USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 798 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 84 SER OG : rot 82:sc= 0.0868 USER MOD Set 1.2: A 97 SER OG : rot 4:sc= -1.94! USER MOD Set 2.1: A 67 THR OG1 : rot 180:sc= -0.704! USER MOD Set 2.2: A 69 SER OG : rot 42:sc= 0.0632 USER MOD Set 3.1: A 21 SER OG : rot 180:sc= -0.105 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 9 MET CE :methyl -155:sc= -2.99 (180deg=-4.45!) USER MOD Single : A 10 MET CE :methyl -118:sc= -1.07 (180deg=-2.58!) USER MOD Single : A 16 GLN : amide:sc=-0.000138 X(o=-0.00014,f=-0.00014) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.936 F(o=-2!,f=-0.94) USER MOD Single : A 28 THR OG1 : rot 180:sc=-8.46e-05 USER MOD Single : A 32 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-3.1!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.885 USER MOD Single : A 47 THR OG1 : rot -37:sc= -0.147 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 120:sc=0.000469 USER MOD Single : A 53 ASN : amide:sc= -1.32 X(o=-1.3,f=-1) USER MOD Single : A 57 ASN : amide:sc= -0.485 X(o=-0.49,f=-0.4) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00371) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.0796 X(o=-0.08,f=-0.08) USER MOD Single : A 66 THR OG1 : rot 56:sc= 1.06 USER MOD Single : A 70 TYR OH : rot 165:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= -0.0262 (180deg=-0.208) USER MOD Single : A 78 ASN :FLIP amide:sc= -4.21! C(o=-5.4!,f=-4.2!) USER MOD Single : A 79 THR OG1 : rot 75:sc= -0.577 USER MOD Single : A 81 TYR OH : rot 120:sc= 0.403 USER MOD Single : A 86 MET CE :methyl -168:sc= 0 (180deg=-0.176) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -38:sc= -0.0294 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.416 USER MOD Single : A 98 MET CE :methyl -116:sc= 0 (180deg=-0.247) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= -0.673 X(o=-0.67,f=-0.89) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -150:sc= -0.523 USER MOD ----------------------------------------------------------------- ATOM 80 N MET A 9 13.501 -2.079 10.189 1.00 0.00 N ATOM 81 CA MET A 9 13.137 -0.668 10.118 1.00 0.00 C ATOM 82 C MET A 9 11.657 -0.473 10.432 1.00 0.00 C ATOM 83 O MET A 9 10.885 -1.431 10.452 1.00 0.00 O ATOM 84 CB MET A 9 13.454 -0.106 8.731 1.00 0.00 C ATOM 85 CG MET A 9 14.940 0.098 8.484 1.00 0.00 C ATOM 86 SD MET A 9 15.267 1.228 7.117 1.00 0.00 S ATOM 87 CE MET A 9 14.059 0.668 5.919 1.00 0.00 C ATOM 0 HA MET A 9 13.723 -0.129 10.862 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.058 -0.783 7.974 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.939 0.847 8.607 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.405 0.486 9.390 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.405 -0.865 8.274 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.396 0.925 4.915 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.943 -0.413 5.998 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.102 1.151 6.115 1.00 0.00 H new ATOM 97 N MET A 10 11.268 0.774 10.678 1.00 0.00 N ATOM 98 CA MET A 10 9.880 1.095 10.990 1.00 0.00 C ATOM 99 C MET A 10 9.042 1.177 9.719 1.00 0.00 C ATOM 100 O MET A 10 9.310 1.975 8.820 1.00 0.00 O ATOM 101 CB MET A 10 9.799 2.417 11.755 1.00 0.00 C ATOM 102 CG MET A 10 10.116 2.283 13.236 1.00 0.00 C ATOM 103 SD MET A 10 11.599 1.306 13.544 1.00 0.00 S ATOM 104 CE MET A 10 12.850 2.343 12.791 1.00 0.00 C ATOM 0 H MET A 10 11.895 1.579 10.667 1.00 0.00 H new ATOM 0 HA MET A 10 9.481 0.297 11.616 1.00 0.00 H new ATOM 0 HB2 MET A 10 10.491 3.130 11.307 1.00 0.00 H new ATOM 0 HB3 MET A 10 8.797 2.832 11.642 1.00 0.00 H new ATOM 0 HG2 MET A 10 10.244 3.276 13.667 1.00 0.00 H new ATOM 0 HG3 MET A 10 9.270 1.821 13.744 1.00 0.00 H new ATOM 0 HE1 MET A 10 13.324 1.804 11.971 1.00 0.00 H new ATOM 0 HE2 MET A 10 12.387 3.252 12.408 1.00 0.00 H new ATOM 0 HE3 MET A 10 13.602 2.605 13.536 1.00 0.00 H new ATOM 114 N PRO A 11 8.002 0.333 9.638 1.00 0.00 N ATOM 115 CA PRO A 11 7.104 0.292 8.481 1.00 0.00 C ATOM 116 C PRO A 11 6.228 1.536 8.383 1.00 0.00 C ATOM 117 O PRO A 11 6.025 2.261 9.357 1.00 0.00 O ATOM 118 CB PRO A 11 6.245 -0.947 8.743 1.00 0.00 C ATOM 119 CG PRO A 11 6.269 -1.120 10.222 1.00 0.00 C ATOM 120 CD PRO A 11 7.624 -0.645 10.672 1.00 0.00 C ATOM 0 HA PRO A 11 7.653 0.256 7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.228 -0.808 8.377 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.649 -1.823 8.236 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.476 -0.542 10.696 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.110 -2.163 10.496 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.582 -0.189 11.661 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.339 -1.466 10.730 1.00 0.00 H new ATOM 128 N PRO A 12 5.695 1.792 7.179 1.00 0.00 N ATOM 129 CA PRO A 12 4.831 2.949 6.925 1.00 0.00 C ATOM 130 C PRO A 12 3.473 2.819 7.607 1.00 0.00 C ATOM 131 O PRO A 12 2.713 1.892 7.328 1.00 0.00 O ATOM 132 CB PRO A 12 4.667 2.943 5.403 1.00 0.00 C ATOM 133 CG PRO A 12 4.885 1.524 5.004 1.00 0.00 C ATOM 134 CD PRO A 12 5.894 0.972 5.972 1.00 0.00 C ATOM 0 HA PRO A 12 5.260 3.871 7.318 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.676 3.289 5.110 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.389 3.604 4.924 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.954 0.959 5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.251 1.459 3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.722 -0.086 6.172 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.910 1.062 5.588 1.00 0.00 H new ATOM 142 N VAL A 13 3.174 3.754 8.503 1.00 0.00 N ATOM 143 CA VAL A 13 1.906 3.745 9.223 1.00 0.00 C ATOM 144 C VAL A 13 0.939 4.774 8.648 1.00 0.00 C ATOM 145 O VAL A 13 1.321 5.612 7.833 1.00 0.00 O ATOM 146 CB VAL A 13 2.111 4.032 10.723 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.034 2.994 11.344 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.660 5.436 10.926 1.00 0.00 C ATOM 0 H VAL A 13 3.792 4.527 8.748 1.00 0.00 H new ATOM 0 HA VAL A 13 1.482 2.748 9.105 1.00 0.00 H new ATOM 0 HB VAL A 13 1.145 3.969 11.223 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.167 3.213 12.403 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.595 2.003 11.231 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.002 3.022 10.843 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.799 5.622 11.991 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.617 5.530 10.414 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.958 6.164 10.519 1.00 0.00 H new ATOM 158 N GLY A 14 -0.317 4.703 9.079 1.00 0.00 N ATOM 159 CA GLY A 14 -1.320 5.634 8.597 1.00 0.00 C ATOM 160 C GLY A 14 -1.872 5.240 7.242 1.00 0.00 C ATOM 161 O GLY A 14 -2.699 5.951 6.669 1.00 0.00 O ATOM 0 H GLY A 14 -0.657 4.017 9.753 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.137 5.688 9.317 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.885 6.631 8.533 1.00 0.00 H new ATOM 165 N VAL A 15 -1.414 4.105 6.725 1.00 0.00 N ATOM 166 CA VAL A 15 -1.868 3.617 5.427 1.00 0.00 C ATOM 167 C VAL A 15 -3.384 3.713 5.303 1.00 0.00 C ATOM 168 O VAL A 15 -4.119 3.146 6.111 1.00 0.00 O ATOM 169 CB VAL A 15 -1.436 2.158 5.194 1.00 0.00 C ATOM 170 CG1 VAL A 15 -1.687 1.750 3.750 1.00 0.00 C ATOM 171 CG2 VAL A 15 0.028 1.970 5.562 1.00 0.00 C ATOM 0 H VAL A 15 -0.729 3.505 7.185 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.404 4.251 4.671 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.035 1.514 5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.375 0.716 3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.749 1.844 3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.116 2.398 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.316 0.933 5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.645 2.624 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.174 2.218 6.613 1.00 0.00 H new ATOM 181 N GLN A 16 -3.845 4.435 4.287 1.00 0.00 N ATOM 182 CA GLN A 16 -5.275 4.605 4.057 1.00 0.00 C ATOM 183 C GLN A 16 -5.619 4.396 2.587 1.00 0.00 C ATOM 184 O GLN A 16 -4.733 4.220 1.751 1.00 0.00 O ATOM 185 CB GLN A 16 -5.722 5.998 4.505 1.00 0.00 C ATOM 186 CG GLN A 16 -4.679 7.078 4.267 1.00 0.00 C ATOM 187 CD GLN A 16 -5.223 8.475 4.490 1.00 0.00 C ATOM 188 OE1 GLN A 16 -6.140 8.914 3.796 1.00 0.00 O ATOM 189 NE2 GLN A 16 -4.660 9.182 5.463 1.00 0.00 N ATOM 0 H GLN A 16 -3.249 4.912 3.610 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.804 3.854 4.644 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.636 6.265 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.966 5.968 5.567 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.832 6.912 4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.304 6.997 3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.902 8.779 6.014 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.985 10.128 5.660 1.00 0.00 H new ATOM 198 N ALA A 17 -6.911 4.416 2.278 1.00 0.00 N ATOM 199 CA ALA A 17 -7.372 4.230 0.908 1.00 0.00 C ATOM 200 C ALA A 17 -8.574 5.118 0.607 1.00 0.00 C ATOM 201 O ALA A 17 -9.687 4.847 1.058 1.00 0.00 O ATOM 202 CB ALA A 17 -7.719 2.769 0.661 1.00 0.00 C ATOM 0 H ALA A 17 -7.657 4.559 2.958 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.563 4.519 0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.062 2.645 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.835 2.152 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.509 2.462 1.347 1.00 0.00 H new ATOM 208 N SER A 18 -8.342 6.182 -0.155 1.00 0.00 N ATOM 209 CA SER A 18 -9.406 7.114 -0.512 1.00 0.00 C ATOM 210 C SER A 18 -10.066 6.708 -1.826 1.00 0.00 C ATOM 211 O SER A 18 -9.450 6.779 -2.890 1.00 0.00 O ATOM 212 CB SER A 18 -8.851 8.535 -0.624 1.00 0.00 C ATOM 213 OG SER A 18 -9.856 9.497 -0.352 1.00 0.00 O ATOM 0 H SER A 18 -7.427 6.420 -0.537 1.00 0.00 H new ATOM 0 HA SER A 18 -10.159 7.087 0.276 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.023 8.662 0.074 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.451 8.695 -1.625 1.00 0.00 H new ATOM 0 HG SER A 18 -9.476 10.397 -0.428 1.00 0.00 H new ATOM 219 N ILE A 19 -11.322 6.282 -1.744 1.00 0.00 N ATOM 220 CA ILE A 19 -12.066 5.865 -2.926 1.00 0.00 C ATOM 221 C ILE A 19 -12.365 7.053 -3.834 1.00 0.00 C ATOM 222 O ILE A 19 -13.368 7.745 -3.660 1.00 0.00 O ATOM 223 CB ILE A 19 -13.391 5.180 -2.544 1.00 0.00 C ATOM 224 CG1 ILE A 19 -13.150 4.120 -1.467 1.00 0.00 C ATOM 225 CG2 ILE A 19 -14.039 4.557 -3.772 1.00 0.00 C ATOM 226 CD1 ILE A 19 -12.091 3.107 -1.842 1.00 0.00 C ATOM 0 H ILE A 19 -11.846 6.217 -0.871 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.438 5.152 -3.459 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.069 5.933 -2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.856 4.615 -0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -14.086 3.598 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.975 4.077 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.241 5.333 -4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.366 3.814 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.973 2.387 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.392 2.585 -2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.144 3.618 -2.014 1.00 0.00 H new ATOM 238 N LEU A 20 -11.488 7.283 -4.805 1.00 0.00 N ATOM 239 CA LEU A 20 -11.658 8.387 -5.744 1.00 0.00 C ATOM 240 C LEU A 20 -12.617 8.004 -6.867 1.00 0.00 C ATOM 241 O LEU A 20 -13.471 8.796 -7.265 1.00 0.00 O ATOM 242 CB LEU A 20 -10.306 8.797 -6.330 1.00 0.00 C ATOM 243 CG LEU A 20 -9.177 9.019 -5.322 1.00 0.00 C ATOM 244 CD1 LEU A 20 -7.849 9.204 -6.041 1.00 0.00 C ATOM 245 CD2 LEU A 20 -9.480 10.219 -4.438 1.00 0.00 C ATOM 0 H LEU A 20 -10.652 6.720 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.083 9.231 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.990 8.028 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.443 9.716 -6.900 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.103 8.136 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.057 9.361 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.627 8.314 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.910 10.070 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.666 10.362 