USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=25 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 19 SER OG : rot -158:sc= 0.459 USER MOD Set 1.2: A 31 ASN : amide:sc= 0.963 K(o=1.4,f=-0.85!) USER MOD Set 2.1: A 23 CYS SG : rot 176:sc= -0.0472 USER MOD Set 2.2: A 26 CYS SG : rot -63:sc= 0.28 USER MOD Set 2.3: A 28 SER OG : rot 80:sc= 1.08 USER MOD Set 2.4: A 54 ASN : amide:sc= -2.91 K(o=-7.7,f=-12!) USER MOD Set 2.5: A 55 HIS : no HE2:sc= -4.99! C(o=-7.7!,f=-10!) USER MOD Set 2.6: A 58 CYS SG : rot -142:sc= -1.13 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 56:sc= -0.0214 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -0.0236 (180deg=-0.245) USER MOD Single : A 18 SER OG : rot 160:sc= -0.403 USER MOD Single : A 21 SER OG : rot 152:sc= 1.55 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= -1.32 (180deg=-2.73!) USER MOD Single : A 25 THR OG1 : rot 160:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -117:sc= -0.379 (180deg=-2.03!) USER MOD Single : A 32 LYS NZ :NH3+ 147:sc= 0.148 (180deg=-0.00036) USER MOD Single : A 34 ASN : amide:sc= 0.0581 X(o=0.058,f=-0.2) 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+ 170:sc= 0 (180deg=-0.0209) USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= -0.0201 (180deg=-0.409) 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= -0.185 K(o=-0.19,f=-0.76) USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.404) 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= -0.0673 K(o=-0.067,f=-1.5) USER MOD Single : A 84 GLN :FLIP amide:sc= -4.38! C(o=-6.2!,f=-4.4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.176) USER MOD Single : A 89 TYR OH : rot 30:sc= -0.825 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.475 11.644 3.785 1.00 0.00 N ATOM 84 CA LYS A 9 9.631 10.612 2.767 1.00 0.00 C ATOM 85 C LYS A 9 8.574 10.758 1.677 1.00 0.00 C ATOM 86 O LYS A 9 7.430 11.134 1.934 1.00 0.00 O ATOM 87 CB LYS A 9 9.535 9.222 3.402 1.00 0.00 C ATOM 88 CG LYS A 9 10.870 8.677 3.877 1.00 0.00 C ATOM 89 CD LYS A 9 10.702 7.754 5.072 1.00 0.00 C ATOM 90 CE LYS A 9 12.043 7.405 5.700 1.00 0.00 C ATOM 91 NZ LYS A 9 11.898 6.415 6.803 1.00 0.00 N ATOM 0 HA LYS A 9 10.615 10.731 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.848 9.265 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.106 8.530 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.353 8.136 3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.527 9.504 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.064 8.232 5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.197 6.840 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.708 7.003 4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.511 8.311 6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.834 6.203 7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.284 6.809 7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.475 5.541 6.431 1.00 0.00 H new ATOM 105 N PRO A 10 8.963 10.453 0.430 1.00 0.00 N ATOM 106 CA PRO A 10 8.063 10.541 -0.724 1.00 0.00 C ATOM 107 C PRO A 10 6.978 9.471 -0.695 1.00 0.00 C ATOM 108 O PRO A 10 5.800 9.762 -0.905 1.00 0.00 O ATOM 109 CB PRO A 10 8.996 10.325 -1.918 1.00 0.00 C ATOM 110 CG PRO A 10 10.137 9.539 -1.371 1.00 0.00 C ATOM 111 CD PRO A 10 10.311 9.998 0.050 1.00 0.00 C ATOM 0 HA PRO A 10 7.526 11.489 -0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.493 9.786 -2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.333 11.275 -2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.930 8.470 -1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.044 9.712 -1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.658 9.190 0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.043 10.802 0.126 1.00 0.00 H new ATOM 119 N TRP A 11 7.381 8.232 -0.435 1.00 0.00 N ATOM 120 CA TRP A 11 6.441 7.118 -0.379 1.00 0.00 C ATOM 121 C TRP A 11 6.186 6.694 1.063 1.00 0.00 C ATOM 122 O TRP A 11 7.057 6.827 1.922 1.00 0.00 O ATOM 123 CB TRP A 11 6.975 5.933 -1.186 1.00 0.00 C ATOM 124 CG TRP A 11 7.110 6.224 -2.650 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.184 6.789 -3.278 1.00 0.00 C ATOM 126 CD2 TRP A 11 6.137 5.967 -3.668 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.937 6.898 -4.625 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.688 6.400 -4.890 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.855 5.411 -3.667 1.00 0.00 C ATOM 130 CZ2 TRP A 11 6.000 6.295 -6.096 1.00 0.00 C ATOM 131 CZ3 TRP A 11 4.173 5.308 -4.865 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.747 5.747 -6.066 1.00 0.00 C ATOM 0 H TRP A 11 8.352 7.974 -0.260 1.00 0.00 H new ATOM 0 HA TRP A 11 5.497 7.448 -0.813 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.948 5.642 -0.790 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.308 5.081 -1.052 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.093 7.104 -2.788 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.579 7.287 -5.316 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.405 5.068 -2.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.440 6.634 -7.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.181 4.882 -4.876 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.189 5.651 -6.986 1.00 0.00 H new ATOM 143 N ARG A 12 4.987 6.182 1.321 1.00 0.00 N ATOM 144 CA ARG A 12 4.618 5.738 2.660 1.00 0.00 C ATOM 145 C ARG A 12 4.107 4.301 2.635 1.00 0.00 C ATOM 146 O ARG A 12 3.542 3.850 1.639 1.00 0.00 O ATOM 147 CB ARG A 12 3.549 6.661 3.249 1.00 0.00 C ATOM 148 CG ARG A 12 2.145 6.363 2.748 1.00 0.00 C ATOM 149 CD ARG A 12 1.090 7.015 3.628 1.00 0.00 C ATOM 150 NE ARG A 12 1.557 8.276 4.199 1.00 0.00 N ATOM 151 CZ ARG A 12 1.067 8.803 5.316 1.00 0.00 C ATOM 152 NH1 ARG A 12 0.101 8.181 5.978 1.00 0.00 N ATOM 153 NH2 ARG A 12 1.544 9.954 5.772 1.00 0.00 N ATOM 0 H ARG A 12 4.255 6.064 0.621 1.00 0.00 H new ATOM 0 HA ARG A 12 5.509 5.777 3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.564 6.574 4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.800 7.694 3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.039 6.722 1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.986 5.285 2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.189 7.194 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.816 6.332 4.432 1.00 0.00 H new ATOM 0 HE ARG A 12 2.300 8.779 3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.268 7.296 5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.273 8.588 6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.287 10.435 5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.168 10.358 6.629 1.00 0.00 H new ATOM 167 N ALA A 13 4.310 3.587 3.737 1.00 0.00 N ATOM 168 CA ALA A 13 3.869 2.202 3.842 1.00 0.00 C ATOM 169 C ALA A 13 3.131 1.958 5.155 1.00 0.00 C ATOM 170 O ALA A 13 3.657 2.236 6.232 1.00 0.00 O ATOM 171 CB ALA A 13 5.056 1.259 3.719 1.00 0.00 C ATOM 0 H ALA A 13 4.777 3.945 4.570 1.00 0.00 H new ATOM 0 HA ALA A 13 3.176 2.005 3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.711 0.228 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.539 1.406 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.770 1.466 4.517 1.00 0.00 H new ATOM 177 N GLU A 14 1.912 1.439 5.056 1.00 0.00 N ATOM 178 CA GLU A 14 1.103 1.160 6.236 1.00 0.00 C ATOM 179 C GLU A 14 -0.181 0.427 5.856 1.00 0.00 C ATOM 180 O GLU A 14 -0.729 0.635 4.774 1.00 0.00 O ATOM 181 CB GLU A 14 0.763 2.461 6.968 1.00 0.00 C ATOM 182 CG GLU A 14 0.030 3.472 6.102 1.00 0.00 C ATOM 183 CD GLU A 14 -0.010 4.853 6.726 1.00 0.00 C ATOM 184 OE1 GLU A 14 1.046 5.324 7.196 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.100 5.464 6.743 1.00 0.00 O ATOM 0 H GLU A 14 1.463 1.203 4.171 1.00 0.00 H new ATOM 0 HA GLU A 14 1.684 0.519 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.150 2.229 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.684 2.912 7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.516 3.531 5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.989 3.126 5.929 1.00 0.00 H new ATOM 192 N TYR A 15 -0.652 -0.431 6.753 1.00 0.00 N ATOM 193 CA TYR A 15 -1.869 -1.198 6.512 1.00 0.00 C ATOM 194 C TYR A 15 -3.108 -0.333 6.720 1.00 0.00 C ATOM 195 O TYR A 15 -3.248 0.333 7.746 1.00 0.00 O ATOM 196 CB TYR A 15 -1.921 -2.415 7.436 1.00 0.00 C ATOM 197 CG TYR A 15 -0.932 -3.498 7.068 1.00 0.00 C ATOM 198 CD1 TYR A 15 -1.172 -4.351 5.998 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.242 -3.668 7.790 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.271 -5.342 5.658 1.00 0.00 C ATOM 201 CE2 TYR A 15 1.150 -4.655 7.457 1.00 0.00 C ATOM 202 CZ TYR A 15 0.888 -5.490 6.390 1.00 0.00 C ATOM 203 OH TYR A 15 1.789 -6.475 6.056 1.00 0.00 O ATOM 0 H TYR A 15 -0.210 -0.613 7.654 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.855 -1.537 5.476 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.729 -2.092 8.459 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.928 -2.832 7.417 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.078 -4.238 5.422 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.449 -3.017 8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.474 -5.997 4.824 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.059 -4.772 8.028 1.00 0.00 H new ATOM 0 HH TYR A 15 2.051 -6.374 5.117 1.00 0.00 H new ATOM 213 N ALA A 16 -4.006 -0.350 5.740 1.00 0.00 N ATOM 214 CA ALA A 16 -5.235 0.429 5.816 1.00 0.00 C ATOM 215 C ALA A 16 -6.059 0.037 7.038 