USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 622 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 25 THR OG1 : rot 150:sc= -1.18 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 CYS SG : rot 179:sc= 0.464 USER MOD Set 2.2: A 26 CYS SG : rot -66:sc= 0.0915 USER MOD Set 2.3: A 28 SER OG : rot 79:sc= 1.09 USER MOD Set 2.4: A 54 ASN : amide:sc= -1.92 K(o=-7.2,f=-13!) USER MOD Set 2.5: A 55 HIS : no HE2:sc= -5.88! C(o=-7.2!,f=-10!) USER MOD Set 2.6: A 58 CYS SG : rot -70:sc= -1.08 USER MOD Set 3.1: A 19 SER OG : rot 160:sc= -0.722 USER MOD Set 3.2: A 31 ASN : amide:sc= -0.234 X(o=-0.96,f=-0.85) USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= -0.0663 (180deg=-0.373) USER MOD Single : A 15 TYR OH : rot -29:sc= -1.92 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 110:sc= -1.13 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -115:sc= -0.45 (180deg=-2.17!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.197 X(o=0.2,f=-0.086) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.641 X(o=-0.64,f=-0.83) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.4) USER MOD Single : A 84 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.9!) USER MOD Single : A 85 LYS NZ :NH3+ -120:sc= 0.306 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 16:sc= 0.625 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.503 11.584 3.973 1.00 0.00 N ATOM 84 CA LYS A 9 9.690 10.623 2.893 1.00 0.00 C ATOM 85 C LYS A 9 8.641 10.819 1.803 1.00 0.00 C ATOM 86 O LYS A 9 7.502 11.203 2.066 1.00 0.00 O ATOM 87 CB LYS A 9 9.616 9.194 3.436 1.00 0.00 C ATOM 88 CG LYS A 9 10.964 8.631 3.851 1.00 0.00 C ATOM 89 CD LYS A 9 10.827 7.643 4.997 1.00 0.00 C ATOM 90 CE LYS A 9 10.472 8.346 6.299 1.00 0.00 C ATOM 91 NZ LYS A 9 10.862 7.540 7.489 1.00 0.00 N ATOM 0 HA LYS A 9 10.676 10.789 2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.944 9.175 4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.180 8.547 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.431 8.138 2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.624 9.446 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.057 6.910 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.761 7.096 5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.971 9.314 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.400 8.539 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.401 7.927 8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.563 6.553 7.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.894 7.576 7.609 1.00 0.00 H new ATOM 105 N PRO A 10 9.032 10.547 0.549 1.00 0.00 N ATOM 106 CA PRO A 10 8.139 10.684 -0.606 1.00 0.00 C ATOM 107 C PRO A 10 7.038 9.629 -0.616 1.00 0.00 C ATOM 108 O PRO A 10 5.885 9.925 -0.930 1.00 0.00 O ATOM 109 CB PRO A 10 9.075 10.492 -1.802 1.00 0.00 C ATOM 110 CG PRO A 10 10.202 9.673 -1.275 1.00 0.00 C ATOM 111 CD PRO A 10 10.375 10.084 0.161 1.00 0.00 C ATOM 0 HA PRO A 10 7.616 11.640 -0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.568 9.986 -2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.427 11.449 -2.186 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.981 8.609 -1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.114 9.851 -1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.707 9.250 0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.118 10.874 0.266 1.00 0.00 H new ATOM 119 N TRP A 11 7.401 8.399 -0.271 1.00 0.00 N ATOM 120 CA TRP A 11 6.443 7.300 -0.240 1.00 0.00 C ATOM 121 C TRP A 11 6.192 6.837 1.190 1.00 0.00 C ATOM 122 O TRP A 11 7.068 6.941 2.049 1.00 0.00 O ATOM 123 CB TRP A 11 6.949 6.131 -1.087 1.00 0.00 C ATOM 124 CG TRP A 11 6.968 6.426 -2.556 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.014 6.928 -3.278 1.00 0.00 C ATOM 126 CD2 TRP A 11 5.892 6.240 -3.482 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.653 7.064 -4.596 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.356 6.649 -4.748 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.583 5.766 -3.366 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.556 6.598 -5.886 1.00 0.00 C ATOM 131 CZ3 TRP A 11 3.790 5.716 -4.496 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.278 6.129 -5.743 1.00 0.00 C ATOM 0 H TRP A 11 8.351 8.138 -0.009 1.00 0.00 H new ATOM 0 HA TRP A 11 5.502 7.660 -0.656 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.956 5.867 -0.764 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.318 5.261 -0.907 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.982 7.181 -2.872 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.253 7.417 -5.341 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.198 5.444 -2.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.930 6.917 -6.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.776 5.352 -4.417 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.633 6.076 -6.608 1.00 0.00 H new ATOM 143 N ARG A 12 4.991 6.325 1.440 1.00 0.00 N ATOM 144 CA ARG A 12 4.625 5.847 2.768 1.00 0.00 C ATOM 145 C ARG A 12 4.167 4.392 2.714 1.00 0.00 C ATOM 146 O ARG A 12 3.616 3.941 1.711 1.00 0.00 O ATOM 147 CB ARG A 12 3.518 6.720 3.361 1.00 0.00 C ATOM 148 CG ARG A 12 2.130 6.378 2.845 1.00 0.00 C ATOM 149 CD ARG A 12 1.121 7.458 3.203 1.00 0.00 C ATOM 150 NE ARG A 12 0.845 7.495 4.637 1.00 0.00 N ATOM 151 CZ ARG A 12 0.177 8.477 5.232 1.00 0.00 C ATOM 152 NH1 ARG A 12 -0.281 9.497 4.520 1.00 0.00 N ATOM 153 NH2 ARG A 12 -0.034 8.439 6.541 1.00 0.00 N ATOM 0 H ARG A 12 4.255 6.231 0.740 1.00 0.00 H new ATOM 0 HA ARG A 12 5.507 5.909 3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.528 6.618 4.446 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.732 7.765 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.163 6.254 1.763 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.809 5.425 3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.499 8.428 2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.193 7.282 2.660 1.00 0.00 H new ATOM 0 HE ARG A 12 1.184 6.724 5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.121 9.529 3.513 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.794 10.250 4.979 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.317 7.655 7.092 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.547 9.194 6.997 1.00 0.00 H new ATOM 167 N ALA A 13 4.398 3.664 3.802 1.00 0.00 N ATOM 168 CA ALA A 13 4.008 2.262 3.880 1.00 0.00 C ATOM 169 C ALA A 13 3.282 1.966 5.188 1.00 0.00 C ATOM 170 O ALA A 13 3.856 2.095 6.269 1.00 0.00 O ATOM 171 CB ALA A 13 5.229 1.366 3.736 1.00 0.00 C ATOM 0 H ALA A 13 4.853 4.022 4.641 1.00 0.00 H new ATOM 0 HA ALA A 13 3.321 2.055 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.923 0.322 3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.704 1.550 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.936 1.583 4.536 1.00 0.00 H new ATOM 177 N GLU A 14 2.018 1.569 5.082 1.00 0.00 N ATOM 178 CA GLU A 14 1.215 1.256 6.258 1.00 0.00 C ATOM 179 C GLU A 14 -0.037 0.475 5.870 1.00 0.00 C ATOM 180 O GLU A 14 -0.586 0.660 4.783 1.00 0.00 O ATOM 181 CB GLU A 14 0.822 2.540 6.990 1.00 0.00 C ATOM 182 CG GLU A 14 0.073 3.534 6.118 1.00 0.00 C ATOM 183 CD GLU A 14 -0.003 4.915 6.740 1.00 0.00 C ATOM 184 OE1 GLU A 14 1.056 5.454 7.121 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.124 5.456 6.845 1.00 0.00 O ATOM 0 H GLU A 14 1.528 1.457 4.194 1.00 0.00 H new ATOM 0 HA GLU A 14 1.817 0.636 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.201 2.283 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.722 3.017 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.565 3.603 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.937 3.165 5.938 1.00 0.00 H new ATOM 192 N TYR A 15 -0.483 -0.399 6.765 1.00 0.00 N ATOM 193 CA TYR A 15 -1.669 -1.211 6.516 1.00 0.00 C ATOM 194 C TYR A 15 -2.940 -0.383 6.678 1.00 0.00 C ATOM 195 O TYR A 15 -3.143 0.270 7.702 1.00 0.00 O ATOM 196 CB TYR A 15 -1.701 -2.408 7.467 1.00 0.00 C ATOM 197 CG TYR A 15 -0.823 -3.556 7.026 1.00 0.00 C ATOM 198 CD1 TYR A 15 0.173 -3.369 6.075 1.00 0.00 C ATOM 199 CD2 TYR A 15 -0.988 -4.829 7.558 1.00 0.00 C ATOM 200 CE1 TYR A 15 0.978 -4.415 5.667 1.00 0.00 C ATOM 201 CE2 TYR A 15 -0.187 -5.880 7.158 1.00 0.00 C ATOM 202 CZ TYR A 15 0.795 -5.669 6.213 1.00 0.00 C ATOM 203 OH TYR A 15 1.594 -6.714 5.810 1.00 0.00 O ATOM 0 H TYR A 15 -0.041 -0.564 7.670 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.622 -1.573 5.489 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.387 -2.082 8.459 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.728 -2.761 7.558 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.320 -2.388 5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.756 -4.999 8.298 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.746 -4.252 4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.329 -6.863 7.583 1.00 0.00 H new ATOM 0 HH TYR A 15 1.881 -6.568 4.884 1.00 0.00 H new ATOM 213 N ALA A 16 -3.794 -0.416 5.660 1.00 0.00 N ATOM 214 CA ALA A 16 -5.047 0.328 5.690 1.00 0.00 C ATOM 215 C ALA A 16 -5.847 0.007 6.948 1.00 0.00 C ATOM 216 O ALA A 16 -5.741 -1.088 7.501 1.00 0.00 O ATOM 217 CB ALA A 16 -5.870 0.025 4.447 1.00 0.00 C ATOM 0 H ALA A 16 -3.641 -0.950 4.805 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.809 1.392 5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.803 0.587 4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.307 0.312 3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.090 -1.042 4.408 1.00 0.00 H new ATOM 223 N LYS A 17 -6.647 0.968 7.396 1.00 0.00 N ATOM 224 CA LYS A 17 -7.467 0.787 8.588 1.00 0.00 C ATOM 225 C LYS A 17 -8.934 0.601 8.217 1.00 0.00 C ATOM 226 O LYS A 17 -9.669 -0.118 8.894 1.00 0.00 O ATOM 227 CB LYS A 17 -7.314 1.990 9.523 1.00 0.00 C ATOM 228 CG LYS A 17 -5.899 2.183 10.040 1.00 0.00 C ATOM 229 CD LYS A 17 -5.834 3.277 11.092 1.00 0.00 C ATOM 230 CE LYS A 17 -4.587 3.150 11.953 1.00 0.00 C ATOM 231 NZ LYS A 17 -3.390 3.733 11.286 1.00 0.00 N ATOM 0 H LYS A 17 -6.745 1.881 6.951 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.125 -0.112 9.102 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.625 2.892 8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.988 1.868 10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.535 1.247 10.464 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.239 2.435 9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.843 4.252 10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.720 3.228 11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.752 3.652 12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.404 2.098 12.