USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=20 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 96 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 87 HIS : no HE2:sc= 0.242 K(o=3.4,f=-5!) USER MOD Set 2.2: A 91 THR OG1 : rot -93:sc= 1.18 USER MOD Set 2.3: A 93 GLN : amide:sc= 1.97 K(o=3.4,f=-7.5!) USER MOD Set 3.1: A 52 SER OG : rot -84:sc= 1.52 USER MOD Set 3.2: A 61 HIS : no HD1:sc= 1.29 K(o=2.8,f=-4.9!) USER MOD Single : A 10 GLN :FLIP amide:sc=-0.00275 F(o=-1.6!,f=-0.0028) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.17) USER MOD Single : A 14 HIS : no HD1:sc= -0.807 X(o=-0.81,f=-0.65) USER MOD Single : A 16 GLN : amide:sc= 0.208 K(o=0.21,f=-0.39) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -2 K(o=-2,f=-3!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN :FLIP amide:sc= -1.18 F(o=-1.9,f=-1.2) USER MOD Single : A 46 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.71) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.9) USER MOD Single : A 66 SER OG : rot 92:sc= 1.04 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc=-0.00654 USER MOD Single : A 90 SER OG : rot 90:sc= 1.28 USER MOD Single : A 92 GLN : amide:sc= 1.98 K(o=2,f=-0.51) 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 104 HIS : no HE2:sc= -0.114 X(o=-0.11,f=-0.21) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 10.782 7.474 7.504 1.00 0.00 N ATOM 67 CA GLU A 8 10.567 6.446 6.485 1.00 0.00 C ATOM 68 C GLU A 8 9.717 6.935 5.322 1.00 0.00 C ATOM 69 O GLU A 8 10.053 6.711 4.160 1.00 0.00 O ATOM 70 CB GLU A 8 9.837 5.266 7.133 1.00 0.00 C ATOM 71 CG GLU A 8 10.781 4.135 7.500 1.00 0.00 C ATOM 72 CD GLU A 8 11.196 3.274 6.307 1.00 0.00 C ATOM 73 OE1 GLU A 8 10.304 2.681 5.662 1.00 0.00 O ATOM 74 OE2 GLU A 8 12.407 3.056 6.086 1.00 0.00 O ATOM 0 HA GLU A 8 11.545 6.167 6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.320 5.609 8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.075 4.893 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.674 4.554 7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.302 3.501 8.246 1.00 0.00 H new ATOM 81 N VAL A 9 8.632 7.637 5.635 1.00 0.00 N ATOM 82 CA VAL A 9 7.714 8.147 4.636 1.00 0.00 C ATOM 83 C VAL A 9 8.380 9.109 3.632 1.00 0.00 C ATOM 84 O VAL A 9 7.862 9.321 2.537 1.00 0.00 O ATOM 85 CB VAL A 9 6.502 8.764 5.367 1.00 0.00 C ATOM 86 CG1 VAL A 9 6.876 9.959 6.257 1.00 0.00 C ATOM 87 CG2 VAL A 9 5.403 9.210 4.408 1.00 0.00 C ATOM 0 H VAL A 9 8.369 7.866 6.593 1.00 0.00 H new ATOM 0 HA VAL A 9 7.370 7.324 4.009 1.00 0.00 H new ATOM 0 HB VAL A 9 6.131 7.956 5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.980 10.346 6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.589 9.638 7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.325 10.742 5.645 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.576 9.636 4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.799 9.961 3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.048 8.352 3.837 1.00 0.00 H new ATOM 97 N GLN A 10 9.514 9.720 3.996 1.00 0.00 N ATOM 98 CA GLN A 10 10.233 10.648 3.131 1.00 0.00 C ATOM 99 C GLN A 10 10.901 9.914 1.962 1.00 0.00 C ATOM 100 O GLN A 10 11.357 10.566 1.022 1.00 0.00 O ATOM 101 CB GLN A 10 11.275 11.431 3.946 1.00 0.00 C ATOM 102 CG GLN A 10 10.684 12.146 5.173 1.00 0.00 C ATOM 103 CD GLN A 10 9.742 13.283 4.788 1.00 0.00 C ATOM 104 OE1 GLN A 10 8.446 13.112 4.971 1.00 0.00 O flip ATOM 105 NE2 GLN A 10 10.168 14.337 4.322 1.00 0.00 N flip ATOM 0 H GLN A 10 9.956 9.580 4.904 1.00 0.00 H new ATOM 0 HA GLN A 10 9.513 11.351 2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.056 10.746 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.750 12.169 3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.145 11.424 5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.495 12.541 5.785 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.170 14.465 4.182 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.519 15.084 4.075 1.00 0.00 H new ATOM 114 N LYS A 11 11.034 8.585 2.033 1.00 0.00 N ATOM 115 CA LYS A 11 11.635 7.798 0.966 1.00 0.00 C ATOM 116 C LYS A 11 10.615 7.680 -0.170 1.00 0.00 C ATOM 117 O LYS A 11 9.420 7.527 0.114 1.00 0.00 O ATOM 118 CB LYS A 11 11.950 6.382 1.465 1.00 0.00 C ATOM 119 CG LYS A 11 13.034 6.312 2.543 1.00 0.00 C ATOM 120 CD LYS A 11 13.239 4.849 2.952 1.00 0.00 C ATOM 121 CE LYS A 11 14.399 4.765 3.941 1.00 0.00 C ATOM 122 NZ LYS A 11 14.596 3.397 4.450 1.00 0.00 N ATOM 0 H LYS A 11 10.727 8.031 2.833 1.00 0.00 H new ATOM 0 HA LYS A 11 12.554 8.281 0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.036 5.938 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.260 5.773 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.967 6.732 2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.743 6.907 3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.329 4.454 3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.449 4.239 2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.314 5.106 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.211 5.439 4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.541 3.318 4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.873 3.186 5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.514 2.719 3.665 1.00 0.00 H new ATOM 136 N PRO A 12 11.041 7.704 -1.441 1.00 0.00 N ATOM 137 CA PRO A 12 10.118 7.563 -2.554 1.00 0.00 C ATOM 138 C PRO A 12 9.554 6.144 -2.535 1.00 0.00 C ATOM 139 O PRO A 12 10.149 5.240 -1.942 1.00 0.00 O ATOM 140 CB PRO A 12 10.949 7.811 -3.815 1.00 0.00 C ATOM 141 CG PRO A 12 12.373 7.467 -3.385 1.00 0.00 C ATOM 142 CD PRO A 12 12.404 7.870 -1.912 1.00 0.00 C ATOM 0 HA PRO A 12 9.279 8.258 -2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.618 7.183 -4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.871 8.846 -4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.587 6.406 -3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.113 8.016 -3.968 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.094 7.244 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.739 8.901 -1.793 1.00 0.00 H new ATOM 150 N LEU A 13 8.455 5.911 -3.253 1.00 0.00 N ATOM 151 CA LEU A 13 7.808 4.605 -3.337 1.00 0.00 C ATOM 152 C LEU A 13 8.798 3.511 -3.754 1.00 0.00 C ATOM 153 O LEU A 13 8.709 2.398 -3.251 1.00 0.00 O ATOM 154 CB LEU A 13 6.600 4.709 -4.288 1.00 0.00 C ATOM 155 CG LEU A 13 5.999 3.378 -4.791 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.494 3.527 -5.005 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.625 2.986 -6.138 1.00 0.00 C ATOM 0 H LEU A 13 7.985 6.634 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 13 7.447 4.311 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.814 5.267 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.899 5.297 -5.156 1.00 0.00 H new ATOM 0 HG LEU A 13 6.204 2.614 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.082 2.582 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.018 3.800 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.307 4.305 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.192 2.046 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.426 3.766 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.702 2.867 -6.018 1.00 0.00 H new ATOM 169 N HIS A 14 9.750 3.816 -4.641 1.00 0.00 N ATOM 170 CA HIS A 14 10.741 2.850 -5.113 1.00 0.00 C ATOM 171 C HIS A 14 11.769 2.418 -4.054 1.00 0.00 C ATOM 172 O HIS A 14 12.513 1.477 -4.306 1.00 0.00 O ATOM 173 CB HIS A 14 11.403 3.333 -6.415 1.00 0.00 C ATOM 174 CG HIS A 14 11.618 4.821 -6.559 1.00 0.00 C ATOM 175 ND1 HIS A 14 10.722 5.700 -7.132 1.00 0.00 N ATOM 176 CD2 HIS A 14 12.770 5.515 -6.287 1.00 0.00 C ATOM 177 CE1 HIS A 14 11.319 6.897 -7.194 1.00 0.00 C ATOM 178 NE2 HIS A 14 12.564 6.839 -6.702 1.00 0.00 N ATOM 0 H HIS A 14 9.854 4.744 -5.052 1.00 0.00 H new ATOM 0 HA HIS A 14 10.187 1.937 -5.330 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.371 2.840 -6.507 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.792 2.996 -7.252 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.667 5.116 -5.837 1.00 0.00 H new ATOM 0 HE1 HIS A 14 10.858 7.791 -7.588 1.00 0.00 H new ATOM 0 HE2 HIS A 14 13.232 7.608 -6.641 1.00 0.00 H new ATOM 186 N GLU A 15 11.817 3.068 -2.889 1.00 0.00 N ATOM 187 CA GLU A 15 12.739 2.752 -1.792 1.00 0.00 C ATOM 188 C GLU A 15 12.003 2.105 -0.616 1.00 0.00 C ATOM 189 O GLU A 15 12.599 1.775 0.413 1.00 0.00 O ATOM 190 CB GLU A 15 13.425 4.045 -1.343 1.00 0.00 C ATOM 191 CG GLU A 15 14.560 4.443 -2.281 1.00 0.00 C ATOM 192 CD GLU A 15 15.816 3.568 -2.163 1.00 0.00 C ATOM 193 OE1 GLU A 15 15.853 2.567 -1.398 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.810 3.898 -2.834 1.00 0.00 O ATOM 0 H GLU A 15 11.199 3.851 -2.675 1.00 0.00 H new ATOM 0 HA GLU A 15 13.482 2.036 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.691 4.849 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.816 3.917 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.198 4.401 -3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.834 5.479 -2.082 1.00 0.00 H new ATOM 201 N GLN A 16 10.685 1.975 -0.734 1.00 0.00 N ATOM 202 CA GLN A 16 9.854 1.367 0.289 1.00 0.00 C ATOM 203 C GLN A 16 10.124 -0.138 0.298 1.00 0.00 C ATOM 204 O GLN A 16 10.562 -0.711 -0.700 1.00 0.00 O ATOM 205 CB GLN A 16 8.376 1.646 -0.007 1.00 0.00 C ATOM 206 CG GLN A 16 8.047 3.147 0.007 1.00 0.00 C ATOM 207 CD GLN A 16 8.147 3.789 1.385 1.00 0.00 C ATOM 208 OE1 GLN A 16 7.877 3.165 2.405 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.516 5.056 1.455 1.00 0.00 N ATOM 0 H GLN A 16 10.163 2.293 -1.551 1.00 0.00 H new ATOM 0 HA GLN A 16 10.090 1.787 1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.119 1.230 -0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.758 1.135 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.724 3.664 -0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.037 3.291 -0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.739 5.570 0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.577 5.520 2.361 1.00 0.00 H new ATOM 218 N LEU A 17 9.830 -0.781 1.423 1.00 0.00 N ATOM 219 CA LEU A 17 10.006 -2.220 1.625 1.00 0.00 C ATOM 220 C LEU A 17 8.792 -3.031 1.169 1.00 0.00 C ATOM 221 O LEU A 17 8.888 -4.252 1.080 1.00 0.00 O ATOM 222 CB LEU A 17 10.359 -2.535 3.091 1.00 0.00 C ATOM 223 CG LEU A 17 9.236 -2.422 4.140 1.00 0.00 C ATOM 224 CD1 LEU A 17 9.826 -2.769 5.511 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.611 -1.025 4.206 1.00 0.00 C ATOM 0 H LEU A 17 9.453 -0.306 2.243 1.00 0.00 H new ATOM 0 HA LEU A 17 10.842 -2.523 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.753 -3.551 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.167 -1.868 3.392 1.00 0.00 H new ATOM 0 HG LEU A 17 8.442 -3.111 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.048 -2.696 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.219 -3.785 5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.631 -2.073 5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.827 -1.012 4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.378 -0.295 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.182 -0.772 3.236 1.00 0.00 H new ATOM 237 N TRP A 18 7.671 -2.358 0.881 1.00 0.00 N ATOM 238 CA TRP A 18 6.418 -2.950 0.424 1.00 0.00 C ATOM 239 C TRP A 18 6.158 -2.724 -1.069 1.00 0.00 C ATOM 240 O TRP A 18 5.052 -3.018 -1.545 1.00 0.00 O ATOM 241 CB TRP A 18 5.291 -2.372 1.285 1.00 0.00 C ATOM 242 CG TRP A 18 5.264 -0.877 1.499 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.569 -0.277 2.669 1.00 0.00 C ATOM 244 CD2 TRP A 18 4.928 0.219 0.585 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.464 1.092 2.549 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.020 1.454 1.297 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.573 0.312 -0.777 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.735 2.694 0.704 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.321 1.553 -1.395 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.383 2.744 -0.654 1.00 0.00 C ATOM 0 H TRP A 18 7.615 -1.343 0.965 1.00 0.00 H new ATOM 0 HA TRP A 18 6.473 -4.033 0.539 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.342 -2.663 0.834 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.339 -2.850 2.264 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.855 -0.796 3.572 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.687 1.753 3.293 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.492 -0.592 -1.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.786 3.601 1.