1.00 0.00 C ATOM 216 O ALA A 16 -5.985 -1.097 7.512 1.00 0.00 O ATOM 217 CB ALA A 16 -6.053 0.251 4.546 1.00 0.00 C ATOM 0 H ALA A 16 -3.905 -0.895 4.884 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.964 1.480 5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.968 0.839 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.471 0.588 3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.307 -0.802 4.421 1.00 0.00 H new ATOM 223 N LYS A 17 -6.845 0.981 7.544 1.00 0.00 N ATOM 224 CA LYS A 17 -7.684 0.735 8.710 1.00 0.00 C ATOM 225 C LYS A 17 -9.148 0.591 8.306 1.00 0.00 C ATOM 226 O LYS A 17 -9.951 0.016 9.041 1.00 0.00 O ATOM 227 CB LYS A 17 -7.533 1.873 9.723 1.00 0.00 C ATOM 228 CG LYS A 17 -6.180 1.898 10.411 1.00 0.00 C ATOM 229 CD LYS A 17 -6.085 3.037 11.413 1.00 0.00 C ATOM 230 CE LYS A 17 -4.840 2.916 12.278 1.00 0.00 C ATOM 231 NZ LYS A 17 -4.908 1.740 13.188 1.00 0.00 N ATOM 0 H LYS A 17 -6.918 1.925 7.164 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.358 -0.198 9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.690 2.824 9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.314 1.782 10.478 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.012 0.949 10.920 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.393 2.002 9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.070 3.989 10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.971 3.040 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.961 2.830 11.639 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.718 3.825 12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.203 1.846 13.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.859 1.679 13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.710 0.873 12.650 1.00 0.00 H new ATOM 245 N SER A 18 -9.488 1.116 7.133 1.00 0.00 N ATOM 246 CA SER A 18 -10.856 1.047 6.633 1.00 0.00 C ATOM 247 C SER A 18 -10.873 0.930 5.112 1.00 0.00 C ATOM 248 O SER A 18 -9.896 1.264 4.442 1.00 0.00 O ATOM 249 CB SER A 18 -11.644 2.284 7.070 1.00 0.00 C ATOM 250 OG SER A 18 -13.026 2.130 6.798 1.00 0.00 O ATOM 0 H SER A 18 -8.835 1.594 6.512 1.00 0.00 H new ATOM 0 HA SER A 18 -11.326 0.158 7.054 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.497 2.455 8.136 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.264 3.164 6.551 1.00 0.00 H new ATOM 0 HG SER A 18 -13.540 2.754 7.352 1.00 0.00 H new ATOM 256 N SER A 19 -11.991 0.453 4.574 1.00 0.00 N ATOM 257 CA SER A 19 -12.136 0.288 3.132 1.00 0.00 C ATOM 258 C SER A 19 -12.770 1.525 2.505 1.00 0.00 C ATOM 259 O SER A 19 -13.520 1.426 1.533 1.00 0.00 O ATOM 260 CB SER A 19 -12.983 -0.948 2.822 1.00 0.00 C ATOM 261 OG SER A 19 -12.643 -2.027 3.675 1.00 0.00 O ATOM 0 H SER A 19 -12.810 0.174 5.115 1.00 0.00 H new ATOM 0 HA SER A 19 -11.142 0.155 2.704 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.040 -0.707 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.836 -1.242 1.783 1.00 0.00 H new ATOM 0 HG SER A 19 -12.910 -2.872 3.256 1.00 0.00 H new ATOM 267 N ARG A 20 -12.465 2.689 3.068 1.00 0.00 N ATOM 268 CA ARG A 20 -13.006 3.946 2.565 1.00 0.00 C ATOM 269 C ARG A 20 -12.137 4.500 1.439 1.00 0.00 C ATOM 270 O ARG A 20 -12.645 5.067 0.471 1.00 0.00 O ATOM 271 CB ARG A 20 -13.108 4.971 3.696 1.00 0.00 C ATOM 272 CG ARG A 20 -14.175 4.636 4.726 1.00 0.00 C ATOM 273 CD ARG A 20 -14.555 5.856 5.550 1.00 0.00 C ATOM 274 NE ARG A 20 -13.728 5.988 6.747 1.00 0.00 N ATOM 275 CZ ARG A 20 -12.524 6.550 6.750 1.00 0.00 C ATOM 276 NH1 ARG A 20 -12.010 7.030 5.625 1.00 0.00 N ATOM 277 NH2 ARG A 20 -11.833 6.633 7.879 1.00 0.00 N ATOM 0 H ARG A 20 -11.846 2.788 3.873 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.003 3.751 2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.142 5.045 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.322 5.951 3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.059 4.246 4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.811 3.849 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.453 6.752 4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.603 5.785 5.840 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.095 5.629 7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.539 6.968 4.755 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.086 7.461 5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.226 6.265 8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.909 7.065 7.881 1.00 0.00 H new ATOM 291 N SER A 21 -10.826 4.334 1.574 1.00 0.00 N ATOM 292 CA SER A 21 -9.886 4.821 0.571 1.00 0.00 C ATOM 293 C SER A 21 -9.975 3.990 -0.705 1.00 0.00 C ATOM 294 O SER A 21 -10.232 2.787 -0.660 1.00 0.00 O ATOM 295 CB SER A 21 -8.458 4.784 1.119 1.00 0.00 C ATOM 296 OG SER A 21 -7.535 5.293 0.171 1.00 0.00 O ATOM 0 H SER A 21 -10.390 3.866 2.368 1.00 0.00 H new ATOM 0 HA SER A 21 -10.149 5.851 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.402 5.370 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.191 3.759 1.378 1.00 0.00 H new ATOM 0 HG SER A 21 -6.768 5.684 0.639 1.00 0.00 H new ATOM 302 N SER A 22 -9.759 4.641 -1.844 1.00 0.00 N ATOM 303 CA SER A 22 -9.818 3.964 -3.134 1.00 0.00 C ATOM 304 C SER A 22 -8.571 4.261 -3.961 1.00 0.00 C ATOM 305 O SER A 22 -8.144 5.411 -4.072 1.00 0.00 O ATOM 306 CB SER A 22 -11.068 4.396 -3.904 1.00 0.00 C ATOM 307 OG SER A 22 -12.173 4.557 -3.032 1.00 0.00 O ATOM 0 H SER A 22 -9.542 5.636 -1.899 1.00 0.00 H new ATOM 0 HA SER A 22 -9.865 2.891 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.872 5.333 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.306 3.652 -4.664 1.00 0.00 H new ATOM 0 HG SER A 22 -12.959 4.835 -3.548 1.00 0.00 H new ATOM 313 N CYS A 23 -7.989 3.215 -4.540 1.00 0.00 N ATOM 314 CA CYS A 23 -6.790 3.361 -5.356 1.00 0.00 C ATOM 315 C CYS A 23 -7.032 4.331 -6.509 1.00 0.00 C ATOM 316 O CYS A 23 -8.175 4.612 -6.870 1.00 0.00 O ATOM 317 CB CYS A 23 -6.352 2.001 -5.903 1.00 0.00 C ATOM 318 SG CYS A 23 -4.836 2.059 -6.912 1.00 0.00 S ATOM 0 H CYS A 23 -8.329 2.257 -4.459 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.998 3.764 -4.725 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.194 1.319 -5.067 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.161 1.586 -6.505 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.499 0.852 -7.258 1.00 0.00 H new ATOM 323 N LYS A 24 -5.948 4.840 -7.084 1.00 0.00 N ATOM 324 CA LYS A 24 -6.040 5.777 -8.197 1.00 0.00 C ATOM 325 C LYS A 24 -5.545 5.136 -9.490 1.00 0.00 C ATOM 326 O LYS A 24 -5.989 5.493 -10.582 1.00 0.00 O ATOM 327 CB LYS A 24 -5.226 7.038 -7.898 1.00 0.00 C ATOM 328 CG LYS A 24 -5.659 7.754 -6.629 1.00 0.00 C ATOM 329 CD LYS A 24 -6.736 8.788 -6.912 1.00 0.00 C ATOM 330 CE LYS A 24 -6.137 10.094 -7.411 1.00 0.00 C ATOM 331 NZ LYS A 24 -5.756 10.016 -8.849 1.00 0.00 N ATOM 0 H LYS A 24 -4.994 4.619 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.088 6.049 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.173 6.769 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.312 7.724 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.033 7.026 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.797 8.241 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.431 8.397 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.311 8.973 -6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.856 10.901 -7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.258 10.342 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.825 10.961 -9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.779 9.669 -8.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.398 9.364 -9.343 1.00 0.00 H new ATOM 345 N THR A 25 -4.625 4.186 -9.360 1.00 0.00 N ATOM 346 CA THR A 25 -4.071 3.495 -10.518 1.00 0.00 C ATOM 347 C THR A 25 -5.110 2.588 -11.166 1.00 0.00 C ATOM 348 O THR A 25 -5.214 2.522 -12.392 1.00 0.00 O ATOM 349 CB THR A 25 -2.839 2.653 -10.134 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.702 3.503 -9.953 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.538 1.615 -11.204 1.00 0.00 C ATOM 0 H THR A 25 -4.247 3.877 -8.464 1.00 0.00 H new ATOM 0 HA THR A 25 -3.769 4.263 -11.230 1.00 0.00 H new ATOM 0 HB THR A 25 -3.057 2.135 -9.200 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.028 3.038 -9.414 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.664 1.033 -10.911 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.395 0.951 -11.318 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.339 2.116 -12.151 1.00 0.00 H new ATOM 359 N CYS A 26 -5.879 1.890 -10.337 1.00 0.00 N ATOM 360 CA CYS A 26 -6.912 0.987 -10.829 1.00 0.00 C ATOM 361 C CYS A 26 -8.304 1.546 -10.549 1.00 0.00 C ATOM 362 O CYS A 26 -9.295 1.092 -11.120 1.00 0.00 O ATOM 363 CB CYS A 26 -6.765 -0.391 -10.181 1.00 0.00 C ATOM 364 SG CYS A 26 -7.126 -0.415 -8.395 1.00 0.00 S ATOM 0 H CYS A 26 -5.806 1.933 -9.321 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.789 0.890 -11.908 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.432 -1.091 -10.685 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.748 -0.749 -10.340 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.272 0.339 -7.769 1.00 0.00 H new ATOM 369 N LYS A 27 -8.370 2.537 -9.666 1.00 0.00 N ATOM 370 CA LYS A 27 -9.638 3.161 -9.310 1.00 0.00 C ATOM 371 C LYS A 27 -10.538 2.180 -8.565 1.00 0.00 C ATOM 372 O LYS A 27 -11.744 2.125 -8.804 1.00 0.00 O ATOM 373 CB LYS A 27 -10.350 3.671 -10.565 1.00 0.00 C ATOM 374 CG LYS A 27 -9.450 4.469 -11.492 1.00 0.00 C ATOM 375 CD LYS A 27 -9.021 5.782 -10.859 1.00 0.00 C ATOM 376 CE LYS A 27 -10.131 6.821 -10.923 1.00 0.00 C ATOM 377 NZ LYS A 27 -11.024 6.752 -9.734 1.00 0.00 N ATOM 0 H LYS A 27 -7.559 2.925 -9.184 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.427 4.004 -8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.759 2.821 -11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.194 4.293 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.568 3.879 -11.741 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.974 4.669 -12.427 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.740 5.611 -9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.136 6.161 -11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.693 7.817 -10.991 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.719 6.669 -11.