.834 -0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.098 8.185 -0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.447 9.270 -1.598 1.00 0.00 H new ATOM 462 N SER A 31 3.054 2.278 -4.947 1.00 0.00 N ATOM 463 CA SER A 31 2.912 2.499 -6.377 1.00 0.00 C ATOM 464 C SER A 31 1.803 1.631 -6.963 1.00 0.00 C ATOM 465 O SER A 31 1.422 1.818 -8.115 1.00 0.00 O ATOM 466 CB SER A 31 4.240 2.197 -7.073 1.00 0.00 C ATOM 467 OG SER A 31 5.260 2.999 -6.518 1.00 0.00 O ATOM 0 H SER A 31 3.860 1.703 -4.702 1.00 0.00 H new ATOM 0 HA SER A 31 2.641 3.542 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.490 1.142 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.154 2.390 -8.142 1.00 0.00 H new ATOM 0 HG SER A 31 6.110 2.802 -6.964 1.00 0.00 H new ATOM 473 N ASP A 32 1.282 0.688 -6.175 1.00 0.00 N ATOM 474 CA ASP A 32 0.195 -0.173 -6.599 1.00 0.00 C ATOM 475 C ASP A 32 -1.135 0.407 -6.139 1.00 0.00 C ATOM 476 O ASP A 32 -2.112 0.356 -6.877 1.00 0.00 O ATOM 477 CB ASP A 32 0.413 -1.579 -6.034 1.00 0.00 C ATOM 478 CG ASP A 32 1.231 -2.445 -6.992 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.227 -1.926 -7.545 1.00 0.00 O ATOM 480 OD2 ASP A 32 0.851 -3.624 -7.165 1.00 0.00 O ATOM 0 H ASP A 32 1.608 0.506 -5.226 1.00 0.00 H new ATOM 0 HA ASP A 32 0.174 -0.237 -7.687 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.926 -1.512 -5.074 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.551 -2.051 -5.848 1.00 0.00 H new ATOM 485 N VAL A 33 -1.198 0.968 -4.926 1.00 0.00 N ATOM 486 CA VAL A 33 -2.447 1.517 -4.423 1.00 0.00 C ATOM 487 C VAL A 33 -2.843 2.739 -5.250 1.00 0.00 C ATOM 488 O VAL A 33 -4.029 2.958 -5.512 1.00 0.00 O ATOM 489 CB VAL A 33 -2.295 1.861 -2.942 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.601 2.434 -2.391 1.00 0.00 C ATOM 491 CG2 VAL A 33 -1.955 0.602 -2.139 1.00 0.00 C ATOM 0 H VAL A 33 -0.407 1.050 -4.288 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.244 0.779 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.495 2.596 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.476 2.674 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.862 3.339 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.397 1.699 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.849 0.860 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.754 -0.130 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.019 0.179 -2.505 1.00 0.00 H new ATOM 501 N GLU A 34 -1.860 3.540 -5.674 1.00 0.00 N ATOM 502 CA GLU A 34 -2.122 4.707 -6.505 1.00 0.00 C ATOM 503 C GLU A 34 -2.355 4.313 -7.965 1.00 0.00 C ATOM 504 O GLU A 34 -2.566 5.182 -8.807 1.00 0.00 O ATOM 505 CB GLU A 34 -0.988 5.725 -6.372 1.00 0.00 C ATOM 506 CG GLU A 34 0.325 5.180 -6.930 1.00 0.00 C ATOM 507 CD GLU A 34 1.437 6.225 -6.841 1.00 0.00 C ATOM 508 OE1 GLU A 34 1.711 6.690 -5.712 1.00 0.00 O ATOM 509 OE2 GLU A 34 2.010 6.551 -7.904 1.00 0.00 O ATOM 0 H GLU A 34 -0.875 3.396 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.040 5.176 -6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.256 6.640 -6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.856 5.989 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.616 4.287 -6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.186 4.880 -7.969 1.00 0.00 H new ATOM 516 N ALA A 35 -2.314 3.010 -8.269 1.00 0.00 N ATOM 517 CA ALA A 35 -2.545 2.505 -9.614 1.00 0.00 C ATOM 518 C ALA A 35 -3.810 1.646 -9.675 1.00 0.00 C ATOM 519 O ALA A 35 -4.250 1.277 -10.763 1.00 0.00 O ATOM 520 CB ALA A 35 -1.316 1.709 -10.055 1.00 0.00 C ATOM 0 H ALA A 35 -2.119 2.281 -7.583 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.700 3.343 -10.294 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.474 1.324 -11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.440 2.358 -10.048 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.156 0.877 -9.369 1.00 0.00 H new ATOM 526 N ILE A 36 -4.396 1.330 -8.516 1.00 0.00 N ATOM 527 CA ILE A 36 -5.608 0.523 -8.424 1.00 0.00 C ATOM 528 C ILE A 36 -6.808 1.398 -8.055 1.00 0.00 C ATOM 529 O ILE A 36 -7.952 0.985 -8.231 1.00 0.00 O ATOM 530 CB ILE A 36 -5.364 -0.598 -7.400 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.258 -1.528 -7.915 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.638 -1.411 -7.164 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.651 -2.345 -6.773 1.00 0.00 C ATOM 0 H ILE A 36 -4.037 1.631 -7.610 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.842 0.071 -9.388 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.063 -0.143 -6.457 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.666 -2.200 -8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.479 -0.939 -8.399 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.438 -2.197 -6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.423 -0.756 -6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.962 -1.860 -8.103 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.870 -2.996 -7.166 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.223 -1.671 -6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.428 -2.951 -6.307 1.00 0.00 H new ATOM 545 N PHE A 37 -6.557 2.609 -7.547 1.00 0.00 N ATOM 546 CA PHE A 37 -7.626 3.525 -7.172 1.00 0.00 C ATOM 547 C PHE A 37 -7.636 4.781 -8.051 1.00 0.00 C ATOM 548 O PHE A 37 -8.579 5.567 -7.997 1.00 0.00 O ATOM 549 CB PHE A 37 -7.496 3.836 -5.681 1.00 0.00 C ATOM 550 CG PHE A 37 -7.852 2.653 -4.803 1.00 0.00 C ATOM 551 CD1 PHE A 37 -6.989 1.550 -4.718 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.053 2.662 -4.073 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.336 0.448 -3.927 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.402 1.554 -3.287 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.542 0.447 -3.210 1.00 0.00 C ATOM 0 H PHE A 37 -5.618 2.974 -7.388 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.594 3.055 -7.344 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.474 4.147 -5.467 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.144 4.676 -5.432 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.057 1.551 -5.263 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.706 3.521 -4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.674 -0.403 -3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.333 1.552 -2.740 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.808 -0.404 -2.600 1.00 0.00 H new ATOM 565 N SER A 38 -6.600 4.989 -8.869 1.00 0.00 N ATOM 566 CA SER A 38 -6.588 6.118 -9.795 1.00 0.00 C