USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 762 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 28 THR OG1 : rot 110:sc= 0.00331 USER MOD Set 1.2: A 55 GLN : amide:sc= -0.0219 X(o=-0.019,f=-0.17) USER MOD Set 2.1: A 12 GLN : amide:sc= -0.203 X(o=-0.24,f=-0.66) USER MOD Set 2.2: A 16 SER OG : rot 180:sc= -0.0335 USER MOD Single : A 8 HIS : no HD1:sc= -2.1! C(o=-2.1!,f=-1.9!) USER MOD Single : A 10 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.025) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 1.11 K(o=1.1,f=-0.18) USER MOD Single : A 23 THR OG1 : rot 83:sc= 0.212 USER MOD Single : A 24 HIS : no HE2:sc= -5.78! C(o=-5.8!,f=-8.9!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.116 K(o=-0.12,f=-2.4!) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0434 X(o=-0.043,f=-0.16) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.99 K(o=-2,f=-3.6!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 79:sc= 0.0113 USER MOD Single : A 52 CYS SG : rot 95:sc= -3.28 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.66 K(o=-2.7,f=-9.1!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.14) USER MOD Single : A 74 SER OG : rot -78:sc= -0.517 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.91 K(o=-0.91,f=-2.8!) USER MOD Single : A 83 GLN : amide:sc= -0.439 K(o=-0.44,f=-1.1) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0559 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -7.709 11.373 9.210 1.00 0.00 N ATOM 69 CA HIS A 8 -7.022 10.630 8.159 1.00 0.00 C ATOM 70 C HIS A 8 -7.987 9.695 7.434 1.00 0.00 C ATOM 71 O HIS A 8 -7.998 8.488 7.677 1.00 0.00 O ATOM 72 CB HIS A 8 -5.861 9.826 8.748 1.00 0.00 C ATOM 73 CG HIS A 8 -5.032 10.598 9.728 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.890 10.253 11.053 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.291 11.721 9.552 1.00 0.00 C ATOM 76 CE1 HIS A 8 -4.087 11.157 11.630 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.695 12.069 10.761 1.00 0.00 N ATOM 0 HA HIS A 8 -6.629 11.348 7.439 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.258 8.938 9.241 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.221 9.481 7.936 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.181 12.259 8.622 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.798 11.141 12.671 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.082 12.865 10.938 1.00 0.00 H new ATOM 85 N PRO A 9 -8.816 10.244 6.528 1.00 0.00 N ATOM 86 CA PRO A 9 -9.789 9.454 5.767 1.00 0.00 C ATOM 87 C PRO A 9 -9.139 8.299 5.011 1.00 0.00 C ATOM 88 O PRO A 9 -9.795 7.306 4.693 1.00 0.00 O ATOM 89 CB PRO A 9 -10.385 10.465 4.783 1.00 0.00 C ATOM 90 CG PRO A 9 -10.160 11.794 5.418 1.00 0.00 C ATOM 91 CD PRO A 9 -8.870 11.675 6.178 1.00 0.00 C ATOM 0 HA PRO A 9 -10.527 8.988 6.420 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.898 10.404 3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.447 10.279 4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.099 12.581 4.666 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.983 12.053 6.084 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.016 11.973 5.570 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.866 12.307 7.066 1.00 0.00 H new ATOM 99 N HIS A 10 -7.848 8.435 4.723 1.00 0.00 N ATOM 100 CA HIS A 10 -7.115 7.402 4.001 1.00 0.00 C ATOM 101 C HIS A 10 -6.470 6.408 4.963 1.00 0.00 C ATOM 102 O HIS A 10 -6.502 5.200 4.736 1.00 0.00 O ATOM 103 CB HIS A 10 -6.042 8.036 3.113 1.00 0.00 C ATOM 104 CG HIS A 10 -6.600 8.885 2.014 1.00 0.00 C ATOM 105 ND1 HIS A 10 -6.551 10.260 2.005 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.230 8.525 0.866 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.139 10.686 0.878 1.00 0.00 C ATOM 108 NE2 HIS A 10 -7.568 9.672 0.152 1.00 0.00 N ATOM 0 H HIS A 10 -7.289 9.249 4.978 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.826 6.862 3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.383 8.644 3.732 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.430 7.247 2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.436 7.511 0.556 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.247 11.724 0.601 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.048 9.718 -0.747 1.00 0.00 H new ATOM 116 N ILE A 11 -5.885 6.926 6.039 1.00 0.00 N ATOM 117 CA ILE A 11 -5.232 6.081 7.033 1.00 0.00 C ATOM 118 C ILE A 11 -6.254 5.280 7.832 1.00 0.00 C ATOM 119 O ILE A 11 -6.021 4.119 8.168 1.00 0.00 O ATOM 120 CB ILE A 11 -4.376 6.914 8.006 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.464 7.869 7.233 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.555 6.000 8.904 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.594 8.728 8.123 1.00 0.00 C ATOM 0 H ILE A 11 -5.850 7.924 6.244 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.584 5.396 6.486 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.041 7.507 8.633 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.826 7.289 6.566 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.077 8.515 6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.955 6.603 9.586 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.223 5.359 9.479 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.898 5.383 8.292 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.974 9.380 7.507 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.225 9.335 8.772 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.954 8.089 8.732 1.00 0.00 H new ATOM 135 N GLN A 12 -7.386 5.907 8.135 1.00 0.00 N ATOM 136 CA GLN A 12 -8.443 5.251 8.896 1.00 0.00 C ATOM 137 C GLN A 12 -9.023 4.072 8.120 1.00 0.00 C ATOM 138 O GLN A 12 -9.399 3.057 8.704 1.00 0.00 O ATOM 139 CB GLN A 12 -9.551 6.249 9.236 1.00 0.00 C ATOM 140 CG GLN A 12 -10.116 6.077 10.636 1.00 0.00 C ATOM 141 CD GLN A 12 -11.384 5.244 10.655 1.00 0.00 C ATOM 142 OE1 GLN A 12 -12.223 5.351 9.761 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.528 4.408 11.677 1.00 0.00 N ATOM 0 H GLN A 12 -7.595 6.868 7.865 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.008 4.873 9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.161 7.261 9.133 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.359 6.143 8.512 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.366 5.605 11.271 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.324 7.058 11.063 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.807 4.352 12.396 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.360 3.822 11.743 1.00 0.00 H new ATOM 152 N LEU A 13 -9.092 4.217 6.800 1.00 0.00 N ATOM 153 CA LEU A 13 -9.627 3.163 5.944 1.00 0.00 C ATOM 154 C LEU A 13 -8.751 1.916 6.004 1.00 0.00 C ATOM 155 O LEU A 13 -9.241 0.794 5.870 1.00 0.00 O ATOM 156 CB LEU A 13 -9.735 3.656 4.500 1.00 0.00 C ATOM 157 CG LEU A 13 -10.986 4.479 4.188 1.00 0.00 C ATOM 158 CD1 LEU A 13 -11.025 4.853 2.715 1.00 0.00 C ATOM 159 CD2 LEU A 13 -12.239 3.708 4.577 1.00 0.00 C ATOM 0 H LEU A 13 -8.785 5.052 6.301 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.621 2.904 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.856 4.259 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.711 2.793 3.835 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.950 5.398 4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.922 5.438 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.143 5.443 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.038 3.947 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.120 4.307 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.280 2.774 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.215 3.490 5.645 1.00 0.00 H new ATOM 171 N LEU A 14 -7.453 2.119 6.204 1.00 0.00 N ATOM 172 CA LEU A 14 -6.509 1.011 6.279 1.00 0.00 C ATOM 173 C LEU A 14 -6.603 0.306 7.629 1.00 0.00 C ATOM 174 O LEU A 14 -6.554 -0.922 7.705 1.00 0.00 O ATOM 175 CB LEU A 14 -5.082 1.513 6.052 1.00 0.00 C ATOM 176 CG LEU A 14 -4.803 2.055 4.650 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.605 2.990 4.667 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.575 0.911 3.674 1.00 0.00 C ATOM 0 H LEU A 14 -7.031 3.041 6.317 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.764 0.296 5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.869 2.298 6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.389 0.696 6.254 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.674 2.621 4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.422 3.365 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.806 3.827 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.726 2.449 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.378 1.314 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.721 0.318 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.463 0.280 3.640 1.00 0.00 H new ATOM 190 N LYS A 15 -6.740 1.091 8.693 1.00 0.00 N ATOM 191 CA LYS A 15 -6.842 0.542 10.040 1.00 0.00 C ATOM 192 C LYS A 15 -8.188 -0.146 10.249 1.00 0.00 C ATOM 193 O LYS A 15 -8.254 -1.252 10.786 1.00 0.00 O ATOM 194 CB LYS A 15 -6.656 1.650 11.079 1.00 0.00 C ATOM 195 CG LYS A 15 -5.433 2.516 10.831 1.00 0.00 C ATOM 196 CD LYS A 15 -5.607 3.908 11.417 1.00 0.00 C ATOM 197 CE LYS A 15 -4.269 4.608 11.596 1.00 0.00 C ATOM 198 NZ LYS A 15 -3.753 4.472 12.986 1.00 0.00 N ATOM 0 H LYS A 15 -6.783 2.109 8.648 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.053 -0.200 10.163 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.544 2.283 11.086 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.577 1.200 12.068 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.555 2.042 11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.251 2.592 9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.245 4.502 10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.114 3.838 12.379 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.544 4.190 10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.376 5.665 11.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.840 4.963 13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.432 4.893 13.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.626 3.465 13.212 1.00 0.00 H new ATOM 212 N SER A 16 -9.258 0.516 9.822 1.00 0.00 N ATOM 213 CA SER A 16 -10.602 -0.032 9.963 1.00 0.00 C ATOM 214 C SER A 16 -10.729 -1.362 9.227 1.00 0.00 C ATOM 215 O SER A 16 -11.219 -2.345 9.781 1.00 0.00 O ATOM 216 CB SER A 16 -11.638 0.960 9.431 1.00 0.00 C ATOM 217 OG SER A 16 -12.073 1.840 10.453 1.00 0.00 O ATOM 0 H SER A 16 -9.221 1.432 9.376 1.00 0.00 H new ATOM 0 HA SER A 16 -10.786 -0.206 11.023 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.208 1.535 8.611 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.492 0.417 9.027 1.00 0.00 H new ATOM 0 HG SER A 16 -12.733 2.465 10.087 1.00 0.00 H new ATOM 223 N ASN A 17 -10.284 -1.384 7.974 1.00 0.00 N ATOM 224 CA ASN A 17 -10.350 -2.594 7.162 1.00 0.00 C ATOM 225 C ASN A 17 -8.993 -3.290 7.112 1.00 0.00 C ATOM 226 O ASN A 17 -8.648 -3.929 6.119 1.00 0.00 O ATOM 227 CB ASN A 17 -10.814 -2.255 5.744 1.00 0.00 C ATOM 228 CG ASN A 17 -12.065 -1.400 5.734 1.00 0.00 C ATOM 229 OD1 ASN A 17 -13.182 -1.914 5.672 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.885 -0.087 5.794 1.00 0.00 N ATOM 0 H ASN A 17 -9.875 -0.579 7.500 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.069 -3.272 7.621 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.015 -1.731 5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.004 -3.178 5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.690 0.539 5.790 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.941 0.297 5.844 1.00 0.00 H new ATOM 237 N ARG A 18 -8.228 -3.161 8.191 1.00 0.00 N ATOM 238 CA ARG A 18 -6.909 -3.779 8.269 1.00 0.00 C ATOM 239 C ARG A 18 -7.020 -5.300 8.298 1.00 0.00 C ATOM 240 O ARG A 18 -6.134 -6.005 7.815 1.00 0.00 O ATOM 241 CB ARG A 18 -6.167 -3.287 9.513 1.00 0.00 C ATOM 242 CG ARG A 18 -4.743 -3.812 9.619 1.00 0.00 C ATOM 243 CD ARG A 18 -4.186 -3.633 11.021 1.00 0.00 C ATOM 244 NE ARG A 18 -3.275 -2.494 11.107 1.00 0.00 N ATOM 245 CZ ARG A 18 -2.887 -1.940 12.255 1.00 0.00 C ATOM 246 NH1 ARG A 18 -3.329 -2.416 13.412 1.00 0.00 N ATOM 247 NH2 ARG A 18 -2.055 -0.907 12.243 1.00 0.00 N ATOM 0 H ARG A 18 -8.498 -2.635 9.022 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.347 -3.491 7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.144 -2.197 9.505 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.723 -3.588 10.401 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.723 -4.868 9.351 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.107 -3.289 8.904 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.008 -3.493 11.723 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.662 -4.540 11.321 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.915 -2.100 10.238 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.969 -3.210 13.426 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.029 -1.988 14.288 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.713 -0.538 11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.757 -0.482 13.121 1.00 0.00 H new ATOM 261 N GLU A 19 -8.112 -5.799 8.867 1.00 0.00 N ATOM 262 CA GLU A 19 -8.337 -7.237 8.959 1.00 0.00 C ATOM 263 C GLU A 19 -8.898 -7.787 7.652 1.00 0.00 C ATOM 264 O GLU A 19 -8.658 -8.942 7.300 1.00 0.00 O ATOM 265 CB GLU A 19 -9.295 -7.550 10.109 1.00 0.00 C ATOM 266 CG GLU A 19 -8.595 -7.765 11.441 1.00 0.00 C ATOM 267 CD GLU A 19 -8.487 -9.231 11.814 1.00 0.00 C ATOM 268 OE1 GLU A 19 -9.453 -9.768 12.395 1.00 0.00 O ATOM 269 OE2 GLU A 19 -7.437 -9.842 11.524 1.00 0.00 O ATOM 0 H GLU A 19 -8.855 -5.229 9.271 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.378 -7.717 9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.008 -6.732 10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.868 -8.443 9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.596 -7.331 11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.139 -7.234 12.223 1.00 0.00 H new ATOM 276 N LEU A 20 -9.647 -6.954 6.936 1.00 0.00 N ATOM 277 CA LEU A 20 -10.242 -7.359 5.667 1.00 0.00 C ATOM 278 C LEU A 20 -9.218 -7.302 4.539 1.00 0.00 C ATOM 279 O LEU A 20 -9.219 -8.146 3.643 1.00 0.00 O ATOM 280 CB LEU A 20 -11.437 -6.464 5.332 1.00 0.00 C ATOM 281 CG LEU A 20 -12.247 -6.895 4.109 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.357 -7.853 4.515 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.822 -5.681 3.395 1.00 0.00 C ATOM 0 H LEU A 20 -9.856 -5.995 7.213 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.584 -8.389 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -12.101 -6.433 6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -11.076 -5.448 5.170 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.581 -7.414 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.923 -8.149 3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.922 -8.737 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.022 -7.360 5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.395 -6.007 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.474 -5.133 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.009 -5.031 3.070 1.00 0.00 H new ATOM 295 N LEU A 21 -8.344 -6.301 4.589 1.00 0.00 N ATOM 296 CA LEU A 21 -7.314 -6.134 3.570 1.00 0.00 C ATOM 297 C LEU A 21 -6.337 -7.305 3.582 1.00 0.00 C ATOM 298 O LEU A 21 -5.798 -7.687 2.543 1.00 0.00 O ATOM 299 CB LEU A 21 -6.558 -4.822 3.790 1.00 0.00 C ATOM 300 CG LEU A 21 -7.310 -3.560 3.360 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.431 -2.331 3.535 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.778 -3.684 1.917 1.00 0.00 C ATOM 0 H LEU A 21 -8.329 -5.594 5.324 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.804 -6.106 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.311 -4.736 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.615 -4.868 3.245 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.188 -3.447 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.981 -1.443 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.146 -2.234 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.535 -2.435 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.311 -2.778 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.915 -3.821 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.444 -4.542 1.823 1.00 0.00 H new ATOM 314 N VAL A 22 -6.113 -7.871 4.763 1.00 0.00 N ATOM 315 CA VAL A 22 -5.201 -8.998 4.910 1.00 0.00 C ATOM 316 C VAL A 22 -5.811 -10.281 4.355 1.00 0.00 C ATOM 317 O VAL A 22 -5.093 -11.208 3.979 1.00 0.00 O ATOM 318 CB VAL A 22 -4.816 -9.222 6.386 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.749 -10.300 6.505 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.341 -7.921 7.018 1.00 0.00 C ATOM 0 H VAL A 22 -6.551 -7.567 5.633 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.304 -8.752 4.341 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.702 -9.560 6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.491 -10.443 7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.129 -11.235 6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.861 -9.995 5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.074 -8.099 8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.470 -7.551 6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.139 -7.180 6.970 1.00 0.00 H new ATOM 330 N THR A 23 -7.139 -10.332 4.307 1.00 0.00 N ATOM 331 CA THR A 23 -7.841 -11.505 3.800 1.00 0.00 C ATOM 332 C THR A 23 -8.130 -11.370 2.307 1.00 0.00 C ATOM 333 O THR A 23 -8.206 -12.365 1.588 1.00 0.00 O ATOM 334 CB THR A 23 -9.148 -11.713 4.566 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.911 -11.756 5.961 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.870 -12.987 4.183 1.00 0.00 C ATOM 0 H THR A 23 -7.750 -9.575 4.613 1.00 0.00 H new ATOM 0 HA THR A 23 -7.197 -12.372 3.948 1.00 0.00 H new ATOM 0 HB THR A 23 -9.777 -10.864 4.299 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.858 -10.843 6.312 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.789 -13.073 4.763 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.113 -12.962 3.121 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.229 -13.844 4.389 1.00 0.00 H new ATOM 344 N HIS A 24 -8.291 -10.132 1.849 1.00 0.00 N ATOM 345 CA HIS A 24 -8.575 -9.871 0.442 1.00 0.00 C ATOM 346 C HIS A 24 -7.286 -9.765 -0.366 1.00 0.00 C ATOM 347 O HIS A 24 -7.124 -10.438 -1.384 1.00 0.00 O ATOM 348 CB HIS A 24 -9.389 -8.585 0.296 1.00 0.00 C ATOM 349 CG HIS A 24 -10.753 -8.668 0.908 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.204 -9.748 1.634 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.775 -7.775 0.891 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.457 -9.486 2.026 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.851 -8.299 1.603 1.00 0.00 N ATOM 0 H HIS A 24 -8.230 -9.296 2.430 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.156 -10.708 0.054 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.842 -7.764 0.758 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.489 -8.346 -0.763 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -10.677 -10.597 1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.757 -6.812 0.403 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.066 -10.158 2.612 1.00 0.00 H new ATOM 361 N ILE A 25 -6.373 -8.915 0.090 1.00 0.00 N ATOM 362 CA ILE A 25 -5.099 -8.723 -0.594 1.00 0.00 C ATOM 363 C ILE A 25 -4.240 -9.981 -0.521 1.00 0.00 C ATOM 364 O ILE A 25 -4.220 -10.674 0.495 1.00 0.00 O ATOM 365 CB ILE A 25 -4.312 -7.538 -0.001 1.00 0.00 C ATOM 366 CG1 ILE A 25 -5.194 -6.290 0.066 1.00 0.00 C ATOM 367 CG2 ILE A 25 -3.063 -7.266 -0.825 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.500 -5.090 0.674 1.00 0.00 C ATOM 0 H ILE A 25 -6.491 -8.348 0.930 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.331 -8.506 -1.637 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.007 -7.797 1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.526 -6.036 -0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.087 -6.517 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.518 -6.426 -0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.426 -8.151 -0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.348 -7.026 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.185 -4.242 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.192 -5.325 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.623 -4.837 0.079 1.00 0.00 H new ATOM 380 N ARG A 26 -3.528 -10.267 -1.607 1.00 0.00 N ATOM 381 CA ARG A 26 -2.664 -11.440 -1.670 1.00 0.00 C ATOM 382 C ARG A 26 -1.277 -11.065 -2.181 1.00 0.00 C ATOM 383 O ARG A 26 -0.264 -11.473 -1.614 1.00 0.00 O ATOM 384 CB ARG A 26 -3.283 -12.508 -2.575 1.00 0.00 C ATOM 385 CG ARG A 26 -2.447 -13.774 -2.682 1.00 0.00 C ATOM 386 CD ARG A 26 -3.313 -14.988 -2.977 1.00 0.00 C ATOM 387 NE ARG A 26 -2.513 -16.166 -3.303 1.00 0.00 N ATOM 388 CZ ARG A 26 -1.832 -16.871 -2.402 1.00 0.00 C ATOM 389 NH1 ARG A 26 -1.850 -16.520 -1.123 1.00 0.00 N ATOM 390 NH2 ARG A 26 -1.132 -17.930 -2.783 1.00 0.00 N ATOM 0 H ARG A 26 -3.533 -9.702 -2.456 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.564 -11.842 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.271 -12.766 -2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.424 -12.090 -3.572 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.704 -13.655 -3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.902 -13.932 -1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.941 -15.204 -2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.982 -14.763 -3.808 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.474 -16.466 -4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.388 -15.706 -0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.326 -17.064 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.115 -18.204 -3.765 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.610 -18.471 -2.094 1.00 0.00 H new ATOM 404 N ASN A 27 -1.240 -10.284 -3.256 1.00 0.00 N ATOM 405 CA ASN A 27 0.023 -9.853 -3.845 1.00 0.00 C ATOM 406 C ASN A 27 0.601 -8.666 -3.081 1.00 0.00 C ATOM 407 O ASN A 27 0.020 -7.581 -3.068 1.00 0.00 O ATOM 408 CB ASN A 27 -0.176 -9.480 -5.315 1.00 0.00 C ATOM 409 CG ASN A 27 -0.315 -10.697 -6.207 1.00 0.00 C ATOM 410 OD1 ASN A 27 0.676 -11.238 -6.698 1.00 0.00 O ATOM 411 ND2 ASN A 27 -1.550 -11.136 -6.422 1.00 0.00 N ATOM 0 H ASN A 27 -2.070 -9.937 -3.737 1.00 0.00 H new ATOM 0 HA ASN A 27 0.727 -10.682 -3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.066 -8.859 -5.412 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.669 -8.880 -5.652 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.705 -11.952 -7.014 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.343 -10.657 -5.995 1.00 0.00 H new ATOM 418 N THR A 28 1.747 -8.880 -2.444 1.00 0.00 N ATOM 419 CA THR A 28 2.404 -7.827 -1.677 1.00 0.00 C ATOM 420 C THR A 28 3.628 -7.297 -2.415 1.00 0.00 C ATOM 421 O THR A 28 3.953 -6.113 -2.329 1.00 0.00 O ATOM 422 CB THR A 28 2.811 -8.350 -0.299 1.00 0.00 C ATOM 423 OG1 THR A 28 3.426 -9.622 -0.407 1.00 0.00 O ATOM 424 CG2 THR A 28 1.647 -8.483 0.659 1.00 0.00 C ATOM 0 H THR A 28 2.240 -9.773 -2.443 1.00 0.00 H new ATOM 0 HA THR A 28 1.696 -7.008 -1.553 1.00 0.00 H new ATOM 0 HB THR A 28 3.504 -7.608 0.098 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.381 -9.542 -0.204 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.006 -8.859 1.617 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.181 -7.508 0.803 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.915 -9.178 0.248 1.00 0.00 H new ATOM 432 N GLN A 29 4.305 -8.181 -3.140 1.00 0.00 N ATOM 433 CA GLN A 