USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 826 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 92 GLN : amide:sc= 1.51 K(o=1.3,f=-1.6) USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.177 X(o=1.3,f=1.3) USER MOD Set 2.1: A 52 SER OG : rot 74:sc= 1.19 USER MOD Set 2.2: A 61 HIS : no HD1:sc= 0.969 K(o=2.2,f=-4.1!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 1.04 (180deg=0.909) USER MOD Single : A 14 HIS : no HD1:sc= -0.772 X(o=-0.77,f=-0.77) USER MOD Single : A 16 GLN : amide:sc= 0.824 K(o=0.82,f=-0.57) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.546 X(o=-0.55,f=-0.27) USER MOD Single : A 34 HIS : no HD1:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 35 SER OG : rot -124:sc= 0.303 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.165 K(o=0.16,f=-1.9) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 1.12 (180deg=0.83) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 49 TYR OH : rot 180:sc=-0.00401 USER MOD Single : A 65 GLN : amide:sc= 0.928 K(o=0.93,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.3) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 31:sc= 0.123 USER MOD Single : A 87 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.25) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -73:sc= 1.09 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -118:sc= 0.574 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 11.107 6.852 6.681 1.00 0.00 N ATOM 67 CA GLU A 8 10.667 6.083 5.512 1.00 0.00 C ATOM 68 C GLU A 8 9.653 6.876 4.684 1.00 0.00 C ATOM 69 O GLU A 8 9.635 6.776 3.460 1.00 0.00 O ATOM 70 CB GLU A 8 10.020 4.742 5.910 1.00 0.00 C ATOM 71 CG GLU A 8 10.726 3.967 7.037 1.00 0.00 C ATOM 72 CD GLU A 8 12.107 3.392 6.711 1.00 0.00 C ATOM 73 OE1 GLU A 8 12.651 3.678 5.617 1.00 0.00 O ATOM 74 OE2 GLU A 8 12.719 2.697 7.552 1.00 0.00 O ATOM 0 HA GLU A 8 11.563 5.886 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.991 4.933 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.978 4.104 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.827 4.631 7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.078 3.146 7.344 1.00 0.00 H new ATOM 81 N VAL A 9 8.822 7.688 5.339 1.00 0.00 N ATOM 82 CA VAL A 9 7.810 8.504 4.675 1.00 0.00 C ATOM 83 C VAL A 9 8.444 9.539 3.724 1.00 0.00 C ATOM 84 O VAL A 9 7.789 10.002 2.783 1.00 0.00 O ATOM 85 CB VAL A 9 6.876 9.102 5.755 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.610 10.006 6.759 1.00 0.00 C ATOM 87 CG2 VAL A 9 5.672 9.840 5.156 1.00 0.00 C ATOM 0 H VAL A 9 8.834 7.797 6.353 1.00 0.00 H new ATOM 0 HA VAL A 9 7.194 7.891 4.017 1.00 0.00 H new ATOM 0 HB VAL A 9 6.502 8.239 6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.898 10.392 7.489 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.379 9.430 7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.073 10.838 6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.053 10.238 5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.023 10.659 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.084 9.148 4.554 1.00 0.00 H new ATOM 97 N GLN A 10 9.710 9.916 3.941 1.00 0.00 N ATOM 98 CA GLN A 10 10.410 10.884 3.103 1.00 0.00 C ATOM 99 C GLN A 10 11.005 10.229 1.842 1.00 0.00 C ATOM 100 O GLN A 10 11.311 10.930 0.868 1.00 0.00 O ATOM 101 CB GLN A 10 11.455 11.628 3.933 1.00 0.00 C ATOM 102 CG GLN A 10 10.760 12.752 4.716 1.00 0.00 C ATOM 103 CD GLN A 10 11.458 13.024 6.031 1.00 0.00 C ATOM 104 OE1 GLN A 10 12.661 13.272 6.082 1.00 0.00 O ATOM 105 NE2 GLN A 10 10.715 12.974 7.119 1.00 0.00 N ATOM 0 H GLN A 10 10.276 9.553 4.708 1.00 0.00 H new ATOM 0 HA GLN A 10 9.690 11.617 2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.950 10.941 4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.227 12.042 3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.746 13.661 4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.722 12.478 4.904 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.719 12.766 7.047 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.136 13.143 8.032 1.00 0.00 H new ATOM 114 N LYS A 11 11.167 8.900 1.835 1.00 0.00 N ATOM 115 CA LYS A 11 11.725 8.159 0.705 1.00 0.00 C ATOM 116 C LYS A 11 10.733 8.056 -0.451 1.00 0.00 C ATOM 117 O LYS A 11 9.517 8.054 -0.223 1.00 0.00 O ATOM 118 CB LYS A 11 12.012 6.705 1.111 1.00 0.00 C ATOM 119 CG LYS A 11 13.242 6.480 1.983 1.00 0.00 C ATOM 120 CD LYS A 11 13.253 4.997 2.389 1.00 0.00 C ATOM 121 CE LYS A 11 14.655 4.530 2.764 1.00 0.00 C ATOM 122 NZ LYS A 11 15.433 4.075 1.594 1.00 0.00 N ATOM 0 H LYS A 11 10.911 8.306 2.624 1.00 0.00 H new ATOM 0 HA LYS A 11 12.624 8.698 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.141 6.319 1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.122 6.111 0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.151 6.735 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.209 7.119 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.580 4.845 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.875 4.391 1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.187 5.345 3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.582 3.717 3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.421 3.913 1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.027 3.189 1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.399 4.802 0.851 1.00 0.00 H new ATOM 136 N PRO A 12 11.220 7.921 -1.693 1.00 0.00 N ATOM 137 CA PRO A 12 10.354 7.758 -2.850 1.00 0.00 C ATOM 138 C PRO A 12 9.756 6.344 -2.805 1.00 0.00 C ATOM 139 O PRO A 12 10.287 5.458 -2.135 1.00 0.00 O ATOM 140 CB PRO A 12 11.260 7.971 -4.057 1.00 0.00 C ATOM 141 CG PRO A 12 12.628 7.509 -3.559 1.00 0.00 C ATOM 142 CD PRO A 12 12.621 7.917 -2.090 1.00 0.00 C ATOM 0 HA PRO A 12 9.518 8.456 -2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.928 7.389 -4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.277 9.016 -4.367 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.757 6.433 -3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.439 7.989 -4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.198 7.217 -1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.070 8.901 -1.954 1.00 0.00 H new ATOM 150 N LEU A 13 8.678 6.097 -3.554 1.00 0.00 N ATOM 151 CA LEU A 13 8.015 4.788 -3.585 1.00 0.00 C ATOM 152 C LEU A 13 8.963 3.649 -3.992 1.00 0.00 C ATOM 153 O LEU A 13 8.828 2.550 -3.461 1.00 0.00 O ATOM 154 CB LEU A 13 6.745 4.867 -4.458 1.00 0.00 C ATOM 155 CG LEU A 13 6.136 3.515 -4.915 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.638 3.674 -5.169 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.761 3.055 -6.240 1.00 0.00 C ATOM 0 H LEU A 13 8.240 6.796 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 13 7.707 4.535 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.983 5.415 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.977 5.455 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 13 6.331 2.789 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.220 2.720 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.146 3.996 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.478 4.420 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.319 2.105 -6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.573 3.803 -7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.836 2.930 -6.111 1.00 0.00 H new ATOM 169 N HIS A 14 9.925 3.896 -4.890 1.00 0.00 N ATOM 170 CA HIS A 14 10.876 2.870 -5.356 1.00 0.00 C ATOM 171 C HIS A 14 11.909 2.446 -4.292 1.00 0.00 C ATOM 172 O HIS A 14 12.785 1.627 -4.570 1.00 0.00 O ATOM 173 CB HIS A 14 11.528 3.291 -6.679 1.00 0.00 C ATOM 174 CG HIS A 14 11.999 4.716 -6.733 1.00 0.00 C ATOM 175 ND1 HIS A 14 13.181 5.217 -6.242 1.00 0.00 N ATOM 176 CD2 HIS A 14 11.334 5.736 -7.345 1.00 0.00 C ATOM 177 CE1 HIS A 14 13.224 6.519 -6.559 1.00 0.00 C ATOM 178 NE2 HIS A 14 12.114 6.888 -7.225 1.00 0.00 N ATOM 0 H HIS A 14 10.069 4.812 -5.316 1.00 0.00 H new ATOM 0 HA HIS A 14 10.293 1.968 -5.542 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.378 2.636 -6.872 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.813 3.130 -7.486 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.374 5.666 -7.836 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.040 7.183 -6.313 1.00 0.00 H new ATOM 0 HE2 HIS A 14 11.888 7.820 -7.572 1.00 0.00 H new ATOM 186 N GLU A 15 11.842 3.003 -3.081 1.00 0.00 N ATOM 187 CA GLU A 15 12.720 2.689 -1.957 1.00 0.00 C ATOM 188 C GLU A 15 11.886 2.149 -0.783 1.00 0.00 C ATOM 189 O GLU A 15 12.389 2.030 0.334 1.00 0.00 O ATOM 190 CB GLU A 15 13.550 3.920 -1.557 1.00 0.00 C ATOM 191 CG GLU A 15 14.728 4.197 -2.506 1.00 0.00 C ATOM 192 CD GLU A 15 16.023 4.532 -1.759 1.00 0.00 C ATOM 193 OE1 GLU A 15 15.981 5.322 -0.784 1.00 0.00 O ATOM 194 OE2 GLU A 15 17.077 3.960 -2.123 1.00 0.00 O ATOM 0 H GLU A 15 11.147 3.713 -2.850 1.00 0.00 H new ATOM 0 HA GLU A 15 13.425 1.913 -2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.900 4.795 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.933 3.778 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.893 3.324 -3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.470 5.025 -3.167 1.00 0.00 H new ATOM 201 N GLN A 16 10.602 1.846 -1.006 1.00 0.00 N ATOM 202 CA GLN A 16 9.708 1.344 0.024 1.00 0.00 C ATOM 203 C GLN A 16 9.718 -0.176 0.063 1.00 0.00 C ATOM 204 O GLN A 16 9.549 -0.836 -0.964 1.00 0.00 O ATOM 205 CB GLN A 16 8.282 1.840 -0.236 1.00 0.00 C ATOM 206 CG GLN A 16 8.180 3.371 -0.194 1.00 0.00 C ATOM 207 CD GLN A 16 8.413 3.972 1.187 1.00 0.00 C ATOM 208 OE1 GLN A 16 8.279 3.320 2.215 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.722 5.251 1.232 1.00 0.00 N ATOM 0 H GLN A 16 10.157 1.946 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 16 10.057 1.717 0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.947 1.483 -1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.610 1.413 0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.906 3.792 -0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.192 3.669 -0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.830 5.780 0.367 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.853 5.713 2.132 1.00 0.00 H new ATOM 218 N LEU A 17 9.822 -0.715 1.275 1.00 0.00 N ATOM 219 CA LEU A 17 9.846 -2.144 1.589 1.00 0.00 C ATOM 220 C LEU A 17 8.607 -2.884 1.097 1.00 0.00 C ATOM 221 O LEU A 17 8.687 -4.088 0.872 1.00 0.00 O ATOM 222 CB LEU A 17 10.026 -2.397 3.104 1.00 0.00 C ATOM 223 CG LEU A 17 8.796 -2.173 4.014 1.00 0.00 C ATOM 224 CD1 LEU A 17 9.126 -2.521 5.467 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.334 -0.717 3.992 1.00 0.00 C ATOM 0 H LEU A 17 9.896 -0.136 2.111 1.00 0.00 H new ATOM 0 HA LEU A 17 10.709 -2.541 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.360 -3.426 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.830 -1.753 3.460 1.00 0.00 H new ATOM 0 HG LEU A 17 8.008 -2.819 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.247 -2.356 6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.425 -3.567 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.942 -1.888 5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.468 -0.600 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.141 -0.074 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.063 -0.437 2.974 1.00 0.00 H new ATOM 237 N TRP A 18 7.476 -2.193 0.932 1.00 0.00 N ATOM 238 CA TRP A 18 6.210 -2.755 0.481 1.00 0.00 C ATOM 239 C TRP A 18 6.014 -2.656 -1.032 1.00 0.00 C ATOM 240 O TRP A 18 5.008 -3.162 -1.529 1.00 0.00 O ATOM 241 CB TRP A 18 5.054 -2.038 1.207 1.00 0.00 C ATOM 242 CG TRP A 18 5.163 -0.552 1.427 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.411 0.050 2.613 1.00 0.00 C ATOM 244 CD2 TRP A 18 4.972 0.542 0.479 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.417 1.421 2.456 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.053 1.776 1.182 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.752 0.628 -0.906 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.860 3.013 0.558 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.591 1.866 -1.558 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.626 3.062 -0.824 1.00 0.00 C ATOM 0 H TRP A 18 7.420 -1.191 1.117 1.00 0.00 H new ATOM 0 HA TRP A 18 6.220 -3.818 0.724 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.140 -2.225 0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.929 -2.510 2.181 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.580 -0.467 3.546 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.660 2.084 3.192 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.705 -0.281 -1.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.891 3.924 1.