USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 712 hydrogens (62 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 62 ASN : amide:sc= -1.69! K(o=-2.7!,f=-0.83) USER MOD Set 1.2: A 64 ASN : amide:sc= -0.968! K(o=-2.7!,f=-0.83) USER MOD Set 2.1: A 1 LEU N :NH3+ -129:sc= 1.42 (180deg=-0.459) USER MOD Set 2.2: A 46 THR OG1 : rot 170:sc= 1.04 USER MOD Set 3.1: A 8 SER OG : rot 180:sc= 0.247 USER MOD Set 3.2: A 9 LYS NZ :NH3+ 142:sc= 1.42 (180deg=-0.697!) USER MOD Single : A 2 ASN : amide:sc= 0.563 K(o=0.56,f=-1.4) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 10 MET CE :methyl -172:sc= -6.83! (180deg=-7.45!) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= -0.501 (180deg=-0.52) USER MOD Single : A 15 THR OG1 : rot -79:sc= -0.404 USER MOD Single : A 16 TYR OH : rot 165:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.997 K(o=-1,f=-1.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 29 ASN : amide:sc= -4.46! C(o=-4.5!,f=-4.6!) USER MOD Single : A 35 HIS : no HE2:sc= -4.52! C(o=-4.5!,f=-12!) USER MOD Single : A 36 ASN : amide:sc= -3.01! C(o=-3!,f=-4.6!) USER MOD Single : A 37 GLN : amide:sc= -8! C(o=-8!,f=-11!) USER MOD Single : A 39 GLN : amide:sc= -0.74 X(o=-0.74,f=-0.49) USER MOD Single : A 40 SER OG : rot 87:sc= 1.27 USER MOD Single : A 41 SER OG : rot 180:sc= 0.121! USER MOD Single : A 45 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 49 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.91) USER MOD Single : A 52 LYS NZ :NH3+ -143:sc= -0.203 (180deg=-4.09!) USER MOD Single : A 59 HIS : no HE2:sc= 0.799 K(o=0.8,f=-4.6!) USER MOD Single : A 60 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.023) USER MOD Single : A 65 ASN : amide:sc= -13.3! C(o=-13!,f=-20!) USER MOD Single : A 68 SER OG : rot -20:sc= 0.25 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00425 USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= -0.774! (180deg=-2.9!) USER MOD Single : A 74 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.29) USER MOD Single : A 76 ASN : amide:sc= -2.23 K(o=-2.2,f=-9.8!) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.819 USER MOD Single : A 80 THR OG1 : rot -131:sc= 0.678 USER MOD Single : A 82 SER OG : rot 72:sc= 2.15 USER MOD Single : A 88 SER OG : rot -28:sc= 1.08 USER MOD Single : A 91 TYR OH : rot 129:sc= 1 USER MOD Single : A 92 COA O2B : rot -40:sc= 0.924 USER MOD Single : A 92 COA OAP : rot 117:sc= 1.7 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -9.686 7.467 3.582 1.00 0.00 N ATOM 2 CA LEU A 1 -9.577 7.862 5.033 1.00 0.00 C ATOM 3 C LEU A 1 -8.100 8.263 5.248 1.00 0.00 C ATOM 4 O LEU A 1 -7.434 8.384 4.242 1.00 0.00 O ATOM 5 CB LEU A 1 -9.965 6.657 5.951 1.00 0.00 C ATOM 6 CG LEU A 1 -10.948 7.142 7.053 1.00 0.00 C ATOM 7 CD1 LEU A 1 -11.337 5.935 7.911 1.00 0.00 C ATOM 8 CD2 LEU A 1 -10.285 8.176 7.989 1.00 0.00 C ATOM 0 H1 LEU A 1 -10.480 7.975 3.143 1.00 0.00 H new ATOM 0 H2 LEU A 1 -8.803 7.710 3.089 1.00 0.00 H new ATOM 0 H3 LEU A 1 -9.850 6.442 3.513 1.00 0.00 H new ATOM 0 HA LEU A 1 -10.250 8.682 5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -10.427 5.868 5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -9.071 6.231 6.407 1.00 0.00 H new ATOM 0 HG LEU A 1 -11.808 7.601 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -12.028 6.252 8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -11.818 5.183 7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -10.443 5.510 8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -11.002 8.493 8.747 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -9.419 7.725 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -9.966 9.041 7.408 1.00 0.00 H new ATOM 22 N ASN A 2 -7.603 8.459 6.452 1.00 0.00 N ATOM 23 CA ASN A 2 -6.147 8.855 6.635 1.00 0.00 C ATOM 24 C ASN A 2 -5.257 7.699 7.177 1.00 0.00 C ATOM 25 O ASN A 2 -4.370 7.854 7.978 1.00 0.00 O ATOM 26 CB ASN A 2 -6.059 10.064 7.623 1.00 0.00 C ATOM 27 CG ASN A 2 -7.046 11.171 7.272 1.00 0.00 C ATOM 28 OD1 ASN A 2 -8.245 11.042 7.456 1.00 0.00 O ATOM 29 ND2 ASN A 2 -6.582 12.267 6.763 1.00 0.00 N ATOM 0 H ASN A 2 -8.134 8.364 7.318 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.768 9.119 5.648 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.253 9.716 8.638 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.046 10.466 7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.219 13.024 6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.579 12.374 6.610 1.00 0.00 H new ATOM 36 N CYS A 3 -5.570 6.558 6.658 1.00 0.00 N ATOM 37 CA CYS A 3 -4.937 5.220 6.919 1.00 0.00 C ATOM 38 C CYS A 3 -4.149 4.772 8.240 1.00 0.00 C ATOM 39 O CYS A 3 -4.724 4.038 9.019 1.00 0.00 O ATOM 40 CB CYS A 3 -4.141 5.125 5.604 1.00 0.00 C ATOM 41 SG CYS A 3 -4.384 6.512 4.454 1.00 0.00 S ATOM 0 H CYS A 3 -6.330 6.485 5.981 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.709 4.499 7.186 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.080 5.054 5.844 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.416 4.200 5.097 1.00 0.00 H new ATOM 46 N GLY A 4 -2.921 5.144 8.523 1.00 0.00 N ATOM 47 CA GLY A 4 -2.199 4.699 9.784 1.00 0.00 C ATOM 48 C GLY A 4 -1.756 3.239 9.679 1.00 0.00 C ATOM 49 O GLY A 4 -0.591 2.910 9.565 1.00 0.00 O ATOM 0 H GLY A 4 -2.366 5.754 7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.330 5.335 9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.856 4.822 10.645 1.00 0.00 H new ATOM 53 N GLN A 5 -2.737 2.379 9.715 1.00 0.00 N ATOM 54 CA GLN A 5 -2.495 0.897 9.616 1.00 0.00 C ATOM 55 C GLN A 5 -1.705 0.586 8.327 1.00 0.00 C ATOM 56 O GLN A 5 -0.943 -0.366 8.229 1.00 0.00 O ATOM 57 CB GLN A 5 -3.886 0.220 9.631 1.00 0.00 C ATOM 58 CG GLN A 5 -4.042 -0.633 10.921 