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.986 6.499 -10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.668 6.031 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.042 7.677 -9.259 1.00 0.00 H new ATOM 391 N SER A 28 -9.943 1.407 -7.662 1.00 0.00 N ATOM 392 CA SER A 28 -10.691 0.426 -6.884 1.00 0.00 C ATOM 393 C SER A 28 -10.655 0.769 -5.398 1.00 0.00 C ATOM 394 O SER A 28 -10.027 1.747 -4.989 1.00 0.00 O ATOM 395 CB SER A 28 -10.122 -0.976 -7.109 1.00 0.00 C ATOM 396 OG SER A 28 -9.872 -1.210 -8.485 1.00 0.00 O ATOM 0 H SER A 28 -8.946 1.441 -7.451 1.00 0.00 H new ATOM 0 HA SER A 28 -11.728 0.448 -7.219 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.198 -1.092 -6.543 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.822 -1.721 -6.731 1.00 0.00 H new ATOM 0 HG SER A 28 -9.025 -0.788 -8.740 1.00 0.00 H new ATOM 402 N VAL A 29 -11.333 -0.043 -4.593 1.00 0.00 N ATOM 403 CA VAL A 29 -11.378 0.173 -3.151 1.00 0.00 C ATOM 404 C VAL A 29 -10.257 -0.583 -2.447 1.00 0.00 C ATOM 405 O VAL A 29 -9.954 -1.726 -2.791 1.00 0.00 O ATOM 406 CB VAL A 29 -12.730 -0.268 -2.560 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.555 -0.756 -1.130 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.736 0.871 -2.624 1.00 0.00 C ATOM 0 H VAL A 29 -11.858 -0.856 -4.914 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.250 1.243 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.114 -1.096 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.521 -1.063 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.870 -1.604 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.148 0.049 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.686 0.542 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.361 1.721 -2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.884 1.168 -3.662 1.00 0.00 H new ATOM 418 N ILE A 30 -9.646 0.062 -1.459 1.00 0.00 N ATOM 419 CA ILE A 30 -8.559 -0.551 -0.705 1.00 0.00 C ATOM 420 C ILE A 30 -9.028 -0.988 0.678 1.00 0.00 C ATOM 421 O ILE A 30 -8.944 -0.227 1.642 1.00 0.00 O ATOM 422 CB ILE A 30 -7.368 0.413 -0.551 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.814 0.799 -1.924 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.281 -0.220 0.305 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.028 2.091 -1.917 1.00 0.00 C ATOM 0 H ILE A 30 -9.885 1.008 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.237 -1.426 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.715 1.318 -0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.173 -0.005 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.641 0.890 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.446 0.474 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.682 -0.449 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.935 -1.139 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.666 2.302 -2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.671 2.906 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.180 1.997 -1.238 1.00 0.00 H new ATOM 437 N ASN A 31 -9.520 -2.219 0.769 1.00 0.00 N ATOM 438 CA ASN A 31 -10.001 -2.758 2.035 1.00 0.00 C ATOM 439 C ASN A 31 -8.908 -2.708 3.099 1.00 0.00 C ATOM 440 O ASN A 31 -7.721 -2.803 2.789 1.00 0.00 O ATOM 441 CB ASN A 31 -10.482 -4.199 1.850 1.00 0.00 C ATOM 442 CG ASN A 31 -11.859 -4.273 1.219 1.00 0.00 C ATOM 443 OD1 ASN A 31 -12.844 -3.811 1.795 1.00 0.00 O ATOM 444 ND2 ASN A 31 -11.933 -4.856 0.028 1.00 0.00 N ATOM 0 H ASN A 31 -9.596 -2.862 -0.019 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.837 -2.143 2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.770 -4.739 1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.502 -4.700 2.818 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.833 -4.935 -0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.090 -5.225 -0.412 1.00 0.00 H new ATOM 451 N LYS A 32 -9.318 -2.558 4.354 1.00 0.00 N ATOM 452 CA LYS A 32 -8.376 -2.496 5.465 1.00 0.00 C ATOM 453 C LYS A 32 -7.612 -3.809 5.604 1.00 0.00 C ATOM 454 O LYS A 32 -8.025 -4.837 5.067 1.00 0.00 O ATOM 455 CB LYS A 32 -9.113 -2.182 6.769 1.00 0.00 C ATOM 456 CG LYS A 32 -9.757 -3.398 7.412 1.00 0.00 C ATOM 457 CD LYS A 32 -11.095 -3.052 8.044 1.00 0.00 C ATOM 458 CE LYS A 32 -10.935 -2.654 9.503 1.00 0.00 C ATOM 459 NZ LYS A 32 -12.064 -1.803 9.972 1.00 0.00 N ATOM 0 H LYS A 32 -10.297 -2.477 4.627 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.661 -1.700 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.412 -1.737 7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.883 -1.436 6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.898 -4.176 6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.090 -3.806 8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.559 -2.235 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.766 -3.908 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.875 -3.551 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.996 -2.115 9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.252 -1.998 10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.815 -0.800 9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.915 -2.016 9.413 1.00 0.00 H new ATOM 473 N GLU A 33 -6.499 -3.767 6.329 1.00 0.00 N ATOM 474 CA GLU A 33 -5.679 -4.955 6.538 1.00 0.00 C ATOM 475 C GLU A 33 -4.918 -5.321 5.267 1.00 0.00 C ATOM 476 O GLU A 33 -4.550 -6.478 5.063 1.00 0.00 O ATOM 477 CB GLU A 33 -6.551 -6.132 6.981 1.00 0.00 C ATOM 478 CG GLU A 33 -7.651 -5.743 7.954 1.00 0.00 C ATOM 479 CD GLU A 33 -7.972 -6.846 8.943 1.00 0.00 C ATOM 480 OE1 GLU A 33 -8.817 -7.706 8.620 1.00 0.00 O ATOM 481 OE2 GLU A 33 -7.376 -6.849 10.041 1.00 0.00 O ATOM 0 H GLU A 33 -6.144 -2.924 6.781 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.956 -4.733 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.002 -6.591 6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.918 -6.888 7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.349 -4.848 8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.551 -5.488 7.395 1.00 0.00 H new ATOM 488 N ASN A 34 -4.685 -4.327 4.416 1.00 0.00 N ATOM 489 CA ASN A 34 -3.969 -4.544 3.165 1.00 0.00 C ATOM 490 C ASN A 34 -2.787 -3.588 3.042 1.00 0.00 C ATOM 491 O ASN A 34 -2.870 -2.426 3.442 1.00 0.00 O ATOM 492 CB ASN A 34 -4.913 -4.362 1.974 1.00 0.00 C ATOM 493 CG ASN A 34 -5.615 -5.651 1.591 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.977 -6.690 1.417 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.934 -5.588 1.457 1.00 0.00 N ATOM 0 H ASN A 34 -4.982 -3.363 4.570 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.589 -5.566 3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.658 -3.604 2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.348 -3.991 1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.461 -6.423 1.200 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.421 -4.705 1.611 1.00 0.00 H new ATOM 502 N PHE A 35 -1.687 -4.084 2.485 1.00 0.00 N ATOM 503 CA PHE A 35 -0.487 -3.274 2.309 1.00 0.00 C ATOM 504 C PHE A 35 -0.612 -2.375 1.082 1.00 0.00 C ATOM 505 O PHE A 35 -0.596 -2.851 -0.054 1.00 0.00 O ATOM 506 CB PHE A 35 0.745 -4.171 2.174 1.00 0.00 C ATOM 507 CG PHE A 35 1.920 -3.485 1.540 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.097 -2.117 1.676 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.848 -4.206 0.807 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.178 -1.482 1.094 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.932 -3.577 0.223 1.00 0.00 C ATOM 512 CZ PHE A 35 4.096 -2.213 0.366 1.00 0.00 C ATOM 0 H PHE A 35 -1.602 -5.043 2.148 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.373 -2.643 3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.034 -4.529 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.483 -5.047 1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.382 -1.540 2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.723 -5.272 0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.305 -0.416 1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.649 -4.151 -0.344 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.941 -1.719 -0.091 1.00 0.00 H new ATOM 522 N ARG A 36 -0.738 -1.074 1.319 1.00 0.00 N ATOM 523 CA ARG A 36 -0.868 -0.108 0.234 1.00 0.00 C ATOM 524 C ARG A 36 0.306 0.866 0.230 1.00 0.00 C ATOM 525 O ARG A 36 1.200 0.782 1.074 1.00 0.00 O ATOM 526 CB ARG A 36 -2.183 0.661 0.363 1.00 0.00 C ATOM 527 CG ARG A 36 -2.389 1.292 1.731 1.00 0.00 C ATOM 528 CD ARG A 36 -3.667 2.115 1.779 1.00 0.00 C ATOM 529 NE ARG A 36 -3.765 