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.561 3.626 11.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.217 3.238 10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.554 4.743 11.098 1.00 0.00 H new ATOM 245 N SER A 18 -9.354 1.253 7.138 1.00 0.00 N ATOM 246 CA SER A 18 -10.735 1.161 6.678 1.00 0.00 C ATOM 247 C SER A 18 -10.796 1.055 5.157 1.00 0.00 C ATOM 248 O SER A 18 -9.883 1.492 4.457 1.00 0.00 O ATOM 249 CB SER A 18 -11.534 2.379 7.148 1.00 0.00 C ATOM 250 OG SER A 18 -12.919 2.086 7.213 1.00 0.00 O ATOM 0 H SER A 18 -8.758 1.851 6.566 1.00 0.00 H new ATOM 0 HA SER A 18 -11.174 0.260 7.105 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.179 2.694 8.129 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.367 3.213 6.466 1.00 0.00 H new ATOM 0 HG SER A 18 -13.407 2.879 7.517 1.00 0.00 H new ATOM 256 N SER A 19 -11.878 0.471 4.654 1.00 0.00 N ATOM 257 CA SER A 19 -12.058 0.303 3.217 1.00 0.00 C ATOM 258 C SER A 19 -12.709 1.538 2.602 1.00 0.00 C ATOM 259 O SER A 19 -13.564 1.431 1.724 1.00 0.00 O ATOM 260 CB SER A 19 -12.911 -0.934 2.929 1.00 0.00 C ATOM 261 OG SER A 19 -12.546 -2.013 3.771 1.00 0.00 O ATOM 0 H SER A 19 -12.644 0.106 5.220 1.00 0.00 H new ATOM 0 HA SER A 19 -11.074 0.170 2.766 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.964 -0.695 3.075 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.792 -1.227 1.886 1.00 0.00 H new ATOM 0 HG SER A 19 -13.279 -2.663 3.807 1.00 0.00 H new ATOM 267 N ARG A 20 -12.297 2.712 3.072 1.00 0.00 N ATOM 268 CA ARG A 20 -12.841 3.968 2.571 1.00 0.00 C ATOM 269 C ARG A 20 -12.004 4.498 1.410 1.00 0.00 C ATOM 270 O ARG A 20 -12.540 5.018 0.432 1.00 0.00 O ATOM 271 CB ARG A 20 -12.894 5.008 3.691 1.00 0.00 C ATOM 272 CG ARG A 20 -14.013 4.769 4.692 1.00 0.00 C ATOM 273 CD ARG A 20 -15.367 5.151 4.114 1.00 0.00 C ATOM 274 NE ARG A 20 -15.603 6.591 4.177 1.00 0.00 N ATOM 275 CZ ARG A 20 -16.480 7.227 3.408 1.00 0.00 C ATOM 276 NH1 ARG A 20 -17.200 6.553 2.522 1.00 0.00 N ATOM 277 NH2 ARG A 20 -16.637 8.539 3.525 1.00 0.00 N ATOM 0 H ARG A 20 -11.589 2.819 3.798 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.852 3.779 2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.940 5.010 4.219 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.017 5.998 3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.024 3.719 4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.825 5.349 5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.425 4.819 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.154 4.631 4.660 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.065 7.139 4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.081 5.544 2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.873 7.043 1.933 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.084 9.060 4.206 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.310 9.027 2.934 1.00 0.00 H new ATOM 291 N SER A 21 -10.686 4.363 1.527 1.00 0.00 N ATOM 292 CA SER A 21 -9.775 4.832 0.490 1.00 0.00 C ATOM 293 C SER A 21 -9.824 3.917 -0.730 1.00 0.00 C ATOM 294 O SER A 21 -9.963 2.701 -0.603 1.00 0.00 O ATOM 295 CB SER A 21 -8.346 4.903 1.032 1.00 0.00 C ATOM 296 OG SER A 21 -7.763 3.613 1.103 1.00 0.00 O ATOM 0 H SER A 21 -10.226 3.933 2.329 1.00 0.00 H new ATOM 0 HA SER A 21 -10.091 5.830 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.742 5.544 0.390 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.351 5.358 2.022 1.00 0.00 H new ATOM 0 HG SER A 21 -7.061 3.533 0.424 1.00 0.00 H new ATOM 302 N SER A 22 -9.708 4.512 -1.913 1.00 0.00 N ATOM 303 CA SER A 22 -9.743 3.753 -3.157 1.00 0.00 C ATOM 304 C SER A 22 -8.516 4.055 -4.012 1.00 0.00 C ATOM 305 O SER A 22 -8.111 5.209 -4.153 1.00 0.00 O ATOM 306 CB SER A 22 -11.016 4.076 -3.941 1.00 0.00 C ATOM 307 OG SER A 22 -12.152 4.070 -3.094 1.00 0.00 O ATOM 0 H SER A 22 -9.589 5.518 -2.036 1.00 0.00 H new ATOM 0 HA SER A 22 -9.738 2.692 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.917 5.053 -4.415 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.150 3.346 -4.740 1.00 0.00 H new ATOM 0 HG SER A 22 -12.952 4.281 -3.619 1.00 0.00 H new ATOM 313 N CYS A 23 -7.927 3.008 -4.581 1.00 0.00 N ATOM 314 CA CYS A 23 -6.746 3.158 -5.422 1.00 0.00 C ATOM 315 C CYS A 23 -7.036 4.071 -6.610 1.00 0.00 C ATOM 316 O CYS A 23 -8.192 4.284 -6.976 1.00 0.00 O ATOM 317 CB CYS A 23 -6.271 1.791 -5.920 1.00 0.00 C ATOM 318 SG CYS A 23 -4.818 1.862 -7.016 1.00 0.00 S ATOM 0 H CYS A 23 -8.249 2.046 -4.475 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.958 3.612 -4.821 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.033 1.165 -5.060 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.090 1.305 -6.451 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.481 0.657 -7.368 1.00 0.00 H new ATOM 323 N LYS A 24 -5.978 4.608 -7.208 1.00 0.00 N ATOM 324 CA LYS A 24 -6.117 5.497 -8.356 1.00 0.00 C ATOM 325 C LYS A 24 -5.648 4.811 -9.635 1.00 0.00 C ATOM 326 O LYS A 24 -6.196 5.043 -10.713 1.00 0.00 O ATOM 327 CB LYS A 24 -5.317 6.782 -8.131 1.00 0.00 C ATOM 328 CG LYS A 24 -5.787 7.589 -6.933 1.00 0.00 C ATOM 329 CD LYS A 24 -6.936 8.513 -7.299 1.00 0.00 C ATOM 330 CE LYS A 24 -7.430 9.294 -6.091 1.00 0.00 C ATOM 331 NZ LYS A 24 -8.666 10.067 -6.398 1.00 0.00 N ATOM 0 H LYS A 24 -5.014 4.443 -6.917 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.172 5.747 -8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.266 6.527 -7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.383 7.402 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.102 6.913 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.957 8.177 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.613 9.207 -8.075 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.756 7.928 -7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.627 8.606 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.649 9.976 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.971 10.586 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.472 10.742 -7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.419 9.414 -6.694 1.00 0.00 H new ATOM 345 N THR A 25 -4.631 3.964 -9.509 1.00 0.00 N ATOM 346 CA THR A 25 -4.089 3.244 -10.655 1.00 0.00 C ATOM 347 C THR A 25 -5.123 2.292 -11.245 1.00 0.00 C ATOM 348 O THR A 25 -5.337 2.266 -12.457 1.00 0.00 O ATOM 349 CB THR A 25 -2.830 2.444 -10.271 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.687 3.307 -10.255 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.596 1.302 -11.248 1.00 0.00 C ATOM 0 H THR A 25 -4.166 3.760 -8.624 1.00 0.00 H new ATOM 0 HA THR A 25 -3.821 3.992 -11.401 1.00 0.00 H new ATOM 0 HB THR A 25 -2.982 2.025 -9.276 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.040 2.981 -9.595 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.702 0.751 -10.957 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.455 0.631 -11.236 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.463 1.704 -12.252 1.00 0.00 H new ATOM 359 N CYS A 26 -5.761 1.510 -10.380 1.00 0.00 N ATOM 360 CA CYS A 26 -6.773 0.555 -10.816 1.00 0.00 C ATOM 361 C CYS A 26 -8.177 1.099 -10.566 1.00 0.00 C ATOM 362 O CYS A 26 -9.155 0.609 -11.132 1.00 0.00 O ATOM 363 CB CYS A 26 -6.594 -0.778 -10.086 1.00 0.00 C ATOM 364 SG CYS A 26 -7.055 -0.729 -8.324 1.00 0.00 S ATOM 0 H CYS A 26 -5.595 1.519 -9.374 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.649 0.395 -11.887 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.194 -1.538 -10.587 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.553 -1.089 -10.170 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.235 0.050 -7.683 1.00 0.00 H new ATOM 369 N LYS A 27 -8.269 2.115 -9.715 1.00 0.00 N ATOM 370 CA LYS A 27 -9.552 2.728 -9.391 1.00 0.00 C ATOM 371 C LYS A 27 -10.441 1.756 -8.621 1.00 0.00 C ATOM 372 O LYS A 27 -11.627 1.617 -8.918 1.00 0.00 O ATOM 373 CB LYS A 27 -10.261 3.182 -10.669 1.00 0.00 C ATOM 374 CG LYS A 27 -9.407 4.071 -11.556 1.00 0.00 C ATOM 375 CD LYS A 27 -9.186 5.437 -10.928 1.00 0.00 C ATOM 376 CE LYS A 27 -10.404 6.332 -11.099 1.00 0.00 C ATOM 377 NZ LYS A 27 -11.370 6.175 -9.976 1.00 0.00 N ATOM 0 H LYS A 27 -7.470 2.532 -9.237 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.362 3.596 -8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.567 2.303 -11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.170 3.719 -10.399 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.445 3.592 -11.735 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.889 4.189 -12.526 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.965 5.320 -9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.317 5.912 -11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.084 7.372 -11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.900 6.095 -12.