USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 831 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 61 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.17) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 55 GLN : amide:sc= -0.235 X(o=0.58,f=0.27) USER MOD Set 2.2: A 57 TYR OH : rot -56:sc= 0.818 USER MOD Set 3.1: A 36 LYS NZ :NH3+ 172:sc= 1.14 (180deg=1.11) USER MOD Set 3.2: A 37 ASN : amide:sc= 0.286 X(o=1.4,f=1.1) USER MOD Set 4.1: A 34 HIS : no HE2:sc= 0.637 K(o=0.65,f=-1.9!) USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= 0.0148 USER MOD Set 5.1: A 4 GLN : amide:sc= -0.926 K(o=-2.6,f=-0.33) USER MOD Set 5.2: A 6 SER OG : rot 180:sc= 0 USER MOD Set 5.3: A 109 ASN : amide:sc= -1.67 X(o=-2.6,f=-2.8) USER MOD Single : A 2 HIS : no HD1:sc= -0.59 X(o=-0.59,f=-0.78) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 34:sc= -0.518 USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.781) USER MOD Single : A 52 GLN : amide:sc= 0.946 K(o=0.95,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -150:sc= -0.134 (180deg=-1.08) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0187 USER MOD Single : A 92 THR OG1 : rot 148:sc= 1.15 USER MOD Single : A 99 HIS : no HD1:sc= -0.919 K(o=-0.92,f=-1.8) USER MOD Single : A 103 THR OG1 : rot 1:sc= 1.1 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N HIS A 2 1.566 -20.156 1.462 1.00 0.00 N ATOM 9 CA HIS A 2 1.445 -18.706 1.633 1.00 0.00 C ATOM 10 C HIS A 2 1.703 -18.286 3.106 1.00 0.00 C ATOM 11 O HIS A 2 1.750 -19.120 4.019 1.00 0.00 O ATOM 12 CB HIS A 2 0.110 -18.198 1.024 1.00 0.00 C ATOM 13 CG HIS A 2 -0.073 -18.407 -0.466 1.00 0.00 C ATOM 14 ND1 HIS A 2 -0.105 -19.601 -1.158 1.00 0.00 N ATOM 15 CD2 HIS A 2 -0.391 -17.422 -1.362 1.00 0.00 C ATOM 16 CE1 HIS A 2 -0.414 -19.336 -2.437 1.00 0.00 C ATOM 17 NE2 HIS A 2 -0.591 -18.017 -2.610 1.00 0.00 N ATOM 0 HA HIS A 2 2.230 -18.202 1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.712 -18.692 1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.023 -17.132 1.233 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.473 -16.368 -1.142 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -0.507 -20.078 -3.216 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.826 -17.542 -3.482 1.00 0.00 H new ATOM 25 N VAL A 3 1.916 -16.989 3.346 1.00 0.00 N ATOM 26 CA VAL A 3 2.154 -16.365 4.656 1.00 0.00 C ATOM 27 C VAL A 3 0.900 -15.579 5.021 1.00 0.00 C ATOM 28 O VAL A 3 0.499 -14.731 4.229 1.00 0.00 O ATOM 29 CB VAL A 3 3.374 -15.398 4.640 1.00 0.00 C ATOM 30 CG1 VAL A 3 4.387 -15.813 5.711 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.108 -15.258 3.298 1.00 0.00 C ATOM 0 H VAL A 3 1.928 -16.305 2.589 1.00 0.00 H new ATOM 0 HA VAL A 3 2.375 -17.147 5.382 1.00 0.00 H new ATOM 0 HB VAL A 3 2.939 -14.419 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.237 -15.131 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.914 -15.777 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.732 -16.828 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.938 -14.560 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.491 -16.231 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.417 -14.884 2.543 1.00 0.00 H new ATOM 41 N GLN A 4 0.243 -15.856 6.148 1.00 0.00 N ATOM 42 CA GLN A 4 -0.856 -15.042 6.606 1.00 0.00 C ATOM 43 C GLN A 4 -0.286 -13.716 7.090 1.00 0.00 C ATOM 44 O GLN A 4 0.487 -13.703 8.048 1.00 0.00 O ATOM 45 CB GLN A 4 -1.619 -15.756 7.725 1.00 0.00 C ATOM 46 CG GLN A 4 -3.042 -15.201 7.797 1.00 0.00 C ATOM 47 CD GLN A 4 -3.512 -15.010 9.236 1.00 0.00 C ATOM 48 OE1 GLN A 4 -4.296 -15.797 9.756 1.00 0.00 O ATOM 49 NE2 GLN A 4 -3.044 -13.968 9.908 1.00 0.00 N ATOM 0 H GLN A 4 0.463 -16.645 6.755 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.563 -14.865 5.796 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.644 -16.829 7.537 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.111 -15.611 8.678 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.085 -14.247 7.272 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.722 -15.879 7.281 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.393 -13.323 9.460 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.335 -13.811 10.873 1.00 0.00 H new ATOM 58 N LEU A 5 -0.681 -12.609 6.466 1.00 0.00 N ATOM 59 CA LEU A 5 -0.305 -11.268 6.879 1.00 0.00 C ATOM 60 C LEU A 5 -1.547 -10.551 7.393 1.00 0.00 C ATOM 61 O LEU A 5 -2.636 -10.723 6.846 1.00 0.00 O ATOM 62 CB LEU A 5 0.387 -10.503 5.739 1.00 0.00 C ATOM 63 CG LEU A 5 1.669 -11.181 5.212 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.319 -10.290 4.152 1.00 0.00 C ATOM 65 CD2 LEU A 5 2.709 -11.476 6.297 1.00 0.00 C ATOM 0 H LEU A 5 -1.283 -12.624 5.643 1.00 0.00 H new ATOM 0 HA LEU A 5 0.426 -11.321 7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.316 -10.388 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.636 -9.501 6.087 1.00 0.00 H new ATOM 0 HG LEU A 5 1.353 -12.139 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.225 -10.769 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.623 -10.139 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.573 -9.326 4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.580 -11.952 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.011 -10.544 6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.277 -12.142 7.044 1.00 0.00 H new ATOM 77 N SER A 6 -1.392 -9.749 8.442 1.00 0.00 N ATOM 78 CA SER A 6 -2.489 -9.080 9.123 1.00 0.00 C ATOM 79 C SER A 6 -2.112 -7.607 9.244 1.00 0.00 C ATOM 80 O SER A 6 -0.996 -7.288 9.664 1.00 0.00 O ATOM 81 CB SER A 6 -2.766 -9.740 10.481 1.00 0.00 C ATOM 82 OG SER A 6 -2.121 -10.988 10.698 1.00 0.00 O ATOM 0 H SER A 6 -0.480 -9.543 8.849 1.00 0.00 H new ATOM 0 HA SER A 6 -3.419 -9.166 8.561 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.461 -9.051 11.269 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.842 -9.884 10.583 1.00 0.00 H new ATOM 0 HG SER A 6 -2.356 -11.328 11.587 1.00 0.00 H new ATOM 88 N LEU A 7 -2.993 -6.702 8.834 1.00 0.00 N ATOM 89 CA LEU A 7 -2.712 -5.278 8.711 1.00 0.00 C ATOM 90 C LEU A 7 -3.784 -4.495 9.463 1.00 0.00 C ATOM 91 O LEU A 7 -4.934 -4.943 9.481 1.00 0.00 O ATOM 92 CB LEU A 7 -2.743 -4.882 7.226 1.00 0.00 C ATOM 93 CG LEU A 7 -1.586 -5.463 6.393 1.00 0.00 C ATOM 94 CD1 LEU A 7 -1.924 -5.303 4.911 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.263 -4.753 6.696 1.00 0.00 C ATOM 0 H LEU A 7 -3.948 -6.946 8.571 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.730 -5.056 9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.688 -5.211 6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.720 -3.795 7.151 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.465 -6.515 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.113 -5.710 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.847 -5.839 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.053 -4.246 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.531 -5.189 6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.357 -3.693 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.020 -4.871 7.752 1.00 0.00 H new ATOM 107 N PRO A 8 -3.458 -3.319 10.020 1.00 0.00 N ATOM 108 CA PRO A 8 -4.463 -2.369 10.462 1.00 0.00 C ATOM 109 C PRO A 8 -5.132 -1.753 9.219 1.00 0.00 C ATOM 110 O PRO A 8 -4.542 -1.750 8.135 1.00 0.00 O ATOM 111 CB PRO A 8 -3.661 -1.349 11.273 1.00 0.00 C ATOM 112 CG PRO A 8 -2.321 -1.272 10.547 1.00 0.00 C ATOM 113 CD PRO A 8 -2.135 -2.702 10.044 1.00 0.00 C ATOM 0 HA PRO A 8 -5.269 -2.794 11.061 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.158 -0.379 11.298 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.537 -1.670 12.307 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.344 -0.553 9.728 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.515 -0.969 11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.689 -2.706 9.050 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.462 -3.257 10.698 1.00 0.00 H new ATOM 121 N VAL A 9 -6.328 -1.190 9.357 1.00 0.00 N ATOM 122 CA VAL A 9 -7.073 -0.526 8.292 1.00 0.00 C ATOM 123 C VAL A 9 -7.247 0.916 8.742 1.00 0.00 C ATOM 124 O VAL A 9 -7.785 1.144 9.826 1.00 0.00 O ATOM 125 CB VAL A 9 -8.425 -1.223 8.030 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.067 -0.702 6.737 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.273 -2.748 7.911 1.00 0.00 C ATOM 0 H VAL A 9 -6.824 -1.183 10.248 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.540 -0.572 7.342 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.060 -0.994 8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.019 -1.208 6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.237 0.371 6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.402 -0.899 5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.249 -3.198 7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.603 -2.983 7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.859 -3.146 8.838 1.00 0.00 H new ATOM 137 N LEU A 10 -6.739 1.865 7.959 1.00 0.00 N ATOM 138 CA LEU A 10 -6.683 3.287 8.283 1.00 0.00 C ATOM 139 C LEU A 10 -7.654 4.009 7.354 1.00 0.00 C ATOM 140 O LEU A 10 -7.821 3.593 6.204 1.00 0.00 O ATOM 141 CB LEU A 10 -5.248 3.803 8.063 1.00 0.00 C ATOM 142 CG LEU A 10 -4.172 3.149 8.955 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.769 3.403 8.394 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.229 3.674 10.393 1.00 0.00 C ATOM 0 H LEU A 10 -6.339 1.655 7.044 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.957 3.464 9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.978 3.644 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.235 4.879 8.235 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.380 2.079 8.961 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.028 2.932 9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.696 2.982 7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.583 4.476 8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.456 3.189 10.988 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.065 4.752 10.394 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.207 3.456 10.822 1.00 0.00 H new ATOM 156 N GLN A 11 -8.286 5.090 7.815 1.00 0.00 N ATOM 157 CA GLN A 11 -9.085 5.939 6.943 1.00 0.00 C ATOM 158 C GLN A 11 -8.171 6.642 5.960 1.00 0.00 C ATOM 159 O GLN A 11 -7.067 7.045 6.321 1.00 0.00 O ATOM 160 CB GLN A 11 -9.867 6.987 7.749 1.00 0.00 C ATOM 161 CG GLN A 11 -10.997 6.317 8.516 1.00 0.00 C ATOM 162 CD GLN A 11 -12.179 7.247 8.707 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.118 8.242 9.426 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.273 6.942 8.031 1.00 0.00 N ATOM 0 H GLN A 11 -8.257 5.394 8.788 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.802 5.311 6.414 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.199 7.497 8.442 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.271 7.746 7.079 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.320 5.424 7.980 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.631 5.990 9.489 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.293 6.109 7.442 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.097 7.539 8.098 1.00 0.00 H new ATOM 173 N VAL A 12 -8.649 6.880 4.740 1.00 0.00 N ATOM 174 CA VAL A 12 -7.845 7.566 3.745 1.00 0.00 C ATOM 175 C VAL A 12 -7.483 8.970 4.230 1.00 0.00 C ATOM 176 O VAL A 12 -6.416 9.456 3.862 1.00 0.00 O ATOM 177 CB VAL A 12 -8.536 7.529 2.370 1.00 0.00 C ATOM 178 CG1 VAL A 12 -9.895 8.234 2.324 1.00 0.00 C ATOM 179 CG2 VAL A 12 -7.645 8.132 1.284 1.00 0.00 C ATOM 0 H VAL A 12 -9.580 6.609 4.424 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.898 7.044 3.610 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.710 6.469 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.310 8.159 1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.574 7.761 3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.769 9.284 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.162 8.091 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.421 9.170 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.716 7.566 1.220 1.00 0.00 H new ATOM 189 N ARG A 13 -8.301 9.608 5.086 1.00 0.00 N ATOM 190 CA ARG A 13 -7.963 10.945 5.562 1.00 0.00 C ATOM 191 C ARG A 13 -6.712 10.894 6.443 1.00 0.00 C ATOM 192 O ARG A 13 -5.884 11.803 6.399 1.00 0.00 O ATOM 193 CB ARG A 13 -9.156 11.605 6.288 1.00 0.00 C ATOM 194 CG ARG A 13 -9.337 11.078 7.718 1.00 0.00 C ATOM 195 CD ARG A 13 -10.524 11.639 8.488 1.00 0.00 C ATOM 196 NE ARG A 13 -10.492 11.079 9.846 1.00 0.00 N ATOM 197 CZ ARG A 13 -11.363 11.309 10.830 1.00 0.00 C ATOM 198 NH1 ARG A 13 -12.294 