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.078 1.588 -2.447 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.162 3.690 -1.125 1.00 0.00 H new ATOM 261 N TYR A 19 7.094 -2.115 -1.805 1.00 0.00 N ATOM 262 CA TYR A 19 6.940 -1.870 -3.229 1.00 0.00 C ATOM 263 C TYR A 19 7.632 -3.011 -3.959 1.00 0.00 C ATOM 264 O TYR A 19 8.777 -2.921 -4.404 1.00 0.00 O ATOM 265 CB TYR A 19 7.454 -0.498 -3.650 1.00 0.00 C ATOM 266 CG TYR A 19 7.364 -0.323 -5.159 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.125 -0.467 -5.817 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.529 -0.114 -5.917 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.038 -0.350 -7.217 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.453 0.028 -7.313 1.00 0.00 C ATOM 271 CZ TYR A 19 7.208 -0.079 -7.972 1.00 0.00 C ATOM 272 OH TYR A 19 7.157 0.076 -9.327 1.00 0.00 O ATOM 0 H TYR A 19 7.978 -1.780 -1.422 1.00 0.00 H new ATOM 0 HA TYR A 19 5.883 -1.848 -3.493 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.873 0.280 -3.155 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.488 -0.378 -3.327 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.234 -0.669 -5.241 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.488 -0.062 -5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.086 -0.466 -7.714 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.349 0.220 -7.884 1.00 0.00 H new ATOM 0 HH TYR A 19 8.057 0.257 -9.670 1.00 0.00 H new ATOM 282 N HIS A 20 6.894 -4.104 -4.105 1.00 0.00 N ATOM 283 CA HIS A 20 7.382 -5.311 -4.750 1.00 0.00 C ATOM 284 C HIS A 20 7.650 -5.150 -6.257 1.00 0.00 C ATOM 285 O HIS A 20 8.365 -5.975 -6.831 1.00 0.00 O ATOM 286 CB HIS A 20 6.377 -6.433 -4.476 1.00 0.00 C ATOM 287 CG HIS A 20 6.352 -6.868 -3.031 1.00 0.00 C ATOM 288 ND1 HIS A 20 6.954 -7.998 -2.536 1.00 0.00 N ATOM 289 CD2 HIS A 20 5.749 -6.239 -1.976 1.00 0.00 C ATOM 290 CE1 HIS A 20 6.709 -8.058 -1.218 1.00 0.00 C ATOM 291 NE2 HIS A 20 5.980 -7.000 -0.835 1.00 0.00 N ATOM 0 H HIS A 20 5.931 -4.176 -3.775 1.00 0.00 H new ATOM 0 HA HIS A 20 8.357 -5.552 -4.326 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.381 -6.099 -4.765 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.620 -7.291 -5.103 1.00 0.00 H new ATOM 0 HD1 HIS A 20 7.494 -8.674 -3.076 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.192 -5.315 -2.021 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.050 -8.845 -0.561 1.00 0.00 H new ATOM 299 N GLY A 21 7.105 -4.121 -6.909 1.00 0.00 N ATOM 300 CA GLY A 21 7.288 -3.887 -8.340 1.00 0.00 C ATOM 301 C GLY A 21 6.063 -4.344 -9.120 1.00 0.00 C ATOM 302 O GLY A 21 4.992 -4.486 -8.536 1.00 0.00 O ATOM 0 H GLY A 21 6.519 -3.421 -6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.466 -2.827 -8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.170 -4.423 -8.691 1.00 0.00 H new ATOM 306 N ALA A 22 6.151 -4.536 -10.438 1.00 0.00 N ATOM 307 CA ALA A 22 5.023 -4.981 -11.268 1.00 0.00 C ATOM 308 C ALA A 22 4.799 -6.499 -11.140 1.00 0.00 C ATOM 309 O ALA A 22 4.702 -7.212 -12.143 1.00 0.00 O ATOM 310 CB ALA A 22 5.252 -4.545 -12.722 1.00 0.00 C ATOM 0 H ALA A 22 7.011 -4.387 -10.965 1.00 0.00 H new ATOM 0 HA ALA A 22 4.108 -4.507 -10.913 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.415 -4.875 -13.337 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.330 -3.459 -12.768 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.174 -4.991 -13.095 1.00 0.00 H new ATOM 316 N ILE A 23 4.746 -7.009 -9.909 1.00 0.00 N ATOM 317 CA ILE A 23 4.570 -8.432 -9.638 1.00 0.00 C ATOM 318 C ILE A 23 3.161 -8.921 -10.017 1.00 0.00 C ATOM 319 O ILE A 23 2.191 -8.160 -9.913 1.00 0.00 O ATOM 320 CB ILE A 23 4.966 -8.777 -8.180 1.00 0.00 C ATOM 321 CG1 ILE A 23 3.945 -8.376 -7.096 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.306 -8.103 -7.852 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.149 -9.148 -5.789 1.00 0.00 C ATOM 0 H ILE A 23 4.825 -6.439 -9.067 1.00 0.00 H new ATOM 0 HA ILE A 23 5.254 -8.983 -10.283 1.00 0.00 H new ATOM 0 HB ILE A 23 5.019 -9.865 -8.151 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.028 -7.307 -6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.936 -8.555 -7.467 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.592 -8.341 -6.827 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.073 -8.466 -8.536 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.206 -7.023 -7.959 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.406 -8.829 -5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.039 -10.216 -5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.148 -8.949 -5.401 1.00 0.00 H new ATOM 335 N PRO A 24 3.023 -10.189 -10.440 1.00 0.00 N ATOM 336 CA PRO A 24 1.742 -10.765 -10.811 1.00 0.00 C ATOM 337 C PRO A 24 0.918 -11.061 -9.559 1.00 0.00 C ATOM 338 O PRO A 24 1.460 -11.336 -8.487 1.00 0.00 O ATOM 339 CB PRO A 24 2.089 -12.068 -11.539 1.00 0.00 C ATOM 340 CG PRO A 24 3.390 -12.496 -10.883 1.00 0.00 C ATOM 341 CD PRO A 24 4.086 -11.169 -10.608 1.00 0.00 C ATOM 0 HA PRO A 24 1.151 -10.093 -11.434 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.309 -12.819 -11.414 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.211 -11.910 -12.611 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.214 -13.058 -9.965 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.982 -13.134 -11.539 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.705 -11.231 -9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.744 -10.894 -11.433 1.00 0.00 H new ATOM 349 N ARG A 25 -0.412 -11.102 -9.688 1.00 0.00 N ATOM 350 CA ARG A 25 -1.289 -11.391 -8.546 1.00 0.00 C ATOM 351 C ARG A 25 -1.036 -12.791 -7.992 1.00 0.00 C ATOM 352 O ARG A 25 -1.346 -13.045 -6.826 1.00 0.00 O ATOM 353 CB ARG A 25 -2.766 -11.230 -8.921 1.00 0.00 C ATOM 354 CG ARG A 25 -3.121 -9.824 -9.424 1.00 0.00 C ATOM 355 CD ARG A 25 -4.554 -9.817 -9.959 1.00 0.00 C ATOM 356 NE ARG A 25 -4.764 -8.707 -10.900 1.00 0.00 N ATOM 357 CZ ARG A 25 -5.547 -8.712 -11.982 1.00 0.00 C ATOM 358 NH1 ARG A 25 -6.344 -9.746 -12.232 1.00 0.00 N ATOM 359 NH2 ARG A 25 -5.523 -7.676 -12.811 1.00 0.00 N ATOM 0 H ARG A 25 -0.904 -10.940 -10.567 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.052 -10.665 -7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.018 -11.958 -9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.381 -11.462 -8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.021 -9.101 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.428 -9.522 -10.209 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.764 -10.764 -10.457 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.255 -9.731 -9.129 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.259 -7.842 -10.706 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.360 -10.543 -11.595 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.939 -9.743 -13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.910 -6.884 -12.620 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.118 -7.672 -13.640 1.00 0.00 H new ATOM 373 N ALA A 26 -0.500 -13.701 -8.805 1.00 0.00 N ATOM 374 CA ALA A 26 -0.191 -15.049 -8.370 1.00 0.00 C ATOM 375 C ALA A 26 0.883 -14.984 -7.274 1.00 0.00 C ATOM 376 O ALA A 26 0.794 -15.717 -6.292 1.00 0.00 O ATOM 377 CB ALA A 26 0.281 -15.869 -9.574 1.00 0.00 C ATOM 0 H ALA A 26 -0.271 -13.518 -9.782 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.074 -15.535 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.515 -16.884 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.508 -15.899 -10.326 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.172 -15.409 -10.001 1.00 0.00 H new ATOM 383 N GLU A 27 1.869 -14.096 -7.417 1.00 0.00 N ATOM 384 CA GLU A 27 2.948 -13.952 -6.447 1.00 0.00 C ATOM 385 C GLU A 27 2.453 -13.209 -5.209 1.00 0.00 C ATOM 386 O GLU A 27 2.801 -13.593 -4.090 1.00 0.00 O ATOM 387 CB GLU A 27 4.137 -13.220 -7.082 1.00 0.00 C ATOM 388 CG GLU A 27 4.878 -14.126 -8.081 1.00 0.00 C ATOM 389 CD GLU A 27 6.087 -13.447 -8.729 1.00 0.00 C ATOM 390 OE1 GLU A 27 6.467 -12.342 -8.300 1.00 0.00 O ATOM 391 OE2 GLU A 27 6.685 -14.017 -9.673 1.00 0.00 O ATOM 0 H GLU A 27 1.939 -13.458 -8.210 1.00 0.00 H new ATOM 0 HA GLU A 27 3.279 -14.944 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.785 -12.323 -7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.826 -12.894 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.209 -15.029 -7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.184 -14.439 -8.861 1.00 0.00 H new ATOM 398 N VAL A 28 1.610 -12.184 -5.404 1.00 0.00 N ATOM 399 CA VAL A 28 1.032 -11.370 -4.335 1.00 0.00 C ATOM 400 C VAL A 28 0.382 -12.264 -3.277 1.00 0.00 C ATOM 401 O VAL A 28 0.567 -12.006 -2.093 1.00 0.00 O ATOM 402 CB VAL A 28 -0.006 -10.378 -4.910 1.00 0.00 C ATOM 403 CG1 VAL A 28 -0.712 -9.605 -3.791 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.615 -9.338 -5.849 1.00 0.00 C ATOM 0 H VAL A 28 1.307 -11.895 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 28 1.833 -10.799 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.709 -10.996 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.436 -8.916 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.227 -10.306 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.024 -9.043 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.164 -8.671 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.362 -8.758 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.089 -9.844 -6.690 1.00 0.00 H new ATOM 414 N ALA A 29 -0.375 -13.292 -3.683 1.00 0.00 N ATOM 415 CA ALA A 29 -1.065 -14.193 -2.764 1.00 0.00 C ATOM 416 C ALA A 29 -0.169 -14.835 -1.705 1.00 0.00 C ATOM 417 O ALA A 29 -0.668 -15.124 -0.618 1.00 0.00 O ATOM 418 CB ALA A 29 -1.776 -15.293 -3.558 1.00 0.00 C ATOM 0 H ALA A 29 -0.524 -13.519 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.775 -13.570 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.290 -15.964 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.501 -14.842 -4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.043 -15.857 -4.135 1.00 0.00 H new ATOM 424 N GLU A 30 1.110 -15.063 -2.001 1.00 0.00 N ATOM 425 CA GLU A 30 2.032 -15.678 -1.054 1.00 0.00 C ATOM 426 C GLU A 30 2.588 -14.669 -0.045 1.00 0.00 C ATOM 427 O GLU A 30 3.224 -15.076 0.927 1.00 0.00 O ATOM 428 CB GLU A 30 3.242 -16.263 -1.802 1.00 0.00 C ATOM 429 CG GLU A 30 2.911 -17.241 -2.938 1.00 0.00 C ATOM 430 CD GLU A 30 4.177 -17.894 -3.502 1.00 0.00 C ATOM 431 OE1 GLU A 30 5.223 -17.212 -3.600 1.00 0.00 O ATOM 432 OE2 GLU A 30 4.142 -19.094 -3.860 1.00 0.00 O ATOM 0 H GLU A 30 1.532 -14.827 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 30 1.464 -16.447 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.824 -15.439 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.880 -16.774 -1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.235 -18.013 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.387 -16.712 -3.734 1.00 0.00 H new ATOM 439 N LEU A 31 2.411 -13.364 -0.259 1.00 0.00 N ATOM 440 CA LEU A 31 2.943 -12.335 0.623 1.00 0.00 C ATOM 441 C LEU A 31 2.098 -12.084 1.864 1.00 0.00 C ATOM 442 O LEU A 31 2.647 -11.929 2.954 1.00 0.00 O ATOM 443 CB LEU A 31 3.069 -11.012 -0.147 1.00 0.00 C ATOM 444 CG LEU A 31 3.913 -11.073 -1.434 1.00 0.00 C ATOM 445 CD1 LEU A 31 3.850 -9.710 -2.126 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.366 -11.443 -1.135 1.00 0.00 C ATOM 0 H LEU A 31 1.891 -12.994 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 31 3.912 -12.704 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.068 -10.665 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.504 -10.265 0.517 1.00 0.00 H new ATOM 0 HG LEU A 31 3.507 -11.847 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.444 -9.738 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.815 -9.475 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.247 -8.945 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.932 -11.477 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.803 -10.696 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.401 -12.420 -0.654 1.00 0.00 H new ATOM 458 N LEU A 32 0.778 -12.001 1.707 1.00 0.00 N ATOM 459 CA LEU A 32 -0.137 -11.717 2.805 1.00 0.00 C ATOM 460 C LEU A 32 -0.536 -12.989 3.558 1.00 0.00 C ATOM 461 O LEU A 32 -0.798 -14.028 2.947 1.00 0.00 O ATOM 462 CB LEU A 32 -1.382 -10.958 2.300 1.00 0.00 C ATOM 463 CG LEU A 32 -1.163 -9.942 1.151 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.401 -10.604 -0.209 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.114 -8.752 1.211 1.00 0.00 C ATOM 0 H LEU A 32 0.313 -12.130 0.808 1.00 0.00 H new ATOM 0 HA LEU A 32 0.390 -11.076 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.116 -11.692 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.821 -10.427 3.144 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.135 -9.599 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.242 -9.873 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.706 -11.434 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.424 -10.976 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.908 -8.079 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.143 -9.105 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.972 -8.220 2.152 1.00 0.00 H new ATOM 477 N VAL A 33 -0.651 -12.886 4.883 1.00 0.00 N ATOM 478 CA VAL A 33 -1.022 -13.985 5.777 1.00 0.00 C ATOM 479 C VAL A 33 -2.001 -13.537 6.872 1.00 0.00 C ATOM 480 O VAL A 33 -2.860 -14.325 7.277 1.00 0.00 O ATOM 481 CB VAL A 33 0.246 -14.610 6.407 1.00 0.00 C ATOM 482 CG1 VAL A 33 -0.100 -15.917 7.137 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.362 -14.892 5.388 1.00 0.00 C ATOM 0 H VAL A 33 -0.484 -12.010 5.379 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.534 -14.737 5.177 1.00 0.00 H new ATOM 0 HB VAL A 33 0.622 -13.866 7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.805 -16.341 7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.822 -15.712 7.927 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.528 -16.627 6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.220 -15.329 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.997 -15.587 4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.662 -13.960 4.909 1.00 0.00 H new ATOM 493 N HIS A 34 -1.945 -12.283 7.324 1.00 0.00 N ATOM 494 CA HIS A 34 -2.810 -11.768 8.378 1.00 0.00 C ATOM 495 C HIS A 34 -3.633 -10.578 7.899 1.00 0.00 C ATOM 496 O HIS A 34 -3.318 -9.936 6.897 1.00 0.00 O ATOM 497 CB HIS A 34 -1.925 -11.403 9.576 1.00 0.00 C ATOM 498 CG HIS A 34 -1.103 -12.576 10.057 1.00 0.00 C ATOM 499 ND1 HIS A 34 -1.573 -13.656 10.768 1.00 0.00 N ATOM 500 CD2 HIS A 34 0.210 -12.817 9.753 1.00 0.00 C ATOM 501 CE1 HIS A 34 -0.564 -14.538 10.877 1.00 0.00 C ATOM 502 NE2 HIS A 34 0.549 -14.063 10.293 1.00 0.00 N ATOM 0 H HIS A 34 -1.289 -11.591 6.962 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.532 -12.530 8.671 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.260 -10.585 9.298 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.551 -11.042 10.392 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.866 -12.164 9.197 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.638 -15.498 11.367 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.460 -14.520 10.251 1.00 0.00 H new ATOM 510 N SER A 35 -4.737 -10.302 8.591 1.00 0.00 N ATOM 511 CA SER A 35 -5.598 -9.185 8.252 1.00 0.00 C ATOM 512 C SER A 35 -4.789 -7.917 8.508 1.00 0.00 C ATOM 513 O SER A 35 -4.128 -7.811 9.543 1.00 0.00 O ATOM 514 CB SER A 35 -6.900 -9.219 9.064 1.00 0.00 C ATOM 515 OG SER A 35 -6.663 -9.123 10.454 1.00 0.00 O ATOM 0 H SER A 35 -5.053 -10.845 9.395 1.00 0.00 H new ATOM 0 HA SER A 35 -5.907 -9.229 7.208 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.544 -8.398 8.749 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.435 -10.144 8.851 1.00 0.00 H new ATOM 0 HG SER A 35 -7.517 -9.147 10.934 1.00 0.00 H new ATOM 521 N GLY A 36 -4.843 -6.936 7.613 1.00 0.00 N ATOM 522 CA GLY A 36 -4.093 -5.709 7.796 1.00 0.00 C ATOM 523 C GLY A 36 -2.770 -5.741 7.048 1.00 0.00 C ATOM 524 O GLY A 36 -2.148 -4.680 6.950 1.00 0.00 O ATOM 0 H GLY A 36 -5.398 -6.971 6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.687 -4.864 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.907 -5.552 8.858 1.00 0.00 H new ATOM 528 N ASP A 37 -2.352 -6.905 6.536 1.00 0.00 N ATOM 529 CA ASP A 37 -1.126 -7.050 5.761 1.00 0.00 C ATOM 530 C ASP A 37 -1.403 -6.344 4.441 1.00 0.00 C ATOM 531 O ASP A 37 -2.468 -6.568 3.866 1.00 0.00 O ATOM 532 CB ASP A 37 -0.816 -8.520 5.400 1.00 0.00 C ATOM 533 CG ASP A 37 -0.004 -9.320 6.417 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.686 -8.718 7.268 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.045 -10.562 6.286 1.00 0.00 O ATOM 0 H ASP A 37 -2.865 -7.779 6.653 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.290 -6.656 6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.762 -9.037 5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.279 -8.531 4.451 1.00 0.00 H new ATOM 540 N PHE A 38 -0.478 -5.532 3.934 1.00 0.00 N ATOM 541 CA PHE A 38 -0.628 -4.836 2.664 1.00 0.00 C ATOM 542 C PHE A 38 0.693 -4.715 1.906 1.00 0.00 C ATOM 543 O PHE A 38 1.773 -4.879 2.474 1.00 0.00 O ATOM 544 CB PHE A 38 -1.241 -3.442 2.877 1.00 0.00 C ATOM 545 CG PHE A 38 -0.287 -2.396 3.425 1.00 0.00 C ATOM 546 CD1 PHE A 38 -0.076 -2.284 4.812 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.403 -1.538 2.544 1.00 0.00 C ATOM 548 CE1 PHE A 38 0.829 -1.329 5.309 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.284 -0.572 3.056 1.00 0.00 C ATOM 550 CZ PHE A 38 1.494 -0.461 4.433 1.00 0.00 C ATOM 0 H PHE A 38 0.407 -5.338 4.402 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.302 -5.438 2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.637 -3.087 1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.086 -3.534 3.560 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.608 -2.931 5.494 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.254 -1.624 1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.012 -1.264 6.371 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.804 0.091 2.380 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.166 0.291 4.820 1.00 0.00 H new ATOM 560 N LEU A 39 0.596 -4.406 0.611 1.00 0.00 N ATOM 561 CA LEU A 39 1.703 -4.219 -0.323 1.00 0.00 C ATOM 562 C LEU A 39 1.219 -3.409 -1.528 1.00 0.00 C ATOM 563 O LEU A 39 0.006 -3.223 -1.697 1.00 0.00 O ATOM 564 CB LEU A 39 2.327 -5.583 -0.701 1.00 0.00 C ATOM 565 CG LEU A 39 1.704 -6.528 -1.749 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.209 -6.682 -1.524 1.00 0.00 C ATOM 567 CD2 LEU A 39 1.986 -6.126 -3.201 1.00 0.00 C ATOM 0 H LEU A 39 -0.310 -4.272 0.163 1.00 0.00 H new ATOM 0 HA LEU A 39 2.503 -3.646 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.344 -5.377 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.406 -6.155 0.224 1.00 0.00 H new ATOM 0 HG LEU A 39 2.196 -7.489 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.205 -7.353 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.031 -7.096 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.273 -5.708 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.514 -6.841 -3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.583 -5.131 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.062 -6.120 -3.375 1.00 0.00 H new ATOM 579 N VAL A 40 2.135 -2.939 -2.374 1.00 0.00 N ATOM 580 CA VAL A 40 1.811 -2.163 -3.569 1.00 0.00 C ATOM 581 C VAL A 40 2.573 -2.744 -4.753 1.00 0.00 C ATOM 582 O VAL A 40 3.802 -2.814 -4.713 1.00 0.00 O ATOM 583 CB VAL A 40 2.173 -0.672 -3.380 1.00 0.00 C ATOM 584 CG1 VAL A 40 1.973 0.161 -4.659 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.351 -0.016 -2.260 1.00 0.00 C ATOM 0 H VAL A 40 3.136 -3.089 -2.246 1.00 0.00 H new ATOM 0 HA VAL A 40 0.738 -2.221 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 40 3.231 -0.676 -3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.244 1.199 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.605 -0.235 -5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.929 0.110 -4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.639 1.031 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.290 -0.080 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.540 -0.533 -1.319 1.00 0.00 H new ATOM 595 N ARG A 41 1.867 -3.167 -5.809 1.00 0.00 N ATOM 596 CA ARG A 41 2.485 -3.689 -7.009 1.00 0.00 C ATOM 597 C ARG A 41 1.937 -2.905 -8.193 1.00 0.00 C ATOM 598 O ARG A 41 0.797 -2.436 -8.154 1.00 0.00 O ATOM 599 CB ARG A 41 2.280 -5.202 -7.117 1.00 0.00 C ATOM 600 CG ARG A 41 0.858 -5.664 -7.418 1.00 0.00 C ATOM 601 CD ARG A 41 -0.153 -5.354 -6.326 1.00 0.00 C ATOM 602 NE ARG A 41 -1.370 -6.189 -6.350 1.00 0.00 N ATOM 603 CZ ARG A 41 -2.266 -6.324 -7.335 1.00 0.00 C ATOM 604 NH1 ARG A 41 -2.009 -6.002 -8.590 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.476 -6.784 -7.062 1.00 0.00 N ATOM 0 H ARG A 41 0.848 -3.152 -5.844 1.00 0.00 H new ATOM 0 HA ARG A 41 3.567 -3.557 -6.986 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.938 -5.583 -7.898 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.599 -5.660 -6.181 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.527 -5.196 -8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.869 -6.740 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.332 -5.473 -5.357 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.446 -4.308 -6.409 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.552 -6.734 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.093 -5.632 -8.844 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.726 -6.124 -9.305 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.723 -7.034 -6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.162 -6.889 -7.809 1.00 0.00 H new ATOM 619 N GLU A 42 2.759 -2.694 -9.209 1.00 0.00 N ATOM 620 CA GLU A 42 2.375 -1.971 -10.417 1.00 0.00 C ATOM 621 C GLU A 42 1.591 -2.925 -11.328 1.00 0.00 C ATOM 622 O GLU A 42 1.701 -4.149 -11.185 1.00 0.00 O ATOM 623 CB GLU A 42 3.662 -1.431 -11.053 1.00 0.00 C ATOM 624 CG GLU A 42 3.428 -0.576 -12.298 1.00 0.00 C ATOM 625 CD GLU A 42 4.760 -0.057 -12.823 1.00 0.00 C ATOM 626 OE1 GLU A 42 5.463 -0.797 -13.544 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.156 1.071 -12.459 1.00 0.00 O ATOM 0 H GLU A 42 3.724 -3.023 -9.221 1.00 0.00 H new ATOM 0 HA GLU A 42 1.720 -1.123 -10.217 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.200 -0.838 -10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.305 -2.271 -11.317 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.928 -1.165 -13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.770 0.260 -12.059 1.00 0.00 H new ATOM 634 N SER A 43 0.738 -2.401 -12.212 1.00 0.00 N ATOM 635 CA SER A 43 -0.027 -3.243 -13.121 1.00 0.00 C ATOM 636 C SER A 43 0.889 -3.779 -14.224 1.00 0.00 C ATOM 637 O SER A 43 1.974 -3.262 -14.486 1.00 0.00 O ATOM 638 CB SER A 43 -1.230 -2.492 -13.699 1.00 0.00 C ATOM 639 OG SER A 43 -2.228 -3.426 -14.083 1.00 0.00 O ATOM 0 H SER A 43 0.564 -1.401 -12.314 1.00 0.00 H new ATOM 0 HA SER A 43 -0.426 -4.090 -12.563 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.630 -1.799 -12.959 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.923 -1.897 -14.559 1.00 0.00 H new ATOM 0 HG SER A 43 -3.000 -2.947 -14.452 1.00 0.00 H new ATOM 645 N GLN A 44 0.443 -4.845 -14.883 1.00 0.00 N ATOM 646 CA GLN A 44 1.197 -5.472 -15.949 1.00 0.00 C ATOM 647 C GLN A 44 1.127 -4.580 -17.188 1.00 0.00 C ATOM 648 O GLN A 44 0.068 -4.472 -17.814 1.00 0.00 O ATOM 649 CB GLN A 44 0.655 -6.872 -16.267 1.00 0.00 C ATOM 650 CG GLN A 44 0.594 -7.853 -15.081 1.00 0.00 C ATOM 651 CD GLN A 44 -0.508 -7.575 -14.055 1.00 0.00 C ATOM 652 OE1 GLN A 44 -1.691 -7.167 -14.482 1.00 0.00 O flip ATOM 653 NE2 GLN A 44 -0.318 -7.734 -12.851 1.00 0.00 N flip ATOM 0 H GLN A 44 -0.452 -5.294 -14.688 1.00 0.00 H new ATOM 0 HA GLN A 44 2.233 -5.589 -15.631 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.349 -6.767 -16.679 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.276 -7.313 -17.047 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.457 -8.861 -15.472 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.556 -7.838 -14.569 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.592 -8.049 -12.516 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.071 -7.551 -12.187 1.00 0.00 H new ATOM 662 N GLY A 45 2.231 -3.923 -17.536 1.00 0.00 N ATOM 663 CA GLY A 45 2.287 -3.071 -18.711 1.00 0.00 C ATOM 664 C GLY A 45 1.720 -1.665 -18.528 1.00 0.00 C ATOM 665 O GLY A 45 1.561 -0.966 -19.534 1.00 0.00 O ATOM 0 H GLY A 45 3.105 -3.969 -17.012 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.326 -2.987 -19.029 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.745 -3.561 -19.520 1.00 0.00 H new ATOM 669 N LYS A 46 1.382 -1.232 -17.308 1.00 0.00 N ATOM 670 CA LYS A 46 0.822 0.100 -17.068 1.00 0.00 C ATOM 671 C LYS A 46 1.402 0.652 -15.780 1.00 0.00 C ATOM 672 O LYS A 46 1.397 -0.058 -14.777 1.00 0.00 O ATOM 673 CB LYS A 46 -0.710 0.043 -16.912 1.00 0.00 C ATOM 674 CG LYS A 46 -1.467 -0.656 -18.048 1.00 0.00 C ATOM 675 CD LYS A 46 -2.906 -1.032 -17.677 1.00 0.00 C ATOM 676 CE LYS A 46 -3.907 0.127 -17.679 1.00 0.00 C ATOM 677 NZ LYS A 46 -3.830 0.975 -16.472 1.00 0.00 N ATOM 0 H LYS A 46 1.489 -1.794 -16.463 1.00 0.00 H new ATOM 0 HA LYS A 46 1.071 0.731 -17.921 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.943 -0.466 -15.977 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.086 1.062 -16.822 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.483 -0.003 -18.920 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.926 -1.558 -18.335 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.256 -1.794 -18.374 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.902 -1.485 -16.685 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.733 0.745 -18.559 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.916 -0.275 -17.