2.902 3.005 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.880 3.503 3.405 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.985 3.408 2.679 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.891 4.202 4.533 1.00 0.00 N ATOM 0 H ARG A 36 -0.753 -0.664 2.253 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.866 -0.655 -0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.213 1.442 -0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.012 -0.016 0.156 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.429 0.511 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.537 1.927 1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.702 2.781 0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.529 1.451 1.704 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.932 2.995 3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.980 2.872 1.811 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.840 3.870 2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.043 4.278 5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.748 4.663 4.839 1.00 0.00 H new ATOM 546 N LEU A 37 0.298 1.790 -0.724 1.00 0.00 N ATOM 547 CA LEU A 37 1.362 2.782 -0.839 1.00 0.00 C ATOM 548 C LEU A 37 0.785 4.176 -1.065 1.00 0.00 C ATOM 549 O LEU A 37 -0.059 4.375 -1.937 1.00 0.00 O ATOM 550 CB LEU A 37 2.306 2.415 -1.985 1.00 0.00 C ATOM 551 CG LEU A 37 3.264 1.253 -1.721 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.094 0.954 -2.959 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.165 1.565 -0.535 1.00 0.00 C ATOM 0 H LEU A 37 -0.434 1.873 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 37 1.922 2.789 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.704 2.171 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.896 3.296 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 37 2.675 0.368 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.770 0.124 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.434 0.687 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.674 1.836 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.840 0.727 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.747 2.462 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.554 1.729 0.353 1.00 0.00 H new ATOM 565 N GLY A 38 1.250 5.138 -0.274 1.00 0.00 N ATOM 566 CA GLY A 38 0.771 6.502 -0.405 1.00 0.00 C ATOM 567 C GLY A 38 1.843 7.447 -0.912 1.00 0.00 C ATOM 568 O GLY A 38 2.739 7.839 -0.164 1.00 0.00 O ATOM 0 H GLY A 38 1.950 4.997 0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.079 6.521 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.411 6.852 0.562 1.00 0.00 H new ATOM 572 N LYS A 39 1.753 7.812 -2.186 1.00 0.00 N ATOM 573 CA LYS A 39 2.722 8.716 -2.793 1.00 0.00 C ATOM 574 C LYS A 39 2.475 10.155 -2.351 1.00 0.00 C ATOM 575 O LYS A 39 1.596 10.836 -2.882 1.00 0.00 O ATOM 576 CB LYS A 39 2.653 8.621 -4.319 1.00 0.00 C ATOM 577 CG LYS A 39 3.642 9.528 -5.030 1.00 0.00 C ATOM 578 CD LYS A 39 3.874 9.083 -6.465 1.00 0.00 C ATOM 579 CE LYS A 39 5.210 9.580 -6.993 1.00 0.00 C ATOM 580 NZ LYS A 39 5.108 10.957 -7.553 1.00 0.00 N ATOM 0 H LYS A 39 1.018 7.495 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 39 3.717 8.418 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.838 7.590 -4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.644 8.872 -4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.269 10.552 -5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.589 9.529 -4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.842 7.995 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.069 9.457 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.945 9.569 -6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.571 8.900 -7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.040 11.260 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.425 10.963 -8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.788 11.611 -6.810 1.00 0.00 H new ATOM 594 N LEU A 40 3.255 10.613 -1.378 1.00 0.00 N ATOM 595 CA LEU A 40 3.122 11.972 -0.866 1.00 0.00 C ATOM 596 C LEU A 40 3.666 12.987 -1.867 1.00 0.00 C ATOM 597 O LEU A 40 4.849 12.969 -2.204 1.00 0.00 O ATOM 598 CB LEU A 40 3.858 12.110 0.468 1.00 0.00 C ATOM 599 CG LEU A 40 3.588 11.015 1.500 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.508 11.173 2.700 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.130 11.041 1.936 1.00 0.00 C ATOM 0 H LEU A 40 3.986 10.063 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 40 2.062 12.173 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.929 12.137 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.592 13.071 0.909 1.00 0.00 H new ATOM 0 HG LEU A 40 3.791 10.049 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.301 10.385 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.546 11.103 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.338 12.145 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.956 10.255 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.900 12.010 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.488 10.877 1.070 1.00 0.00 H new ATOM 613 N VAL A 41 2.793 13.872 -2.338 1.00 0.00 N ATOM 614 CA VAL A 41 3.185 14.897 -3.297 1.00 0.00 C ATOM 615 C VAL A 41 2.929 16.295 -2.745 1.00 0.00 C ATOM 616 O VAL A 41 2.218 16.459 -1.754 1.00 0.00 O ATOM 617 CB VAL A 41 2.430 14.737 -4.630 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.803 13.424 -5.301 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.928 14.822 -4.404 1.00 0.00 C ATOM 0 H VAL A 41 1.809 13.899 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 41 4.253 14.771 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 41 2.722 15.551 -5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.260 13.329 -6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.875 13.408 -5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.542 12.593 -4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.410 14.707 -5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.617 14.029 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.680 15.791 -3.970 1.00 0.00 H new ATOM 777 N MET A 52 -1.590 10.148 -2.093 1.00 0.00 N ATOM 778 CA MET A 52 -2.109 9.332 -3.184 1.00 0.00 C ATOM 779 C MET A 52 -2.104 7.854 -2.807 1.00 0.00 C ATOM 780 O MET A 52 -1.081 7.178 -2.923 1.00 0.00 O ATOM 781 CB MET A 52 -1.281 9.550 -4.451 1.00 0.00 C ATOM 782 CG MET A 52 -1.386 10.959 -5.012 1.00 0.00 C ATOM 783 SD MET A 52 -2.735 11.136 -6.195 1.00 0.00 S ATOM 784 CE MET A 52 -3.203 12.843 -5.921 1.00 0.00 C ATOM 0 HA MET A 52 -3.138 9.637 -3.375 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.235 9.331 -4.234 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.604 8.840 -5.212 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.532 11.662 -4.192 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.446 11.224 -5.496 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.029 13.104 -6.582 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.513 12.973 -4.884 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.352 13.492 -6.130 1.00 0.00 H new ATOM 794 N TRP A 53 -3.251 7.359 -2.355 1.00 0.00 N ATOM 795 CA TRP A 53 -3.377 5.961 -1.960 1.00 0.00 C ATOM 796 C TRP A 53 -3.440 5.053 -3.184 1.00 0.00 C ATOM 797 O TRP A 53 -4.267 5.251 -4.073 1.00 0.00 O ATOM 798 CB TRP A 53 -4.625 5.763 -1.099 1.00 0.00 C ATOM 799 CG TRP A 53 -4.523 6.406 0.251 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.389 7.311 0.795 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.497 6.193 1.226 1.00 0.00 C ATOM 802 NE1 TRP A 53 -4.962 7.675 2.050 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.804 7.002 2.338 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.349 5.397 1.269 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -3.004 7.036 3.477 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.556 5.433 2.400 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.886 6.247 3.492 1.00 0.00 C ATOM 0 H TRP A 53 -4.107 7.905 -2.253 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.496 5.694 -1.377 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.488 6.172 -1.624 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.805 4.695 -0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.279 7.686 0.311 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.431 8.338 2.667 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.086 4.765 0.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.257 7.663 4.