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.440 1.895 -2.627 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.474 4.010 -1.318 1.00 0.00 H new ATOM 261 N TYR A 19 6.896 -1.982 -1.775 1.00 0.00 N ATOM 262 CA TYR A 19 6.751 -1.833 -3.214 1.00 0.00 C ATOM 263 C TYR A 19 7.481 -2.949 -3.969 1.00 0.00 C ATOM 264 O TYR A 19 8.649 -2.813 -4.331 1.00 0.00 O ATOM 265 CB TYR A 19 7.184 -0.427 -3.629 1.00 0.00 C ATOM 266 CG TYR A 19 7.039 -0.256 -5.128 1.00 0.00 C ATOM 267 CD1 TYR A 19 5.784 -0.455 -5.736 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.169 -0.016 -5.924 1.00 0.00 C ATOM 269 CE1 TYR A 19 5.665 -0.441 -7.133 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.062 0.014 -7.325 1.00 0.00 C ATOM 271 CZ TYR A 19 6.806 -0.217 -7.934 1.00 0.00 C ATOM 272 OH TYR A 19 6.661 -0.262 -9.283 1.00 0.00 O ATOM 0 H TYR A 19 7.725 -1.528 -1.392 1.00 0.00 H new ATOM 0 HA TYR A 19 5.702 -1.942 -3.489 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.578 0.316 -3.111 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.219 -0.256 -3.334 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.910 -0.619 -5.123 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.129 0.147 -5.456 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.702 -0.601 -7.596 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.933 0.212 -7.933 1.00 0.00 H new ATOM 0 HH TYR A 19 7.526 -0.089 -9.711 1.00 0.00 H new ATOM 282 N HIS A 20 6.781 -4.053 -4.236 1.00 0.00 N ATOM 283 CA HIS A 20 7.335 -5.222 -4.926 1.00 0.00 C ATOM 284 C HIS A 20 7.471 -5.076 -6.449 1.00 0.00 C ATOM 285 O HIS A 20 7.944 -6.022 -7.081 1.00 0.00 O ATOM 286 CB HIS A 20 6.460 -6.456 -4.635 1.00 0.00 C ATOM 287 CG HIS A 20 6.541 -6.970 -3.223 1.00 0.00 C ATOM 288 ND1 HIS A 20 7.256 -8.064 -2.783 1.00 0.00 N ATOM 289 CD2 HIS A 20 5.919 -6.420 -2.142 1.00 0.00 C ATOM 290 CE1 HIS A 20 7.092 -8.146 -1.451 1.00 0.00 C ATOM 291 NE2 HIS A 20 6.311 -7.144 -1.017 1.00 0.00 N ATOM 0 H HIS A 20 5.801 -4.163 -3.976 1.00 0.00 H new ATOM 0 HA HIS A 20 8.346 -5.330 -4.534 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.422 -6.208 -4.857 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.749 -7.257 -5.315 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.245 -5.576 -2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.526 -8.908 -0.821 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.054 -6.950 -0.049 1.00 0.00 H new ATOM 299 N GLY A 21 7.067 -3.966 -7.072 1.00 0.00 N ATOM 300 CA GLY A 21 7.165 -3.828 -8.527 1.00 0.00 C ATOM 301 C GLY A 21 5.887 -4.361 -9.185 1.00 0.00 C ATOM 302 O GLY A 21 4.854 -4.501 -8.530 1.00 0.00 O ATOM 0 H GLY A 21 6.672 -3.155 -6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.313 -2.781 -8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.031 -4.377 -8.896 1.00 0.00 H new ATOM 306 N ALA A 22 5.901 -4.644 -10.487 1.00 0.00 N ATOM 307 CA ALA A 22 4.748 -5.138 -11.252 1.00 0.00 C ATOM 308 C ALA A 22 4.369 -6.620 -11.023 1.00 0.00 C ATOM 309 O ALA A 22 3.632 -7.180 -11.846 1.00 0.00 O ATOM 310 CB ALA A 22 5.022 -4.876 -12.739 1.00 0.00 C ATOM 0 H ALA A 22 6.738 -4.534 -11.059 1.00 0.00 H new ATOM 0 HA ALA A 22 3.878 -4.591 -10.888 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.181 -5.233 -13.333 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.152 -3.806 -12.902 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.928 -5.402 -13.040 1.00 0.00 H new ATOM 316 N ILE A 23 4.813 -7.254 -9.930 1.00 0.00 N ATOM 317 CA ILE A 23 4.561 -8.665 -9.602 1.00 0.00 C ATOM 318 C ILE A 23 3.141 -9.189 -9.887 1.00 0.00 C ATOM 319 O ILE A 23 2.144 -8.497 -9.638 1.00 0.00 O ATOM 320 CB ILE A 23 4.968 -9.025 -8.157 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.249 -8.181 -7.083 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.491 -8.929 -8.015 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.285 -8.855 -5.706 1.00 0.00 C ATOM 0 H ILE A 23 5.378 -6.782 -9.224 1.00 0.00 H new ATOM 0 HA ILE A 23 5.212 -9.181 -10.308 1.00 0.00 H new ATOM 0 HB ILE A 23 4.646 -10.051 -7.977 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.718 -7.199 -7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.213 -8.020 -7.381 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.778 -9.183 -6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.966 -9.623 -8.709 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.814 -7.913 -8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.768 -8.227 -4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.792 -9.826 -5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.321 -8.992 -5.395 1.00 0.00 H new ATOM 335 N PRO A 24 3.031 -10.444 -10.368 1.00 0.00 N ATOM 336 CA PRO A 24 1.754 -11.052 -10.666 1.00 0.00 C ATOM 337 C PRO A 24 1.031 -11.451 -9.383 1.00 0.00 C ATOM 338 O PRO A 24 1.637 -11.774 -8.360 1.00 0.00 O ATOM 339 CB PRO A 24 2.067 -12.272 -11.540 1.00 0.00 C ATOM 340 CG PRO A 24 3.440 -12.706 -11.032 1.00 0.00 C ATOM 341 CD PRO A 24 4.105 -11.370 -10.703 1.00 0.00 C ATOM 0 HA PRO A 24 1.088 -10.361 -11.183 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.323 -13.059 -11.418 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.090 -12.016 -12.599 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.364 -13.349 -10.155 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.996 -13.261 -11.787 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.799 -11.477 -9.869 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.682 -11.004 -11.553 1.00 0.00 H new ATOM 349 N ARG A 25 -0.293 -11.520 -9.483 1.00 0.00 N ATOM 350 CA ARG A 25 -1.208 -11.885 -8.404 1.00 0.00 C ATOM 351 C ARG A 25 -0.862 -13.207 -7.711 1.00 0.00 C ATOM 352 O ARG A 25 -1.195 -13.368 -6.535 1.00 0.00 O ATOM 353 CB ARG A 25 -2.655 -11.909 -8.931 1.00 0.00 C ATOM 354 CG ARG A 25 -2.912 -12.814 -10.158 1.00 0.00 C ATOM 355 CD ARG A 25 -2.709 -12.121 -11.514 1.00 0.00 C ATOM 356 NE ARG A 25 -2.488 -13.102 -12.586 1.00 0.00 N ATOM 357 CZ ARG A 25 -2.143 -12.825 -13.849 1.00 0.00 C ATOM 358 NH1 ARG A 25 -1.840 -11.590 -14.231 1.00 0.00 N ATOM 359 NH2 ARG A 25 -2.105 -13.810 -14.730 1.00 0.00 N ATOM 0 H ARG A 25 -0.780 -11.314 -10.356 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.101 -11.118 -7.637 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.310 -12.232 -8.122 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.944 -10.890 -9.188 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.249 -13.677 -10.102 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.933 -13.193 -10.107 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.583 -11.513 -11.749 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.856 -11.445 -11.455 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.609 -14.086 -12.345 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.867 -10.826 -13.556 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.580 -11.405 -15.200 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.336 -14.761 -14.442 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.844 -13.619 -15.697 1.00 0.00 H new ATOM 373 N ALA A 26 -0.217 -14.134 -8.415 1.00 0.00 N ATOM 374 CA ALA A 26 0.155 -15.424 -7.865 1.00 0.00 C ATOM 375 C ALA A 26 1.225 -15.290 -6.786 1.00 0.00 C ATOM 376 O ALA A 26 1.265 -16.111 -5.877 1.00 0.00 O ATOM 377 CB ALA A 26 0.625 -16.319 -9.005 1.00 0.00 C ATOM 0 H ALA A 26 0.061 -14.005 -9.388 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.713 -15.873 -7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.909 -17.294 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.182 -16.442 -9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.485 -15.862 -9.495 1.00 0.00 H new ATOM 383 N GLU A 27 2.124 -14.307 -6.899 1.00 0.00 N ATOM 384 CA GLU A 27 3.160 -14.095 -5.891 1.00 0.00 C ATOM 385 C GLU A 27 2.463 -13.474 -4.687 1.00 0.00 C ATOM 386 O GLU A 27 2.549 -13.973 -3.571 1.00 0.00 O ATOM 387 CB GLU A 27 4.230 -13.115 -6.401 1.00 0.00 C ATOM 388 CG GLU A 27 5.195 -13.717 -7.424 1.00 0.00 C ATOM 389 CD GLU A 27 6.289 -14.570 -6.772 1.00 0.00 C ATOM 390 OE1 GLU A 27 7.158 -14.005 -6.063 1.00 0.00 O ATOM 391 OE2 GLU A 27 6.337 -15.794 -7.034 1.00 0.00 O ATOM 0 H GLU A 27 2.153 -13.649 -7.678 1.00 0.00 H new ATOM 0 HA GLU A 27 3.653 -15.037 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.734 -12.254 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.803 -12.746 -5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.634 -14.330 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.659 -12.914 -7.997 1.00 0.00 H new ATOM 398 N VAL A 28 1.733 -12.389 -4.962 1.00 0.00 N ATOM 399 CA VAL A 28 0.979 -11.576 -4.027 1.00 0.00 C ATOM 400 C VAL A 28 0.208 -12.422 -3.021 1.00 0.00 C ATOM 401 O VAL A 28 0.362 -12.167 -1.836 1.00 0.00 O ATOM 402 CB VAL A 28 0.068 -10.608 -4.806 1.00 0.00 C ATOM 403 CG1 VAL A 28 -0.741 -9.683 -3.893 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.870 -9.711 -5.757 1.00 0.00 C ATOM 0 H VAL A 28 1.653 -12.038 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 28 1.678 -10.986 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.609 -11.256 -5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.363 -9.025 -4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.376 -10.281 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.061 -9.083 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.191 -9.043 -6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.585 -9.121 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.405 -10.330 -6.477 1.00 0.00 H new ATOM 414 N ALA A 29 -0.579 -13.411 -3.453 1.00 0.00 N ATOM 415 CA ALA A 29 -1.373 -14.249 -2.556 1.00 0.00 C ATOM 416 C ALA A 29 -0.587 -14.920 -1.430 1.00 0.00 C ATOM 417 O ALA A 29 -1.172 -15.197 -0.381 1.00 0.00 O ATOM 418 CB ALA A 29 -2.090 -15.320 -3.370 1.00 0.00 C ATOM 0 H ALA A 29 -0.682 -13.652 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.073 -13.572 -2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.683 -15.947 -2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.745 -14.845 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.355 -15.936 -3.889 1.00 0.00 H new ATOM 424 N GLU A 30 0.702 -15.187 -1.635 1.00 0.00 N ATOM 425 CA GLU A 30 1.529 -15.823 -0.626 1.00 0.00 C ATOM 426 C GLU A 30 2.285 -14.767 0.200 1.00 0.00 C ATOM 427 O GLU A 30 2.863 -15.113 1.227 1.00 0.00 O ATOM 428 CB GLU A 30 2.499 -16.819 -1.294 1.00 0.00 C ATOM 429 CG GLU A 30 1.855 -17.815 -2.284 1.00 0.00 C ATOM 430 CD GLU A 30 0.764 -18.712 -1.681 1.00 0.00 C ATOM 431 OE1 GLU A 30 1.107 -19.749 -1.057 1.00 0.00 O ATOM 432 OE2 GLU A 30 -0.437 -18.430 -1.895 1.00 0.00 O ATOM 0 H GLU A 30 1.194 -14.968 -2.501 1.00 0.00 H new ATOM 0 HA GLU A 30 0.890 -16.379 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.266 -16.253 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.004 -17.386 -0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.426 -17.254 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.638 -18.449 -2.699 1.00 0.00 H new ATOM 439 N LEU A 31 2.317 -13.487 -0.203 1.00 0.00 N ATOM 440 CA LEU A 31 3.019 -12.448 0.521 1.00 0.00 C ATOM 441 C LEU A 31 2.208 -12.052 1.756 1.00 0.00 C ATOM 442 O LEU A 31 2.780 -11.912 2.837 1.00 0.00 O ATOM 443 CB LEU A 31 3.265 -11.244 -0.401 1.00 0.00 C ATOM 444 CG LEU A 31 4.115 -11.467 -1.656 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.273 -10.135 -2.403 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.495 -12.013 -1.301 1.00 0.00 C ATOM 0 H LEU A 31 1.850 -13.155 -1.047 1.00 0.00 H new ATOM 0 HA LEU A 31 3.989 -12.817 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.295 -10.861 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.740 -10.461 0.190 1.00 0.00 H new ATOM 0 HG LEU A 31 3.610 -12.198 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.877 -10.289 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.291 -9.760 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.764 -9.410 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.074 -12.160 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.012 -11.304 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.387 -12.965 -0.782 1.00 0.00 H new ATOM 458 N LEU A 32 0.901 -11.814 1.617 1.00 0.00 N ATOM 459 CA LEU A 32 0.037 -11.449 2.742 1.00 0.00 C ATOM 460 C LEU A 32 -0.263 -12.740 3.481 1.00 0.00 C ATOM 461 O LEU A 32 -0.553 -13.745 2.832 1.00 0.00 O ATOM 462 CB LEU A 32 -1.300 -10.813 2.307 1.00 0.00 C ATOM 463 CG LEU A 32 -1.205 -9.881 1.089 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.538 -10.630 -0.202 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.175 -8.719 1.160 1.00 0.00 C ATOM 0 H LEU A 32 0.413 -11.869 0.723 1.00 0.00 H new ATOM 0 HA LEU A 32 0.550 -10.705 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.009 -11.610 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.708 -10.250 3.146 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.179 -9.513 