1.00 0.00 C ATOM 59 CD GLN A 5 -3.656 -2.095 10.695 1.00 0.00 C ATOM 60 OE1 GLN A 5 -2.574 -2.445 10.280 1.00 0.00 O ATOM 61 NE2 GLN A 5 -4.524 -3.011 10.962 1.00 0.00 N ATOM 0 H GLN A 5 -3.719 2.640 9.811 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.897 0.520 10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.669 0.977 9.587 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.003 -0.411 8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.419 -0.212 11.711 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.074 -0.581 11.267 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.446 -2.753 11.313 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.288 -3.993 10.822 1.00 0.00 H new ATOM 70 N VAL A 6 -1.945 1.465 7.390 1.00 0.00 N ATOM 71 CA VAL A 6 -1.304 1.379 6.053 1.00 0.00 C ATOM 72 C VAL A 6 0.187 1.331 6.344 1.00 0.00 C ATOM 73 O VAL A 6 0.808 0.319 6.097 1.00 0.00 O ATOM 74 CB VAL A 6 -1.718 2.634 5.222 1.00 0.00 C ATOM 75 CG1 VAL A 6 -0.744 2.832 4.115 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.048 2.403 4.490 1.00 0.00 C ATOM 0 H VAL A 6 -2.576 2.258 7.503 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.602 0.509 5.467 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.773 3.468 5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.029 3.708 3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.253 2.981 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.741 1.952 3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.309 3.295 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.948 1.556 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.832 2.195 5.218 1.00 0.00 H new ATOM 86 N ASP A 7 0.762 2.369 6.872 1.00 0.00 N ATOM 87 CA ASP A 7 2.212 2.267 7.143 1.00 0.00 C ATOM 88 C ASP A 7 2.518 1.143 8.116 1.00 0.00 C ATOM 89 O ASP A 7 3.499 0.449 7.911 1.00 0.00 O ATOM 90 CB ASP A 7 2.630 3.608 7.654 1.00 0.00 C ATOM 91 CG ASP A 7 3.265 4.335 6.473 1.00 0.00 C ATOM 92 OD1 ASP A 7 4.135 3.760 5.868 1.00 0.00 O ATOM 93 OD2 ASP A 7 2.938 5.439 6.152 1.00 0.00 O ATOM 0 H ASP A 7 0.311 3.250 7.119 1.00 0.00 H new ATOM 0 HA ASP A 7 2.774 2.013 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.774 4.163 8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.339 3.508 8.476 1.00 0.00 H new ATOM 98 N SER A 8 1.692 0.993 9.130 1.00 0.00 N ATOM 99 CA SER A 8 1.909 -0.111 10.142 1.00 0.00 C ATOM 100 C SER A 8 2.434 -1.362 9.428 1.00 0.00 C ATOM 101 O SER A 8 3.385 -1.949 9.909 1.00 0.00 O ATOM 102 CB SER A 8 0.597 -0.487 10.880 1.00 0.00 C ATOM 103 OG SER A 8 1.035 -1.454 11.845 1.00 0.00 O ATOM 0 H SER A 8 0.878 1.583 9.305 1.00 0.00 H new ATOM 0 HA SER A 8 2.628 0.255 10.875 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.139 0.380 11.357 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.144 -0.904 10.198 1.00 0.00 H new ATOM 0 HG SER A 8 0.268 -1.759 12.373 1.00 0.00 H new ATOM 109 N LYS A 9 1.807 -1.757 8.328 1.00 0.00 N ATOM 110 CA LYS A 9 2.337 -2.982 7.614 1.00 0.00 C ATOM 111 C LYS A 9 2.856 -2.667 6.177 1.00 0.00 C ATOM 112 O LYS A 9 3.206 -3.571 5.447 1.00 0.00 O ATOM 113 CB LYS A 9 1.256 -4.106 7.436 1.00 0.00 C ATOM 114 CG LYS A 9 0.171 -4.265 8.544 1.00 0.00 C ATOM 115 CD LYS A 9 0.667 -3.958 9.973 1.00 0.00 C ATOM 116 CE LYS A 9 1.952 -4.665 10.384 1.00 0.00 C ATOM 117 NZ LYS A 9 2.605 -3.773 11.397 1.00 0.00 N ATOM 0 H LYS A 9 0.991 -1.309 7.911 1.00 0.00 H new ATOM 0 HA LYS A 9 3.147 -3.321 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.743 -3.928 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.778 -5.058 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.665 -3.605 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.211 -5.285 8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.819 -2.882 10.063 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.119 -4.229 10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.740 -5.647 10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.603 -4.823 9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.041 -4.354 12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.337 -3.199 10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.890 -3.147 11.820 1.00 0.00 H new ATOM 131 N MET A 10 2.893 -1.421 5.783 1.00 0.00 N ATOM 132 CA MET A 10 3.378 -1.031 4.415 1.00 0.00 C ATOM 133 C MET A 10 4.489 0.041 4.459 1.00 0.00 C ATOM 134 O MET A 10 4.974 0.513 3.442 1.00 0.00 O ATOM 135 CB MET A 10 2.146 -0.541 3.634 1.00 0.00 C ATOM 136 CG MET A 10 1.047 -1.652 3.641 1.00 0.00 C ATOM 137 SD MET A 10 0.228 -1.905 2.054 1.00 0.00 S ATOM 138 CE MET A 10 1.607 -2.873 1.395 1.00 0.00 C ATOM 0 H MET A 10 2.601 -0.635 6.363 1.00 0.00 H new ATOM 0 HA MET A 10 3.838 -1.889 3.924 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.757 0.373 4.084 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.425 -0.298 2.609 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.501 -2.592 3.955 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.295 -1.396 4.387 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.444 -3.064 0.334 1.00 0.00 H new ATOM 0 HE2 MET A 10 2.536 -2.318 1.525 1.00 0.00 H new ATOM 0 HE3 MET A 10 1.673 -3.821 1.928 1.00 0.00 H new ATOM 148 N LYS A 11 4.880 0.406 5.654 1.00 0.00 N ATOM 149 CA LYS A 11 5.946 1.423 5.776 1.00 0.00 C ATOM 150 C LYS A 11 7.192 0.916 5.075 1.00 0.00 C ATOM 151 O LYS A 11 7.661 1.627 4.208 1.00 0.00 O ATOM 152 CB LYS A 11 6.237 1.708 7.274 1.00 0.00 C ATOM 153 CG LYS A 11 7.432 2.713 7.337 1.00 0.00 C ATOM 154 CD LYS A 11 7.024 4.153 6.841 1.00 0.00 C ATOM 155 CE LYS A 11 6.021 4.776 7.817 1.00 0.00 C ATOM 156 NZ LYS A 11 5.477 6.056 7.246 1.00 0.00 N ATOM 0 H LYS A 11 4.509 0.045 6.533 1.00 0.00 H new ATOM 0 HA LYS