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.582 11.110 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.409 10.046 -3.896 1.00 0.00 H new ATOM 257 N SER A 21 -12.470 6.783 -7.372 1.00 0.00 N ATOM 258 CA SER A 21 -13.322 6.295 -8.451 1.00 0.00 C ATOM 259 C SER A 21 -13.525 4.787 -8.343 1.00 0.00 C ATOM 260 O SER A 21 -12.898 4.122 -7.517 1.00 0.00 O ATOM 261 CB SER A 21 -12.711 6.643 -9.809 1.00 0.00 C ATOM 262 OG SER A 21 -12.285 7.994 -9.846 1.00 0.00 O ATOM 0 H SER A 21 -11.770 6.114 -7.052 1.00 0.00 H new ATOM 0 HA SER A 21 -14.293 6.782 -8.362 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.865 5.986 -10.009 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.444 6.468 -10.597 1.00 0.00 H new ATOM 0 HG SER A 21 -11.897 8.191 -10.724 1.00 0.00 H new ATOM 268 N HIS A 22 -14.405 4.253 -9.184 1.00 0.00 N ATOM 269 CA HIS A 22 -14.690 2.822 -9.184 1.00 0.00 C ATOM 270 C HIS A 22 -13.414 2.013 -9.396 1.00 0.00 C ATOM 271 O HIS A 22 -13.303 0.879 -8.932 1.00 0.00 O ATOM 272 CB HIS A 22 -15.709 2.485 -10.274 1.00 0.00 C ATOM 273 CG HIS A 22 -15.197 2.711 -11.663 1.00 0.00 C ATOM 274 ND1 HIS A 22 -14.652 1.852 -12.556 1.00 0.00 N flip ATOM 275 CD2 HIS A 22 -15.211 3.945 -12.279 1.00 0.00 C flip ATOM 276 CE1 HIS A 22 -14.351 2.575 -13.685 1.00 0.00 C flip ATOM 277 NE2 HIS A 22 -14.699 3.835 -13.492 1.00 0.00 N flip ATOM 0 H HIS A 22 -14.933 4.789 -9.873 1.00 0.00 H new ATOM 0 HA HIS A 22 -15.107 2.559 -8.212 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -16.007 1.442 -10.171 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.604 3.089 -10.123 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -15.582 4.858 -11.839 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.903 2.178 -14.584 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -14.591 4.594 -14.165 1.00 0.00 H new ATOM 286 N ASP A 23 -12.455 2.604 -10.100 1.00 0.00 N ATOM 287 CA ASP A 23 -11.187 1.939 -10.373 1.00 0.00 C ATOM 288 C ASP A 23 -10.011 2.838 -10.006 1.00 0.00 C ATOM 289 O ASP A 23 -8.931 2.737 -10.589 1.00 0.00 O ATOM 290 CB ASP A 23 -11.101 1.543 -11.848 1.00 0.00 C ATOM 291 CG ASP A 23 -10.685 2.701 -12.734 1.00 0.00 C ATOM 292 OD1 ASP A 23 -11.166 3.829 -12.501 1.00 0.00 O ATOM 293 OD2 ASP A 23 -9.878 2.478 -13.662 1.00 0.00 O ATOM 0 H ASP A 23 -12.532 3.543 -10.492 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.138 1.039 -9.760 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.387 0.727 -11.961 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.069 1.167 -12.177 1.00 0.00 H new ATOM 298 N THR A 24 -10.228 3.721 -9.035 1.00 0.00 N ATOM 299 CA THR A 24 -9.188 4.640 -8.591 1.00 0.00 C ATOM 300 C THR A 24 -9.145 4.729 -7.070 1.00 0.00 C ATOM 301 O THR A 24 -10.166 4.969 -6.424 1.00 0.00 O ATOM 302 CB THR A 24 -9.400 6.051 -9.171 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.520 5.982 -10.596 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.246 6.969 -8.797 1.00 0.00 C ATOM 0 H THR A 24 -11.115 3.818 -8.541 1.00 0.00 H new ATOM 0 HA THR A 24 -8.240 4.244 -8.956 1.00 0.00 H new ATOM 0 HB THR A 24 -10.319 6.459 -8.749 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.656 6.883 -10.957 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.418 7.960 -9.218 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.177 7.043 -7.712 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.315 6.563 -9.193 1.00 0.00 H new ATOM 312 N ILE A 25 -7.959 4.535 -6.504 1.00 0.00 N ATOM 313 CA ILE A 25 -7.784 4.596 -5.058 1.00 0.00 C ATOM 314 C ILE A 25 -6.465 5.268 -4.691 1.00 0.00 C ATOM 315 O ILE A 25 -5.434 5.016 -5.314 1.00 0.00 O ATOM 316 CB ILE A 25 -7.824 3.192 -4.427 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.171 2.522 -4.705 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.568 3.277 -2.929 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.305 1.151 -4.081 1.00 0.00 C ATOM 0 H ILE A 25 -7.105 4.334 -7.024 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.612 5.187 -4.665 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.038 2.585 -4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.970 3.162 -4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.309 2.437 -5.783 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.599 2.277 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.587 3.718 -2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.334 3.897 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.285 0.737 -4.320 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.528 0.495 -4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.199 1.232 -2.999 1.00 0.00 H new ATOM 331 N ARG A 26 -6.506 6.124 -3.675 1.00 0.00 N ATOM 332 CA ARG A 26 -5.315 6.833 -3.225 1.00 0.00 C ATOM 333 C ARG A 26 -4.792 6.242 -1.918 1.00 0.00 C ATOM 334 O ARG A 26 -5.546 6.063 -0.962 1.00 0.00 O ATOM 335 CB ARG A 26 -5.620 8.320 -3.038 1.00 0.00 C ATOM 336 CG ARG A 26 -4.401 9.216 -3.189 1.00 0.00 C ATOM 337 CD ARG A 26 -4.720 10.657 -2.825 1.00 0.00 C ATOM 338 NE ARG A 26 -3.549 11.522 -2.937 1.00 0.00 N ATOM 339 CZ ARG A 26 -3.012 11.885 -4.097 1.00 0.00 C ATOM 340 NH1 ARG A 26 -3.538 11.459 -5.237 1.00 0.00 N ATOM 341 NH2 ARG A 26 -1.946 12.675 -4.118 1.00 0.00 N ATOM 0 H ARG A 26 -7.351 6.343 -3.148 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.546 6.720 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.374 8.622 -3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.052 8.472 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.597 8.848 -2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.040 9.171 -4.216 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.509 11.029 -3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.104 10.697 -1.806 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.120 11.866 -2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.357 10.851 -5.225 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.124 11.739 -6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.538 13.004 -3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.535 12.953 -5.009 1.00 0.00 H new ATOM 355 N ILE A 27 -3.498 5.942 -1.887 1.00 0.00 N ATOM 356 CA ILE A 27 -2.876 5.372 -0.698 1.00 0.00 C ATOM 357 C ILE A 27 -1.801 6.300 -0.142 1.00 0.00 C ATOM 358 O ILE A 27 -0.725 6.443 -0.725 1.00 0.00 O ATOM 359 CB ILE A 27 -2.247 3.997 -0.996 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.244 3.108 -1.742 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.796 3.331 0.295 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.372 2.602 -0.870 1.00 0.00 C ATOM 0 H ILE A 27 -2.861 6.084 -2.670 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.666 5.249 0.043 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.373 4.142 -1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.664 3.669 -2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.713 2.256 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.354 2.361 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.056 3.960 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.654 3.194 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.040 1.979 -1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.962 2.014 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.928 3.448 -0.467 1.00 0.00 H new ATOM 374 N THR A 28 -2.098 6.928 0.991 1.00 0.00 N ATOM 375 CA THR A 28 -1.158 7.842 1.627 1.00 0.00 C ATOM 376 C THR A 28 -0.745 7.336 3.004 1.00 0.00 C ATOM 377 O THR A 28 -1.592 6.987 3.827 1.00 0.00 O ATOM 378 CB THR A 28 -1.756 9.255 1.770 1.00 0.00 C ATOM 379 OG1 THR A 28 -3.007 9.189 2.463 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.959 9.896 0.405 1.00 0.00 C ATOM 0 H THR A 28 -2.983 6.820 1.487 1.00 0.00 H new ATOM 0 HA THR A 28 -0.280 7.891 0.982 1.00 0.00 H new ATOM 0 HB THR A 28 -1.057 9.866 2.341 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.380 10.091 2.551 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.382 10.893 0.530 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.000 9.971 -0.108 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.640 9.284 -0.186 1.00 0.00 H new ATOM 388 N TRP A 29 0.559 7.299 3.249 1.00 0.00 N ATOM 389 CA TRP A 29 1.084 6.835 4.529 1.00 0.00 C ATOM 390 C TRP A 29 2.153 7.785 5.056 1.00 0.00 C ATOM 391 O TRP A 29 2.549 8.729 4.372 1.00 0.00 O ATOM 392 CB TRP A 29 1.661 5.426 4.386 1.00 0.00 C ATOM 393 CG TRP A 29 2.792 5.344 3.406 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.114 5.571 3.659 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.698 5.013 2.016 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.849 5.401 2.510 1.00 0.00 N ATOM 397 CE2 TRP A 29 4.004 5.058 1.489 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.639 4.681 1.167 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.275 4.784 0.151 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.911 4.410 -0.161 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.220 4.462 -0.659 1.00 0.00 C ATOM 0 H TRP A 29 1.273 7.584 2.579 1.00 0.00 H new ATOM 0 HA TRP A 29 0.262 6.812 5.244 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.008 5.083 5.360 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.868 4.747 4.073 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.522 5.844 4.621 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.860 5.512 2.431 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.627 4.637 1.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.283 4.824 -0.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.100 4.154 -0.827 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.399 4.244 -1.701 1.00 0.00 H new ATOM 412 N ALA A 30 2.617 7.530 6.274 1.00 0.00 N ATOM 413 CA ALA A 30 3.643 8.362 6.891 1.00 0.00 C ATOM 414 C ALA A 30 4.866 7.535 7.271 1.00 0.00 C ATOM 415 O ALA A 30 4.743 6.382 7.686 1.00 0.00 O ATOM 416 CB ALA A 30 3.082 9.071 8.115 1.00 0.00 C ATOM 0 H ALA A 30 2.299 6.754 6.854 1.00 0.00 H new ATOM 0 HA ALA A 30 3.955 9.110 6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.859 9.689 8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.244 9.701 7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.741 8.331 8.839 1.00 0.00 H new ATOM 422 N ASP A 31 6.045 8.129 7.126 1.00 0.00 N ATOM 423 CA ASP A 31 7.291 7.447 7.454 1.00 0.00 C ATOM 424 C ASP A 31 7.975 8.108 8.647 1.00 0.00 C ATOM 425 O ASP A 31 8.940 8.854 8.486 1.00 0.00 O ATOM 426 CB ASP A 31 8.231 7.446 6.247 1.00 0.00 C ATOM 427 CG ASP A 31 8.365 8.819 5.618 1.00 0.00 C ATOM 428 OD1 ASP A 31 8.360 9.818 6.366 1.00 0.00 O ATOM 429 OD2 ASP A 31 8.476 8.893 4.376 1.00 0.00 O ATOM 0 H ASP A 31 6.164 9.082 6.783 1.00 0.00 H new ATOM 0 HA ASP A 31 7.053 6.417 7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.215 7.093 6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.860 6.742 5.502 1.00 0.00 H new ATOM 434 N ASN A 32 7.467 7.829 9.843 1.00 0.00 N ATOM 435 CA ASN A 32 8.028 8.399 11.063 1.00 0.00 C ATOM 436 C ASN A 32 9.551 8.442 10.993 1.00 0.00 C ATOM 437 O ASN A 32 10.176 9.403 11.441 1.00 0.00 O ATOM 438 CB ASN A 32 7.585 7.585 12.281 1.00 0.00 C ATOM 439 CG ASN A 32 7.667 6.090 12.038 1.00 0.00 C ATOM 440 OD1 ASN A 32 8.636 5.438 12.427 1.00 0.00 O ATOM 441 ND2 ASN A 32 6.646 5.539 11.390 1.00 0.00 N ATOM 0 H ASN A 32 6.669 7.212 9.994 1.00 0.00 H new ATOM 0 HA ASN A 32 7.658 9.419 11.162 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.209 7.846 13.136 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.561 7.853 12.540 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.645 4.537 11.197 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.863 6.118 11.086 1.00 0.00 H new ATOM 448 N SER A 33 10.142 7.395 10.427 1.00 0.00 N ATOM 449 CA SER A 33 11.593 7.311 10.300 1.00 0.00 C ATOM 450 C SER A 33 12.194 8.687 10.028 1.00 0.00 C ATOM 451 O SER A 33 13.233 9.045 10.585 1.00 0.00 O ATOM 452 CB SER A 33 11.973 6.344 9.177 1.00 0.00 C ATOM 453 OG SER A 33 13.378 6.178 9.102 1.00 0.00 O ATOM 0 H SER A 33 9.639 6.593 10.049 1.00 0.00 H new ATOM 0 HA SER A 33 11.995 6.938 11.242 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.498 5.378 9.348 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.597 6.720 8.226 1.00 0.00 H new ATOM 0 HG SER A 33 13.596 5.554 8.378 1.00 0.00 H new ATOM 459 N LEU A 34 11.535 9.454 9.167 1.00 0.00 N ATOM 460 CA LEU A 34 