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.258 5.771 -10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.967 5.540 -9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.560 7.104 -9.549 1.00 0.00 H new ATOM 391 N SER A 28 -9.859 1.087 -7.631 1.00 0.00 N ATOM 392 CA SER A 28 -10.598 0.126 -6.821 1.00 0.00 C ATOM 393 C SER A 28 -10.553 0.512 -5.345 1.00 0.00 C ATOM 394 O SER A 28 -9.895 1.480 -4.965 1.00 0.00 O ATOM 395 CB SER A 28 -10.025 -1.280 -7.009 1.00 0.00 C ATOM 396 OG SER A 28 -9.784 -1.553 -8.379 1.00 0.00 O ATOM 0 H SER A 28 -8.878 1.193 -7.371 1.00 0.00 H new ATOM 0 HA SER A 28 -11.637 0.134 -7.150 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.096 -1.376 -6.447 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.720 -2.016 -6.605 1.00 0.00 H new ATOM 0 HG SER A 28 -8.951 -1.118 -8.658 1.00 0.00 H new ATOM 402 N VAL A 29 -11.258 -0.254 -4.518 1.00 0.00 N ATOM 403 CA VAL A 29 -11.299 0.006 -3.084 1.00 0.00 C ATOM 404 C VAL A 29 -10.178 -0.732 -2.360 1.00 0.00 C ATOM 405 O VAL A 29 -9.892 -1.892 -2.657 1.00 0.00 O ATOM 406 CB VAL A 29 -12.651 -0.412 -2.476 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.473 -0.858 -1.033 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.653 0.728 -2.571 1.00 0.00 C ATOM 0 H VAL A 29 -11.808 -1.059 -4.817 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.167 1.080 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.040 -1.256 -3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.439 -1.149 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.791 -1.708 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.061 -0.037 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.602 0.415 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.273 1.593 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.803 0.994 -3.617 1.00 0.00 H new ATOM 418 N ILE A 30 -9.548 -0.052 -1.408 1.00 0.00 N ATOM 419 CA ILE A 30 -8.459 -0.644 -0.640 1.00 0.00 C ATOM 420 C ILE A 30 -8.929 -1.057 0.750 1.00 0.00 C ATOM 421 O ILE A 30 -8.850 -0.279 1.700 1.00 0.00 O ATOM 422 CB ILE A 30 -7.274 0.330 -0.501 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.745 0.724 -1.882 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.169 -0.297 0.337 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.097 2.091 -1.913 1.00 0.00 C ATOM 0 H ILE A 30 -9.773 0.909 -1.150 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.130 -1.527 -1.187 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.620 1.231 0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.020 -0.021 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.568 0.704 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.338 0.403 0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.554 -0.532 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.822 -1.212 -0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.745 2.304 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.825 2.846 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.253 2.109 -1.223 1.00 0.00 H new ATOM 437 N ASN A 31 -9.417 -2.288 0.863 1.00 0.00 N ATOM 438 CA ASN A 31 -9.899 -2.806 2.138 1.00 0.00 C ATOM 439 C ASN A 31 -8.816 -2.709 3.208 1.00 0.00 C ATOM 440 O ASN A 31 -7.623 -2.766 2.908 1.00 0.00 O ATOM 441 CB ASN A 31 -10.351 -4.259 1.984 1.00 0.00 C ATOM 442 CG ASN A 31 -11.365 -4.434 0.870 1.00 0.00 C ATOM 443 OD1 ASN A 31 -11.097 -5.100 -0.130 1.00 0.00 O ATOM 444 ND2 ASN A 31 -12.538 -3.834 1.039 1.00 0.00 N ATOM 0 H ASN A 31 -9.489 -2.946 0.087 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.749 -2.200 2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.483 -4.887 1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.784 -4.603 2.923 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.260 -3.915 0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.716 -3.292 1.884 1.00 0.00 H new ATOM 451 N LYS A 32 -9.239 -2.564 4.459 1.00 0.00 N ATOM 452 CA LYS A 32 -8.307 -2.462 5.576 1.00 0.00 C ATOM 453 C LYS A 32 -7.504 -3.749 5.734 1.00 0.00 C ATOM 454 O LYS A 32 -7.868 -4.789 5.186 1.00 0.00 O ATOM 455 CB LYS A 32 -9.063 -2.157 6.871 1.00 0.00 C ATOM 456 CG LYS A 32 -9.677 -3.385 7.520 1.00 0.00 C ATOM 457 CD LYS A 32 -11.048 -3.081 8.101 1.00 0.00 C ATOM 458 CE LYS A 32 -10.968 -2.771 9.588 1.00 0.00 C ATOM 459 NZ LYS A 32 -12.245 -2.209 10.107 1.00 0.00 N ATOM 0 H LYS A 32 -10.222 -2.514 4.725 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.615 -1.647 5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.380 -1.686 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.852 -1.435 6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.762 -4.183 6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.019 -3.748 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.487 -2.233 7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.709 -3.933 7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.722 -3.681 10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.160 -2.062 9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.150 -2.011 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.467 -1.327 9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.012 -2.895 9.958 1.00 0.00 H new ATOM 473 N GLU A 33 -6.412 -3.671 6.489 1.00 0.00 N ATOM 474 CA GLU A 33 -5.559 -4.831 6.719 1.00 0.00 C ATOM 475 C GLU A 33 -4.814 -5.220 5.445 1.00 0.00 C ATOM 476 O GLU A 33 -4.447 -6.379 5.257 1.00 0.00 O ATOM 477 CB GLU A 33 -6.393 -6.014 7.216 1.00 0.00 C ATOM 478 CG GLU A 33 -7.486 -5.620 8.194 1.00 0.00 C ATOM 479 CD GLU A 33 -7.734 -6.680 9.250 1.00 0.00 C ATOM 480 OE1 GLU A 33 -6.747 -7.196 9.815 1.00 0.00 O ATOM 481 OE2 GLU A 33 -8.915 -6.993 9.511 1.00 0.00 O ATOM 0 H GLU A 33 -6.098 -2.818 6.951 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.826 -4.566 7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.846 -6.513 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.733 -6.738 7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.212 -4.684 8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.410 -5.436 7.646 1.00 0.00 H new ATOM 488 N ASN A 34 -4.594 -4.241 4.573 1.00 0.00 N ATOM 489 CA ASN A 34 -3.894 -4.479 3.316 1.00 0.00 C ATOM 490 C ASN A 34 -2.712 -3.527 3.163 1.00 0.00 C ATOM 491 O ASN A 34 -2.750 -2.391 3.636 1.00 0.00 O ATOM 492 CB ASN A 34 -4.852 -4.315 2.135 1.00 0.00 C ATOM 493 CG ASN A 34 -5.566 -5.606 1.785 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.930 -6.624 1.507 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.893 -5.571 1.796 1.00 0.00 N ATOM 0 H ASN A 34 -4.891 -3.275 4.714 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.515 -5.501 3.328 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.589 -3.548 2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.296 -3.964 1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.427 -6.410 1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.378 -4.706 2.032 1.00 0.00 H new ATOM 502 N PHE A 35 -1.662 -3.998 2.499 1.00 0.00 N ATOM 503 CA PHE A 35 -0.468 -3.190 2.283 1.00 0.00 C ATOM 504 C PHE A 35 -0.642 -2.274 1.075 1.00 0.00 C ATOM 505 O PHE A 35 -0.796 -2.741 -0.054 1.00 0.00 O ATOM 506 CB PHE A 35 0.754 -4.089 2.084 1.00 0.00 C ATOM 507 CG PHE A 35 1.906 -3.396 1.414 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.111 -2.037 1.590 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.784 -4.103 0.608 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.170 -1.395 0.975 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.845 -3.467 -0.009 1.00 0.00 C ATOM 512 CZ PHE A 35 4.037 -2.112 0.174 1.00 0.00 C ATOM 0 H PHE A 35 -1.614 -4.936 2.101 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.314 -2.571 3.167 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.081 -4.464 3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.465 -4.955 1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.435 -1.472 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.638 -5.163 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.319 -0.335 1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.523 -4.029 -0.634 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.864 -1.613 -0.309 1.00 0.00 H new ATOM 522 N ARG A 36 -0.617 -0.968 1.321 1.00 0.00 N ATOM 523 CA ARG A 36 -0.774 0.013 0.255 1.00 0.00 C ATOM 524 C ARG A 36 0.384 1.008 0.256 1.00 0.00 C ATOM 525 O ARG A 36 1.252 0.964 1.129 1.00 0.00 O ATOM 526 CB ARG A 36 -2.101 0.759 0.410 1.00 0.00 C ATOM 527 CG ARG A 36 -2.265 1.435 1.761 1.00 0.00 C ATOM 528 CD ARG A 36 -3.518 2.296 1.805 1.00 0.00 C ATOM 529 NE ARG A 36 -3.564 3.136 2.999 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.678 3.688 3.467 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.832 3.490 2.845 