A 11 5.626 2.355 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.357 2.127 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.484 0.785 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.800 2.774 8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.253 2.338 6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.909 4.785 6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.586 4.093 5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.206 4.078 8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.505 4.972 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.772 6.455 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.253 6.736 7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.029 5.863 6.328 1.00 0.00 H new ATOM 170 N PRO A 12 7.715 -0.246 5.408 1.00 0.00 N ATOM 171 CA PRO A 12 8.836 -0.836 4.627 1.00 0.00 C ATOM 172 C PRO A 12 8.616 -0.774 3.098 1.00 0.00 C ATOM 173 O PRO A 12 9.576 -0.829 2.352 1.00 0.00 O ATOM 174 CB PRO A 12 8.951 -2.248 5.220 1.00 0.00 C ATOM 175 CG PRO A 12 7.539 -2.461 5.850 1.00 0.00 C ATOM 176 CD PRO A 12 7.295 -1.144 6.527 1.00 0.00 C ATOM 0 HA PRO A 12 9.772 -0.285 4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.172 -2.993 4.456 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.743 -2.312 5.966 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.784 -2.677 5.094 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.529 -3.291 6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.254 -1.002 6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.897 -1.011 7.426 1.00 0.00 H new ATOM 184 N CYS A 13 7.393 -0.628 2.634 1.00 0.00 N ATOM 185 CA CYS A 13 7.226 -0.580 1.137 1.00 0.00 C ATOM 186 C CYS A 13 7.272 0.886 0.738 1.00 0.00 C ATOM 187 O CYS A 13 7.859 1.242 -0.263 1.00 0.00 O ATOM 188 CB CYS A 13 5.891 -1.226 0.718 1.00 0.00 C ATOM 189 SG CYS A 13 5.794 -3.033 0.744 1.00 0.00 S ATOM 0 H CYS A 13 6.542 -0.544 3.191 1.00 0.00 H new ATOM 0 HA CYS A 13 8.016 -1.140 0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.110 -0.838 1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.658 -0.891 -0.293 1.00 0.00 H new ATOM 194 N LEU A 14 6.652 1.733 1.502 1.00 0.00 N ATOM 195 CA LEU A 14 6.701 3.181 1.143 1.00 0.00 C ATOM 196 C LEU A 14 8.189 3.573 1.222 1.00 0.00 C ATOM 197 O LEU A 14 8.781 4.064 0.276 1.00 0.00 O ATOM 198 CB LEU A 14 5.845 3.936 2.157 1.00 0.00 C ATOM 199 CG LEU A 14 6.296 5.386 2.464 1.00 0.00 C ATOM 200 CD1 LEU A 14 6.406 6.201 1.172 1.00 0.00 C ATOM 201 CD2 LEU A 14 5.189 6.033 3.317 1.00 0.00 C ATOM 0 H LEU A 14 6.123 1.499 2.342 1.00 0.00 H new ATOM 0 HA LEU A 14 6.314 3.411 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.819 3.963 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.836 3.372 3.090 1.00 0.00 H new ATOM 0 HG LEU A 14 7.263 5.369 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.724 7.216 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.137 5.737 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.435 6.231 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.467 7.059 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.252 6.032 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.063 5.466 4.240 1.00 0.00 H new ATOM 213 N THR A 15 8.747 3.330 2.390 1.00 0.00 N ATOM 214 CA THR A 15 10.203 3.653 2.615 1.00 0.00 C ATOM 215 C THR A 15 10.888 3.059 1.393 1.00 0.00 C ATOM 216 O THR A 15 11.562 3.787 0.697 1.00 0.00 O ATOM 217 CB THR A 15 10.736 2.995 3.898 1.00 0.00 C ATOM 218 OG1 THR A 15 10.309 1.661 3.781 1.00 0.00 O ATOM 219 CG2 THR A 15 10.001 3.501 5.121 1.00 0.00 C ATOM 0 H THR A 15 8.264 2.926 3.192 1.00 0.00 H new ATOM 0 HA THR A 15 10.377 4.722 2.737 1.00 0.00 H new ATOM 0 HB THR A 15 11.807 3.171 4.002 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.362 1.598 4.026 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.401 3.017 6.012 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.133 4.580 5.204 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.940 3.271 5.029 1.00 0.00 H new ATOM 227 N TYR A 16 10.733 1.778 1.137 1.00 0.00 N ATOM 228 CA TYR A 16 11.385 1.192 -0.085 1.00 0.00 C ATOM 229 C TYR A 16 11.242 2.126 -1.325 1.00 0.00 C ATOM 230 O TYR A 16 12.230 2.568 -1.888 1.00 0.00 O ATOM 231 CB TYR A 16 10.717 -0.169 -0.335 1.00 0.00 C ATOM 232 CG TYR A 16 11.135 -0.899 -1.621 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.460 -1.013 -2.005 1.00 0.00 C ATOM 234 CD2 TYR A 16 10.156 -1.485 -2.410 1.00 0.00 C ATOM 235 CE1 TYR A 16 12.792 -1.706 -3.156 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.503 -2.175 -3.555 1.00 0.00 C ATOM 237 CZ TYR A 16 11.817 -2.287 -3.927 1.00 0.00 C ATOM 238 OH TYR A 16 12.141 -2.993 -5.061 1.00 0.00 O ATOM 0 H TYR A 16 10.196 1.124 1.707 1.00 0.00 H new ATOM 0 HA TYR A 16 12.457 1.077 0.077 1.00 0.00 H new ATOM 0 HB2 TYR A 16 10.932 -0.818 0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.637 -0.022 -0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.236 -0.560 -1.405 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.117 -1.401 -2.127 1.00 0.00 H new ATOM 0 HE1 TYR A 16 13.828 -1.790 -3.450 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.733 -2.629 -4.161 1.00 0.00 H new ATOM 0 HH TYR A 16 11.371 -3.528 -5.344 1.00 0.00 H new ATOM 248 N VAL A 17 10.035 2.436 -1.752 1.00 0.00 N ATOM 249 CA VAL A 17 9.932 3.336 -2.962 1.00 0.00 C ATOM 250 C VAL A 17 10.556 4.717 -2.783 1.00 0.00 C ATOM 251 O VAL A 17 11.141 5.164 -3.750 1.00 0.00 O ATOM 252 CB VAL A 17 8.441 3.523 -3.420 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.677 2.231 -3.269 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.670 4.652 -2.776 1.00 0.00 C ATOM 0 H VAL A 17 9.154 2.125 