12.003 10.791 8.819 1.00 0.00 C ATOM 461 C LEU A 34 11.874 11.739 10.007 1.00 0.00 C ATOM 462 O LEU A 34 10.931 11.662 10.795 1.00 0.00 O ATOM 463 CB LEU A 34 11.211 11.336 7.629 1.00 0.00 C ATOM 464 CG LEU A 34 11.313 10.535 6.331 1.00 0.00 C ATOM 465 CD1 LEU A 34 10.450 11.161 5.247 1.00 0.00 C ATOM 466 CD2 LEU A 34 12.762 10.442 5.874 1.00 0.00 C ATOM 0 H LEU A 34 10.675 9.173 8.697 1.00 0.00 H new ATOM 0 HA LEU A 34 13.056 10.721 8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.161 11.395 7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.546 12.354 7.431 1.00 0.00 H new ATOM 0 HG LEU A 34 10.947 9.526 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.536 10.577 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.410 11.175 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.785 12.181 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.816 9.868 4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.155 11.444 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.355 9.947 6.643 1.00 0.00 H new ATOM 478 N PRO A 35 12.844 12.657 10.140 1.00 0.00 N ATOM 479 CA PRO A 35 12.860 13.639 11.228 1.00 0.00 C ATOM 480 C PRO A 35 11.757 14.682 11.083 1.00 0.00 C ATOM 481 O PRO A 35 10.817 14.504 10.309 1.00 0.00 O ATOM 482 CB PRO A 35 14.237 14.294 11.093 1.00 0.00 C ATOM 483 CG PRO A 35 14.603 14.116 9.660 1.00 0.00 C ATOM 484 CD PRO A 35 13.998 12.806 9.238 1.00 0.00 C ATOM 0 HA PRO A 35 12.687 13.175 12.199 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.202 15.349 11.364 1.00 0.00 H new ATOM 0 HB3 PRO A 35 14.967 13.820 11.750 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.219 14.937 9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.685 14.105 9.532 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.691 12.823 8.192 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.704 11.983 9.349 1.00 0.00 H new ATOM 492 N LYS A 36 11.879 15.773 11.833 1.00 0.00 N ATOM 493 CA LYS A 36 10.893 16.847 11.787 1.00 0.00 C ATOM 494 C LYS A 36 10.362 17.038 10.370 1.00 0.00 C ATOM 495 O LYS A 36 9.154 17.153 10.160 1.00 0.00 O ATOM 496 CB LYS A 36 11.509 18.153 12.293 1.00 0.00 C ATOM 497 CG LYS A 36 10.487 19.140 12.829 1.00 0.00 C ATOM 498 CD LYS A 36 10.008 18.747 14.217 1.00 0.00 C ATOM 499 CE LYS A 36 9.140 19.833 14.835 1.00 0.00 C ATOM 500 NZ LYS A 36 7.737 19.771 14.338 1.00 0.00 N ATOM 0 H LYS A 36 12.651 15.936 12.480 1.00 0.00 H new ATOM 0 HA LYS A 36 10.060 16.570 12.433 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.228 17.925 13.079 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.063 18.622 11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.926 20.137 12.863 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.636 19.189 12.150 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.442 17.817 14.158 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.868 18.557 14.860 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.146 19.729 15.920 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.564 20.811 14.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.178 20.527 14.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.729 19.895 13.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.324 18.847 14.579 1.00 0.00 H new ATOM 514 N HIS A 37 11.271 17.069 9.401 1.00 0.00 N ATOM 515 CA HIS A 37 10.892 17.243 8.003 1.00 0.00 C ATOM 516 C HIS A 37 10.599 15.897 7.348 1.00 0.00 C ATOM 517 O HIS A 37 11.256 14.899 7.640 1.00 0.00 O ATOM 518 CB HIS A 37 12.002 17.965 7.239 1.00 0.00 C ATOM 519 CG HIS A 37 13.329 17.275 7.316 1.00 0.00 C ATOM 520 ND1 HIS A 37 13.729 16.311 6.415 1.00 0.00 N ATOM 521 CD2 HIS A 37 14.351 17.415 8.192 1.00 0.00 C ATOM 522 CE1 HIS A 37 14.938 15.886 6.735 1.00 0.00 C ATOM 523 NE2 HIS A 37 15.339 16.541 7.810 1.00 0.00 N ATOM 0 H HIS A 37 12.275 16.976 9.558 1.00 0.00 H new ATOM 0 HA HIS A 37 9.986 17.848 7.970 1.00 0.00 H new ATOM 0 HB2 HIS A 37 11.710 18.058 6.193 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.104 18.976 7.633 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.384 18.089 9.035 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.503 15.131 6.208 1.00 0.00 H new ATOM 0 HE2 HIS A 37 16.236 16.418 8.280 1.00 0.00 H new ATOM 532 N GLN A 38 9.609 15.880 6.461 1.00 0.00 N ATOM 533 CA GLN A 38 9.229 14.656 5.766 1.00 0.00 C ATOM 534 C GLN A 38 9.808 14.628 4.355 1.00 0.00 C ATOM 535 O GLN A 38 9.071 14.646 3.369 1.00 0.00 O ATOM 536 CB GLN A 38 7.705 14.530 5.707 1.00 0.00 C ATOM 537 CG GLN A 38 7.044 14.495 7.075 1.00 0.00 C ATOM 538 CD GLN A 38 6.968 13.095 7.652 1.00 0.00 C ATOM 539 OE1 GLN A 38 6.307 12.218 7.095 1.00 0.00 O ATOM 540 NE2 GLN A 38 7.646 12.878 8.773 1.00 0.00 N ATOM 0 H GLN A 38 9.056 16.699 6.207 1.00 0.00 H new ATOM 0 HA GLN A 38 9.636 13.811 6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.301 15.368 5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.445 13.622 5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.600 15.136 7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.038 14.907 6.999 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.181 13.634 9.200 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.632 11.955 9.207 1.00 0.00 H new ATOM 549 N LYS A 39 11.133 14.586 4.266 1.00 0.00 N ATOM 550 CA LYS A 39 11.813 14.556 2.977 1.00 0.00 C ATOM 551 C LYS A 39 12.652 13.290 2.834 1.00 0.00 C ATOM 552 O LYS A 39 13.618 13.089 3.570 1.00 0.00 O ATOM 553 CB LYS A 39 12.702 15.791 2.816 1.00 0.00 C ATOM 554 CG LYS A 39 13.293 15.939 1.425 1.00 0.00 C ATOM 555 CD LYS A 39 13.972 17.286 1.248 1.00 0.00 C ATOM 556 CE LYS A 39 12.955 18.409 1.105 1.00 0.00 C ATOM 557 NZ LYS A 39 13.612 19.735 0.944 1.00 0.00 N ATOM 0 H LYS A 39 11.758 14.572 5.072 1.00 0.00 H new ATOM 0 HA LYS A 39 11.054 14.559 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.118 16.681 3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.513 15.742 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.014 15.141 1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.505 15.827 0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.617 17.485 2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.612 17.259 0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.316 18.213 0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.309 18.428 1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.886 20.473 0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.202 19.934 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.209 19.726 0.092 1.00 0.00 H new ATOM 571 N ILE A 40 12.278 12.442 1.882 1.00 0.00 N ATOM 572 CA ILE A 40 12.999 11.198 1.642 1.00 0.00 C ATOM 573 C ILE A 40 14.383 11.467 1.062 1.00 0.00 C ATOM 574 O ILE A 40 14.589 11.385 -0.149 1.00 0.00 O ATOM 575 CB ILE A 40 12.224 10.275 0.683 1.00 0.00 C ATOM 576 CG1 ILE A 40 10.841 9.954 1.254 1.00 0.00 C ATOM 577 CG2 ILE A 40 13.008 8.995 0.430 1.00 0.00 C ATOM 578 CD1 ILE A 40 10.028 9.023 0.383 1.00 0.00 C ATOM 0 H ILE A 40 11.480 12.593 1.265 1.00 0.00 H new ATOM 0 HA ILE A 40 13.103 10.702 2.607 1.00 0.00 H new ATOM 0 HB ILE A 40 12.093 10.792 -0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.960 9.505 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.289 10.884 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.447 8.353 -0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.972 9.241 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.167 8.473 1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.060 8.840 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.878 9.479 -0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.559 8.078 0.266 1.00 0.00 H new ATOM 590 N THR A 41 15.332 11.789 1.936 1.00 0.00 N ATOM 591 CA THR A 41 16.698 12.070 1.512 1.00 0.00 C ATOM 592 C THR A 41 17.564 10.818 1.582 1.00 0.00 C ATOM 593 O THR A 41 18.682 10.853 2.097 1.00 0.00 O ATOM 594 CB THR A 41 17.339 13.173 2.375 1.00 0.00 C ATOM 595 OG1 THR A 41 17.205 12.848 3.763 1.00 0.00 O ATOM 596 CG2 THR A 41 16.690 14.521 2.100 1.00 0.00 C ATOM 0 H THR A 41 15.179 11.862 2.942 1.00 0.00 H new ATOM 0 HA THR A 41 16.644 12.413 0.479 1.00 0.00 H new ATOM 0 HB THR A 41 18.396 13.237 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 41 17.616 13.553 4.305 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.159 15.284 2.721 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.819 14.779 1.049 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.627 14.467 2.333 1.00 0.00 H new ATOM 604 N ASP A 42 17.042 9.713 1.061 1.00 0.00 N ATOM 605 CA ASP A 42 17.770 8.449 1.063 1.00 0.00 C ATOM 606 C ASP A 42 17.559 7.699 -0.248 1.00 0.00 C ATOM 607 O ASP A 42 16.802 8.140 -1.113 1.00 0.00 O ATOM 608 CB ASP A 42 17.321 7.580 2.240 1.00 0.00 C ATOM 609 CG ASP A 42 18.299 6.461 2.538 1.00 0.00 C ATOM 610 OD1 ASP A 42 19.310 6.724 3.223 1.00 0.00 O ATOM 611 OD2 ASP A 42 18.054 5.322 2.087 1.00 0.00 O ATOM 0 H ASP A 42 16.118 9.667 0.632 1.00 0.00 H new ATOM 0 HA ASP A 42 18.832 8.669 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 42 17.206 8.204 3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.342 7.154 2.021 1.00 0.00 H new ATOM 616 N SER A 43 18.236 6.563 -0.389 1.00 0.00 N ATOM 617 CA SER A 43 18.127 5.754 -1.598 1.00 0.00 C ATOM 618 C SER A 43 17.246 4.531 -1.355 1.00 0.00 C ATOM 619 O SER A 43 17.516 3.447 -1.871 1.00 0.00 O ATOM 620 CB SER A 43 19.514 5.312 -2.068 1.00 0.00 C ATOM 621 OG SER A 43 20.111 6.299 -2.891 1.00 0.00 O ATOM 0 H SER A 43 18.865 6.183 0.318 1.00 0.00 H new ATOM 0 HA SER A 43 17.666 6.365 -2.374 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.150 5.121 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.434 4.375 -2.619 1.00 0.00 H new ATOM 0 HG SER A 43 20.997 5.994 -3.177 1.00 0.00 H new ATOM 627 N ARG A 44 16.193 4.716 -0.566 1.00 0.00 N ATOM 628 CA ARG A 44 15.273 3.629 -0.253 1.00 0.00 C ATOM 629 C ARG A 44 14.110 3.600 -1.240 1.00 0.00 C ATOM 630 O ARG A 44 13.842 4.585 -1.929 1.00 0.00 O ATOM 631 CB ARG A 44 14.743 3.776 1.174 1.00 0.00 C ATOM 632 CG ARG A 44 14.090 5.121 1.445 1.00 0.00 C ATOM 633 CD ARG A 44 13.009 5.012 2.509 1.00 0.00 C ATOM 634 NE ARG A 44 12.723 6.301 3.134 1.00 0.00 N ATOM 635 CZ ARG A 44 12.154 6.429 4.327 1.00 0.00 C ATOM 636 NH1 ARG A 44 11.812 5.353 5.021 1.00 0.00 N ATOM 637 NH2 ARG A 44 11.926 7.636 4.828 1.00 0.00 N ATOM 0 H ARG A 44 15.956 5.608 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 44 15.819 2.689 -0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.019 2.985 1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.566 3.633 1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.847 5.836 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.657 5.508 0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.098 4.617 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.323 4.301 3.273 1.00 0.00 H new ATOM 0 HE ARG A 44 12.974 7.149 2.626 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.986 4.423 4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.375 5.455 5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.188 8.466 4.297 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.489 7.734 5.744 1.00 0.00 H new ATOM 651 N TYR A 45 13.422 2.465 -1.303 1.00 0.00 N ATOM 652 CA TYR A 45 12.289 2.308 -2.207 1.00 0.00 C ATOM 653 C TYR A 45 11.120 1.626 -1.502 1.00 0.00 C ATOM 654 O TYR A 45 11.306 0.664 -0.756 1.00 0.00 O ATOM 655 CB TYR A 45 12.701 1.497 -3.437 1.00 0.00 C ATOM 656 CG TYR A 45 12.590 0.002 -3.241 1.00 0.00 C ATOM 657 CD1 TYR A 45 13.612 -0.716 -2.632 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.465 -0.694 -3.667 1.00 0.00 C ATOM 659 CE1 TYR A 45 13.516 -2.083 -2.451 1.00 0.00 C ATOM 660 CE2 TYR A 45 11.360 -2.059 -3.489 1.00 0.00 C ATOM 661 CZ TYR A 45 12.388 -2.749 -2.881 1.00 0.00 C ATOM 662 OH TYR A 45 12.287 -4.110 -2.704 1.00 0.00 O ATOM 0 H TYR A 45 13.629 1.641 -0.739 1.00 0.00 H new ATOM 0 HA TYR A 45 11.969 3.300 -2.524 1.00 0.00 H new ATOM 0 HB2 TYR A 45 12.078 1.792 -4.281 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.730 1.745 -3.698 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.497 -0.197 -2.294 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.659 -0.158 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.320 -2.626 -1.976 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.478 -2.584 -3.824 1.00 0.00 H new ATOM 0 HH TYR A 45 11.430 -4.424 -3.061 1.00 0.00 H new ATOM 672 N TYR A 46 9.916 2.131 -1.744 1.00 0.00 N ATOM 673 CA TYR A 46 8.716 1.573 -1.132 1.00 0.00 C ATOM 674 C TYR A 46 8.073 0.532 -2.044 1.00 0.00 C ATOM 675 O TYR A 46 8.299 0.524 -3.255 1.00 0.00 O ATOM 676 CB TYR A 46 7.713 2.684 -0.821 1.00 0.00 C ATOM 677 CG TYR A 46 8.039 3.461 0.434 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.838 2.903 1.691 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.546 4.752 0.365 1.00 0.00 C ATOM 680 CE1 TYR A 46 8.134 3.608 2.841 1.00 0.00 C ATOM 681 CE2 TYR A 46 8.846 5.464 1.510 1.00 0.00 C ATOM 682 CZ TYR A 46 8.638 4.888 2.745 1.00 0.00 C ATOM 683 OH TYR A 46 8.934 5.595 3.888 1.00 0.00 O ATOM 0 H TYR A 46 9.745 2.926 -2.360 1.00 0.00 H new ATOM 0 HA TYR A 46 9.007 1.085 -0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.674 3.373 -1.665 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.720 2.247 -0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.443 1.901 1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.709 5.207 -0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.972 3.159 3.810 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.241 6.466 1.438 1.00 0.00 H new ATOM 0 HH TYR A 46 9.281 6.479 3.645 1.00 0.00 H new ATOM 693 N THR A 47 7.268 -0.346 -1.454 1.00 0.00 N ATOM 694 CA THR A 47 6.591 -1.392 -2.210 1.00 0.00 C ATOM 695 C THR A 47 5.127 -1.505 -1.803 1.00 0.00 C ATOM 696 O THR A 47 4.813 -1.901 -0.681 1.00 0.00 O ATOM 697 CB THR A 47 7.274 -2.759 -2.014 1.00 0.00 C ATOM 698 OG1 THR A 47 8.678 -2.647 -2.273 1.00 0.00 O ATOM 699 CG2 THR A 47 6.665 -3.805 -2.934 1.00 0.00 C ATOM 0 H THR A 47 7.069 -0.353 -0.454 1.00 0.00 H new ATOM 0 HA THR A 47 6.652 -1.111 -3.261 1.00 0.00 H new ATOM 0 HB THR A 47 7.120 -3.073 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.825 -2.029 -3.019 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.163 -4.762 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.603 -3.909 -2.714 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.792 -3.495 -3.971 1.00 0.00 H new ATOM 707 N VAL A 48 4.233 -1.155 -2.723 1.00 0.00 N ATOM 708 CA VAL A 48 2.800 -1.220 -2.460 1.00 0.00 C ATOM 709 C VAL A 48 2.201 -2.516 -2.993 1.00 0.00 C ATOM 710 O VAL A 48 2.289 -2.808 -4.186 1.00 0.00 O ATOM 711 CB VAL A 48 2.060 -0.027 -3.093 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.574 -0.089 -2.772 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.662 1.287 -2.618 1.00 0.00 C ATOM 0 H VAL A 48 4.476 -0.824 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 48 2.675 -1.184 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 48 2.176 -0.083 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.068 0.762 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.155 -1.015 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.434 -0.059 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.127 2.119 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.579 1.354 -1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.713 1.330 -2.904 1.00 0.00 H new ATOM 723 N ARG A 49 1.592 -3.291 -2.102 1.00 0.00 N ATOM 724 CA ARG A 49 0.979 -4.557 -2.482 1.00 0.00 C ATOM 725 C ARG A 49 -0.540 -4.483 -2.363 1.00 0.00 C ATOM 726 O ARG A 49 -1.071 -3.858 -1.445 1.00 0.00 O ATOM 727 CB ARG A 49 1.515 -5.692 -1.607 1.00 0.00 C ATOM 728 CG ARG A 49 0.947 -5.693 -0.197 1.00 0.00 C ATOM 729 CD ARG A 49 1.262 -6.992 0.529 1.00 0.00 C ATOM 730 NE ARG A 49 0.663 -7.034 1.860 1.00 0.00 N ATOM 731 CZ ARG A 49 0.448 -8.159 2.534 1.00 0.00 C ATOM 732 NH1 ARG A 49 0.781 -9.327 2.004 1.00 0.00 N ATOM 733 NH2 ARG A 49 -0.102 -8.115 3.741 1.00 0.00 N ATOM 0 H ARG A 49 1.510 -3.064 -1.111 1.00 0.00 H new ATOM 0 HA ARG A 49 1.236 -4.758 -3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.286 -6.646 -2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.601 -5.616 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.358 -4.853 0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.133 -5.550 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.897 -7.834 -0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.343 -7.107 0.614 1.00 0.00 H new ATOM 0 HE ARG A 49 0.395 -6.152 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.204 -9.364 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.615 -10.189 2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.360 -7.218 4.152 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.267 -8.979 4.258 1.00 0.00 H new ATOM 747 N TRP A 50 -1.234 -5.124 -3.297 1.00 0.00 N ATOM 748 CA TRP A 50 -2.692 -5.131 -3.296 1.00 0.00 C ATOM 749 C TRP A 50 -3.231 -6.440 -3.862 1.00 0.00 C ATOM 750 O TRP A 50 -2.581 -7.088 -4.683 1.00 0.00 O ATOM 751 CB TRP A 50 -3.228 -3.950 -4.109 1.00 0.00 C ATOM 752 CG TRP A 50 -2.902 -4.038 -5.569 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.715 -4.499 -6.565 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.673 -3.656 -6.197 1.00 0.00 C ATOM 755 NE1 TRP A 50 -3.066 -4.426 -7.774 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.812 -3.912 -7.575 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.469 -3.121 -5.730 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.793 -3.652 -8.487 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.542 -2.864 -6.636 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.375 -3.129 -8.002 1.00 0.00 C ATOM 0 H TRP A 50 -0.810 -5.645 -4.064 1.00 0.00 H new ATOM 0 HA TRP A 50 -3.031 -5.037 -2.264 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.310 -3.896 -3.988 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.816 -3.024 -3.707 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.720 -4.867 -6.423 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.455 -4.709 -8.674 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.331 -2.912 -4.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.920 -3.856 -9.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.477 -2.452 -6.286 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.184 -2.916 -8.685 1.00 0.00 H new ATOM 771 N LYS A 51 -4.424 -6.824 -3.420 1.00 0.00 N ATOM 772 CA LYS A 51 -5.052 -8.056 -3.884 1.00 0.00 C ATOM 773 C LYS A 51 -6.572 -7.944 -3.831 1.00 0.00 C ATOM 774 O LYS A 51 -7.116 -6.940 -3.370 1.00 0.00 O ATOM 775 CB LYS A 51 -4.587 -9.240 -3.034 1.00 0.00 C ATOM 776 CG LYS A 51 -5.008 -9.147 -1.577 1.00 0.00 C ATOM 777 CD LYS A 51 -5.151 -10.523 -0.949 1.00 0.00 C ATOM 778 CE LYS A 51 -5.853 -10.450 0.398 1.00 0.00 C ATOM 779 NZ LYS A 51 -6.548 -11.724 0.731 1.00 0.00 N ATOM 0 H LYS A 51 -4.976 -6.300 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.753 -8.220 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.985 -10.161 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.500 -9.309 -3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.272 -8.567 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.955 -8.613 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.713 -11.173 -1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.165 -10.971 -0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.124 -10.220 1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.576 -9.634 0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.014 -11.634 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.261 -11.931 0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.855 -12.499 0.767 1.00 0.00 H new ATOM 793 N THR A 52 -7.254 -8.983 -4.304 1.00 0.00 N ATOM 794 CA THR A 52 -8.711 -9.002 -4.311 1.00 0.00 C ATOM 795 C THR A 52 -9.254 -9.901 -3.206 1.00 0.00 C ATOM 796 O THR A 52 -8.667 -10.934 -2.889 1.00 0.00 O ATOM 797 CB THR A 52 -9.261 -9.484 -5.666 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.587 -10.682 -6.069 1.00 0.00 O ATOM 799 CG2 THR A 52 -9.086 -8.414 -6.733 1.00 0.00 C ATOM 0 H THR A 52 -6.820 -9.823 -4.687 1.00 0.00 H new ATOM 0 HA THR A 52 -9.041 -7.978 -4.138 1.00 0.00 H new ATOM 0 HB THR A 52 -10.326 -9.687 -5.550 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.238 -11.409 -6.161 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.482 -8.778 -7.681 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.624 -7.513 -6.437 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.027 -8.183 -6.847 1.00 0.00 H new ATOM 807 N ASN A 53 -10.379 -9.500 -2.623 1.00 0.00 N ATOM 808 CA ASN A 53 -11.002 -10.270 -1.552 1.00 0.00 C ATOM 809 C ASN A 53 -11.590 -11.572 -2.090 1.00 0.00 C ATOM 810 O ASN A 53 -11.788 -12.530 -1.342 1.00 0.00 O ATOM 811 CB ASN A 53 -12.097 -9.446 -0.872 1.00 0.00 C ATOM 812 CG ASN A 53 -12.954 -10.280 0.061 1.00 0.00 C ATOM 813 OD1 ASN A 53 -14.182 -10.245 -0.010 1.00 0.00 O ATOM 814 ND2 ASN A 53 -12.307 -11.034 0.941 1.00 0.00 N ATOM 0 H ASN A 53 -10.878 -8.646 -2.874 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.233 -10.514 -0.819 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.639 -8.632 -0.310 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.731 -8.991 -1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.830 -11.617 1.595 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.287 -11.031 0.963 1.00 0.00 H new ATOM 821 N ILE A 54 -11.866 -11.598 -3.389 1.00 0.00 N ATOM 822 CA ILE A 54 -12.428 -12.781 -4.027 1.00 0.00 C ATOM 823 C ILE A 54 -11.599 -13.202 -5.235 1.00 0.00 C ATOM 824 O ILE A 54 -11.399 -12.437 -6.178 1.00 0.00 O ATOM 825 CB ILE A 54 -13.883 -12.542 -4.474 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.794 -12.382 -3.256 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.361 -13.687 -5.354 1.00 0.00 C ATOM 828 CD1 ILE A 54 -16.176 -11.870 -3.598 1.00 0.00 C ATOM 0 H ILE A 54 -11.709 -10.813 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.411 -13.578 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.922 -11.621 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.886 -13.344 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.326 -11.696 -2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.390 -13.504 -5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.725 -13.757 -6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.310 -14.621 -4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.767 -11.781 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -16.094 -10.893 -4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -16.664 -12.567 -4.280 1.00 0.00 H new ATOM 840 N PRO A 55 -11.106 -14.449 -5.209 1.00 0.00 N ATOM 841 CA PRO A 55 -11.337 -15.369 -4.091 1.00 0.00 C ATOM 842 C PRO A 55 -10.596 -14.944 -2.828 1.00 0.00 C ATOM 843 O PRO A 55 -9.967 -13.887 -2.792 1.00 0.00 O ATOM 844 CB PRO A 55 -10.791 -16.701 -4.610 1.00 0.00 C ATOM 845 CG PRO A 55 -9.778 -16.323 -5.634 1.00 0.00 C ATOM 846 CD PRO A 55 -10.284 -15.057 -6.269 1.00 0.00 C ATOM 0 HA PRO A 55 -12.388 -15.407 -3.804 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.342 -17.285 -3.806 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.583 -17.311 -5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.801 -16.167 -5.177 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.660 -17.112 -6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.465 -14.402 -6.568 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.871 -15.263 -7.164 1.00 0.00 H new ATOM 854 N ALA A 56 -10.673 -15.776 -1.795 1.00 0.00 N ATOM 855 CA ALA A 56 -10.007 -15.487 -0.531 1.00 0.00 C ATOM 856 C ALA A 56 -8.500 -15.683 -0.647 1.00 0.00 C ATOM 857 O ALA A 56 -7.719 -14.823 -0.241 1.00 0.00 O ATOM 858 CB ALA A 56 -10.572 -16.366 0.576 1.00 0.00 C ATOM 0 H ALA A 56 -11.190 -16.655 -1.808 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.193 -14.442 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.066 -16.140 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.639 -16.174 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.416 -17.415 0.323 1.00 0.00 H new ATOM 864 N ASN A 57 -8.097 -16.821 -1.204 1.00 0.00 N ATOM 865 CA ASN A 57 -6.682 -17.130 -1.373 1.00 0.00 C ATOM 866 C ASN A 57 -6.227 -16.838 -2.799 1.00 0.00 C ATOM 867 O ASN A 57 -6.189 -17.731 -3.647 1.00 0.00 O ATOM 868 CB ASN A 57 -6.415 -18.597 -1.031 1.00 0.00 C ATOM 869 CG ASN A 57 -5.076 -19.079 -1.557 1.00 0.00 C ATOM 870 OD1 ASN A 57 -4.023 -18.589 -1.149 1.00 0.00 O ATOM 871 ND2 ASN A 57 -5.112 -20.045 -2.468 1.00 0.00 N ATOM 0 H ASN