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.666 4.823 2.443 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.246 6.252 4.362 1.00 0.00 H new ATOM 818 N ASN A 54 -2.560 4.057 -3.223 1.00 0.00 N ATOM 819 CA ASN A 54 -2.516 3.120 -4.339 1.00 0.00 C ATOM 820 C ASN A 54 -2.023 1.751 -3.880 1.00 0.00 C ATOM 821 O ASN A 54 -1.016 1.677 -3.178 1.00 0.00 O ATOM 822 CB ASN A 54 -1.608 3.656 -5.448 1.00 0.00 C ATOM 823 CG ASN A 54 -1.913 5.100 -5.796 1.00 0.00 C ATOM 824 OD1 ASN A 54 -2.919 5.396 -6.441 1.00 0.00 O ATOM 825 ND2 ASN A 54 -1.042 6.008 -5.370 1.00 0.00 N ATOM 0 H ASN A 54 -1.868 3.879 -2.495 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.528 3.011 -4.729 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.567 3.573 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.723 3.038 -6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.194 6.996 -5.575 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.221 5.718 -4.838 1.00 0.00 H new ATOM 832 N HIS A 55 -2.735 0.708 -4.283 1.00 0.00 N ATOM 833 CA HIS A 55 -2.359 -0.644 -3.907 1.00 0.00 C ATOM 834 C HIS A 55 -0.852 -0.828 -4.092 1.00 0.00 C ATOM 835 O HIS A 55 -0.254 -0.373 -5.066 1.00 0.00 O ATOM 836 CB HIS A 55 -3.182 -1.673 -4.686 1.00 0.00 C ATOM 837 CG HIS A 55 -4.668 -1.592 -4.430 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.554 -1.025 -5.330 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.414 -2.012 -3.368 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.775 -1.105 -4.821 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.686 -1.717 -3.606 1.00 0.00 N ATOM 0 H HIS A 55 -3.570 0.772 -4.866 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.583 -0.808 -2.853 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.999 -1.537 -5.752 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.833 -2.673 -4.428 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.309 -0.615 -6.231 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.034 -2.502 -2.483 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.682 -0.748 -5.287 1.00 0.00 H new ATOM 849 N ALA A 56 -0.247 -1.512 -3.126 1.00 0.00 N ATOM 850 CA ALA A 56 1.187 -1.773 -3.158 1.00 0.00 C ATOM 851 C ALA A 56 1.577 -2.541 -4.417 1.00 0.00 C ATOM 852 O ALA A 56 2.748 -2.579 -4.794 1.00 0.00 O ATOM 853 CB ALA A 56 1.611 -2.543 -1.916 1.00 0.00 C ATOM 0 H ALA A 56 -0.728 -1.895 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 56 1.706 -0.814 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.684 -2.731 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.376 -1.958 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.077 -3.493 -1.877 1.00 0.00 H new ATOM 859 N SER A 57 0.588 -3.151 -5.062 1.00 0.00 N ATOM 860 CA SER A 57 0.829 -3.922 -6.276 1.00 0.00 C ATOM 861 C SER A 57 0.563 -3.077 -7.518 1.00 0.00 C ATOM 862 O SER A 57 1.052 -3.380 -8.607 1.00 0.00 O ATOM 863 CB SER A 57 -0.054 -5.171 -6.297 1.00 0.00 C ATOM 864 OG SER A 57 0.124 -5.902 -7.498 1.00 0.00 O ATOM 0 H SER A 57 -0.387 -3.126 -4.764 1.00 0.00 H new ATOM 0 HA SER A 57 1.876 -4.226 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.186 -5.804 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.100 -4.882 -6.195 1.00 0.00 H new ATOM 0 HG SER A 57 -0.450 -6.696 -7.486 1.00 0.00 H new ATOM 870 N CYS A 58 -0.215 -2.013 -7.347 1.00 0.00 N ATOM 871 CA CYS A 58 -0.548 -1.123 -8.452 1.00 0.00 C ATOM 872 C CYS A 58 0.617 -0.190 -8.769 1.00 0.00 C ATOM 873 O CYS A 58 0.774 0.259 -9.905 1.00 0.00 O ATOM 874 CB CYS A 58 -1.795 -0.302 -8.115 1.00 0.00 C ATOM 875 SG CYS A 58 -3.360 -1.215 -8.305 1.00 0.00 S ATOM 0 H CYS A 58 -0.627 -1.746 -6.453 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.750 -1.736 -9.331 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.716 0.053 -7.087 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.821 0.579 -8.756 1.00 0.00 H new ATOM 0 HG CYS A 58 -4.269 -0.422 -8.789 1.00 0.00 H new ATOM 880 N ILE A 59 1.431 0.095 -7.759 1.00 0.00 N ATOM 881 CA ILE A 59 2.583 0.973 -7.930 1.00 0.00 C ATOM 882 C ILE A 59 3.809 0.187 -8.383 1.00 0.00 C ATOM 883 O ILE A 59 4.438 0.522 -9.387 1.00 0.00 O ATOM 884 CB ILE A 59 2.918 1.722 -6.628 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.713 2.540 -6.159 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.129 2.621 -6.831 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.412 3.732 -7.039 1.00 0.00 C ATOM 0 H ILE A 59 1.315 -0.269 -6.813 1.00 0.00 H new ATOM 0 HA ILE A 59 2.316 1.700 -8.698 1.00 0.00 H new ATOM 0 HB ILE A 59 3.158 0.990 -5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.836 1.893 -6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.893 2.886 -5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.354 3.144 -5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.987 2.015 -7.123 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.915 3.348 -7.614 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.546 4.265 -6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.273 4.400 -7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.200 3.392 -8.052 1.00 0.00 H new ATOM 899 N LEU A 60 4.143 -0.859 -7.636 1.00 0.00 N ATOM 900 CA LEU A 60 5.294 -1.695 -7.961 1.00 0.00 C ATOM 901 C LEU A 60 5.253 -2.134 -9.421 1.00 0.00 C ATOM 902 O LEU A 60 6.285 -2.200 -10.090 1.00 0.00 O ATOM 903 CB LEU A 60 5.332 -2.922 -7.048 1.00 0.00 C ATOM 904 CG LEU A 60 5.567 -2.647 -5.562 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.402 -3.922 -4.750 1.00 0.00 C ATOM 906 CD2 LEU A 60 6.949 -2.048 -5.343 1.00 0.00 C ATOM 0 H LEU A 60 3.634 -1.149 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 60 6.197 -1.105 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.388 -3.457 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.118 -3.589 -7.402 1.00 0.00 H new ATOM 0 HG LEU A 60 4.822 -1.927 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.573 -3.706 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.392 -4.309 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.123 -4.666 -5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.099 -1.859 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.708 -2.745 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.031 -1.111 -5.894 1.00 0.00 H new ATOM 918 N LYS A 61 4.054 -2.432 -9.911 1.00 0.00 N ATOM 919 CA LYS A 61 3.877 -2.861 -11.293 1.00 0.00 C ATOM 920 C LYS A 61 4.361 -1.788 -12.262 1.00 0.00 C ATOM 921 O LYS A 61 4.755 -2.086 -13.390 1.00 0.00 O ATOM 922 CB LYS A 61 2.406 -3.182 -11.564 1.00 0.00 C ATOM 923 CG LYS A 61 1.500 -1.964 -11.527 1.00 0.00 C ATOM 924 CD LYS A 61 0.308 -2.126 -12.455 1.00 0.00 C ATOM 925 CE LYS A 61 -0.729 -1.037 -12.226 1.00 0.00 C ATOM 926 NZ LYS A 61 -1.593 -0.834 -13.422 1.00 0.00 N ATOM 0 H LYS A 61 3.190 -2.384 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 61 4.473 -3.760 -11.447 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.321 -3.658 -12.541 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.059 -3.905 -10.826 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.149 -1.802 -10.508 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.068 -1.079 -11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.646 -2.096 -13.491 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.148 -3.103 -12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.350 -1.301 -11.370 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.226 -0.102 -11.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.388 -0.211 -13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.035 -0.397 -14.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.960 -1.752 -13.745 1.00 0.00 H new ATOM 940 N LYS A 62 4.330 -0.536 -11.816 1.00 0.00 N ATOM 941 CA LYS A 62 4.768 0.582 -12.643 1.00 0.00 C ATOM 942 C LYS A 62 6.283 0.748 -12.575 1.00 0.00 C ATOM 943 O LYS A 62 6.979 -0.055 -11.953 1.00 0.00 O ATOM 944 CB LYS A 62 4.082 1.874 -12.193 1.00 0.00 C ATOM 945 CG LYS A 62 2.567 1.823 -12.285 1.00 0.00 C ATOM 946 CD LYS A 62 1.944 3.177 -11.991 1.00 0.00 C ATOM 947 CE LYS A 62 1.888 3.452 -10.496 1.00 0.00 C ATOM 948 NZ LYS A 62 1.628 4.889 -10.206 1.00 0.00 N ATOM 0 H LYS A 62 4.006 -0.271 -10.886 1.00 0.00 H new ATOM 0 HA LYS A 62 4.489 0.370 -13.675 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.368 2.087 -11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.447 2.700 -12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.273 1.495 -13.282 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.184 1.085 -11.581 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.521 3.959 -12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.937 3.213 -12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.105 2.843 -10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.830 3.153 -10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.017 5.131 -9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.082 5.478 -10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.603 5.064 -10.210 1.00 0.00 H new ATOM 962 N THR A 63 6.788 1.796 -13.219 1.00 0.00 N ATOM 963 CA THR A 63 8.220 2.067 -13.232 1.00 0.00 C ATOM 964 C THR A 63 8.508 3.518 -12.865 1.00 0.00 C ATOM 965 O THR A 63 7.632 4.378 -12.955 1.00 0.00 O ATOM 966 CB THR A 63 8.836 1.766 -14.612 1.00 0.00 C ATOM 967 OG1 THR A 63 8.299 0.545 -15.132 1.00 0.00 O ATOM 968 CG2 THR A 63 10.351 1.660 -14.516 1.00 0.00 C ATOM 0 H THR A 63 6.226 2.471 -13.738 1.00 0.00 H new ATOM 0 HA THR A 63 8.673 1.411 -12.489 1.00 0.00 H new ATOM 0 HB THR A 63 8.587 2.587 -15.284 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.694 0.362 -16.010 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.764 1.447 -15.502 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.759 2.601 -14.147 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.617 0.856 -13.830 1.00 0.00 H new ATOM 976 N LYS A 64 9.742 3.785 -12.451 1.00 0.00 N ATOM 977 CA LYS A 64 10.148 5.133 -12.072 1.00 0.00 C ATOM 978 C LYS A 64 9.244 5.685 -10.974 1.00 0.00 C ATOM 979 O LYS A 64 8.759 6.812 -11.066 1.00 0.00 O ATOM 980 CB LYS A 64 10.113 6.060 -13.290 1.00 0.00 C ATOM 981 CG LYS A 64 11.082 5.657 -14.388 1.00 0.00 C ATOM 982 CD LYS A 64 11.532 6.859 -15.202 1.00 0.00 C ATOM 983 CE LYS A 64 11.948 6.455 -16.608 1.00 0.00 C ATOM 984 NZ LYS A 64 13.283 5.794 -16.623 1.00 0.00 N ATOM 0 H LYS A 64 10.479 3.085 -12.369 1.00 0.00 H new ATOM 0 HA LYS A 64 11.167 5.084 -11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.102 6.074 -13.696 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.342 7.076 -12.970 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.951 5.169 -13.947 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.607 4.929 -15.045 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.723 7.587 -15.256 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.367 7.348 -14.700 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.203 5.779 -17.027 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.972 7.338 -17.