ATOM 567 C SER A 38 -7.559 5.875 -10.956 1.00 0.00 C ATOM 568 O SER A 38 -7.800 6.762 -11.773 1.00 0.00 O ATOM 569 CB SER A 38 -5.156 6.361 -10.275 1.00 0.00 C ATOM 570 OG SER A 38 -5.092 7.481 -11.132 1.00 0.00 O ATOM 0 H SER A 38 -5.770 4.397 -8.907 1.00 0.00 H new ATOM 0 HA SER A 38 -6.931 7.019 -9.286 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.503 6.518 -9.417 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.789 5.478 -10.798 1.00 0.00 H new ATOM 0 HG SER A 38 -5.988 7.681 -11.476 1.00 0.00 H new ATOM 576 N LYS A 39 -8.122 4.662 -11.027 1.00 0.00 N ATOM 577 CA LYS A 39 -9.113 4.279 -12.024 1.00 0.00 C ATOM 578 C LYS A 39 -10.508 4.798 -11.672 1.00 0.00 C ATOM 579 O LYS A 39 -11.426 4.689 -12.484 1.00 0.00 O ATOM 580 CB LYS A 39 -9.137 2.755 -12.147 1.00 0.00 C ATOM 581 CG LYS A 39 -9.511 2.126 -10.803 1.00 0.00 C ATOM 582 CD LYS A 39 -9.608 0.607 -10.901 1.00 0.00 C ATOM 583 CE LYS A 39 -10.829 0.198 -11.722 1.00 0.00 C ATOM 584 NZ LYS A 39 -11.074 -1.252 -11.624 1.00 0.00 N ATOM 0 H LYS A 39 -7.893 3.910 -10.378 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.830 4.729 -12.976 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.855 2.455 -12.910 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.160 2.393 -12.468 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.766 2.396 -10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.465 2.531 -10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.704 0.208 -11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.674 0.176 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.706 0.742 -11.371 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.678 0.475 -12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.797 -1.530 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.192 -1.767 -11.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.406 -1.484 -10.666 1.00 0.00 H new ATOM 598 N TYR A 40 -10.673 5.357 -10.467 1.00 0.00 N ATOM 599 CA TYR A 40 -11.970 5.793 -9.972 1.00 0.00 C ATOM 600 C TYR A 40 -11.957 7.238 -9.478 1.00 0.00 C ATOM 601 O TYR A 40 -12.999 7.749 -9.067 1.00 0.00 O ATOM 602 CB TYR A 40 -12.425 4.838 -8.865 1.00 0.00 C ATOM 603 CG TYR A 40 -13.188 3.632 -9.372 1.00 0.00 C ATOM 604 CD1 TYR A 40 -14.328 3.817 -10.167 1.00 0.00 C ATOM 605 CD2 TYR A 40 -12.763 2.336 -9.043 1.00 0.00 C ATOM 606 CE1 TYR A 40 -15.046 2.708 -10.640 1.00 0.00 C ATOM 607 CE2 TYR A 40 -13.480 1.228 -9.510 1.00 0.00 C ATOM 608 CZ TYR A 40 -14.623 1.405 -10.312 1.00 0.00 C ATOM 609 OH TYR A 40 -15.318 0.323 -10.763 1.00 0.00 O ATOM 0 H TYR A 40 -9.907 5.517 -9.813 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.677 5.766 -10.801 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.551 4.496 -8.311 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.054 5.385 -8.162 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.654 4.816 -10.416 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.885 2.193 -8.431 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.922 2.853 -11.255 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.154 0.231 -9.253 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.888 -0.498 -10.445 1.00 0.00 H new ATOM 619 N GLY A 41 -10.804 7.909 -9.511 1.00 0.00 N ATOM 620 CA GLY A 41 -10.742 9.294 -9.084 1.00 0.00 C ATOM 621 C GLY A 41 -9.331 9.861 -9.112 1.00 0.00 C ATOM 622 O GLY A 41 -8.354 9.126 -9.250 1.00 0.00 O ATOM 0 H GLY A 41 -9.917 7.517 -9.825 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.383 9.896 -9.728 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.140 9.375 -8.073 1.00 0.00 H new ATOM 626 N LYS A 42 -9.231 11.189 -8.978 1.00 0.00 N ATOM 627 CA LYS A 42 -7.951 11.877 -8.912 1.00 0.00 C ATOM 628 C LYS A 42 -7.388 11.745 -7.502 1.00 0.00 C ATOM 629 O LYS A 42 -7.948 12.295 -6.557 1.00 0.00 O ATOM 630 CB LYS A 42 -8.142 13.351 -9.291 1.00 0.00 C ATOM 631 CG LYS A 42 -6.906 14.193 -8.954 1.00 0.00 C ATOM 632 CD LYS A 42 -5.646 13.690 -9.657 1.00 0.00 C ATOM 633 CE LYS A 42 -4.445 14.460 -9.106 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.191 14.031 -9.749 1.00 0.00 N ATOM 0 H LYS A 42 -10.038 11.809 -8.913 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.246 11.432 -9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.353 13.427 -10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.009 13.752 -8.765 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.088 15.229 -9.239 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.746 14.182 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.520 12.620 -9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.729 13.836 -10.734 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.591 15.528 -9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.375 14.306 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.395 14.572 -9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.041 13.017 -9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.250 14.201 -10.773 1.00 0.00 H new ATOM 648 N ILE A 43 -6.280 11.015 -7.369 1.00 0.00 N ATOM 649 CA ILE A 43 -5.616 10.868 -6.090 1.00 0.00 C ATOM 650 C ILE A 43 -4.684 12.055 -5.885 1.00 0.00 C ATOM 651 O ILE A 43 -3.850 12.352 -6.741 1.00 0.00 O ATOM 652 CB ILE A 43 -4.870 9.525 -6.038 1.00 0.00 C ATOM 653 CG1 ILE A 43 -5.877 8.375 -6.192 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.121 9.416 -4.708 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.236 6.990 -6.067 1.00 0.00 C ATOM 0 H ILE A 43 -5.829 10.519 -8.138 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.343 10.860 -5.277 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.148 9.465 -6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.654 8.478 -5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.365 8.456 -7.163 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.590 8.465 -4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.406 10.235 -4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.833 9.471 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.001 6.223 -6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.478 6.869 -6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.772 6.891 -5.086 1.00 0.00 H new ATOM 667 N VAL A 44 -4.827 12.732 -4.743 1.00 0.00 N ATOM 668 CA VAL A 44 -3.980 13.862 -4.378 1.00 0.00 C ATOM 669 C VAL A 44 -3.155 13.529 -3.140 1.00 0.00 C ATOM 670 O VAL A 44 -2.372 14.356 -2.676 1.00 0.00 O ATOM 671 CB VAL A 44 -4.819 15.130 -4.191 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.300 15.624 -5.552 1.00 0.00 C ATOM 673 CG2 VAL A 44 -6.033 14.879 -3.301 1.00 0.00 C ATOM 0 H VAL A 44 -5.537 12.508 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.282 14.059 -5.191 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.189 15.878 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.897 16.526 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.440 15.847 -6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.907 14.852 -6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.602 15.802 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.664 14.115 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.701 14.541 -2.320 1.00 0.00 H new ATOM 683 N GLY A 45 -3.320 12.315 -2.605 1.00 0.00 N ATOM 684 CA GLY A 45 -2.527 11.826 -1.487 1.00 0.00 C ATOM 685 C GLY A 45 -2.693 10.317 -1.363 1.00 0.00 C ATOM 686 O GLY A 45 -3.768 9.791 -1.638 1.00 0.00 O ATOM 0 H GLY A 45 -4.012 11.646 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.477 12.075 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.842 12.314 -0.564 1.00 0.00 H new ATOM 690 N CYS A 46 -1.638 9.610 -0.956 1.00 0.00 N ATOM 691 CA CYS A 46 -1.698 8.165 -0.806 1.00 0.00 C ATOM 692 C CYS A 46 -0.704 7.692 0.250 1.00 0.00 C ATOM 693 O CYS A 46 0.360 8.289 0.429 1.00 0.00 O ATOM 694 CB CYS A 46 -1.404 7.516 -2.162 1.00 0.00 C ATOM 695 SG CYS A 46 -1.572 5.716 -2.035 1.00 0.00 S ATOM 0 H CYS A 46 -0.733 10.020 -0.725 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.694 7.872 -0.473 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.090 7.902 -2.916 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.396 7.774 -2.487 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.412 5.424 -1.087 1.00 0.00 H new ATOM 701 N SER A 47 -1.060 6.613 0.951 1.00 0.00 N ATOM 702 CA SER A 47 -0.209 6.000 1.959 1.00 0.00 C ATOM 703 C SER A 47 -0.552 4.517 2.074 1.00 0.00 C ATOM 704 O SER A 47 -1.690 4.121 1.828 1.00 0.00 O ATOM 705 CB SER A 47 -0.428 6.706 3.296 1.00 0.00 C ATOM 706 OG SER A 47 0.441 6.175 4.275 1.00 0.00 O ATOM 0 H SER A 47 -1.956 6.140 0.830 1.00 0.00 H new ATOM 0 HA SER A 47 0.839 6.097 1.676 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.252 7.776 3.184 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.464 6.585 3.614 1.00 0.00 H new ATOM 0 HG SER A 47 0.294 6.635 5.128 1.00 0.00 H new ATOM 712 N VAL A 48 0.422 3.688 2.451 1.00 0.00 N ATOM 713 CA VAL A 48 0.193 2.259 2.622 1.00 0.00 C ATOM 714 C VAL A 48 1.034 1.722 3.772 1.00 0.00 C ATOM 715 O VAL A 48 2.136 2.204 4.031 1.00 0.00 O ATOM 716 CB VAL A 48 0.436 1.510 1.302 1.00 0.00 C ATOM 717 CG1 VAL A 48 1.819 1.801 0.720 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.297 -0.003 1.482 1.00 0.00 C ATOM 0 H VAL A 48 1.378 3.986 2.643 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.851 2.090 2.888 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.325 1.871 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.945 1.250 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.915 2.869 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.585 1.492 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.475 -0.501 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.025 -0.351 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.709 -0.237 1.831 1.00 0.00 H new ATOM 728 N HIS A 49 0.496 0.715 4.459 1.00 0.00 N ATOM 729 CA HIS A 49 1.075 0.137 5.659 1.00 0.00 C ATOM 730 C HIS A 49 0.892 -1.377 5.597 1.00 0.00 C ATOM 731 O HIS A 49 0.504 -1.899 4.555 1.00 0.00 O ATOM 732 CB HIS A 49 0.348 0.718 6.878 1.00 0.00 C ATOM 733 CG HIS A 49 0.061 2.195 6.762 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.837 3.225 7.296 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.011 2.733 6.108 1.00 0.00 C ATOM 736 CE1 HIS A 49 0.207 4.358 6.942 1.00 0.00 C ATOM 737 NE2 HIS A 49 -0.901 4.096 6.231 1.00 0.00 N ATOM 0 H HIS A 49 -0.380 0.270 4.184 1.00 0.00 H new ATOM 0 HA HIS A 49 2.138 0.367 5.736 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.592 0.184 7.019 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.952 0.542 7.769 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.792 2.192 5.595 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.548 5.351 7.197 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.547 4.787 5.850 1.00 0.00 H new ATOM 745 N LYS A 50 1.160 -2.097 6.690 1.00 0.00 N ATOM 746 CA LYS A 50 0.809 -3.509 6.755 1.00 0.00 C ATOM 747 C LYS A 50 -0.673 -3.652 7.083 1.00 0.00 C ATOM 748 O LYS A 50 -1.202 -2.915 7.914 1.00 0.00 O ATOM 749 CB LYS A 50 1.664 -4.257 7.780 1.00 0.00 C ATOM 750 CG LYS A 50 2.987 -4.700 7.158 1.00 0.00 C ATOM 751 CD LYS A 50 3.722 -5.633 8.122 1.00 0.00 C ATOM 752 CE LYS A 50 4.900 -6.296 7.408 1.00 0.00 C ATOM 753 NZ LYS A 50 5.593 -7.241 8.305 1.00 0.00 N ATOM 0 H LYS A 50 1.612 -1.728 7.527 1.00 0.00 H new ATOM 0 HA LYS A 50 1.009 -3.957 5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.857 -3.614 8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.121 -5.127 8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.803 -5.210 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.605 -3.830 6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.078 -5.071 8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.038 -6.394 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.544 -6.823 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.599 -5.533 7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.389 -7.679 7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.951 -6.731 9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.928 -7.980 8.611 1.00 0.00 H new ATOM 767 N GLY A 51 -1.329 -4.606 6.425 1.00 0.00 N ATOM 768 CA GLY A 51 -2.736 -4.929 6.616 1.00 0.00 C ATOM 769 C GLY A 51 -3.703 -3.865 6.091 1.00 0.00 C ATOM 770 O GLY A 51 -4.807 -4.206 5.668 1.00 0.00 O ATOM 0 H GLY A 51 -0.879 -5.192 5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.950 -5.875 6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.921 -5.079 7.680 1.00 0.00 H new ATOM 774 N PHE A 52 -3.324 -2.585 6.104 1.00 0.00 N ATOM 775 CA PHE A 52 -4.229 -1.521 5.697 1.00 0.00 C ATOM 776 C PHE A 52 -3.512 -0.473 4.849 1.00 0.00 C ATOM 777 O PHE A 52 -2.285 -0.392 4.850 1.00 0.00 O ATOM 778 CB PHE A 52 -4.880 -0.885 6.922 1.00 0.00 C ATOM 779 CG PHE A 52 -3.926 -0.110 7.793 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.201 -0.758 8.802 1.00 0.00 C ATOM 781 CD2 PHE A 52 -3.770 1.263 7.587 1.00 0.00 C ATOM 782 CE1 PHE A 52 -2.308 -0.030 9.601 1.00 0.00 C ATOM 