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.764 1.391 -16.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.535 0.397 -15.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.137 1.735 -16.626 1.00 0.00 H new ATOM 691 N GLN A 47 1.816 1.918 -15.784 1.00 0.00 N ATOM 692 CA GLN A 47 2.389 2.636 -14.646 1.00 0.00 C ATOM 693 C GLN A 47 1.303 2.996 -13.611 1.00 0.00 C ATOM 694 O GLN A 47 1.276 4.117 -13.103 1.00 0.00 O ATOM 695 CB GLN A 47 3.081 3.907 -15.173 1.00 0.00 C ATOM 696 CG GLN A 47 4.299 3.646 -16.065 1.00 0.00 C ATOM 697 CD GLN A 47 4.716 4.941 -16.757 1.00 0.00 C ATOM 698 OE1 GLN A 47 3.917 5.541 -17.477 1.00 0.00 O ATOM 699 NE2 GLN A 47 5.948 5.380 -16.597 1.00 0.00 N ATOM 0 H GLN A 47 1.758 2.499 -16.620 1.00 0.00 H new ATOM 0 HA GLN A 47 3.115 1.999 -14.141 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.355 4.494 -15.735 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.393 4.514 -14.323 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.124 3.260 -15.467 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.061 2.885 -16.808 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.597 4.871 -15.997 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.253 6.229 -17.073 1.00 0.00 H new ATOM 708 N GLU A 48 0.328 2.122 -13.367 1.00 0.00 N ATOM 709 CA GLU A 48 -0.739 2.353 -12.404 1.00 0.00 C ATOM 710 C GLU A 48 -0.501 1.411 -11.227 1.00 0.00 C ATOM 711 O GLU A 48 -0.542 0.184 -11.393 1.00 0.00 O ATOM 712 CB GLU A 48 -2.110 2.136 -13.053 1.00 0.00 C ATOM 713 CG GLU A 48 -3.248 2.686 -12.175 1.00 0.00 C ATOM 714 CD GLU A 48 -3.608 4.135 -12.536 1.00 0.00 C ATOM 715 OE1 GLU A 48 -2.728 5.028 -12.460 1.00 0.00 O ATOM 716 OE2 GLU A 48 -4.758 4.331 -13.005 1.00 0.00 O ATOM 0 H GLU A 48 0.259 1.222 -13.841 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.732 3.384 -12.051 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.133 2.625 -14.027 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.266 1.071 -13.227 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.130 2.055 -12.288 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.953 2.637 -11.127 1.00 0.00 H new ATOM 723 N TYR A 49 -0.175 1.978 -10.069 1.00 0.00 N ATOM 724 CA TYR A 49 0.073 1.225 -8.855 1.00 0.00 C ATOM 725 C TYR A 49 -1.254 0.728 -8.280 1.00 0.00 C ATOM 726 O TYR A 49 -2.304 1.365 -8.397 1.00 0.00 O ATOM 727 CB TYR A 49 0.839 2.090 -7.847 1.00 0.00 C ATOM 728 CG TYR A 49 2.201 2.592 -8.312 1.00 0.00 C ATOM 729 CD1 TYR A 49 3.123 1.731 -8.945 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.555 3.935 -8.094 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.375 2.212 -9.376 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.821 4.406 -8.485 1.00 0.00 C ATOM 733 CZ TYR A 49 4.737 3.555 -9.134 1.00 0.00 C ATOM 734 OH TYR A 49 5.936 4.064 -9.539 1.00 0.00 O ATOM 0 H TYR A 49 -0.076 2.986 -9.951 1.00 0.00 H new ATOM 0 HA TYR A 49 0.691 0.356 -9.080 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.222 2.951 -7.592 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.977 1.514 -6.932 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.866 0.694 -9.100 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.852 4.607 -7.625 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.058 1.553 -9.892 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.094 5.432 -8.285 1.00 0.00 H new ATOM 0 HH TYR A 49 5.996 5.007 -9.279 1.00 0.00 H new ATOM 744 N VAL A 50 -1.202 -0.418 -7.609 1.00 0.00 N ATOM 745 CA VAL A 50 -2.349 -1.058 -7.001 1.00 0.00 C ATOM 746 C VAL A 50 -1.983 -1.528 -5.607 1.00 0.00 C ATOM 747 O VAL A 50 -0.972 -2.207 -5.411 1.00 0.00 O ATOM 748 CB VAL A 50 -2.804 -2.241 -7.879 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.848 -3.106 -7.154 1.00 0.00 C ATOM 750 CG2 VAL A 50 -3.368 -1.730 -9.213 1.00 0.00 C ATOM 0 H VAL A 50 -0.334 -0.936 -7.473 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.173 -0.349 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.933 -2.864 -8.079 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.148 -3.931 -7.800 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.417 -3.503 -6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.720 -2.498 -6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.685 -2.577 -9.822 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.222 -1.080 -9.022 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.598 -1.170 -9.743 1.00 0.00 H new ATOM 760 N LEU A 51 -2.806 -1.148 -4.637 1.00 0.00 N ATOM 761 CA LEU A 51 -2.644 -1.542 -3.257 1.00 0.00 C ATOM 762 C LEU A 51 -3.341 -2.889 -3.130 1.00 0.00 C ATOM 763 O LEU A 51 -4.400 -3.123 -3.722 1.00 0.00 O ATOM 764 CB LEU A 51 -3.394 -0.555 -2.348 1.00 0.00 C ATOM 765 CG LEU A 51 -3.241 -0.846 -0.844 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.885 -0.374 -0.320 1.00 0.00 C ATOM 767 CD2 LEU A 51 -4.387 -0.193 -0.071 1.00 0.00 C ATOM 0 H LEU A 51 -3.615 -0.548 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.591 -1.572 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.035 0.454 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.453 -0.574 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.286 -1.925 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.810 -0.594 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.088 -0.891 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.789 0.701 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.274 -0.402 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.368 0.885 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.338 -0.595 -0.421 1.00 0.00 H new ATOM 779 N SER A 52 -2.779 -3.824 -2.389 1.00 0.00 N ATOM 780 CA SER A 52 -3.412 -5.101 -2.158 1.00 0.00 C ATOM 781 C SER A 52 -3.214 -5.372 -0.691 1.00 0.00 C ATOM 782 O SER A 52 -2.104 -5.252 -0.184 1.00 0.00 O ATOM 783 CB SER A 52 -2.862 -6.158 -3.097 1.00 0.00 C ATOM 784 OG SER A 52 -3.439 -5.873 -4.352 1.00 0.00 O ATOM 0 H SER A 52 -1.873 -3.717 -1.933 1.00 0.00 H new ATOM 0 HA SER A 52 -4.479 -5.110 -2.382 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.774 -6.115 -3.145 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.127 -7.160 -2.760 1.00 0.00 H new ATOM 0 HG SER A 52 -4.327 -6.283 -4.404 1.00 0.00 H new ATOM 790 N VAL A 53 -4.307 -5.655 0.001 1.00 0.00 N ATOM 791 CA VAL A 53 -4.252 -5.944 1.420 1.00 0.00 C ATOM 792 C VAL A 53 -5.076 -7.187 1.691 1.00 0.00 C ATOM 793 O VAL A 53 -5.947 -7.523 0.893 1.00 0.00 O ATOM 794 CB VAL A 53 -4.674 -4.724 2.265 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.630 -3.356 1.571 1.00 0.00 C ATOM 796 CG2 VAL A 53 -6.005 -4.881 2.951 1.00 0.00 C ATOM 0 H VAL A 53 -5.244 -5.690 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.225 -6.148 1.723 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.878 -4.719 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.949 -2.583 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.612 -3.148 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.297 -3.364 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.228 -3.981 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.783 -5.038 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.969 -5.739 3.623 1.00 0.00 H new ATOM 806 N LEU A 54 -4.818 -7.863 2.802 1.00 0.00 N ATOM 807 CA LEU A 54 -5.535 -9.055 3.200 1.00 0.00 C ATOM 808 C LEU A 54 -6.434 -8.681 4.358 1.00 0.00 C ATOM 809 O LEU A 54 -6.038 -7.939 5.258 1.00 0.00 O ATOM 810 CB LEU A 54 -4.535 -10.149 3.574 1.00 0.00 C ATOM 811 CG LEU A 54 -5.147 -11.451 4.112 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.058 -12.103 3.074 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.030 -12.436 4.442 1.00 0.00 C ATOM 0 H LEU A 54 -4.089 -7.589 3.461 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.148 -9.447 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.937 -10.386 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.853 -9.751 4.325 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.730 -11.206 5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.476 -13.022 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.867 -11.418 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.482 -12.334 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.462 -13.361 4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.455 -12.649 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.374 -12.003 5.197 1.00 0.00 H new ATOM 825 N TRP A 55 -7.661 -9.177 4.323 1.00 0.00 N ATOM 826 CA TRP A 55 -8.649 -8.955 5.350 1.00 0.00 C ATOM 827 C TRP A 55 -9.602 -10.127 5.243 1.00 0.00 C ATOM 828 O TRP A 55 -9.992 -10.492 4.132 1.00 0.00 O ATOM 829 CB TRP A 55 -9.380 -7.639 5.128 1.00 0.00 C ATOM 830 CG TRP A 55 -10.029 -7.113 6.366 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.313 -7.306 6.746 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.432 -6.260 7.384 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.551 -6.605 7.911 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.439 -5.905 8.324 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.141 -5.731 7.590 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.194 -5.021 9.382 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -7.879 -4.870 8.669 1.00 0.00 C ATOM 838 CH2 TRP A 55 -8.903 -4.499 9.557 1.00 0.00 C ATOM 0 H TRP A 55 -7.999 -9.759 3.557 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.197 -8.888 6.339 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.675 -6.898 4.752 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.139 -7.777 4.358 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.037 -7.912 6.221 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.443 -6.605 8.406 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.344 -5.991 6.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.991 -4.744 10.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.879 -4.489 8.818 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.698 -3.817 10.369 1.00 0.00 H new ATOM 849 N ASP A 56 -9.951 -10.734 6.373 1.00 0.00 N ATOM 850 CA ASP A 56 -10.863 -11.869 6.429 1.00 0.00 C ATOM 851 C ASP A 56 -10.502 -12.983 5.423 1.00 0.00 C ATOM 852 O ASP A 56 -11.346 -13.531 4.710 1.00 0.00 O ATOM 853 CB ASP A 56 -12.294 -11.343 6.304 1.00 0.00 C ATOM 854 CG ASP A 56 -13.325 -12.458 6.383 1.00 0.00 C ATOM 855 OD1 ASP A 56 -13.163 -13.408 7.183 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.345 -12.370 5.659 1.00 0.00 O ATOM 0 H ASP A 56 -9.603 -10.447 7.288 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.768 -12.370 7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.483 -10.619 7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.404 -10.815 5.357 1.00 0.00 H new ATOM 861 N GLY A 57 -9.208 -13.292 5.313 1.00 0.00 N ATOM 862 CA GLY A 57 -8.702 -14.332 4.431 1.00 0.00 C ATOM 863 C GLY A 57 -8.831 -14.074 2.927 1.00 0.00 C ATOM 864 O GLY A 57 -8.593 -15.017 2.171 1.00 0.00 O ATOM 0 H GLY A 57 -8.477 -12.817 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.649 -14.492 4.661 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.223 -15.261 4.664 1.00 0.00 H new ATOM 868 N LEU A 58 -9.210 -12.879 2.454 1.00 0.00 N ATOM 869 CA LEU A 58 -9.331 -12.584 1.023 1.00 0.00 C ATOM 870 C LEU A 58 -8.517 -11.325 0.695 1.00 0.00 C ATOM 871 O LEU A 58 -8.785 -10.276 1.284 1.00 0.00 O ATOM 872 CB LEU A 58 -10.813 -12.465 0.626 1.00 0.00 C ATOM 873 CG LEU A 58 -11.007 -12.607 -0.899 1.00 0.00 C ATOM 874 CD1 LEU A 58 -12.348 -13.273 -1.228 1.00 0.00 C ATOM 875 CD2 LEU A 58 -10.911 -11.271 -1.641 1.00 0.00 C ATOM 0 H LEU A 58 -9.442 -12.089 3.056 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.920 -13.402 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.391 -13.234 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.202 -11.501 0.954 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.188 -13.239 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.456 -13.359 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.381 -14.266 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.162 -12.668 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.056 -11.437 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.681 -10.593 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -9.928 -10.831 -1.472 1.00 0.00 H new ATOM 887 N PRO A 59 -7.512 -11.380 -0.200 1.00 0.00 N ATOM 888 CA PRO A 59 -6.707 -10.220 -0.546 1.00 0.00 C ATOM 889 C PRO A 59 -7.512 -9.226 -1.394 1.00 0.00 C ATOM 890 O PRO A 59 -7.739 -9.429 -2.589 1.00 0.00 O ATOM 891 CB PRO A 59 -5.460 -10.757 -1.241 1.00 0.00 C ATOM 892 CG