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.531 5.534 -17.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.999 6.448 -16.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.253 4.938 -16.034 1.00 0.00 H new ATOM 998 N GLN A 65 9.023 4.883 -9.937 1.00 0.00 N ATOM 999 CA GLN A 65 8.178 5.293 -8.822 1.00 0.00 C ATOM 1000 C GLN A 65 9.008 5.515 -7.562 1.00 0.00 C ATOM 1001 O GLN A 65 8.933 6.573 -6.937 1.00 0.00 O ATOM 1002 CB GLN A 65 7.101 4.240 -8.557 1.00 0.00 C ATOM 1003 CG GLN A 65 6.296 3.868 -9.793 1.00 0.00 C ATOM 1004 CD GLN A 65 5.367 4.979 -10.240 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.921 5.794 -9.432 1.00 0.00 O ATOM 1006 NE2 GLN A 65 5.069 5.017 -11.533 1.00 0.00 N ATOM 0 H GLN A 65 9.417 3.947 -9.846 1.00 0.00 H new ATOM 0 HA GLN A 65 7.699 6.235 -9.090 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.573 3.342 -8.157 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.422 4.612 -7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.979 3.621 -10.606 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.711 2.972 -9.585 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.461 4.321 -12.167 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.448 5.742 -11.892 1.00 0.00 H new ATOM 1015 N ILE A 66 9.799 4.512 -7.196 1.00 0.00 N ATOM 1016 CA ILE A 66 10.644 4.600 -6.012 1.00 0.00 C ATOM 1017 C ILE A 66 12.114 4.407 -6.370 1.00 0.00 C ATOM 1018 O ILE A 66 12.450 3.639 -7.272 1.00 0.00 O ATOM 1019 CB ILE A 66 10.243 3.553 -4.956 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.723 3.524 -4.786 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.924 3.851 -3.629 1.00 0.00 C ATOM 1022 CD1 ILE A 66 8.224 2.324 -4.012 1.00 0.00 C ATOM 0 H ILE A 66 9.872 3.630 -7.702 1.00 0.00 H new ATOM 0 HA ILE A 66 10.502 5.597 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 66 10.570 2.571 -5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.405 4.433 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.255 3.531 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.630 3.102 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.006 3.825 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.625 4.839 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.138 2.370 -3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.511 1.410 -4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.663 2.326 -3.014 1.00 0.00 H new ATOM 1034 N LYS A 67 12.988 5.108 -5.656 1.00 0.00 N ATOM 1035 CA LYS A 67 14.423 5.014 -5.894 1.00 0.00 C ATOM 1036 C LYS A 67 15.066 4.001 -4.952 1.00 0.00 C ATOM 1037 O LYS A 67 15.901 3.197 -5.365 1.00 0.00 O ATOM 1038 CB LYS A 67 15.082 6.383 -5.715 1.00 0.00 C ATOM 1039 CG LYS A 67 14.477 7.207 -4.592 1.00 0.00 C ATOM 1040 CD LYS A 67 15.486 8.183 -4.009 1.00 0.00 C ATOM 1041 CE LYS A 67 15.418 9.535 -4.702 1.00 0.00 C ATOM 1042 NZ LYS A 67 16.055 9.502 -6.047 1.00 0.00 N ATOM 0 H LYS A 67 12.727 5.749 -4.906 1.00 0.00 H new ATOM 0 HA LYS A 67 14.574 4.677 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.145 6.242 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.001 6.941 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.613 7.756 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.116 6.543 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.297 8.309 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.491 7.772 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.376 9.840 -4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.912 10.285 -4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.279 10.472 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.930 8.942 -6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.401 9.069 -6.730 1.00 0.00 H new ATOM 1056 N SER A 68 14.670 4.045 -3.684 1.00 0.00 N ATOM 1057 CA SER A 68 15.209 3.133 -2.682 1.00 0.00 C ATOM 1058 C SER A 68 14.222 2.940 -1.535 1.00 0.00 C ATOM 1059 O SER A 68 13.462 3.847 -1.195 1.00 0.00 O ATOM 1060 CB SER A 68 16.538 3.663 -2.142 1.00 0.00 C ATOM 1061 OG SER A 68 17.042 2.826 -1.115 1.00 0.00 O ATOM 0 H SER A 68 13.977 4.703 -3.326 1.00 0.00 H new ATOM 0 HA SER A 68 15.378 2.168 -3.159 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.264 3.727 -2.953 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.401 4.674 -1.757 1.00 0.00 H new ATOM 0 HG SER A 68 17.893 3.186 -0.788 1.00 0.00 H new ATOM 1067 N VAL A 69 14.239 1.751 -0.942 1.00 0.00 N ATOM 1068 CA VAL A 69 13.346 1.437 0.168 1.00 0.00 C ATOM 1069 C VAL A 69 13.462 2.477 1.277 1.00 0.00 C ATOM 1070 O VAL A 69 12.532 2.670 2.060 1.00 0.00 O ATOM 1071 CB VAL A 69 13.645 0.044 0.752 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.222 -1.046 -0.221 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.121 -0.083 1.098 1.00 0.00 C ATOM 0 H VAL A 69 14.861 0.989 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 69 12.331 1.445 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 69 13.068 -0.077 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.441 -2.023 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.152 -0.966 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.769 -0.931 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.314 -1.074 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.719 0.059 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.388 0.674 1.835 1.00 0.00 H new ATOM 1083 N ASP A 70 14.610 3.144 1.338 1.00 0.00 N ATOM 1084 CA ASP A 70 14.848 4.166 2.350 1.00 0.00 C ATOM 1085 C ASP A 70 13.866 5.323 2.195 1.00 0.00 C ATOM 1086 O ASP A 70 13.525 5.995 3.169 1.00 0.00 O ATOM 1087 CB ASP A 70 16.284 4.683 2.256 1.00 0.00 C ATOM 1088 CG ASP A 70 16.629 5.642 3.378 1.00 0.00 C ATOM 1089 OD1 ASP A 70 16.051 6.748 3.413 1.00 0.00 O ATOM 1090 OD2 ASP A 70 17.477 5.285 4.223 1.00 0.00 O ATOM 0 H ASP A 70 15.390 2.995 0.698 1.00 0.00 H new ATOM 0 HA ASP A 70 14.697 3.714 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.973 3.839 2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.425 5.184 1.298 1.00 0.00 H new ATOM 1095 N ASP A 71 13.415 5.550 0.966 1.00 0.00 N ATOM 1096 CA ASP A 71 12.473 6.625 0.684 1.00 0.00 C ATOM 1097 C ASP A 71 11.072 6.261 1.166 1.00 0.00 C ATOM 1098 O ASP A 71 10.236 7.135 1.394 1.00 0.00 O ATOM 1099 CB ASP A 71 12.447 6.929 -0.815 1.00 0.00 C ATOM 1100 CG ASP A 71 13.449 7.997 -1.207 1.00 0.00 C ATOM 1101 OD1 ASP A 71 14.453 8.164 -0.482 1.00 0.00 O ATOM 1102 OD2 ASP A 71 13.231 8.665 -2.239 1.00 0.00 O ATOM 0 H ASP A 71 13.687 5.003 0.149 1.00 0.00 H new ATOM 0 HA ASP A 71 12.803 7.514 1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.657 6.016 -1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.446 7.252 -1.100 1.00 0.00 H new ATOM 1107 N VAL A 72 10.822 4.964 1.317 1.00 0.00 N ATOM 1108 CA VAL A 72 9.523 4.484 1.772 1.00 0.00 C ATOM 1109 C VAL A 72 9.432 4.502 3.294 1.00 0.00 C ATOM 1110 O VAL A 72 10.230 3.863 3.980 1.00 0.00 O ATOM 1111 CB VAL A 72 9.245 3.055 1.269 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.863 2.594 1.705 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.386 2.987 -0.244 1.00 0.00 C ATOM 0 H VAL A 72 11.502 4.227 1.131 1.00 0.00 H new ATOM 0 HA VAL A 72 8.774 5.159 1.358 1.00 0.00 H new ATOM 0 HB VAL A 72 9.981 2.383 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.685 1.582 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.803 2.603 2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.109 3.266 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.186 1.970 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.674 3.670 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.399 3.272 -0.528 1.00 0.00 H new ATOM 1123 N GLU A 73 8.455 5.237 3.815 1.00 0.00 N ATOM 1124 CA GLU A 73 8.260 5.337 5.256 1.00 0.00 C ATOM 1125 C GLU A 73 7.392 4.192 5.769 1.00 0.00 C ATOM 1126 O GLU A 73 6.685 3.543 5.001 1.00 0.00 O ATOM 1127 CB GLU A 73 7.619 6.679 5.614 1.00 0.00 C ATOM 1128 CG GLU A 73 7.606 6.969 7.106 1.00 0.00 C ATOM 1129 CD GLU A 73 7.422 8.443 7.412 1.00 0.00 C ATOM 1130 OE1 GLU A 73 7.870 9.278 6.598 1.00 0.00 O ATOM 1131 OE2 GLU A 73 6.832 8.762 8.465 1.00 0.00 O ATOM 0 H GLU A 73 7.786 5.772 3.261 1.00 0.00 H new ATOM 0 HA GLU A 73 9.237 5.270 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.157 7.477 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.595 6.694 5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.803 6.401 7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.541 6.624 7.548 1.00 0.00 H new ATOM 1138 N GLY A 74 7.451 3.951 7.076 1.00 0.00 N ATOM 1139 CA GLY A 74 6.666 2.885 7.670 1.00 0.00 C ATOM 1140 C GLY A 74 6.818 1.572 6.929 1.00 0.00 C ATOM 1141 O GLY A 74 5.980 0.678 7.058 1.00 0.00 O ATOM 0 H GLY A 74 8.028 4.475 7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.969 2.750 8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.615 3.174 7.680 1.00 0.00 H