12.246 10.692 1.00 0.00 N ATOM 199 NH2 ARG A 13 -11.296 10.594 11.944 1.00 0.00 N ATOM 0 H ARG A 13 -9.174 9.226 5.449 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.739 11.572 4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.007 12.684 6.318 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.068 11.425 5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.436 9.993 7.675 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.429 11.293 8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.475 12.727 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.458 11.378 7.991 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.721 10.446 10.059 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.344 12.792 9.832 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.959 12.420 11.446 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.582 9.873 12.045 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.959 10.765 12.700 1.00 0.00 H new ATOM 213 N ASP A 14 -6.592 9.836 7.248 1.00 0.00 N ATOM 214 CA ASP A 14 -5.652 9.759 8.362 1.00 0.00 C ATOM 215 C ASP A 14 -4.246 9.459 7.869 1.00 0.00 C ATOM 216 O ASP A 14 -3.250 9.688 8.551 1.00 0.00 O ATOM 217 CB ASP A 14 -6.057 8.636 9.323 1.00 0.00 C ATOM 218 CG ASP A 14 -6.961 9.112 10.472 1.00 0.00 C ATOM 219 OD1 ASP A 14 -7.816 10.007 10.285 1.00 0.00 O ATOM 220 OD2 ASP A 14 -6.878 8.536 11.581 1.00 0.00 O ATOM 0 H ASP A 14 -7.158 8.994 7.139 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.671 10.724 8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.574 7.857 8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.158 8.184 9.741 1.00 0.00 H new ATOM 225 N VAL A 15 -4.170 8.887 6.674 1.00 0.00 N ATOM 226 CA VAL A 15 -2.987 8.395 6.006 1.00 0.00 C ATOM 227 C VAL A 15 -2.209 9.574 5.456 1.00 0.00 C ATOM 228 O VAL A 15 -2.147 9.782 4.252 1.00 0.00 O ATOM 229 CB VAL A 15 -3.458 7.366 4.970 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.299 6.821 4.155 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.071 6.141 5.677 1.00 0.00 C ATOM 0 H VAL A 15 -5.006 8.747 6.107 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.286 7.883 6.665 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.176 7.882 4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.672 6.095 3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.808 7.639 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.583 6.337 4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.401 5.418 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.322 5.681 6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.923 6.457 6.279 1.00 0.00 H new ATOM 241 N LEU A 16 -1.763 10.445 6.345 1.00 0.00 N ATOM 242 CA LEU A 16 -1.194 11.755 6.106 1.00 0.00 C ATOM 243 C LEU A 16 -0.204 11.809 4.942 1.00 0.00 C ATOM 244 O LEU A 16 -0.151 12.838 4.267 1.00 0.00 O ATOM 245 CB LEU A 16 -0.557 12.186 7.429 1.00 0.00 C ATOM 246 CG LEU A 16 -1.560 12.871 8.371 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.003 12.912 9.797 1.00 0.00 C ATOM 248 CD2 LEU A 16 -1.894 14.296 7.918 1.00 0.00 C ATOM 0 H LEU A 16 -1.794 10.231 7.342 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.979 12.443 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.135 11.313 7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.269 12.868 7.226 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.478 12.283 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.723 13.400 10.455 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.823 11.895 10.147 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.067 13.470 9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.606 14.741 8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.983 14.894 7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.331 14.267 6.920 1.00 0.00 H new ATOM 260 N VAL A 17 0.531 10.731 4.664 1.00 0.00 N ATOM 261 CA VAL A 17 1.305 10.571 3.437 1.00 0.00 C ATOM 262 C VAL A 17 0.829 9.269 2.791 1.00 0.00 C ATOM 263 O VAL A 17 0.947 8.185 3.376 1.00 0.00 O ATOM 264 CB VAL A 17 2.837 10.691 3.674 1.00 0.00 C ATOM 265 CG1 VAL A 17 3.220 11.269 5.032 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.699 9.444 3.482 1.00 0.00 C ATOM 0 H VAL A 17 0.605 9.934 5.296 1.00 0.00 H new ATOM 0 HA VAL A 17 1.128 11.387 2.736 1.00 0.00 H new ATOM 0 HB VAL A 17 3.064 11.376 2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.306 11.318 5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.803 12.271 5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.825 10.632 5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.742 9.688 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.369 8.665 4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.601 9.089 2.456 1.00 0.00 H new ATOM 276 N ARG A 18 0.217 9.364 1.610 1.00 0.00 N ATOM 277 CA ARG A 18 -0.460 8.276 0.920 1.00 0.00 C ATOM 278 C ARG A 18 0.313 7.942 -0.362 1.00 0.00 C ATOM 279 O ARG A 18 -0.281 7.678 -1.413 1.00 0.00 O ATOM 280 CB ARG A 18 -1.967 8.595 0.730 1.00 0.00 C ATOM 281 CG ARG A 18 -2.518 9.961 1.186 1.00 0.00 C ATOM 282 CD ARG A 18 -3.968 9.863 1.656 1.00 0.00 C ATOM 283 NE ARG A 18 -4.585 11.180 1.848 1.00 0.00 N ATOM 284 CZ ARG A 18 -4.757 11.898 2.961 1.00 0.00 C ATOM 285 NH1 ARG A 18 -4.274 11.497 4.120 1.00 0.00 N ATOM 286 NH2 ARG A 18 -5.421 13.045 2.933 1.00 0.00 N ATOM 0 H ARG A 18 0.181 10.241 1.090 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.458 7.366 1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.192 8.490 -0.331 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.532 7.824 1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.900 10.350 1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.451 10.673 0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.546 9.297 0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.006 9.307 2.593 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.939 11.617 0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.756 10.621 4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.419 12.063 4.956 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.808 13.389 2.054 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.545 13.583 3.790 1.00 0.00 H new ATOM 300 N GLY A 19 1.642 7.973 -0.301 1.00 0.00 N ATOM 301 CA GLY A 19 2.490 7.714 -1.445 1.00 0.00 C ATOM 302 C GLY A 19 3.838 7.236 -0.939 1.00 0.00 C ATOM 303 O GLY A 19 4.747 8.043 -0.731 1.00 0.00 O ATOM 0 H GLY A 19 2.158 8.181 0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.038 6.961 -2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.607 8.618 -2.043 1.00 0.00 H new ATOM 307 N PHE A 20 3.954 5.915 -0.754 1.00 0.00 N ATOM 308 CA PHE A 20 5.062 5.225 -0.089 1.00 0.00 C ATOM 309 C PHE A 20 6.444 5.750 -0.500 1.00 0.00 C ATOM 310 O PHE A 20 7.329 5.847 0.352 1.00 0.00 O ATOM 311 CB PHE A 20 4.966 3.728 -0.401 1.00 0.00 C ATOM 312 CG PHE A 20 4.296 2.831 0.614 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.885 2.627 1.876 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.141 2.111 0.253 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.265 1.762 2.796 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.567 1.199 1.153 1.00 0.00 C ATOM 317 CZ PHE A 20 3.120 1.036 2.432 1.00 0.00 C ATOM 0 H PHE A 20 3.239 5.266 -1.082 1.00 0.00 H new ATOM 0 HA PHE A 20 4.968 5.414 0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.434 3.618 -1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.978 3.355 -0.559 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.805 3.130 2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.695 2.261 -0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.673 1.656 3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.701 0.624 0.861 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.666 0.353 3.135 1.00 0.00 H new ATOM 327 N GLY A 21 6.600 6.120 -1.772 1.00 0.00 N ATOM 328 CA GLY A 21 7.826 6.695 -2.324 1.00 0.00 C ATOM 329 C GLY A 21 7.611 7.580 -3.533 1.00 0.00 C ATOM 330 O GLY A 21 8.498 7.801 -4.355 1.00 0.00 O ATOM 0 H GLY A 21 5.857 6.025 -2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.322 7.276 -1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.502 5.885 -2.597 1.00 0.00 H new ATOM 334 N ASP A 22 6.396 8.100 -3.592 1.00 0.00 N ATOM 335 CA ASP A 22 5.853 9.143 -4.453 1.00 0.00 C ATOM 336 C ASP A 22 5.761 8.774 -5.951 1.00 0.00 C ATOM 337 O ASP A 22 4.950 9.342 -6.686 1.00 0.00 O ATOM 338 CB ASP A 22 6.547 10.496 -4.203 1.00 0.00 C ATOM 339 CG ASP A 22 5.555 11.644 -3.967 1.00 0.00 C ATOM 340 OD1 ASP A 22 4.774 11.967 -4.887 1.00 0.00 O ATOM 341 OD2 ASP A 22 5.575 12.239 -2.861 1.00 0.00 O ATOM 0 H ASP A 22 5.675 7.758 -2.957 1.00 0.00 H new ATOM 0 HA ASP A 22 4.809 9.248 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.204 10.407 -3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.178 10.738 -5.058 1.00 0.00 H new ATOM 346 N SER A 23 6.502 7.748 -6.379 1.00 0.00 N ATOM 347 CA SER A 23 6.520 7.109 -7.696 1.00 0.00 C ATOM 348 C SER A 23 6.028 5.656 -7.601 1.00 0.00 C ATOM 349 O SER A 23 5.998 5.098 -6.506 1.00 0.00 O ATOM 350 CB SER A 23 7.952 7.130 -8.221 1.00 0.00 C ATOM 351 OG SER A 23 8.437 8.420 -8.532 1.00 0.00 O ATOM 0 H SER A 23 7.169 7.301 -5.750 1.00 0.00 H new ATOM 0 HA SER A 23 5.857 7.650 -8.371 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.607 6.678 -7.476 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.009 6.508 -9.114 1.00 0.00 H new ATOM 0 HG SER A 23 9.358 8.353 -8.860 1.00 0.00 H new ATOM 357 N VAL A 24 5.646 5.024 -8.718 1.00 0.00 N ATOM 358 CA VAL A 24 5.080 3.669 -8.726 1.00 0.00 C ATOM 359 C VAL A 24 6.099 2.666 -8.246 1.00 0.00 C ATOM 360 O VAL A 24 5.812 1.900 -7.325 1.00 0.00 O ATOM 361 CB VAL A 24 4.554 3.241 -10.112 1.00 0.00 C ATOM 362 CG1 VAL A 24 3.810 1.902 -10.015 1.00 0.00 C ATOM 363 CG2 VAL A 24 3.560 4.256 -10.649 1.00 0.00 C ATOM 0 H VAL A 24 5.721 5.440 -9.646 1.00 0.00 H new ATOM 0 HA VAL A 24 4.228 3.692 -8.046 1.00 0.00 H new ATOM 0 HB VAL A 24 5.419 3.162 -10.771 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.446 1.616 -11.002 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.489 1.135 -9.642 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.966 2.003 -9.332 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.203 3.933 -11.627 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.717 4.337 -9.963 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.046 5.227 -10.743 1.00 0.00 H new ATOM 373 N GLU A 25 7.248 2.625 -8.915 1.00 0.00 N ATOM 374 CA GLU A 25 8.221 1.585 -8.660 1.00 0.00 C ATOM 375 C GLU A 25 8.716 1.703 -7.223 1.00 0.00 C ATOM 376 O GLU A 25 8.838 0.690 -6.537 1.00 0.00 O ATOM 377 CB GLU A 25 9.373 1.695 -9.659 1.00 0.00 C ATOM 378 CG GLU A 25 8.955 1.261 -11.072 1.00 0.00 C ATOM 379 CD GLU A 25 10.100 0.523 -11.756 1.00 0.00 C ATOM 380 OE1 GLU A 25 11.070 1.174 -12.207 1.00 0.00 O ATOM 381 OE2 GLU A 25 10.049 -0.731 -11.791 1.00 0.00 O ATOM 0 H GLU A 25 7.520 3.298 -9.631 1.00 0.00 H new ATOM 0 HA GLU A 25 7.763 0.604 -8.788 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.731 2.724 -9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.205 1.077 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.078 0.616 -11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.673 2.134 -11.660 1.00 0.00 H new ATOM 388 N GLU A 26 8.897 2.945 -6.763 1.00 0.00 N ATOM 389 CA GLU A 26 9.223 3.265 -5.390 1.00 0.00 C ATOM 390 C GLU A 26 8.167 2.715 -4.468 1.00 0.00 C ATOM 391 O GLU A 26 8.493 1.972 -3.555 1.00 0.00 O ATOM 392 CB GLU A 26 9.297 4.778 -5.164 1.00 0.00 C ATOM 393 CG GLU A 26 10.452 5.450 -5.898 1.00 0.00 C ATOM 394 CD GLU A 26 11.769 4.697 -5.685 1.00 0.00 C ATOM 395 OE1 GLU A 26 12.480 4.975 -4.689 1.00 0.00 O ATOM 396 OE2 GLU A 26 12.110 3.821 -6.513 1.00 0.00 O ATOM 0 H GLU A 26 8.816 3.769 -7.359 1.00 0.00 H new ATOM 0 HA GLU A 26 10.196 2.820 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.360 5.231 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.394 4.973 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.228 5.498 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.558 6.477 -5.548 1.00 0.00 H new ATOM 403 N ALA A 27 6.909 3.094 -4.675 1.00 0.00 N ATOM 404 CA ALA A 27 5.854 2.730 -3.763 1.00 0.00 C ATOM 405 C ALA A 27 5.748 1.212 -3.663 1.00 0.00 C ATOM 406 O ALA A 27 5.631 0.719 -2.547 1.00 0.00 O ATOM 407 CB ALA A 27 4.551 3.399 -4.197 1.00 0.00 C ATOM 0 H ALA A 27 6.605 3.654 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 27 6.079 3.090 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.753 3.124 -3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.678 4.482 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.290 3.070 -5.203 1.00 0.00 H new ATOM 413 N LEU A 28 5.879 0.470 -4.770 1.00 0.00 N ATOM 414 CA LEU A 28 5.978 -0.993 -4.742 1.00 0.00 C ATOM 415 C LEU A 28 7.158 -1.474 -3.865 1.00 0.00 C ATOM 416 O LEU A 28 6.998 -2.360 -3.018 1.00 0.00 O ATOM 417 CB LEU A 28 6.092 -1.523 -6.189 1.00 0.00 C ATOM 418 CG LEU A 28 5.209 -2.753 -6.458 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.319 -3.170 -7.928 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.554 -3.950 -5.568 1.00 0.00 C ATOM 0 H LEU A 28 5.919 0.867 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 28 5.074 -1.397 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.817 -0.728 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.132 -1.779 -6.394 1.00 0.00 H new ATOM 0 HG LEU A 28 4.188 -2.455 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.690 -4.042 -8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.991 -2.349 -8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.355 -3.417 -8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.895 -4.784 -5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.589 -4.245 -5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.424 -3.675 -4.521 1.00 0.00 H new ATOM 432 N SER A 29 8.347 -0.908 -4.078 1.00 0.00 N ATOM 433 CA SER A 29 9.596 -1.218 -3.386 1.00 0.00 C ATOM 434 C SER A 29 9.454 -0.971 -1.883 1.00 0.00 C ATOM 435 O SER A 29 9.658 -1.882 -1.075 1.00 0.00 O ATOM 436 CB SER A 29 10.677 -0.300 -3.993 1.00 0.00 C ATOM 437 OG SER A 29 12.005 -0.765 -3.894 1.00 0.00 O ATOM 0 H SER A 29 8.469 -0.178 -4.780 1.00 0.00 H new ATOM 0 HA SER A 29 9.863 -2.267 -3.511 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.444 -0.144 -5.046 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.616 0.673 -3.506 1.00 0.00 H new ATOM 0 HG SER A 29 12.611 -0.115 -4.308 1.00 0.00 H new ATOM 443 N GLU A 30 9.101 0.245 -1.484 1.00 0.00 N ATOM 444 CA GLU A 30 8.915 0.631 -0.106 1.00 0.00 C ATOM 445 C GLU A 30 7.812 -0.192 0.525 1.00 0.00 C ATOM 446 O GLU A 30 7.955 -0.596 1.672 1.00 0.00 O ATOM 447 CB GLU A 30 8.490 2.093 -0.050 1.00 0.00 C ATOM 448 CG GLU A 30 9.490 3.123 -0.559 1.00 0.00 C ATOM 449 CD GLU A 30 10.956 2.805 -0.240 1.00 0.00 C ATOM 450 OE1 GLU A 30 11.261 2.443 0.923 1.00 0.00 O ATOM 451 OE2 GLU A 30 11.810 2.950 -1.143 1.00 0.00 O ATOM 0 H GLU A 30 8.933 1.009 -2.139 1.00 0.00 H new ATOM 0 HA GLU A 30 9.852 0.473 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.570 2.201 -0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.250 2.337 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.379 3.214 -1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.241 4.094 -0.130 1.00 0.00 H new ATOM 458 N ALA A 31 6.724 -0.453 -0.200 1.00 0.00 N ATOM 459 CA ALA A 31 5.606 -1.210 0.310 1.00 0.00 C ATOM 460 C ALA A 31 6.060 -2.595 0.751 1.00 0.00 C ATOM 461 O ALA A 31 5.724 -3.002 1.866 1.00 0.00 O ATOM 462 CB ALA A 31 4.501 -1.298 -0.738 1.00 0.00 C ATOM 0 H ALA A 31 6.604 -0.138 -1.163 1.00 0.00 H new ATOM 0 HA ALA A 31 5.201 -0.696 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.665 -1.872 -0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.162 -0.294 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.885 -1.791 -1.631 1.00 0.00 H new ATOM 468 N ARG A 32 6.836 -3.306 -0.074 1.00 0.00 N ATOM 469 CA ARG A 32 7.313 -4.648 0.272 1.00 0.00 C ATOM 470 C ARG A 32 8.198 -4.589 1.511 1.00 0.00 C ATOM 471 O ARG A 32 8.177 -5.524 2.318 1.00 0.00 O ATOM 472 CB ARG A 32 7.999 -5.286 -0.958 1.00 0.00 C ATOM 473 CG ARG A 32 9.529 -5.189 -1.046 1.00 0.00 C ATOM 474 CD ARG A 32 10.013 -5.495 -2.470 1.00 0.00 C ATOM 475 NE ARG A 32 11.441 -5.860 -2.492 1.00 0.00 N ATOM 476 CZ ARG A 32 11.992 -6.993 -2.035 1.00 0.00 C ATOM 477 NH1 ARG A 32 11.241 -8.048 -1.724 1.00 0.00 N ATOM 478 NH2 ARG A 32 13.306 -7.079 -1.885 1.00 0.00 N ATOM 0 H ARG A 32 7.147 -2.974 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 32 6.477 -5.296 0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.727 -6.341 -0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.581 -4.825 -1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.852 -4.190 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.983 -5.889 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.422 -6.310 -2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.850 -4.624 -3.105 1.00 0.00 H new ATOM 0 HE ARG A 32 12.079 -5.176 -2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.228 -8.002 -1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.679 -8.902 -1.378 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.899 -6.282 -2.117 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.724 -7.942 -1.537 1.00 0.00 H new ATOM 492 N GLU A 33 8.912 -3.482 1.693 1.00 0.00 N ATOM 493 CA GLU A 33 9.717 -3.254 2.868 1.00 0.00 C ATOM 494 C GLU A 33 8.837 -2.992 4.087 1.00 0.00 C ATOM 495 O GLU A 33 9.048 -3.577 5.145 1.00 0.00 O ATOM 496 CB GLU A 33 10.665 -2.064 2.616 1.00 0.00 C ATOM 497 CG GLU A 33 12.111 -2.501 2.422 1.00 0.00 C ATOM 498 CD GLU A 33 12.675 -3.197 3.660 1.00 0.00 C ATOM 499 OE1 GLU A 33 12.891 -2.525 4.698 1.00 0.00 O ATOM 500 OE2 GLU A 33 12.827 -4.439 3.619 1.00 0.00 O ATOM 0 H GLU A 33 8.942 -2.718 1.018 1.00 0.00 H new ATOM 0 HA GLU A 33 10.308 -4.147 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.332 -1.519 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.607 -1.373 3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.173 -3.176 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.723 -1.631 2.186 1.00 0.00 H new ATOM 507 N HIS A 34 7.859 -2.098 3.979 1.00 0.00 N ATOM 508 CA HIS A 34 7.031 -1.660 5.094 1.00 0.00 C ATOM 509 C HIS A 34 6.159 -2.813 5.591 1.00 0.00 C ATOM 510 O HIS A 34 5.948 -2.945 6.792 1.00 0.00 O ATOM 511 CB HIS A 34 6.200 -0.441 4.684 1.00 0.00 C ATOM 512 CG HIS A 34 6.995 0.848 4.678 1.00 0.00 C ATOM 513 ND1 HIS A 34 8.052 1.164 3.854 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.753 1.946 5.460 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.454 2.413 4.152 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.689 2.930 5.130 1.00 0.00 N ATOM 0 H HIS A 34 7.616 -1.650 3.096 1.00 0.00 H new ATOM 0 HA HIS A 34 7.669 -1.357 5.924 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.786 -0.609 3.690 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.357 -0.337 5.367 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.459 0.557 3.142 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.974 2.036 6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.274 2.927 3.674 1.00 0.00 H new ATOM 524 N LEU A 35 5.730 -3.701 4.690 1.00 0.00 N ATOM 525 CA LEU A 35 5.101 -4.969 5.040 1.00 0.00 C ATOM 526 C LEU A 35 5.979 -5.738 6.023 1.00 0.00 C ATOM 527 O LEU A 35 5.533 -6.086 7.115 1.00 0.00 O ATOM 528 CB LEU A 35 4.853 -5.799 3.764 1.00 0.00 C ATOM 529 CG LEU A 35 3.623 -5.400 2.936 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.470 -6.368 1.765 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.331 -5.364 3.750 1.00 0.00 C ATOM 0 H LEU A 35 5.813 -3.553 3.684 1.00 0.00 H new ATOM 0 HA LEU A 35 4.142 -4.773 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.735 -5.725 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.752 -6.846 4.048 1.00 0.00 H new ATOM 0 HG LEU A 35 3.792 -4.384 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.598 -6.089 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.361 -6.326 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.342 -7.381 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.502 -5.075 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.137 -6.351 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.430 -4.640 4.559 1.00 0.00 H new ATOM 543 N LYS A 36 7.226 -6.011 5.642 1.00 0.00 N ATOM 544 CA LYS A 36 8.202 -6.732 6.426 1.00 0.00 C ATOM 545 C LYS A 36 8.476 -6.029 7.752 1.00 0.00 C ATOM 546 O LYS A 36 8.498 -6.689 8.786 1.00 0.00 O ATOM 547 CB LYS A 36 9.423 -6.877 5.515 1.00 0.00 C ATOM 548 CG LYS A 36 10.651 -7.486 6.183 1.00 0.00 C ATOM 549 CD LYS A 36 11.548 -6.557 7.027 1.00 0.00 C ATOM 550 CE LYS A 36 11.741 -5.222 6.303 1.00 0.00 C ATOM 551 NZ LYS A 36 12.948 -4.481 6.698 1.00 0.00 N ATOM 0 H LYS A 36 7.590 -5.718 4.735 1.00 0.00 H new ATOM 0 HA LYS A 36 7.857 -7.720 6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.149 -7.494 4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.688 -5.893 5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.314 -8.299 6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.270 -7.931 5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.095 -6.389 8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.515 -7.030 7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.780 -5.408 5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.869 -4.595 6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.074 -3.662 6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.848 -4.152 7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.777 -5.104 6.625 1.00 0.00 H new ATOM 565 N ASN A 37 8.676 -4.712 7.726 1.00 0.00 N ATOM 566 CA ASN A 37 8.935 -3.899 8.921 1.00 0.00 C ATOM 567 C ASN A 37 7.726 -3.866 9.869 1.00 0.00 C ATOM 568 O ASN A 37 7.888 -3.491 11.033 1.00 0.00 O ATOM 569 CB ASN A 37 9.267 -2.446 8.539 1.00 0.00 C ATOM 570 CG ASN A 37 10.671 -2.214 8.004 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.641 -2.128 8.749 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.819 -2.080 6.702 1.00 0.00 N ATOM 0 H ASN A 37 8.663 -4.169 6.863 1.00 0.00 H new ATOM 0 HA ASN A 37 9.781 -4.366 9.425 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.551 -2.114 7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.123 -1.816 9.417 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.744 -1.904 6.309 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.009 -2.152 6.087 1.00 0.00 H new ATOM 579 N GLY A 38 6.524 -4.202 9.387 1.00 0.00 N ATOM 580 CA GLY A 38 5.256 -4.070 10.097 1.00 0.00 C ATOM 581 C GLY A 38 4.633 -2.677 9.951 1.00 0.00 C ATOM 582 O GLY A 38 3.519 -2.448 10.419 1.00 0.00 O ATOM 0 H GLY A 38 6.408 -4.590 8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.556 -4.817 9.722 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.413 -4.283 11.154 1.00 0.00 H new ATOM 586 N THR A 39 5.295 -1.748 9.266 1.00 0.00 N ATOM 587 CA THR A 39 4.946 -0.334 9.184 1.00 0.00 C ATOM 588 C THR A 39 3.999 -0.073 8.006 1.00 0.00 C ATOM 589 O THR A 39 4.109 0.936 7.308 1.00 0.00 O ATOM 590 CB THR A 39 6.264 0.467 9.112 1.00 0.00 C ATOM 591 OG1 THR A 39 7.108 -0.012 8.082 1.00 0.00 O ATOM 592 CG2 THR A 39 7.057 0.353 10.420 1.00 0.00 C ATOM 0 H THR A 39 6.131 -1.973 8.727 1.00 0.00 H new ATOM 0 HA THR A 39 4.394 -0.008 10.065 1.00 0.00 H new ATOM 0 HB THR A 39 5.976 1.501 8.922 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.933 0.517 8.062 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.979 0.928 10.337 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.459 0.743 11.243 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.297 -0.693 10.610 1.00 0.00 H new ATOM 600 N CYS A 40 3.038 -0.968 7.769 1.00 0.00 N ATOM 601 CA CYS A 40 2.064 -0.868 6.693 1.00 0.00 C ATOM 602 C CYS A 40 0.654 -1.008 7.269 1.00 0.00 C ATOM 603 O CYS A 40 0.461 -1.702 8.272 1.00 0.00 O ATOM 604 CB CYS A 40 2.403 -1.921 5.634 1.00 0.00 C ATOM 605 SG CYS A 40 1.124 -1.976 4.354 1.00 0.00 S ATOM 0 H CYS A 40 2.917 -1.805 8.340 1.00 0.00 H new ATOM 0 HA CYS A 40 2.100 0.106 6.205 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.368 -1.691 5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.496 -2.900 6.104 1.00 0.00 H new ATOM 0 HG CYS A 40 0.652 -0.780 4.161 1.00 0.00 H new ATOM 611 N GLY A 41 -0.312 -0.355 6.626 1.00 0.00 N ATOM 612 CA GLY A 41 -1.736 -0.464 6.851 1.00 0.00 C ATOM 613 C GLY A 41 -2.490 -0.528 5.520 1.00 0.00 C ATOM 614 O GLY A 41 -1.918 -0.321 4.447 1.00 0.00 O ATOM 0 H GLY A 41 -0.095 0.309 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.949 -1.357 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.084 0.390 7.431 1.00 0.00 H new ATOM 618 N LEU A 42 -3.778 -0.851 5.592 1.00 0.00 N ATOM 619 CA LEU A 42 -4.683 -1.040 4.462 1.00 0.00 C ATOM 620 C LEU A 42 -5.583 0.188 4.328 1.00 0.00 C ATOM 621 O LEU A 42 -5.942 0.805 5.332 1.00 0.00 O ATOM 622 CB LEU A 42 -5.525 -2.302 4.740 1.00 0.00 C ATOM 623 CG LEU A 42 -6.500 -2.714 3.616 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.773 -3.401 2.453 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.549 -3.680 4.167 1.00 0.00 C ATOM 0 H LEU A 42 -4.244 -0.996 6.488 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.130 -1.163 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.848 -3.134 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.098 -2.141 5.653 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.970 -1.803 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.495 -3.675 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.035 -2.719 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.272 -4.298 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.234 -3.967 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.055 -4.569 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.107 -3.193 4.967 1.00 0.00 H new ATOM 637 N VAL A 43 -6.006 0.484 3.102 1.00 0.00 N ATOM 638 CA VAL A 43 -7.024 1.452 2.747 1.00 0.00 C ATOM 639 C VAL A 43 -8.077 0.749 1.905 1.00 0.00 C ATOM 640 O VAL A 43 -7.767 0.068 0.925 1.00 0.00 O ATOM 641 CB VAL A 43 -6.379 2.682 2.074 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.370 3.527 1.262 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.739 3.593 3.127 1.00 0.00 C ATOM 0 H VAL A 43 -5.617 0.020 2.281 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.530 1.846 3.628 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.633 2.280 1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.847 4.374 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.808 2.916 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.160 3.892 1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.289 4.456 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.502 3.932 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.970 3.041 3.667 1.00 0.00 H new ATOM 653 N GLU A 44 -9.333 0.892 2.315 1.00 0.00 N ATOM 654 CA GLU A 44 -10.473 0.347 1.603 1.00 0.00 C ATOM 655 C GLU A 44 -10.759 1.241 0.400 1.00 0.00 C ATOM 656 O GLU A 44 -10.798 2.469 0.528 1.00 0.00 O ATOM 657 CB GLU A 44 -11.696 0.279 2.518 1.00 0.00 C ATOM 658 CG GLU A 44 -11.489 -0.690 3.687 1.00 0.00 C ATOM 659 CD GLU A 44 -12.765 -0.828 4.516 1.00 0.00 C ATOM 660 OE1 GLU A 44 -13.618 -1.669 4.154 1.00 0.00 O ATOM 661 OE2 GLU A 44 -12.883 -0.152 5.565 1.00 0.00 O ATOM 0 H GLU A 44 -9.586 1.398 3.164 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.250 -0.667 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.913 1.274 2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.565 -0.033 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.191 -1.667 3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.676 -0.334 4.320 1.00 0.00 H new ATOM 668 N LEU A 45 -10.942 0.626 -0.767 1.00 0.00 N ATOM 669 CA LEU A 45 -11.278 1.321 -2.004 1.00 0.00 C ATOM 670 C LEU A 45 -12.712 1.842 -1.956 1.00 0.00 C ATOM 671 O LEU A 45 -13.653 1.073 -1.737 1.00 0.00 O ATOM 672 CB LEU A 45 -11.036 0.398 -3.214 1.00 0.00 C ATOM 673 CG LEU A 45 -9.587 0.535 -3.718 1.00 0.00 C ATOM 674 CD1 LEU A 45 -9.189 -0.671 -4.580 1.00 0.00 C ATOM 675 CD2 LEU A 45 -9.427 1.827 -4.532 1.00 0.00 C ATOM 0 H LEU A 45 -10.859 -0.384 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.627 2.188 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.233 -0.637 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.731 0.650 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.931 0.573 -2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.162 -0.550 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.269 -1.583 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.854 -0.738 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.398 1.911 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.101 1.803 -5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.668 2.685 -3.904 1.00 0.00 H new ATOM 687 N GLU A 46 -12.874 3.142 -2.209 1.00 0.00 N ATOM 688 CA GLU A 46 -14.141 3.853 -2.325 1.00 0.00 C ATOM 689 C GLU A 46 -14.005 4.874 -3.470 1.00 0.00 C ATOM 690 O GLU A 46 -12.885 5.194 -3.886 1.00 0.00 O ATOM 691 CB GLU A 46 -14.481 4.615 -1.040 1.00 0.00 C ATOM 692 CG GLU A 46 -14.384 3.843 0.281 1.00 0.00 C ATOM 693 CD GLU A 46 -15.459 2.785 0.531 1.00 0.00 C ATOM 694 OE1 GLU A 46 -16.471 2.711 -0.208 1.00 0.00 O ATOM 695 OE2 GLU A 46 -15.331 2.086 1.560 1.00 0.00 O ATOM 0 H GLU A 46 -12.074 3.760 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.933 3.129 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.820 5.479 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.497 4.998 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.410 3.356 0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.415 4.562 1.100 1.00 0.00 H new ATOM 702 N LYS A 47 -15.119 5.462 -3.921 1.00 0.00 N ATOM 703 CA LYS A 47 -15.133 6.510 -4.947 1.00 0.00 C ATOM 704 C LYS A 47 -14.233 7.692 -4.582 1.00 0.00 C ATOM 705 O LYS A 47 -13.490 8.184 -5.432 1.00 0.00 O ATOM 706 CB LYS A 47 -16.579 6.965 -5.194 1.00 0.00 C ATOM 707 CG LYS A 47 -16.665 7.850 -6.447 1.00 0.00 C ATOM 708 CD LYS A 47 -18.099 8.180 -6.883 1.00 0.00 C ATOM 709 CE LYS A 47 -18.671 9.397 -6.154 1.00 0.00 C ATOM 710 NZ LYS A 47 -19.099 9.121 -4.767 1.00 0.00 N ATOM 0 H LYS A 47 -16.049 5.220 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.726 6.091 -5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.224 6.094 -5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.945 7.516 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.130 8.781 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.153 7.349 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.115 8.364 -7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.739 7.317 -6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.919 10.186 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.523 9.778 -6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.828 9.807 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.489 8.159 -4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.282 9.202 -4.129 1.00 0.00 H new ATOM 724 N GLY A 48 -14.297 8.165 -3.342 1.00 0.00 N ATOM 725 CA GLY A 48 -13.577 9.352 -2.914 1.00 0.00 C ATOM 726 C GLY A 48 -12.162 9.041 -2.444 1.00 0.00 C ATOM 727 O GLY A 48 -11.468 9.957 -2.019 1.00 0.00 O ATOM 0 H GLY A 48 -14.853 7.732 -2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.534 10.063 -3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.127 9.834 -2.106 1.00 0.00 H new ATOM 731 N VAL A 49 -11.698 7.790 -2.486 1.00 0.00 N ATOM 732 CA VAL A 49 -10.390 7.411 -1.958 1.00 0.00 C ATOM 733 C VAL A 49 -9.289 7.729 -2.950 1.00 0.00 C ATOM 734 O VAL A 49 -8.400 8.498 -2.605 1.00 0.00 O ATOM 735 CB VAL A 49 -10.444 5.926 -1.558 1.00 0.00 C ATOM 736 CG1 VAL A 49 -9.112 5.185 -1.409 1.00 0.00 C ATOM 737 CG2 VAL A 49 -11.178 5.800 -0.222 1.00 0.00 C ATOM 0 H VAL A 49 -12.221 7.012 -2.888 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.150 7.994 -1.069 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.948 5.453 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.301 4.150 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.575 5.208 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.511 5.669 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.222 4.751 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.645 6.368 0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.190 6.191 -0.325 1.00 0.00 H new ATOM 747 N LEU A 50 -9.347 7.200 -4.173 1.00 0.00 N ATOM 748 CA LEU A 50 -8.344 7.471 -5.203 1.00 0.00 C ATOM 749 C LEU A 50 -7.969 8.966 -5.277 1.00 0.00 C ATOM 750 O LEU A 50 -6.773 9.260 -5.209 1.00 0.00 O ATOM 751 CB LEU A 50 -8.854 6.987 -6.569 1.00 0.00 C ATOM 752 CG LEU A 50 -8.663 5.502 -6.947 1.00 0.00 C ATOM 753 CD1 LEU A 50 -8.403 5.372 -8.449 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.549 4.751 -6.223 1.00 0.00 C ATOM 0 H LEU A 50 -10.091 6.572 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.441 6.925 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.920 7.207 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.367 7.589 -7.336 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.598 5.039 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.270 4.321 -8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.252 5.776 -9.001 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.502 5.927 -8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.517 3.720 -6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.593 5.234 -6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.741 4.762 -5.150 1.00 0.00 H new ATOM 766 N PRO A 51 -8.926 9.915 -5.358 1.00 0.00 N ATOM 767 CA PRO A 51 -8.592 11.329 -5.471 1.00 0.00 C ATOM 768 C PRO A 51 -8.134 11.973 -4.146 1.00 0.00 C ATOM 769 O PRO A 51 -7.710 13.132 -4.173 1.00 0.00 O ATOM 770 CB PRO A 51 -9.867 11.980 -6.008 1.00 0.00 C ATOM 771 CG PRO A 51 -10.996 11.132 -5.438 1.00 0.00 C ATOM 772 CD PRO A 51 -10.378 9.739 -5.390 1.00 0.00 C ATOM 0 HA PRO A 51 -7.733 11.471 -6.127 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.949 13.018 -5.686 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.883 11.982 -7.098 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.300 11.474 -4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.883 11.160 -6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.720 9.196 -4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.676 9.155 -6.260 1.00 0.00 H new ATOM 780 N GLN A 52 -8.224 11.276 -3.003 1.00 0.00 N ATOM 781 CA GLN A 52 -7.629 11.670 -1.725 1.00 0.00 C ATOM 782 C GLN A 52 -6.214 11.111 -1.555 1.00 0.00 C ATOM 783 O GLN A 52 -5.466 11.646 -0.740 1.00 0.00 O ATOM 784 CB GLN A 52 -8.482 11.171 -0.538 1.00 0.00 C ATOM 785 CG GLN A 52 -9.754 11.989 -0.327 1.00 0.00 C ATOM 786 CD GLN A 52 -10.544 11.535 0.904 1.00 0.00 C ATOM 787 OE1 GLN A 52 -10.313 12.014 2.012 1.00 0.00 O ATOM 788 NE2 GLN A 52 -11.485 10.622 0.738 1.00 0.00 N ATOM 0 H GLN A 52 -8.731 10.393 -2.945 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.590 12.759 -1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.752 10.128 -0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.882 11.203 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.492 13.041 -0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.386 11.907 -1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.663 10.236 -0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.033 10.304 1.537 1.00 0.00 H new ATOM 797 N LEU A 53 -5.826 10.046 -2.264 1.00 0.00 N ATOM 798 CA LEU A 53 -4.454 9.541 -2.212 1.00 0.00 C ATOM 799 C LEU A 53 -3.570 10.406 -3.102 1.00 0.00 C ATOM 800 O LEU A 53 -4.041 11.342 -3.754 1.00 0.00 O ATOM 801 CB LEU A 53 -4.400 8.046 -2.593 1.00 0.00 C ATOM 802 CG LEU A 53 -4.668 7.163 -1.379 1.00 0.00 C ATOM 803 CD1 LEU A 53 -6.081 6.626 -1.328 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.659 6.050 -1.174 1.00 0.00 C ATOM 0 H LEU A 53 -6.444 9.518 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.074 9.606 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.137 7.838 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.422 7.809 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.543 7.846 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.203 6.006 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.785 7.457 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.275 6.027 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.928 5.474 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.656 5.396 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.666 6.479 -1.040 1.00 0.00 H new ATOM 816 N GLU A 54 -2.273 10.105 -3.089 1.00 0.00 N ATOM 817 CA GLU A 54 -1.291 10.832 -3.869 1.00 0.00 C ATOM 818 C GLU A 54 -1.405 10.345 -5.295 1.00 0.00 C ATOM 819 O GLU A 54 -2.201 10.911 -6.048 1.00 0.00 O ATOM 820 CB GLU A 54 0.091 10.769 -3.200 1.00 0.00 C ATOM 821 CG GLU A 54 0.077 11.205 -1.721 1.00 0.00 C ATOM 822 CD GLU A 54 -0.576 12.563 -1.412 1.00 0.00 C ATOM 823 OE1 GLU A 54 -1.814 12.708 -1.521 1.00 0.00 O ATOM 824 OE2 GLU A 54 0.107 13.474 -0.893 1.00 0.00 O ATOM 0 H GLU A 54 -1.879 9.346 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.473 11.906 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.473 9.750 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.783 11.405 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.441 10.438 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.106 11.232 -1.364 1.00 0.00 H new ATOM 831 N GLN A 55 -0.713 9.270 -5.655 1.00 0.00 N ATOM 832 CA GLN A 55 -0.837 8.741 -6.990 1.00 0.00 C ATOM 833 C GLN A 55 -0.429 7.285 -7.137 1.00 0.00 C ATOM 834 O GLN A 55 -1.259 6.553 -7.654 1.00 0.00 O ATOM 835 CB GLN A 55 -0.069 9.621 -7.982 1.00 0.00 C ATOM 836 CG GLN A 55 -0.912 10.515 -8.906 1.00 0.00 C ATOM 837 CD GLN A 55 -2.326 10.050 -9.255 1.00 0.00 C ATOM 838 OE1 GLN A 55 -3.251 10.861 -9.264 1.00 0.00 O ATOM 839 NE2 GLN A 55 -2.567 8.790 -9.557 1.00 0.00 N ATOM 0 H GLN A 55 -0.073 8.761 -5.046 