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.463 -9.947 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.836 -11.453 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.552 -11.024 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.062 -8.096 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.195 -9.099 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.967 -8.125 2.050 1.00 0.00 H new ATOM 477 N VAL A 33 -0.246 -12.719 4.811 1.00 0.00 N ATOM 478 CA VAL A 33 -0.520 -13.918 5.600 1.00 0.00 C ATOM 479 C VAL A 33 -1.542 -13.632 6.693 1.00 0.00 C ATOM 480 O VAL A 33 -2.311 -14.535 7.043 1.00 0.00 O ATOM 481 CB VAL A 33 0.793 -14.505 6.161 1.00 0.00 C ATOM 482 CG1 VAL A 33 0.556 -15.860 6.837 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.842 -14.731 5.062 1.00 0.00 C ATOM 0 H VAL A 33 -0.046 -11.886 5.365 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.961 -14.673 4.950 1.00 0.00 H new ATOM 0 HB VAL A 33 1.156 -13.771 6.880 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.501 -16.245 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.147 -15.738 7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.146 -16.562 6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.748 -15.145 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.449 -15.427 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.074 -13.781 4.580 1.00 0.00 H new ATOM 493 N HIS A 34 -1.614 -12.402 7.209 1.00 0.00 N ATOM 494 CA HIS A 34 -2.544 -12.029 8.263 1.00 0.00 C ATOM 495 C HIS A 34 -3.380 -10.824 7.835 1.00 0.00 C ATOM 496 O HIS A 34 -2.954 -9.982 7.040 1.00 0.00 O ATOM 497 CB HIS A 34 -1.773 -11.735 9.561 1.00 0.00 C ATOM 498 CG HIS A 34 -0.838 -12.826 10.039 1.00 0.00 C ATOM 499 ND1 HIS A 34 0.337 -12.637 10.733 1.00 0.00 N ATOM 500 CD2 HIS A 34 -0.998 -14.178 9.883 1.00 0.00 C ATOM 501 CE1 HIS A 34 0.883 -13.845 10.956 1.00 0.00 C ATOM 502 NE2 HIS A 34 0.108 -14.818 10.450 1.00 0.00 N ATOM 0 H HIS A 34 -1.019 -11.633 6.899 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.225 -12.859 8.448 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.193 -10.824 9.417 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.496 -11.531 10.351 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.835 -14.665 9.404 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.817 -14.010 11.472 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.290 -15.821 10.474 1.00 0.00 H new ATOM 510 N SER A 35 -4.581 -10.721 8.394 1.00 0.00 N ATOM 511 CA SER A 35 -5.512 -9.641 8.117 1.00 0.00 C ATOM 512 C SER A 35 -4.873 -8.330 8.593 1.00 0.00 C ATOM 513 O SER A 35 -4.526 -8.209 9.771 1.00 0.00 O ATOM 514 CB SER A 35 -6.829 -9.973 8.813 1.00 0.00 C ATOM 515 OG SER A 35 -7.363 -11.169 8.262 1.00 0.00 O ATOM 0 H SER A 35 -4.938 -11.401 9.065 1.00 0.00 H new ATOM 0 HA SER A 35 -5.728 -9.523 7.055 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.667 -10.093 9.884 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.537 -9.154 8.687 1.00 0.00 H new ATOM 0 HG SER A 35 -8.269 -11.000 7.929 1.00 0.00 H new ATOM 521 N GLY A 36 -4.689 -7.354 7.698 1.00 0.00 N ATOM 522 CA GLY A 36 -4.069 -6.076 7.991 1.00 0.00 C ATOM 523 C GLY A 36 -2.750 -5.932 7.232 1.00 0.00 C ATOM 524 O GLY A 36 -2.253 -4.806 7.122 1.00 0.00 O ATOM 0 H GLY A 36 -4.979 -7.443 6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.744 -5.266 7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.890 -5.990 9.063 1.00 0.00 H new ATOM 528 N ASP A 37 -2.189 -7.033 6.716 1.00 0.00 N ATOM 529 CA ASP A 37 -0.946 -7.042 5.951 1.00 0.00 C ATOM 530 C ASP A 37 -1.213 -6.359 4.617 1.00 0.00 C ATOM 531 O ASP A 37 -2.217 -6.680 3.983 1.00 0.00 O ATOM 532 CB ASP A 37 -0.494 -8.476 5.599 1.00 0.00 C ATOM 533 CG ASP A 37 0.367 -9.187 6.629 1.00 0.00 C ATOM 534 OD1 ASP A 37 1.110 -8.507 7.375 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.375 -10.439 6.606 1.00 0.00 O ATOM 0 H ASP A 37 -2.600 -7.960 6.824 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.183 -6.550 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.384 -9.080 5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.058 -8.439 4.660 1.00 0.00 H new ATOM 540 N PHE A 38 -0.308 -5.506 4.128 1.00 0.00 N ATOM 541 CA PHE A 38 -0.433 -4.816 2.841 1.00 0.00 C ATOM 542 C PHE A 38 0.898 -4.748 2.080 1.00 0.00 C ATOM 543 O PHE A 38 1.964 -4.921 2.673 1.00 0.00 O ATOM 544 CB PHE A 38 -0.971 -3.388 3.044 1.00 0.00 C ATOM 545 CG PHE A 38 0.062 -2.370 3.495 1.00 0.00 C ATOM 546 CD1 PHE A 38 0.326 -2.178 4.861 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.797 -1.638 2.539 1.00 0.00 C ATOM 548 CE1 PHE A 38 1.326 -1.276 5.262 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.783 -0.725 2.944 1.00 0.00 C ATOM 550 CZ PHE A 38 2.052 -0.547 4.305 1.00 0.00 C ATOM 0 H PHE A 38 0.550 -5.271 4.627 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.134 -5.399 2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.412 -3.046 2.108 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.773 -3.420 3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.239 -2.723 5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.599 -1.781 1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.538 -1.142 6.313 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.333 -0.161 2.206 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.816 0.149 4.619 1.00 0.00 H new ATOM 560 N LEU A 39 0.830 -4.509 0.769 1.00 0.00 N ATOM 561 CA LEU A 39 1.935 -4.348 -0.174 1.00 0.00 C ATOM 562 C LEU A 39 1.409 -3.515 -1.352 1.00 0.00 C ATOM 563 O LEU A 39 0.195 -3.328 -1.482 1.00 0.00 O ATOM 564 CB LEU A 39 2.594 -5.687 -0.582 1.00 0.00 C ATOM 565 CG LEU A 39 1.910 -6.651 -1.580 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.444 -6.853 -1.224 1.00 0.00 C ATOM 567 CD2 LEU A 39 2.011 -6.224 -3.055 1.00 0.00 C ATOM 0 H LEU A 39 -0.073 -4.416 0.303 1.00 0.00 H new ATOM 0 HA LEU A 39 2.761 -3.816 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.574 -5.446 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.765 -6.249 0.336 1.00 0.00 H new ATOM 0 HG LEU A 39 2.464 -7.585 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.014 -7.535 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.368 -7.275 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.073 -5.894 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.504 -6.958 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.540 -5.249 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.060 -6.162 -3.345 1.00 0.00 H new ATOM 579 N VAL A 40 2.281 -2.996 -2.211 1.00 0.00 N ATOM 580 CA VAL A 40 1.921 -2.192 -3.379 1.00 0.00 C ATOM 581 C VAL A 40 2.599 -2.822 -4.589 1.00 0.00 C ATOM 582 O VAL A 40 3.759 -3.235 -4.510 1.00 0.00 O ATOM 583 CB VAL A 40 2.355 -0.722 -3.194 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.041 0.173 -4.406 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.688 -0.072 -1.972 1.00 0.00 C ATOM 0 H VAL A 40 3.288 -3.126 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 40 0.840 -2.180 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 40 3.435 -0.784 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.374 1.191 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.559 -0.210 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.967 0.173 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.023 0.961 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.605 -0.093 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.962 -0.622 -1.072 1.00 0.00 H new ATOM 595 N ARG A 41 1.883 -2.899 -5.711 1.00 0.00 N ATOM 596 CA ARG A 41 2.413 -3.453 -6.949 1.00 0.00 C ATOM 597 C ARG A 41 1.927 -2.613 -8.115 1.00 0.00 C ATOM 598 O ARG A 41 0.876 -1.983 -8.005 1.00 0.00 O ATOM 599 CB ARG A 41 2.014 -4.931 -7.088 1.00 0.00 C ATOM 600 CG ARG A 41 0.502 -5.182 -7.230 1.00 0.00 C ATOM 601 CD ARG A 41 0.259 -6.684 -7.085 1.00 0.00 C ATOM 602 NE ARG A 41 -1.153 -7.071 -7.276 1.00 0.00 N ATOM 603 CZ ARG A 41 -1.697 -7.564 -8.400 1.00 0.00 C ATOM 604 NH1 ARG A 41 -0.971 -7.691 -9.508 1.00 0.00 N ATOM 605 NH2 ARG A 41 -2.974 -7.943 -8.394 1.00 0.00 N ATOM 0 H ARG A 41 0.918 -2.577 -5.783 1.00 0.00 H new ATOM 0 HA ARG A 41 3.502 -3.421 -6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.520 -5.349 -7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.378 -5.474 -6.216 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.049 -4.631 -6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.146 -4.830 -8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.875 -7.216 -7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.585 -7.003 -6.095 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.775 -6.952 -6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.010 -7.412 -9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.396 -8.067 -10.356 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.527 -7.857 -7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.398 -8.319 -9.242 1.00 0.00 H new ATOM 619 N GLU A 42 2.701 -2.521 -9.188 1.00 0.00 N ATOM 620 CA GLU A 42 2.287 -1.758 -10.362 1.00 0.00 C ATOM 621 C GLU A 42 1.340 -2.663 -11.169 1.00 0.00 C ATOM 622 O GLU A 42 1.350 -3.888 -10.985 1.00 0.00 O ATOM 623 CB GLU A 42 3.521 -1.328 -11.172 1.00 0.00 C ATOM 624 CG GLU A 42 3.196 -0.159 -12.115 1.00 0.00 C ATOM 625 CD GLU A 42 4.312 0.079 -13.132 1.00 0.00 C ATOM 626 OE1 GLU A 42 4.397 -0.706 -14.109 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.088 1.044 -12.977 1.00 0.00 O ATOM 0 H GLU A 42 3.616 -2.963 -9.272 1.00 0.00 H new ATOM 0 HA GLU A 42 1.767 -0.840 -10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.321 -1.036 -10.491 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.889 -2.174 -11.753 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.264 -0.365 -12.641 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.039 0.747 -11.530 1.00 0.00 H new ATOM 634 N SER A 43 0.495 -2.105 -12.044 1.00 0.00 N ATOM 635 CA SER A 43 -0.401 -2.924 -12.848 1.00 0.00 C ATOM 636 C SER A 43 0.417 -3.808 -13.808 1.00 0.00 C ATOM 637 O SER A 43 1.599 -3.556 -14.047 1.00 0.00 O ATOM 638 CB SER A 43 -1.371 -2.009 -13.600 1.00 0.00 C ATOM 639 OG SER A 43 -2.375 -2.735 -14.273 1.00 0.00 O ATOM 0 H SER A 43 0.418 -1.101 -12.208 1.00 0.00 H new ATOM 0 HA SER A 43 -0.983 -3.589 -12.210 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.835 -1.318 -12.897 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.816 -1.407 -14.320 1.00 0.00 H new ATOM 0 HG SER A 43 -2.973 -2.113 -14.738 1.00 0.00 H new ATOM 645 N GLN A 44 -0.213 -4.836 -14.388 1.00 0.00 N ATOM 646 CA GLN A 44 0.446 -5.749 -15.325 1.00 0.00 C ATOM 647 C GLN A 44 0.935 -5.012 -16.587 1.00 0.00 C ATOM 648 O GLN A 44 1.835 -5.509 -17.267 1.00 0.00 O ATOM 649 CB GLN A 44 -0.507 -6.923 -15.654 1.00 0.00 C ATOM 650 CG GLN A 44 0.087 -7.940 -16.648 1.00 0.00 C ATOM 651 CD GLN A 44 -0.796 -9.155 -16.936 1.00 0.00 C ATOM 652 OE1 GLN A 44 -1.704 -9.513 -16.190 1.00 0.00 O ATOM 653 NE2 GLN A 44 -0.542 -9.841 -18.035 1.00 0.00 N ATOM 0 H GLN A 44 -1.194 -5.057 -14.220 1.00 0.00 H new ATOM 0 HA GLN A 44 1.341 -6.159 -14.857 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.766 -7.440 -14.730 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.434 -6.523 -16.066 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.293 -7.428 -17.588 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.044 -8.289 -16.259 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.211 -9.547 -18.657 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.099 -10.665 -18.262 1.00 0.00 H new ATOM 662 N GLY A 45 0.391 -3.832 -16.906 1.00 0.00 N ATOM 663 CA GLY A 45 0.799 -3.087 -18.088 1.00 0.00 C ATOM 664 C GLY A 45 0.449 -1.606 -18.084 1.00 0.00 C ATOM 665 O GLY A 45 0.387 -1.021 -19.166 1.00 0.00 O ATOM 0 H GLY A 45 -0.336 -3.376 -16.355 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.878 -3.187 -18.204 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.340 -3.548 -18.963 1.00 0.00 H new ATOM 669 N LYS A 46 0.144 -0.999 -16.937 1.00 0.00 N ATOM 670 CA LYS A 46 -0.182 0.410 -16.831 1.00 0.00 C ATOM 671 C LYS A 46 0.636 0.951 -15.669 1.00 0.00 C ATOM 672 O LYS A 46 0.767 0.265 -14.654 1.00 0.00 O ATOM 673 CB LYS A 46 -1.693 0.553 -16.598 1.00 0.00 C ATOM 674 CG LYS A 46 -2.108 2.014 -16.416 1.00 0.00 C ATOM 675 CD LYS A 46 -3.570 2.115 -16.004 1.00 0.00 C ATOM 676 CE LYS A 46 -3.878 3.606 -15.828 1.00 0.00 C ATOM 677 NZ LYS A 46 -5.188 3.870 -15.215 1.00 0.00 N ATOM 0 H LYS A 46 0.118 -1.488 -16.043 1.00 0.00 H new ATOM 0 HA LYS A 46 0.055 0.971 -17.735 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.232 0.125 -17.443 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.980 -0.018 -15.715 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.479 2.483 -15.659 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.949 2.560 -17.346 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.217 1.673 -16.762 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.749 1.571 -15.076 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.101 4.058 -15.212 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.837 4.094 -16.