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.639 4.440 4.559 1.00 0.00 N ATOM 0 H ARG A 36 -0.489 -0.565 2.249 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.773 -0.519 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.179 1.511 -0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.922 0.057 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.315 0.678 2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.391 2.052 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.556 2.927 0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.399 1.655 1.779 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.693 3.308 3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.866 2.913 2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.686 3.915 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.753 4.595 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.495 4.863 4.917 1.00 0.00 H new ATOM 546 N LEU A 37 0.390 1.902 -0.726 1.00 0.00 N ATOM 547 CA LEU A 37 1.441 2.907 -0.838 1.00 0.00 C ATOM 548 C LEU A 37 0.846 4.297 -1.045 1.00 0.00 C ATOM 549 O LEU A 37 -0.068 4.478 -1.849 1.00 0.00 O ATOM 550 CB LEU A 37 2.379 2.565 -1.997 1.00 0.00 C ATOM 551 CG LEU A 37 3.351 1.410 -1.753 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.195 1.152 -2.992 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.239 1.703 -0.553 1.00 0.00 C ATOM 0 H LEU A 37 -0.321 1.952 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 37 2.008 2.909 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.773 2.325 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.958 3.455 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 37 2.771 0.512 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.881 0.327 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.545 0.896 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.765 2.048 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.924 0.870 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.811 2.613 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.620 1.837 0.334 1.00 0.00 H new ATOM 565 N GLY A 38 1.372 5.275 -0.315 1.00 0.00 N ATOM 566 CA GLY A 38 0.882 6.636 -0.435 1.00 0.00 C ATOM 567 C GLY A 38 1.961 7.604 -0.877 1.00 0.00 C ATOM 568 O GLY A 38 2.879 7.913 -0.117 1.00 0.00 O ATOM 0 H GLY A 38 2.129 5.150 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.060 6.661 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.479 6.960 0.525 1.00 0.00 H new ATOM 572 N LYS A 39 1.853 8.084 -2.111 1.00 0.00 N ATOM 573 CA LYS A 39 2.827 9.023 -2.655 1.00 0.00 C ATOM 574 C LYS A 39 2.582 10.431 -2.123 1.00 0.00 C ATOM 575 O LYS A 39 1.716 11.152 -2.621 1.00 0.00 O ATOM 576 CB LYS A 39 2.765 9.026 -4.184 1.00 0.00 C ATOM 577 CG LYS A 39 3.856 9.857 -4.836 1.00 0.00 C ATOM 578 CD LYS A 39 4.075 9.453 -6.284 1.00 0.00 C ATOM 579 CE LYS A 39 5.499 9.742 -6.734 1.00 0.00 C ATOM 580 NZ LYS A 39 5.570 10.046 -8.191 1.00 0.00 N ATOM 0 H LYS A 39 1.100 7.838 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 39 3.819 8.702 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.838 8.000 -4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.793 9.406 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.588 10.912 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.786 9.739 -4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.864 8.390 -6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.374 9.991 -6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.895 10.585 -6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.132 8.883 -6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.557 10.237 -8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.216 9.232 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.987 10.881 -8.400 1.00 0.00 H new ATOM 594 N LEU A 40 3.350 10.818 -1.110 1.00 0.00 N ATOM 595 CA LEU A 40 3.216 12.142 -0.511 1.00 0.00 C ATOM 596 C LEU A 40 3.659 13.228 -1.487 1.00 0.00 C ATOM 597 O LEU A 40 4.848 13.372 -1.774 1.00 0.00 O ATOM 598 CB LEU A 40 4.042 12.227 0.774 1.00 0.00 C ATOM 599 CG LEU A 40 3.742 11.168 1.835 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.738 11.264 2.981 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.318 11.317 2.350 1.00 0.00 C ATOM 0 H LEU A 40 4.071 10.234 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 40 2.165 12.302 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.097 12.159 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.888 13.211 1.217 1.00 0.00 H new ATOM 0 HG LEU A 40 3.840 10.184 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.509 10.503 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.747 11.107 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.672 12.251 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.122 10.555 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.192 12.306 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.618 11.197 1.523 1.00 0.00 H new ATOM 613 N VAL A 41 2.695 13.991 -1.992 1.00 0.00 N ATOM 614 CA VAL A 41 2.986 15.067 -2.932 1.00 0.00 C ATOM 615 C VAL A 41 2.723 16.431 -2.305 1.00 0.00 C ATOM 616 O VAL A 41 1.702 16.637 -1.649 1.00 0.00 O ATOM 617 CB VAL A 41 2.144 14.933 -4.215 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.479 13.640 -4.942 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.660 15.001 -3.888 1.00 0.00 C ATOM 0 H VAL A 41 1.706 13.884 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 41 4.042 14.986 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 41 2.386 15.766 -4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.874 13.563 -5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.535 13.637 -5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.268 12.791 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.080 14.905 -4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.400 14.190 -3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.435 15.957 -3.415 1.00 0.00 H new ATOM 777 N MET A 52 -1.409 9.926 -2.327 1.00 0.00 N ATOM 778 CA MET A 52 -2.023 9.075 -3.340 1.00 0.00 C ATOM 779 C MET A 52 -2.081 7.625 -2.871 1.00 0.00 C ATOM 780 O MET A 52 -1.106 6.884 -2.995 1.00 0.00 O ATOM 781 CB MET A 52 -1.245 9.168 -4.654 1.00 0.00 C ATOM 782 CG MET A 52 -1.167 10.578 -5.216 1.00 0.00 C ATOM 783 SD MET A 52 -0.837 10.602 -6.988 1.00 0.00 S ATOM 784 CE MET A 52 -2.351 11.333 -7.605 1.00 0.00 C ATOM 0 HA MET A 52 -3.042 9.425 -3.504 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.234 8.793 -4.495 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.715 8.517 -5.392 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.105 11.096 -5.018 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.383 11.129 -4.697 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.300 11.415 -8.691 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.198 10.705 -7.328 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.479 12.325 -7.172 1.00 0.00 H new ATOM 794 N TRP A 53 -3.227 7.227 -2.331 1.00 0.00 N ATOM 795 CA TRP A 53 -3.410 5.865 -1.843 1.00 0.00 C ATOM 796 C TRP A 53 -3.559 4.887 -3.003 1.00 0.00 C ATOM 797 O TRP A 53 -4.584 4.868 -3.683 1.00 0.00 O ATOM 798 CB TRP A 53 -4.638 5.788 -0.934 1.00 0.00 C ATOM 799 CG TRP A 53 -4.430 6.437 0.401 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.204 7.409 0.969 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.379 6.162 1.333 1.00 0.00 C ATOM 802 NE1 TRP A 53 -4.696 7.754 2.199 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.578 7.003 2.446 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.291 5.285 1.338 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -2.728 6.992 3.548 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.448 5.276 2.433 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.670 6.124 3.526 1.00 0.00 C ATOM 0 H TRP A 53 -4.044 7.828 -2.220 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.525 5.588 -1.270 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.482 6.264 -1.434 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.905 4.742 -0.784 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.085 7.842 0.518 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.089 8.456 2.826 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.112 4.626 0.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.897 7.646 4.