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 17 10.508 2.813 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 17 8.527 3.815 -4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.646 2.378 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.142 1.459 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.690 1.920 -2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.656 4.675 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.631 4.497 -1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.166 5.599 -2.989 1.00 0.00 H new ATOM 264 N GLN A 18 10.451 5.384 -1.654 1.00 0.00 N ATOM 265 CA GLN A 18 11.115 6.725 -1.600 1.00 0.00 C ATOM 266 C GLN A 18 12.634 6.570 -1.491 1.00 0.00 C ATOM 267 O GLN A 18 13.334 7.535 -1.720 1.00 0.00 O ATOM 268 CB GLN A 18 10.593 7.562 -0.392 1.00 0.00 C ATOM 269 CG GLN A 18 10.133 6.677 0.801 1.00 0.00 C ATOM 270 CD GLN A 18 9.841 7.462 2.083 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.376 6.933 3.067 1.00 0.00 O ATOM 272 NE2 GLN A 18 10.095 8.725 2.139 1.00 0.00 N ATOM 0 H GLN A 18 9.963 5.079 -0.812 1.00 0.00 H new ATOM 0 HA GLN A 18 10.871 7.250 -2.524 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.381 8.236 -0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.760 8.184 -0.720 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.236 6.130 0.510 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.905 5.936 1.009 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.487 9.203 1.328 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.904 9.246 2.995 1.00 0.00 H new ATOM 281 N GLY A 19 13.076 5.390 -1.135 1.00 0.00 N ATOM 282 CA GLY A 19 14.554 5.096 -1.001 1.00 0.00 C ATOM 283 C GLY A 19 15.035 4.846 0.431 1.00 0.00 C ATOM 284 O GLY A 19 16.178 5.092 0.750 1.00 0.00 O ATOM 0 H GLY A 19 12.470 4.597 -0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.792 4.221 -1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.115 5.933 -1.416 1.00 0.00 H new ATOM 288 N GLY A 20 14.166 4.357 1.262 1.00 0.00 N ATOM 289 CA GLY A 20 14.512 4.061 2.701 1.00 0.00 C ATOM 290 C GLY A 20 14.644 2.548 2.980 1.00 0.00 C ATOM 291 O GLY A 20 14.697 1.759 2.061 1.00 0.00 O ATOM 0 H GLY A 20 13.202 4.140 1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.449 4.557 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.743 4.481 3.350 1.00 0.00 H new ATOM 295 N PRO A 21 14.698 2.160 4.236 1.00 0.00 N ATOM 296 CA PRO A 21 14.788 0.717 4.665 1.00 0.00 C ATOM 297 C PRO A 21 13.971 -0.377 3.895 1.00 0.00 C ATOM 298 O PRO A 21 13.047 -0.948 4.443 1.00 0.00 O ATOM 299 CB PRO A 21 14.444 0.813 6.166 1.00 0.00 C ATOM 300 CG PRO A 21 15.114 2.154 6.560 1.00 0.00 C ATOM 301 CD PRO A 21 14.683 3.085 5.413 1.00 0.00 C ATOM 0 HA PRO A 21 15.775 0.323 4.423 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.368 0.827 6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.846 -0.027 6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.766 2.514 7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.198 2.063 6.625 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.695 3.511 5.584 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.372 3.920 5.284 1.00 0.00 H new ATOM 309 N GLY A 22 14.317 -0.639 2.661 1.00 0.00 N ATOM 310 CA GLY A 22 13.584 -1.681 1.850 1.00 0.00 C ATOM 311 C GLY A 22 14.464 -2.838 1.323 1.00 0.00 C ATOM 312 O GLY A 22 15.662 -2.853 1.507 1.00 0.00 O ATOM 0 H GLY A 22 15.081 -0.176 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.786 -2.101 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.109 -1.190 1.001 1.00 0.00 H new ATOM 316 N PRO A 23 13.855 -3.805 0.673 1.00 0.00 N ATOM 317 CA PRO A 23 12.395 -4.098 0.640 1.00 0.00 C ATOM 318 C PRO A 23 11.989 -5.311 1.523 1.00 0.00 C ATOM 319 O PRO A 23 11.393 -6.259 1.044 1.00 0.00 O ATOM 320 CB PRO A 23 12.212 -4.279 -0.829 1.00 0.00 C ATOM 321 CG PRO A 23 13.487 -5.094 -1.268 1.00 0.00 C ATOM 322 CD PRO A 23 14.580 -4.761 -0.199 1.00 0.00 C ATOM 0 HA PRO A 23 11.748 -3.333 1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.293 -4.821 -1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.152 -3.321 -1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.279 -6.164 -1.297 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.813 -4.805 -2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.906 -5.647 0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.469 -4.316 -0.646 1.00 0.00 H new ATOM 330 N SER A 24 12.348 -5.221 2.774 1.00 0.00 N ATOM 331 CA SER A 24 12.072 -6.260 3.832 1.00 0.00 C ATOM 332 C SER A 24 10.889 -7.258 3.686 1.00 0.00 C ATOM 333 O SER A 24 9.836 -6.982 3.139 1.00 0.00 O ATOM 334 CB SER A 24 11.919 -5.507 5.160 1.00 0.00 C ATOM 335 OG SER A 24 13.207 -4.917 5.297 1.00 0.00 O ATOM 0 H SER A 24 12.857 -4.415 3.136 1.00 0.00 H new ATOM 0 HA SER A 24 12.923 -6.935 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.127 -4.759 5.120 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.684 -6.177 5.987 1.00 0.00 H new ATOM 0 HG SER A 24 13.241 -4.394 6.125 1.00 0.00 H new ATOM 341 N GLY A 25 11.092 -8.439 4.225 1.00 0.00 N ATOM 342 CA GLY A 25 10.028 -9.512 4.162 1.00 0.00 C ATOM 343 C GLY A 25 8.751 -9.125 4.921 1.00 0.00 C ATOM 344 O GLY A 25 7.658 -9.528 4.565 1.00 0.00 O ATOM 0 H GLY A 25 11.948 -8.713 4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.780 -9.711 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.426 -10.438 4.577 1.00 0.00 H new ATOM 348 N GLU A 26 8.937 -8.356 5.964 1.00 0.00 N ATOM 349 CA GLU A 26 7.759 -7.923 6.768 1.00 0.00 C ATOM 350 C GLU A 26 6.797 -7.182 5.827 1.00 0.00 C ATOM 351 O GLU A 26 5.637 -7.556 5.770 1.00 0.00 O ATOM 352 CB GLU A 26 8.319 -7.066 7.979 1.00 0.00 C ATOM 353 CG GLU A 26 8.477 -5.520 7.774 1.00 