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.903 8.762 -7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.609 10.260 -7.416 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.548 8.973 -8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.988 11.498 -8.442 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.363 10.644 -9.839 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.807 8.110 -9.552 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.514 8.495 -9.795 1.00 0.00 H new ATOM 848 N PRO A 56 0.789 6.833 -6.784 1.00 0.00 N ATOM 849 CA PRO A 56 1.131 5.448 -7.017 1.00 0.00 C ATOM 850 C PRO A 56 0.371 4.603 -6.013 1.00 0.00 C ATOM 851 O PRO A 56 0.723 4.536 -4.834 1.00 0.00 O ATOM 852 CB PRO A 56 2.638 5.336 -6.939 1.00 0.00 C ATOM 853 CG PRO A 56 3.105 6.583 -6.204 1.00 0.00 C ATOM 854 CD PRO A 56 1.926 7.556 -6.238 1.00 0.00 C ATOM 0 HA PRO A 56 0.841 5.080 -8.001 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.937 4.433 -6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.079 5.280 -7.934 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.388 6.348 -5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.982 7.015 -6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.703 7.925 -5.237 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.161 8.425 -6.853 1.00 0.00 H new ATOM 862 N TYR A 57 -0.752 4.074 -6.475 1.00 0.00 N ATOM 863 CA TYR A 57 -1.713 3.359 -5.663 1.00 0.00 C ATOM 864 C TYR A 57 -1.275 1.900 -5.592 1.00 0.00 C ATOM 865 O TYR A 57 -1.447 1.143 -6.550 1.00 0.00 O ATOM 866 CB TYR A 57 -3.115 3.534 -6.251 1.00 0.00 C ATOM 867 CG TYR A 57 -3.563 4.972 -6.498 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.420 5.984 -5.519 1.00 0.00 C ATOM 869 CD2 TYR A 57 -4.086 5.303 -7.761 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.858 7.301 -5.777 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.472 6.622 -8.055 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.405 7.612 -7.047 1.00 0.00 C ATOM 873 OH TYR A 57 -4.874 8.857 -7.319 1.00 0.00 O ATOM 0 H TYR A 57 -1.024 4.135 -7.456 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.753 3.753 -4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.161 2.993 -7.196 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.831 3.062 -5.578 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.972 5.746 -4.566 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.192 4.535 -8.513 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.777 8.063 -5.016 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.818 6.878 -9.045 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.556 9.101 -6.659 1.00 0.00 H new ATOM 883 N VAL A 58 -0.669 1.513 -4.474 1.00 0.00 N ATOM 884 CA VAL A 58 -0.203 0.160 -4.237 1.00 0.00 C ATOM 885 C VAL A 58 -1.414 -0.714 -3.895 1.00 0.00 C ATOM 886 O VAL A 58 -1.812 -0.814 -2.735 1.00 0.00 O ATOM 887 CB VAL A 58 0.893 0.157 -3.153 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.453 -1.246 -2.928 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.073 1.059 -3.545 1.00 0.00 C ATOM 0 H VAL A 58 -0.487 2.146 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 58 0.265 -0.261 -5.127 1.00 0.00 H new ATOM 0 HB VAL A 58 0.418 0.526 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.223 -1.211 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.651 -1.911 -2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.885 -1.618 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.827 1.034 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.509 0.702 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.721 2.082 -3.677 1.00 0.00 H new ATOM 899 N PHE A 59 -2.060 -1.309 -4.896 1.00 0.00 N ATOM 900 CA PHE A 59 -3.232 -2.158 -4.700 1.00 0.00 C ATOM 901 C PHE A 59 -2.853 -3.556 -4.241 1.00 0.00 C ATOM 902 O PHE A 59 -1.688 -3.960 -4.288 1.00 0.00 O ATOM 903 CB PHE A 59 -4.021 -2.259 -6.007 1.00 0.00 C ATOM 904 CG PHE A 59 -4.526 -0.956 -6.561 1.00 0.00 C ATOM 905 CD1 PHE A 59 -5.481 -0.228 -5.840 1.00 0.00 C ATOM 906 CD2 PHE A 59 -4.037 -0.465 -7.783 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.923 1.017 -6.319 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.540 0.743 -8.291 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.473 1.496 -7.559 1.00 0.00 C ATOM 0 H PHE A 59 -1.782 -1.214 -5.873 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.841 -1.699 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.388 -2.732 -6.758 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.873 -2.920 -5.847 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.877 -0.623 -4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.281 -1.012 -8.327 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.611 1.607 -5.731 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.206 1.097 -9.255 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.841 2.435 -7.947 1.00 0.00 H new ATOM 919 N ILE A 60 -3.882 -4.308 -3.843 1.00 0.00 N ATOM 920 CA ILE A 60 -3.781 -5.701 -3.452 1.00 0.00 C ATOM 921 C ILE A 60 -4.880 -6.487 -4.159 1.00 0.00 C ATOM 922 O ILE A 60 -6.052 -6.128 -4.057 1.00 0.00 O ATOM 923 CB ILE A 60 -3.792 -5.839 -1.913 1.00 0.00 C ATOM 924 CG1 ILE A 60 -5.108 -5.467 -1.197 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.628 -5.030 -1.340 1.00 0.00 C ATOM 926 CD1 ILE A 60 -5.160 -5.927 0.264 1.00 0.00 C ATOM 0 H ILE A 60 -4.834 -3.946 -3.785 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.828 -6.126 -3.766 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.688 -6.906 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.239 -4.386 -1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.945 -5.909 -1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.623 -5.118 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.688 -5.412 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.741 -3.982 -1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.112 -5.632 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.060 -7.012 0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.344 -5.465 0.820 1.00 0.00 H new ATOM 938 N LYS A 61 -4.528 -7.544 -4.891 1.00 0.00 N ATOM 939 CA LYS A 61 -5.492 -8.425 -5.567 1.00 0.00 C ATOM 940 C LYS A 61 -5.282 -9.844 -5.104 1.00 0.00 C ATOM 941 O LYS A 61 -4.154 -10.182 -4.771 1.00 0.00 O ATOM 942 CB LYS A 61 -5.471 -8.343 -7.101 1.00 0.00 C ATOM 943 CG LYS A 61 -4.236 -7.683 -7.664 1.00 0.00 C ATOM 944 CD LYS A 61 -4.083 -7.920 -9.169 1.00 0.00 C ATOM 945 CE LYS A 61 -2.592 -8.019 -9.436 1.00 0.00 C ATOM 946 NZ LYS A 61 -2.237 -8.304 -10.841 1.00 0.00 N ATOM 0 H LYS A 61 -3.556 -7.819 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.483 -8.071 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.550 -9.350 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.350 -7.793 -7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.280 -6.611 -7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.355 -8.065 -7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.594 -8.834 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.526 -7.103 -9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.120 -7.083 -9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.174 -8.802 -8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.203 -8.288 -10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.598 -9.243 -11.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.660 -7.583 -11.459 1.00 0.00 H new ATOM 960 N ARG A 62 -6.341 -10.657 -5.071 1.00 0.00 N ATOM 961 CA ARG A 62 -6.412 -12.007 -4.484 1.00 0.00 C ATOM 962 C ARG A 62 -5.639 -13.102 -5.233 1.00 0.00 C ATOM 963 O ARG A 62 -6.159 -14.190 -5.483 1.00 0.00 O ATOM 964 CB ARG A 62 -7.868 -12.411 -4.225 1.00 0.00 C ATOM 965 CG ARG A 62 -8.807 -12.117 -5.401 1.00 0.00 C ATOM 966 CD ARG A 62 -10.130 -12.893 -5.358 1.00 0.00 C ATOM 967 NE ARG A 62 -10.222 -13.789 -6.521 1.00 0.00 N ATOM 968 CZ ARG A 62 -10.893 -13.583 -7.663 1.00 0.00 C ATOM 969 NH1 ARG A 62 -11.882 -12.697 -7.749 1.00 0.00 N ATOM 970 NH2 ARG A 62 -10.546 -14.278 -8.737 1.00 0.00 N ATOM 0 H ARG A 62 -7.232 -10.376 -5.479 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.884 -11.927 -3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.906 -13.477 -3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.230 -11.885 -3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.025 -11.049 -5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.291 -12.352 -6.332 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.193 -13.471 -4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.970 -12.198 -5.356 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.715 -14.671 -6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.150 -12.150 -6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.373 -12.564 -8.633 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.783 -14.953 -8.683 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.042 -14.138 -9.617 1.00 0.00 H new ATOM 984 N SER A 63 -4.392 -12.819 -5.588 1.00 0.00 N ATOM 985 CA SER A 63 -3.642 -13.526 -6.622 1.00 0.00 C ATOM 986 C SER A 63 -4.487 -13.558 -7.913 1.00 0.00 C ATOM 987 O SER A 63 -5.558 -12.951 -7.983 1.00 0.00 O ATOM 988 CB SER A 63 -3.226 -14.905 -6.063 1.00 0.00 C ATOM 989 OG SER A 63 -2.299 -15.593 -6.883 1.00 0.00 O ATOM 0 H SER A 63 -3.857 -12.068 -5.152 1.00 0.00 H new ATOM 0 HA SER A 63 -2.714 -13.023 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.792 -14.770 -5.072 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.117 -15.521 -5.940 1.00 0.00 H new ATOM 0 HG SER A 63 -2.076 -16.455 -6.473 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.371 -15.573 0.605 1.00 0.00 N ATOM 1117 CA LYS A 73 -8.313 -15.661 -0.854 1.00 0.00 C ATOM 1118 C LYS A 73 -6.905 -15.442 -1.391 1.00 0.00 C ATOM 1119 O LYS A 73 -6.695 -15.432 -2.597 1.00 0.00 O ATOM 1120 CB LYS A 73 -9.268 -14.642 -1.488 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.717 -14.749 -1.005 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.505 -15.915 -1.610 1.00 0.00 C ATOM 1123 CE LYS A 73 -12.025 -15.565 -3.010 1.00 0.00 C ATOM 1124 NZ LYS A 73 -12.899 -16.628 -3.539 1.00 0.00 N ATOM 0 HA LYS A 73 -8.618 -16.672 -1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.901 -13.638 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.248 -14.768 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.718 -14.851 0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.234 -13.818 -1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.868 -16.798 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.343 -16.167 -0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.575 -14.625 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.183 -15.414 -3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.235 -16.362 -4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.365 -17.519 -3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.714 -16.754 -2.906 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.954 -15.300 -0.475 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.666 -14.676 -0.592 1.00 0.00 C ATOM 1140 C VAL A 74 -4.764 -13.249 -1.155 1.00 0.00 C ATOM 1141 O VAL A 74 -5.875 -12.765 -1.375 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.667 -15.655 -1.222 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -3.935 -17.143 -0.910 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.380 -15.470 -2.704 1.00 0.00 C ATOM 0 H VAL A 74 -6.095 -15.664 0.467 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.231 -14.473 0.386 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.754 -15.362 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.179 -17.759 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.894 -17.302 0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.922 -17.420 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.660 -16.220 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.305 -15.582 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.969 -14.475 -2.874 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.636 -12.544 -1.269 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.395 -11.399 -2.135 1.00 0.00 C ATOM 1156 C VAL A 75 -1.927 -11.361 -2.565 1.00 0.00 C ATOM 1157 O VAL A 75 -1.133 -12.243 -2.217 1.00 0.00 O ATOM 1158 CB VAL A 75 -3.824 -10.039 -1.533 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.322 -9.854 -1.370 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.153 -9.738 -0.198 1.00 0.00 C ATOM 0 H VAL A 75 -2.811 -12.779 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.035 -11.544 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.482 -9.330 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.523 -8.872 