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.603 4.603 2.446 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.993 6.092 4.367 1.00 0.00 H new ATOM 818 N ASN A 54 -2.529 4.075 -3.222 1.00 0.00 N ATOM 819 CA ASN A 54 -2.546 3.094 -4.301 1.00 0.00 C ATOM 820 C ASN A 54 -2.012 1.748 -3.820 1.00 0.00 C ATOM 821 O ASN A 54 -1.053 1.721 -3.050 1.00 0.00 O ATOM 822 CB ASN A 54 -1.715 3.591 -5.484 1.00 0.00 C ATOM 823 CG ASN A 54 -2.139 4.972 -5.949 1.00 0.00 C ATOM 824 OD1 ASN A 54 -3.284 5.179 -6.350 1.00 0.00 O ATOM 825 ND2 ASN A 54 -1.214 5.923 -5.896 1.00 0.00 N ATOM 0 H ASN A 54 -1.673 4.077 -2.667 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.579 2.962 -4.622 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.662 3.613 -5.201 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.808 2.887 -6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.440 6.872 -6.195 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.277 5.705 -5.556 1.00 0.00 H new ATOM 832 N HIS A 55 -2.637 0.673 -4.279 1.00 0.00 N ATOM 833 CA HIS A 55 -2.215 -0.661 -3.889 1.00 0.00 C ATOM 834 C HIS A 55 -0.711 -0.813 -4.125 1.00 0.00 C ATOM 835 O HIS A 55 -0.162 -0.381 -5.138 1.00 0.00 O ATOM 836 CB HIS A 55 -3.039 -1.726 -4.616 1.00 0.00 C ATOM 837 CG HIS A 55 -4.523 -1.642 -4.348 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.419 -1.099 -5.253 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.258 -2.040 -3.270 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.634 -1.170 -4.731 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.533 -1.753 -3.502 1.00 0.00 N ATOM 0 H HIS A 55 -3.432 0.699 -4.917 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.398 -0.807 -2.824 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.868 -1.634 -5.689 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.682 -2.712 -4.320 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.183 -0.710 -6.166 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.868 -2.509 -2.379 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.546 -0.826 -5.197 1.00 0.00 H new ATOM 849 N ALA A 56 -0.052 -1.443 -3.158 1.00 0.00 N ATOM 850 CA ALA A 56 1.386 -1.668 -3.235 1.00 0.00 C ATOM 851 C ALA A 56 1.759 -2.403 -4.518 1.00 0.00 C ATOM 852 O ALA A 56 2.887 -2.300 -4.998 1.00 0.00 O ATOM 853 CB ALA A 56 1.864 -2.449 -2.019 1.00 0.00 C ATOM 0 H ALA A 56 -0.491 -1.807 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 56 1.880 -0.697 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.940 -2.610 -2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.640 -1.885 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.355 -3.412 -1.982 1.00 0.00 H new ATOM 859 N SER A 57 0.804 -3.146 -5.067 1.00 0.00 N ATOM 860 CA SER A 57 1.033 -3.903 -6.292 1.00 0.00 C ATOM 861 C SER A 57 0.726 -3.052 -7.521 1.00 0.00 C ATOM 862 O SER A 57 1.216 -3.325 -8.618 1.00 0.00 O ATOM 863 CB SER A 57 0.172 -5.167 -6.305 1.00 0.00 C ATOM 864 OG SER A 57 0.299 -5.858 -7.536 1.00 0.00 O ATOM 0 H SER A 57 -0.136 -3.240 -4.683 1.00 0.00 H new ATOM 0 HA SER A 57 2.084 -4.189 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.468 -5.821 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.872 -4.901 -6.140 1.00 0.00 H new ATOM 0 HG SER A 57 -0.260 -6.663 -7.519 1.00 0.00 H new ATOM 870 N CYS A 58 -0.089 -2.020 -7.330 1.00 0.00 N ATOM 871 CA CYS A 58 -0.463 -1.128 -8.421 1.00 0.00 C ATOM 872 C CYS A 58 0.652 -0.129 -8.714 1.00 0.00 C ATOM 873 O CYS A 58 0.763 0.384 -9.828 1.00 0.00 O ATOM 874 CB CYS A 58 -1.754 -0.383 -8.078 1.00 0.00 C ATOM 875 SG CYS A 58 -3.262 -1.391 -8.245 1.00 0.00 S ATOM 0 H CYS A 58 -0.503 -1.781 -6.429 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.627 -1.734 -9.312 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.687 -0.015 -7.054 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.840 0.490 -8.725 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.490 -1.625 -9.503 1.00 0.00 H new ATOM 880 N ILE A 59 1.476 0.141 -7.707 1.00 0.00 N ATOM 881 CA ILE A 59 2.583 1.078 -7.857 1.00 0.00 C ATOM 882 C ILE A 59 3.846 0.365 -8.329 1.00 0.00 C ATOM 883 O ILE A 59 4.482 0.780 -9.299 1.00 0.00 O ATOM 884 CB ILE A 59 2.884 1.810 -6.536 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.666 2.620 -6.088 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.098 2.713 -6.696 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.454 3.885 -6.890 1.00 0.00 C ATOM 0 H ILE A 59 1.398 -0.275 -6.779 1.00 0.00 H new ATOM 0 HA ILE A 59 2.279 1.809 -8.607 1.00 0.00 H new ATOM 0 HB ILE A 59 3.106 1.068 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.776 1.996 -6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.780 2.881 -5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.298 3.224 -5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.964 2.112 -6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.903 3.451 -7.474 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.573 4.409 -6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.328 4.529 -6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.308 3.630 -7.940 1.00 0.00 H new ATOM 899 N LEU A 60 4.204 -0.712 -7.638 1.00 0.00 N ATOM 900 CA LEU A 60 5.390 -1.486 -7.987 1.00 0.00 C ATOM 901 C LEU A 60 5.382 -1.859 -9.466 1.00 0.00 C ATOM 902 O LEU A 60 6.431 -1.924 -10.108 1.00 0.00 O ATOM 903 CB LEU A 60 5.469 -2.751 -7.131 1.00 0.00 C ATOM 904 CG LEU A 60 5.735 -2.537 -5.640 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.563 -3.840 -4.875 1.00 0.00 C ATOM 906 CD2 LEU A 60 7.130 -1.969 -5.424 1.00 0.00 C ATOM 0 H LEU A 60 3.690 -1.069 -6.833 1.00 0.00 H new ATOM 0 HA LEU A 60 6.266 -0.868 -7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.532 -3.297 -7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.257 -3.389 -7.532 1.00 0.00 H new ATOM 0 HG LEU A 60 5.009 -1.818 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.756 -3.668 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.544 -4.206 -5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.265 -4.581 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.302 -1.823 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.871 -2.664 -5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.217 -1.013 -5.940 1.00 0.00 H new ATOM 918 N LYS A 61 4.191 -2.101 -10.003 1.00 0.00 N ATOM 919 CA LYS A 61 4.043 -2.464 -11.407 1.00 0.00 C ATOM 920 C LYS A 61 4.451 -1.308 -12.314 1.00 0.00 C ATOM 921 O LYS A 61 4.877 -1.516 -13.450 1.00 0.00 O ATOM 922 CB LYS A 61 2.598 -2.872 -11.701 1.00 0.00 C ATOM 923 CG LYS A 61 1.629 -1.703 -11.723 1.00 0.00 C ATOM 924 CD LYS A 61 0.483 -1.947 -12.691 1.00 0.00 C ATOM 925 CE LYS A 61 -0.747 -1.136 -12.314 1.00 0.00 C ATOM 926 NZ LYS A 61 -1.969 -1.623 -13.013 1.00 0.00 N ATOM 0 H LYS A 61 3.313 -2.052 -9.486 1.00 0.00 H new ATOM 0 HA LYS A 61 4.700 -3.310 -11.608 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.562 -3.381 -12.664 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.272 -3.590 -10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.232 -1.540 -10.721 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.160 -0.794 -12.008 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.797 -1.685 -13.702 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.232 -3.008 -12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.900 -1.189 -11.236 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.581 -0.088 -12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.785 -1.044 -12.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.833 -1.549 -14.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.143 -2.616 -12.757 1.00 0.00 H new ATOM 940 N LYS A 62 4.318 -0.088 -11.804 1.00 0.00 N ATOM 941 CA LYS A 62 4.674 1.103 -12.566 1.00 0.00 C ATOM 942 C LYS A 62 6.188 1.284 -12.617 1.00 0.00 C ATOM 943 O LYS A 62 6.942 0.443 -12.125 1.00 0.00 O ATOM 944 CB LYS A 62 4.023 2.343 -11.949 1.00 0.00 C ATOM 945 CG LYS A 62 2.577 2.544 -12.370 1.00 0.00 C ATOM 946 CD LYS A 62 2.125 3.977 -12.145 1.00 0.00 C ATOM 947 CE LYS A 62 0.636 4.051 -11.845 1.00 0.00 C ATOM 948 NZ LYS A 62 -0.187 3.834 -13.067 1.00 0.00 N ATOM 0 H LYS A 62 3.966 0.102 -10.866 1.00 0.00 H new ATOM 0 HA LYS A 62 4.306 0.975 -13.584 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.069 2.265 -10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.600 3.224 -12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.465 2.287 -13.423 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.935 1.866 -11.807 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.686 4.411 -11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.349 4.573 -13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.379 3.302 -11.096 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.400 5.025 -11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.196 3.892 -12.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.040 4.564 -13.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.019 2.894 -13.462 1.00 0.00 H new ATOM 962 N THR A 63 6.629 2.387 -13.215 1.00 0.00 N ATOM 963 CA THR A 63 8.052 2.677 -13.330 1.00 0.00 C ATOM 964 C THR A 63 8.377 4.060 -12.776 1.00 0.00 C ATOM 965 O THR A 63 7.497 4.911 -12.644 1.00 0.00 O ATOM 966 CB THR A 63 8.525 2.599 -14.793 1.00 0.00 C ATOM 967 OG1 THR A 63 7.971 1.439 -15.425 1.00 0.00 O ATOM 968 CG2 THR A 63 10.044 2.547 -14.869 1.00 0.00 C ATOM 0 H THR A 63 6.020 3.094 -13.627 1.00 0.00 H new ATOM 0 HA THR A 63 8.577 1.921 -12.746 1.00 0.00 H new ATOM 0 HB THR A 63 8.182 3.494 -15.311 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.275 1.397 -16.356 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.354 2.492 -15.912 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.462 3.444 -14.413 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.405 1.667 -14.336 1.00 0.00 H new ATOM 976 N LYS A 64 9.647 4.279 -12.454 1.00 0.00 N ATOM 977 CA LYS A 64 10.091 5.560 -11.916 1.00 0.00 C ATOM 978 C LYS A 64 9.171 6.026 -10.791 1.00 0.00 C ATOM 979 O LYS A 64 8.841 7.208 -10.697 1.00 0.00 O ATOM 980 CB LYS A 64 10.133 6.615 -13.024 1.00 0.00 C ATOM 981 CG LYS A 64 11.090 6.273 -14.153 1.00 0.00 C ATOM 982 CD LYS A 64 11.641 7.525 -14.815 1.00 0.00 C ATOM 983 CE LYS A 64 12.116 7.243 -16.232 1.00 0.00 C ATOM 984 NZ LYS A 64 13.350 6.409 -16.247 1.00 0.00 N ATOM 0 H LYS A 64 10.388 3.586 -12.556 1.00 0.00 H new ATOM 0 HA LYS A 64 11.094 5.427 -11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.131 6.740 -13.434 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.422 7.573 -12.591 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.913 5.673 -13.764 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.575 5.664 -14.896 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.871 8.296 -14.835 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.469 7.916 -14.224 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.327 6.734 -16.785 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.308 8.185 -16.