new ATOM 1145 N ILE A 75 7.888 1.454 6.150 1.00 0.00 N ATOM 1146 CA ILE A 75 8.146 0.240 5.385 1.00 0.00 C ATOM 1147 C ILE A 75 8.686 -0.870 6.281 1.00 0.00 C ATOM 1148 O ILE A 75 8.585 -2.051 5.951 1.00 0.00 O ATOM 1149 CB ILE A 75 9.146 0.496 4.243 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.186 -0.702 3.292 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.532 0.778 4.806 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.005 -0.457 2.044 1.00 0.00 C ATOM 0 H ILE A 75 8.590 2.184 6.032 1.00 0.00 H new ATOM 0 HA ILE A 75 7.193 -0.073 4.958 1.00 0.00 H new ATOM 0 HB ILE A 75 8.817 1.371 3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.595 -1.562 3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.167 -0.960 3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.228 0.957 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.492 1.659 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.870 -0.079 5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.988 -1.349 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.584 0.383 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.034 -0.229 2.323 1.00 0.00 H new ATOM 1164 N GLU A 76 9.260 -0.481 7.415 1.00 0.00 N ATOM 1165 CA GLU A 76 9.815 -1.443 8.359 1.00 0.00 C ATOM 1166 C GLU A 76 8.706 -2.146 9.136 1.00 0.00 C ATOM 1167 O GLU A 76 8.929 -3.189 9.751 1.00 0.00 O ATOM 1168 CB GLU A 76 10.771 -0.746 9.330 1.00 0.00 C ATOM 1169 CG GLU A 76 10.156 0.450 10.036 1.00 0.00 C ATOM 1170 CD GLU A 76 10.786 0.717 11.388 1.00 0.00 C ATOM 1171 OE1 GLU A 76 12.026 0.854 11.449 1.00 0.00 O ATOM 1172 OE2 GLU A 76 10.039 0.790 12.387 1.00 0.00 O ATOM 0 H GLU A 76 9.353 0.493 7.702 1.00 0.00 H new ATOM 0 HA GLU A 76 10.368 -2.192 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.105 -1.466 10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.656 -0.419 8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.266 1.334 9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.087 0.281 10.165 1.00 0.00 H new ATOM 1179 N SER A 77 7.511 -1.566 9.105 1.00 0.00 N ATOM 1180 CA SER A 77 6.367 -2.133 9.809 1.00 0.00 C ATOM 1181 C SER A 77 5.642 -3.153 8.937 1.00 0.00 C ATOM 1182 O SER A 77 4.848 -3.956 9.429 1.00 0.00 O ATOM 1183 CB SER A 77 5.399 -1.025 10.229 1.00 0.00 C ATOM 1184 OG SER A 77 4.187 -1.567 10.723 1.00 0.00 O ATOM 0 H SER A 77 7.310 -0.703 8.600 1.00 0.00 H new ATOM 0 HA SER A 77 6.736 -2.641 10.700 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.863 -0.404 10.996 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.191 -0.377 9.377 1.00 0.00 H new ATOM 0 HG SER A 77 3.586 -0.839 10.986 1.00 0.00 H new ATOM 1190 N LEU A 78 5.921 -3.116 7.639 1.00 0.00 N ATOM 1191 CA LEU A 78 5.297 -4.037 6.695 1.00 0.00 C ATOM 1192 C LEU A 78 5.858 -5.446 6.857 1.00 0.00 C ATOM 1193 O LEU A 78 6.980 -5.627 7.331 1.00 0.00 O ATOM 1194 CB LEU A 78 5.512 -3.552 5.260 1.00 0.00 C ATOM 1195 CG LEU A 78 5.167 -2.087 4.988 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.396 -1.749 3.523 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.728 -1.795 5.386 1.00 0.00 C ATOM 0 H LEU A 78 6.575 -2.458 7.216 1.00 0.00 H new ATOM 0 HA LEU A 78 4.228 -4.065 6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.557 -3.713 4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.915 -4.175 4.594 1.00 0.00 H new ATOM 0 HG LEU A 78 5.824 -1.460 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.145 -0.703 3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.442 -1.919 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.764 -2.383 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.500 -0.748 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.055 -2.430 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.596 -1.998 6.449 1.00 0.00 H new ATOM 1209 N ARG A 79 5.071 -6.440 6.459 1.00 0.00 N ATOM 1210 CA ARG A 79 5.490 -7.833 6.559 1.00 0.00 C ATOM 1211 C ARG A 79 6.694 -8.105 5.661 1.00 0.00 C ATOM 1212 O ARG A 79 6.817 -7.529 4.580 1.00 0.00 O ATOM 1213 CB ARG A 79 4.336 -8.763 6.179 1.00 0.00 C ATOM 1214 CG ARG A 79 3.353 -9.008 7.312 1.00 0.00 C ATOM 1215 CD ARG A 79 4.022 -9.696 8.491 1.00 0.00 C ATOM 1216 NE ARG A 79 3.086 -10.528 9.242 1.00 0.00 N ATOM 1217 CZ ARG A 79 3.426 -11.230 10.317 1.00 0.00 C ATOM 1218 NH1 ARG A 79 4.674 -11.201 10.765 1.00 0.00 N ATOM 1219 NH2 ARG A 79 2.518 -11.964 10.947 1.00 0.00 N ATOM 0 H ARG A 79 4.140 -6.307 6.064 1.00 0.00 H new ATOM 0 HA ARG A 79 5.779 -8.026 7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.801 -8.336 5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.744 -9.719 5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.927 -8.059 7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.527 -9.621 6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.846 -10.312 8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.451 -8.944 9.154 1.00 0.00 H new ATOM 0 HE ARG A 79 2.118 -10.572 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.376 -10.638 10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.932 -11.741 11.591 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.557 -11.990 10.606 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.781 -12.503 11.772 1.00 0.00 H new ATOM 1233 N TRP A 80 7.578 -8.984 6.117 1.00 0.00 N ATOM 1234 CA TRP A 80 8.773 -9.332 5.356 1.00 0.00 C ATOM 1235 C TRP A 80 8.467 -9.394 3.863 1.00 0.00 C ATOM 1236 O TRP A 80 9.055 -8.659 3.070 1.00 0.00 O ATOM 1237 CB TRP A 80 9.333 -10.673 5.831 1.00 0.00 C ATOM 1238 CG TRP A 80 10.269 -11.308 4.847 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.499 -10.848 4.472 1.00 0.00 C ATOM 1240 CD2 TRP A 80 10.048 -12.516 4.112 1.00 0.00 C ATOM 1241 NE1 TRP A 80 12.057 -11.699 3.548 1.00 0.00 N ATOM 1242 CE2 TRP A 80 11.187 -12.730 3.311 1.00 0.00 C ATOM 1243 CE3 TRP A 80 9.001 -13.440 4.053 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.305 -13.828 2.463 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 9.119 -14.529 3.211 1.00 0.00 C ATOM 1246 CH2 TRP A 80 10.265 -14.716 2.425 1.00 0.00 C ATOM 0 H TRP A 80 7.491 -9.469 7.010 1.00 0.00 H new ATOM 0 HA TRP A 80 9.520 -8.556 5.523 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.856 -10.526 6.776 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.506 -11.355 6.027 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.965 -9.948 4.846 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.971 -11.582 3.110 1.00 0.00 H new ATOM 0 HE3 TRP A 80 8.115 -13.305 4.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 12.187 -13.974 1.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.315 -15.248 3.157 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.328 -15.578 1.777 1.00 0.00 H new ATOM 1257 N GLU A 81 7.546 -10.275 3.488 1.00 0.00 N ATOM 1258 CA GLU A 81 7.164 -10.432 2.089 1.00 0.00 C ATOM 1259 C GLU A 81 6.914 -9.075 1.438 1.00 0.00 C ATOM 1260 O GLU A 81 7.310 -8.840 0.296 1.00 0.00 O ATOM 1261 CB GLU A 81 5.912 -11.304 1.974 1.00 0.00 C ATOM 1262 CG GLU A 81 4.615 -10.531 2.141 1.00 0.00 C ATOM 1263 CD GLU A 81 3.389 -11.414 2.013 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.392 -12.312 1.146 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.426 -11.206 2.781 1.00 0.00 O ATOM 0 H GLU A 81 7.050 -10.891 4.132 1.00 0.00 H new ATOM 0 HA GLU A 81 7.987 -10.920 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.910 -11.795 1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.956 -12.090 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.609 -10.046 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.569 -9.740 1.392 1.00 0.00 H new ATOM 1272 N ASP A 82 6.255 -8.186 2.172 1.00 0.00 N ATOM 1273 CA ASP A 82 5.952 -6.852 1.667 1.00 0.00 C ATOM 1274 C ASP A 82 7.229 -6.038 1.482 1.00 0.00 C ATOM 1275 O ASP A 82 7.487 -5.510 0.401 1.00 0.00 O ATOM 1276 CB ASP A 82 5.003 -6.125 2.622 1.00 0.00 C ATOM 1277 CG ASP A 82 3.674 -6.839 2.773 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.674 -8.087 2.828 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.635 -6.150 2.836 1.00 0.00 O ATOM 0 H ASP A 82 5.920 -8.365 3.119 1.00 0.00 H new ATOM 0 HA ASP A 82 5.467 -6.959 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.476 -6.033 3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.829 -5.113 2.256 1.00 0.00 H new ATOM 1284 N GLN A 83 8.022 -5.940 2.544 1.00 0.00 N ATOM 1285 CA GLN A 83 9.270 -5.189 2.498 1.00 0.00 C ATOM 1286 C GLN A 83 10.150 -5.664 1.346 1.00 0.00 C ATOM 1287 O GLN A 83 10.923 -4.890 0.784 1.00 0.00 O ATOM 1288 CB GLN A 83 10.024 -5.329 3.822 1.00 0.00 C ATOM 1289 CG GLN A 83 9.226 -4.860 5.028 1.00 0.00 C ATOM 1290 CD GLN A 83 10.108 -4.510 6.211 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.077 -3.762 6.077 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.777 -5.051 7.377 1.00 0.00 N ATOM 0 H GLN A 83 7.822 -6.371 3.446 1.00 0.00 H new ATOM 0 HA GLN A 83 9.026 -4.139 2.336 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.302 -6.373 3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.951 -4.758 3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.634 -3.988 4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.525 -5.641 5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.965 -5.665 7.442 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.334 -4.852 8.208 1.00 0.00 H new ATOM 1301 N GLN A 84 10.025 -6.942 1.001 1.00 0.00 N ATOM 1302 CA GLN A 84 10.809 -7.520 -0.083 1.00 0.00 