29 5.496 -7.802 -3.893 1.00 0.00 C ATOM 434 C GLN A 29 5.169 -6.721 -4.920 1.00 0.00 C ATOM 435 O GLN A 29 5.960 -5.805 -5.145 1.00 0.00 O ATOM 436 CB GLN A 29 6.096 -9.026 -4.589 1.00 0.00 C ATOM 437 CG GLN A 29 7.504 -9.360 -4.126 1.00 0.00 C ATOM 438 CD GLN A 29 8.569 -8.670 -4.956 1.00 0.00 C ATOM 439 OE1 GLN A 29 8.286 -8.125 -6.023 1.00 0.00 O ATOM 440 NE2 GLN A 29 9.804 -8.691 -4.469 1.00 0.00 N ATOM 0 H GLN A 29 4.050 -9.165 -3.222 1.00 0.00 H new ATOM 0 HA GLN A 29 6.228 -7.399 -3.192 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.451 -9.887 -4.412 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.108 -8.852 -5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.618 -9.070 -3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.652 -10.439 -4.175 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.994 -9.154 -3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.563 -8.244 -4.983 1.00 0.00 H new ATOM 449 N CYS A 30 3.999 -6.836 -5.540 1.00 0.00 N ATOM 450 CA CYS A 30 3.568 -5.869 -6.543 1.00 0.00 C ATOM 451 C CYS A 30 3.394 -4.485 -5.926 1.00 0.00 C ATOM 452 O CYS A 30 3.770 -3.476 -6.524 1.00 0.00 O ATOM 453 CB CYS A 30 2.257 -6.321 -7.188 1.00 0.00 C ATOM 454 SG CYS A 30 2.332 -7.964 -7.939 1.00 0.00 S ATOM 0 H CYS A 30 3.333 -7.589 -5.366 1.00 0.00 H new ATOM 0 HA CYS A 30 4.341 -5.810 -7.310 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.471 -6.314 -6.432 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.971 -5.597 -7.951 1.00 0.00 H new ATOM 0 HG CYS A 30 1.176 -8.258 -8.456 1.00 0.00 H new ATOM 460 N LEU A 31 2.823 -4.445 -4.727 1.00 0.00 N ATOM 461 CA LEU A 31 2.599 -3.185 -4.028 1.00 0.00 C ATOM 462 C LEU A 31 3.923 -2.496 -3.711 1.00 0.00 C ATOM 463 O LEU A 31 4.002 -1.268 -3.678 1.00 0.00 O ATOM 464 CB LEU A 31 1.814 -3.426 -2.738 1.00 0.00 C ATOM 465 CG LEU A 31 0.292 -3.437 -2.898 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.359 -4.178 -1.741 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.243 -2.017 -2.994 1.00 0.00 C ATOM 0 H LEU A 31 2.507 -5.271 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 31 2.019 -2.534 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.126 -4.380 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.083 -2.653 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 31 0.045 -3.960 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.441 -4.176 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.002 -5.206 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.105 -3.684 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.327 -2.043 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.014 -1.469 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.200 -1.519 -3.856 1.00 0.00 H new ATOM 479 N VAL A 32 4.959 -3.295 -3.478 1.00 0.00 N ATOM 480 CA VAL A 32 6.279 -2.762 -3.163 1.00 0.00 C ATOM 481 C VAL A 32 7.021 -2.348 -4.430 1.00 0.00 C ATOM 482 O VAL A 32 7.695 -1.318 -4.458 1.00 0.00 O ATOM 483 CB VAL A 32 7.131 -3.789 -2.396 1.00 0.00 C ATOM 484 CG1 VAL A 32 8.423 -3.153 -1.905 1.00 0.00 C ATOM 485 CG2 VAL A 32 6.342 -4.377 -1.235 1.00 0.00 C ATOM 0 H VAL A 32 4.910 -4.314 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 32 6.124 -1.886 -2.533 1.00 0.00 H new ATOM 0 HB VAL A 32 7.389 -4.600 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.012 -3.895 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.995 -2.786 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.189 -2.321 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.960 -5.101 -0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.051 -3.579 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.449 -4.873 -1.616 1.00 0.00 H new ATOM 495 N ASP A 33 6.893 -3.158 -5.476 1.00 0.00 N ATOM 496 CA ASP A 33 7.552 -2.877 -6.746 1.00 0.00 C ATOM 497 C ASP A 33 7.081 -1.544 -7.319 1.00 0.00 C ATOM 498 O ASP A 33 7.865 -0.798 -7.907 1.00 0.00 O ATOM 499 CB ASP A 33 7.278 -4.001 -7.746 1.00 0.00 C ATOM 500 CG ASP A 33 8.335 -4.078 -8.831 1.00 0.00 C ATOM 501 OD1 ASP A 33 9.452 -3.564 -8.610 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.045 -4.653 -9.901 1.00 0.00 O ATOM 0 H ASP A 33 6.339 -4.014 -5.469 1.00 0.00 H new ATOM 0 HA ASP A 33 8.625 -2.815 -6.565 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.235 -4.953 -7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.301 -3.846 -8.204 1.00 0.00 H new ATOM 507 N ASN A 34 5.797 -1.250 -7.143 1.00 0.00 N ATOM 508 CA ASN A 34 5.222 -0.008 -7.643 1.00 0.00 C ATOM 509 C ASN A 34 5.592 1.166 -6.741 1.00 0.00 C ATOM 510 O ASN A 34 5.803 2.282 -7.213 1.00 0.00 O ATOM 511 CB ASN A 34 3.700 -0.129 -7.744 1.00 0.00 C ATOM 512 CG ASN A 34 3.266 -1.027 -8.884 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.703 -0.860 -10.024 1.00 0.00 O ATOM 514 ND2 ASN A 34 2.400 -1.988 -8.584 1.00 0.00 N ATOM 0 H ASN A 34 5.135 -1.856 -6.658 1.00 0.00 H new ATOM 0 HA ASN A 34 5.631 0.177 -8.636 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.307 -0.521 -6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.268 0.862 -7.881 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.071 -2.623 -9.311 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.064 -2.091 -7.627 1.00 0.00 H new ATOM 521 N LEU A 35 5.669 0.903 -5.441 1.00 0.00 N ATOM 522 CA LEU A 35 6.014 1.937 -4.472 1.00 0.00 C ATOM 523 C LEU A 35 7.503 2.259 -4.528 1.00 0.00 C ATOM 524 O LEU A 35 7.914 3.393 -4.280 1.00 0.00 O ATOM 525 CB LEU A 35 5.629 1.492 -3.060 1.00 0.00 C ATOM 526 CG LEU A 35 4.126 1.463 -2.777 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.820 0.537 -1.610 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.610 2.866 -2.496 1.00 0.00 C ATOM 0 H LEU A 35 5.497 -0.016 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 35 5.456 2.838 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.035 0.496 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.105 2.160 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 35 3.616 1.080 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.746 0.529 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.154 -0.473 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.340 0.890 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.539 2.827 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.126 3.276 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.795 3.502 -3.362 1.00 0.00 H new ATOM 540 N LEU A 36 8.309 1.255 -4.855 1.00 0.00 N ATOM 541 CA LEU A 36 9.754 1.431 -4.945 1.00 0.00 C ATOM 542 C LEU A 36 10.119 2.346 -6.109 1.00 0.00 C ATOM 543 O LEU A 36 10.993 3.204 -5.987 1.00 0.00 O ATOM 544 CB LEU A 36 10.445 0.076 -5.108 1.00 0.00 C ATOM 545 CG LEU A 36 10.469 -0.795 -3.851 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.633 -2.261 -4.220 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.584 -0.350 -2.916 1.00 0.00 C ATOM 0 H LEU A 36 7.986 0.310 -5.062 1.00 0.00 H new ATOM 0 HA LEU A 36 10.097 1.896 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.945 -0.476 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.471 0.246 -5.433 1.00 0.00 H new ATOM 0 HG LEU A 36 9.518 -0.677 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.648 -2.865 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.800 -2.573 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.569 -2.397 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.587 -0.980 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.543 -0.438 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.422 0.688 -2.624 1.00 0.00 H new ATOM 559 N LYS A 37 9.445 2.154 -7.239 1.00 0.00 N ATOM 560 CA LYS A 37 9.698 2.962 -8.425 1.00 0.00 C ATOM 561 C LYS A 37 9.170 4.382 -8.240 1.00 0.00 C ATOM 562 O LYS A 37 9.720 5.336 -8.789 1.00 0.00 O ATOM 563 CB LYS A 37 9.048 2.322 -9.653 1.00 0.00 C ATOM 564 CG LYS A 37 9.533 2.903 -10.971 1.00 0.00 C ATOM 565 CD LYS A 37 9.277 1.951 -12.127 1.00 0.00 C ATOM 566 CE LYS A 37 9.898 2.462 -13.417 1.00 0.00 C ATOM 567 NZ LYS A 37 9.591 1.573 -14.571 1.00 0.00 N ATOM 0 H LYS A 37 8.720 1.446 -7.357 1.00 0.00 H new ATOM 0 HA LYS A 37 10.776 3.010 -8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.248 1.251 -9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.967 2.445 -9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.028 3.850 -11.160 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.600 3.118 -10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.686 0.969 -11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.203 1.824 -12.264 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.529 3.467 -13.624 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.978 2.538 -13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.032 1.956 -15.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.965 0.621 -14.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.561 1.520 -14.704 1.00 0.00 H new ATOM 581 N ASN A 38 8.100 4.512 -7.463 1.00 0.00 N ATOM 582 CA ASN A 38 7.495 5.814 -7.204 1.00 0.00 C ATOM 583 C ASN A 38 8.229 6.556 -6.086 1.00 0.00 C ATOM 584 O ASN A 38 7.857 7.675 -5.728 1.00 0.00 O ATOM 585 CB ASN A 38 6.020 5.648 -6.836 1.00 0.00 C ATOM 586 CG ASN A 38 5.138 5.475 -8.056 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.277 6.309 -8.338 1.00 0.00 O ATOM 588 ND2 ASN A 38 5.346 4.386 -8.788 1.00 0.00 N ATOM 0 H ASN A 38 7.633 3.731 -7.001 1.00 0.00 H new ATOM 0 HA ASN A 38 7.575 6.406 -8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.906 4.783 -6.183 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.688 6.520 -6.272 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.781 4.215 -9.620 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.070 3.721 -8.518 1.00 0.00 H new ATOM 595 N ASP A 39 9.270 5.933 -5.536 1.00 0.00 N ATOM 596 CA ASP A 39 10.045 6.543 -4.461 1.00 0.00 C ATOM 597 C ASP A 39 9.194 6.715 -3.207 1.00 0.00 C ATOM 598 O ASP A 39 9.101 7.810 -2.649 1.00 0.00 O ATOM 599 CB ASP A 39 10.602 7.897 -4.908 1.00 0.00 C ATOM 600 CG ASP A 39 11.826 8.309 -4.115 1.00 0.00 C ATOM 601 OD1 ASP A 39 12.517 7.416 -3.583 1.00 0.00 O ATOM 602 OD2 ASP A 39 12.093 9.526 -4.024 1.00 0.00 O ATOM 0 H ASP A 39 9.594 5.008 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 39 10.876 5.879 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.857 7.850 -5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.829 8.658 -4.800 1.00 0.00 H new ATOM 607 N TYR A 40 8.572 5.626 -2.768 1.00 0.00 N ATOM 608 CA TYR A 40 7.728 5.653 -1.579 1.00 0.00 C ATOM 609 C TYR A 40 8.260 4.702 -0.512 1.00 0.00 C ATOM 610 O TYR A 40 8.284 5.033 0.673 1.00 0.00 O ATOM 611 CB TYR A 40 6.289 5.279 -1.941 1.00 0.00 C ATOM 612 CG TYR A 40 5.479 6.438 -2.476 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.276 7.580 -1.710 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.915 6.391 -3.745 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.535 8.642 -2.195 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.175 7.449 -4.237 1.00 0.00 C ATOM 617 CZ TYR A 40 3.987 8.571 -3.458 1.00 0.00 C ATOM 618 OH TYR A 40 3.249 9.626 -3.943 1.00 0.00 O ATOM 0 H TYR A 40 8.637 4.713 -3.218 1.00 0.00 H new ATOM 0 HA TYR A 40 7.743 6.666 -1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.306 4.484 -2.686 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.793 4.878 -1.057 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.704 7.639 -0.720 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.057 5.513 -4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.386 9.522 -1.588 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.746 7.397 -5.227 1.00 0.00 H new ATOM 0 HH TYR A 40 2.935 9.417 -4.848 1.00 0.00 H new ATOM 628 N PHE A 41 8.686 3.518 -0.942 1.00 0.00 N ATOM 629 CA PHE A 41 9.218 2.518 -0.025 1.00 0.00 C ATOM 630 C PHE A 41 10.730 2.387 -0.182 1.00 0.00 C ATOM 631 O PHE A 41 11.229 2.109 -1.271 1.00 0.00 O ATOM 632 CB PHE A 41 8.549 1.165 -0.269 1.00 0.00 C ATOM 633 CG PHE A 41 7.328 0.937 0.576 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.255 1.813 0.517 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.254 -0.151 1.430 1.00 0.00 C ATOM 636 CE1 PHE A 41 5.131 1.606 1.295 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.132 -0.362 2.210 1.00 0.00 C ATOM 638 CZ PHE A 41 5.069 0.517 2.142 1.00 0.00 C ATOM 0 H PHE A 41 8.673 3.229 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 41 9.003 2.843 0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.272 1.090 -1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.270 0.372 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.298 2.666 -0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.082 -0.842 1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.302 2.296 1.240 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.087 -1.214 2.872 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.191 0.353 2.750 1.00 0.00 H new ATOM 648 N SER A 42 11.453 2.586 0.916 1.00 0.00 N ATOM 649 CA SER A 42 12.908 2.491 0.901 1.00 0.00 C ATOM 650 C SER A 42 13.359 1.039 1.019 1.00 0.00 C ATOM 651 O SER A 42 12.547 0.142 1.249 1.00 0.00 O ATOM 652 CB SER A 42 13.507 3.317 2.040 1.00 0.00 C ATOM 653 OG SER A 42 13.046 4.656 1.996 1.00 0.00 O ATOM 0 H SER A 42 11.055 2.814 1.827 1.00 0.00 H new ATOM 0 HA SER A 42 13.263 2.887 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.241 2.869 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.595 3.301 1.972 1.00 0.00 H new ATOM 0 HG SER A 42 13.442 5.163 2.735 1.00 0.00 H new ATOM 659 N ALA A 43 14.659 0.813 0.861 1.00 0.00 N ATOM 660 CA ALA A 43 15.218 -0.531 0.952 1.00 0.00 C ATOM 661 C ALA A 43 15.002 -1.122 2.340 1.00 0.00 C ATOM 662 O ALA A 43 14.823 -2.331 2.490 1.00 0.00 O ATOM 663 CB ALA A 43 16.700 -0.510 0.608 1.00 0.00 C ATOM 0 H ALA A 43 15.345 1.543 0.669 1.00 0.00 H new ATOM 0 HA ALA A 43 14.699 -1.164 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.105 -1.520 0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.832 -0.137 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.226 0.142 1.305 1.00 0.00 H new ATOM 669 N GLU A 44 15.020 -0.262 3.353 1.00 0.00 N ATOM 670 CA GLU A 44 14.824 -0.699 4.730 1.00 0.00 C ATOM 671 C GLU A 44 13.373 -1.102 4.973 1.00 0.00 C ATOM 672 O GLU A 44 13.092 -1.984 5.783 1.00 0.00 O ATOM 673 CB GLU A 44 15.224 0.414 5.700 1.00 0.00 C ATOM 674 CG GLU A 44 14.367 1.664 5.578 1.00 0.00 C ATOM 675 CD GLU A 44 15.188 2.939 5.606 1.00 0.00 C ATOM 676 OE1 GLU A 44 16.194 3.012 4.869 1.00 0.00 O ATOM 677 OE2 GLU A 44 14.824 3.863 6.362 1.00 0.00 O ATOM 0 H GLU A 44 15.168 0.741 3.246 1.00 0.00 H new ATOM 0 HA GLU A 44 15.457 -1.569 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.158 0.036 6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 44 16.267 0.680 5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.800 1.622 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.643 1.685 6.392 1.00 0.00 H new ATOM 684 N ASP A 45 12.457 -0.450 4.264 1.00 0.00 N ATOM 685 CA ASP A 45 11.035 -0.741 4.401 1.00 0.00 C ATOM 686 C ASP A 45 10.685 -2.075 3.749 1.00 0.00 C ATOM 687 O ASP A 45 10.073 -2.941 4.373 1.00 0.00 O ATOM 688 CB ASP A 45 10.202 0.380 3.777 1.00 0.00 C ATOM 689 CG ASP A 45 10.381 1.703 4.496 1.00 0.00 C ATOM 690 OD1 ASP A 45 9.845 1.847 5.615 1.00 0.00 O ATOM 691 OD2 ASP A 45 11.057 2.593 3.941 1.00 0.00 O ATOM 0 H ASP A 45 12.674 0.283 3.589 1.00 0.00 H new ATOM 0 HA ASP A 45 10.805 -0.807 5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.483 0.498 2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.149 0.099 3.795 1.00 0.00 H new ATOM 696 N ALA A 46 11.077 -2.231 2.489 1.00 0.00 N ATOM 697 CA ALA A 46 10.804 -3.458 1.751 1.00 0.00 C ATOM 698 C ALA A 46 11.434 -4.666 2.437 1.00 0.00 C ATOM 699 O ALA A 46 10.918 -5.780 2.350 1.00 0.00 O ATOM 700 CB ALA A 46 11.312 -3.337 0.321 1.00 0.00 C ATOM 0 H ALA A 46 11.585 -1.523 1.958 1.00 0.00 H new ATOM 0 HA ALA A 46 9.724 -3.607 1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.102 -4.260 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.811 -2.505 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.387 -3.159 0.331 1.00 0.00 H new ATOM 706 N GLU A 47 12.553 -4.437 3.116 1.00 0.00 N ATOM 707 CA GLU A 47 13.253 -5.506 3.817 1.00 0.00 C ATOM 708 C GLU A 47 12.385 -6.093 4.926 1.00 0.00 C ATOM 709 O GLU A 47 12.485 -7.277 5.247 1.00 0.00 O ATOM 710 CB GLU A 47 14.569 -4.986 4.402 1.00 0.00 C ATOM 711 CG GLU A 47 15.762 -5.878 4.101 1.00 0.00 C ATOM 712 CD GLU A 47 16.965 -5.551 4.963 1.00 0.00 C ATOM 713 OE1 GLU A 47 17.053 -4.403 5.451 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.821 -6.441 5.151 1.00 0.00 O ATOM 0 H GLU A 47 12.994 -3.521 3.195 1.00 0.00 H new ATOM 0 HA GLU A 47 13.470 -6.295 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.763 -3.988 4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.463 -4.887 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.481 -6.920 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.033 -5.774 3.050 1.00 0.00 H new ATOM 721 N ILE A 48 11.532 -5.255 5.509 1.00 0.00 N ATOM 722 CA ILE A 48 10.646 -5.691 6.582 1.00 0.00 C ATOM 723 C ILE A 48 9.490 -6.524 6.037 1.00 0.00 C ATOM 724 O ILE A 48 9.111 -7.537 6.623 1.00 0.00 O ATOM 725 CB ILE A 48 10.075 -4.490 7.362 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.201 -3.545 7.782 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.297 -4.970 8.579 1.00 0.00 C ATOM 728 CD1 ILE A 48 10.731 -2.137 8.073 1.00 0.00 C ATOM 0 H ILE A 48 11.436 -4.271 5.256 1.00 0.00 H new ATOM 0 HA ILE A 48 11.245 -6.303 7.257 1.00 0.00 H new ATOM 0 HB ILE A 48 9.392 -3.944 6.711 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.690 -3.947 8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.951 -3.513 6.992 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.900 -4.111 9.119 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.474 -5.607 8.256 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.959 -5.536 9.234 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.582 -1.522 8.365 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.268 -1.716 7.180 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.003 -2.157 8.884 1.00 0.00 H new ATOM 740 N VAL A 49 8.935 -6.090 4.909 1.00 0.00 N ATOM 741 CA VAL A 49 7.824 -6.797 4.284 1.00 0.00 C ATOM 742 C VAL A 49 8.228 -8.215 3.894 1.00 0.00 C ATOM 743 O VAL A 49 7.608 -9.188 4.324 1.00 0.00 O ATOM 744 CB VAL A 49 7.319 -6.055 3.032 1.00 0.00 C ATOM 745 CG1 VAL A 49 6.069 -6.724 2.481 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.054 -4.590 3.349 1.00 0.00 C ATOM 0 H VAL A 49 9.237 -5.253 4.410 1.00 0.00 H new ATOM 0 HA VAL A 49 7.020 -6.839 5.019 1.00 0.00 H new ATOM 0 HB VAL A 49 8.094 -6.103 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.728 -6.185 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.297 -7.755 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.285 -6.711 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.698 -4.082 2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.298 -4.518 4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.976 -4.119 3.691 1.00 0.00 H new ATOM 756 N CYS A 50 9.270 -8.325 3.078 1.00 0.00 N ATOM 757 CA CYS A 50 9.757 -9.624 2.630 1.00 0.00 C ATOM 758 C CYS A 50 10.185 -10.482 3.816 1.00 0.00 C ATOM 759 O CYS A 50 10.090 -11.709 3.775 1.00 0.00 O ATOM 760 CB CYS A 50 10.930 -9.447 1.665 1.00 0.00 C ATOM 761 SG CYS A 50 10.540 -8.458 0.203 1.00 0.00 S ATOM 0 H CYS A 50 9.794 -7.530 2.713 1.00 0.00 H new ATOM 0 HA CYS A 50 8.943 -10.131 2.112 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.757 -8.978 2.198 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.274 -10.430 1.344 1.00 0.00 H new ATOM 0 HG CYS A 50 10.552 -7.196 0.517 1.00 0.00 H new ATOM 767 N ALA A 51 10.657 -9.828 4.873 1.00 0.00 N ATOM 768 CA ALA A 51 11.100 -10.530 6.072 1.00 0.00 C ATOM 769 C ALA A 51 9.971 -11.358 6.679 1.00 0.00 C ATOM 770 O ALA A 51 10.218 -12.312 7.418 1.00 0.00 O ATOM 771 CB ALA A 51 11.637 -9.539 7.093 1.00 0.00 C ATOM 0 H ALA A 51 10.742 -8.813 4.923 1.00 0.00 H new ATOM 0 HA ALA A 51 11.899 -11.214 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.964 -10.076 7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.480 -8.997 6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.851 -8.833 7.363 1.00 0.00 H new ATOM 777 N CYS A 52 8.731 -10.990 6.366 1.00 0.00 N ATOM 778 CA CYS A 52 7.566 -11.700 6.884 1.00 0.00 C ATOM 779 C CYS A 52 7.647 -13.191 6.565 1.00 0.00 C ATOM 780 O CYS A 52 8.239 -13.590 5.562 1.00 0.00 O ATOM 781 CB CYS A 52 6.282 -11.111 6.301 1.00 0.00 C ATOM 782 SG CYS A 52 5.724 -9.601 7.125 1.00 0.00 S ATOM 0 H CYS A 52 8.508 -10.204 5.756 1.00 0.00 H new ATOM 0 HA CYS A 52 7.553 -11.580 7.967 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.440 -10.898 5.244 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.491 -11.859 6.361 1.00 0.00 H new ATOM 0 HG CYS A 52 6.162 -8.564 6.474 1.00 0.00 H new ATOM 788 N PRO A 53 7.051 -14.039 7.422 1.00 0.00 N ATOM 789 CA PRO A 53 7.059 -15.491 7.230 1.00 0.00 C ATOM 790 C PRO A 53 6.060 -15.943 6.171 1.00 0.00 C ATOM 791 O PRO A 53 6.320 -16.884 5.421 1.00 0.00 O ATOM 792 CB PRO A 53 6.657 -16.021 8.605 1.00 0.00 C ATOM 793 CG PRO A 53 5.793 -14.953 9.180 1.00 0.00 C ATOM 794 CD PRO A 53 6.324 -13.647 8.646 1.00 0.00 C ATOM 0 HA PRO A 53 8.025 -15.855 6.878 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.119 -16.966 8.524 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.531 -16.204 9.231 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.752 -15.097 8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.826 -14.970 10.269 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.518 -12.947 8.426 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.983 -13.159 9.364 1.00 0.00 H new ATOM 802 N THR A 54 4.914 -15.272 6.118 1.00 0.00 N ATOM 803 CA THR A 54 3.876 -15.611 5.152 1.00 0.00 C ATOM 804 C THR A 54 3.308 -14.358 4.492 1.00 0.00 C ATOM 805 O THR A 54 3.761 -13.245 4.758 1.00 0.00 O ATOM 806 CB THR A 54 2.756 -16.395 5.835 1.00 0.00 C ATOM 807 OG1 THR A 54 2.258 -15.683 6.955 1.00 0.00 O ATOM 808 CG2 THR A 54 3.187 -17.762 6.316 1.00 0.00 C ATOM 0 H THR A 54 4.681 -14.491 6.732 1.00 0.00 H new ATOM 0 HA THR A 54 4.326 -16.230 4.376 1.00 0.00 H new ATOM 0 HB THR A 54 1.988 -16.523 5.073 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.541 -16.199 7.378 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.344 -18.263 6.791 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.531 -18.354 5.468 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.998 -17.655 7.037 1.00 0.00 H new ATOM 816 N GLN A 55 2.314 -14.547 3.629 1.00 0.00 N ATOM 817 CA GLN A 55 1.684 -13.434 2.930 1.00 0.00 C ATOM 818 C GLN A 55 0.851 -12.582 3.888 1.00 0.00 C ATOM 819 O GLN A 55 1.019 -11.364 3.951 1.00 0.00 O ATOM 820 CB GLN A 55 0.801 -13.951 1.790 1.00 0.00 C ATOM 821 CG GLN A 55 1.001 -13.206 0.481 1.00 0.00 C ATOM 822 CD GLN A 55 2.103 -13.807 -0.369 1.00 0.00 C ATOM 823 OE1 GLN A 55 2.115 -15.011 -0.631 1.00 0.00 O ATOM 824 NE2 GLN A 55 3.039 -12.971 -0.805 1.00 0.00 N ATOM 0 H GLN A 55 1.928 -15.462 3.397 1.00 0.00 H new ATOM 0 HA GLN A 55 2.475 -12.810 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.009 -15.009 1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.245 -13.873 2.087 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.068 -13.212 -0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.238 -12.163 0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.991 -11.981 -0.564 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.806 -13.319 -1.380 1.00 0.00 H new ATOM 833 N PRO A 56 -0.059 -13.213 4.652 1.00 0.00 N ATOM 834 CA PRO A 56 -0.914 -12.501 5.608 1.00 0.00 C ATOM 835 C PRO A 56 -0.119 -11.557 