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.642 6.239 -17.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.111 6.906 -15.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.160 5.499 -15.780 1.00 0.00 H new ATOM 998 N GLN A 65 8.762 5.089 -9.941 1.00 0.00 N ATOM 999 CA GLN A 65 7.882 5.405 -8.823 1.00 0.00 C ATOM 1000 C GLN A 65 8.680 5.594 -7.538 1.00 0.00 C ATOM 1001 O GLN A 65 8.608 6.645 -6.900 1.00 0.00 O ATOM 1002 CB GLN A 65 6.844 4.297 -8.635 1.00 0.00 C ATOM 1003 CG GLN A 65 6.012 4.025 -9.877 1.00 0.00 C ATOM 1004 CD GLN A 65 5.194 5.228 -10.306 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.602 5.918 -9.476 1.00 0.00 O ATOM 1006 NE2 GLN A 65 5.157 5.485 -11.608 1.00 0.00 N ATOM 0 H GLN A 65 9.026 4.106 -10.006 1.00 0.00 H new ATOM 0 HA GLN A 65 7.369 6.339 -9.050 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.354 3.379 -8.341 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.179 4.569 -7.815 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.671 3.728 -10.693 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.344 3.185 -9.685 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.663 4.886 -12.261 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.623 6.281 -11.956 1.00 0.00 H new ATOM 1015 N ILE A 66 9.440 4.571 -7.163 1.00 0.00 N ATOM 1016 CA ILE A 66 10.253 4.626 -5.954 1.00 0.00 C ATOM 1017 C ILE A 66 11.739 4.540 -6.286 1.00 0.00 C ATOM 1018 O ILE A 66 12.139 3.838 -7.215 1.00 0.00 O ATOM 1019 CB ILE A 66 9.889 3.490 -4.980 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.418 3.590 -4.571 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.790 3.535 -3.754 1.00 0.00 C ATOM 1022 CD1 ILE A 66 7.936 2.411 -3.756 1.00 0.00 C ATOM 0 H ILE A 66 9.510 3.694 -7.679 1.00 0.00 H new ATOM 0 HA ILE A 66 10.045 5.584 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 66 10.042 2.536 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.271 4.504 -3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.805 3.676 -5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.521 2.726 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.829 3.420 -4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.666 4.492 -3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.885 2.550 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.051 1.496 -4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.524 2.336 -2.841 1.00 0.00 H new ATOM 1034 N LYS A 67 12.553 5.257 -5.519 1.00 0.00 N ATOM 1035 CA LYS A 67 13.996 5.260 -5.728 1.00 0.00 C ATOM 1036 C LYS A 67 14.669 4.173 -4.897 1.00 0.00 C ATOM 1037 O LYS A 67 15.495 3.413 -5.403 1.00 0.00 O ATOM 1038 CB LYS A 67 14.581 6.628 -5.368 1.00 0.00 C ATOM 1039 CG LYS A 67 16.038 6.790 -5.765 1.00 0.00 C ATOM 1040 CD LYS A 67 16.754 7.782 -4.864 1.00 0.00 C ATOM 1041 CE LYS A 67 16.389 9.217 -5.214 1.00 0.00 C ATOM 1042 NZ LYS A 67 16.998 10.191 -4.267 1.00 0.00 N ATOM 0 H LYS A 67 12.238 5.844 -4.747 1.00 0.00 H new ATOM 0 HA LYS A 67 14.186 5.056 -6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.992 7.405 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.487 6.783 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.539 5.824 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.099 7.127 -6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.495 7.583 -3.824 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.832 7.647 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.722 9.439 -6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.305 9.329 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.726 11.157 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.661 9.995 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.034 10.102 -4.296 1.00 0.00 H new ATOM 1056 N SER A 68 14.309 4.103 -3.619 1.00 0.00 N ATOM 1057 CA SER A 68 14.880 3.110 -2.717 1.00 0.00 C ATOM 1058 C SER A 68 13.994 2.916 -1.491 1.00 0.00 C ATOM 1059 O SER A 68 13.294 3.835 -1.065 1.00 0.00 O ATOM 1060 CB SER A 68 16.285 3.532 -2.283 1.00 0.00 C ATOM 1061 OG SER A 68 16.857 2.576 -1.407 1.00 0.00 O ATOM 0 H SER A 68 13.624 4.722 -3.185 1.00 0.00 H new ATOM 0 HA SER A 68 14.942 2.163 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.920 3.651 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.240 4.502 -1.788 1.00 0.00 H new ATOM 0 HG SER A 68 17.755 2.868 -1.146 1.00 0.00 H new ATOM 1067 N VAL A 69 14.028 1.713 -0.927 1.00 0.00 N ATOM 1068 CA VAL A 69 13.230 1.397 0.251 1.00 0.00 C ATOM 1069 C VAL A 69 13.377 2.474 1.320 1.00 0.00 C ATOM 1070 O VAL A 69 12.447 2.738 2.082 1.00 0.00 O ATOM 1071 CB VAL A 69 13.628 0.035 0.851 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.078 -1.103 0.005 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.141 -0.068 0.979 1.00 0.00 C ATOM 0 H VAL A 69 14.600 0.941 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 69 12.191 1.352 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 69 13.195 -0.044 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.369 -2.057 0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.991 -1.037 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.479 -1.032 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.405 -1.036 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.597 0.032 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.506 0.726 1.630 1.00 0.00 H new ATOM 1083 N ASP A 70 14.552 3.092 1.370 1.00 0.00 N ATOM 1084 CA ASP A 70 14.822 4.143 2.345 1.00 0.00 C ATOM 1085 C ASP A 70 13.840 5.299 2.184 1.00 0.00 C ATOM 1086 O ASP A 70 13.455 5.940 3.162 1.00 0.00 O ATOM 1087 CB ASP A 70 16.257 4.651 2.195 1.00 0.00 C ATOM 1088 CG ASP A 70 16.522 5.891 3.026 1.00 0.00 C ATOM 1089 OD1 ASP A 70 16.500 5.787 4.270 1.00 0.00 O ATOM 1090 OD2 ASP A 70 16.749 6.966 2.432 1.00 0.00 O ATOM 0 H ASP A 70 15.332 2.884 0.747 1.00 0.00 H new ATOM 0 HA ASP A 70 14.697 3.720 3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.951 3.864 2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.453 4.871 1.146 1.00 0.00 H new ATOM 1095 N ASP A 71 13.440 5.560 0.945 1.00 0.00 N ATOM 1096 CA ASP A 71 12.503 6.639 0.655 1.00 0.00 C ATOM 1097 C ASP A 71 11.097 6.280 1.127 1.00 0.00 C ATOM 1098 O ASP A 71 10.262 7.157 1.349 1.00 0.00 O ATOM 1099 CB ASP A 71 12.489 6.943 -0.844 1.00 0.00 C ATOM 1100 CG ASP A 71 13.690 7.760 -1.280 1.00 0.00 C ATOM 1101 OD1 ASP A 71 14.793 7.183 -1.387 1.00 0.00 O ATOM 1102 OD2 ASP A 71 13.527 8.975 -1.515 1.00 0.00 O ATOM 0 H ASP A 71 13.750 5.039 0.125 1.00 0.00 H new ATOM 0 HA ASP A 71 12.832 7.527 1.195 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.468 6.007 -1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.576 7.483 -1.094 1.00 0.00 H new ATOM 1107 N VAL A 72 10.842 4.984 1.277 1.00 0.00 N ATOM 1108 CA VAL A 72 9.538 4.508 1.721 1.00 0.00 C ATOM 1109 C VAL A 72 9.437 4.524 3.243 1.00 0.00 C ATOM 1110 O VAL A 72 10.209 3.859 3.932 1.00 0.00 O ATOM 1111 CB VAL A 72 9.259 3.081 1.214 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.826 2.675 1.524 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.539 2.981 -0.278 1.00 0.00 C ATOM 0 H VAL A 72 11.522 4.245 1.097 1.00 0.00 H new ATOM 0 HA VAL A 72 8.794 5.186 1.303 1.00 0.00 H new ATOM 0 HB VAL A 72 9.927 2.393 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.647 1.664 1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.664 2.705 2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.138 3.365 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.336 1.966 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.898 3.679 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.584 3.226 -0.469 1.00 0.00 H new ATOM 1123 N GLU A 73 8.479 5.287 3.759 1.00 0.00 N ATOM 1124 CA GLU A 73 8.277 5.389 5.199 1.00 0.00 C ATOM 1125 C GLU A 73 7.419 4.235 5.712 1.00 0.00 C ATOM 1126 O GLU A 73 6.718 3.580 4.943 1.00 0.00 O ATOM 1127 CB GLU A 73 7.618 6.724 5.551 1.00 0.00 C ATOM 1128 CG GLU A 73 7.533 6.986 7.045 1.00 0.00 C ATOM 1129 CD GLU A 73 6.283 6.397 7.671 1.00 0.00 C ATOM 1130 OE1 GLU A 73 5.207 6.492 7.045 1.00 0.00 O ATOM 1131 OE2 GLU A 73 6.382 5.842 8.785 1.00 0.00 O ATOM 0 H GLU A 73 7.831 5.843 3.201 1.00 0.00 H new ATOM 0 HA GLU A 73 9.253 5.335 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.179 7.532 5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.613 6.746 5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.412 6.566 7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.552 8.061 7.223 1.00 0.00 H new ATOM 1138 N GLY A 74 7.483 3.993 7.018 1.00 0.00 N ATOM 1139 CA GLY A 74 6.709 2.919 7.611 1.00 0.00 C ATOM 1140 C GLY A 74 6.856 1.613 6.857 1.00 0.00 C ATOM 1141 O GLY A 74 5.976 0.753 6.913 1.00 0.00 O ATOM 0 H GLY A 74 8.057 4.521 7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.025 2.776 8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.657 3.204 7.636 1.00 0.00 H new ATOM 1145 N ILE A 75 7.970 