783 CE2 PHE A 52 -2.880 1.991 8.382 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.147 1.344 9.388 1.00 0.00 C ATOM 0 H PHE A 52 -2.399 -2.266 6.392 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.011 -1.958 5.077 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.677 -0.218 6.592 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.347 -1.668 7.520 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.330 -1.818 8.964 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.336 1.761 6.814 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.746 -0.528 10.378 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.757 3.052 8.222 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.457 1.907 9.999 1.00 0.00 H new ATOM 794 N ALA A 53 -4.282 0.334 4.120 1.00 0.00 N ATOM 795 CA ALA A 53 -3.755 1.416 3.305 1.00 0.00 C ATOM 796 C ALA A 53 -4.773 2.555 3.227 1.00 0.00 C ATOM 797 O ALA A 53 -5.923 2.394 3.629 1.00 0.00 O ATOM 798 CB ALA A 53 -3.414 0.886 1.913 1.00 0.00 C ATOM 0 H ALA A 53 -5.298 0.250 4.082 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.845 1.808 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.019 1.697 1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.666 0.097 1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.313 0.485 1.446 1.00 0.00 H new ATOM 804 N PHE A 54 -4.341 3.706 2.704 1.00 0.00 N ATOM 805 CA PHE A 54 -5.178 4.889 2.607 1.00 0.00 C ATOM 806 C PHE A 54 -4.961 5.631 1.295 1.00 0.00 C ATOM 807 O PHE A 54 -3.857 5.666 0.750 1.00 0.00 O ATOM 808 CB PHE A 54 -4.898 5.807 3.797 1.00 0.00 C ATOM 809 CG PHE A 54 -5.802 5.529 4.976 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.152 5.891 4.894 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.301 4.922 6.135 1.00 0.00 C ATOM 812 CE1 PHE A 54 -8.009 5.643 5.969 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.162 4.670 7.213 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.510 5.038 7.128 1.00 0.00 C ATOM 0 H PHE A 54 -3.398 3.836 2.337 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.221 4.573 2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.859 5.688 4.105 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.022 6.845 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.531 6.362 3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.258 4.650 6.198 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.052 5.917 5.906 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.786 4.193 8.106 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.170 4.854 7.963 1.00 0.00 H new ATOM 824 N VAL A 55 -6.039 6.229 0.788 1.00 0.00 N ATOM 825 CA VAL A 55 -6.019 7.033 -0.425 1.00 0.00 C ATOM 826 C VAL A 55 -6.827 8.295 -0.172 1.00 0.00 C ATOM 827 O VAL A 55 -7.891 8.242 0.444 1.00 0.00 O ATOM 828 CB VAL A 55 -6.594 6.243 -1.605 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.667 7.125 -2.850 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.719 5.031 -1.918 1.00 0.00 C ATOM 0 H VAL A 55 -6.962 6.165 1.218 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.993 7.298 -0.681 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.594 5.910 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.077 6.550 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.309 7.983 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.667 7.472 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.144 4.483 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.713 5.365 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.674 4.379 -1.045 1.00 0.00 H new ATOM 840 N GLN A 56 -6.323 9.431 -0.648 1.00 0.00 N ATOM 841 CA GLN A 56 -6.959 10.723 -0.469 1.00 0.00 C ATOM 842 C GLN A 56 -7.326 11.288 -1.837 1.00 0.00 C ATOM 843 O GLN A 56 -6.453 11.646 -2.627 1.00 0.00 O ATOM 844 CB GLN A 56 -5.997 11.637 0.301 1.00 0.00 C ATOM 845 CG GLN A 56 -6.598 12.994 0.652 1.00 0.00 C ATOM 846 CD GLN A 56 -7.730 12.857 1.663 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.499 12.803 2.867 1.00 0.00 O ATOM 848 NE2 GLN A 56 -8.965 12.796 1.178 1.00 0.00 N ATOM 0 H GLN A 56 -5.451 9.475 -1.175 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.879 10.638 0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.689 11.136 1.219 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.098 11.790 -0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.822 13.643 1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.972 13.473 -0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.120 12.844 0.171 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.758 12.701 1.813 1.00 0.00 H new ATOM 857 N TYR A 57 -8.629 11.362 -2.107 1.00 0.00 N ATOM 858 CA TYR A 57 -9.147 11.937 -3.341 1.00 0.00 C ATOM 859 C TYR A 57 -9.399 13.431 -3.168 1.00 0.00 C ATOM 860 O TYR A 57 -9.140 13.995 -2.106 1.00 0.00 O ATOM 861 CB TYR A 57 -10.448 11.244 -3.744 1.00 0.00 C ATOM 862 CG TYR A 57 -10.311 9.827 -4.249 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.396 9.520 -5.265 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.127 8.822 -3.713 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.330 8.219 -5.782 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.072 7.521 -4.234 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.176 7.218 -5.272 1.00 0.00 C ATOM 868 OH TYR A 57 -10.137 5.954 -5.771 1.00 0.00 O ATOM 0 H TYR A 57 -9.353 11.024 -1.473 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.404 11.789 -4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.116 11.239 -2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.930 11.840 -4.519 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.741 10.287 -5.650 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.799 9.049 -2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.630 7.985 -6.571 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.719 6.752 -3.837 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.549 5.930 -6.555 1.00 0.00 H new ATOM 878 N VAL A 58 -9.913 14.069 -4.224 1.00 0.00 N ATOM 879 CA VAL A 58 -10.200 15.494 -4.206 1.00 0.00 C ATOM 880 C VAL A 58 -11.560 15.772 -3.558 1.00 0.00 C ATOM 881 O VAL A 58 -11.769 16.853 -3.006 1.00 0.00 O ATOM 882 CB VAL A 58 -10.163 16.032 -5.641 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.484 17.524 -5.695 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.771 15.839 -6.240 1.00 0.00 C ATOM 0 H VAL A 58 -10.138 13.610 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.443 16.003 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.913 