0.00 C ATOM 354 CD GLU A 26 7.190 -4.769 8.192 1.00 0.00 C ATOM 355 OE1 GLU A 26 6.128 -5.119 7.702 1.00 0.00 O ATOM 356 OE2 GLU A 26 7.343 -3.857 8.989 1.00 0.00 O ATOM 0 H GLU A 26 9.841 -8.014 6.289 1.00 0.00 H new ATOM 0 HA GLU A 26 7.182 -8.740 7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.660 -7.224 8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.295 -7.469 8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.321 -5.156 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.701 -5.310 6.728 1.00 0.00 H new ATOM 363 N CYS A 27 7.269 -6.197 5.091 1.00 0.00 N ATOM 364 CA CYS A 27 6.305 -5.506 4.191 1.00 0.00 C ATOM 365 C CYS A 27 5.761 -6.504 3.202 1.00 0.00 C ATOM 366 O CYS A 27 4.571 -6.590 3.101 1.00 0.00 O ATOM 367 CB CYS A 27 6.891 -4.417 3.325 1.00 0.00 C ATOM 368 SG CYS A 27 5.524 -3.401 2.706 1.00 0.00 S ATOM 0 H CYS A 27 8.232 -5.860 5.076 1.00 0.00 H new ATOM 0 HA CYS A 27 5.574 -5.067 4.869 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.590 -3.808 3.899 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.451 -4.849 2.496 1.00 0.00 H new ATOM 373 N CYS A 28 6.586 -7.237 2.490 1.00 0.00 N ATOM 374 CA CYS A 28 6.028 -8.237 1.502 1.00 0.00 C ATOM 375 C CYS A 28 4.924 -9.163 2.044 1.00 0.00 C ATOM 376 O CYS A 28 3.898 -9.388 1.413 1.00 0.00 O ATOM 377 CB CYS A 28 7.158 -9.099 0.974 1.00 0.00 C ATOM 378 SG CYS A 28 8.219 -8.332 -0.267 1.00 0.00 S ATOM 0 H CYS A 28 7.604 -7.194 2.543 1.00 0.00 H new ATOM 0 HA CYS A 28 5.558 -7.635 0.724 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.779 -9.406 1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.729 -10.006 0.547 1.00 0.00 H new ATOM 383 N ASN A 29 5.137 -9.709 3.210 1.00 0.00 N ATOM 384 CA ASN A 29 4.069 -10.606 3.743 1.00 0.00 C ATOM 385 C ASN A 29 2.892 -9.694 4.105 1.00 0.00 C ATOM 386 O ASN A 29 1.774 -10.013 3.732 1.00 0.00 O ATOM 387 CB ASN A 29 4.659 -11.393 4.952 1.00 0.00 C ATOM 388 CG ASN A 29 4.753 -10.613 6.217 1.00 0.00 C ATOM 389 OD1 ASN A 29 3.777 -10.233 6.816 1.00 0.00 O ATOM 390 ND2 ASN A 29 5.900 -10.340 6.707 1.00 0.00 N ATOM 0 H ASN A 29 5.963 -9.583 3.795 1.00 0.00 H new ATOM 0 HA ASN A 29 3.716 -11.354 3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.043 -12.274 5.130 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.654 -11.748 4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.970 -9.816 7.579 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.746 -10.646 6.226 1.00 0.00 H new ATOM 397 N GLY A 30 3.155 -8.593 4.790 1.00 0.00 N ATOM 398 CA GLY A 30 2.051 -7.654 5.169 1.00 0.00 C ATOM 399 C GLY A 30 1.253 -7.441 3.895 1.00 0.00 C ATOM 400 O GLY A 30 0.087 -7.678 3.842 1.00 0.00 O ATOM 0 H GLY A 30 4.086 -8.311 5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.428 -8.077 5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.448 -6.712 5.547 1.00 0.00 H new ATOM 404 N VAL A 31 1.951 -6.999 2.903 1.00 0.00 N ATOM 405 CA VAL A 31 1.498 -6.697 1.516 1.00 0.00 C ATOM 406 C VAL A 31 0.493 -7.715 0.997 1.00 0.00 C ATOM 407 O VAL A 31 -0.610 -7.385 0.614 1.00 0.00 O ATOM 408 CB VAL A 31 2.794 -6.658 0.676 1.00 0.00 C ATOM 409 CG1 VAL A 31 2.603 -7.169 -0.723 1.00 0.00 C ATOM 410 CG2 VAL A 31 3.342 -5.266 0.538 1.00 0.00 C ATOM 0 H VAL A 31 2.947 -6.811 3.015 1.00 0.00 H new ATOM 0 HA VAL A 31 0.959 -5.751 1.465 1.00 0.00 H new ATOM 0 HB VAL A 31 3.482 -7.300 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.549 -7.116 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.262 -8.204 -0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.859 -6.559 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.253 -5.291 -0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.603 -4.631 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.568 -4.864 1.526 1.00 0.00 H new ATOM 420 N ARG A 32 0.900 -8.955 0.989 1.00 0.00 N ATOM 421 CA ARG A 32 0.028 -10.058 0.507 1.00 0.00 C ATOM 422 C ARG A 32 -1.271 -10.084 1.325 1.00 0.00 C ATOM 423 O ARG A 32 -2.376 -9.912 0.826 1.00 0.00 O ATOM 424 CB ARG A 32 0.840 -11.346 0.677 1.00 0.00 C ATOM 425 CG ARG A 32 0.253 -12.508 -0.148 1.00 0.00 C ATOM 426 CD ARG A 32 -1.248 -12.787 0.129 1.00 0.00 C ATOM 427 NE ARG A 32 -1.459 -13.117 1.591 1.00 0.00 N ATOM 428 CZ ARG A 32 -1.901 -14.243 2.037 1.00 0.00 C ATOM 429 NH1 ARG A 32 -2.915 -14.799 1.493 1.00 0.00 N ATOM 430 NH2 ARG A 32 -1.280 -14.734 3.030 1.00 0.00 N ATOM 0 H ARG A 32 1.823 -9.254 1.304 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.264 -9.933 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.871 -11.168 0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.863 -11.624 1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.381 -12.288 -1.208 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.824 -13.413 0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.843 -11.916 -0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.592 -13.615 -0.491 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.235 -12.394 2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.379 -14.352 0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.261 -15.690 1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.481 -14.239 3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.580 -15.623 3.430 1.00 0.00 H new ATOM 444 N ASP A 33 -1.059 -10.305 2.587 1.00 0.00 N ATOM 445 CA ASP A 33 -2.190 -10.370 3.543 1.00 0.00 C ATOM 446 C ASP A 33 -3.085 -9.156 3.299 1.00 0.00 C ATOM 447 O ASP A 33 -4.269 -9.317 3.117 1.00 0.00 O ATOM 448 CB ASP A 33 -1.463 -10.486 4.881 1.00 0.00 C ATOM 449 CG ASP A 33 -0.898 -11.907 4.953 1.00 0.00 C ATOM 450 OD1 ASP A 33 -0.351 -12.380 3.960 1.00 0.00 O ATOM 451 OD2 ASP A 33 -1.060 -12.462 6.017 1.00 0.00 O ATOM 0 H ASP A 33 -0.138 -10.445 