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.806 -9.931 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.714 -10.626 -0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.495 -8.771 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.412 -10.514 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.072 -9.713 -0.332 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.572 -10.355 -3.357 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.230 -9.963 -3.733 1.00 0.00 C ATOM 1172 C GLU A 76 -0.152 -8.427 -3.722 1.00 0.00 C ATOM 1173 O GLU A 76 -1.195 -7.767 -3.681 1.00 0.00 O ATOM 1174 CB GLU A 76 0.105 -10.549 -5.111 1.00 0.00 C ATOM 1175 CG GLU A 76 -0.827 -10.079 -6.241 1.00 0.00 C ATOM 1176 CD GLU A 76 -0.505 -10.799 -7.546 1.00 0.00 C ATOM 1177 OE1 GLU A 76 -0.526 -12.048 -7.579 1.00 0.00 O ATOM 1178 OE2 GLU A 76 -0.209 -10.118 -8.550 1.00 0.00 O ATOM 0 H GLU A 76 -2.274 -9.749 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 76 0.505 -10.350 -3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.130 -10.282 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.064 -11.637 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.864 -10.266 -5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.723 -9.003 -6.379 1.00 0.00 H new ATOM 1185 N LEU A 77 1.059 -7.863 -3.788 1.00 0.00 N ATOM 1186 CA LEU A 77 1.309 -6.436 -4.021 1.00 0.00 C ATOM 1187 C LEU A 77 1.129 -6.131 -5.502 1.00 0.00 C ATOM 1188 O LEU A 77 1.483 -6.960 -6.343 1.00 0.00 O ATOM 1189 CB LEU A 77 2.769 -6.066 -3.660 1.00 0.00 C ATOM 1190 CG LEU A 77 2.972 -5.615 -2.207 1.00 0.00 C ATOM 1191 CD1 LEU A 77 4.460 -5.584 -1.834 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.433 -4.205 -2.006 1.00 0.00 C ATOM 0 H LEU A 77 1.918 -8.403 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 77 0.613 -5.869 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.407 -6.929 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.103 -5.269 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 77 2.441 -6.331 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.569 -5.261 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.885 -6.581 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.985 -4.888 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.585 -3.901 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.959 -3.517 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.368 -4.186 -2.237 1.00 0.00 H new ATOM 1204 N VAL A 78 0.688 -4.917 -5.823 1.00 0.00 N ATOM 1205 CA VAL A 78 0.633 -4.346 -7.164 1.00 0.00 C ATOM 1206 C VAL A 78 0.845 -2.839 -6.993 1.00 0.00 C ATOM 1207 O VAL A 78 0.620 -2.334 -5.898 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.746 -4.628 -7.812 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.606 -4.932 -9.305 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -1.543 -5.786 -7.205 1.00 0.00 C ATOM 0 H VAL A 78 0.341 -4.271 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 78 1.391 -4.782 -7.815 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.296 -3.706 -7.620 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.591 -5.126 -9.731 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.154 -4.078 -9.809 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.026 -5.809 -9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.490 -5.893 -7.735 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.970 -6.709 -7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.738 -5.581 -6.152 1.00 0.00 H new ATOM 1220 N ALA A 79 1.203 -2.102 -8.045 1.00 0.00 N ATOM 1221 CA ALA A 79 1.256 -0.644 -8.035 1.00 0.00 C ATOM 1222 C ALA A 79 0.917 -0.157 -9.449 1.00 0.00 C ATOM 1223 O ALA A 79 1.202 -0.855 -10.428 1.00 0.00 O ATOM 1224 CB ALA A 79 2.642 -0.193 -7.560 1.00 0.00 C ATOM 0 H ALA A 79 1.468 -2.510 -8.941 1.00 0.00 H new ATOM 0 HA ALA A 79 0.533 -0.211 -7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.687 0.896 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.823 -0.572 -6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.403 -0.582 -8.237 1.00 0.00 H new ATOM 1230 N GLU A 80 0.288 1.013 -9.560 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.142 1.640 -10.810 1.00 0.00 C ATOM 1232 C GLU A 80 -0.038 3.155 -10.662 1.00 0.00 C ATOM 1233 O GLU A 80 -0.188 3.660 -9.550 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.599 1.255 -11.112 1.00 0.00 C ATOM 1235 CG GLU A 80 -1.764 -0.076 -11.859 1.00 0.00 C ATOM 1236 CD GLU A 80 -1.335 -0.029 -13.329 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -0.776 0.994 -13.774 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -1.592 -1.024 -14.041 1.00 0.00 O ATOM 0 H GLU A 80 0.053 1.576 -8.742 1.00 0.00 H new ATOM 0 HA GLU A 80 0.493 1.300 -11.628 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.149 1.201 -10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.056 2.048 -11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.182 -0.842 -11.347 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.809 -0.382 -11.807 1.00 0.00 H new ATOM 1245 N MET A 81 0.181 3.869 -11.774 1.00 0.00 N ATOM 1246 CA MET A 81 0.356 5.312 -11.828 1.00 0.00 C ATOM 1247 C MET A 81 -0.986 6.010 -11.598 1.00 0.00 C ATOM 1248 O MET A 81 -1.222 6.541 -10.522 1.00 0.00 O ATOM 1249 CB MET A 81 0.994 5.642 -13.193 1.00 0.00 C ATOM 1250 CG MET A 81 0.985 7.117 -13.588 1.00 0.00 C ATOM 1251 SD MET A 81 2.194 8.205 -12.779 1.00 0.00 S ATOM 1252 CE MET A 81 1.379 8.562 -11.204 1.00 0.00 C ATOM 0 H MET A 81 0.242 3.432 -12.694 1.00 0.00 H new ATOM 0 HA MET A 81 1.015 5.676 -11.040 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.027 5.293 -13.185 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.472 5.075 -13.964 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.144 7.179 -14.665 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.011 7.513 -13.389 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.677 9.551 -10.856 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.298 8.536 -11.340 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.670 7.815 -10.466 1.00 0.00 H new ATOM 1262 N ASP A 82 -1.876 6.016 -12.595 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.224 6.599 -12.510 1.00 0.00 C ATOM 1264 C ASP A 82 -4.163 5.668 -11.740 1.00 0.00 C ATOM 1265 O ASP A 82 -5.336 5.979 -11.540 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.809 6.768 -13.930 1.00 0.00 C ATOM 1267 CG ASP A 82 -3.108 7.767 -14.852 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -1.913 7.567 -15.167 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -3.775 8.686 -15.373 1.00 0.00 O ATOM 0 H ASP A 82 -1.677 5.606 -13.507 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.142 7.560 -12.002 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.802 5.793 -14.418 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.852 7.069 -13.834 1.00 0.00 H new ATOM 1274 N GLY A 83 -3.685 4.485 -11.358 1.00 0.00 N ATOM 1275 CA GLY A 83 -4.515 3.378 -10.926 1.00 0.00 C ATOM 1276 C GLY A 83 -5.193 2.662 -12.093 1.00 0.00 C ATOM 1277 O GLY A 83 -6.211 2.007 -11.881 1.00 0.00 O ATOM 0 H GLY A 83 -2.688 4.272 -11.342 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.904 2.665 -10.373 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.277 3.746 -10.239 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.618 2.787 -13.296 1.00 0.00 N ATOM 1282 CA ILE A 84 -5.036 2.192 -14.568 1.00 0.00 C ATOM 1283 C ILE A 84 -5.789 0.869 -14.407 1.00 0.00 C ATOM 1284 O ILE A 84 -6.975 0.781 -14.750 1.00 0.00 O ATOM 1285 CB ILE A 84 -3.776 2.062 -15.456 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -3.361 3.446 -16.007 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -3.890 1.057 -16.610 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -1.962 3.841 -15.527 1.00 0.00 C ATOM 0 H ILE A 84 -3.779 3.355 -13.412 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.766 2.843 -15.048 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.008 1.661 -14.795 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.382 3.427 -17.097 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.083 4.198 -15.688 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.956 1.040 -17.172 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.090 0.063 -16.209 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.705 1.352 -17.271 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.701 4.819 -15.932 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.950 3.885 -14.438 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.238 3.101 -15.869 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.098 -0.169 -13.951 1.00 0.00 N ATOM 1301 CA GLN A 85 -5.674 -1.468 -13.678 1.00 0.00 C ATOM 1302 C GLN A 85 -5.782 -1.611 -12.171 1.00 0.00 C ATOM 1303 O GLN A 85 -5.159 -0.870 -11.409 1.00 0.00 O ATOM 1304 CB GLN A 85 -4.776 -2.559 -14.280 1.00 0.00 C ATOM 1305 CG GLN A 85 -4.934 -2.698 -15.802 1.00 0.00 C ATOM 1306 CD GLN A 85 -5.733 -3.948 -16.149 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -5.216 -5.055 -16.078 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -7.006 -3.824 -16.491 1.00 0.00 N ATOM 0 H GLN A 85 -4.097 -0.123 -13.758 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.663 -1.569 -14.125 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.735 -2.333 -14.048 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.008 -3.514 -13.808 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.436 -1.817 -16.202 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.952 -2.746 -16.272 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.431 -2.898 -16.548 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.562 -4.654 -16.697 1.00 0.00 H new ATOM 1317 N TYR A 86 -6.550 -2.610 -11.746 1.00 0.00 N ATOM 1318 CA TYR A 86 -6.663 -3.079 -10.371 1.00 0.00 C ATOM 1319 C TYR A 86 -7.446 -2.102 -9.491 1.00 0.00 C ATOM 1320 O TYR A 86 -8.242 -2.571 -8.682 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.285 -3.433 -9.790 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.370 -4.118 -10.788 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -4.768 -5.326 -11.391 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.165 -3.507 -11.184 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -3.915 -5.982 -12.291 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.328 -4.127 -12.127 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.686 -5.387 -12.652 1.00 0.00 C ATOM 1328 OH TYR A 86 -1.859 -6.071 -13.481 1.00 0.00 O ATOM 0 H TYR A 86 -7.141 -3.141 -12.386 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.246 -4.000 -10.383 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.804 -2.522 -9.433 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.419 -4.083 -8.925 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.734 -5.750 -11.160 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.882 -2.555 -10.760 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.197 -6.938 -12.706 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.417 -3.643 -12.448 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.050 -5.542 -13.646 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.302 -0.785 -9.659 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.141 0.227 -9.042 1.00 0.00 C ATOM 1340 C GLY A 87 -9.603 -0.134 -9.255 1.00 0.00 C ATOM 1341 O GLY A 87 -10.082 -0.089 -10.386 1.00 0.00 O ATOM 0 H GLY A 87 -6.571 -0.388 -10.250 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.923 0.296 -7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.929 1.205 -9.475 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.284 -0.551 -8.183 1.00 0.00 N ATOM 1346 CA ARG A 88 -11.668 -1.026 -8.193 1.00 0.00 C ATOM 1347 C ARG A 88 -11.892 -2.077 -9.288 1.00 0.00 C ATOM 1348 O ARG A 88 -12.884 -2.052 -10.012 1.00 0.00 O ATOM 1349 CB ARG A 88 -12.584 0.215 -8.217 1.00 0.00 C ATOM 1350 CG ARG A 88 -14.065 0.013 -7.873 1.00 0.00 C ATOM 1351 CD ARG A 88 -14.935 -0.297 -9.091 1.00 0.00 C ATOM 1352 NE ARG A 88 -16.339 0.029 -8.864 1.00 0.00 N ATOM 1353 CZ ARG A 88 -17.356 -0.481 -9.554 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -17.150 -1.257 -10.616 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -18.584 -0.178 -9.169 1.00 0.00 N ATOM 0 H ARG A 88 -9.870 -0.567 -7.251 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.925 -1.581 -7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.175 0.948 -7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.528 0.655 -9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.155 -0.802 -7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.443 0.912 -7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.568 