6.504 1.00 0.00 C ATOM 836 O PRO A 56 -0.645 -10.557 6.990 1.00 0.00 O ATOM 837 CB PRO A 56 -1.533 -13.630 6.434 1.00 0.00 C ATOM 838 CG PRO A 56 -1.546 -14.803 5.517 1.00 0.00 C ATOM 839 CD PRO A 56 -0.327 -14.665 4.645 1.00 0.00 C ATOM 0 HA PRO A 56 -1.647 -11.867 5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.946 -13.834 7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.540 -13.374 6.764 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.520 -15.737 6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.455 -14.818 4.916 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.516 -15.230 5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.512 -15.034 3.636 1.00 0.00 H new ATOM 847 N ASP A 57 1.152 -11.882 6.715 1.00 0.00 N ATOM 848 CA ASP A 57 2.022 -11.063 7.550 1.00 0.00 C ATOM 849 C ASP A 57 2.583 -9.888 6.756 1.00 0.00 C ATOM 850 O ASP A 57 2.769 -8.796 7.293 1.00 0.00 O ATOM 851 CB ASP A 57 3.165 -11.908 8.112 1.00 0.00 C ATOM 852 CG ASP A 57 2.779 -12.627 9.391 1.00 0.00 C ATOM 853 OD1 ASP A 57 1.637 -13.127 9.468 1.00 0.00 O ATOM 854 OD2 ASP A 57 3.618 -12.690 10.313 1.00 0.00 O ATOM 0 H ASP A 57 1.602 -12.707 6.319 1.00 0.00 H new ATOM 0 HA ASP A 57 1.431 -10.671 8.377 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.473 -12.640 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.026 -11.268 8.304 1.00 0.00 H new ATOM 859 N LYS A 58 2.850 -10.119 5.475 1.00 0.00 N ATOM 860 CA LYS A 58 3.389 -9.081 4.606 1.00 0.00 C ATOM 861 C LYS A 58 2.381 -7.954 4.413 1.00 0.00 C ATOM 862 O LYS A 58 2.727 -6.776 4.504 1.00 0.00 O ATOM 863 CB LYS A 58 3.774 -9.673 3.249 1.00 0.00 C ATOM 864 CG LYS A 58 4.878 -10.716 3.332 1.00 0.00 C ATOM 865 CD LYS A 58 4.857 -11.649 2.131 1.00 0.00 C ATOM 866 CE LYS A 58 5.972 -11.322 1.151 1.00 0.00 C ATOM 867 NZ LYS A 58 7.134 -12.244 1.301 1.00 0.00 N ATOM 0 H LYS A 58 2.701 -11.018 5.016 1.00 0.00 H new ATOM 0 HA LYS A 58 4.279 -8.670 5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.892 -10.125 2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.095 -8.868 2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.846 -10.218 3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.763 -11.297 4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.959 -12.680 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.894 -11.572 1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.589 -11.384 0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.302 -10.295 1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.872 -11.987 0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.516 -12.167 2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.826 -13.222 1.128 1.00 0.00 H new ATOM 881 N VAL A 59 1.132 -8.321 4.144 1.00 0.00 N ATOM 882 CA VAL A 59 0.074 -7.339 3.938 1.00 0.00 C ATOM 883 C VAL A 59 -0.095 -6.450 5.165 1.00 0.00 C ATOM 884 O VAL A 59 -0.177 -5.226 5.051 1.00 0.00 O ATOM 885 CB VAL A 59 -1.271 -8.017 3.621 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.312 -6.980 3.222 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.101 -9.062 2.526 1.00 0.00 C ATOM 0 H VAL A 59 0.828 -9.291 4.064 1.00 0.00 H new ATOM 0 HA VAL A 59 0.372 -6.728 3.086 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.621 -8.523 4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.256 -7.478 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.456 -6.275 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.970 -6.443 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.063 -9.530 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.726 -8.583 1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.392 -9.822 2.855 1.00 0.00 H new ATOM 897 N ARG A 60 -0.146 -7.073 6.337 1.00 0.00 N ATOM 898 CA ARG A 60 -0.305 -6.337 7.586 1.00 0.00 C ATOM 899 C ARG A 60 0.911 -5.459 7.858 1.00 0.00 C ATOM 900 O ARG A 60 0.791 -4.372 8.425 1.00 0.00 O ATOM 901 CB ARG A 60 -0.519 -7.306 8.750 1.00 0.00 C ATOM 902 CG ARG A 60 -1.431 -6.759 9.837 1.00 0.00 C ATOM 903 CD ARG A 60 -0.812 -6.910 11.218 1.00 0.00 C ATOM 904 NE ARG A 60 -1.772 -7.415 12.197 1.00 0.00 N ATOM 905 CZ ARG A 60 -2.239 -8.662 12.200 1.00 0.00 C ATOM 906 NH1 ARG A 60 -1.841 -9.530 11.278 1.00 0.00 N ATOM 907 NH2 ARG A 60 -3.109 -9.041 13.127 1.00 0.00 N ATOM 0 H ARG A 60 -0.080 -8.085 6.449 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.181 -5.695 7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.942 -8.235 8.366 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.448 -7.553 9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.637 -5.706 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.387 -7.282 9.807 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.039 -7.589 11.161 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.429 -5.945 11.551 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.103 -6.776 12.919 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.174 -9.243 10.562 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.202 -10.484 11.286 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.420 -8.377 13.837 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.467 -9.996 13.130 1.00 0.00 H new ATOM 921 N LYS A 61 2.082 -5.936 7.449 1.00 0.00 N ATOM 922 CA LYS A 61 3.321 -5.194 7.648 1.00 0.00 C ATOM 923 C LYS A 61 3.342 -3.931 6.792 1.00 0.00 C ATOM 924 O LYS A 61 3.691 -2.852 7.270 1.00 0.00 O ATOM 925 CB LYS A 61 4.527 -6.074 7.312 1.00 0.00 C ATOM 926 CG LYS A 61 5.864 -5.375 7.497 1.00 0.00 C ATOM 927 CD LYS A 61 6.082 -4.957 8.942 1.00 0.00 C ATOM 928 CE LYS A 61 6.355 -6.156 9.835 1.00 0.00 C ATOM 929 NZ LYS A 61 5.986 -5.889 11.253 1.00 0.00 N ATOM 0 H LYS A 61 2.199 -6.833 6.978 1.00 0.00 H new ATOM 0 HA LYS A 61 3.376 -4.901 8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.502 -6.964 7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.443 -6.411 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.669 -6.040 7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.908 -4.497 6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.920 -4.262 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.202 -4.425 9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.793 -7.016 9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.412 -6.418 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.188 -6.731 11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.540 -5.085 11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.972 -5.664 11.312 1.00 0.00 H new ATOM 943 N ILE A 62 2.964 -4.075 5.526 1.00 0.00 N ATOM 944 CA ILE A 62 2.938 -2.946 4.605 1.00 0.00 C ATOM 945 C ILE A 62 1.936 -1.891 5.065 1.00 0.00 C ATOM 946 O ILE A 62 2.220 -0.693 5.029 1.00 0.00 O ATOM 947 CB ILE A 62 2.581 -3.394 3.174 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.506 -4.525 2.725 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.668 -2.219 2.210 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.841 -5.518 1.796 1.00 0.00 C ATOM 0 H ILE A 62 2.672 -4.962 5.115 1.00 0.00 H new ATOM 0 HA ILE A 62 3.939 -2.516 4.599 1.00 0.00 H new ATOM 0 HB ILE A 62 1.556 -3.764 3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.374 -4.096 2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.874 -5.053 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.413 -2.554 1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.971 -1.441 2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.682 -1.820 2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.556 -6.292 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.990 -5.975 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.497 -5.003 0.899 1.00 0.00 H new ATOM 962 N LEU A 63 0.765 -2.345 5.499 1.00 0.00 N ATOM 963 CA LEU A 63 -0.279 -1.440 5.968 1.00 0.00 C ATOM 964 C LEU A 63 0.218 -0.598 7.138 1.00 0.00 C ATOM 965 O LEU A 63 -0.033 0.605 7.201 1.00 0.00 O ATOM 966 CB LEU A 63 -1.520 -2.232 6.386 1.00 0.00 C ATOM 967 CG LEU A 63 -2.212 -2.994 5.256 1.00 0.00 C ATOM 968 CD1 LEU A 63 -3.071 -4.117 5.817 1.00 0.00 C ATOM 969 CD2 LEU A 63 -3.052 -2.048 4.412 1.00 0.00 C ATOM 0 H LEU A 63 0.515 -3.333 5.536 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.542 -0.772 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.235 -2.943 7.161 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.238 -1.544 6.833 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.446 -3.435 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.556 -4.648 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.443 -4.810 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.830 -3.699 6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.537 -2.608 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.810 -1.578 5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.411 -1.280 3.980 1.00 0.00 H new ATOM 981 N ASP A 64 0.927 -1.238 8.063 1.00 0.00 N ATOM 982 CA ASP A 64 1.462 -0.547 9.230 1.00 0.00 C ATOM 983 C ASP A 64 2.524 0.467 8.817 1.00 0.00 C ATOM 984 O ASP A 64 2.653 1.528 9.427 1.00 0.00 O ATOM 985 CB ASP A 64 2.056 -1.553 10.218 1.00 0.00 C ATOM 986 CG ASP A 64 2.021 -1.048 11.648 1.00 0.00 C ATOM 987 OD1 ASP A 64 0.913 -0.782 12.157 1.00 0.00 O ATOM 988 OD2 ASP A 64 3.104 -0.921 12.258 1.00 0.00 O ATOM 0 H ASP A 64 1.144 -2.234 8.026 1.00 0.00 H new ATOM 0 HA ASP A 64 0.644 -0.015 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.505 -2.491 10.153 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.087 -1.769 9.937 1.00 0.00 H new ATOM 993 N LEU A 65 3.281 0.131 7.779 1.00 0.00 N ATOM 994 CA LEU A 65 4.332 1.012 7.281 1.00 0.00 C ATOM 995 C LEU A 65 3.736 2.268 6.655 1.00 0.00 C ATOM 996 O LEU A 65 4.112 3.387 7.005 1.00 0.00 O ATOM 997 CB LEU A 65 5.198 0.280 6.254 1.00 0.00 C ATOM 998 CG LEU A 65 6.206 -0.708 6.842 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.731 -1.642 5.764 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.352 0.037 7.510 1.00 0.00 C ATOM 0 H LEU A 65 3.187 -0.745 7.265 1.00 0.00 H new ATOM 0 HA LEU A 65 4.954 1.307 8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.544 -0.258 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.739 1.020 5.665 1.00 0.00 H new ATOM 0 HG LEU A 65 5.699 -1.309 7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.447 -2.337 6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.901 -2.200 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.222 -1.059 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.061 -0.681 7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.857 0.663 6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.961 0.663 8.312 1.00 0.00 H new ATOM 1012 N VAL A 66 2.804 2.075 5.726 1.00 0.00 N ATOM 1013 CA VAL A 66 2.155 3.192 5.049 1.00 0.00 C ATOM 1014 C VAL A 66 1.498 4.136 6.051 1.00 0.00 C ATOM 1015 O VAL A 66 1.545 5.355 5.892 1.00 0.00 O ATOM 1016 CB VAL A 66 1.091 2.700 4.050 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.545 3.862 3.233 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.669 1.624 3.140 1.00 0.00 C ATOM 0 H VAL A 66 2.482 1.155 5.425 1.00 0.00 H new ATOM 0 HA VAL A 66 2.933 3.728 4.506 1.00 0.00 H new ATOM 0 HB VAL A 66 0.266 2.263 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.205 3.494 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.090 4.594 3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.358 4.331 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.903 1.289 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.513 2.032 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.005 0.780 3.742 1.00 0.00 H new ATOM 1028 N GLN A 67 0.887 3.563 7.082 1.00 0.00 N ATOM 1029 CA GLN A 67 0.221 4.353 8.110 1.00 0.00 C ATOM 1030 C GLN A 67 1.230 5.186 8.896 1.00 0.00 C ATOM 1031 O GLN A 67 0.901 6.254 9.411 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.557 3.441 9.061 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.712 2.712 8.395 