A 57 -8.730 -17.544 -1.546 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.114 -16.496 -0.693 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.445 -18.726 0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.210 -19.215 -1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.243 -20.410 -2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.008 -20.422 -2.777 1.00 0.00 H new ATOM 878 N THR A 58 -5.882 -15.580 -3.059 1.00 0.00 N ATOM 879 CA THR A 58 -5.430 -15.169 -4.382 1.00 0.00 C ATOM 880 C THR A 58 -3.996 -14.654 -4.338 1.00 0.00 C ATOM 881 O THR A 58 -3.523 -14.191 -3.300 1.00 0.00 O ATOM 882 CB THR A 58 -6.340 -14.074 -4.971 1.00 0.00 C ATOM 883 OG1 THR A 58 -5.807 -13.612 -6.217 1.00 0.00 O ATOM 884 CG2 THR A 58 -6.472 -12.905 -4.006 1.00 0.00 C ATOM 0 H THR A 58 -5.907 -14.828 -2.370 1.00 0.00 H new ATOM 0 HA THR A 58 -5.476 -16.051 -5.020 1.00 0.00 H new ATOM 0 HB THR A 58 -7.328 -14.503 -5.136 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.392 -12.918 -6.586 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.119 -12.144 -4.443 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.904 -13.254 -3.068 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.487 -12.478 -3.815 1.00 0.00 H new ATOM 892 N LYS A 59 -3.308 -14.736 -5.472 1.00 0.00 N ATOM 893 CA LYS A 59 -1.928 -14.277 -5.565 1.00 0.00 C ATOM 894 C LYS A 59 -1.804 -12.829 -5.100 1.00 0.00 C ATOM 895 O LYS A 59 -2.768 -12.065 -5.154 1.00 0.00 O ATOM 896 CB LYS A 59 -1.421 -14.407 -7.003 1.00 0.00 C ATOM 897 CG LYS A 59 -1.985 -13.357 -7.944 1.00 0.00 C ATOM 898 CD LYS A 59 -3.271 -13.831 -8.600 1.00 0.00 C ATOM 899 CE LYS A 59 -3.579 -13.037 -9.861 1.00 0.00 C ATOM 900 NZ LYS A 59 -3.802 -11.595 -9.568 1.00 0.00 N ATOM 0 H LYS A 59 -3.685 -15.117 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.318 -14.903 -4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.333 -14.337 -7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.677 -15.397 -7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.175 -12.436 -7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.248 -13.122 -8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.186 -14.889 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.097 -13.733 -7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.754 -13.141 -10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.465 -13.451 -10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.042 -11.095 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.583 -11.496 -8.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.936 -11.185 -9.162 1.00 0.00 H new ATOM 914 N TYR A 60 -0.612 -12.459 -4.645 1.00 0.00 N ATOM 915 CA TYR A 60 -0.363 -11.103 -4.171 1.00 0.00 C ATOM 916 C TYR A 60 0.383 -10.286 -5.221 1.00 0.00 C ATOM 917 O TYR A 60 1.166 -10.825 -6.004 1.00 0.00 O ATOM 918 CB TYR A 60 0.441 -11.135 -2.869 1.00 0.00 C ATOM 919 CG TYR A 60 -0.419 -11.231 -1.629 1.00 0.00 C ATOM 920 CD1 TYR A 60 -1.238 -10.176 -1.245 1.00 0.00 C ATOM 921 CD2 TYR A 60 -0.412 -12.376 -0.842 1.00 0.00 C ATOM 922 CE1 TYR A 60 -2.024 -10.259 -0.112 1.00 0.00 C ATOM 923 CE2 TYR A 60 -1.197 -12.468 0.292 1.00 0.00 C ATOM 924 CZ TYR A 60 -2.001 -11.406 0.652 1.00 0.00 C ATOM 925 OH TYR A 60 -2.783 -11.494 1.781 1.00 0.00 O ATOM 0 H TYR A 60 0.196 -13.079 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.327 -10.629 -3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.124 -11.984 -2.894 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.053 -10.235 -2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.260 -9.276 -1.842 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.217 -13.208 -1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.653 -9.429 0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.181 -13.366 0.892 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.650 -12.368 2.204 1.00 0.00 H new ATOM 935 N LYS A 61 0.135 -8.981 -5.233 1.00 0.00 N ATOM 936 CA LYS A 61 0.782 -8.086 -6.185 1.00 0.00 C ATOM 937 C LYS A 61 1.729 -7.126 -5.472 1.00 0.00 C ATOM 938 O LYS A 61 1.677 -6.980 -4.251 1.00 0.00 O ATOM 939 CB LYS A 61 -0.268 -7.296 -6.969 1.00 0.00 C ATOM 940 CG LYS A 61 -0.761 -8.010 -8.216 1.00 0.00 C ATOM 941 CD LYS A 61 -1.544 -7.074 -9.121 1.00 0.00 C ATOM 942 CE LYS A 61 -1.482 -7.524 -10.573 1.00 0.00 C ATOM 943 NZ LYS A 61 -0.301 -6.956 -11.280 1.00 0.00 N ATOM 0 H LYS A 61 -0.511 -8.519 -4.593 1.00 0.00 H new ATOM 0 HA LYS A 61 1.363 -8.693 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.118 -7.092 -6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.153 -6.332 -7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.089 -8.419 -8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.391 -8.852 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.583 -7.035 -8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.145 -6.063 -9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.441 -8.612 -10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.394 -7.220 -11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.295 -7.286 -12.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.353 -5.917 -11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.570 -7.267 -10.805 1.00 0.00 H new ATOM 957 N ASN A 62 2.592 -6.472 -6.242 1.00 0.00 N ATOM 958 CA ASN A 62 3.550 -5.525 -5.683 1.00 0.00 C ATOM 959 C ASN A 62 3.888 -4.433 -6.694 1.00 0.00 C ATOM 960 O ASN A 62 3.816 -4.649 -7.903 1.00 0.00 O ATOM 961 CB ASN A 62 4.827 -6.251 -5.255 1.00 0.00 C ATOM 962 CG ASN A 62 5.301 -7.249 -6.294 1.00 0.00 C ATOM 963 OD1 ASN A 62 6.114 -6.923 -7.158 1.00 0.00 O ATOM 964 ND2 ASN A 62 4.792 -8.473 -6.213 1.00 0.00 N ATOM 0 H ASN A 62 2.648 -6.580 -7.255 1.00 0.00 H new ATOM 0 HA ASN A 62 3.095 -5.059 -4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.614 -5.519 -5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.649 -6.769 -4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.073 -9.188 -6.884 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.120 -8.698 -5.479 1.00 0.00 H new ATOM 971 N ALA A 63 4.256 -3.260 -6.189 1.00 0.00 N ATOM 972 CA ALA A 63 4.608 -2.135 -7.047 1.00 0.00 C ATOM 973 C ALA A 63 5.944 -1.527 -6.634 1.00 0.00 C ATOM 974 O ALA A 63 6.544 -1.939 -5.643 1.00 0.00 O ATOM 975 CB ALA A 63 3.511 -1.081 -7.010 1.00 0.00 C ATOM 0 H ALA A 63 4.318 -3.064 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 63 4.708 -2.504 -8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.786 -0.246 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.576 -1.517 -7.360 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.384 -0.723 -5.988 1.00 0.00 H new ATOM 981 N ASN A 64 6.403 -0.543 -7.401 1.00 0.00 N ATOM 982 CA ASN A 64 7.669 0.121 -7.116 1.00 0.00 C ATOM 983 C ASN A 64 7.532 1.635 -7.252 1.00 0.00 C ATOM 984 O ASN A 64 7.396 2.159 -8.358 1.00 0.00 O ATOM 985 CB ASN A 64 8.761 -0.390 -8.057 1.00 0.00 C ATOM 986 CG ASN A 64 8.934 -1.895 -7.979 1.00 0.00 C ATOM 987 OD1 ASN A 64 9.451 -2.421 -6.993 1.00 0.00 O ATOM 988 ND2 ASN A 64 8.502 -2.595 -9.021 1.00 0.00 N ATOM 0 H ASN A 64 5.917 -0.188 -8.224 1.00 0.00 H new ATOM 0 HA ASN A 64 7.948 -0.110 -6.088 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.516 -0.108 -9.081 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.706 0.095 -7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.592 -3.611 -9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.080 -2.117 -9.817 1.00 0.00 H new ATOM 995 N ALA A 65 7.569 2.331 -6.121 1.00 0.00 N ATOM 996 CA ALA A 65 7.452 3.784 -6.114 1.00 0.00 C ATOM 997 C ALA A 65 8.008 4.374 -4.823 1.00 0.00 C ATOM 998 O ALA A 65 7.477 4.133 -3.738 1.00 0.00 O ATOM 999 CB ALA A 65 6.000 4.197 -6.303 1.00 0.00 C ATOM 0 H ALA A 65 7.679 1.912 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 65 8.041 4.175 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.927 5.285 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.634 3.815 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.397 3.788 -5.493 1.00 0.00 H new ATOM 1005 N THR A 66 9.082 5.148 -4.945 1.00 0.00 N ATOM 1006 CA THR A 66 9.712 5.771 -3.788 1.00 0.00 C ATOM 1007 C THR A 66 9.034 7.090 -3.437 1.00 0.00 C ATOM 1008 O THR A 66 9.339 8.131 -4.020 1.00 0.00 O ATOM 1009 CB THR A 66 11.211 6.025 -4.033 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.380 7.125 -4.934 1.00 0.00 O ATOM 1011 CG2 THR A 66 11.884 4.786 -4.603 1.00 0.00 C ATOM 0 H THR A 66 9.534 5.358 -5.835 1.00 0.00 H new ATOM 0 HA THR A 66 9.601 5.076 -2.955 1.00 0.00 H new ATOM 0 HB THR A 66 11.678 6.264 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.921 7.914 -4.577 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.942 4.990 -4.768 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.779 3.959 -3.901 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.414 4.520 -5.550 1.00 0.00 H new ATOM 1019 N THR A 67 8.113 7.042 -2.479 1.00 0.00 N ATOM 1020 CA THR A 67 7.392 8.234 -2.051 1.00 0.00 C ATOM 1021 C THR A 67 6.484 7.930 -0.865 1.00 0.00 C ATOM 1022 O THR A 67 6.341 6.776 -0.458 1.00 0.00 O ATOM 1023 CB THR A 67 6.545 8.819 -3.196 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.585 9.744 -2.672 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.828 7.715 -3.958 1.00 0.00 C ATOM 0 H THR A 67 7.849 6.190 -1.985 1.00 0.00 H new ATOM 0 HA THR A 67 8.141 8.967 -1.753 1.00 0.00 H new ATOM 0 HB THR A 67 7.213 9.338 -3.883 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.051 10.113 -3.407 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.236 8.153 -4.762 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.562 7.029 -4.380 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.171 7.171 -3.279 1.00 0.00 H new ATOM 1033 N LEU A 68 5.870 8.972 -0.315 1.00 0.00 N ATOM 1034 CA LEU A 68 4.973 8.816 0.825 1.00 0.00 C ATOM 1035 C LEU A 68 3.515 8.821 0.376 1.00 0.00 C ATOM 1036 O LEU A 68 2.624 9.207 1.132 1.00 0.00 O ATOM 1037 CB LEU A 68 5.209 9.935 1.841 1.00 0.00 C ATOM 1038 CG LEU A 68 6.338 9.702 2.846 1.00 0.00 C ATOM 1039 CD1 LEU A 68 6.762 11.014 3.487 1.00 0.00 C ATOM 1040 CD2 LEU A 68 5.908 8.702 3.909 1.00 0.00 C ATOM 0 H LEU A 68 5.977 9.933 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 68 5.186 7.856 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.419 10.855 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.284 10.097 2.395 1.00 0.00 H new ATOM 0 HG LEU A 68 7.194 9.289 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.566 10.828 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.112 11.700 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.912 11.456 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.724 8.549 4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.037 9.087 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.655 7.754 3.435 1.00 0.00 H new ATOM 1052 N SER A 69 3.280 8.388 -0.859 1.00 0.00 N ATOM 1053 CA SER A 69 1.931 8.344 -1.409 1.00 0.00 C ATOM 1054 C SER A 69 1.913 7.604 -2.744 1.00 0.00 C ATOM 1055 O SER A 69 2.665 7.936 -3.660 1.00 0.00 O ATOM 1056 CB SER A 69 1.385 9.761 -1.591 1.00 0.00 C ATOM 1057 OG SER A 69 2.322 10.587 -2.261 1.00 0.00 O ATOM 0 H SER A 69 4.006 8.063 -1.497 1.00 0.00 H new ATOM 0 HA SER A 69 1.296 7.805 -0.706 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.455 9.726 -2.159 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.148 10.190 -0.618 1.00 0.00 H new ATOM 0 HG SER A 69 2.737 10.084 -2.992 1.00 0.00 H new ATOM 1063 N TYR A 70 1.048 6.601 -2.845 1.00 0.00 N ATOM 1064 CA TYR A 70 0.933 5.812 -4.066 1.00 0.00 C ATOM 1065 C TYR A 70 -0.523 5.706 -4.510 1.00 0.00 C ATOM 1066 O TYR A 70 -1.433 5.633 -3.684 1.00 0.00 O ATOM 1067 CB TYR A 70 1.515 4.414 -3.852 1.00 0.00 C ATOM 1068 CG TYR A 70 1.548 3.573 -5.107 1.00 0.00 C ATOM 1069 CD1 TYR A 70 0.372 3.176 -5.732 1.00 0.00 C ATOM 1070 CD2 TYR A 70 2.754 3.173 -5.669 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.396 2.406 -6.879 1.00 0.00 C ATOM 1072 CE2 TYR A 70 2.789 2.405 -6.817 1.00 0.00 C ATOM 1073 CZ TYR A 70 1.607 2.024 -7.418 1.00 0.00 C ATOM 1074 OH TYR A 70 1.637 1.258 -8.560 1.00 0.00 O ATOM 0 H TYR A 70 0.417 6.315 -2.097 1.00 0.00 H new ATOM 0 HA TYR A 70 1.498 6.317 -4.849 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.528 4.507 -3.461 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.927 