0.265 -9.950 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.845 -1.354 -9.340 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.556 0.696 -8.123 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.198 -1.471 -10.915 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.944 -1.638 -11.131 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -18.730 0.431 -8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -19.385 -0.553 -9.677 1.00 0.00 H new ATOM 1369 N SER A 89 -10.991 -3.044 -9.426 1.00 0.00 N ATOM 1370 CA SER A 89 -11.340 -4.323 -10.030 1.00 0.00 C ATOM 1371 C SER A 89 -11.879 -5.244 -8.921 1.00 0.00 C ATOM 1372 O SER A 89 -11.504 -5.074 -7.764 1.00 0.00 O ATOM 1373 CB SER A 89 -10.105 -4.914 -10.716 1.00 0.00 C ATOM 1374 OG SER A 89 -9.461 -3.997 -11.592 1.00 0.00 O ATOM 0 H SER A 89 -10.018 -2.966 -9.129 1.00 0.00 H new ATOM 0 HA SER A 89 -12.111 -4.205 -10.791 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.395 -5.240 -9.956 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.399 -5.800 -11.279 1.00 0.00 H new ATOM 0 HG SER A 89 -8.680 -4.427 -11.999 1.00 0.00 H new ATOM 1380 N GLY A 90 -12.721 -6.236 -9.237 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.351 -7.092 -8.216 1.00 0.00 C ATOM 1382 C GLY A 90 -12.377 -8.046 -7.527 1.00 0.00 C ATOM 1383 O GLY A 90 -12.562 -8.424 -6.365 1.00 0.00 O ATOM 0 H GLY A 90 -12.984 -6.469 -10.195 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.819 -6.459 -7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.146 -7.673 -8.683 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.308 -8.393 -8.234 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.133 -9.076 -7.720 1.00 0.00 C ATOM 1389 C ILE A 91 -9.400 -8.240 -6.667 1.00 0.00 C ATOM 1390 O ILE A 91 -8.713 -8.797 -5.810 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.233 -9.406 -8.925 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.085 -10.367 -8.598 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -8.774 -8.137 -9.681 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -7.155 -10.575 -9.796 1.00 0.00 C ATOM 0 H ILE A 91 -11.236 -8.194 -9.232 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.424 -9.993 -7.207 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.863 -9.963 -9.618 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.512 -9.975 -7.758 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.494 -11.328 -8.285 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.142 -8.423 -10.522 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.646 -7.598 -10.050 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.210 -7.495 -9.005 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.355 -11.263 -9.521 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.722 -10.992 -10.629 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.725 -9.619 -10.093 1.00 0.00 H new ATOM 1406 N THR A 92 -9.511 -6.917 -6.726 1.00 0.00 N ATOM 1407 CA THR A 92 -8.732 -6.044 -5.885 1.00 0.00 C ATOM 1408 C THR A 92 -9.507 -5.792 -4.607 1.00 0.00 C ATOM 1409 O THR A 92 -10.711 -5.521 -4.635 1.00 0.00 O ATOM 1410 CB THR A 92 -8.430 -4.741 -6.616 1.00 0.00 C ATOM 1411 OG1 THR A 92 -7.913 -5.045 -7.892 1.00 0.00 O ATOM 1412 CG2 THR A 92 -7.401 -3.889 -5.870 1.00 0.00 C ATOM 0 H THR A 92 -10.145 -6.430 -7.360 1.00 0.00 H new ATOM 0 HA THR A 92 -7.777 -6.508 -5.639 1.00 0.00 H new ATOM 0 HB THR A 92 -9.358 -4.174 -6.685 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.175 -4.346 -8.526 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.217 -2.971 -6.427 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.783 -3.642 -4.879 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.470 -4.447 -5.771 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.819 -5.880 -3.473 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.454 -5.723 -2.181 1.00 0.00 C ATOM 1422 C LEU A 93 -9.406 -4.244 -1.811 1.00 0.00 C ATOM 1423 O LEU A 93 -10.459 -3.607 -1.740 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.847 -6.650 -1.116 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.512 -8.083 -1.571 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -8.139 -8.905 -0.335 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -9.656 -8.785 -2.315 1.00 0.00 C ATOM 0 H LEU A 93 -7.816 -6.060 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.497 -6.034 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.934 -6.188 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.542 -6.710 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.687 -8.009 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.898 -9.925 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.274 -8.456 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.979 -8.920 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.342 -9.788 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.528 -8.850 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.912 -8.216 -3.209 1.00 0.00 H new ATOM 1439 N GLY A 94 -8.202 -3.681 -1.656 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.939 -2.306 -1.229 1.00 0.00 C ATOM 1441 C GLY A 94 -6.585 -1.856 -1.772 1.00 0.00 C ATOM 1442 O GLY A 94 -6.076 -2.417 -2.749 1.00 0.00 O ATOM 0 H GLY A 94 -7.343 -4.200 -1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.726 -1.644 -1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.946 -2.244 -0.141 1.00 0.00 H new ATOM 1446 N VAL A 95 -6.028 -0.835 -1.134 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.715 -0.241 -1.352 1.00 0.00 C ATOM 1448 C VAL A 95 -3.940 -0.374 -0.047 1.00 0.00 C ATOM 1449 O VAL A 95 -4.526 -0.558 1.018 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.917 1.229 -1.799 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.629 2.057 -1.908 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.629 1.372 -3.131 1.00 0.00 C ATOM 0 H VAL A 95 -6.528 -0.359 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.144 -0.737 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.532 1.616 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.874 3.070 -2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.135 2.091 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.962 1.598 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.733 2.429 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.049 0.875 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.617 0.915 -3.067 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.620 -0.301 -0.127 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.712 -0.341 0.997 1.00 0.00 C ATOM 1464 C LEU A 96 -1.029 1.000 1.121 1.00 0.00 C ATOM 1465 O LEU A 96 -0.797 1.692 0.129 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.656 -1.418 0.773 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.193 -2.844 0.889 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -0.060 -3.815 0.553 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.784 -3.206 2.249 1.00 0.00 C ATOM 0 H LEU A 96 -2.136 -0.208 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.270 -0.567 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.219 -1.284 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.147 -1.282 1.498 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.024 -2.916 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.424 -4.840 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.289 -3.630 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.764 -3.669 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.137 -4.237 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.019 -3.099 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.618 -2.541 2.472 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.689 1.344 2.350 1.00 0.00 N ATOM 1482 CA VAL A 97 -0.141 2.626 2.757 1.00 0.00 C ATOM 1483 C VAL A 97 0.743 2.375 3.977 1.00 0.00 C ATOM 1484 O VAL A 97 0.622 1.319 4.604 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.303 3.584 3.082 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -2.037 3.986 1.782 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.280 2.974 4.116 1.00 0.00 C ATOM 0 H VAL A 97 -0.794 0.701 3.135 1.00 0.00 H new ATOM 0 HA VAL A 97 0.456 3.085 1.969 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.885 4.482 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.857 4.663 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.339 4.485 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.433 3.094 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.085 3.681 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.700 2.050 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.744 2.761 5.041 1.00 0.00 H new ATOM 1497 N PRO A 98 1.649 3.286 4.344 1.00 0.00 N ATOM 1498 CA PRO A 98 2.373 3.126 5.587 1.00 0.00 C ATOM 1499 C PRO A 98 1.415 3.172 6.781 1.00 0.00 C ATOM 1500 O PRO A 98 0.437 3.920 6.786 1.00 0.00 O ATOM 1501 CB PRO A 98 3.416 4.232 5.641 1.00 0.00 C ATOM 1502 CG PRO A 98 3.296 4.992 4.322 1.00 0.00 C ATOM 1503 CD PRO A 98 2.105 4.418 3.567 1.00 0.00 C ATOM 0 HA PRO A 98 2.866 2.155 5.636 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.239 4.893 6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.417 3.818 5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.156 6.057 4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.208 4.887 3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.315 5.162 3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.392 4.111 2.561 1.00 0.00 H new ATOM 1511 N HIS A 99 1.715 2.392 7.814 1.00 0.00 N ATOM 1512 CA HIS A 99 1.200 2.595 9.154 1.00 0.00 C ATOM 1513 C HIS A 99 2.263 3.378 9.912 1.00 0.00 C ATOM 1514 O HIS A 99 3.387 2.901 10.071 1.00 0.00 O ATOM 1515 CB HIS A 99 0.924 1.257 9.845 1.00 0.00 C ATOM 1516 CG HIS A 99 0.589 1.409 11.306 1.00 0.00 C ATOM 1517 ND1 HIS A 99 1.312 0.878 12.349 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.398 2.194 11.842 1.00 0.00 C ATOM 1519 CE1 HIS A 99 0.768 1.320 13.492 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -0.305 2.090 13.230 1.00 0.00 N ATOM 0 H HIS A 99 2.336 1.586 7.737 1.00 0.00 H new ATOM 0 HA HIS A 99 0.254 3.136 9.127 1.00 0.00 H new ATOM 0 HB2 HIS A 99 0.099 0.756 9.339 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.798 0.614 9.743 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.116 2.784 11.291 1.00 0.00 H new ATOM 0 HE1 HIS A 99 1.137 1.091 14.481 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -0.930 2.516 13.915 1.00 0.00 H new ATOM 1528 N VAL A 100 1.895 4.566 10.383 1.00 0.00 N ATOM 1529 CA VAL A 100 2.729 5.434 11.209 1.00 0.00 C ATOM 1530 C VAL A 100 1.982 5.802 12.494 1.00 0.00 C ATOM 1531 O VAL A 100 2.023 6.935 12.964 1.00 0.00 O ATOM 1532 CB VAL A 100 3.210 6.646 10.385 1.00 0.00 C ATOM 1533 CG1 VAL A 100 4.222 6.216 9.316 1.00 0.00 C ATOM 1534 CG2 VAL A 100 2.041 7.375 9.711 1.00 0.00 C ATOM 0 H VAL A 100 0.976 4.965 10.193 1.00 0.00 H new ATOM 0 HA VAL A 100 3.633 4.912 11.524 1.00 0.00 H new ATOM 0 HB VAL A 100 3.690 7.331 11.084 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.545 7.089 8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.085 5.755 9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.756 5.498 8.642 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.421 8.222 9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.522 6.689 9.041 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.347 7.732 10.472 1.00 0.00 H new ATOM 1544 N GLY A 101 1.266 4.829 13.060 1.00 0.00 N ATOM 1545 CA GLY A 101 0.742 4.932 14.404 1.00 0.00 C ATOM 1546 C GLY A 101 -0.546 5.732 14.552 1.00 0.00 C ATOM 1547 O GLY A 101 -0.956 5.906 15.693 1.00 0.00 O ATOM 0 H GLY A 101 1.039 3.952 12.592 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.568 3.925 14.785 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.504 5.385 15.038 1.00 0.00 H new ATOM 1551 N GLU A 102 -1.172 6.206 13.466 1.00 0.00 N ATOM 1552 CA GLU A 102 -2.356 7.076 13.457 1.00 0.00 C ATOM 1553 C GLU A 102 -3.538 6.483 14.243 1.00 0.00 C ATOM 1554 O GLU A 102 -3.570 6.612 15.465 1.00 0.00 O ATOM 1555 CB GLU A 102 -2.711 7.445 12.000 1.00 0.00 C ATOM 1556 CG GLU A 102 -1.839 8.589 11.460 1.00 0.00 C ATOM 1557 CD GLU A 102 -2.257 9.954 12.025 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -3.344 10.469 11.681 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -1.507 10.486 12.880 1.00 0.00 O ATOM 0 H GLU A 102 -0.851 5.982 12.524 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.116 7.997 13.989 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.589 6.567 11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.761 7.734 11.946 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.796 