3.002 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.897 -11.196 3.466 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.664 -9.748 4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.146 -10.298 5.710 1.00 0.00 H new ATOM 456 N LEU A 34 -2.485 -8.002 3.300 1.00 0.00 N ATOM 457 CA LEU A 34 -3.089 -6.667 3.073 1.00 0.00 C ATOM 458 C LEU A 34 -3.954 -6.919 1.830 1.00 0.00 C ATOM 459 O LEU A 34 -5.146 -6.718 1.897 1.00 0.00 O ATOM 460 CB LEU A 34 -1.946 -5.634 2.786 1.00 0.00 C ATOM 461 CG LEU A 34 -1.617 -4.502 3.829 1.00 0.00 C ATOM 462 CD1 LEU A 34 -2.709 -3.433 4.045 1.00 0.00 C ATOM 463 CD2 LEU A 34 -1.232 -5.077 5.171 1.00 0.00 C ATOM 0 H LEU A 34 -1.482 -7.935 3.470 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.660 -6.263 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.030 -6.203 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.184 -5.144 1.842 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.777 -3.985 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.368 -2.708 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.910 -2.923 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.621 -3.912 4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.012 -4.266 5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.056 -5.674 5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.349 -5.707 5.057 1.00 0.00 H new ATOM 475 N HIS A 35 -3.372 -7.366 0.740 1.00 0.00 N ATOM 476 CA HIS A 35 -4.198 -7.613 -0.480 1.00 0.00 C ATOM 477 C HIS A 35 -5.370 -8.580 -0.211 1.00 0.00 C ATOM 478 O HIS A 35 -6.369 -8.567 -0.900 1.00 0.00 O ATOM 479 CB HIS A 35 -3.249 -8.155 -1.557 1.00 0.00 C ATOM 480 CG HIS A 35 -3.679 -7.596 -2.911 1.00 0.00 C ATOM 481 ND1 HIS A 35 -4.871 -7.608 -3.418 1.00 0.00 N ATOM 482 CD2 HIS A 35 -2.907 -6.961 -3.854 1.00 0.00 C ATOM 483 CE1 HIS A 35 -4.847 -7.032 -4.581 1.00 0.00 C ATOM 484 NE2 HIS A 35 -3.645 -6.616 -4.885 1.00 0.00 N ATOM 0 H HIS A 35 -2.376 -7.567 0.645 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.667 -6.686 -0.809 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.222 -7.865 -1.337 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.276 -9.245 -1.572 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.698 -8.007 -2.974 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.848 -6.773 -3.761 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.711 -6.911 -5.218 1.00 0.00 H new ATOM 492 N ASN A 36 -5.228 -9.403 0.789 1.00 0.00 N ATOM 493 CA ASN A 36 -6.306 -10.388 1.141 1.00 0.00 C ATOM 494 C ASN A 36 -7.213 -9.924 2.298 1.00 0.00 C ATOM 495 O ASN A 36 -8.214 -10.555 2.567 1.00 0.00 O ATOM 496 CB ASN A 36 -5.629 -11.753 1.505 1.00 0.00 C ATOM 497 CG ASN A 36 -4.894 -12.361 0.317 1.00 0.00 C ATOM 498 OD1 ASN A 36 -4.822 -13.556 0.141 1.00 0.00 O ATOM 499 ND2 ASN A 36 -4.301 -11.634 -0.565 1.00 0.00 N ATOM 0 H ASN A 36 -4.404 -9.441 1.389 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.957 -10.487 0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.928 -11.602 2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.388 -12.451 1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.814 -12.075 -1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.318 -10.617 -0.483 1.00 0.00 H new ATOM 506 N GLN A 37 -6.852 -8.848 2.943 1.00 0.00 N ATOM 507 CA GLN A 37 -7.686 -8.330 4.089 1.00 0.00 C ATOM 508 C GLN A 37 -8.259 -6.946 3.854 1.00 0.00 C ATOM 509 O GLN A 37 -9.328 -6.656 4.343 1.00 0.00 O ATOM 510 CB GLN A 37 -6.899 -8.237 5.435 1.00 0.00 C ATOM 511 CG GLN A 37 -5.441 -7.762 5.240 1.00 0.00 C ATOM 512 CD GLN A 37 -4.417 -8.741 5.797 1.00 0.00 C ATOM 513 OE1 GLN A 37 -3.269 -8.398 5.944 1.00 0.00 O ATOM 514 NE2 GLN A 37 -4.744 -9.949 6.119 1.00 0.00 N ATOM 0 H GLN A 37 -6.018 -8.299 2.733 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.484 -9.070 4.151 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.414 -7.550 6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.897 -9.214 5.919 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.252 -7.613 4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.312 -6.795 5.725 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.707 -10.264 6.005 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.039 -10.587 6.488 1.00 0.00 H new ATOM 523 N ALA A 38 -7.557 -6.151 3.094 1.00 0.00 N ATOM 524 CA ALA A 38 -8.015 -4.765 2.796 1.00 0.00 C ATOM 525 C ALA A 38 -9.135 -4.777 1.719 1.00 0.00 C ATOM 526 O ALA A 38 -9.343 -3.822 0.991 1.00 0.00 O ATOM 527 CB ALA A 38 -6.749 -3.983 2.345 1.00 0.00 C ATOM 0 H ALA A 38 -6.671 -6.408 2.660 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.460 -4.282 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.021 -2.954 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.012 -3.990 3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.325 -4.456 1.459 1.00 0.00 H new ATOM 533 N GLN A 39 -9.811 -5.904 1.691 1.00 0.00 N ATOM 534 CA GLN A 39 -10.956 -6.212 0.784 1.00 0.00 C ATOM 535 C GLN A 39 -12.123 -6.458 1.795 1.00 0.00 C ATOM 536 O GLN A 39 -12.959 -7.332 1.671 1.00 0.00 O ATOM 537 CB GLN A 39 -10.567 -7.483 -0.087 1.00 0.00 C ATOM 538 CG GLN A 39 -10.305 -8.766 0.764 1.00 0.00 C ATOM 539 CD GLN A 39 -9.964 -9.956 -0.154 1.00 0.00 C ATOM 540 OE1 GLN A 39 -10.654 -10.948 -0.232 1.00 0.00 O ATOM 541 NE2 GLN A 39 -8.906 -9.942 -0.895 1.00 0.00 N ATOM 0 H GLN A 39 -9.589 -6.680 2.315 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.228 -5.443 0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.368 -7.686 -0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.675 -7.255 -0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.485 -8.588 1.460 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.186 -9.000 1.362 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.281 -9.136 -0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.695 -10.737 -1.498 1.00 0.00 H new ATOM 550 N SER A 40 -12.102 -5.599 2.789 1.00 0.00 N ATOM 551 CA SER A 40 -13.099 -5.591 3.921 1.00 0.00 C ATOM 552 C SER A 40 -13.843 -4.247 3.885 1.00 0.00 C ATOM 553 O SER A 40 -14.021 -3.608 4.901 1.00 0.00 O ATOM 554 CB SER A 40 -12.366 -5.725 5.294 1.00 0.00 C ATOM 555 OG SER A 40 -11.827 -7.041 5.318 1.00 0.00 O ATOM 0 H SER A 40 -11.399 -4.864 2.867 1.00 0.00 H new ATOM 0 HA SER A 40 -13.789 -6.428 3.809 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.578 -4.978 5.391 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.057 -5.570 6.123 1.00 0.00 H new ATOM 0 HG SER A 40 -10.945 -7.041 4.891 1.00 0.00 H new ATOM 561 N SER A 41 -14.259 -3.899 2.690 1.00 0.00 N ATOM 562 CA SER A 41 -15.010 -2.628 2.336 1.00 0.00 C ATOM 563 C SER A 41 -14.295 -2.083 1.074 1.00 0.00 C ATOM 564 O SER A 41 -14.151 -2.814 0.108 1.00 0.00 O ATOM 565 CB SER A 41 -14.911 -1.598 3.513 1.00 0.00 C ATOM 566 OG SER A 41 -15.463 -0.396 2.987 1.00 0.00 O ATOM 0 H SER A 41 -14.097 -4.491 1.875 1.00 0.00 H new ATOM 0 HA SER A 41 -16.071 -2.807 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.466 -1.940 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.877 -1.455 3.828 1.00 0.00 H new ATOM 0 HG SER A 41 -15.437 0.303 3.673 1.00 0.00 H new ATOM 572 N GLY A 42 -13.876 -0.846 1.079 1.00 0.00 N ATOM 573 CA GLY A 42 -13.151 -0.199 -0.075 1.00 0.00 C ATOM 574 C GLY A 42 -11.782 0.250 0.461 1.00 0.00 C ATOM 575 O GLY A 42 -11.144 1.155 -0.039 1.00 0.00 O ATOM 0 H GLY A 42 -14.010 -0.221 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.032 -0.901 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.715 0.652 -0.458 1.00 0.00 H new ATOM 579 N ASP A 43 -11.379 -0.424 1.502 1.00 0.00 N ATOM 580 CA ASP A 43 -10.084 -0.182 2.211 1.00 0.00 C ATOM 581 C ASP A 43 -8.943 0.111 1.225 1.00 0.00 C ATOM 582 O ASP A 43 -8.381 1.190 1.249 1.00 0.00 O ATOM 583 CB ASP A 43 -9.736 -1.423 3.064 1.00 0.00 C ATOM 584 CG ASP A 43 -10.960 -2.145 3.601 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.580 -2.759 2.742 1.00 0.00 O ATOM 586 OD2 ASP A 43 -11.201 -2.060 4.788 1.00 0.00 O ATOM 0 H ASP A 43 -11.928 -1.178 1.915 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.200 0.694 2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.149 -2.116 2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.108 -1.116 3.900 1.00 0.00 H new ATOM 591 N ARG A 44 -8.598 -0.834 0.371 1.00 0.00 N ATOM 592 CA ARG A 44 -7.498 -0.531 -0.579 1.00 0.00 C ATOM 593 C ARG A 44 -7.793 0.820 -1.278 1.00 0.00 C ATOM 594 O ARG A 44 -6.906 1.627 -1.309 1.00 0.00 O ATOM 595 CB ARG A 44 -7.326 -1.601 -1.692 1.00 0.00 C ATOM 596 CG ARG A 44 -8.289 -2.776 -1.771 1.00 0.00 C ATOM 597 CD ARG A 44 -9.673 -2.197 -2.082 1.00 0.00 C ATOM 598 NE ARG A 44 -10.631 -3.338 -2.142 1.00 0.00 N ATOM 599 CZ ARG A 44 -11.690 -3.369 -1.455 1.00 0.00 C ATOM 600 NH1 ARG A 44 -11.617 -3.183 -0.202 1.00 0.00 N ATOM 601 NH2 ARG A 44 -12.768 -3.592 -2.082 1.00 0.00 N ATOM 0 H ARG A 44 -9.017 -1.761 0.299 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.581 -0.508 0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.368 -1.082 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.321 -2.011 -1.595 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.980 -3.477 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.303 -3.327 -0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.972 -1.485 -1.313 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.659 -1.657 -3.029 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.423 -4.122 -2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.712 -3.012 0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.463 -3.205 0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.750 -3.736 -3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.654 -3.628 -1.577 1.00 0.00 H new ATOM 615 N GLN A 45 -8.958 1.093 -1.834 1.00 0.00 N ATOM 616 CA GLN A 45 -9.164 2.438 -2.484 1.00 0.00 C ATOM 617 C GLN A 45 -8.722 3.525 -1.450 1.00 0.00 C ATOM 618 O GLN A 45 -7.988 4.431 -1.822 1.00 0.00 O ATOM 619 CB GLN A 45 -10.676 2.501 -2.907 1.00 0.00 C ATOM 620 CG GLN A 45 -10.999 1.236 -3.793 1.00 0.00 C ATOM 621 CD GLN A 45 -12.234 1.433 -4.666 1.00 0.00 C ATOM 622 OE1 GLN A 45 -13.341 1.572 -4.199 1.00 0.00 O ATOM 623 NE2 GLN A 45 -12.079 1.441 -5.946 1.00 0.00 N ATOM 0 H GLN A 45 -9.757 0.460 -1.867 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.571 2.609 -3.382 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.316 2.519 -2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.876 3.416 -3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.141 1.013 -4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.150 0.372 -3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.149 1.324 -6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.887 1.564 -6.557 1.00 0.00 H new ATOM 632 N THR A 46 -9.172 3.406 -0.205 1.00 0.00 N ATOM 633 CA THR A 46 -8.766 4.412 0.880 1.00 0.00 C ATOM 634 C THR A 46 -7.218 4.524 0.778 1.00 0.00 C ATOM 635 O THR A 46 -6.638 5.594 0.752 1.00 0.00 O ATOM 636 CB THR A 46 -9.141 3.902 2.366 1.00 0.00 C ATOM 637 OG1 THR A 46 -10.107 4.768 2.969 1.00 0.00 O ATOM 638 CG2 THR A 46 -8.022 4.132 3.395 1.00 0.00 C ATOM 0 H THR A 46 -9.798 2.665 0.112 1.00 0.00 H new ATOM 0 HA THR A 46 -9.289 5.356 0.725 1.00 0.00 H new ATOM 0 HB THR A 46 -9.418 2.861 2.200 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.441 4.360 3.795 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.343 3.766 4.370 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.125 