3.897 -3.094 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.578 3.475 -5.314 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.681 3.468 -5.200 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.528 2.105 -7.351 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.736 2.105 -7.241 1.00 0.00 H new ATOM 0 HH TYR A 70 2.540 1.275 -8.941 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.735 5.698 -5.822 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.080 5.600 -6.379 1.00 0.00 C ATOM 1086 C LEU A 71 -2.213 4.366 -7.266 1.00 0.00 C ATOM 1087 O LEU A 71 -1.404 4.147 -8.168 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.413 6.858 -7.182 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.891 7.247 -7.236 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.044 8.710 -7.623 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -4.642 6.354 -8.214 1.00 0.00 C ATOM 0 H LEU A 71 0.007 5.758 -6.519 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.784 5.508 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.853 7.693 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.057 6.718 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.320 7.108 -6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.102 8.969 -7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.540 9.336 -6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.599 8.875 -8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.692 6.645 -8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.211 6.462 -9.209 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.561 5.315 -7.894 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.241 3.564 -7.006 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.482 2.355 -7.783 1.00 0.00 C ATOM 1105 C VAL A 72 -4.664 2.536 -8.729 1.00 0.00 C ATOM 1106 O VAL A 72 -5.679 3.131 -8.366 1.00 0.00 O ATOM 1107 CB VAL A 72 -3.752 1.145 -6.869 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.637 -0.153 -7.653 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -2.797 1.149 -5.685 1.00 0.00 C ATOM 0 H VAL A 72 -3.920 3.730 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.579 2.168 -8.365 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.770 1.221 -6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.831 -0.997 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.365 -0.154 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.632 -0.240 -8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.002 0.287 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.770 1.098 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.934 2.065 -5.110 1.00 0.00 H new ATOM 1119 N THR A 73 -4.526 2.019 -9.946 1.00 0.00 N ATOM 1120 CA THR A 73 -5.581 2.124 -10.946 1.00 0.00 C ATOM 1121 C THR A 73 -5.733 0.823 -11.724 1.00 0.00 C ATOM 1122 O THR A 73 -4.751 0.131 -11.994 1.00 0.00 O ATOM 1123 CB THR A 73 -5.305 3.272 -11.935 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.955 3.200 -12.405 1.00 0.00 O ATOM 1125 CG2 THR A 73 -5.548 4.623 -11.278 1.00 0.00 C ATOM 0 H THR A 73 -3.693 1.523 -10.263 1.00 0.00 H new ATOM 0 HA THR A 73 -6.506 2.332 -10.409 1.00 0.00 H new ATOM 0 HB THR A 73 -5.988 3.168 -12.778 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.788 3.932 -13.035 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.347 5.418 -11.996 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.585 4.686 -10.948 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.887 4.734 -10.419 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.970 0.494 -12.084 1.00 0.00 N ATOM 1134 CA GLY A 74 -7.227 -0.724 -12.830 1.00 0.00 C ATOM 1135 C GLY A 74 -7.823 -1.818 -11.966 1.00 0.00 C ATOM 1136 O GLY A 74 -7.438 -2.983 -12.072 1.00 0.00 O ATOM 0 H GLY A 74 -7.799 1.049 -11.872 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.906 -0.505 -13.654 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.296 -1.080 -13.271 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.764 -1.443 -11.106 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.414 -2.401 -10.218 1.00 0.00 C ATOM 1142 C LEU A 75 -10.873 -2.606 -10.612 1.00 0.00 C ATOM 1143 O LEU A 75 -11.404 -1.892 -11.463 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.328 -1.921 -8.768 1.00 0.00 C ATOM 1145 CG LEU A 75 -8.065 -1.145 -8.391 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -8.321 -0.266 -7.176 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -6.911 -2.100 -8.127 1.00 0.00 C ATOM 0 H LEU A 75 -9.094 -0.483 -11.005 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.895 -3.355 -10.310 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.193 -1.290 -8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.406 -2.789 -8.114 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.794 -0.502 -9.228 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.411 0.278 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.117 0.443 -7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.618 -0.889 -6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.021 -1.530 -7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.173 -2.769 -7.307 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.711 -2.686 -9.024 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.518 -3.584 -9.986 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.917 -3.882 -10.268 1.00 0.00 C ATOM 1161 C LYS A 76 -13.834 -3.172 -9.277 1.00 0.00 C ATOM 1162 O LYS A 76 -13.529 -3.046 -8.091 1.00 0.00 O ATOM 1163 CB LYS A 76 -13.160 -5.392 -10.212 1.00 0.00 C ATOM 1164 CG LYS A 76 -14.626 -5.776 -10.311 1.00 0.00 C ATOM 1165 CD LYS A 76 -14.882 -7.153 -9.721 1.00 0.00 C ATOM 1166 CE LYS A 76 -14.630 -8.252 -10.742 1.00 0.00 C ATOM 1167 NZ LYS A 76 -15.681 -8.280 -11.797 1.00 0.00 N ATOM 0 H LYS A 76 -11.094 -4.185 -9.279 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.145 -3.521 -11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.612 -5.870 -11.024 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.753 -5.783 -9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.233 -5.037 -9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.937 -5.763 -11.356 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.238 -7.305 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.911 -7.213 -9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.655 -8.101 -11.205 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.597 -9.217 -10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.670 -9.204 -12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.613 -8.126 -11.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.495 -7.530 -12.493 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.987 -2.697 -9.772 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.973 -1.994 -8.947 1.00 0.00 C ATOM 1183 C PRO A 77 -16.668 -2.922 -7.956 1.00 0.00 C ATOM 1184 O PRO A 77 -16.668 -4.140 -8.128 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.977 -1.459 -9.972 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.857 -2.380 -11.136 1.00 0.00 C ATOM 1187 CD PRO A 77 -15.417 -2.811 -11.176 1.00 0.00 C ATOM 0 HA PRO A 77 -15.513 -1.218 -8.335 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.990 -1.458 -9.570 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.745 -0.432 -10.254 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.519 -3.239 -11.024 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.140 -1.878 -12.061 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.313 -3.831 -11.546 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.824 -2.172 -11.831 1.00 0.00 H new ATOM 1195 N ASN A 78 -17.259 -2.337 -6.919 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.957 -3.113 -5.900 1.00 0.00 C ATOM 1197 C ASN A 78 -17.166 -4.365 -5.533 1.00 0.00 C ATOM 1198 O ASN A 78 -17.696 -5.477 -5.553 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.351 -3.504 -6.394 1.00 0.00 C ATOM 1200 CG ASN A 78 -19.302 -4.467 -7.564 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -19.156 -3.926 -8.768 1.00 0.00 O flip ATOM 1202 ND2 ASN A 78 -19.393 -5.681 -7.387 1.00 0.00 N flip ATOM 0 H ASN A 78 -17.269 -1.329 -6.762 1.00 0.00 H new ATOM 0 HA ASN A 78 -18.055 -2.492 -5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.909 -3.959 -5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.894 -2.606 -6.689 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -19.504 -6.052 -6.443 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -19.357 -6.317 -8.184 1.00 0.00 H new ATOM 1209 N THR A 79 -15.894 -4.177 -5.196 1.00 0.00 N ATOM 1210 CA THR A 79 -15.029 -5.290 -4.824 1.00 0.00 C ATOM 1211 C THR A 79 -14.000 -4.863 -3.783 1.00 0.00 C ATOM 1212 O THR A 79 -13.327 -3.844 -3.942 1.00 0.00 O ATOM 1213 CB THR A 79 -14.295 -5.864 -6.050 1.00 0.00 C ATOM 1214 OG1 THR A 79 -15.217 -6.567 -6.889 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.176 -6.802 -5.620 1.00 0.00 C ATOM 0 H THR A 79 -15.440 -3.264 -5.173 1.00 0.00 H new ATOM 0 HA THR A 79 -15.671 -6.062 -4.400 1.00 0.00 H new ATOM 0 HB THR A 79 -13.859 -5.034 -6.606 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.766 -5.923 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.672 -7.195 -6.503 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.460 -6.256 -5.006 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.594 -7.627 -5.043 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.883 -5.648 -2.718 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.934 -5.352 -1.650 1.00 0.00 C ATOM 1225 C LEU A 80 -11.499 -5.549 -2.126 1.00 0.00 C ATOM 1226 O LEU A 80 -11.187 -6.531 -2.801 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.208 -6.241 -0.436 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.194 -6.150 0.705 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -12.146 -4.737 1.264 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -12.535 -7.148 1.802 1.00 0.00 C ATOM 0 H LEU A 80 -14.433 -6.494 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.062 -4.308 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.192 -5.989 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.254 -7.277 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.208 -6.397 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.419 -4.691 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.854 -4.043 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.130 -4.462 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.803 -7.069 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.529 -6.932 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.518 -8.158 1.393 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.628 -4.612 -1.769 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.225 -4.683 -2.160 1.00 0.00 C ATOM 1244 C TYR A 81 -8.313 -4.381 -0.975 1.00 0.00 C ATOM 1245 O TYR A 81 -8.675 -3.621 -0.078 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.941 -3.703 -3.299 1.00 0.00 C ATOM 1247 CG TYR A 81 -9.263 -4.257 -4.669 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -8.308 -4.953 -5.401 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -10.521 -4.084 -5.232 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -8.598 -5.460 -6.653 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -10.820 -4.588 -6.482 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.855 -5.276 -7.189 1.00 0.00 C ATOM 1253 OH TYR A 81 -10.148 -5.779 -8.436 1.00 0.00 O ATOM 0 H TYR A 81 -10.869 -3.794 -1.209 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.021 -5.697 -2.503 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.521 -2.794 -3.138 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.889 -3.419 -3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.323 -5.100 -4.984 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.279 -3.546 -4.682 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.844 -5.998 -7.209 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.804 -4.445 -6.904 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.889 -6.417 -8.366 1.00 0.00 H new ATOM 1263 N GLU A 82 -7.127 -4.982 -0.980 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.163 -4.778 0.094 1.00 0.00 C ATOM 1265 C GLU A 82 -5.041 -3.844 -0.352 1.00 0.00 C ATOM 1266 O GLU A 82 -4.758 -3.720 -1.544 