15.478 -6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.447 17.867 -6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.481 17.696 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.753 18.075 -5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.757 16.225 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.038 16.377 -5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.523 14.778 -6.250 1.00 0.00 H new ATOM 894 N ASN A 59 -12.483 14.806 -3.620 1.00 0.00 N ATOM 895 CA ASN A 59 -13.833 14.970 -3.098 1.00 0.00 C ATOM 896 C ASN A 59 -14.448 13.633 -2.678 1.00 0.00 C ATOM 897 O ASN A 59 -13.849 12.576 -2.870 1.00 0.00 O ATOM 898 CB ASN A 59 -14.697 15.635 -4.173 1.00 0.00 C ATOM 899 CG ASN A 59 -14.764 14.797 -5.438 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.209 13.657 -5.415 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.322 15.355 -6.556 1.00 0.00 N ATOM 0 H ASN A 59 -12.309 13.890 -4.035 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.788 15.596 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.704 15.790 -3.786 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.291 16.619 -4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.347 14.832 -7.431 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.957 16.307 -6.541 1.00 0.00 H new ATOM 908 N GLU A 60 -15.652 13.695 -2.104 1.00 0.00 N ATOM 909 CA GLU A 60 -16.378 12.527 -1.616 1.00 0.00 C ATOM 910 C GLU A 60 -16.859 11.646 -2.766 1.00 0.00 C ATOM 911 O GLU A 60 -16.871 10.423 -2.644 1.00 0.00 O ATOM 912 CB GLU A 60 -17.565 13.009 -0.775 1.00 0.00 C ATOM 913 CG GLU A 60 -18.580 11.885 -0.552 1.00 0.00 C ATOM 914 CD GLU A 60 -19.643 12.268 0.477 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.062 13.445 0.475 1.00 0.00 O ATOM 916 OE2 GLU A 60 -20.030 11.374 1.262 1.00 0.00 O ATOM 0 H GLU A 60 -16.154 14.572 -1.965 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.709 11.919 -1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.207 13.375 0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.051 13.847 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.063 11.640 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.059 10.988 -0.218 1.00 0.00 H new ATOM 923 N ARG A 61 -17.251 12.262 -3.878 1.00 0.00 N ATOM 924 CA ARG A 61 -17.767 11.552 -5.040 1.00 0.00 C ATOM 925 C ARG A 61 -16.736 10.540 -5.538 1.00 0.00 C ATOM 926 O ARG A 61 -17.086 9.429 -5.928 1.00 0.00 O ATOM 927 CB ARG A 61 -18.134 12.621 -6.077 1.00 0.00 C ATOM 928 CG ARG A 61 -17.812 12.271 -7.532 1.00 0.00 C ATOM 929 CD ARG A 61 -18.701 11.141 -8.041 1.00 0.00 C ATOM 930 NE ARG A 61 -18.377 10.801 -9.431 1.00 0.00 N ATOM 931 CZ ARG A 61 -18.760 9.674 -10.038 1.00 0.00 C ATOM 932 NH1 ARG A 61 -19.489 8.769 -9.392 1.00 0.00 N ATOM 933 NH2 ARG A 61 -18.411 9.451 -11.301 1.00 0.00 N ATOM 0 H ARG A 61 -17.218 13.275 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.656 10.964 -4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.202 12.825 -5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.614 13.544 -5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.947 13.153 -8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.765 11.978 -7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.575 10.262 -7.409 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.748 11.437 -7.970 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.824 11.468 -9.969 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.762 8.931 -8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.776 7.912 -9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.852 10.139 -11.805 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.702 8.591 -11.766 1.00 0.00 H new ATOM 947 N ASN A 62 -15.460 10.920 -5.526 1.00 0.00 N ATOM 948 CA ASN A 62 -14.382 10.046 -5.957 1.00 0.00 C ATOM 949 C ASN A 62 -14.218 8.883 -4.976 1.00 0.00 C ATOM 950 O ASN A 62 -13.909 7.763 -5.377 1.00 0.00 O ATOM 951 CB ASN A 62 -13.096 10.871 -6.053 1.00 0.00 C ATOM 952 CG ASN A 62 -13.005 11.679 -7.342 1.00 0.00 C ATOM 953 OD1 ASN A 62 -11.997 11.630 -8.037 1.00 0.00 O ATOM 954 ND2 ASN A 62 -14.046 12.430 -7.687 1.00 0.00 N ATOM 0 H ASN A 62 -15.149 11.841 -5.217 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.611 9.621 -6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.040 11.548 -5.201 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.236 10.204 -5.987 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.016 12.980 -8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.875 12.456 -7.094 1.00 0.00 H new ATOM 961 N ALA A 63 -14.427 9.133 -3.678 1.00 0.00 N ATOM 962 CA ALA A 63 -14.301 8.086 -2.676 1.00 0.00 C ATOM 963 C ALA A 63 -15.419 7.062 -2.818 1.00 0.00 C ATOM 964 O ALA A 63 -15.164 5.867 -2.719 1.00 0.00 O ATOM 965 CB ALA A 63 -14.311 8.698 -1.278 1.00 0.00 C ATOM 0 H ALA A 63 -14.682 10.048 -3.306 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.352 7.572 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.216 7.907 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.476 9.392 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.248 9.233 -1.122 1.00 0.00 H new ATOM 971 N ARG A 64 -16.654 7.516 -3.056 1.00 0.00 N ATOM 972 CA ARG A 64 -17.784 6.611 -3.216 1.00 0.00 C ATOM 973 C ARG A 64 -17.590 5.750 -4.462 1.00 0.00 C ATOM 974 O ARG A 64 -18.118 4.642 -4.533 1.00 0.00 O ATOM 975 CB ARG A 64 -19.080 7.419 -3.373 1.00 0.00 C ATOM 976 CG ARG A 64 -19.406 8.306 -2.170 1.00 0.00 C ATOM 977 CD ARG A 64 -19.799 7.491 -0.940 1.00 0.00 C ATOM 978 NE ARG A 64 -20.087 8.388 0.185 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.391 7.983 1.419 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.481 6.690 1.712 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.610 8.890 2.365 1.00 0.00 N ATOM 0 H ARG A 64 -16.891 8.505 -3.141 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.848 5.974 -2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.002 8.044 -4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.908 6.730 -3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.541 8.925 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.220 8.983 -2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.674 6.881 -1.162 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.993 6.807 -0.674 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.052 9.392 0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.317 5.990 0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.714 6.397 