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.280 4.887 -15.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.942 3.574 -15.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.269 3.336 -14.326 1.00 0.00 H new ATOM 691 N GLN A 47 1.098 2.191 -15.774 1.00 0.00 N ATOM 692 CA GLN A 47 1.891 2.902 -14.778 1.00 0.00 C ATOM 693 C GLN A 47 1.036 3.335 -13.557 1.00 0.00 C ATOM 694 O GLN A 47 1.218 4.425 -13.005 1.00 0.00 O ATOM 695 CB GLN A 47 2.522 4.098 -15.513 1.00 0.00 C ATOM 696 CG GLN A 47 3.694 4.716 -14.741 1.00 0.00 C ATOM 697 CD GLN A 47 3.679 6.244 -14.754 1.00 0.00 C ATOM 698 OE1 GLN A 47 2.665 6.882 -14.469 1.00 0.00 O ATOM 699 NE2 GLN A 47 4.794 6.877 -15.059 1.00 0.00 N ATOM 0 H GLN A 47 0.920 2.759 -16.602 1.00 0.00 H new ATOM 0 HA GLN A 47 2.664 2.260 -14.356 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.869 3.774 -16.494 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.760 4.860 -15.680 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.666 4.367 -13.709 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.631 4.364 -15.172 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.633 6.347 -15.295 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.818 7.897 -15.059 1.00 0.00 H new ATOM 708 N GLU A 48 0.062 2.522 -13.134 1.00 0.00 N ATOM 709 CA GLU A 48 -0.834 2.795 -12.019 1.00 0.00 C ATOM 710 C GLU A 48 -0.671 1.731 -10.941 1.00 0.00 C ATOM 711 O GLU A 48 -0.934 0.549 -11.174 1.00 0.00 O ATOM 712 CB GLU A 48 -2.272 2.886 -12.535 1.00 0.00 C ATOM 713 CG GLU A 48 -3.253 3.320 -11.433 1.00 0.00 C ATOM 714 CD GLU A 48 -4.578 3.820 -12.012 1.00 0.00 C ATOM 715 OE1 GLU A 48 -5.352 3.012 -12.571 1.00 0.00 O ATOM 716 OE2 GLU A 48 -4.840 5.045 -11.971 1.00 0.00 O ATOM 0 H GLU A 48 -0.126 1.624 -13.579 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.582 3.752 -11.561 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.317 3.596 -13.361 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.577 1.917 -12.931 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.443 2.480 -10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.799 4.108 -10.833 1.00 0.00 H new ATOM 723 N TYR A 49 -0.228 2.169 -9.765 1.00 0.00 N ATOM 724 CA TYR A 49 -0.005 1.324 -8.605 1.00 0.00 C ATOM 725 C TYR A 49 -1.321 0.786 -8.039 1.00 0.00 C ATOM 726 O TYR A 49 -2.379 1.411 -8.157 1.00 0.00 O ATOM 727 CB TYR A 49 0.767 2.126 -7.553 1.00 0.00 C ATOM 728 CG TYR A 49 2.069 2.725 -8.052 1.00 0.00 C ATOM 729 CD1 TYR A 49 3.079 1.892 -8.572 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.268 4.118 -8.004 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.289 2.444 -9.026 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.481 4.676 -8.443 1.00 0.00 C ATOM 733 CZ TYR A 49 4.504 3.836 -8.939 1.00 0.00 C ATOM 734 OH TYR A 49 5.679 4.395 -9.329 1.00 0.00 O ATOM 0 H TYR A 49 -0.009 3.150 -9.593 1.00 0.00 H new ATOM 0 HA TYR A 49 0.582 0.455 -8.902 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.129 2.930 -7.186 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.982 1.477 -6.704 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.923 0.825 -8.622 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.485 4.760 -7.628 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.053 1.804 -9.441 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.631 5.745 -8.401 1.00 0.00 H new ATOM 0 HH TYR A 49 5.640 5.365 -9.196 1.00 0.00 H new ATOM 744 N VAL A 50 -1.225 -0.330 -7.324 1.00 0.00 N ATOM 745 CA VAL A 50 -2.322 -1.046 -6.706 1.00 0.00 C ATOM 746 C VAL A 50 -1.917 -1.495 -5.309 1.00 0.00 C ATOM 747 O VAL A 50 -0.899 -2.169 -5.157 1.00 0.00 O ATOM 748 CB VAL A 50 -2.655 -2.283 -7.570 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.811 -3.090 -6.963 1.00 0.00 C ATOM 750 CG2 VAL A 50 -2.998 -1.907 -9.015 1.00 0.00 C ATOM 0 H VAL A 50 -0.326 -0.780 -7.154 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.194 -0.397 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.755 -2.898 -7.583 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.022 -3.954 -7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.534 -3.428 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.699 -2.462 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.224 -2.810 -9.582 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.865 -1.246 -9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.149 -1.397 -9.470 1.00 0.00 H new ATOM 760 N LEU A 51 -2.667 -1.073 -4.291 1.00 0.00 N ATOM 761 CA LEU A 51 -2.423 -1.486 -2.919 1.00 0.00 C ATOM 762 C LEU A 51 -3.133 -2.826 -2.821 1.00 0.00 C ATOM 763 O LEU A 51 -4.265 -2.961 -3.290 1.00 0.00 O ATOM 764 CB LEU A 51 -3.098 -0.538 -1.918 1.00 0.00 C ATOM 765 CG LEU A 51 -2.833 -0.872 -0.437 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.413 -0.499 -0.023 1.00 0.00 C ATOM 767 CD2 LEU A 51 -3.835 -0.168 0.485 1.00 0.00 C ATOM 0 H LEU A 51 -3.457 -0.437 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.357 -1.506 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.757 0.479 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.174 -0.552 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.956 -1.950 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.263 -0.749 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.699 -1.052 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.261 0.571 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.619 -0.426 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.753 0.911 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.847 -0.488 0.235 1.00 0.00 H new ATOM 779 N SER A 52 -2.500 -3.827 -2.240 1.00 0.00 N ATOM 780 CA SER A 52 -3.097 -5.128 -2.070 1.00 0.00 C ATOM 781 C SER A 52 -2.965 -5.408 -0.581 1.00 0.00 C ATOM 782 O SER A 52 -1.892 -5.215 -0.013 1.00 0.00 O ATOM 783 CB SER A 52 -2.430 -6.103 -3.041 1.00 0.00 C ATOM 784 OG SER A 52 -2.866 -7.429 -2.850 1.00 0.00 O ATOM 0 H SER A 52 -1.551 -3.755 -1.872 1.00 0.00 H new ATOM 0 HA SER A 52 -4.153 -5.219 -2.325 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.644 -5.796 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.348 -6.056 -2.914 1.00 0.00 H new ATOM 0 HG SER A 52 -3.777 -7.527 -3.198 1.00 0.00 H new ATOM 790 N VAL A 53 -4.063 -5.757 0.080 1.00 0.00 N ATOM 791 CA VAL A 53 -4.054 -6.064 1.504 1.00 0.00 C ATOM 792 C VAL A 53 -4.955 -7.272 1.744 1.00 0.00 C ATOM 793 O VAL A 53 -5.779 -7.601 0.893 1.00 0.00 O ATOM 794 CB VAL A 53 -4.407 -4.847 2.389 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.241 -3.468 1.753 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.791 -4.887 2.971 1.00 0.00 C ATOM 0 H VAL A 53 -4.982 -5.835 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.039 -6.318 1.809 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.652 -4.962 3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.520 -2.699 2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.202 -3.327 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.883 -3.392 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.956 -3.997 3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.524 -4.918 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.898 -5.775 3.593 1.00 0.00 H new ATOM 806 N LEU A 54 -4.797 -7.959 2.870 1.00 0.00 N ATOM 807 CA LEU A 54 -5.612 -9.115 3.227 1.00 0.00 C ATOM 808 C LEU A 54 -6.439 -8.680 4.423 1.00 0.00 C ATOM 809 O LEU A 54 -5.915 -7.952 5.269 1.00 0.00 O ATOM 810 CB LEU A 54 -4.712 -10.316 3.534 1.00 0.00 C ATOM 811 CG LEU A 54 -5.475 -11.576 3.978 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.496 -12.052 2.935 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.467 -12.696 4.208 1.00 0.00 C ATOM 0 H LEU A 54 -4.091 -7.726 3.569 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.267 -9.436 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.126 -10.553 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.006 -10.037 4.317 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.022 -11.325 4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.003 -12.944 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.229 -11.265 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.982 -12.286 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.991 -13.598 4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.927 -12.895 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.761 -12.397 4.983 1.00 0.00 H new ATOM 825 N TRP A 55 -7.704 -9.098 4.522 1.00 0.00 N ATOM 826 CA TRP A 55 -8.503 -8.669 5.670 1.00 0.00 C ATOM 827 C TRP A 55 -9.585 -9.635 6.119 1.00 0.00 C ATOM 828 O TRP A 55 -9.837 -9.754 7.316 1.00 0.00 O ATOM 829 CB TRP A 55 -9.166 -7.339 5.310 1.00 0.00 C ATOM 830 CG TRP A 55 -9.892 -6.697 6.446 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.224 -6.769 6.666 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.346 -5.922 7.550 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.540 -6.087 7.820 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.413 -5.576 8.430 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.052 -5.486 7.897 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.195 -4.871 9.622 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -7.828 -4.746 9.070 1.00 0.00 C ATOM 838 CH2 TRP A 55 -8.894 -4.442 9.938 1.00 0.00 C ATOM 0 H TRP A 55 -8.179 -9.705 3.854 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.809 -8.600 6.508 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.403 -6.651 4.944 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -9.866 -7.503 4.491 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -11.932 -7.283 6.033 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.488 -5.974 8.179 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.220 -5.724 7.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.017 -4.660 10.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.830 -4.408 9.308 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.713 -3.881 10.843 1.00 0.00 H new ATOM 849 N ASP A 56 -10.230 -10.319 5.181 1.00 0.00 N ATOM 850 CA ASP A 56 -11.310 -11.241 5.499 1.00 0.00 C ATOM 851 C ASP A 56 -11.228 -12.400 4.519 1.00 0.00 C ATOM 852 O ASP A 56 -11.999 -12.471 3.564 1.00 0.00 O ATOM 853 CB ASP A 56 -12.608 -10.432 5.446 1.00 0.00 C ATOM 854 CG ASP A 56 -13.886 -11.235 5.635 1.00 0.00 C ATOM 855 OD1 ASP A 56 -13.874 -12.341 6.209 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.945 -10.685 5.253 1.00 0.00 O ATOM 0 H ASP A 56 -10.020 -10.250 4.185 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.252 -11.684 6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.567 -9.660 6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.659 -9.921 4.484 1.00 0.00 H new ATOM 861 N GLY A 57 -10.172 -13.212 4.669 1.00 0.00 N ATOM 862 CA GLY A 57 -9.856 -14.395 3.868 1.00 0.00 C ATOM 863 C GLY A 57 -9.728 -14.178 2.355 1.00 0.00 C ATOM 864 O GLY A 57 -9.534 -15.153 1.623 1.00 0.00 O ATOM 0 H GLY A 57 -9.477 -13.048 5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.919 -14.815 4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.630 -15.142 4.042 1.00 0.00 H new ATOM 868 N LEU A 58 -9.765 -12.930 1.890 1.00 0.00 N ATOM 869 CA LEU A 58 -9.697 -12.508 0.499 1.00 0.00 C ATOM 870 C LEU A 58 -8.728 -11.336 0.348 1.00 0.00 C ATOM 871 O LEU A 58 -8.969 -10.305 0.984 1.00 0.00 O ATOM 872 CB LEU A 58 -11.113 -12.031 0.113 1.00 0.00 C ATOM 873 CG LEU A 58 -11.229 -11.314 -1.250 1.00 0.00 C ATOM 874 CD1 LEU A 58 -11.053 -12.272 -2.428 1.00 0.00 C ATOM 875 CD2 LEU A 58 -12.596 -10.631 -1.330 1.00 0.00 C ATOM 0 H LEU A 58 -9.849 -12.135 2.523 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.353 -13.327 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.778 -12.894 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.474 -11.357 0.890 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.427 -10.579 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.143 -11.719 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.069 -12.737 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.822 -13.044 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.692 -10.120 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.383 -11.380 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.688 -9.906 -0.521 1.00 0.00 H new ATOM 887 N PRO A 59 -7.665 -11.442 -0.467 1.00 0.00 N ATOM 888 CA PRO A 59 -6.746 -10.337 -0.676 1.00 0.00 C ATOM 889 C PRO A 59 -7.482 -9.271 -1.507 1.00 0.00 C ATOM 890 O PRO A 59 -7.896 -9.502 -2.643 1.00 0.00 O ATOM 891 CB PRO A 59 -5.530 -10.935 -1.384 