PRO A 59 -5.959 -12.032 -1.903 1.00 0.00 C ATOM 893 CD PRO A 59 -7.063 -12.533 -0.968 1.00 0.00 C ATOM 0 HA PRO A 59 -6.410 -9.647 0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.069 -10.049 -1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.658 -10.958 -0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.343 -11.837 -2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.160 -12.766 -2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.887 -12.964 -1.537 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.687 -13.315 -0.309 1.00 0.00 H new ATOM 901 N ARG A 60 -8.035 -8.178 -0.762 1.00 0.00 N ATOM 902 CA ARG A 60 -8.812 -7.129 -1.398 1.00 0.00 C ATOM 903 C ARG A 60 -7.849 -6.225 -2.163 1.00 0.00 C ATOM 904 O ARG A 60 -6.930 -5.643 -1.579 1.00 0.00 O ATOM 905 CB ARG A 60 -9.560 -6.313 -0.336 1.00 0.00 C ATOM 906 CG ARG A 60 -10.530 -7.091 0.565 1.00 0.00 C ATOM 907 CD ARG A 60 -11.737 -7.696 -0.159 1.00 0.00 C ATOM 908 NE ARG A 60 -12.663 -6.672 -0.698 1.00 0.00 N ATOM 909 CZ ARG A 60 -13.998 -6.668 -0.561 1.00 0.00 C ATOM 910 NH1 ARG A 60 -14.621 -7.640 0.085 1.00 0.00 N ATOM 911 NH2 ARG A 60 -14.719 -5.679 -1.079 1.00 0.00 N ATOM 0 H ARG A 60 -7.923 -8.035 0.242 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.545 -7.563 -2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.823 -5.822 0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.120 -5.526 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.981 -7.893 1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.891 -6.424 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.385 -8.326 -0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.280 -8.342 0.530 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.248 -5.900 -1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.086 -8.409 0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.636 -7.621 0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.258 -4.921 -1.582 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.734 -5.678 -0.974 1.00 0.00 H new ATOM 925 N HIS A 61 -8.018 -6.125 -3.478 1.00 0.00 N ATOM 926 CA HIS A 61 -7.186 -5.278 -4.314 1.00 0.00 C ATOM 927 C HIS A 61 -7.900 -3.933 -4.413 1.00 0.00 C ATOM 928 O HIS A 61 -9.094 -3.899 -4.728 1.00 0.00 O ATOM 929 CB HIS A 61 -7.010 -5.934 -5.691 1.00 0.00 C ATOM 930 CG HIS A 61 -6.488 -7.350 -5.616 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.452 -7.797 -4.826 1.00 0.00 N ATOM 932 CD2 HIS A 61 -6.992 -8.431 -6.285 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.316 -9.115 -5.034 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.223 -9.545 -5.927 1.00 0.00 N ATOM 0 H HIS A 61 -8.739 -6.632 -3.991 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.188 -5.139 -3.898 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.968 -5.934 -6.211 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.324 -5.332 -6.287 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.831 -8.426 -6.966 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.581 -9.742 -4.552 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.330 -10.497 -6.276 1.00 0.00 H new ATOM 942 N PHE A 62 -7.199 -2.830 -4.172 1.00 0.00 N ATOM 943 CA PHE A 62 -7.734 -1.483 -4.234 1.00 0.00 C ATOM 944 C PHE A 62 -6.866 -0.669 -5.188 1.00 0.00 C ATOM 945 O PHE A 62 -5.663 -0.526 -4.968 1.00 0.00 O ATOM 946 CB PHE A 62 -7.772 -0.864 -2.832 1.00 0.00 C ATOM 947 CG PHE A 62 -8.593 -1.646 -1.824 1.00 0.00 C ATOM 948 CD1 PHE A 62 -9.999 -1.575 -1.850 1.00 0.00 C ATOM 949 CD2 PHE A 62 -7.959 -2.452 -0.860 1.00 0.00 C ATOM 950 CE1 PHE A 62 -10.757 -2.281 -0.901 1.00 0.00 C ATOM 951 CE2 PHE A 62 -8.716 -3.120 0.113 1.00 0.00 C ATOM 952 CZ PHE A 62 -10.116 -3.022 0.109 1.00 0.00 C ATOM 0 H PHE A 62 -6.211 -2.855 -3.920 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.758 -1.493 -4.606 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.751 -0.774 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.175 0.146 -2.905 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.495 -0.977 -2.600 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.884 -2.556 -0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.836 -2.255 -0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.220 -3.712 0.868 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.697 -3.512 0.876 1.00 0.00 H new ATOM 962 N ILE A 63 -7.443 -0.241 -6.312 1.00 0.00 N ATOM 963 CA ILE A 63 -6.715 0.576 -7.274 1.00 0.00 C ATOM 964 C ILE A 63 -6.571 1.930 -6.582 1.00 0.00 C ATOM 965 O ILE A 63 -7.545 2.414 -5.998 1.00 0.00 O ATOM 966 CB ILE A 63 -7.464 0.713 -8.621 1.00 0.00 C ATOM 967 CG1 ILE A 63 -8.031 -0.619 -9.160 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.554 1.374 -9.671 1.00 0.00 C ATOM 969 CD1 ILE A 63 -7.013 -1.745 -9.353 1.00 0.00 C ATOM 0 H ILE A 63 -8.407 -0.447 -6.574 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.756 0.129 -7.536 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.328 1.348 -8.425 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.804 -0.967 -8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.516 -0.425 -10.117 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.093 1.465 -10.614 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.259 2.365 -9.325 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.664 0.762 -9.819 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.519 -2.632 -9.734 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.251 -1.428 -10.065 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.543 -1.978 -8.398 1.00 0.00 H new ATOM 981 N ILE A 64 -5.373 2.493 -6.581 1.00 0.00 N ATOM 982 CA ILE A 64 -5.107 3.783 -5.961 1.00 0.00 C ATOM 983 C ILE A 64 -5.614 4.843 -6.947 1.00 0.00 C ATOM 984 O ILE A 64 -5.259 4.771 -8.126 1.00 0.00 O ATOM 985 CB ILE A 64 -3.589 3.901 -5.675 1.00 0.00 C ATOM 986 CG1 ILE A 64 -3.100 2.751 -4.758 1.00 0.00 C ATOM 987 CG2 ILE A 64 -3.271 5.264 -5.040 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.582 2.724 -4.550 1.00 0.00 C ATOM 0 H ILE A 64 -4.553 2.066 -7.012 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.612 3.912 -5.004 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.059 3.821 -6.624 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.588 2.841 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.415 1.799 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.201 5.333 -4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.568 6.061 -5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.819 5.365 -4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.319 1.892 -3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.085 2.602 -5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.261 3.660 -4.092 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.516 5.744 -6.535 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.991 6.788 -7.426 1.00 0.00 C ATOM 1002 C GLN A 65 -5.849 7.787 -7.612 1.00 0.00 C ATOM 1003 O GLN A 65 -4.909 7.867 -6.818 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.249 7.475 -6.870 1.00 0.00 C ATOM 1005 CG GLN A 65 -9.534 6.688 -7.147 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.560 5.288 -6.552 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -9.985 5.079 -5.422 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -9.162 4.274 -7.308 1.00 0.00 N ATOM 0 H GLN A 65 -6.922 5.764 -5.600 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.279 6.359 -8.386 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.137 7.610 -5.794 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.337 8.469 -7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.381 7.251 -6.755 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.673 6.613 -8.225 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.808 4.447 -8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.210 3.321 -6.949 1.00 0.00 H new ATOM 1017 N SER A 66 -5.949 8.545 -8.693 1.00 0.00 N ATOM 1018 CA SER A 66 -5.001 9.552 -9.104 1.00 0.00 C ATOM 1019 C SER A 66 -5.805 10.528 -9.956 1.00 0.00 C ATOM 1020 O SER A 66 -6.372 10.122 -10.980 1.00 0.00 O ATOM 1021 CB SER A 66 -3.895 8.822 -9.881 1.00 0.00 C ATOM 1022 OG SER A 66 -2.765 9.627 -10.116 1.00 0.00 O ATOM 0 H SER A 66 -6.737 8.465 -9.336 1.00 0.00 H new ATOM 0 HA SER A 66 -4.520 10.104 -8.297 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.593 7.935 -9.325 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.295 8.479 -10.835 1.00 0.00 H new ATOM 0 HG SER A 66 -2.117 9.500 -9.392 1.00 0.00 H new ATOM 1028 N LEU A 67 -5.964 11.771 -9.495 1.00 0.00 N ATOM 1029 CA LEU A 67 -6.718 12.792 -10.214 1.00 0.00 C ATOM 1030 C LEU A 67 -6.147 14.186 -9.978 1.00 0.00 C ATOM 1031 O LEU A 67 -5.416 14.706 -10.817 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.232 12.691 -9.928 1.00 0.00 C ATOM 1033 CG LEU A 67 -8.728 12.078 -8.599 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -8.338 12.855 -7.337 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -10.255 11.988 -8.643 1.00 0.00 C ATOM 0 H LEU A 67 -5.572 12.095 -8.611 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.604 12.601 -11.281 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.642 13.699 -9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.677 12.113 -10.738 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.242 11.105 -8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.733 12.344 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.252 12.912 -7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.752 13.862 -7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.621 11.557 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.675 12.986 -8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.558 11.357 -9.478 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.428 14.783 -8.825 1.00 0.00 N ATOM 1048 CA ASP A 68 -6.009 16.113 -8.367 1.00 0.00 C ATOM 1049 C ASP A 68 -4.520 16.151 -7.989 1.00 0.00 C ATOM 1050 O ASP A 68 -4.107 16.918 -7.125 1.00 0.00 O ATOM 1051 CB ASP A 68 -6.921 16.489 -7.185 1.00 0.00 C ATOM 1052 CG ASP A 68 -6.667 17.879 -6.595 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -6.464 18.863 -7.333 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -6.739 17.995 -5.346 1.00 0.00 O ATOM 0 H ASP A 68 -7.002 14.314 -8.125 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.113 16.842 -9.170 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.959 16.433 -7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.795 15.747 -6.397 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.681 15.316 -8.613 1.00 0.00 N ATOM 1060 CA ASN A 69 -2.238 15.205 -8.348 1.00 0.00 C ATOM 1061 C ASN A 69 -1.995 14.653 -6.934 1.00 0.00 C ATOM 1062 O ASN A 69 -0.870 14.685 -6.431 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.482 16.535 -8.556 1.00 0.00 C ATOM 1064 CG ASN A 69 -1.906 17.287 -9.806 1.00 0.00 C ATOM 1065 OD1 ASN A 69 -1.753 16.797 -10.923 1.00 0.00 O ATOM 1066 ND2 ASN A 69 -2.492 18.464 -9.671 1.00 0.00 N ATOM 0 H ASN A 69 -3.997 14.676 -9.342 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.835 14.506 -9.080 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.641 17.173 -7.687 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.413 16.331 -8.610 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.819 18.968 -10.495 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.617 18.868 -8.743 1.00 0.00 H new ATOM 1073 N LEU A 70 -3.060 14.204 -6.263 1.00 0.00 N ATOM 1074 CA LEU A 70 -3.080 13.655 -4.927 1.00 0.00 C ATOM 1075 C LEU A 70 -3.721 12.286 -5.039 1.00 0.00 C ATOM 1076 O LEU A 70 -4.815 12.151 -5.599 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.874 14.540 -3.944 1.00 0.00 C ATOM 1078 CG LEU A 70 -3.040 15.663 -3.303 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.862 16.878 -4.209 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.664 16.165 -2.006 1.00 0.00 C ATOM 0 H LEU A 70 -3.991 14.221 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.066 13.600 -4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.719 14.984 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.285 13.911 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.069 15.203 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.265 17.631 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.355 16.577 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.839 17.295 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.044 16.957 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.662 16.555 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.734 15.343 -1.294 1.00 0.00 H new ATOM 1092 N TYR A 71 -3.030 11.280 -4.519 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.482 9.899 -4.519 1.00 0.00 C ATOM 1094 C TYR A 71 -4.156 9.580 -3.197 1.00 0.00 C ATOM 1095 O TYR A 71 -3.753 10.177 -2.190 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.267 8.967 -4.544 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.277 9.220 -5.642 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.529 8.714 -6.924 1.00 0.00 C ATOM 1099 CD2 TYR A 71 -0.077 9.896 -5.358 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.580 8.886 -7.938 1.00 0.00 C ATOM 1101 CE2 TYR A 71 0.880 10.067 -6.367 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.612 9.594 -7.671 1.00 0.00 C ATOM 1103 OH TYR A 71 1.508 9.807 -8.670 1.00 0.00 O ATOM 0 H TYR A 71 -2.120 11.407 -4.076 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.144 9.767 -5.375 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.750 9.048 -3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.622 7.940 -4.629 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.453 8.193 -7.129 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.106 10.282 -4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.759 8.478 -8.922 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.817 10.558 -6.149 1.00 0.00 H new ATOM 0 HH TYR A 71 2.273 10.310 -8.321 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.018 8.547 -3.180 1.00 0.00 N ATOM 1114 CA ARG A 72 -5.785 7.948 -2.108 1.00 0.00 C ATOM 1115 C ARG A 72 -7.011 7.245 -2.704 1.00 0.00 C ATOM 1116 O ARG A 72 -6.954 6.771 -3.833 1.00 0.00 O ATOM 1117 CB ARG A 72 -6.075 8.916 -0.962 1.00 0.00 C ATOM 1118 CG ARG A 72 -7.184 9.951 -1.221 1.00 0.00 C ATOM 1119 CD ARG A 72 -7.975 10.194 0.059 1.00 0.00 C ATOM 1120 NE ARG A 72 -8.312 8.942 0.758 1.00 0.00 N ATOM 1121 CZ ARG A 72 -8.043 8.599 2.035 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -7.400 9.399 2.876 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -8.394 7.410 2.491 1.00 0.00 N ATOM 0 H ARG A 72 -5.208 8.054 -4.052 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.187 7.182 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.346 8.335 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.156 9.450 -0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.747 10.886 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.849 9.595 -2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.396 10.834 0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.893 10.731 -0.181 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.813 8.245 0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.086 10.318 2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.220 9.095 3.833 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.870 6.748 1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.189 7.153 3.457 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.063 7.103 -1.896 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.361 6.512 -2.195 1.00 0.00 C ATOM 1139 C LEU A 73 -10.421 7.591 -1.872 1.00 0.00 C ATOM 1140 O LEU A 73 -10.839 8.331 -2.763 1.00 0.00 O ATOM 1141 CB LEU A 73 -9.560 5.195 -1.413 1.00 0.00 C ATOM 1142 CG LEU A 73 -9.210 3.898 -2.175 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -7.701 3.654 -2.286 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -9.853 2.707 -1.452 1.00 0.00 C ATOM 0 H LEU A 73 -8.020 7.429 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.448 6.227 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.953 5.237 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.601 5.137 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.595 4.007 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.521 2.728 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.236 4.484 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.271 3.576 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.612 1.786 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.470 2.650 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.935 2.838 -1.426 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.772 7.775 -0.591 1.00 0.00 N ATOM 1157 CA GLU A 74 -11.758 8.738 -0.074 1.00 0.00 C ATOM 1158 C GLU A 74 -11.288 9.297 1.290 1.00 0.00 C ATOM 1159 O GLU A 74 -11.223 8.535 2.257 1.00 0.00 O ATOM 1160 CB GLU A 74 -13.108 8.008 0.036 1.00 0.00 C ATOM 1161 CG GLU A 74 -14.337 8.919 0.018 1.00 0.00 C ATOM 1162 CD GLU A 74 -14.376 9.940 1.157 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -14.659 9.547 2.314 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -14.141 11.144 0.898 1.00 0.00 O ATOM 0 H GLU A 74 -10.351 7.224 0.157 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.865 9.592 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.188 7.298 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.117 7.429 0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.368 9.451 -0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.234 8.302 0.067 1.00 0.00 H new ATOM 1171 N GLY A 75 -10.931 10.585 1.390 1.00 0.00 N ATOM 1172 CA GLY A 75 -10.437 11.270 2.595 1.00 0.00 C ATOM 1173 C GLY A 75 -9.321 12.249 2.205 1.00 0.00 C ATOM 1174 O GLY A 75 -9.307 12.721 1.069 1.00 0.00 O ATOM 0 H GLY A 75 -10.982 11.213 0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.252 11.806 3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.061 10.541 3.313 1.00 0.00 H new ATOM 1178 N GLU A 76 -8.386 12.577 3.100 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.268 13.482 2.794 1.00 0.00 C ATOM 1180 C GLU A 76 -6.273 12.731 1.899 1.00 0.00 C ATOM 1181 O GLU A 76 -5.868 11.618 2.253 1.00 0.00 O ATOM 1182 CB GLU A 76 -6.502 13.876 4.061 1.00 0.00 C ATOM 1183 CG GLU A 76 -7.262 14.768 5.047 1.00 0.00 C ATOM 1184 CD GLU A 76 -6.719 14.550 6.460 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -5.608 15.042 6.772 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -7.384 13.803 7.219 1.00 0.00 O ATOM 0 H GLU A 76 -8.380 12.225 4.057 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.676 14.374 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.202 12.966 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.587 14.390 3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.155 15.815 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.327 14.537 5.016 1.00 0.00 H new ATOM 1193 N GLY A 77 -5.944 13.249 0.715 1.00 0.00 N ATOM 1194 CA GLY A 77 -4.992 12.605 -0.188 1.00 0.00 C ATOM 1195 C GLY A 77 -3.614 13.224 0.016 1.00 0.00 C ATOM 1196 O GLY A 77 -3.474 14.162 0.808 1.00 0.00 O ATOM 0 H GLY A 77 -6.329 14.123 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.955 11.533 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.311 12.730 -1.223 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.599 12.740 -0.706 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.240 13.259 -0.557 1.00 0.00 C ATOM 1202 C PHE A 78 -0.490 13.391 -1.879 1.00 0.00 C ATOM 1203 O PHE A 78 -0.809 12.670 -2.827 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.452 12.318 0.356 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.804 12.453 1.819 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -1.984 11.870 2.303 1.00 0.00 C ATOM 1207 CD2 PHE A 78 0.019 13.186 2.693 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.367 12.052 3.634 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.316 13.288 4.050 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.529 12.752 4.516 1.00 0.00 C ATOM 0 H PHE A 78 -2.693 11.994 -1.395 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.328 14.261 -0.136 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.630 11.289 0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.613 12.511 0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.600 11.277 1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.909 13.670 2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.308 11.654 3.984 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.358 13.778 4.737 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.815 12.878 5.550 1.00 0.00 H new ATOM 1220 N PRO A 79 0.570 14.226 -1.916 1.00 0.00 N ATOM 1221 CA PRO A 79 1.394 14.470 -3.102 1.00 0.00 C ATOM 1222 C PRO A 79 2.193 13.252 -3.571 1.00 0.00 C ATOM 1223 O PRO A 79 2.861 13.335 -4.607 1.00 0.00 O ATOM 1224 CB PRO A 79 2.352 15.603 -2.702 1.00 0.00 C ATOM 1225 CG PRO A 79 2.451 15.485 -1.192 1.00 0.00 C ATOM 1226 CD PRO A 79 1.019 15.105 -0.837 1.00 0.00 C ATOM 0 HA PRO A 79 0.750 14.719 -3.946 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.327 15.487 -3.176 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.965 16.577 -3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.168 14.724 -0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.758 16.421 -0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.975 14.598 0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.386 15.989 -0.761 1.00 0.00 H new ATOM 1234 N SER A 80 2.207 12.156 -2.810 1.00 0.00 N ATOM 1235 CA SER A 80 2.931 10.944 -3.179 1.00 0.00 C ATOM 1236 C SER A 80 2.217 9.731 -2.597 1.00 0.00 C ATOM 1237 O SER A 80 1.425 9.855 -1.658 1.00 0.00 O ATOM 1238 CB SER A 80 4.377 11.006 -2.673 1.00 0.00 C ATOM 1239 OG SER A 80 5.245 10.292 -3.527 1.00 0.00 O ATOM 0 H SER A 80 1.715 12.086 -1.919 1.00 0.00 H new ATOM 0 HA SER A 80 2.956 10.860 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.699 12.045 -2.609 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.431 10.593 -1.666 1.00 0.00 H new ATOM 0 HG SER A 80 6.161 10.348 -3.184 1.00 0.00 H new ATOM 1245 N ILE A 81 2.522 8.554 -3.139 1.00 0.00 N ATOM 1246 CA ILE A 81 1.931 7.304 -2.696 1.00 0.00 C ATOM 1247 C ILE A 81 2.338 6.960 -1.247 1.00 0.00 C ATOM 1248 O ILE A 81 1.433 6.682 -0.463 1.00 0.00 O ATOM 1249 CB ILE A 81 2.264 6.139 -3.662 1.00 0.00 C ATOM 1250 CG1 ILE A 81 1.835 6.413 -5.121 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.651 4.810 -3.166 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.354 6.199 -5.438 1.00 0.00 C ATOM 0 H ILE A 81 3.190 8.446 -3.902 1.00 0.00 H new ATOM 0 HA ILE A 81 0.850 7.443 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 81 3.351 6.055 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.093 7.443 -5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.423 5.772 -5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.901 4.011 -3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.051 4.570 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.567 4.910 -3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.171 6.421 -6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.084 5.163 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.250 6.860 -4.817 1.00 0.00 H new ATOM 1264 N PRO A 82 3.630 6.967 -0.837 1.00 0.00 N ATOM 1265 CA PRO A 82 3.995 6.592 0.527 1.00 0.00 C ATOM 1266 C PRO A 82 3.423 7.554 1.556 1.00 0.00 C ATOM 1267 O PRO A 82 3.050 7.126 2.643 1.00 0.00 O ATOM 1268 CB PRO A 82 5.523 6.506 0.570 1.00 0.00 C ATOM 1269 CG PRO A 82 5.976 7.391 -0.582 1.00 0.00 C ATOM 1270 CD PRO A 82 4.836 7.287 -1.595 1.00 0.00 C ATOM 0 HA PRO A 82 3.564 5.627 0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.916 6.860 1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.868 5.480 0.444 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.130 8.420 -0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.919 7.045 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.714 8.224 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.045 6.514 -2.335 1.00 0.00 H new ATOM 1278 N LEU A 83 3.311 8.835 1.201 1.00 0.00 N ATOM 1279 CA LEU A 83 2.761 9.868 2.070 1.00 0.00 C ATOM 1280 C LEU A 83 1.344 9.464 2.489 1.00 0.00 C ATOM 1281 O LEU A 83 0.981 9.562 3.658 1.00 0.00 O ATOM 1282 CB LEU A 83 2.787 11.218 1.333 1.00 0.00 C ATOM 1283 CG LEU A 83 4.016 12.119 1.538 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.115 12.596 2.994 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.319 11.427 1.128 1.00 0.00 C ATOM 0 H LEU A 83 3.605 9.185 0.289 1.00 0.00 H new ATOM 0 HA LEU A 83 3.360 9.975 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.691 11.020 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.904 11.782 1.634 1.00 0.00 H new ATOM 0 HG LEU A 83 3.878 12.983 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.993 13.231 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.221 13.163 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.202 11.733 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.158 12.104 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.457 10.527 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.271 11.157 0.073 1.00 0.00 H new ATOM 1297 N LEU A 84 0.544 8.990 1.530 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.820 8.553 1.786 1.00 0.00 C ATOM 1299 C LEU A 84 -0.811 7.294 2.647 1.00 0.00 C ATOM 1300 O LEU A 84 -1.553 7.227 3.625 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.532 8.352 0.442 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.974 7.820 0.477 