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.178 1.508 9.189 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.398 0.887 9.911 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.455 1.172 9.060 1.00 0.00 N ATOM 0 H GLN A 67 0.839 2.555 7.228 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.476 5.030 7.617 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.127 2.707 9.488 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.943 4.037 9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.546 3.402 8.266 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.407 2.390 7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.066 1.715 8.450 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.826 0.371 9.571 1.00 0.00 H new ATOM 1045 N SER A 68 2.461 4.690 8.984 1.00 0.00 N ATOM 1046 CA SER A 68 3.517 5.389 9.706 1.00 0.00 C ATOM 1047 C SER A 68 4.004 6.600 8.917 1.00 0.00 C ATOM 1048 O SER A 68 4.359 7.628 9.495 1.00 0.00 O ATOM 1049 CB SER A 68 4.686 4.442 9.985 1.00 0.00 C ATOM 1050 OG SER A 68 5.184 4.619 11.300 1.00 0.00 O ATOM 0 H SER A 68 2.751 3.807 8.564 1.00 0.00 H new ATOM 0 HA SER A 68 3.107 5.737 10.654 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.362 3.410 9.852 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.483 4.621 9.264 1.00 0.00 H new ATOM 0 HG SER A 68 5.929 4.001 11.454 1.00 0.00 H new ATOM 1056 N LYS A 69 4.016 6.473 7.595 1.00 0.00 N ATOM 1057 CA LYS A 69 4.459 7.556 6.726 1.00 0.00 C ATOM 1058 C LYS A 69 3.510 8.747 6.815 1.00 0.00 C ATOM 1059 O LYS A 69 3.889 9.822 7.281 1.00 0.00 O ATOM 1060 CB LYS A 69 4.555 7.073 5.278 1.00 0.00 C ATOM 1061 CG LYS A 69 5.313 5.766 5.122 1.00 0.00 C ATOM 1062 CD LYS A 69 5.592 5.454 3.659 1.00 0.00 C ATOM 1063 CE LYS A 69 6.285 4.111 3.496 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.728 4.267 3.166 1.00 0.00 N ATOM 0 H LYS A 69 3.724 5.630 7.101 1.00 0.00 H new ATOM 0 HA LYS A 69 5.447 7.874 7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.549 6.950 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.045 7.841 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.254 5.823 5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.736 4.954 5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.655 5.451 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.215 6.240 3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.183 3.536 4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.792 3.541 2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.133 3.338 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.831 4.906 2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.230 4.666 3.985 1.00 0.00 H new ATOM 1078 N GLY A 70 2.275 8.548 6.367 1.00 0.00 N ATOM 1079 CA GLY A 70 1.291 9.613 6.407 1.00 0.00 C ATOM 1080 C GLY A 70 0.256 9.489 5.307 1.00 0.00 C ATOM 1081 O GLY A 70 0.190 8.471 4.618 1.00 0.00 O ATOM 0 H GLY A 70 1.938 7.668 5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.790 9.604 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.797 10.574 6.318 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.556 10.528 5.142 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.595 10.534 4.118 1.00 0.00 C ATOM 1087 C GLU A 71 -0.986 10.591 2.720 1.00 0.00 C ATOM 1088 O GLU A 71 -1.593 10.137 1.749 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.537 11.721 4.325 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.461 11.563 5.522 1.00 0.00 C ATOM 1091 CD GLU A 71 -3.795 12.888 6.178 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -2.928 13.431 6.895 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -4.925 13.382 5.976 1.00 0.00 O ATOM 0 H GLU A 71 -0.515 11.378 5.705 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.162 9.608 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.944 12.627 4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.140 11.857 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.383 11.077 5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.992 10.907 6.255 1.00 0.00 H new ATOM 1100 N GLU A 72 0.216 11.154 2.622 1.00 0.00 N ATOM 1101 CA GLU A 72 0.904 11.271 1.340 1.00 0.00 C ATOM 1102 C GLU A 72 1.065 9.905 0.679 1.00 0.00 C ATOM 1103 O GLU A 72 0.781 9.743 -0.508 1.00 0.00 O ATOM 1104 CB GLU A 72 2.275 11.922 1.533 1.00 0.00 C ATOM 1105 CG GLU A 72 2.899 12.421 0.239 1.00 0.00 C ATOM 1106 CD GLU A 72 3.044 13.929 0.203 1.00 0.00 C ATOM 1107 OE1 GLU A 72 3.226 14.534 1.281 1.00 0.00 O ATOM 1108 OE2 GLU A 72 2.976 14.506 -0.902 1.00 0.00 O ATOM 0 H GLU A 72 0.733 11.536 3.414 1.00 0.00 H new ATOM 0 HA GLU A 72 0.298 11.899 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.177 12.758 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.948 11.201 1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.880 11.963 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.286 12.099 -0.603 1.00 0.00 H new ATOM 1115 N VAL A 73 1.524 8.927 1.453 1.00 0.00 N ATOM 1116 CA VAL A 73 1.722 7.577 0.942 1.00 0.00 C ATOM 1117 C VAL A 73 0.433 6.766 1.018 1.00 0.00 C ATOM 1118 O VAL A 73 0.172 5.916 0.167 1.00 0.00 O ATOM 1119 CB VAL A 73 2.829 6.837 1.719 1.00 0.00 C ATOM 1120 CG1 VAL A 73 3.127 5.491 1.076 1.00 0.00 C ATOM 1121 CG2 VAL A 73 4.088 7.688 1.799 1.00 0.00 C ATOM 0 H VAL A 73 1.766 9.045 2.437 1.00 0.00 H new ATOM 0 HA VAL A 73 2.025 7.675 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 73 2.475 6.658 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.911 4.984 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.225 4.879 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.459 5.644 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.857 7.148 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.447 7.903 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.863 8.624 2.311 1.00 0.00 H new ATOM 1131 N SER A 74 -0.369 7.035 2.042 1.00 0.00 N ATOM 1132 CA SER A 74 -1.632 6.329 2.230 1.00 0.00 C ATOM 1133 C SER A 74 -2.561 6.552 1.041 1.00 0.00 C ATOM 1134 O SER A 74 -3.324 5.665 0.661 1.00 0.00 O ATOM 1135 CB SER A 74 -2.313 6.793 3.518 1.00 0.00 C ATOM 1136 OG SER A 74 -3.203 5.805 4.008 1.00 0.00 O ATOM 0 H SER A 74 -0.168 7.736 2.755 1.00 0.00 H new ATOM 0 HA SER A 74 -1.416 5.263 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.558 7.014 4.273 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.858 7.718 3.332 1.00 0.00 H new ATOM 0 HG SER A 74 -4.034 5.827 3.489 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.490 7.745 0.457 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.325 8.085 -0.690 1.00 0.00 C ATOM 1144 C GLU A 75 -2.885 7.314 -1.930 1.00 0.00 C ATOM 1145 O GLU A 75 -3.715 6.883 -2.732 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.265 9.589 -0.963 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.142 10.032 -2.122 1.00 0.00 C ATOM 1148 CD GLU A 75 -4.570 11.483 -2.010 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -5.565 11.755 -1.307 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -3.908 12.345 -2.624 1.00 0.00 O ATOM 0 H GLU A 75 -1.864 8.491 0.759 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.352 7.806 -0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.567 10.125 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.233 9.871 -1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.601 9.888 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.028 9.398 -2.165 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.576 7.145 -2.084 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.025 6.427 -3.228 1.00 0.00 C ATOM 1159 C PHE A 76 -1.208 4.922 -3.067 1.00 0.00 C ATOM 1160 O PHE A 76 -1.568 4.225 -4.015 1.00 0.00 O ATOM 1161 CB PHE A 76 0.458 6.759 -3.398 1.00 0.00 C ATOM 1162 CG PHE A 76 1.064 6.176 -4.643 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.930 6.821 -5.861 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.766 4.982 -4.594 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.486 6.287 -7.008 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.324 4.443 -5.737 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.184 5.097 -6.946 1.00 0.00 C ATOM 0 H PHE A 76 -0.876 7.496 -1.430 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.565 6.745 -4.120 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.580 7.842 -3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.006 6.392 -2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.385 7.752 -5.915 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.878 4.467 -3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.375 6.800 -7.952 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.869 3.512 -5.686 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.620 4.678 -7.841 1.00 0.00 H new ATOM 1177 N PHE A 77 -0.955 4.426 -1.860 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.090 3.002 -1.575 1.00 0.00 C ATOM 1179 C PHE A 77 -2.523 2.534 -1.803 1.00 0.00 C ATOM 1180 O PHE A 77 -2.756 1.466 -2.369 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.669 2.707 -0.135 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.573 1.241 0.176 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.502 0.492 -0.274 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.558 0.612 0.920 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.593 -0.857 0.011 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.473 -0.736 1.209 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.396 -1.473 0.754 1.00 0.00 C ATOM 0 H PHE A 77 -0.655 4.989 -1.064 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.437 2.458 -2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.297 3.174 0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.385 3.168 0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.278 0.968 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.402 1.182 1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.436 -1.429 -0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.248 -1.214 1.790 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.328 -2.527 0.978 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.482 3.340 -1.359 1.00 0.00 N ATOM 1198 CA LEU A 78 -4.894 3.010 -1.514 1.00 0.00 C ATOM 1199 C LEU A 78 -5.324 3.127 -2.973 1.00 0.00 C ATOM 1200 O LEU A 78 -6.220 2.414 -3.426 1.00 0.00 O ATOM 1201 CB LEU A 78 -5.753 3.926 -0.641 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.009 3.412 0.778 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.011 4.564 1.772 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.325 2.652 0.838 1.00 0.00 C ATOM 0 H LEU A 78 -3.306 4.228 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.037 1.978 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.269 4.901 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.713 4.079 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.204 2.729 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.195 4.179 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.044 5.067 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.796 5.272 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.492 2.293 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.141 3.314 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.286 1.803 0.155 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.681 4.031 -3.706 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.000 4.243 -5.113 1.00 0.00 C ATOM 1218 C TYR A 79 -4.656 3.008 -5.941 1.00 0.00 C ATOM 1219 O TYR A 79 -5.408 2.616 -6.833 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.243 5.458 -5.652 1.00 0.00 C ATOM 1221 CG TYR A 79 -5.026 6.258 -6.667 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.248 5.767 -7.948 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.543 7.507 -6.345 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.964 6.496 -8.878 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.260 8.243 -7.269 