1.00 0.00 C ATOM 892 CG PRO A 59 -6.109 -12.119 -2.155 1.00 0.00 C ATOM 893 CD PRO A 59 -7.249 -12.597 -1.254 1.00 0.00 C ATOM 0 HA PRO A 59 -6.410 -9.848 0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.060 -10.213 -2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.768 -11.254 -0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.471 -11.821 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.365 -12.900 -2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.078 -12.981 -1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.918 -13.409 -0.607 1.00 0.00 H new ATOM 901 N ARG A 60 -7.767 -8.123 -0.901 1.00 0.00 N ATOM 902 CA ARG A 60 -8.450 -6.996 -1.516 1.00 0.00 C ATOM 903 C ARG A 60 -7.414 -6.168 -2.275 1.00 0.00 C ATOM 904 O ARG A 60 -6.323 -5.934 -1.751 1.00 0.00 O ATOM 905 CB ARG A 60 -9.087 -6.147 -0.403 1.00 0.00 C ATOM 906 CG ARG A 60 -10.023 -6.899 0.562 1.00 0.00 C ATOM 907 CD ARG A 60 -11.272 -7.496 -0.094 1.00 0.00 C ATOM 908 NE ARG A 60 -12.193 -6.464 -0.606 1.00 0.00 N ATOM 909 CZ ARG A 60 -12.379 -6.119 -1.886 1.00 0.00 C ATOM 910 NH1 ARG A 60 -11.807 -6.806 -2.870 1.00 0.00 N ATOM 911 NH2 ARG A 60 -13.121 -5.068 -2.211 1.00 0.00 N ATOM 0 H ARG A 60 -7.517 -7.948 0.072 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.226 -7.333 -2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.288 -5.688 0.180 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.649 -5.337 -0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.461 -7.702 1.040 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.335 -6.215 1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.971 -8.148 -0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.797 -8.118 0.631 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.746 -5.961 0.088 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.216 -7.609 -2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.959 -6.530 -3.840 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.560 -4.508 -1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.252 -4.820 -3.192 1.00 0.00 H new ATOM 925 N HIS A 61 -7.729 -5.696 -3.482 1.00 0.00 N ATOM 926 CA HIS A 61 -6.813 -4.885 -4.279 1.00 0.00 C ATOM 927 C HIS A 61 -7.438 -3.508 -4.516 1.00 0.00 C ATOM 928 O HIS A 61 -8.332 -3.357 -5.354 1.00 0.00 O ATOM 929 CB HIS A 61 -6.445 -5.586 -5.588 1.00 0.00 C ATOM 930 CG HIS A 61 -6.025 -7.027 -5.455 1.00 0.00 C ATOM 931 ND1 HIS A 61 -4.998 -7.566 -4.707 1.00 0.00 N ATOM 932 CD2 HIS A 61 -6.659 -8.061 -6.074 1.00 0.00 C ATOM 933 CE1 HIS A 61 -4.990 -8.894 -4.916 1.00 0.00 C ATOM 934 NE2 HIS A 61 -5.966 -9.234 -5.771 1.00 0.00 N ATOM 0 H HIS A 61 -8.628 -5.866 -3.933 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.879 -4.751 -3.733 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.301 -5.536 -6.260 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.635 -5.032 -6.062 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.542 -7.987 -6.691 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.298 -9.587 -4.461 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.163 -10.168 -6.130 1.00 0.00 H new ATOM 942 N PHE A 62 -7.005 -2.512 -3.748 1.00 0.00 N ATOM 943 CA PHE A 62 -7.468 -1.133 -3.803 1.00 0.00 C ATOM 944 C PHE A 62 -6.514 -0.332 -4.695 1.00 0.00 C ATOM 945 O PHE A 62 -5.412 0.042 -4.281 1.00 0.00 O ATOM 946 CB PHE A 62 -7.552 -0.570 -2.377 1.00 0.00 C ATOM 947 CG PHE A 62 -8.455 -1.342 -1.431 1.00 0.00 C ATOM 948 CD1 PHE A 62 -9.847 -1.120 -1.423 1.00 0.00 C ATOM 949 CD2 PHE A 62 -7.896 -2.267 -0.528 1.00 0.00 C ATOM 950 CE1 PHE A 62 -10.669 -1.805 -0.509 1.00 0.00 C ATOM 951 CE2 PHE A 62 -8.716 -2.934 0.399 1.00 0.00 C ATOM 952 CZ PHE A 62 -10.103 -2.708 0.406 1.00 0.00 C ATOM 0 H PHE A 62 -6.287 -2.654 -3.037 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.466 -1.068 -4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.548 -0.543 -1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.904 0.460 -2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.284 -0.422 -2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.834 -2.465 -0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.736 -1.636 -0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.279 -3.622 1.108 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.732 -3.228 1.113 1.00 0.00 H new ATOM 962 N ILE A 63 -6.906 -0.126 -5.952 1.00 0.00 N ATOM 963 CA ILE A 63 -6.133 0.619 -6.943 1.00 0.00 C ATOM 964 C ILE A 63 -6.015 2.058 -6.435 1.00 0.00 C ATOM 965 O ILE A 63 -7.047 2.681 -6.183 1.00 0.00 O ATOM 966 CB ILE A 63 -6.840 0.560 -8.313 1.00 0.00 C ATOM 967 CG1 ILE A 63 -7.117 -0.885 -8.791 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.027 1.328 -9.374 1.00 0.00 C ATOM 969 CD1 ILE A 63 -8.254 -0.914 -9.814 1.00 0.00 C ATOM 0 H ILE A 63 -7.790 -0.481 -6.317 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.139 0.191 -7.076 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.811 1.038 -8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.214 -1.305 -9.233 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.375 -1.511 -7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.541 1.276 -10.334 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.928 2.371 -9.072 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.037 0.881 -9.467 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.429 -1.941 -10.134 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.162 -0.515 -9.361 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.983 -0.306 -10.677 1.00 0.00 H new ATOM 981 N ILE A 64 -4.798 2.576 -6.237 1.00 0.00 N ATOM 982 CA ILE A 64 -4.624 3.946 -5.758 1.00 0.00 C ATOM 983 C ILE A 64 -5.064 4.893 -6.875 1.00 0.00 C ATOM 984 O ILE A 64 -4.505 4.844 -7.975 1.00 0.00 O ATOM 985 CB ILE A 64 -3.176 4.234 -5.302 1.00 0.00 C ATOM 986 CG1 ILE A 64 -2.681 3.259 -4.208 1.00 0.00 C ATOM 987 CG2 ILE A 64 -3.112 5.660 -4.732 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.682 2.238 -4.743 1.00 0.00 C ATOM 0 H ILE A 64 -3.927 2.070 -6.400 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.240 4.099 -4.872 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.535 4.110 -6.175 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.218 3.828 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.535 2.736 -3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.095 5.876 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.406 6.373 -5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.790 5.743 -3.883 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.367 1.579 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.151 1.648 -5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.813 2.757 -5.147 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.081 5.715 -6.618 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.575 6.670 -7.597 1.00 0.00 C ATOM 1002 C GLN A 65 -5.739 7.951 -7.481 1.00 0.00 C ATOM 1003 O GLN A 65 -5.219 8.254 -6.407 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.069 6.961 -7.365 1.00 0.00 C ATOM 1005 CG GLN A 65 -8.972 5.719 -7.287 1.00 0.00 C ATOM 1006 CD GLN A 65 -8.893 4.834 -8.530 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -9.185 5.251 -9.649 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -8.509 3.582 -8.386 1.00 0.00 N ATOM 0 H GLN A 65 -6.580 5.734 -5.729 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.479 6.260 -8.602 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.173 7.526 -6.438 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.428 7.602 -8.171 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.694 5.131 -6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.004 6.038 -7.142 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.265 3.227 -7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.456 2.968 -9.199 1.00 0.00 H new ATOM 1017 N SER A 66 -5.642 8.719 -8.562 1.00 0.00 N ATOM 1018 CA SER A 66 -4.915 9.979 -8.686 1.00 0.00 C ATOM 1019 C SER A 66 -5.786 10.876 -9.547 1.00 0.00 C ATOM 1020 O SER A 66 -6.219 10.460 -10.628 1.00 0.00 O ATOM 1021 CB SER A 66 -3.575 9.712 -9.383 1.00 0.00 C ATOM 1022 OG SER A 66 -2.865 10.911 -9.661 1.00 0.00 O ATOM 0 H SER A 66 -6.101 8.460 -9.435 1.00 0.00 H new ATOM 0 HA SER A 66 -4.711 10.439 -7.719 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.962 9.067 -8.753 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.753 9.173 -10.314 1.00 0.00 H new ATOM 0 HG SER A 66 -2.018 10.694 -10.103 1.00 0.00 H new ATOM 1028 N LEU A 67 -6.072 12.090 -9.079 1.00 0.00 N ATOM 1029 CA LEU A 67 -6.883 13.037 -9.833 1.00 0.00 C ATOM 1030 C LEU A 67 -6.117 14.341 -9.916 1.00 0.00 C ATOM 1031 O LEU A 67 -5.309 14.517 -10.829 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.302 13.165 -9.244 1.00 0.00 C ATOM 1033 CG LEU A 67 -9.235 14.064 -10.080 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -9.291 13.665 -11.561 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -10.648 13.964 -9.513 1.00 0.00 C ATOM 0 H LEU A 67 -5.751 12.440 -8.176 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.054 12.683 -10.850 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.744 12.172 -9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.233 13.567 -8.233 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.836 15.077 -10.023 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.965 14.336 -12.093 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.293 13.733 -11.994 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.655 12.641 -11.649 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.319 14.595 -10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.988 12.930 -9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.648 14.295 -8.475 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.321 15.217 -8.941 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.717 16.529 -8.793 1.00 0.00 C ATOM 1049 C ASP A 68 -4.299 16.412 -8.235 1.00 0.00 C ATOM 1050 O ASP A 68 -3.966 17.063 -7.251 1.00 0.00 O ATOM 1051 CB ASP A 68 -6.634 17.389 -7.905 1.00 0.00 C ATOM 1052 CG ASP A 68 -6.804 16.868 -6.473 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -7.399 15.776 -6.303 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -6.416 17.569 -5.512 1.00 0.00 O ATOM 0 H ASP A 68 -6.963 15.010 -8.176 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.620 17.016 -9.763 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.233 18.402 -7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.616 17.453 -8.374 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.441 15.591 -8.855 1.00 0.00 N ATOM 1060 CA ASN A 69 -2.043 15.337 -8.457 1.00 0.00 C ATOM 1061 C ASN A 69 -1.934 14.643 -7.088 1.00 0.00 C ATOM 1062 O ASN A 69 -0.840 14.239 -6.694 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.204 16.637 -8.565 1.00 0.00 C ATOM 1064 CG ASN A 69 0.087 16.692 -7.743 1.00 0.00 C ATOM 1065 OD1 ASN A 69 0.147 17.411 -6.747 1.00 0.00 O ATOM 1066 ND2 ASN A 69 1.164 16.052 -8.163 1.00 0.00 N ATOM 0 H ASN A 69 -3.710 15.061 -9.684 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.614 14.623 -9.160 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.947 16.790 -9.613 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.834 17.475 -8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.046 16.154 -7.661 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.113 15.456 -8.989 1.00 0.00 H new ATOM 1073 N LEU A 70 -3.041 14.416 -6.377 1.00 0.00 N ATOM 1074 CA LEU A 70 -3.056 13.787 -5.070 1.00 0.00 C ATOM 1075 C LEU A 70 -3.626 12.387 -5.207 1.00 0.00 C ATOM 1076 O LEU A 70 -4.612 12.169 -5.918 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.855 14.625 -4.050 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.994 15.710 -3.369 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.681 16.894 -4.285 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.654 16.256 -2.105 1.00 0.00 C ATOM 0 H LEU A 70 -3.970 14.674 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.037 13.724 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.697 15.098 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.270 13.965 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.063 15.202 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.073 17.620 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.135 16.542 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.612 17.364 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.013 17.017 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.618 16.697 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.803 15.444 -1.393 1.00 0.00 H new ATOM 1092 N TYR A 71 -2.957 11.451 -4.544 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.320 10.050 -4.505 1.00 0.00 C ATOM 1094 C TYR A 71 -4.273 9.852 -3.342 1.00 0.00 C ATOM 1095 O TYR A 71 -3.933 10.260 -2.230 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.081 9.198 -4.247 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.096 9.202 -5.384 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.421 8.576 -6.598 1.00 0.00 C ATOM 1099 CD2 TYR A 71 0.151 9.816 -5.217 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.494 8.564 -7.650 1.00 0.00 C ATOM 1101 CE2 TYR A 71 1.093 9.781 -6.254 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.770 9.174 -7.488 1.00 0.00 C ATOM 1103 OH TYR A 71 1.643 9.219 -8.529 1.00 0.00 O ATOM 0 H TYR A 71 -2.119 11.660 -4.002 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.773 9.759 -5.453 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.584 9.559 -3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.391 8.172 -4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.384 8.104 -6.721 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.387 10.316 -4.289 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.747 8.088 -8.586 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.069 10.220 -6.109 1.00 0.00 H new ATOM 0 HH TYR A 71 2.464 9.674 -8.248 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.435 9.244 -3.571 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.424 8.993 -2.526 1.00 0.00 C ATOM 1115 C ARG A 72 -7.257 7.772 -2.864 1.00 0.00 C ATOM 1116 O ARG A 72 -7.240 7.280 -3.992 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.319 10.227 -2.335 1.00 0.00 C ATOM 1118 CG ARG A 72 -8.203 10.563 -3.537 1.00 0.00 C ATOM 1119 CD ARG A 72 -9.639 10.059 -3.375 1.00 0.00 C ATOM 1120 NE ARG A 72 -10.527 10.667 -4.369 1.00 0.00 N ATOM 1121 CZ ARG A 72 -10.914 11.948 -4.403 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -10.578 12.785 -3.422 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -11.629 12.380 -5.432 1.00 0.00 N ATOM 0 H ARG A 72 -5.718 8.910 -4.492 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.901 8.798 -1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.956 10.067 -1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.687 11.087 -2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.216 11.643 -3.682 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.768 10.126 -4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.661 8.974 -3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.998 10.291 -2.372 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.884 10.057 -5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.021 12.451 -2.635 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.878 13.759 -3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.878 11.739 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.931 13.354 -5.471 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.016 7.317 -1.875 1.00 0.00 N ATOM 1138 CA LEU A 73 -8.909 6.171 -1.928 1.00 0.00 C ATOM 1139 C LEU A 73 -10.167 6.561 -1.171 1.00 0.00 C ATOM 1140 O LEU A 73 -10.239 6.412 0.045 1.00 0.00 O ATOM 1141 CB LEU A 73 -8.309 4.942 -1.237 1.00 0.00 C ATOM 1142 CG LEU A 73 -7.173 4.188 -1.931 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -7.518 3.797 -3.366 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -5.827 4.919 -1.881 1.00 0.00 C ATOM 0 H LEU A 73 -8.023 7.767 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.097 5.914 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.946 5.257 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.118 4.233 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.057 3.273 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.677 3.265 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.396 3.152 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.727 4.695 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.071 4.324 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.921 5.888 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.531 5.066 -0.842 1.00 0.00 H new ATOM 1156 N GLU A 74 -11.147 7.095 -1.882 1.00 0.00 N ATOM 1157 CA GLU A 74 -12.433 7.551 -1.352 1.00 0.00 C ATOM 1158 C GLU A 74 -12.373 8.667 -0.285 1.00 0.00 C ATOM 1159 O GLU A 74 -13.434 9.215 0.026 1.00 0.00 O ATOM 1160 CB GLU A 74 -13.264 6.363 -0.822 1.00 0.00 C ATOM 1161 CG GLU A 74 -13.894 5.478 -1.906 1.00 0.00 C ATOM 1162 CD GLU A 74 -15.323 5.122 -1.491 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -15.571 4.148 -0.738 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -16.235 5.914 -1.821 1.00 0.00 O ATOM 0 H GLU A 74 -11.070 7.231 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.919 8.011 -2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.624 5.743 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.058 6.750 -0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.899 6.001 -2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.304 4.571 -2.041 1.00 0.00 H new ATOM 1171 N GLY A 75 -11.200 9.071 0.212 1.00 0.00 N ATOM 1172 CA GLY A 75 -11.028 10.094 1.234 1.00 0.00 C ATOM 1173 C GLY A 75 -10.052 11.181 0.799 1.00 0.00 C ATOM 1174 O GLY A 75 -10.099 11.657 -0.344 1.00 0.00 O ATOM 0 H GLY A 75 -10.314 8.676 -0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.994 10.545 1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.668 9.631 2.153 1.00 0.00 H new ATOM 1178 N GLU A 76 -9.253 11.652 1.756 1.00 0.00 N ATOM 1179 CA GLU A 76 -8.243 12.684 1.561 1.00 0.00 C ATOM 1180 C GLU A 76 -7.061 12.092 0.799 1.00 0.00 C ATOM 1181 O GLU A 76 -6.864 10.874 0.821 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.772 13.199 2.934 1.00 0.00 C ATOM 1183 CG GLU A 76 -7.516 14.704 2.887 1.00 0.00 C ATOM 1184 CD GLU A 76 -7.406 15.314 4.277 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -8.453 15.602 4.896 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -6.274 15.512 4.770 1.00 0.00 O ATOM 0 H GLU A 76 -9.295 11.313 2.717 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.664 13.512 0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.526 12.977 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.861 12.679 3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.597 14.897 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.324 15.191 2.342 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.244 12.935 0.167 1.00 0.00 N ATOM 1194 CA GLY A 77 -5.094 12.467 -0.583 1.00 0.00 C ATOM 1195 C GLY A 77 -3.813 13.161 -0.180 1.00 0.00 C ATOM 1196 O GLY A 77 -3.806 14.063 0.661 1.00 0.00 O ATOM 0 H GLY A 77 -6.364 13.948 0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.982 11.393 -0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.270 12.627 -1.647 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.722 12.741 -0.814 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.392 13.278 -0.584 1.00 0.00 C ATOM 1202 C PHE A 78 -0.640 13.377 -1.904 1.00 0.00 C ATOM 1203 O PHE A 78 -0.944 12.627 -2.837 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.618 12.360 0.360 1.00 0.00 C ATOM 1205 CG PHE A 78 -1.018 12.496 1.808 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -2.174 11.856 2.288 1.00 0.00 C ATOM 1207 CD2 PHE A 78 -0.244 13.289 2.674 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.547 11.998 3.629 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.598 13.397 4.023 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.752 12.761 4.500 1.00 0.00 C ATOM 0 H PHE A 78 -2.742 12.002 -1.516 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.485 14.268 -0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.766 11.326 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.447 12.572 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.774 11.255 1.621 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.622 13.814 2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.445 11.522 3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.019 13.971 4.698 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.031 12.858 5.539 1.00 0.00 H new ATOM 1220 N PRO A 79 0.393 14.232 -1.984 1.00 0.00 N ATOM 1221 CA PRO A 79 1.179 14.416 -3.195 1.00 0.00 C ATOM 1222 C PRO A 79 2.026 13.195 -3.568 1.00 0.00 C ATOM 1223 O PRO A 79 2.623 13.195 -4.643 1.00 0.00 O ATOM 1224 CB PRO A 79 2.059 15.636 -2.913 1.00 0.00 C ATOM 1225 CG PRO A 79 2.218 15.634 -1.397 1.00 0.00 C ATOM 1226 CD PRO A 79 0.843 15.157 -0.949 1.00 0.00 C ATOM 0 HA PRO A 79 0.525 14.557 -4.055 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.023 15.557 -3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.591 16.556 -3.264 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.012 14.963 -1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.456 16.624 -1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.896 14.664 0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.153 15.994 -0.844 1.00 0.00 H new ATOM 1234 N SER A 80 2.125 12.176 -2.707 1.00 0.00 N ATOM 1235 CA SER A 80 2.908 10.975 -2.979 1.00 0.00 C ATOM 1236 C SER A 80 2.250 9.739 -2.371 1.00 0.00 C ATOM 1237 O SER A 80 1.384 9.856 -1.504 1.00 0.00 O ATOM 1238 CB SER A 80 4.342 11.186 -2.480 1.00 0.00 C ATOM 1239 OG SER A 80 5.130 11.743 -3.504 1.00 0.00 O ATOM 0 H SER A 80 1.660 12.165 -1.799 1.00 0.00 H new ATOM 0 HA SER A 80 2.946 10.797 -4.054 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.341 11.845 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.768 10.235 -2.158 1.00 0.00 H new ATOM 0 HG SER A 80 4.569 12.302 -4.081 1.00 0.00 H new ATOM 1245 N ILE A 81 2.647 8.551 -2.840 1.00 0.00 N ATOM 1246 CA ILE A 81 2.097 7.294 -2.362 1.00 0.00 C ATOM 1247 C ILE A 81 2.518 7.023 -0.900 1.00 0.00 C ATOM 1248 O ILE A 81 1.628 6.809 -0.081 1.00 0.00 O ATOM 1249 CB ILE A 81 2.447 6.105 -3.297 1.00 0.00 C ATOM 1250 CG1 ILE A 81 2.032 6.318 -4.774 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.832 4.792 -2.764 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.536 6.194 -5.056 1.00 0.00 C ATOM 0 H ILE A 81 3.359 8.442 -3.562 1.00 0.00 H new ATOM 0 HA ILE A 81 1.011 7.388 -2.380 1.00 0.00 H new ATOM 0 HB ILE A 81 3.535 6.040 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.363 7.308 -5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.563 5.593 -5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.089 3.972 -3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.224 4.584 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.748 4.892 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.351 6.360 -6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.195 5.196 -4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.007 6.937 -4.472 1.00 0.00 H new ATOM 1264 N PRO A 82 3.816 7.046 -0.514 1.00 0.00 N ATOM 1265 CA PRO A 82 4.220 6.758 0.868 1.00 0.00 C ATOM 1266 C PRO A 82 3.642 7.726 1.898 1.00 0.00 C ATOM 1267 O PRO A 82 3.433 7.339 3.047 1.00 0.00 O ATOM 1268 CB PRO A 82 5.751 6.742 0.882 1.00 0.00 C ATOM 1269 CG PRO A 82 6.144 7.537 -0.353 1.00 0.00 C ATOM 1270 CD PRO A 82 5.001 7.286 -1.329 1.00 0.00 C ATOM 0 HA PRO A 82 3.813 5.794 1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.146 7.197 1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.139 5.724 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.251 8.598 -0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.098 7.199 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.855 8.143 -1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.215 6.429 -1.967 1.00 0.00 H new ATOM 1278 N LEU A 83 3.365 8.962 1.482 1.00 0.00 N ATOM 1279 CA LEU A 83 2.787 10.018 2.304 1.00 0.00 C ATOM 1280 C LEU A 83 1.412 9.554 2.784 1.00 0.00 C ATOM 1281 O LEU A 83 1.091 9.668 3.965 1.00 0.00 O ATOM 1282 CB LEU A 83 2.631 11.290 1.445 1.00 0.00 C ATOM 1283 CG LEU A 83 3.824 12.246 1.342 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.033 13.011 2.648 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.115 11.526 0.959 1.00 0.00 C ATOM 0 H LEU A 83 3.545 9.264 0.525 1.00 0.00 H new ATOM 0 HA LEU A 83 3.428 10.234 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.366 10.979 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.785 11.855 1.837 1.00 0.00 H new ATOM 0 HG LEU A 83 3.583 12.951 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.886 13.681 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.140 13.593 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.222 12.305 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.930 12.247 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.350 10.775 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.988 11.041 -0.009 1.00 0.00 H new ATOM 1297 N LEU A 84 0.616 9.054 1.831 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.730 8.537 2.012 1.00 0.00 C ATOM 1299 C LEU A 84 -0.674 7.271 2.856 1.00 0.00 C ATOM 1300 O LEU A 84 -1.288 7.247 3.909 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.348 8.349 0.614 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.770 7.778 0.468 