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.068 6.290 0.577 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.847 8.543 1.511 1.00 0.00 C ATOM 0 H LEU A 84 0.830 8.901 0.555 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.371 9.308 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.538 9.308 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.934 7.665 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.393 8.064 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.116 5.990 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.578 5.838 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.577 5.954 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.854 8.126 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.419 8.411 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.889 9.606 1.272 1.00 0.00 H new ATOM 1316 N ILE A 85 0.001 6.288 2.304 1.00 0.00 N ATOM 1317 CA ILE A 85 0.070 5.057 3.089 1.00 0.00 C ATOM 1318 C ILE A 85 0.382 5.417 4.545 1.00 0.00 C ATOM 1319 O ILE A 85 -0.261 4.884 5.445 1.00 0.00 O ATOM 1320 CB ILE A 85 1.148 4.097 2.518 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.927 3.644 1.058 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.353 2.851 3.396 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.423 2.991 0.765 1.00 0.00 C ATOM 0 H ILE A 85 0.616 6.304 1.491 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.888 4.540 3.038 1.00 0.00 H new ATOM 0 HB ILE A 85 2.046 4.715 2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.040 4.511 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.716 2.940 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.117 2.214 2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.671 3.157 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.416 2.298 3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.471 2.712 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.538 2.100 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.224 3.695 0.991 1.00 0.00 H new ATOM 1335 N ASP A 86 1.337 6.310 4.795 1.00 0.00 N ATOM 1336 CA ASP A 86 1.700 6.707 6.149 1.00 0.00 C ATOM 1337 C ASP A 86 0.499 7.286 6.896 1.00 0.00 C ATOM 1338 O ASP A 86 0.282 6.938 8.057 1.00 0.00 O ATOM 1339 CB ASP A 86 2.860 7.690 6.094 1.00 0.00 C ATOM 1340 CG ASP A 86 3.397 7.979 7.487 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.249 7.190 7.962 1.00 0.00 O ATOM 1342 OD2 ASP A 86 3.016 9.014 8.071 1.00 0.00 O ATOM 0 H ASP A 86 1.878 6.776 4.066 1.00 0.00 H new ATOM 0 HA ASP A 86 2.019 5.827 6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.656 7.283 5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.532 8.619 5.627 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.329 8.100 6.231 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.512 8.688 6.849 1.00 0.00 C ATOM 1349 C HIS A 87 -2.512 7.607 7.245 1.00 0.00 C ATOM 1350 O HIS A 87 -3.041 7.654 8.354 1.00 0.00 O ATOM 1351 CB HIS A 87 -2.142 9.696 5.886 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.513 10.224 6.257 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -3.802 11.166 7.221 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.680 9.973 5.579 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -5.098 11.491 7.107 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.684 10.779 6.124 1.00 0.00 N ATOM 0 H HIS A 87 -0.195 8.365 5.255 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.217 9.208 7.760 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.465 10.545 5.790 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.211 9.231 4.903 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -3.145 11.549 7.901 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.802 9.274 4.765 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.603 12.223 7.719 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.780 6.618 6.385 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.745 5.555 6.693 1.00 0.00 C ATOM 1366 C LEU A 88 -3.258 4.714 7.865 1.00 0.00 C ATOM 1367 O LEU A 88 -4.035 4.374 8.751 1.00 0.00 O ATOM 1368 CB LEU A 88 -4.035 4.672 5.463 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.171 5.225 4.601 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.739 6.520 3.953 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.604 4.252 3.503 1.00 0.00 C ATOM 0 H LEU A 88 -2.341 6.531 5.468 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.683 6.032 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.132 4.588 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.291 3.666 5.794 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.020 5.385 5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.552 6.909 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.487 7.247 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.866 6.339 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.413 4.696 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.758 4.043 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.950 3.323 3.956 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.971 4.385 7.870 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.314 3.603 8.910 1.00 0.00 C ATOM 1385 C LEU A 89 -1.370 4.378 10.238 1.00 0.00 C ATOM 1386 O LEU A 89 -1.581 3.775 11.291 1.00 0.00 O ATOM 1387 CB LEU A 89 0.141 3.347 8.464 1.00 0.00 C ATOM 1388 CG LEU A 89 0.496 1.954 7.906 1.00 0.00 C ATOM 1389 CD1 LEU A 89 1.941 1.969 7.406 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.373 0.796 8.893 1.00 0.00 C ATOM 0 H LEU A 89 -1.335 4.665 7.124 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.813 2.646 9.063 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.391 4.085 7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.790 3.539 9.318 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.237 1.775 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.199 0.987 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.046 2.717 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.609 2.214 8.232 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.646 -0.135 8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.040 0.966 9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.655 0.730 9.250 1.00 0.00 H new ATOM 1402 N SER A 90 -1.236 5.706 10.204 1.00 0.00 N ATOM 1403 CA SER A 90 -1.271 6.560 11.388 1.00 0.00 C ATOM 1404 C SER A 90 -2.693 6.763 11.929 1.00 0.00 C ATOM 1405 O SER A 90 -2.925 6.631 13.130 1.00 0.00 O ATOM 1406 CB SER A 90 -0.658 7.927 11.043 1.00 0.00 C ATOM 1407 OG SER A 90 0.663 7.775 10.551 1.00 0.00 O ATOM 0 H SER A 90 -1.098 6.225 9.337 1.00 0.00 H new ATOM 0 HA SER A 90 -0.696 6.061 12.168 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.274 8.429 10.297 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.650 8.562 11.929 1.00 0.00 H new ATOM 0 HG SER A 90 0.639 7.667 9.577 1.00 0.00 H new ATOM 1413 N THR A 91 -3.655 7.063 11.054 1.00 0.00 N ATOM 1414 CA THR A 91 -5.046 7.322 11.422 1.00 0.00 C ATOM 1415 C THR A 91 -5.899 6.076 11.649 1.00 0.00 C ATOM 1416 O THR A 91 -6.873 6.149 12.401 1.00 0.00 O ATOM 1417 CB THR A 91 -5.715 8.173 10.331 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.588 7.527 9.084 1.00 0.00 O ATOM 1419 CG2 THR A 91 -5.113 9.567 10.181 1.00 0.00 C ATOM 0 H THR A 91 -3.484 7.134 10.051 1.00 0.00 H new ATOM 0 HA THR A 91 -4.996 7.840 12.380 1.00 0.00 H new ATOM 0 HB THR A 91 -6.755 8.284 10.639 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.781 7.848 8.630 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.637 10.107 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.213 10.110 11.121 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.058 9.482 9.922 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.522 4.936 11.067 1.00 0.00 N ATOM 1428 CA GLN A 92 -6.237 3.661 11.149 1.00 0.00 C ATOM 1429 C GLN A 92 -7.639 3.752 10.511 1.00 0.00 C ATOM 1430 O GLN A 92 -8.529 2.950 10.802 1.00 0.00 O ATOM 1431 CB GLN A 92 -6.186 3.076 12.578 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.765 2.616 12.944 1.00 0.00 C ATOM 1433 CD GLN A 92 -4.347 1.419 12.096 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -5.003 0.380 12.110 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.282 1.554 11.328 1.00 0.00 N ATOM 0 H GLN A 92 -4.675 4.873 10.502 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.718 2.922 10.538 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.523 3.827 13.293 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.874 2.234 12.653 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.063 3.436 12.794 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.725 2.351 14.000 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.755 2.427 11.335 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.986 0.785 10.727 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.842 4.724 9.616 1.00 0.00 N ATOM 1445 CA GLN A 93 -9.098 4.937 8.909 1.00 0.00 C ATOM 1446 C GLN A 93 -9.395 3.768 7.956 1.00 0.00 C ATOM 1447 O GLN A 93 -8.482 3.307 7.260 1.00 0.00 O ATOM 1448 CB GLN A 93 -9.032 6.244 8.097 1.00 0.00 C ATOM 1449 CG GLN A 93 -7.855 6.318 7.102 1.00 0.00 C ATOM 1450 CD GLN A 93 -7.679 7.685 6.447 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -7.729 7.820 5.224 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.419 8.711 7.230 1.00 0.00 N ATOM 0 H GLN A 93 -7.119 5.396 9.361 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.895 5.002 9.650 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.965 6.363 7.546 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.961 7.084 8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.935 6.056 7.624 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.004 5.570 6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.381 8.584 8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.256 9.633 6.825 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.653 3.313 7.837 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.979 2.231 6.929 1.00 0.00 C ATOM 1463 C PRO A 94 -10.940 2.736 5.490 1.00 0.00 C ATOM 1464 O PRO A 94 -11.446 3.819 5.176 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.372 1.754 7.334 1.00 0.00 C ATOM 1466 CG PRO A 94 -13.012 3.004 7.933 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.833 3.737 8.579 1.00 0.00 C ATOM 0 HA PRO A 94 -10.267 1.408 6.985 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.936 1.385 6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.324 0.941 8.058 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.493 3.614 7.168 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.777 2.750 8.667 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.965 4.818 8.522 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.744 3.482 9.635 1.00 0.00 H new ATOM 1475 N LEU A 95 -10.366 1.922 4.603 1.00 0.00 N ATOM 1476 CA LEU A 95 -10.225 2.187 3.170 1.00 0.00 C ATOM 1477 C LEU A 95 -11.591 2.578 2.592 1.00 0.00 C ATOM 1478 O LEU A 95 -11.674 3.554 1.850 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.619 0.965 2.468 1.00 0.00 C ATOM 1480 CG LEU A 95 -8.083 0.885 2.535 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.675 -0.586 2.467 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -7.426 1.626 1.363 1.00 0.00 C ATOM 0 H LEU A 95 -9.970 1.022 4.875 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.543 3.020 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.037 0.062 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.924 0.975 1.422 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.753 1.351 3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.589 -0.665 2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.114 -1.125 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.031 -1.019 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.342 1.547 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.752 1.182 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.716 2.676 1.388 1.00 0.00 H new ATOM 1494 N THR A 96 -12.651 1.820 2.888 1.00 0.00 N ATOM 1495 CA THR A 96 -14.017 2.100 2.455 1.00 0.00 C ATOM 1496 C THR A 96 -14.941 1.478 3.499 1.00 0.00 C ATOM 1497 O THR A 96 -14.654 0.381 3.999 1.00 0.00 O ATOM 1498 CB THR A 96 -14.378 1.575 1.045 1.00 0.00 C ATOM 1499 OG1 THR A 96 -14.265 0.171 0.934 1.00 0.00 O ATOM 1500 CG2 THR A 96 -13.574 2.199 -0.095 1.00 0.00 C ATOM 0 H THR A 96 -12.577 0.973 3.451 1.00 0.00 H new ATOM 0 HA THR A 96 -14.129 3.181 2.375 1.00 0.00 H new ATOM 0 HB THR A 96 -15.419 1.880 0.937 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.506 -0.106 0.025 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.896 1.770 -1.044 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.739 3.276 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.514 1.996 0.054 1.00 0.00 H new ATOM 1508 N LYS A 