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.577 -6.117 0.545 1.00 0.00 C ATOM 1268 CG GLU A 82 -6.370 -6.785 1.656 1.00 0.00 C ATOM 1269 CD GLU A 82 -5.748 -8.090 2.113 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -4.522 -8.253 1.944 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -6.487 -8.948 2.640 1.00 0.00 O ATOM 0 H GLU A 82 -6.811 -5.614 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.685 -4.317 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.529 -6.790 -0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.553 -5.960 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.443 -6.105 2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.386 -6.973 1.310 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.407 -3.188 0.614 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.317 -2.264 0.322 1.00 0.00 C ATOM 1280 C PHE A 83 -2.345 -2.181 1.495 1.00 0.00 C ATOM 1281 O PHE A 83 -2.745 -1.921 2.630 1.00 0.00 O ATOM 1282 CB PHE A 83 -3.870 -0.873 0.005 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.654 -0.817 -1.275 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.005 -0.756 -2.498 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.040 -0.827 -1.256 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -4.724 -0.703 -3.677 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -6.764 -0.775 -2.432 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.105 -0.715 -3.644 1.00 0.00 C ATOM 0 H PHE A 83 -4.629 -3.279 1.605 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.779 -2.641 -0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.508 -0.548 0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.042 -0.166 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.925 -0.750 -2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.560 -0.876 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.207 -0.652 -4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -7.844 -0.781 -2.403 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.668 -0.678 -4.565 1.00 0.00 H new ATOM 1298 N SER A 84 -1.065 -2.405 1.212 1.00 0.00 N ATOM 1299 CA SER A 84 -0.035 -2.361 2.244 1.00 0.00 C ATOM 1300 C SER A 84 1.270 -1.803 1.684 1.00 0.00 C ATOM 1301 O SER A 84 1.620 -2.049 0.530 1.00 0.00 O ATOM 1302 CB SER A 84 0.200 -3.758 2.820 1.00 0.00 C ATOM 1303 OG SER A 84 0.664 -3.687 4.157 1.00 0.00 O ATOM 0 H SER A 84 -0.717 -2.619 0.277 1.00 0.00 H new ATOM 0 HA SER A 84 -0.381 -1.702 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.727 -4.330 2.783 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.928 -4.290 2.207 1.00 0.00 H new ATOM 0 HG SER A 84 -0.098 -3.564 4.761 1.00 0.00 H new ATOM 1309 N VAL A 85 1.987 -1.049 2.512 1.00 0.00 N ATOM 1310 CA VAL A 85 3.254 -0.456 2.102 1.00 0.00 C ATOM 1311 C VAL A 85 4.390 -0.903 3.015 1.00 0.00 C ATOM 1312 O VAL A 85 4.205 -1.062 4.221 1.00 0.00 O ATOM 1313 CB VAL A 85 3.181 1.083 2.108 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.375 1.676 1.375 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.876 1.556 1.487 1.00 0.00 C ATOM 0 H VAL A 85 1.712 -0.835 3.470 1.00 0.00 H new ATOM 0 HA VAL A 85 3.451 -0.799 1.086 1.00 0.00 H new ATOM 0 HB VAL A 85 3.211 1.428 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.307 2.764 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.296 1.364 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.379 1.326 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.841 2.645 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.814 1.203 0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.037 1.160 2.058 1.00 0.00 H new ATOM 1325 N MET A 86 5.567 -1.103 2.430 1.00 0.00 N ATOM 1326 CA MET A 86 6.735 -1.531 3.192 1.00 0.00 C ATOM 1327 C MET A 86 7.989 -0.802 2.719 1.00 0.00 C ATOM 1328 O MET A 86 8.013 -0.232 1.628 1.00 0.00 O ATOM 1329 CB MET A 86 6.930 -3.043 3.062 1.00 0.00 C ATOM 1330 CG MET A 86 7.235 -3.496 1.643 1.00 0.00 C ATOM 1331 SD MET A 86 7.524 -5.272 1.529 1.00 0.00 S ATOM 1332 CE MET A 86 9.145 -5.400 2.282 1.00 0.00 C ATOM 0 H MET A 86 5.737 -0.976 1.432 1.00 0.00 H new ATOM 0 HA MET A 86 6.565 -1.283 4.240 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.744 -3.354 3.717 1.00 0.00 H new ATOM 0 HB3 MET A 86 6.030 -3.549 3.411 1.00 0.00 H new ATOM 0 HG2 MET A 86 6.404 -3.224 0.992 1.00 0.00 H new ATOM 0 HG3 MET A 86 8.113 -2.964 1.277 1.00 0.00 H new ATOM 0 HE1 MET A 86 9.554 -6.393 2.098 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.807 -4.649 1.851 1.00 0.00 H new ATOM 0 HE3 MET A 86 9.061 -5.236 3.356 1.00 0.00 H new ATOM 1342 N VAL A 87 9.029 -0.825 3.546 1.00 0.00 N ATOM 1343 CA VAL A 87 10.286 -0.167 3.212 1.00 0.00 C ATOM 1344 C VAL A 87 11.447 -1.154 3.239 1.00 0.00 C ATOM 1345 O VAL A 87 11.481 -2.069 4.063 1.00 0.00 O ATOM 1346 CB VAL A 87 10.589 0.991 4.181 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.670 0.483 5.612 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.877 1.696 3.783 1.00 0.00 C ATOM 0 H VAL A 87 9.026 -1.292 4.453 1.00 0.00 H new ATOM 0 HA VAL A 87 10.175 0.232 2.204 1.00 0.00 H new ATOM 0 HB VAL A 87 9.774 1.713 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.885 1.315 6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.719 0.029 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.464 -0.260 5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.075 2.511 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.704 0.986 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.776 2.096 2.774 1.00 0.00 H new ATOM 1358 N THR A 88 12.401 -0.964 2.333 1.00 0.00 N ATOM 1359 CA THR A 88 13.564 -1.838 2.252 1.00 0.00 C ATOM 1360 C THR A 88 14.840 -1.035 2.021 1.00 0.00 C ATOM 1361 O THR A 88 14.849 -0.072 1.254 1.00 0.00 O ATOM 1362 CB THR A 88 13.412 -2.874 1.122 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.349 -3.783 1.432 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.705 -3.648 0.919 1.00 0.00 C ATOM 0 H THR A 88 12.391 -0.212 1.644 1.00 0.00 H new ATOM 0 HA THR A 88 13.633 -2.360 3.206 1.00 0.00 H new ATOM 0 HB THR A 88 13.178 -2.342 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.257 -4.438 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.573 -4.373 0.116 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.505 -2.957 0.655 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.965 -4.170 1.840 1.00 0.00 H new ATOM 1372 N LYS A 89 15.916 -1.439 2.688 1.00 0.00 N ATOM 1373 CA LYS A 89 17.199 -0.759 2.554 1.00 0.00 C ATOM 1374 C LYS A 89 18.354 -1.719 2.820 1.00 0.00 C ATOM 1375 O LYS A 89 18.262 -2.593 3.680 1.00 0.00 O ATOM 1376 CB LYS A 89 17.274 0.426 3.520 1.00 0.00 C ATOM 1377 CG LYS A 89 18.461 1.340 3.270 1.00 0.00 C ATOM 1378 CD LYS A 89 18.738 2.236 4.466 1.00 0.00 C ATOM 1379 CE LYS A 89 17.667 3.305 4.621 1.00 0.00 C ATOM 1380 NZ LYS A 89 18.040 4.318 5.647 1.00 0.00 N ATOM 0 H LYS A 89 15.925 -2.234 3.327 1.00 0.00 H new ATOM 0 HA LYS A 89 17.283 -0.392 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.355 1.007 3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.325 0.049 4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 89 19.344 0.739 3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 89 18.269 1.955 2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.784 1.632 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.713 2.710 4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.506 3.800 3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.723 2.836 4.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.285 5.029 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.169 3.850 6.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.927 4.784 5.369 1.00 0.00 H new ATOM 1394 N GLY A 90 19.442 -1.549 2.075 1.00 0.00 N ATOM 1395 CA GLY A 90 20.600 -2.407 2.247 1.00 0.00 C ATOM 1396 C GLY A 90 20.243 -3.879 2.193 1.00 0.00 C ATOM 1397 O GLY A 90 20.027 -4.434 1.115 1.00 0.00 O ATOM 0 H GLY A 90 19.542 -0.833 1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 90 21.332 -2.185 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 90 21.074 -2.186 3.204 1.00 0.00 H new ATOM 1401 N ARG A 91 20.183 -4.515 3.359 1.00 0.00 N ATOM 1402 CA ARG A 91 19.853 -5.932 3.440 1.00 0.00 C ATOM 1403 C ARG A 91 18.770 -6.180 4.487 1.00 0.00 C ATOM 1404 O ARG A 91 18.648 -7.283 5.019 1.00 0.00 O ATOM 1405 CB ARG A 91 21.101 -6.750 3.779 1.00 0.00 C ATOM 1406 CG ARG A 91 22.027 -6.967 2.593 1.00 0.00 C ATOM 1407 CD ARG A 91 23.220 -7.831 2.969 1.00 0.00 C ATOM 1408 NE ARG A 91 24.343 -7.034 3.454 1.00 0.00 N ATOM 1409 CZ ARG A 91 25.426 -7.556 4.019 1.00 0.00 C ATOM 1410 NH1 ARG A 91 25.532 -8.869 4.169 1.00 0.00 N ATOM 1411 NH2 ARG A 91 26.406 -6.764 4.435 1.00 0.00 N ATOM 0 H ARG A 91 20.359 -4.071 4.260 1.00 0.00 H new ATOM 0 HA ARG A 91 19.473 -6.246 2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.652 -6.245 4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.794 -7.719 4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.475 -7.440 1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 91 22.377 -6.004 2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 91 22.923 -8.544 3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 91 23.535 -8.411 2.101 1.00 0.00 H new ATOM 0 HE ARG A 91 24.293 -6.020 3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 91 24.781 -9.481 3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 91 26.365 -9.267 4.603 1.00 0.00 H new ATOM 0 HH21 ARG A 91 26.328 -5.753 4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 91 27.237 -7.166 4.869 1.00 0.00 H new ATOM 1425 N ARG A 92 17.988 -5.145 4.777 1.00 0.00 N ATOM 1426 CA ARG A 92 16.917 -5.250 5.761 1.00 0.00 C ATOM 1427 C ARG A 92 15.561 -4.971 5.120 1.00 0.00 C ATOM 1428 O ARG A 92 15.480 -4.606 3.947 1.00 0.00 O ATOM 1429 CB ARG A 92 17.159 -4.274 6.914 1.00 0.00 C ATOM 1430 CG ARG A 92 17.538 -2.875 6.459 1.00 0.00 C ATOM 1431 CD ARG A 92 19.039 -2.743 6.254 1.00 0.00 C ATOM 1432 NE ARG A 92 19.743 -2.492 7.509 1.00 0.00 N ATOM 1433 CZ ARG A 92 20.964 -1.974 7.576 1.00 0.00 C ATOM 1434 NH1 ARG A 92 21.614 -1.654 6.465 1.00 0.00 N ATOM 1435 NH2 ARG A 92 21.538 -1.774 8.755 1.00 0.00 N ATOM 0 H ARG A 92 18.076 -4.225 4.345 1.00 0.00 H new ATOM 0 HA ARG A 92 16.913 -6.268 6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 92 16.258 -4.216 7.525 1.00 0.00 H new ATOM 0 HB3 ARG A 92 17.952 -4.667 7.551 1.00 0.00 H new ATOM 0 HG2 ARG A 92 17.021 -2.641 5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 92 17.206 -2.148 7.200 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.424 -3.655 5.798 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.239 -1.929 5.557 1.00 0.00 H new ATOM 0 HE ARG A 92 19.271 -2.728 8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 92 21.176 -1.806 5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.552 -1.256 6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 92 21.042 -2.018 9.612 1.00 0.00 H new ATOM 0 HH22 ARG A 92 22.476 -1.376 8.805 1.00 0.00 H new ATOM 1449 N SER A 93 14.497 -5.146 5.898 1.00 0.00 N ATOM 1450 CA SER A 93 13.144 -4.918 5.405 1.00 0.00 C ATOM 1451 C SER A 93 12.131 -4.997 6.543 1.00 0.00 C ATOM 1452 O SER A 93 12.235 -5.852 7.423 1.00 0.00 O ATOM 1453 CB SER A 93 12.793 -5.940 4.323 1.00 0.00 C ATOM 1454 OG SER A 93 13.105 -7.257 4.745 1.00 0.00 O ATOM 0 H SER A 93 14.546 -5.445 6.872 1.00 0.00 H new ATOM 0 HA SER A 93 13.105 -3.917 4.975 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.731 -5.873 4.085 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.339 -5.709 3.409 1.00 0.00 H new ATOM 0 HG SER A 93 12.870 -7.892 4.037 1.00 0.00 H new ATOM 1460 N SER A 94 11.151 -4.100 6.518 1.00 0.00 N ATOM 1461 CA SER A 94 10.120 -4.064 7.549 1.00 0.00 C ATOM 1462 C SER A 94 8.905 -4.887 7.131 1.00 0.00 C ATOM 1463 O SER A 94 8.770 -5.271 5.969 1.00 0.00 O ATOM 1464 CB SER A 94 9.700 -2.621 7.831 1.00 0.00 C ATOM 1465 OG SER A 94 8.757 -2.168 6.875 1.00 0.00 O ATOM 0 H SER A 94 11.049 -3.388 5.795 1.00 0.00 H new ATOM 0 HA SER A 94 10.536 -4.498 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.271 -2.553 8.831 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.577 -1.974 7.816 1.00 0.00 H new ATOM 0 HG SER A 94 8.992 -2.521 5.991 1.00 0.00 H new ATOM 1471 N THR A 95 8.022 -5.155 8.088 1.00 0.00 N ATOM 1472 CA