C ATOM 1303 C GLN A 84 10.375 -6.954 -1.431 1.00 0.00 C ATOM 1304 O GLN A 84 11.208 -6.647 -2.285 1.00 0.00 O ATOM 1305 CB GLN A 84 10.668 -9.043 -0.087 1.00 0.00 C ATOM 1306 CG GLN A 84 11.124 -9.700 1.206 1.00 0.00 C ATOM 1307 CD GLN A 84 12.595 -10.066 1.188 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.321 -9.655 2.221 1.00 0.00 O flip ATOM 1309 NE2 GLN A 84 13.075 -10.710 0.255 1.00 0.00 N flip ATOM 0 H GLN A 84 9.388 -7.596 1.457 1.00 0.00 H new ATOM 0 HA GLN A 84 11.855 -7.259 0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.625 -9.302 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.247 -9.451 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.932 -9.025 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.532 -10.598 1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.481 -11.006 -0.519 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.067 -10.948 0.256 1.00 0.00 H new ATOM 1318 N LYS A 85 9.067 -6.818 -1.616 1.00 0.00 N ATOM 1319 CA LYS A 85 8.521 -6.288 -2.860 1.00 0.00 C ATOM 1320 C LYS A 85 9.077 -4.897 -3.150 1.00 0.00 C ATOM 1321 O LYS A 85 9.190 -4.493 -4.307 1.00 0.00 O ATOM 1322 CB LYS A 85 6.993 -6.232 -2.787 1.00 0.00 C ATOM 1323 CG LYS A 85 6.346 -7.584 -2.542 1.00 0.00 C ATOM 1324 CD LYS A 85 4.874 -7.443 -2.192 1.00 0.00 C ATOM 1325 CE LYS A 85 4.410 -8.563 -1.274 1.00 0.00 C ATOM 1326 NZ LYS A 85 3.087 -8.264 -0.658 1.00 0.00 N ATOM 0 H LYS A 85 8.364 -7.068 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 85 8.817 -6.955 -3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.701 -5.549 -1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.608 -5.818 -3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.451 -8.205 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.866 -8.096 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.704 -6.481 -1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.279 -7.450 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.345 -9.493 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.149 -8.718 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.806 -9.052 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.154 -7.391 -0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.375 -8.141 -1.406 1.00 0.00 H new ATOM 1340 N ILE A 86 9.424 -4.172 -2.092 1.00 0.00 N ATOM 1341 CA ILE A 86 9.972 -2.828 -2.234 1.00 0.00 C ATOM 1342 C ILE A 86 11.428 -2.873 -2.683 1.00 0.00 C ATOM 1343 O ILE A 86 11.763 -2.434 -3.784 1.00 0.00 O ATOM 1344 CB ILE A 86 9.877 -2.040 -0.915 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.492 -2.216 -0.288 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.171 -0.567 -1.156 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.385 -1.543 -1.069 1.00 0.00 C ATOM 0 H ILE A 86 9.336 -4.492 -1.128 1.00 0.00 H new ATOM 0 HA ILE A 86 9.376 -2.322 -2.994 1.00 0.00 H new ATOM 0 HB ILE A 86 10.621 -2.431 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.272 -3.280 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.507 -1.814 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.100 -0.023 -0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.176 -0.458 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.448 -0.163 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.432 -1.709 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.581 -0.473 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.343 -1.962 -2.075 1.00 0.00 H new ATOM 1359 N ARG A 87 12.290 -3.408 -1.825 1.00 0.00 N ATOM 1360 CA ARG A 87 13.712 -3.511 -2.134 1.00 0.00 C ATOM 1361 C ARG A 87 13.930 -4.247 -3.452 1.00 0.00 C ATOM 1362 O ARG A 87 14.822 -3.903 -4.228 1.00 0.00 O ATOM 1363 CB ARG A 87 14.449 -4.234 -1.005 1.00 0.00 C ATOM 1364 CG ARG A 87 14.048 -5.692 -0.851 1.00 0.00 C ATOM 1365 CD ARG A 87 14.233 -6.172 0.579 1.00 0.00 C ATOM 1366 NE ARG A 87 14.551 -7.596 0.642 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.751 -8.094 0.364 1.00 0.00 C ATOM 1368 NH1 ARG A 87 16.741 -7.287 0.008 1.00 0.00 N ATOM 1369 NH2 ARG A 87 15.963 -9.401 0.444 1.00 0.00 N ATOM 0 H ARG A 87 12.029 -3.777 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 87 14.112 -2.502 -2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.522 -4.179 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.259 -3.713 -0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.006 -5.817 -1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.646 -6.308 -1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.032 -5.601 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.323 -5.978 1.147 1.00 0.00 H new ATOM 0 HE ARG A 87 13.811 -8.244 0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.582 -6.281 -0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.661 -7.672 -0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.204 -10.025 0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.885 -9.782 0.230 1.00 0.00 H new ATOM 1383 N LYS A 88 13.109 -5.262 -3.700 1.00 0.00 N ATOM 1384 CA LYS A 88 13.211 -6.048 -4.924 1.00 0.00 C ATOM 1385 C LYS A 88 12.659 -5.272 -6.116 1.00 0.00 C ATOM 1386 O LYS A 88 12.615 -5.783 -7.235 1.00 0.00 O ATOM 1387 CB LYS A 88 12.456 -7.370 -4.770 1.00 0.00 C ATOM 1388 CG LYS A 88 12.902 -8.189 -3.571 1.00 0.00 C ATOM 1389 CD LYS A 88 14.005 -9.167 -3.942 1.00 0.00 C ATOM 1390 CE LYS A 88 13.442 -10.535 -4.292 1.00 0.00 C ATOM 1391 NZ LYS A 88 13.168 -10.667 -5.750 1.00 0.00 N ATOM 0 H LYS A 88 12.365 -5.560 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 88 14.265 -6.257 -5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.390 -7.162 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.590 -7.963 -5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.255 -7.522 -2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.051 -8.736 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.569 -8.777 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.704 -9.262 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.147 -11.307 -3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.521 -10.702 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.981 -11.664 -5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.338 -10.093 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.993 -10.336 -6.290 1.00 0.00 H new ATOM 1405 N TYR A 89 12.241 -4.036 -5.868 1.00 0.00 N ATOM 1406 CA TYR A 89 11.692 -3.190 -6.921 1.00 0.00 C ATOM 1407 C TYR A 89 12.617 -2.011 -7.211 1.00 0.00 C ATOM 1408 O TYR A 89 12.843 -1.655 -8.368 1.00 0.00 O ATOM 1409 CB TYR A 89 10.306 -2.678 -6.523 1.00 0.00 C ATOM 1410 CG TYR A 89 9.855 -1.472 -7.315 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.286 -1.617 -8.574 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.998 -0.188 -6.804 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.873 -0.517 -9.302 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.587 0.917 -7.524 1.00 0.00 C ATOM 1415 CZ TYR A 89 9.025 0.747 -8.773 1.00 0.00 C ATOM 1416 OH TYR A 89 8.615 1.845 -9.493 1.00 0.00 O ATOM 0 H TYR A 89 12.272 -3.598 -4.947 1.00 0.00 H new ATOM 0 HA TYR A 89 11.604 -3.792 -7.826 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.580 -3.480 -6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.312 -2.424 -5.463 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.164 -2.606 -8.991 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.438 -0.051 -5.827 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.434 -0.647 -10.280 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.705 1.908 -7.112 1.00 0.00 H new ATOM 0 HH TYR A 89 7.861 1.597 -10.067 1.00 0.00 H new ATOM 1426 N VAL A 90 13.150 -1.411 -6.152 1.00 0.00 N ATOM 1427 CA VAL A 90 14.052 -0.274 -6.291 1.00 0.00 C ATOM 1428 C VAL A 90 15.414 -0.715 -6.816 1.00 0.00 C ATOM 1429 O VAL A 90 16.096 0.040 -7.508 1.00 0.00 O ATOM 1430 CB VAL A 90 14.244 0.457 -4.949 1.00 0.00 C ATOM 1431 CG1 VAL A 90 13.041 1.337 -4.644 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.483 -0.542 -3.827 1.00 0.00 C ATOM 0 H VAL A 90 12.973 -1.693 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 90 13.593 0.409 -7.006 1.00 0.00 H new ATOM 0 HB VAL A 90 15.122 1.098 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.194 1.846 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.921 2.077 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.144 0.720 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.617 -0.008 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.626 -1.210 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.378 -1.125 -4.043 1.00 0.00 H new ATOM 1442 N GLU A 91 15.803 -1.941 -6.483 1.00 0.00 N ATOM 1443 CA GLU A 91 17.084 -2.482 -6.921 1.00 0.00 C ATOM 1444 C GLU A 91 17.045 -2.841 -8.403 1.00 0.00 C ATOM 1445 O GLU A 91 17.915 -2.438 -9.174 1.00 0.00 O ATOM 1446 CB GLU A 91 17.452 -3.716 -6.095 1.00 0.00 C ATOM 1447 CG GLU A 91 17.686 -3.417 -4.624 1.00 0.00 C ATOM 1448 CD GLU A 91 19.082 -2.894 -4.350 1.00 0.00 C ATOM 1449 OE1 GLU A 91 20.019 -3.294 -5.073 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.238 -2.083 -3.412 1.00 0.00 O ATOM 0 H GLU A 91 15.249 -2.579 -5.911 1.00 0.00 H new ATOM 0 HA GLU A 91 17.843 -1.714 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.655 -4.454 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.352 -4.167 -6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.954 -2.683 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.521 -4.324 -4.042 1.00 0.00 H new