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.467 7.734 -8.534 1.00 0.00 C ATOM 1227 OH TYR A 79 -7.180 8.463 -9.458 1.00 0.00 O ATOM 0 H TYR A 79 -3.936 4.628 -3.348 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.072 4.426 -5.193 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.975 6.107 -4.819 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.311 5.122 -6.107 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.854 4.799 -8.221 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.382 7.909 -5.356 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.129 6.099 -9.869 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.656 9.212 -7.002 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.465 9.311 -9.057 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.513 2.400 -5.639 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.067 1.210 -6.355 1.00 0.00 C ATOM 1239 C LEU A 80 -4.086 0.081 -6.228 1.00 0.00 C ATOM 1240 O LEU A 80 -4.219 -0.753 -7.122 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.709 0.748 -5.824 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.544 1.697 -6.114 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.509 1.598 -5.022 1.00 0.00 C ATOM 1244 CD2 LEU A 80 0.065 1.392 -7.474 1.00 0.00 C ATOM 0 H LEU A 80 -2.879 2.712 -4.903 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.969 1.469 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.785 0.610 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.480 -0.227 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.926 2.718 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.330 2.280 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.065 1.866 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.888 0.577 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.892 2.076 -7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.433 0.366 -7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.693 1.515 -8.248 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.802 0.061 -5.109 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.808 -0.967 -4.862 1.00 0.00 C ATOM 1258 C LEU A 81 -6.962 -0.855 -5.855 1.00 0.00 C ATOM 1259 O LEU A 81 -7.613 -1.849 -6.178 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.339 -0.856 -3.431 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.456 -1.501 -2.362 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -5.913 -1.087 -0.971 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.475 -3.016 -2.502 1.00 0.00 C ATOM 0 H LEU A 81 -4.705 0.745 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.335 -1.940 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.466 0.199 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.327 -1.314 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.432 -1.154 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.273 -1.556 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.850 -0.003 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.944 -1.405 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.842 -3.460 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.496 -3.379 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.101 -3.295 -3.487 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.214 0.359 -6.333 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.292 0.597 -7.286 1.00 0.00 C ATOM 1277 C GLN A 82 -7.845 0.279 -8.710 1.00 0.00 C ATOM 1278 O GLN A 82 -8.433 -0.569 -9.381 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.765 2.049 -7.202 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.011 2.333 -8.025 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.777 3.541 -7.524 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -10.222 4.407 -6.849 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -12.062 3.605 -7.854 1.00 0.00 N ATOM 0 H GLN A 82 -6.686 1.193 -6.076 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.119 -0.064 -7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.964 2.297 -6.160 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.961 2.704 -7.538 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.726 2.493 -9.065 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.663 1.460 -8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.482 2.864 -8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.629 4.395 -7.546 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.802 0.967 -9.165 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.276 0.761 -10.511 1.00 0.00 C ATOM 1294 C GLN A 83 -5.925 -0.706 -10.746 1.00 0.00 C ATOM 1295 O GLN A 83 -5.984 -1.194 -11.875 1.00 0.00 O ATOM 1296 CB GLN A 83 -5.041 1.634 -10.737 1.00 0.00 C ATOM 1297 CG GLN A 83 -3.967 1.454 -9.677 1.00 0.00 C ATOM 1298 CD GLN A 83 -2.566 1.496 -10.253 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -1.847 2.484 -10.098 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -2.169 0.421 -10.924 1.00 0.00 N ATOM 0 H GLN A 83 -6.304 1.672 -8.622 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.052 1.046 -11.222 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.617 1.404 -11.714 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.345 2.680 -10.760 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.070 2.236 -8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.119 0.501 -9.170 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.797 -0.376 -11.028 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.236 0.392 -11.335 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.560 -1.402 -9.675 1.00 0.00 N ATOM 1310 CA LEU A 84 -5.199 -2.813 -9.767 1.00 0.00 C ATOM 1311 C LEU A 84 -6.415 -3.709 -9.542 1.00 0.00 C ATOM 1312 O LEU A 84 -6.430 -4.865 -9.965 1.00 0.00 O ATOM 1313 CB LEU A 84 -4.111 -3.148 -8.746 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.773 -2.441 -8.970 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.852 -2.650 -7.778 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -2.116 -2.939 -10.249 1.00 0.00 C ATOM 0 H LEU A 84 -5.506 -1.013 -8.734 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.819 -2.997 -10.772 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.477 -2.894 -7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.942 -4.225 -8.758 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.961 -1.372 -9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.905 -2.140 -7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.320 -2.244 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.670 -3.716 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.165 -2.426 -10.393 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.941 -4.012 -10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.770 -2.736 -11.097 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.433 -3.171 -8.874 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.652 -3.924 -8.592 1.00 0.00 C ATOM 1330 C ALA A 85 -9.188 -4.609 -9.847 1.00 0.00 C ATOM 1331 O ALA A 85 -9.839 -5.651 -9.766 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.710 -3.007 -7.998 1.00 0.00 C ATOM 0 H ALA A 85 -7.437 -2.215 -8.518 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.406 -4.701 -7.868 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.614 -3.580 -7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.336 -2.573 -7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.939 -2.210 -8.705 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.909 -4.020 -11.005 1.00 0.00 N ATOM 1339 CA ASP A 86 -9.364 -4.577 -12.274 1.00 0.00 C ATOM 1340 C ASP A 86 -8.820 -5.988 -12.479 1.00 0.00 C ATOM 1341 O ASP A 86 -9.449 -6.817 -13.136 1.00 0.00 O ATOM 1342 CB ASP A 86 -8.932 -3.677 -13.434 1.00 0.00 C ATOM 1343 CG ASP A 86 -10.004 -2.677 -13.820 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -10.042 -1.585 -13.215 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -10.804 -2.985 -14.728 1.00 0.00 O ATOM 0 H ASP A 86 -8.371 -3.158 -11.091 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.452 -4.629 -12.248 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.023 -3.143 -13.157 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.687 -4.295 -14.298 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.648 -6.254 -11.911 1.00 0.00 N ATOM 1351 CA ALA A 87 -7.020 -7.564 -12.031 1.00 0.00 C ATOM 1352 C ALA A 87 -7.044 -8.309 -10.701 1.00 0.00 C ATOM 1353 O ALA A 87 -6.081 -8.986 -10.339 1.00 0.00 O ATOM 1354 CB ALA A 87 -5.590 -7.420 -12.532 1.00 0.00 C ATOM 0 H ALA A 87 -7.114 -5.579 -11.363 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.590 -8.147 -12.754 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.133 -8.406 -12.617 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.594 -6.936 -13.509 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.018 -6.814 -11.830 1.00 0.00 H new ATOM 1360 N TYR A 88 -8.151 -8.183 -9.977 1.00 0.00 N ATOM 1361 CA TYR A 88 -8.302 -8.845 -8.687 1.00 0.00 C ATOM 1362 C TYR A 88 -9.622 -9.607 -8.617 1.00 0.00 C ATOM 1363 O TYR A 88 -10.462 -9.493 -9.510 1.00 0.00 O ATOM 1364 CB TYR A 88 -8.228 -7.821 -7.551 1.00 0.00 C ATOM 1365 CG TYR A 88 -6.860 -7.722 -6.912 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -5.857 -6.952 -7.489 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -6.573 -8.396 -5.733 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -4.607 -6.858 -6.908 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -5.325 -8.307 -5.145 1.00 0.00 C ATOM 1370 CZ TYR A 88 -4.346 -7.537 -5.737 1.00 0.00 C ATOM 1371 OH TYR A 88 -3.102 -7.446 -5.155 1.00 0.00 O ATOM 0 H TYR A 88 -8.958 -7.628 -10.262 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.486 -9.559 -8.576 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.511 -6.842 -7.937 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.958 -8.086 -6.787 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.058 -6.419 -8.406 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.338 -9.000 -5.267 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.838 -6.256 -7.369 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.118 -8.837 -4.227 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.084 -7.983 -4.336 1.00 0.00 H new ATOM 1381 N VAL A 89 -9.797 -10.383 -7.553 1.00 0.00 N ATOM 1382 CA VAL A 89 -11.015 -11.163 -7.369 1.00 0.00 C ATOM 1383 C VAL A 89 -11.670 -10.850 -6.028 1.00 0.00 C ATOM 1384 O VAL A 89 -12.886 -10.667 -5.948 1.00 0.00 O ATOM 1385 CB VAL A 89 -10.731 -12.675 -7.446 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -10.291 -13.064 -8.848 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -9.683 -13.074 -6.419 1.00 0.00 C ATOM 0 H VAL A 89 -9.111 -10.489 -6.805 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.693 -10.886 -8.176 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.652 -13.212 -7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.095 -14.136 -8.884 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.079 -12.816 -9.559 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.383 -12.520 -9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.495 -14.145 -6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.758 -12.530 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.043 -12.833 -5.419 1.00 0.00 H new ATOM 1397 N ASP A 90 -10.859 -10.790 -4.977 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.363 -10.499 -3.640 1.00 0.00 C ATOM 1399 C ASP A 90 -11.664 -9.012 -3.482 1.00 0.00 C ATOM 1400 O ASP A 90 -12.569 -8.628 -2.741 1.00 0.00 O ATOM 1401 CB ASP A 90 -10.347 -10.941 -2.584 1.00 0.00 C ATOM 1402 CG ASP A 90 -11.009 -11.569 -1.373 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -12.166 -11.207 -1.074 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -10.370 -12.424 -0.725 1.00 0.00 O ATOM 0 H ASP A 90 -9.851 -10.939 -5.025 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.290 -11.054 -3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.654 -11.656 -3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.758 -10.080 -2.267 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.900 -8.181 -4.182 1.00 0.00 N ATOM 1410 CA LEU A 91 -11.085 -6.735 -4.120 1.00 0.00 C ATOM 1411 C LEU A 91 -11.952 -6.248 -5.278 1.00 0.00 C ATOM 1412 O LEU A 91 -11.582 -6.383 -6.444 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.732 -6.024 -4.146 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.791 -6.384 -2.994 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.365 -5.967 -3.321 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -9.257 -5.729 -1.703 1.00 0.00 C ATOM 0 H LEU A 91 -10.146 -8.483 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.592 -6.499 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.235 -6.256 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.904 -4.948 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.810 -7.465 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.709 -6.231 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.033 -6.481 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.329 -4.890 -3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.577 -5.995 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.267 -4.646 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.262 -6.076 -1.461 1.00 0.00 H new ATOM 1428 N ARG A 92 -13.108 -5.678 -4.946 1.00 0.00 N ATOM 1429 CA ARG A 92 -14.028 -5.169 -5.958 1.00 0.00 C ATOM 1430 C ARG A 92 -15.267 -4.553 -5.308 1.00 0.00 C ATOM 1431 O ARG A 92 -15.535 -3.363 -5.472 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.439 -6.287 -6.919 1.00 0.00 C ATOM 1433 CG ARG A 92 -14.119 -5.984 -8.375 1.00 0.00 C ATOM 1434 CD ARG A 92 -13.549 -7.198 -9.088 1.00 0.00 C ATOM 1435 NE ARG A 92 -13.005 -6.857 -10.401 1.00 0.00 N ATOM 1436 CZ ARG A 92 -13.755 -6.642 -11.479 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -15.077 -6.730 -11.406 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -13.180 -6.335 -12.635 1.00 0.00 N ATOM 0 H ARG A 92 -13.429 -5.557 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.512 -4.392 -6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.935 -7.209 -6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.510 -6.465 -6.820 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.024 -5.653 -8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.405 -5.162 -8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.765 -7.643 -8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.329 -7.950 -9.203 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.992 -6.779 -10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.524 -6.964 -10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.646 -6.564 -12.236 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.164 -6.264 -12.696 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.754 -6.170 -13.462 1.00 0.00 H new ATOM 1452 N PRO A 93 -16.043 -5.358 -4.559 1.00 0.00 N ATOM 1453 CA PRO A 93 -17.256 -4.878 -3.887 1.00 0.00 C ATOM 1454 C PRO A 93 -16.948 -3.884 -2.772 1.00 0.00 C ATOM 1455 O PRO A 93 -17.777 -3.039 -2.435 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.878 -6.154 -3.311 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.740 -7.105 -3.175 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.802 -6.791 -4.307 1.00 0.00 C ATOM 0 HA PRO A 93 -17.913 -4.342 -4.572 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.351 -5.963 -2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.649 -6.551 -3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.244 -6.985 -2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.085 -8.137 -3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.764 -6.983 -4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.017 -7.396 -5.188 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.751 -3.991 -2.203 1.00 0.00 N ATOM 1467 CA TRP A 94 -15.336 -3.099 -1.128 1.00 0.00 C ATOM 1468 C TRP A 94 -15.205 -1.665 -1.629 1.00 0.00 C ATOM 1469 O TRP A 94 -15.784 -0.742 -1.057 1.00 0.00 O ATOM 1470 CB TRP A 94 -14.006 -3.567 -0.533 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.544 -2.731 0.622 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -14.269 -2.388 1.726 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -12.254 -2.129 0.785 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -13.510 -1.611 2.567 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -12.269 -1.438 2.011 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -11.089 -2.109 0.013 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -11.163 -0.734 2.483 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.992 -1.410 0.482 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -10.036 -0.732 1.707 1.00 0.00 C ATOM 0 H TRP A 94 -15.053 -4.686 -2.469 1.00 0.00 H new ATOM 0 HA TRP A 94 -16.102 -3.125 -0.353 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.107 -4.602 -0.206 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.243 -3.552 -1.311 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -15.291 -2.684 1.912 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.819 -1.226 3.459 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -11.046 -2.630 -0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -11.194 -0.209 3.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -9.086 -1.386 -0.106 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -9.162 -0.196 2.046 1.00 0.00 H new ATOM 1490 N LEU A 95 -14.440 -1.486 -2.702 1.00 0.00 N ATOM 1491 CA LEU A 95 -14.232 -0.164 -3.283 1.00 0.00 C ATOM 1492 C LEU A 95 -15.560 0.481 -3.665 1.00 0.00 C ATOM 1493 O LEU A 95 -15.718 1.699 -3.577 1.00 0.00 O ATOM 1494 CB LEU A 95 -13.327 -0.262 -4.513 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.934 -0.835 -4.248 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.422 -1.580 -5.472 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.969 0.274 -3.854 1.00 0.00 C ATOM 0 H LEU A 95 -13.954 -2.240 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.749 0.462 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.822 -0.882 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.218 0.733 -4.945 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.003 -1.541 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.430 -1.981 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.101 -2.398 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.368 -0.895 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.982 -0.151 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.904 1.004 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.328 0.765 -2.949 1.00 0.00 H new ATOM 1509 N LEU A 96 -16.513 -0.342 -4.089 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.828 0.149 -4.484 1.00 0.00 C ATOM 1511 C LEU A 96 -18.606 0.658 -3.275 1.00 0.00 C ATOM 1512 O LEU A 96 -19.439 1.555 -3.394 1.00 0.00 O ATOM 1513 CB LEU A 96 -18.619 -0.958 -5.184 1.00 0.00 C ATOM 1514 CG LEU A 96 -18.116 -1.330 -6.581 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -18.405 -2.792 -6.880 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -18.752 -0.432 -7.632 1.00 0.00 C ATOM 0 H LEU A 96 -16.399 -1.353 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.685 0.979 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -18.598 -1.850 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.661 -0.646 -5.261 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.037 -1.182 -6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.040 -3.038 -7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.902 -3.420 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.480 -2.967 -6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.383 -0.710 -8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.835 -0.549 -7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.493 0.607 -7.428 1.00 0.00 H new ATOM 1528 N GLU A 97 -18.329 0.078 -2.111 1.00 0.00 N ATOM 1529 CA GLU A 97 -19.004 0.472 -0.880 1.00 0.00 C ATOM 1530 C GLU A 97 -18.386 1.740 -0.300 1.00 0.00 C ATOM 1531 O GLU A 97 -19.094 2.683 0.051 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.938 -0.658 0.148 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.986 -1.738 -0.066 1.00 0.00 C ATOM 1534 CD GLU A 97 -21.207 -1.546 0.811 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -21.847 -0.478 0.713 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -21.525 -2.465 1.595 1.00 0.00 O ATOM 0 H GLU A 97 -17.642 -0.667 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 97 -20.048 0.676 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.948 -1.112 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -19.060 -0.237 1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.291 -1.741 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.545 -2.713 0.140 1.00 0.00 H new ATOM 1543 N ILE A 98 -17.061 1.755 -0.202 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.348 2.908 0.337 1.00 0.00 C ATOM 1545 C ILE A 98 -16.325 4.058 -0.664 1.00 0.00 C ATOM 1546 O ILE A 98 -16.376 5.227 -0.283 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.901 2.546 0.721 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -14.133 2.042 -0.503 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.892 1.501 1.827 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.668 1.776 -0.232 1.00 0.00 C ATOM 0 H ILE A 98 -16.459 0.983 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.885 3.221 1.232 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.405 3.443 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.600 1.125 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.218 2.777 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.862 1.256 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.404 1.896 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.403 0.602 1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.188 1.422 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.186 2.696 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.574 1.018 0.546 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.247 3.718 -1.946 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.218 4.734 -2.983 1.00 0.00 C ATOM 1564 C GLY A 99 -14.964 5.585 -2.925 1.00 0.00 C ATOM 1565 O GLY A 99 -14.940 6.621 -2.261 1.00 0.00 O ATOM 0 H GLY A 99 -16.203 2.757 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.283 4.254 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.094 5.375 -2.884 1.00 0.00 H new ATOM 1569 N PHE A 100 -13.921 5.147 -3.622 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.658 5.876 -3.646 1.00 0.00 C ATOM 1571 C PHE A 100 -12.675 6.957 -4.722 1.00 0.00 C ATOM 1572 O PHE A 100 -12.402 8.125 -4.444 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.495 4.912 -3.893 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.181 5.409 -3.363 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.828 5.201 -2.040 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.298 6.087 -4.190 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.620 5.658 -1.550 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.088 6.546 -3.705 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.748 6.331 -2.383 1.00 0.00 C ATOM 0 H PHE A 100 -13.925 4.291 -4.177 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.524 6.356 -2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.725 3.952 -3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.402 4.735 -4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.505 4.675 -1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.559 6.258 -5.224 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.358 5.489 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.409 7.072 -4.359 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.803 6.688 -2.002 1.00 0.00 H new