2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.545 9.884 2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.843 8.593 3.312 1.00 0.00 H new ATOM 995 N ALA A 65 -16.835 6.256 -5.443 1.00 0.00 N ATOM 996 CA ALA A 65 -16.605 5.549 -6.691 1.00 0.00 C ATOM 997 C ALA A 65 -15.717 4.328 -6.477 1.00 0.00 C ATOM 998 O ALA A 65 -15.964 3.274 -7.058 1.00 0.00 O ATOM 999 CB ALA A 65 -15.944 6.501 -7.688 1.00 0.00 C ATOM 0 H ALA A 65 -16.372 7.163 -5.387 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.563 5.204 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.768 5.978 -8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.598 7.355 -7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.994 6.850 -7.283 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.680 4.455 -5.641 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.784 3.337 -5.380 1.00 0.00 C ATOM 1007 C ALA A 66 -14.250 2.498 -4.187 1.00 0.00 C ATOM 1008 O ALA A 66 -13.973 1.301 -4.133 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.376 3.874 -5.161 1.00 0.00 C ATOM 0 H ALA A 66 -14.447 5.313 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.790 2.672 -6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.697 3.045 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.048 4.409 -6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.374 4.554 -4.309 1.00 0.00 H new ATOM 1015 N VAL A 67 -14.957 3.110 -3.234 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.491 2.399 -2.078 1.00 0.00 C ATOM 1017 C VAL A 67 -16.632 1.474 -2.498 1.00 0.00 C ATOM 1018 O VAL A 67 -16.926 0.507 -1.798 1.00 0.00 O ATOM 1019 CB VAL A 67 -15.921 3.408 -1.003 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.842 2.780 0.039 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.669 3.933 -0.306 1.00 0.00 C ATOM 0 H VAL A 67 -15.173 4.107 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.715 1.766 -1.647 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.472 4.212 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.120 3.531 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.740 2.402 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.325 1.958 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.954 4.652 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.134 3.103 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.023 4.420 -1.037 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.265 1.754 -3.638 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.264 0.862 -4.207 1.00 0.00 C ATOM 1033 C ALA A 68 -17.775 0.195 -5.496 1.00 0.00 C ATOM 1034 O ALA A 68 -18.436 -0.711 -6.003 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.553 1.650 -4.449 1.00 0.00 C ATOM 0 H ALA A 68 -17.099 2.599 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.454 0.056 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.308 0.990 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.916 2.053 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.354 2.469 -5.140 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.626 0.629 -6.031 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.102 0.101 -7.285 1.00 0.00 C ATOM 1043 C GLY A 69 -15.029 -0.973 -7.107 1.00 0.00 C ATOM 1044 O GLY A 69 -14.795 -1.751 -8.029 1.00 0.00 O ATOM 0 H GLY A 69 -16.042 1.350 -5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.926 -0.316 -7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.686 0.923 -7.868 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.376 -1.033 -5.944 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.288 -1.973 -5.692 1.00 0.00 C ATOM 1050 C GLU A 70 -13.524 -2.786 -4.424 1.00 0.00 C ATOM 1051 O GLU A 70 -12.875 -3.810 -4.231 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.972 -1.198 -5.556 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.552 -0.482 -6.843 1.00 0.00 C ATOM 1054 CD GLU A 70 -11.022 -1.453 -7.894 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -9.915 -1.987 -7.675 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -11.719 -1.662 -8.912 1.00 0.00 O ATOM 0 H GLU A 70 -14.589 -0.429 -5.151 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.241 -2.666 -6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.072 -0.464 -4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.182 -1.887 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.405 0.061 -7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.784 0.256 -6.612 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.435 -2.363 -3.545 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.659 -3.073 -2.297 1.00 0.00 C ATOM 1065 C ASP A 71 -15.047 -4.529 -2.553 1.00 0.00 C ATOM 1066 O ASP A 71 -15.911 -4.815 -3.384 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.734 -2.353 -1.485 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.121 -3.157 -0.247 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.192 -3.626 0.447 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.342 -3.296 -0.010 1.00 0.00 O ATOM 0 H ASP A 71 -15.022 -1.539 -3.678 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.731 -3.081 -1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.370 -1.371 -1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.615 -2.190 -2.106 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.403 -5.451 -1.829 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.684 -6.873 -1.926 1.00 0.00 C ATOM 1077 C GLY A 72 -13.959 -7.536 -3.094 1.00 0.00 C ATOM 1078 O GLY A 72 -14.298 -8.659 -3.464 1.00 0.00 O ATOM 0 H GLY A 72 -13.670 -5.222 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.391 -7.362 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.758 -7.021 -2.039 1.00 0.00 H new ATOM 1082 N ARG A 73 -12.961 -6.858 -3.681 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.225 -7.413 -4.815 1.00 0.00 C ATOM 1084 C ARG A 73 -10.974 -8.145 -4.350 1.00 0.00 C ATOM 1085 O ARG A 73 -10.503 -7.917 -3.238 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.886 -6.334 -5.843 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.634 -5.532 -5.478 1.00 0.00 C ATOM 1088 CD ARG A 73 -10.122 -4.784 -6.706 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.487 -5.708 -7.652 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.824 -5.317 -8.742 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.709 -4.029 -9.051 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -8.267 -6.225 -9.539 1.00 0.00 N ATOM 0 H ARG A 73 -12.651 -5.932 -3.388 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.873 -8.139 -5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.740 -6.801 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.732 -5.653 -5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.863 -4.826 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.861 -6.200 -5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.949 -4.268 -7.194 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.406 -4.021 -6.400 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.556 -6.708 -7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.131 -3.321 -8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.198 -3.749 -9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.347 -7.217 -9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.760 -5.929 -10.373 1.00 0.00 H new ATOM 1106 N MET A 74 -10.426 -9.021 -5.195 1.00 0.00 N ATOM 1107 CA MET A 74 -9.186 -9.710 -4.883 1.00 0.00 C ATOM 1108 C MET A 74 -8.001 -9.031 -5.562 1.00 0.00 C ATOM 1109 O MET A 74 -8.088 -8.608 -6.713 1.00 0.00 O ATOM 1110 CB MET A 74 -9.282 -11.188 -5.265 1.00 0.00 C ATOM 1111 CG MET A 74 -7.917 -11.854 -5.073 1.00 0.00 C ATOM 1112 SD MET A 74 -7.977 -13.650 -4.886 1.00 0.00 S ATOM 1113 CE MET A 74 -8.643 -13.685 -3.207 1.00 0.00 C ATOM 0 H MET A 74 -10.827 -9.266 -6.100 1.00 0.00 H new ATOM 0 HA MET A 74 -9.021 -9.655 -3.807 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.031 -11.686 -4.650 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.604 -11.287 -6.302 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.286 -11.612 -5.928 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.439 -11.426 -4.192 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.140 -14.462 -2.632 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.480 -12.718 -2.731 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.712 -13.896 -3.244 1.00 0.00 H new ATOM 1123 N ILE A 75 -6.888 -8.931 -4.827 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.633 -8.382 -5.315 1.00 0.00 C ATOM 1125 C ILE A 75 -4.501 -9.197 -4.698 1.00 0.00 C ATOM 1126 O ILE A 75 -4.511 -9.468 -3.498 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.511 -6.905 -4.931 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.731 -6.108 -5.414 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -4.224 -6.304 -5.503 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.699 -4.654 -4.946 1.00 0.00 C ATOM 0 H ILE A 75 -6.841 -9.238 -3.856 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.588 -8.440 -6.403 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.472 -6.843 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.772 -6.136 -6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.641 -6.585 -5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.155 -5.254 -5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.363 -6.844 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.236 -6.386 -6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.583 -4.134 -5.314 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.687 -4.623 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.804 -4.167 -5.333 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.524 -9.584 -5.523 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.371 -10.380 -5.109 1.00 0.00 C ATOM 1144 C ALA A 76 -2.723 -11.652 -4.324 1.00 0.00 C ATOM 1145 O ALA A 76 -1.840 -12.245 -3.704 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.390 -9.491 -4.349 1.00 0.00 C ATOM 0 H ALA A 76 -3.515 -9.347 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.900 -10.754 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.528 -10.082 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.059 -8.679 -4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.881 -9.076 -3.469 1.00 0.00 H new ATOM 1152 N GLY A 77 -3.990 -12.085 -4.336 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.399 -13.324 -3.691 1.00 0.00 C ATOM 1154 C GLY A 77 -5.176 -13.118 -2.388 1.00 0.00 C ATOM 1155 O GLY A 77 -5.538 -14.099 -1.741 1.00 0.00 O ATOM 0 H GLY A 77 -4.752 -11.584 -4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.016 -13.896 -4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.513 -13.924 -3.483 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.441 -11.869 -1.991 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.272 -11.580 -0.827 1.00 0.00 C ATOM 1161 C GLN A 78 -7.364 -10.588 -1.212 1.00 0.00 C ATOM 1162 O GLN A 78 -7.194 -9.798 -2.139 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.455 -11.001 0.338 1.00 0.00 C ATOM 1164 CG GLN A 78 -4.464 -11.979 0.973 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.104 -11.964 0.287 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -2.264 -11.118 0.577 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -2.873 -12.897 -0.628 1.00 0.00 N ATOM 0 H GLN A 78 -5.087 -11.039 -2.466 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.709 -12.522 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.906 -10.130 -0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.143 -10.651 1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.338 -11.730 2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.877 -12.987 0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.592 -13.586 -0.846 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.976 -12.925 -1.113 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.492 -10.628 -0.497 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.553 -9.645 -0.671 1.00 0.00 C ATOM 1178 C VAL A 79 -9.348 -8.529 0.337 1.00 0.00 C ATOM 1179 O VAL A 79 -8.902 -8.773 1.455 1.00 0.00 O ATOM 1180 CB VAL A 79 -10.936 -10.286 -0.523 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -12.053 -9.244 -0.634 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.140 -11.330 -1.621 1.00 0.00 C ATOM 0 H VAL A 79 -8.690 -11.336 0.210 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.508 -9.235 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.981 -10.748 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.020 -9.734 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.934 -8.497 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.001 -8.758 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.125 -11.784 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.067 -10.850 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.374 -12.101 -1.537 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.678 -7.301 -0.062 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.504 -6.122 0.763 1.00 0.00 C ATOM 1194 C LEU A 80 -10.857 -5.507 1.089 1.00 0.00 C ATOM 1195 O LEU A 80 -11.767 -5.480 0.259 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.536 -5.094 0.149 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.256 -5.153 -1.358 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.518 -6.428 -1.771 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.535 -4.989 -2.170 1.00 0.00 C ATOM 0 H LEU A 80 -10.078 -7.102 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.034 -6.441 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.923 -4.100 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.581 -5.189 0.666 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.597 -4.313 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.346 -6.417 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.561 -6.479 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.120 -7.298 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.299 -5.036 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.232 -5.788 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.990 -4.025 -1.941 1.00 0.00 H new ATOM 1211 N ASP A 81 -10.976 -5.017 2.323 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.191 -4.400 2.816 1.00 0.00 C ATOM 1213 C ASP A 81 -12.070 -2.894 2.609 1.00 0.00 C ATOM 1214 O ASP A 81 -11.407 -2.210 3.387 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.371 -4.763 4.295 1.00 0.00 C ATOM 1216 CG ASP A 81 -13.731 -4.300 4.801 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -14.701 -5.076 4.641 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -13.795 -3.174 5.345 1.00 0.00 O ATOM 0 H ASP A 81 -10.221 -5.041 3.008 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.070 -4.757 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.277 -5.841 4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.581 -4.301 4.887 1.00 0.00 H new ATOM 1223 N ILE A 82 -12.707 -2.372 1.556 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.637 -0.957 1.238 1.00 0.00 C ATOM 1225 C ILE A 82 -13.897 -0.264 1.740 1.00 0.00 C ATOM 1226 O ILE A 82 -15.003 -0.785 1.595 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.434 -0.766 -0.267 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.157 -1.477 -0.722 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.352 0.723 -0.612 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.142 -1.629 -2.240 1.00 0.00 C ATOM 0 H ILE A 82 -13.278 -2.918 0.911 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.782 -0.503 1.738 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.288 -1.200 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.284 -0.911 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.093 -2.458 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.208 0.840 -1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.277 1.217 -0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.513 1.174 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.227 -2.136 -2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.005 -2.215 -2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.183 -0.644 -2.705 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.724 0.917 2.332 1.00 0.00 N ATOM 1243 CA ASN A 83 -14.823 1.650 2.928 1.00 0.00 C ATOM 1244 C ASN A 83 -14.476 3.131 3.000 1.00 0.00 C ATOM 1245 O ASN A 83 -13.307 3.502 2.876 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.071 1.075 4.326 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.410 1.505 4.896 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.424 0.859 4.653 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.434 2.594 5.654 1.00 0.00 N ATOM 0 H ASN A 83 -12.821 1.384 2.408 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.727 1.550 2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.030 -0.013 4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.273 1.397 4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.315 2.917 6.055 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.572 3.108 5.836 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.475 3.994 3.201 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.195 5.400 3.429 1.00 0.00 C ATOM 1258 C LEU A 84 -14.430 5.516 4.748 1.00 0.00 C ATOM 1259 O LEU A 84 -14.581 4.668 5.624 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.486 6.217 3.489 1.00 0.00 C ATOM 1261 CG LEU A 84 -16.385 7.457 2.597 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.809 7.127 1.170 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -17.285 8.550 3.158 1.00 0.00 C ATOM 0 H LEU A 84 -16.464 3.744 3.209 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.601 5.796 2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.327 5.601 3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.684 6.518 4.518 1.00 0.00 H new ATOM 0 HG LEU A 84 -15.350 7.799 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.730 8.021 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.160 6.349 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -17.840 6.775 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.218 9.436 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -18.316 8.197 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.966 8.800 4.170 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.613 6.556 4.903 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.744 6.655 6.065 1.00 0.00 C ATOM 1277 C ALA A 85 -13.474 7.106 7.330 1.00 0.00 C ATOM 1278 O ALA A 85 -12.877 7.123 8.403 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.606 7.610 5.743 1.00 0.00 C ATOM 0 H ALA A 85 -13.537 7.332 4.245 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.363 5.656 6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.946 7.694 6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.042 7.230 4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.013 8.592 5.500 1.00 0.00 H new ATOM 1285 N ALA A 86 -14.752 7.470 7.215 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.534 7.948 8.348 1.00 0.00 C ATOM 1287 C ALA A 86 -16.839 7.172 8.507 1.00 0.00 C ATOM 1288 O ALA A 86 -17.722 7.592 9.254 1.00 0.00 O ATOM 1289 CB ALA A 86 -15.788 9.442 8.176 1.00 0.00 C ATOM 0 H ALA A 86 -15.269 7.441 6.336 1.00 0.00 H new ATOM 0 HA ALA A 86 -14.969 7.781 9.265 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.373 9.811 9.019 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.836 9.971 8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.337 9.613 7.250 1.00 0.00 H new