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -2.796 6.258 0.596 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.807 8.477 1.351 1.00 0.00 C ATOM 0 H LEU A 84 0.920 9.000 0.859 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.375 9.223 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.338 9.322 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.679 7.700 0.049 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.080 8.006 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.820 5.901 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.173 5.817 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.414 5.969 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.785 8.021 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.522 8.374 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.854 9.534 1.090 1.00 0.00 H new ATOM 1316 N ILE A 85 0.079 6.245 2.449 1.00 0.00 N ATOM 1317 CA ILE A 85 0.205 4.981 3.181 1.00 0.00 C ATOM 1318 C ILE A 85 0.490 5.236 4.669 1.00 0.00 C ATOM 1319 O ILE A 85 -0.182 4.668 5.533 1.00 0.00 O ATOM 1320 CB ILE A 85 1.309 4.107 2.527 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.977 3.692 1.076 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.672 2.855 3.346 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.259 2.808 0.912 1.00 0.00 C ATOM 0 H ILE A 85 0.626 6.269 1.589 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.739 4.439 3.125 1.00 0.00 H new ATOM 0 HB ILE A 85 2.180 4.762 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.838 4.595 0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.837 3.166 0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.449 2.294 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.036 3.156 4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.788 2.228 3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.402 2.575 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.122 1.883 1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.136 3.335 1.289 1.00 0.00 H new ATOM 1335 N ASP A 86 1.471 6.094 4.967 1.00 0.00 N ATOM 1336 CA ASP A 86 1.854 6.426 6.335 1.00 0.00 C ATOM 1337 C ASP A 86 0.689 7.070 7.097 1.00 0.00 C ATOM 1338 O ASP A 86 0.500 6.815 8.287 1.00 0.00 O ATOM 1339 CB ASP A 86 3.071 7.361 6.307 1.00 0.00 C ATOM 1340 CG ASP A 86 3.627 7.589 7.713 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.335 6.670 8.184 1.00 0.00 O ATOM 1342 OD2 ASP A 86 3.441 8.670 8.318 1.00 0.00 O ATOM 0 H ASP A 86 2.022 6.578 4.259 1.00 0.00 H new ATOM 0 HA ASP A 86 2.117 5.508 6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.847 6.933 5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.788 8.317 5.866 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.121 7.892 6.419 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.256 8.557 7.033 1.00 0.00 C ATOM 1349 C HIS A 87 -2.281 7.534 7.526 1.00 0.00 C ATOM 1350 O HIS A 87 -2.776 7.671 8.652 1.00 0.00 O ATOM 1351 CB HIS A 87 -1.876 9.543 6.033 1.00 0.00 C ATOM 1352 CG HIS A 87 -2.966 10.403 6.609 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -2.790 11.418 7.511 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.281 10.393 6.237 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -3.980 12.003 7.698 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -4.930 11.417 6.944 1.00 0.00 N ATOM 0 H HIS A 87 -0.000 8.109 5.430 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.918 9.118 7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.089 10.188 5.641 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.279 8.982 5.190 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.738 9.719 5.527 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.155 12.834 8.365 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -5.918 11.666 6.897 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.579 6.498 6.731 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.555 5.463 7.094 1.00 0.00 C ATOM 1366 C LEU A 88 -3.029 4.594 8.217 1.00 0.00 C ATOM 1367 O LEU A 88 -3.775 4.262 9.131 1.00 0.00 O ATOM 1368 CB LEU A 88 -3.946 4.558 5.920 1.00 0.00 C ATOM 1369 CG LEU A 88 -4.873 5.226 4.890 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.113 6.219 4.030 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.405 4.141 3.952 1.00 0.00 C ATOM 0 H LEU A 88 -2.149 6.354 5.817 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.446 6.004 7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.039 4.226 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.438 3.667 6.311 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.669 5.741 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.795 6.675 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.682 6.994 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.316 5.702 3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.066 4.592 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.570 3.656 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.959 3.400 4.529 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.755 4.210 8.159 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.143 3.380 9.193 1.00 0.00 C ATOM 1385 C LEU A 89 -1.193 4.091 10.544 1.00 0.00 C ATOM 1386 O LEU A 89 -1.358 3.431 11.567 1.00 0.00 O ATOM 1387 CB LEU A 89 0.301 3.077 8.795 1.00 0.00 C ATOM 1388 CG LEU A 89 0.406 1.876 7.847 1.00 0.00 C ATOM 1389 CD1 LEU A 89 1.729 1.947 7.094 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.317 0.546 8.606 1.00 0.00 C ATOM 0 H LEU A 89 -1.123 4.463 7.400 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.695 2.445 9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.735 3.954 8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.889 2.881 9.692 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.430 1.918 7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.809 1.095 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.771 2.872 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.554 1.925 7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.395 -0.281 7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.130 0.485 9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.638 0.488 9.128 1.00 0.00 H new ATOM 1402 N SER A 90 -1.102 5.416 10.556 1.00 0.00 N ATOM 1403 CA SER A 90 -1.151 6.215 11.761 1.00 0.00 C ATOM 1404 C SER A 90 -2.604 6.400 12.227 1.00 0.00 C ATOM 1405 O SER A 90 -2.943 6.058 13.357 1.00 0.00 O ATOM 1406 CB SER A 90 -0.433 7.531 11.444 1.00 0.00 C ATOM 1407 OG SER A 90 -0.564 8.487 12.475 1.00 0.00 O ATOM 0 H SER A 90 -0.990 5.970 9.707 1.00 0.00 H new ATOM 0 HA SER A 90 -0.648 5.730 12.598 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.625 7.331 11.273 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.833 7.944 10.518 1.00 0.00 H new ATOM 0 HG SER A 90 -0.087 9.306 12.224 1.00 0.00 H new ATOM 1413 N THR A 91 -3.485 6.914 11.365 1.00 0.00 N ATOM 1414 CA THR A 91 -4.884 7.167 11.708 1.00 0.00 C ATOM 1415 C THR A 91 -5.709 5.907 11.962 1.00 0.00 C ATOM 1416 O THR A 91 -6.644 5.959 12.765 1.00 0.00 O ATOM 1417 CB THR A 91 -5.554 7.977 10.586 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.372 7.341 9.338 1.00 0.00 O ATOM 1419 CG2 THR A 91 -5.000 9.389 10.454 1.00 0.00 C ATOM 0 H THR A 91 -3.246 7.167 10.406 1.00 0.00 H new ATOM 0 HA THR A 91 -4.861 7.721 12.646 1.00 0.00 H new ATOM 0 HB THR A 91 -6.608 8.033 10.859 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.443 7.454 9.046 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.515 9.908 9.645 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.155 9.929 11.388 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.933 9.342 10.234 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.362 4.787 11.325 1.00 0.00 N ATOM 1428 CA GLN A 92 -6.052 3.500 11.404 1.00 0.00 C ATOM 1429 C GLN A 92 -7.453 3.588 10.778 1.00 0.00 C ATOM 1430 O GLN A 92 -8.332 2.788 11.096 1.00 0.00 O ATOM 1431 CB GLN A 92 -6.036 2.925 12.832 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.626 2.529 13.291 1.00 0.00 C ATOM 1433 CD GLN A 92 -4.181 1.290 12.528 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.720 0.209 12.732 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.209 1.403 11.641 1.00 0.00 N ATOM 0 H GLN A 92 -4.550 4.752 10.709 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.500 2.776 10.805 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.445 3.663 13.522 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.687 2.052 12.876 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.930 3.349 13.115 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.622 2.332 14.363 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.768 2.309 11.480 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.899 0.585 11.117 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.688 4.578 9.909 1.00 0.00 N ATOM 1445 CA GLN A 93 -8.983 4.726 9.267 1.00 0.00 C ATOM 1446 C GLN A 93 -9.208 3.607 8.249 1.00 0.00 C ATOM 1447 O GLN A 93 -8.251 3.172 7.596 1.00 0.00 O ATOM 1448 CB GLN A 93 -9.112 6.092 8.578 1.00 0.00 C ATOM 1449 CG GLN A 93 -8.286 6.300 7.303 1.00 0.00 C ATOM 1450 CD GLN A 93 -8.472 7.705 6.725 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -8.843 7.880 5.568 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -8.156 8.754 7.473 1.00 0.00 N ATOM 0 H GLN A 93 -6.998 5.280 9.641 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.745 4.661 10.043 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.162 6.252 8.333 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.831 6.863 9.295 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.231 6.135 7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.576 5.560 6.558 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.847 8.619 8.436 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.222 9.695 7.086 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.459 3.166 8.052 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.747 2.139 7.082 1.00 0.00 C ATOM 1463 C PRO A 94 -10.716 2.757 5.680 1.00 0.00 C ATOM 1464 O PRO A 94 -11.347 3.784 5.413 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.127 1.601 7.432 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.800 2.830 8.026 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.672 3.565 8.745 1.00 0.00 C ATOM 0 HA PRO A 94 -10.017 1.329 7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.656 1.230 6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.076 0.778 8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.250 3.451 7.251 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.598 2.553 8.715 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.814 4.645 8.701 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.632 3.291 9.799 1.00 0.00 H new ATOM 1475 N LEU A 95 -10.028 2.065 4.780 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.822 2.391 3.370 1.00 0.00 C ATOM 1477 C LEU A 95 -11.116 2.807 2.675 1.00 0.00 C ATOM 1478 O LEU A 95 -11.121 3.781 1.931 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.247 1.155 2.650 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.732 0.994 2.836 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.324 -0.459 2.597 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -6.972 1.877 1.844 1.00 0.00 C ATOM 0 H LEU A 95 -9.563 1.194 5.035 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.132 3.234 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.749 0.261 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.470 1.227 1.585 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.486 1.290 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.247 -0.561 2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.841 -1.104 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.592 -0.750 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.900 1.749 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.235 1.590 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.239 2.921 2.008 1.00 0.00 H new ATOM 1494 N THR A 96 -12.186 2.031 2.848 1.00 0.00 N ATOM 1495 CA THR A 96 -13.499 2.278 2.254 1.00 0.00 C ATOM 1496 C THR A 96 -14.574 1.675 3.156 1.00 0.00 C ATOM 1497 O THR A 96 -14.339 0.625 3.765 1.00 0.00 O ATOM 1498 CB THR A 96 -13.605 1.667 0.832 1.00 0.00 C ATOM 1499 OG1 THR A 96 -13.286 0.283 0.773 1.00 0.00 O ATOM 1500 CG2 THR A 96 -12.706 2.360 -0.182 1.00 0.00 C ATOM 0 H THR A 96 -12.162 1.188 3.422 1.00 0.00 H new ATOM 0 HA THR A 96 -13.641 3.355 2.164 1.00 0.00 H new ATOM 0 HB THR A 96 -14.656 1.815 0.583 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.375 -0.034 -0.150 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.825 1.887 -1.157 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.981 3.412 -0.253 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.667 2.277 0.137 