8.398 11.711 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.906 8.612 10.372 1.00 0.00 H new ATOM 1566 N THR A 103 -4.540 5.878 13.601 1.00 0.00 N ATOM 1567 CA THR A 103 -5.767 5.424 14.259 1.00 0.00 C ATOM 1568 C THR A 103 -6.489 4.464 13.309 1.00 0.00 C ATOM 1569 O THR A 103 -7.132 4.922 12.369 1.00 0.00 O ATOM 1570 CB THR A 103 -6.644 6.643 14.623 1.00 0.00 C ATOM 1571 OG1 THR A 103 -6.070 7.352 15.702 1.00 0.00 O ATOM 1572 CG2 THR A 103 -8.044 6.259 15.077 1.00 0.00 C ATOM 0 H THR A 103 -4.522 5.688 12.599 1.00 0.00 H new ATOM 0 HA THR A 103 -5.543 4.899 15.187 1.00 0.00 H new ATOM 0 HB THR A 103 -6.703 7.238 13.712 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.229 6.923 15.965 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.608 7.160 15.318 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.550 5.717 14.278 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.979 5.625 15.961 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.341 3.140 13.435 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.087 2.219 12.594 1.00 0.00 C ATOM 1582 C PRO A 104 -8.516 2.020 13.090 1.00 0.00 C ATOM 1583 O PRO A 104 -8.758 1.965 14.297 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.288 0.926 12.610 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.516 0.966 13.929 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.319 2.459 14.200 1.00 0.00 C ATOM 0 HA PRO A 104 -7.200 2.604 11.581 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.942 0.055 12.560 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.612 0.867 11.757 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.074 0.485 14.732 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.561 0.446 13.848 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.416 2.679 15.263 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.323 2.783 13.897 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.439 1.847 12.143 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.850 1.555 12.385 1.00 0.00 C ATOM 1596 C ILE A 105 -11.122 0.043 12.413 1.00 0.00 C ATOM 1597 O ILE A 105 -12.201 -0.390 12.833 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.732 2.242 11.313 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.460 1.741 9.866 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.673 3.774 11.464 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.535 2.607 9.005 1.00 0.00 C ATOM 0 H ILE A 105 -9.215 1.909 11.150 1.00 0.00 H new ATOM 0 HA ILE A 105 -11.106 1.953 13.367 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.763 1.941 11.498 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.032 0.740 9.926 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.417 1.648 9.352 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.299 4.239 10.702 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.035 4.056 12.453 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.644 4.112 11.344 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.424 2.153 8.020 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -10.964 3.603 8.899 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.558 2.682 9.482 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.194 -0.775 11.916 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.314 -2.223 11.849 1.00 0.00 C ATOM 1615 C ALA A 106 -8.941 -2.831 11.583 1.00 0.00 C ATOM 1616 O ALA A 106 -7.954 -2.109 11.426 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.293 -2.618 10.728 1.00 0.00 C ATOM 0 H ALA A 106 -9.311 -0.432 11.538 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.698 -2.600 12.797 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.377 -3.704 10.684 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.273 -2.186 10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.923 -2.244 9.773 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.890 -4.156 11.490 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.747 -4.953 11.088 1.00 0.00 C ATOM 1625 C TYR A 107 -8.230 -5.973 10.062 1.00 0.00 C ATOM 1626 O TYR A 107 -9.289 -6.586 10.231 1.00 0.00 O ATOM 1627 CB TYR A 107 -7.126 -5.635 12.310 1.00 0.00 C ATOM 1628 CG TYR A 107 -6.070 -4.811 13.013 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.436 -3.686 13.777 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.714 -5.175 12.898 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.445 -2.921 14.415 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.727 -4.430 13.555 1.00 0.00 C ATOM 1633 CZ TYR A 107 -4.090 -3.309 14.329 1.00 0.00 C ATOM 1634 OH TYR A 107 -3.131 -2.588 14.964 1.00 0.00 O ATOM 0 H TYR A 107 -9.701 -4.735 11.709 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.973 -4.328 10.642 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.918 -5.872 13.021 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.684 -6.581 11.998 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.476 -3.412 13.872 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.435 -6.031 12.302 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.720 -2.037 14.971 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.689 -4.714 13.469 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.254 -2.995 14.801 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.460 -6.163 8.992 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.737 -7.105 7.911 1.00 0.00 C ATOM 1646 C ARG A 108 -6.662 -8.174 7.956 1.00 0.00 C ATOM 1647 O ARG A 108 -5.525 -7.861 8.321 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.693 -6.362 6.569 1.00 0.00 C ATOM 1649 CG ARG A 108 -8.402 -7.116 5.434 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.910 -6.867 5.496 1.00 0.00 C ATOM 1651 NE ARG A 108 -10.632 -7.604 4.450 1.00 0.00 N ATOM 1652 CZ ARG A 108 -11.792 -7.235 3.897 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -12.365 -6.078 4.212 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -12.382 -8.028 3.011 1.00 0.00 N ATOM 0 H ARG A 108 -6.593 -5.645 8.850 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.723 -7.556 8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.155 -5.382 6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.653 -6.192 6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -8.011 -6.789 4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.199 -8.184 5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.287 -7.164 6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.106 -5.800 5.389 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.212 -8.472 4.117 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.920 -5.455 4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.250 -5.813 3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.950 -8.916 2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.267 -7.750 2.587 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.961 -9.400 7.541 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.968 -10.449 7.376 1.00 0.00 C ATOM 1670 C ASN A 109 -6.125 -10.989 5.966 1.00 0.00 C ATOM 1671 O ASN A 109 -7.236 -11.084 5.436 1.00 0.00 O ATOM 1672 CB ASN A 109 -6.130 -11.591 8.387 1.00 0.00 C ATOM 1673 CG ASN A 109 -6.056 -11.199 9.856 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -6.651 -10.213 10.284 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -5.339 -11.947 10.675 1.00 0.00 N ATOM 0 H ASN A 109 -7.910 -9.694 7.308 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.977 -10.028 7.549 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.091 -12.074 8.209 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.358 -12.335 8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -5.279 -11.706 11.664 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -4.846 -12.765 10.318 1.00 0.00 H new ATOM 1682 N VAL A 110 -5.007 -11.356 5.363 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.895 -11.918 4.030 1.00 0.00 C ATOM 1684 C VAL A 110 -3.804 -12.986 4.097 1.00 0.00 C ATOM 1685 O VAL A 110 -3.050 -13.050 5.065 1.00 0.00 O ATOM 1686 CB VAL A 110 -4.564 -10.804 3.013 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -5.724 -9.814 2.827 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -3.288 -10.015 3.370 1.00 0.00 C ATOM 0 H VAL A 110 -4.100 -11.263 5.819 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.830 -12.368 3.696 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.391 -11.334 2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.439 -9.052 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.603 -10.347 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.954 -9.340 3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.112 -9.248 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.412 -9.544 4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.437 -10.695 3.402 1.00 0.00 H new ATOM 1698 N LEU A 111 -3.672 -13.835 3.086 1.00 0.00 N ATOM 1699 CA LEU A 111 -2.468 -14.635 2.878 1.00 0.00 C ATOM 1700 C LEU A 111 -1.659 -13.982 1.760 1.00 0.00 C ATOM 1701 O LEU A 111 -2.215 -13.225 0.972 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.917 -16.049 2.475 1.00 0.00 C ATOM 1703 CG LEU A 111 -3.018 -17.109 3.569 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.669 -17.608 4.087 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -3.911 -16.650 4.713 1.00 0.00 C ATOM 0 H LEU A 111 -4.397 -13.990 2.385 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.851 -14.694 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.894 -15.966 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.224 -16.416 1.718 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.483 -17.970 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.831 -18.358 4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.105 -18.050 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.108 -16.772 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.959 -17.430 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.501 -15.741 5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.913 -16.450 4.334 1.00 0.00 H new ATOM 1717 N LEU A 112 -0.379 -14.311 1.646 1.00 0.00 N ATOM 1718 CA LEU A 112 0.579 -13.672 0.754 1.00 0.00 C ATOM 1719 C LEU A 112 1.466 -14.752 0.144 1.00 0.00 C ATOM 1720 O LEU A 112 1.922 -15.643 0.858 1.00 0.00 O ATOM 1721 CB LEU A 112 1.389 -12.657 1.583 1.00 0.00 C ATOM 1722 CG LEU A 112 2.397 -11.765 0.830 1.00 0.00 C ATOM 1723 CD1 LEU A 112 3.818 -12.325 0.933 1.00 0.00 C ATOM 1724 CD2 LEU A 112 2.027 -11.471 -0.627 1.00 0.00 C ATOM 0 H LEU A 112 0.037 -15.062 2.196 1.00 0.00 H new ATOM 0 HA LEU A 112 0.090 -13.141 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.684 -12.006 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.934 -13.208 2.349 1.00 0.00 H new ATOM 0 HG LEU A 112 2.355 -10.801 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.506 -11.674 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.114 -12.375 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.847 -13.325 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.792 -10.838 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.959 -12.407 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.066 -10.959 -0.662 1.00 0.00 H new ATOM 1736 N ARG A 113 1.682 -14.716 -1.170 1.00 0.00 N ATOM 1737 CA ARG A 113 2.542 -15.647 -1.894 1.00 0.00 C ATOM 1738 C ARG A 113 3.920 -15.768 -1.249 1.00 0.00 C ATOM 1739 O ARG A 113 4.707 -14.820 -1.266 1.00 0.00 O ATOM 1740 CB ARG A 113 2.656 -15.209 -3.366 1.00 0.00 C ATOM 1741 CG ARG A 113 1.919 -16.197 -4.269 1.00 0.00 C ATOM 1742 CD ARG A 113 1.960 -15.758 -5.731 1.00 0.00 C ATOM 1743 NE ARG A 113 1.732 -16.923 -6.596 1.00 0.00 N ATOM 1744 CZ ARG A 113 2.622 -17.433 -7.456 1.00 0.00 C ATOM 1745 NH1 ARG A 113 3.628 -16.703 -7.926 1.00 0.00 N ATOM 1746 NH2 ARG A 113 2.515 -18.694 -7.856 1.00 0.00 N ATOM 0 H ARG A 113 1.251 -14.018 -1.776 1.00 0.00 H new ATOM 0 HA ARG A 113 2.087 -16.636 -1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 113 2.237 -14.210 -3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 113 3.705 -15.153 -3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 113 2.369 -17.185 -4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.882 -16.285 -3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.200 -14.999 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.925 -15.305 -5.959 1.00 0.00 H new ATOM 0 HE ARG A 113 0.822 -17.380 -6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 113 3.734 -15.732 -7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 113 4.294 -17.114 -8.581 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.753 -19.277 -7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 113 3.194 -19.081 -8.511 1.00 0.00 H new