1.463 6.148 1.00 0.00 N ATOM 1146 CA ILE A 75 8.228 0.253 5.378 1.00 0.00 C ATOM 1147 C ILE A 75 8.671 -0.891 6.285 1.00 0.00 C ATOM 1148 O ILE A 75 8.554 -2.062 5.925 1.00 0.00 O ATOM 1149 CB ILE A 75 9.307 0.488 4.304 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.318 -0.667 3.300 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.674 0.647 4.952 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.145 -0.386 2.065 1.00 0.00 C ATOM 0 H ILE A 75 8.708 2.165 6.091 1.00 0.00 H new ATOM 0 HA ILE A 75 7.292 -0.015 4.888 1.00 0.00 H new ATOM 0 HB ILE A 75 9.072 1.408 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.704 -1.560 3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.293 -0.886 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.426 0.812 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.658 1.499 5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.920 -0.257 5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.107 -1.247 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.746 0.489 1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.179 -0.196 2.355 1.00 0.00 H new ATOM 1164 N GLU A 76 9.178 -0.542 7.463 1.00 0.00 N ATOM 1165 CA GLU A 76 9.637 -1.541 8.422 1.00 0.00 C ATOM 1166 C GLU A 76 8.456 -2.212 9.116 1.00 0.00 C ATOM 1167 O GLU A 76 8.584 -3.306 9.664 1.00 0.00 O ATOM 1168 CB GLU A 76 10.556 -0.896 9.462 1.00 0.00 C ATOM 1169 CG GLU A 76 9.875 0.178 10.293 1.00 0.00 C ATOM 1170 CD GLU A 76 10.452 0.289 11.691 1.00 0.00 C ATOM 1171 OE1 GLU A 76 11.593 0.777 11.825 1.00 0.00 O ATOM 1172 OE2 GLU A 76 9.761 -0.114 12.650 1.00 0.00 O ATOM 0 H GLU A 76 9.281 0.423 7.776 1.00 0.00 H new ATOM 0 HA GLU A 76 10.195 -2.302 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.938 -1.670 10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.416 -0.460 8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.971 1.139 9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.809 -0.041 10.360 1.00 0.00 H new ATOM 1179 N SER A 77 7.305 -1.547 9.089 1.00 0.00 N ATOM 1180 CA SER A 77 6.101 -2.076 9.719 1.00 0.00 C ATOM 1181 C SER A 77 5.395 -3.064 8.797 1.00 0.00 C ATOM 1182 O SER A 77 4.602 -3.893 9.246 1.00 0.00 O ATOM 1183 CB SER A 77 5.150 -0.935 10.088 1.00 0.00 C ATOM 1184 OG SER A 77 4.292 -1.311 11.152 1.00 0.00 O ATOM 0 H SER A 77 7.181 -0.641 8.637 1.00 0.00 H new ATOM 0 HA SER A 77 6.396 -2.601 10.627 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.726 -0.055 10.375 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.555 -0.657 9.218 1.00 0.00 H new ATOM 0 HG SER A 77 3.695 -0.565 11.370 1.00 0.00 H new ATOM 1190 N LEU A 78 5.688 -2.971 7.505 1.00 0.00 N ATOM 1191 CA LEU A 78 5.081 -3.856 6.516 1.00 0.00 C ATOM 1192 C LEU A 78 5.535 -5.297 6.725 1.00 0.00 C ATOM 1193 O LEU A 78 6.561 -5.550 7.358 1.00 0.00 O ATOM 1194 CB LEU A 78 5.440 -3.396 5.102 1.00 0.00 C ATOM 1195 CG LEU A 78 5.193 -1.919 4.794 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.519 -1.615 3.340 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.754 -1.541 5.110 1.00 0.00 C ATOM 0 H LEU A 78 6.342 -2.292 7.117 1.00 0.00 H new ATOM 0 HA LEU A 78 3.999 -3.813 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.494 -3.611 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.871 -3.995 4.391 1.00 0.00 H new ATOM 0 HG LEU A 78 5.851 -1.322 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.337 -0.559 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.566 -1.846 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.887 -2.222 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.597 -0.486 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.078 -2.146 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.554 -1.720 6.167 1.00 0.00 H new ATOM 1209 N ARG A 79 4.767 -6.238 6.187 1.00 0.00 N ATOM 1210 CA ARG A 79 5.090 -7.654 6.314 1.00 0.00 C ATOM 1211 C ARG A 79 6.338 -8.001 5.507 1.00 0.00 C ATOM 1212 O ARG A 79 6.551 -7.471 4.416 1.00 0.00 O ATOM 1213 CB ARG A 79 3.913 -8.512 5.846 1.00 0.00 C ATOM 1214 CG ARG A 79 2.897 -8.798 6.939 1.00 0.00 C ATOM 1215 CD ARG A 79 3.449 -9.767 7.974 1.00 0.00 C ATOM 1216 NE ARG A 79 3.275 -11.159 7.568 1.00 0.00 N ATOM 1217 CZ ARG A 79 3.254 -12.176 8.422 1.00 0.00 C ATOM 1218 NH1 ARG A 79 3.394 -11.957 9.723 1.00 0.00 N ATOM 1219 NH2 ARG A 79 3.092 -13.415 7.977 1.00 0.00 N ATOM 0 H ARG A 79 3.916 -6.046 5.659 1.00 0.00 H new ATOM 0 HA ARG A 79 5.288 -7.863 7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.413 -8.008 5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.294 -9.457 5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.614 -7.865 7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.992 -9.214 6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.509 -9.565 8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.948 -9.602 8.928 1.00 0.00 H new ATOM 0 HE ARG A 79 3.164 -11.361 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.518 -11.006 10.070 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.377 -12.740 10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.983 -13.588 6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.076 -14.195 8.634 1.00 0.00 H new ATOM 1233 N TRP A 80 7.159 -8.892 6.050 1.00 0.00 N ATOM 1234 CA TRP A 80 8.386 -9.309 5.381 1.00 0.00 C ATOM 1235 C TRP A 80 8.178 -9.405 3.873 1.00 0.00 C ATOM 1236 O TRP A 80 8.853 -8.726 3.101 1.00 0.00 O ATOM 1237 CB TRP A 80 8.859 -10.656 5.930 1.00 0.00 C ATOM 1238 CG TRP A 80 9.858 -11.339 5.047 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.120 -10.908 4.750 1.00 0.00 C ATOM 1240 CD2 TRP A 80 9.679 -12.575 4.346 1.00 0.00 C ATOM 1241 NE1 TRP A 80 11.735 -11.801 3.906 1.00 0.00 N ATOM 1242 CE2 TRP A 80 10.873 -12.832 3.644 1.00 0.00 C ATOM 1243 CE3 TRP A 80 8.628 -13.490 4.245 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.041 -13.965 2.852 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 8.796 -14.613 3.458 1.00 0.00 C ATOM 1246 CH2 TRP A 80 9.995 -14.844 2.771 1.00 0.00 C ATOM 0 H TRP A 80 6.997 -9.340 6.952 1.00 0.00 H new ATOM 0 HA TRP A 80 9.150 -8.557 5.577 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.300 -10.504 6.915 1.00 0.00 H new ATOM 0 HB3 TRP A 80 7.996 -11.309 6.064 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.568 -9.999 5.124 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.681 -11.710 3.535 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.701 -13.322 4.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.964 -14.144 2.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.989 -15.325 3.371 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.096 -15.733 2.166 1.00 0.00 H new ATOM 1257 N GLU A 81 7.240 -10.253 3.463 1.00 0.00 N ATOM 1258 CA GLU A 81 6.945 -10.437 2.046 1.00 0.00 C ATOM 1259 C GLU A 81 6.722 -9.094 1.358 1.00 0.00 C ATOM 1260 O GLU A 81 7.142 -8.891 0.219 1.00 0.00 O ATOM 1261 CB GLU A 81 5.711 -11.325 1.871 1.00 0.00 C ATOM 1262 CG GLU A 81 4.398 -10.565 1.961 1.00 0.00 C ATOM 1263 CD GLU A 81 3.198 -11.436 1.646 1.00 0.00 C ATOM 1264 OE1 GLU A 81 2.806 -12.243 2.515 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.650 -11.312 0.530 1.00 0.00 O ATOM 0 H GLU A 81 6.672 -10.823 4.090 1.00 0.00 H new ATOM 0 HA GLU A 81 7.803 -10.924 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.767 -11.824 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.723 -12.104 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.289 -10.152 2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.422 -9.722 1.270 1.00 0.00 H new ATOM 1272 N ASP A 82 6.057 -8.181 2.058 1.00 0.00 N ATOM 1273 CA ASP A 82 5.777 -6.857 1.515 1.00 0.00 C ATOM 1274 C ASP A 82 7.063 -6.050 1.360 1.00 0.00 C ATOM 1275 O ASP A 82 7.357 -5.536 0.281 1.00 0.00 O ATOM 1276 CB ASP A 82 4.797 -6.108 2.420 1.00 0.00 C ATOM 1277 CG ASP A 82 3.487 -6.850 2.593 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.423 -8.038 2.214 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.525 -6.242 3.108 1.00 0.00 O ATOM 0 H ASP A 82 5.702 -8.334 3.002 1.00 0.00 H new ATOM 0 HA ASP A 82 5.327 -6.983 0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.255 -5.953 3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.600 -5.122 2.000 1.00 0.00 H new ATOM 1284 N GLN A 83 7.823 -5.943 2.445 1.00 0.00 N ATOM 1285 CA GLN A 83 9.076 -5.198 2.429 1.00 0.00 C ATOM 1286 C GLN A 83 9.975 -5.668 1.290 1.00 0.00 C ATOM 1287 O GLN A 83 10.753 -4.890 0.740 1.00 0.00 O ATOM 1288 CB GLN A 83 9.804 -5.353 3.765 1.00 0.00 C ATOM 1289 CG GLN A 83 8.990 -4.881 4.959 1.00 0.00 C ATOM 1290 CD GLN A 83 9.851 -4.577 6.169 1.00 0.00 C ATOM 1291 OE1 GLN A 83 10.885 -3.916 6.059 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.429 -5.057 7.333 1.00 0.00 N ATOM 0 H GLN A 83 7.593 -6.363 3.346 1.00 0.00 H new ATOM 0 HA GLN A 83 8.841 -4.145 2.271 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.067 -6.401 3.907 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.738 -4.792 3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.431 -3.987 4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.259 -5.646 5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.567 -5.600 7.378 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.967 -4.883 8.182 1.00 0.00 H new ATOM 1301 N GLN A 84 9.861 -6.946 0.942 1.00 0.00 N ATOM 1302 CA GLN A 84 10.665 -7.519 -0.131 1.00 0.00 C ATOM 1303 C GLN A 84 10.236 -6.967 -1.487 1.00 0.00 C ATOM 1304 O GLN A 84 11.073 -6.640 -2.329 1.00 0.00 O ATOM 1305 CB GLN A 84 10.545 -9.044 -0.128 1.00 0.00 C ATOM 1306 CG GLN A 84 11.037 -9.690 1.158 1.00 0.00 C ATOM 1307 CD GLN A 84 12.511 -10.038 1.110 1.00 0.00 C ATOM 1308 OE1 GLN A 84 12.985 -10.650 0.152 1.00 0.00 O ATOM 1309 NE2 GLN A 84 13.246 -9.648 2.145 1.00 0.00 N ATOM 0 H GLN A 84 9.220 -7.603 1.387 1.00 0.00 H new ATOM 0 HA GLN A 84 11.705 -7.243 0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.502 -9.319 -0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.112 -9.447 -0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.855 -9.013 1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.460 -10.595 1.349 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.812 -9.143 2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.245 -9.853 2.167 1.00 0.00 H new ATOM 1318 N LYS A 85 8.927 -6.867 -1.692 1.00 0.00 N ATOM 1319 CA LYS A 85 8.386 -6.353 -2.945 1.00 0.00 C ATOM 1320 C LYS A 85 8.981 -4.988 -3.276 1.00 0.00 C ATOM 1321 O LYS A 85 9.083 -4.613 -4.444 1.00 0.00 O ATOM 1322 CB LYS A 85 6.861 -6.250 -2.861 1.00 0.00 C ATOM 1323 CG LYS A 85 6.175 -7.580 -2.605 1.00 0.00 C ATOM 1324 CD LYS A 85 4.690 -7.399 -2.335 1.00 0.00 C ATOM 1325 CE LYS A 85 4.161 -8.467 -1.390 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.819 -8.113 -0.849 1.00 0.00 N ATOM 0 H LYS A 85 8.221 -7.135 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 85 8.654 -7.049 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.596 -5.555 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.482 -5.828 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.312 -8.233 -3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.643 -8.074 -1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.515 -6.413 -1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.141 -7.439 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.101 -9.420 -1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.861 -8.602 -0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.868 -8.051 0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.519 -7.196 -1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.131 -8.845 -1.120 1.00 0.00 H new ATOM 1340 N ILE A 86 9.373 -4.252 -2.242 1.00 0.00 N ATOM 1341 CA ILE A 86 9.961 -2.931 -2.425 1.00 0.00 C ATOM 1342 C ILE A 86 11.416 -3.033 -2.868 1.00 0.00 C ATOM 1343 O ILE A 86 11.762 -2.659 -3.989 1.00 0.00 O ATOM 1344 CB ILE A 86 9.887 -2.098 -1.131 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.504 -2.234 -0.490 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.200 -0.638 -1.422 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.417 -1.493 -1.236 1.00 0.00 C ATOM 0 H ILE A 86 9.294 -4.548 -1.269 1.00 0.00 H new ATOM 0 HA ILE A 86 9.382 -2.433 -3.202 1.00 0.00 H new ATOM 0 HB ILE A 86 10.631 -2.476 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.240 -3.290 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.549 -1.863 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.144 -0.063 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.204 -0.557 -1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.477 -0.247 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.464 -1.634 -0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.658 -0.430 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.344 -1.880 -2.252 1.00 0.00 H new ATOM 1359 N ARG A 87 12.265 -3.542 -1.981 1.00 0.00 N ATOM 1360 CA ARG A 87 13.683 -3.694 -2.281 1.00 0.00 C ATOM 1361 C ARG A 87 13.885 -4.468 -3.580 1.00 0.00 C ATOM 1362 O ARG A 87 14.774 -4.154 -4.372 1.00 0.00 O ATOM 1363 CB ARG A 87 14.395 -4.411 -1.132 1.00 0.00 C ATOM 1364 CG ARG A 87 13.671 -5.657 -0.650 1.00 0.00 C ATOM 1365 CD ARG A 87 13.890 -5.889 0.837 1.00 0.00 C ATOM 1366 NE ARG A 87 14.990 -6.815 1.091 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.691 -6.833 2.219 1.00 0.00 C ATOM 1368 NH1 ARG A 87 15.407 -5.979 3.193 1.00 0.00 N ATOM 1369 NH2 ARG A 87 16.678 -7.706 2.375 1.00 0.00 N ATOM 0 H ARG A 87 11.995 -3.856 -1.049 1.00 0.00 H new ATOM 0 HA ARG A 87 14.111 -2.699 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.399 -4.686 -1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.506 -3.720 -0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.604 -5.560 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.023 -6.523 -1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.098 -4.937 1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.975 -6.282 1.281 1.00 0.00 H new ATOM 0 HE ARG A 87 15.234 -7.485 0.362 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.649 -5.307 3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.947 -5.995 4.058 1.00 0.00 H new ATOM 0 HH21 ARG A 87 16.899 -8.364 1.628 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.215 -7.719 3.242 1.00 0.00 H new ATOM 1383 N LYS A 88 13.054 -5.483 -3.793 1.00 0.00 N ATOM 1384 CA LYS A 88 13.138 -6.303 -4.995 1.00 0.00 C ATOM 1385 C LYS A 88 12.612 -5.544 -6.209 1.00 0.00 C ATOM 1386 O LYS A 88 12.529 -6.093 -7.308 1.00 0.00 O ATOM 1387 CB LYS A 88 12.349 -7.601 -4.810 1.00 0.00 C ATOM 1388 CG LYS A 88 12.722 -8.365 -3.552 1.00 0.00 C ATOM 1389 CD LYS A 88 13.830 -9.371 -3.818 1.00 0.00 C ATOM 1390 CE LYS A 88 13.970 -10.362 -2.673 1.00 0.00 C ATOM 1391 NZ LYS A 88 15.333 -10.959 -2.620 1.00 0.00 N ATOM 0 H LYS A 88 12.314 -5.757 -3.147 1.00 0.00 H new ATOM 0 HA LYS A 88 14.187 -6.545 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.284 -7.368 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.512 -8.242 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.043 -7.664 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.844 -8.883 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.620 -9.909 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.774 -8.845 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.757 -9.859 -1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.230 -11.155 -2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.388 -11.629 -1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.527 -11.460 -3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.037 -10.205 -2.486 1.00 0.00 H new ATOM 1405 N TYR A 89 12.258 -4.280 -6.004 1.00 0.00 N ATOM 1406 CA TYR A 89 11.739 -3.447 -7.081 1.00 0.00 C ATOM 1407 C TYR A 89 12.666 -2.265 -7.351 1.00 0.00 C ATOM 1408 O TYR A 89 12.933 -1.921 -8.503 1.00 0.00 O ATOM 1409 CB TYR A 89 10.338 -2.941 -6.733 1.00 0.00 C ATOM 1410 CG TYR A 89 9.885 -1.778 -7.586 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.383 -1.982 -8.865 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.959 -0.473 -7.113 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.969 -0.922 -9.648 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.546 0.592 -7.888 1.00 0.00 C ATOM 1415 CZ TYR A 89 9.052 0.363 -9.155 1.00 0.00 C ATOM 1416 OH TYR A 89 8.640 1.422 -9.931 1.00 0.00 O ATOM 0 H TYR A 89 12.321 -3.810 -5.101 1.00 0.00 H new ATOM 0 HA TYR A 89 11.685 -4.056 -7.983 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.627 -3.760 -6.843 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.319 -2.641 -5.685 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.315 -2.987 -9.254 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.346 -0.289 -6.122 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.582 -1.099 -10.641 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.609 1.599 -7.504 1.00 0.00 H new ATOM 0 HH TYR A 89 8.089 1.091 -10.670 1.00 0.00 H new ATOM 1426 N VAL A 90 13.153 -1.647 -6.280 1.00 0.00 N ATOM 1427 CA VAL A 90 14.052 -0.505 -6.399 1.00 0.00 C ATOM 1428 C VAL A 90 15.457 -0.950 -6.789 1.00 0.00 C ATOM 1429 O VAL A 90 16.182 -0.223 -7.468 1.00 0.00 O ATOM 1430 CB VAL A 90 14.124 0.292 -5.083 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.789 0.960 -4.790 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.540 -0.614 -3.934 1.00 0.00 C ATOM 0 H VAL A 90 12.940 -1.918 -5.320 1.00 0.00 H new ATOM 0 HA VAL A 90 13.647 0.137 -7.182 1.00 0.00 H new ATOM 0 HB VAL A 90 14.877 1.072 -5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.859 1.519 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.537 1.641 -5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.013 0.199 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.586 -0.035 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.812 -1.417 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.521 -1.040 -4.144 1.00 0.00 H new ATOM 1442 N GLU A 91 15.834 -2.148 -6.355 1.00 0.00 N ATOM 1443 CA GLU A 91 17.154 -2.689 -6.659 1.00 0.00 C ATOM 1444 C GLU A 91 17.219 -3.188 -8.100 1.00 0.00 C ATOM 1445 O GLU A 91 18.108 -2.806 -8.860 1.00 0.00 O ATOM 1446 CB GLU A 91 17.496 -3.829 -5.697 1.00 0.00 C ATOM 1447 CG GLU A 91 17.538 -3.404 -4.239 1.00 0.00 C ATOM 1448 CD GLU A 91 18.888 -2.844 -3.833 1.00 0.00 C ATOM 1449 OE1 GLU A 91 19.129 -1.643 -4.078 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.702 -3.607 -3.272 1.00 0.00 O ATOM 0 H GLU A 91 15.245 -2.762 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 91 17.884 -1.889 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.760 -4.624 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.464 -4.247 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.769 -2.652 -4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.299 -4.260 -3.608 1.00 0.00 H new