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.763 2.281 3.219 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.870 1.779 4.033 1.00 0.00 C ATOM 1510 C LYS A 97 -17.228 0.363 3.563 1.00 0.00 C ATOM 1511 O LYS A 97 -17.353 -0.546 4.374 1.00 0.00 O ATOM 1512 CB LYS A 97 -18.065 2.759 3.926 1.00 0.00 C ATOM 1513 CG LYS A 97 -19.147 2.669 5.025 1.00 0.00 C ATOM 1514 CD LYS A 97 -19.849 1.307 5.122 1.00 0.00 C ATOM 1515 CE LYS A 97 -21.059 1.277 6.065 1.00 0.00 C ATOM 1516 NZ LYS A 97 -22.313 1.779 5.471 1.00 0.00 N ATOM 0 H LYS A 97 -15.984 3.134 2.706 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.590 1.719 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.670 3.775 3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -18.548 2.600 2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.688 2.896 5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.898 3.437 4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.174 1.009 4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.126 0.563 5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -21.216 0.252 6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -20.828 1.870 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -23.077 1.723 6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -22.186 2.768 5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -22.561 1.200 4.644 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.328 0.145 2.248 1.00 0.00 N ATOM 1531 CA LYS A 98 -17.689 -1.132 1.632 1.00 0.00 C ATOM 1532 C LYS A 98 -16.872 -2.341 2.095 1.00 0.00 C ATOM 1533 O LYS A 98 -17.419 -3.439 2.052 1.00 0.00 O ATOM 1534 CB LYS A 98 -17.621 -0.974 0.100 1.00 0.00 C ATOM 1535 CG LYS A 98 -18.143 -2.178 -0.707 1.00 0.00 C ATOM 1536 CD LYS A 98 -19.615 -2.542 -0.459 1.00 0.00 C ATOM 1537 CE LYS A 98 -20.526 -1.364 -0.811 1.00 0.00 C ATOM 1538 NZ LYS A 98 -21.926 -1.775 -1.033 1.00 0.00 N ATOM 0 H LYS A 98 -17.154 0.879 1.561 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.702 -1.360 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.193 -0.091 -0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.585 -0.788 -0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -18.011 -1.969 -1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.526 -3.046 -0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -19.887 -3.411 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -19.756 -2.819 0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -20.490 -0.629 -0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -20.149 -0.873 -1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -22.500 -0.940 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -21.968 -2.456 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -22.299 -2.219 -0.170 1.00 0.00 H new ATOM 1552 N SER A 99 -15.621 -2.186 2.536 1.00 0.00 N ATOM 1553 CA SER A 99 -14.795 -3.315 2.972 1.00 0.00 C ATOM 1554 C SER A 99 -14.291 -3.147 4.423 1.00 0.00 C ATOM 1555 O SER A 99 -13.920 -4.135 5.060 1.00 0.00 O ATOM 1556 CB SER A 99 -13.672 -3.490 1.924 1.00 0.00 C ATOM 1557 OG SER A 99 -13.417 -4.832 1.544 1.00 0.00 O ATOM 0 H SER A 99 -15.155 -1.281 2.601 1.00 0.00 H new ATOM 0 HA SER A 99 -15.381 -4.233 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.933 -2.918 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 99 -12.753 -3.059 2.321 1.00 0.00 H new ATOM 0 HG SER A 99 -12.497 -5.071 1.784 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.291 -1.931 4.981 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.844 -1.630 6.339 1.00 0.00 C ATOM 1565 C GLY A 100 -12.412 -2.089 6.658 1.00 0.00 C ATOM 1566 O GLY A 100 -12.096 -2.312 7.824 1.00 0.00 O ATOM 0 H GLY A 100 -14.614 -1.104 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.911 -0.554 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.528 -2.100 7.045 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.557 -2.269 5.652 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.182 -2.733 5.799 1.00 0.00 C ATOM 1572 C VAL A 101 -9.263 -1.628 6.324 1.00 0.00 C ATOM 1573 O VAL A 101 -9.389 -0.480 5.902 1.00 0.00 O ATOM 1574 CB VAL A 101 -9.720 -3.228 4.419 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.309 -3.801 4.476 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.627 -4.329 3.853 1.00 0.00 C ATOM 0 H VAL A 101 -11.813 -2.089 4.681 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.136 -3.537 6.533 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.759 -2.350 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.014 -4.142 3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.617 -3.031 4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.285 -4.641 5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.255 -4.641 2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.629 -5.183 4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.642 -3.946 3.748 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.307 -1.972 7.192 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.343 -1.052 7.798 1.00 0.00 C ATOM 1588 C VAL A 102 -5.928 -1.593 7.564 1.00 0.00 C ATOM 1589 O VAL A 102 -5.744 -2.810 7.458 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.650 -0.906 9.310 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.748 0.135 9.986 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.114 -0.515 9.573 1.00 0.00 C ATOM 0 H VAL A 102 -8.179 -2.935 7.503 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.417 -0.064 7.343 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.455 -1.890 9.737 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.000 0.202 11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.705 -0.163 9.880 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.897 1.107 9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.279 -0.425 10.647 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.328 0.439 9.092 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.774 -1.282 9.167 1.00 0.00 H new ATOM 1602 N LEU A 103 -4.937 -0.706 7.422 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.539 -1.080 7.219 1.00 0.00 C ATOM 1604 C LEU A 103 -2.925 -1.254 8.597 1.00 0.00 C ATOM 1605 O LEU A 103 -2.981 -0.330 9.408 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.725 -0.045 6.421 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.010 -0.021 4.906 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.390 0.559 4.575 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -1.952 0.809 4.165 1.00 0.00 C ATOM 0 H LEU A 103 -5.088 0.302 7.446 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.512 -1.994 6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.925 0.946 6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.664 -0.244 6.573 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.980 -1.060 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.538 0.552 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.162 -0.045 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.452 1.583 4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.174 0.812 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.964 1.832 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.967 0.373 4.330 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.348 -2.426 8.857 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.708 -2.729 10.127 1.00 0.00 C ATOM 1623 C HIS A 104 -0.204 -2.885 9.959 1.00 0.00 C ATOM 1624 O HIS A 104 0.533 -2.437 10.838 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.341 -3.961 10.790 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.688 -3.694 11.413 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -3.935 -2.683 12.305 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -4.848 -4.415 11.280 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.213 -2.769 12.688 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -5.811 -3.827 12.112 1.00 0.00 N ATOM 0 H HIS A 104 -2.313 -3.193 8.186 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.873 -1.885 10.796 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.446 -4.749 10.044 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.664 -4.336 11.558 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.993 -5.279 10.649 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -5.698 -2.083 13.367 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.772 -4.139 12.252 1.00 0.00 H new ATOM 1638 N ARG A 105 0.279 -3.506 8.876 1.00 0.00 N ATOM 1639 CA ARG A 105 1.716 -3.667 8.665 1.00 0.00 C ATOM 1640 C ARG A 105 2.013 -4.013 7.216 1.00 0.00 C ATOM 1641 O ARG A 105 1.207 -4.664 6.551 1.00 0.00 O ATOM 1642 CB ARG A 105 2.287 -4.783 9.567 1.00 0.00 C ATOM 1643 CG ARG A 105 3.791 -4.566 9.801 1.00 0.00 C ATOM 1644 CD ARG A 105 4.537 -5.760 10.406 1.00 0.00 C ATOM 1645 NE ARG A 105 3.840 -6.358 11.558 1.00 0.00 N ATOM 1646 CZ ARG A 105 3.405 -7.624 11.643 1.00 0.00 C ATOM 1647 NH1 ARG A 105 3.527 -8.477 10.631 1.00 0.00 N ATOM 1648 NH2 ARG A 105 2.839 -8.048 12.764 1.00 0.00 N ATOM 0 H ARG A 105 -0.303 -3.902 8.138 1.00 0.00 H new ATOM 0 HA ARG A 105 2.188 -2.718 8.920 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.762 -4.792 10.522 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.121 -5.755 9.103 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.257 -4.311 8.849 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.920 -3.707 10.459 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.674 -6.521 9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.531 -5.439 10.718 1.00 0.00 H new ATOM 0 HE ARG A 105 3.673 -5.755 12.364 1.00 0.00 H new ATOM 0 HH11 ARG A 105 3.961 -8.175 9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 105 3.186 -9.434 10.726 1.00 0.00 H new ATOM 0 HH21 ARG A 105 2.736 -7.413 13.555 1.00 0.00 H new ATOM 0 HH22 ARG A 105 2.506 -9.009 12.835 1.00 0.00 H new ATOM 1662 N ALA A 106 3.156 -3.561 6.722 1.00 0.00 N ATOM 1663 CA ALA A 106 3.611 -3.832 5.373 1.00 0.00 C ATOM 1664 C ALA A 106 4.236 -5.226 5.326 1.00 0.00 C ATOM 1665 O ALA A 106 4.597 -5.789 6.366 1.00 0.00 O ATOM 1666 CB ALA A 106 4.726 -2.830 5.060 1.00 0.00 C ATOM 0 H ALA A 106 3.803 -2.985 7.260 1.00 0.00 H new ATOM 0 HA ALA A 106 2.780 -3.761 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.096 -3.002 4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.335 -1.815 5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.541 -2.959 5.772 1.00 0.00 H new ATOM 1672 N VAL A 107 4.436 -5.774 4.133 1.00 0.00 N ATOM 1673 CA VAL A 107 5.085 -7.052 3.925 1.00 0.00 C ATOM 1674 C VAL A 107 6.395 -6.672 3.202 1.00 0.00 C ATOM 1675 O VAL A 107 6.328 -6.164 2.082 1.00 0.00 O ATOM 1676 CB VAL A 107 4.162 -7.986 3.136 1.00 0.00 C ATOM 1677 CG1 VAL A 107 4.938 -9.167 2.564 1.00 0.00 C ATOM 1678 CG2 VAL A 107 3.042 -8.537 4.031 1.00 0.00 C ATOM 0 H VAL A 107 4.142 -5.326 3.265 1.00 0.00 H new ATOM 0 HA VAL A 107 5.304 -7.613 4.833 1.00 0.00 H new ATOM 0 HB VAL A 107 3.733 -7.398 2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.259 -9.814 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.718 -8.801 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.393 -9.732 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.401 -9.197 3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.479 -9.095 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.450 -7.710 4.423 1.00 0.00 H new ATOM 1688 N PRO A 108 7.575 -6.824 3.831 1.00 0.00 N ATOM 1689 CA PRO A 108 8.855 -6.492 3.216 1.00 0.00 C ATOM 1690 C PRO A 108 9.256 -7.505 2.135 1.00 0.00 C ATOM 1691 O PRO A 108 9.016 -8.707 2.286 1.00 0.00 O ATOM 1692 CB PRO A 108 9.869 -6.516 4.363 1.00 0.00 C ATOM 1693 CG PRO A 108 9.289 -7.530 5.345 1.00 0.00 C ATOM 1694 CD PRO A 108 7.780 -7.383 5.157 1.00 0.00 C ATOM 0 HA PRO A 108 8.806 -5.524 2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.858 -6.816 4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.977 -5.533 4.821 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.625 -8.543 5.122 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.589 -7.313 6.370 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.283 -8.348 5.251 1.00 0.00 H new ATOM 0 HD3 PRO A 108 7.357 -6.731 5.921 1.00 0.00 H new ATOM 1702 N SER A 109 9.914 -7.026 1.074 1.00 0.00 N ATOM 1703 CA SER A 109 10.394 -7.867 -0.026 1.00 0.00 C ATOM 1704 C SER A 109 11.689 -8.592 0.328 1.00 0.00 C ATOM 1705 O SER A 109 11.976 -9.653 -0.228 1.00 0.00 O ATOM 1706 CB SER A 109 10.662 -7.027 -1.276 1.00 0.00 C ATOM 1707 OG SER A 109 11.556 -5.943 -1.055 1.00 0.00 O ATOM 0 H SER A 109 10.130 -6.036 0.954 1.00 0.00 H new ATOM 0 HA SER A 109 9.608 -8.598 -0.213 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.071 -7.671 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.716 -6.636 -1.650 1.00 0.00 H new ATOM 0 HG SER A 109 11.685 -5.450 -1.892 1.00 0.00 H new