97 -16.073 2.120 3.815 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.997 1.542 4.795 1.00 0.00 C ATOM 1510 C LYS A 97 -17.577 0.215 4.300 1.00 0.00 C ATOM 1511 O LYS A 97 -17.987 -0.606 5.120 1.00 0.00 O ATOM 1512 CB LYS A 97 -18.050 2.559 5.261 1.00 0.00 C ATOM 1513 CG LYS A 97 -19.045 3.094 4.222 1.00 0.00 C ATOM 1514 CD LYS A 97 -20.152 2.090 3.863 1.00 0.00 C ATOM 1515 CE LYS A 97 -21.282 2.837 3.158 1.00 0.00 C ATOM 1516 NZ LYS A 97 -22.446 1.985 2.842 1.00 0.00 N ATOM 0 H LYS A 97 -16.364 3.014 3.419 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.431 1.295 5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.623 2.101 6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.524 3.412 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -19.502 4.007 4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.503 3.365 3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.756 1.307 3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.526 1.602 4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -21.608 3.664 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -20.899 3.271 2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -23.174 2.555 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -22.149 1.209 2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -22.836 1.590 3.721 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.566 -0.039 2.984 1.00 0.00 N ATOM 1531 CA LYS A 98 -18.074 -1.267 2.376 1.00 0.00 C ATOM 1532 C LYS A 98 -17.312 -2.519 2.800 1.00 0.00 C ATOM 1533 O LYS A 98 -17.908 -3.598 2.740 1.00 0.00 O ATOM 1534 CB LYS A 98 -18.029 -1.154 0.838 1.00 0.00 C ATOM 1535 CG LYS A 98 -19.343 -0.658 0.223 1.00 0.00 C ATOM 1536 CD LYS A 98 -20.462 -1.707 0.316 1.00 0.00 C ATOM 1537 CE LYS A 98 -21.741 -1.196 -0.346 1.00 0.00 C ATOM 1538 NZ LYS A 98 -21.699 -1.248 -1.817 1.00 0.00 N ATOM 0 H LYS A 98 -17.194 0.621 2.301 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.099 -1.376 2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -17.225 -0.475 0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.785 -2.129 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -19.659 0.253 0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -19.177 -0.398 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -20.142 -2.631 -0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -20.658 -1.944 1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -22.586 -1.788 0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -21.918 -0.168 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -22.595 -0.888 -2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.913 -0.662 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -21.559 -2.231 -2.126 1.00 0.00 H new ATOM 1552 N SER A 99 -16.052 -2.405 3.227 1.00 0.00 N ATOM 1553 CA SER A 99 -15.254 -3.560 3.631 1.00 0.00 C ATOM 1554 C SER A 99 -14.590 -3.397 5.005 1.00 0.00 C ATOM 1555 O SER A 99 -14.105 -4.385 5.554 1.00 0.00 O ATOM 1556 CB SER A 99 -14.243 -3.831 2.513 1.00 0.00 C ATOM 1557 OG SER A 99 -13.345 -2.742 2.409 1.00 0.00 O ATOM 0 H SER A 99 -15.561 -1.514 3.301 1.00 0.00 H new ATOM 0 HA SER A 99 -15.908 -4.422 3.764 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.694 -4.749 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 99 -14.763 -3.978 1.566 1.00 0.00 H new ATOM 0 HG SER A 99 -12.698 -2.918 1.694 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.534 -2.173 5.552 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.955 -1.861 6.857 1.00 0.00 C ATOM 1565 C GLY A 100 -12.447 -2.090 6.994 1.00 0.00 C ATOM 1566 O GLY A 100 -11.900 -1.765 8.044 1.00 0.00 O ATOM 0 H GLY A 100 -14.904 -1.349 5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.166 -0.816 7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.464 -2.462 7.611 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.780 -2.574 5.945 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.357 -2.888 5.865 1.00 0.00 C ATOM 1572 C VAL A 101 -9.473 -1.706 6.272 1.00 0.00 C ATOM 1573 O VAL A 101 -9.677 -0.587 5.790 1.00 0.00 O ATOM 1574 CB VAL A 101 -10.048 -3.344 4.422 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.592 -3.765 4.222 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.916 -4.528 3.981 1.00 0.00 C ATOM 0 H VAL A 101 -12.258 -2.770 5.066 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.129 -3.686 6.572 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.266 -2.463 3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.441 -4.074 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.936 -2.925 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.359 -4.597 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.658 -4.808 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.741 -5.375 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.968 -4.244 4.025 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.460 -1.974 7.100 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.478 -1.018 7.611 1.00 0.00 C ATOM 1588 C VAL A 102 -6.079 -1.611 7.373 1.00 0.00 C ATOM 1589 O VAL A 102 -5.953 -2.814 7.133 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.744 -0.732 9.107 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.935 0.476 9.592 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.224 -0.442 9.394 1.00 0.00 C ATOM 0 H VAL A 102 -8.295 -2.918 7.451 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.552 -0.062 7.092 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.443 -1.636 9.637 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.143 0.653 10.647 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.871 0.278 9.460 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.215 1.357 9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.357 -0.248 10.458 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.541 0.431 8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.826 -1.303 9.104 1.00 0.00 H new ATOM 1602 N LEU A 103 -5.030 -0.782 7.375 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.636 -1.181 7.170 1.00 0.00 C ATOM 1604 C LEU A 103 -2.969 -1.244 8.526 1.00 0.00 C ATOM 1605 O LEU A 103 -2.922 -0.231 9.213 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.894 -0.211 6.240 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.153 -0.451 4.739 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.592 -0.124 4.318 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.219 0.404 3.883 1.00 0.00 C ATOM 0 H LEU A 103 -5.133 0.222 7.525 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.605 -2.156 6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.187 0.809 6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.824 -0.291 6.430 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.971 -1.514 4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.711 -0.313 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.286 -0.751 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.802 0.925 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.420 0.218 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.386 1.458 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.184 0.147 4.106 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.464 -2.420 8.897 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.804 -2.638 10.178 1.00 0.00 C ATOM 1623 C HIS A 104 -0.290 -2.768 10.017 1.00 0.00 C ATOM 1624 O HIS A 104 0.447 -2.307 10.894 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.390 -3.877 10.869 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.819 -3.692 11.326 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.221 -3.562 12.634 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -4.937 -3.587 10.542 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.549 -3.368 12.634 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -6.039 -3.406 11.382 1.00 0.00 N ATOM 0 H HIS A 104 -2.503 -3.253 8.310 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.987 -1.766 10.805 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.343 -4.723 10.183 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.771 -4.130 11.730 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -3.619 -3.605 13.456 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.962 -3.636 9.463 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.144 -3.204 13.520 1.00 0.00 H new ATOM 1638 N ARG A 105 0.197 -3.368 8.922 1.00 0.00 N ATOM 1639 CA ARG A 105 1.628 -3.542 8.668 1.00 0.00 C ATOM 1640 C ARG A 105 1.843 -3.905 7.201 1.00 0.00 C ATOM 1641 O ARG A 105 1.010 -4.607 6.625 1.00 0.00 O ATOM 1642 CB ARG A 105 2.158 -4.686 9.557 1.00 0.00 C ATOM 1643 CG ARG A 105 3.688 -4.789 9.515 1.00 0.00 C ATOM 1644 CD ARG A 105 4.178 -5.952 10.372 1.00 0.00 C ATOM 1645 NE ARG A 105 5.613 -6.189 10.153 1.00 0.00 N ATOM 1646 CZ ARG A 105 6.213 -7.360 9.920 1.00 0.00 C ATOM 1647 NH1 ARG A 105 5.529 -8.490 9.778 1.00 0.00 N ATOM 1648 NH2 ARG A 105 7.531 -7.413 9.827 1.00 0.00 N ATOM 0 H ARG A 105 -0.397 -3.748 8.185 1.00 0.00 H new ATOM 0 HA ARG A 105 2.158 -2.617 8.895 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.834 -4.525 10.585 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.723 -5.630 9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.019 -4.925 8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.129 -3.858 9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 105 3.996 -5.737 11.425 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.614 -6.853 10.129 1.00 0.00 H new ATOM 0 HE ARG A 105 6.218 -5.368 10.182 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.511 -8.482 9.846 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.022 -9.365 9.601 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.084 -6.563 9.933 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.994 -8.304 9.649 1.00 0.00 H new ATOM 1662 N ALA A 106 2.940 -3.464 6.593 1.00 0.00 N ATOM 1663 CA ALA A 106 3.270 -3.764 5.205 1.00 0.00 C ATOM 1664 C ALA A 106 4.133 -5.017 5.164 1.00 0.00 C ATOM 1665 O ALA A 106 4.904 -5.270 6.095 1.00 0.00 O ATOM 1666 CB ALA A 106 3.996 -2.580 4.572 1.00 0.00 C ATOM 0 H ALA A 106 3.635 -2.880 7.058 1.00 0.00 H new ATOM 0 HA ALA A 106 2.358 -3.941 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.238 -2.814 3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.354 -1.700 4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 106 4.915 -2.380 5.123 1.00 0.00 H new ATOM 1672 N VAL A 107 4.062 -5.769 4.074 1.00 0.00 N ATOM 1673 CA VAL A 107 4.820 -7.001 3.951 1.00 0.00 C ATOM 1674 C VAL A 107 6.219 -6.681 3.382 1.00 0.00 C ATOM 1675 O VAL A 107 6.308 -6.057 2.325 1.00 0.00 O ATOM 1676 CB VAL A 107 3.974 -8.020 3.153 1.00 0.00 C ATOM 1677 CG1 VAL A 107 2.550 -8.189 3.715 1.00 0.00 C ATOM 1678 CG2 VAL A 107 3.899 -7.722 1.658 1.00 0.00 C ATOM 0 H VAL A 107 3.486 -5.545 3.263 1.00 0.00 H new ATOM 0 HA VAL A 107 5.016 -7.478 4.912 1.00 0.00 H new ATOM 0 HB VAL A 107 4.512 -8.960 3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.005 -8.916 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.605 -8.539 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.031 -7.231 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.289 -8.480 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.451 -6.740 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.903 -7.733 1.234 1.00 0.00 H new ATOM 1688 N PRO A 108 7.331 -7.018 4.062 1.00 0.00 N ATOM 1689 CA PRO A 108 8.671 -6.741 3.550 1.00 0.00 C ATOM 1690 C PRO A 108 9.033 -7.668 2.374 1.00 0.00 C ATOM 1691 O PRO A 108 8.925 -8.899 2.480 1.00 0.00 O ATOM 1692 CB PRO A 108 9.602 -6.965 4.741 1.00 0.00 C ATOM 1693 CG PRO A 108 8.878 -8.014 5.590 1.00 0.00 C ATOM 1694 CD PRO A 108 7.398 -7.721 5.336 1.00 0.00 C ATOM 0 HA PRO A 108 8.750 -5.728 3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.582 -7.319 4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.764 -6.043 5.299 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.144 -9.027 5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.130 -7.919 6.646 1.00 0.00 H new ATOM 0 HD2 PRO A 108 6.820 -8.644 5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 108 6.979 -7.113 6.138 1.00 0.00 H new ATOM 1702 N SER A 109 9.539 -7.100 1.275 1.00 0.00 N ATOM 1703 CA SER A 109 9.934 -7.849 0.081 1.00 0.00 C ATOM 1704 C SER A 109 11.129 -8.771 0.355 1.00 0.00 C ATOM 1705 O SER A 109 11.117 -9.934 -0.053 1.00 0.00 O ATOM 1706 CB SER A 109 10.182 -6.883 -1.085 1.00 0.00 C ATOM 1707 OG SER A 109 11.212 -5.959 -0.795 1.00 0.00 O ATOM 0 H SER A 109 9.687 -6.094 1.190 1.00 0.00 H new ATOM 0 HA SER A 109 9.115 -8.509 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.445 -7.451 -1.977 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.263 -6.343 -1.310 1.00 0.00 H new ATOM 0 HG SER A 109 11.342 -5.362 -1.562 1.00 0.00 H new