THR A 95 6.819 -5.933 7.822 1.00 0.00 C ATOM 1473 C THR A 95 5.807 -5.123 7.020 1.00 0.00 C ATOM 1474 O THR A 95 6.021 -3.942 6.745 1.00 0.00 O ATOM 1475 CB THR A 95 6.158 -6.410 9.128 1.00 0.00 C ATOM 1476 OG1 THR A 95 4.959 -7.137 8.834 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.832 -5.231 10.033 1.00 0.00 C ATOM 0 H THR A 95 8.118 -4.844 9.055 1.00 0.00 H new ATOM 0 HA THR A 95 7.127 -6.802 7.241 1.00 0.00 H new ATOM 0 HB THR A 95 6.861 -7.062 9.646 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.546 -7.438 9.670 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.366 -5.594 10.949 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.750 -4.697 10.280 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.147 -4.557 9.519 1.00 0.00 H new ATOM 1485 N TRP A 96 4.704 -5.763 6.649 1.00 0.00 N ATOM 1486 CA TRP A 96 3.658 -5.100 5.878 1.00 0.00 C ATOM 1487 C TRP A 96 2.771 -4.251 6.782 1.00 0.00 C ATOM 1488 O TRP A 96 2.017 -4.779 7.599 1.00 0.00 O ATOM 1489 CB TRP A 96 2.810 -6.134 5.136 1.00 0.00 C ATOM 1490 CG TRP A 96 3.533 -6.790 3.998 1.00 0.00 C ATOM 1491 CD1 TRP A 96 4.015 -8.066 3.961 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.856 -6.199 2.735 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.619 -8.305 2.750 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.534 -7.176 1.979 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.636 -4.941 2.167 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 4.994 -6.931 0.688 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.094 -4.700 0.886 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.766 -5.691 0.157 1.00 0.00 C ATOM 0 H TRP A 96 4.511 -6.740 6.869 1.00 0.00 H new ATOM 0 HA TRP A 96 4.137 -4.444 5.151 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.485 -6.900 5.840 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.911 -5.650 4.755 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.934 -8.783 4.765 1.00 0.00 H new ATOM 0 HE1 TRP A 96 5.059 -9.181 2.470 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.117 -4.171 2.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.513 -7.693 0.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.931 -3.731 0.438 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.110 -5.471 -0.843 1.00 0.00 H new ATOM 1509 N SER A 97 2.867 -2.934 6.631 1.00 0.00 N ATOM 1510 CA SER A 97 2.076 -2.012 7.437 1.00 0.00 C ATOM 1511 C SER A 97 0.627 -2.481 7.533 1.00 0.00 C ATOM 1512 O SER A 97 0.194 -3.352 6.779 1.00 0.00 O ATOM 1513 CB SER A 97 2.129 -0.605 6.840 1.00 0.00 C ATOM 1514 OG SER A 97 1.665 -0.600 5.501 1.00 0.00 O ATOM 0 H SER A 97 3.485 -2.481 5.958 1.00 0.00 H new ATOM 0 HA SER A 97 2.500 -1.989 8.441 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.521 0.071 7.441 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.152 -0.230 6.875 1.00 0.00 H new ATOM 0 HG SER A 97 1.348 -1.496 5.261 1.00 0.00 H new ATOM 1520 N MET A 98 -0.116 -1.898 8.468 1.00 0.00 N ATOM 1521 CA MET A 98 -1.516 -2.255 8.663 1.00 0.00 C ATOM 1522 C MET A 98 -2.255 -2.308 7.330 1.00 0.00 C ATOM 1523 O MET A 98 -2.334 -1.310 6.611 1.00 0.00 O ATOM 1524 CB MET A 98 -2.196 -1.250 9.596 1.00 0.00 C ATOM 1525 CG MET A 98 -1.939 0.200 9.218 1.00 0.00 C ATOM 1526 SD MET A 98 -3.070 1.341 10.036 1.00 0.00 S ATOM 1527 CE MET A 98 -4.484 1.261 8.938 1.00 0.00 C ATOM 0 H MET A 98 0.228 -1.177 9.102 1.00 0.00 H new ATOM 0 HA MET A 98 -1.552 -3.245 9.118 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.271 -1.433 9.593 1.00 0.00 H new ATOM 0 HB3 MET A 98 -1.847 -1.419 10.615 1.00 0.00 H new ATOM 0 HG2 MET A 98 -0.913 0.463 9.477 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.034 0.312 8.138 1.00 0.00 H new ATOM 0 HE1 MET A 98 -4.645 2.237 8.480 1.00 0.00 H new ATOM 0 HE2 MET A 98 -4.299 0.521 8.159 1.00 0.00 H new ATOM 0 HE3 MET A 98 -5.370 0.976 9.506 1.00 0.00 H new ATOM 1537 N THR A 99 -2.795 -3.478 7.003 1.00 0.00 N ATOM 1538 CA THR A 99 -3.526 -3.661 5.755 1.00 0.00 C ATOM 1539 C THR A 99 -4.766 -2.776 5.709 1.00 0.00 C ATOM 1540 O THR A 99 -5.653 -2.891 6.554 1.00 0.00 O ATOM 1541 CB THR A 99 -3.950 -5.129 5.563 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.820 -5.992 5.735 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.551 -5.343 4.182 1.00 0.00 C ATOM 0 H THR A 99 -2.740 -4.313 7.586 1.00 0.00 H new ATOM 0 HA THR A 99 -2.850 -3.377 4.948 1.00 0.00 H new ATOM 0 HB THR A 99 -4.706 -5.366 6.312 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.098 -6.924 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.843 -6.387 4.070 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.428 -4.707 4.064 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.813 -5.089 3.421 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.820 -1.893 4.718 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.954 -0.990 4.560 1.00 0.00 C ATOM 1553 C ALA A 100 -6.985 -1.566 3.596 1.00 0.00 C ATOM 1554 O ALA A 100 -6.697 -1.779 2.417 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.480 0.373 4.077 1.00 0.00 C ATOM 0 H ALA A 100 -4.092 -1.783 4.012 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.431 -0.873 5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.337 1.037 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.787 0.796 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.976 0.264 3.117 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.188 -1.817 4.103 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.262 -2.369 3.286 1.00 0.00 C ATOM 1563 C HIS A 101 -10.125 -1.256 2.698 1.00 0.00 C ATOM 1564 O HIS A 101 -10.773 -0.508 3.429 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.128 -3.316 4.116 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.550 -4.691 4.253 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.638 -5.433 5.412 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -8.874 -5.460 3.367 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -9.040 -6.597 5.233 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.568 -6.639 4.000 1.00 0.00 N ATOM 0 H HIS A 101 -8.443 -1.647 5.076 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.810 -2.927 2.466 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.269 -2.890 5.109 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -11.114 -3.389 3.657 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -10.094 -5.130 6.273 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.622 -5.195 2.351 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.952 -7.382 5.970 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.126 -1.151 1.373 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.912 -0.126 0.710 1.00 0.00 C ATOM 1581 C GLY A 102 -11.811 -0.693 -0.370 1.00 0.00 C ATOM 1582 O GLY A 102 -11.348 -1.395 -1.270 1.00 0.00 O ATOM 0 H GLY A 102 -9.597 -1.757 0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.521 0.395 1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.242 0.613 0.270 1.00 0.00 H new ATOM 1586 N THR A 103 -13.103 -0.390 -0.282 1.00 0.00 N ATOM 1587 CA THR A 103 -14.070 -0.876 -1.258 1.00 0.00 C ATOM 1588 C THR A 103 -14.478 0.229 -2.225 1.00 0.00 C ATOM 1589 O THR A 103 -15.024 1.255 -1.818 1.00 0.00 O ATOM 1590 CB THR A 103 -15.331 -1.432 -0.570 1.00 0.00 C ATOM 1591 OG1 THR A 103 -14.961 -2.375 0.443 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.249 -2.102 -1.582 1.00 0.00 C ATOM 0 H THR A 103 -13.503 0.190 0.456 1.00 0.00 H new ATOM 0 HA THR A 103 -13.584 -1.679 -1.812 1.00 0.00 H new ATOM 0 HB THR A 103 -15.866 -0.599 -0.113 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.768 -2.723 0.877 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.133 -2.487 -1.073 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.552 -1.375 -2.335 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.721 -2.925 -2.064 1.00 0.00 H new ATOM 1600 N THR A 104 -14.210 0.014 -3.510 1.00 0.00 N ATOM 1601 CA THR A 104 -14.549 0.992 -4.535 1.00 0.00 C ATOM 1602 C THR A 104 -16.059 1.180 -4.638 1.00 0.00 C ATOM 1603 O THR A 104 -16.829 0.448 -4.017 1.00 0.00 O ATOM 1604 CB THR A 104 -14.000 0.575 -5.913 1.00 0.00 C ATOM 1605 OG1 THR A 104 -14.552 -0.689 -6.298 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.482 0.484 -5.885 1.00 0.00 C ATOM 0 H THR A 104 -13.759 -0.829 -3.865 1.00 0.00 H new ATOM 0 HA THR A 104 -14.088 1.934 -4.238 1.00 0.00 H new ATOM 0 HB THR A 104 -14.289 1.334 -6.640 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.913 -1.165 -6.868 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.117 0.188 -6.869 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.064 1.455 -5.620 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.175 -0.257 -5.146 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.475 2.165 -5.427 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.893 2.449 -5.611 1.00 0.00 C ATOM 1616 C PHE A 105 -18.480 1.589 -6.726 1.00 0.00 C ATOM 1617 O PHE A 105 -17.793 1.250 -7.689 1.00 0.00 O ATOM 1618 CB PHE A 105 -18.101 3.931 -5.932 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.757 4.845 -4.792 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.372 4.699 -3.559 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.818 5.852 -4.952 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.057 5.538 -2.507 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.500 6.695 -3.904 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.120 6.538 -2.680 1.00 0.00 C ATOM 0 H PHE A 105 -15.850 2.780 -5.949 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.409 2.210 -4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.492 4.196 -6.796 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -19.142 4.091 -6.214 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.107 3.920 -3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.329 5.979 -5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.543 5.412 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.767 7.476 -4.042 1.00 0.00 H new ATOM 0 HZ PHE A 105 -16.873 7.196 -1.860 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.755 1.238 -6.587 1.00 0.00 N ATOM 1635 CA GLU A 106 -20.434 0.416 -7.581 1.00 0.00 C ATOM 1636 C GLU A 106 -20.439 1.104 -8.944 1.00 0.00 C ATOM 1637 O GLU A 106 -20.746 2.292 -9.051 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.869 0.123 -7.140 1.00 0.00 C ATOM 1639 CG GLU A 106 -21.959 -0.792 -5.931 1.00 0.00 C ATOM 1640 CD GLU A 106 -21.043 -0.361 -4.803 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -19.833 -0.666 -4.872 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -21.534 0.281 -3.851 1.00 0.00 O ATOM 0 H GLU A 106 -20.338 1.510 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.890 -0.525 -7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -22.369 1.064 -6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -22.410 -0.331 -7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -22.988 -0.812 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -21.706 -1.809 -6.230 1.00 0.00 H new ATOM 1649 N LEU A 107 -20.097 0.349 -9.982 1.00 0.00 N ATOM 1650 CA LEU A 107 -20.061 0.884 -11.338 1.00 0.00 C ATOM 1651 C LEU A 107 -21.342 0.542 -12.093 1.00 0.00 C ATOM 1652 O LEU A 107 -21.388 -0.426 -12.852 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.849 0.335 -12.093 1.00 0.00 C ATOM 1654 CG LEU A 107 -18.785 0.658 -13.586 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -19.149 2.114 -13.833 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -17.402 0.351 -14.140 1.00 0.00 C ATOM 0 H LEU A 107 -19.841 -0.636 -9.910 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.979 1.969 -11.271 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.946 0.720 -11.619 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.833 -0.748 -11.975 1.00 0.00 H new ATOM 0 HG LEU A 107 -19.509 0.030 -14.105 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -19.098 2.326 -14.901 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -20.161 2.302 -13.474 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -18.449 2.759 -13.301 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.376 0.587 -15.204 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -16.659 0.952 -13.616 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -17.179 -0.706 -13.997 1.00 0.00 H new