3.596 3.083 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.803 5.198 3.462 1.00 0.00 H new ATOM 646 N VAL A 47 -6.611 3.362 0.722 1.00 0.00 N ATOM 647 CA VAL A 47 -5.109 3.242 0.617 1.00 0.00 C ATOM 648 C VAL A 47 -4.549 3.936 -0.641 1.00 0.00 C ATOM 649 O VAL A 47 -3.679 4.769 -0.553 1.00 0.00 O ATOM 650 CB VAL A 47 -4.736 1.723 0.612 1.00 0.00 C ATOM 651 CG1 VAL A 47 -3.933 1.241 -0.615 1.00 0.00 C ATOM 652 CG2 VAL A 47 -3.943 1.368 1.833 1.00 0.00 C ATOM 0 H VAL A 47 -7.100 2.467 0.745 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.660 3.746 1.473 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.703 1.220 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.727 0.175 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.512 1.418 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.992 1.789 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.694 0.307 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.025 1.956 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.532 1.583 2.725 1.00 0.00 H new ATOM 662 N CYS A 48 -5.056 3.556 -1.779 1.00 0.00 N ATOM 663 CA CYS A 48 -4.653 4.112 -3.112 1.00 0.00 C ATOM 664 C CYS A 48 -4.596 5.621 -2.970 1.00 0.00 C ATOM 665 O CYS A 48 -3.668 6.269 -3.406 1.00 0.00 O ATOM 666 CB CYS A 48 -5.693 3.662 -4.113 1.00 0.00 C ATOM 667 SG CYS A 48 -5.740 4.499 -5.709 1.00 0.00 S ATOM 0 H CYS A 48 -5.778 2.839 -1.846 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.677 3.765 -3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.543 2.598 -4.297 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.673 3.770 -3.649 1.00 0.00 H new ATOM 672 N ASN A 49 -5.626 6.119 -2.347 1.00 0.00 N ATOM 673 CA ASN A 49 -5.727 7.579 -2.098 1.00 0.00 C ATOM 674 C ASN A 49 -4.552 7.958 -1.164 1.00 0.00 C ATOM 675 O ASN A 49 -3.916 8.967 -1.406 1.00 0.00 O ATOM 676 CB ASN A 49 -7.116 7.840 -1.474 1.00 0.00 C ATOM 677 CG ASN A 49 -8.111 7.909 -2.618 1.00 0.00 C ATOM 678 OD1 ASN A 49 -8.657 8.942 -2.932 1.00 0.00 O ATOM 679 ND2 ASN A 49 -8.414 6.864 -3.307 1.00 0.00 N ATOM 0 H ASN A 49 -6.410 5.569 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.650 8.190 -2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.382 7.044 -0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.115 8.771 -0.907 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.084 6.935 -4.073 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.984 5.966 -3.087 1.00 0.00 H new ATOM 686 N CYS A 50 -4.257 7.191 -0.129 1.00 0.00 N ATOM 687 CA CYS A 50 -3.110 7.555 0.770 1.00 0.00 C ATOM 688 C CYS A 50 -1.834 7.640 -0.120 1.00 0.00 C ATOM 689 O CYS A 50 -1.102 8.624 -0.136 1.00 0.00 O ATOM 690 CB CYS A 50 -2.999 6.450 1.837 1.00 0.00 C ATOM 691 SG CYS A 50 -4.526 5.812 2.569 1.00 0.00 S ATOM 0 H CYS A 50 -4.757 6.339 0.127 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.245 8.512 1.274 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.467 5.609 1.392 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.375 6.830 2.646 1.00 0.00 H new ATOM 696 N LEU A 51 -1.614 6.571 -0.862 1.00 0.00 N ATOM 697 CA LEU A 51 -0.442 6.455 -1.793 1.00 0.00 C ATOM 698 C LEU A 51 -0.431 7.736 -2.588 1.00 0.00 C ATOM 699 O LEU A 51 0.500 8.498 -2.510 1.00 0.00 O ATOM 700 CB LEU A 51 -0.609 5.251 -2.774 1.00 0.00 C ATOM 701 CG LEU A 51 -0.962 3.973 -2.028 1.00 0.00 C ATOM 702 CD1 LEU A 51 -0.878 2.793 -2.984 1.00 0.00 C ATOM 703 CD2 LEU A 51 -0.043 3.763 -0.858 1.00 0.00 C ATOM 0 H LEU A 51 -2.220 5.751 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 51 0.479 6.292 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.389 5.477 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.315 5.104 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.978 4.058 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.130 1.875 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.578 2.940 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.135 2.716 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.316 2.843 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.985 3.689 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.131 4.605 -0.171 1.00 0.00 H new ATOM 715 N LYS A 52 -1.481 7.936 -3.332 1.00 0.00 N ATOM 716 CA LYS A 52 -1.640 9.157 -4.178 1.00 0.00 C ATOM 717 C LYS A 52 -1.101 10.426 -3.493 1.00 0.00 C ATOM 718 O LYS A 52 -0.282 11.141 -4.043 1.00 0.00 O ATOM 719 CB LYS A 52 -3.150 9.313 -4.511 1.00 0.00 C ATOM 720 CG LYS A 52 -3.437 8.864 -5.982 1.00 0.00 C ATOM 721 CD LYS A 52 -3.112 9.946 -7.093 1.00 0.00 C ATOM 722 CE LYS A 52 -1.790 10.709 -6.913 1.00 0.00 C ATOM 723 NZ LYS A 52 -1.664 11.688 -8.032 1.00 0.00 N ATOM 0 H LYS A 52 -2.263 7.283 -3.392 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.052 9.034 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.744 8.715 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.453 10.351 -4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.855 7.966 -6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.489 8.589 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.095 9.450 -8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.927 10.669 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.776 11.225 -5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.948 10.017 -6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.669 11.750 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.245 11.374 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.990 12.623 -7.714 1.00 0.00 H new ATOM 737 N GLY A 53 -1.576 10.655 -2.294 1.00 0.00 N ATOM 738 CA GLY A 53 -1.130 11.865 -1.532 1.00 0.00 C ATOM 739 C GLY A 53 0.369 11.904 -1.327 1.00 0.00 C ATOM 740 O GLY A 53 1.001 12.862 -1.721 1.00 0.00 O ATOM 0 H GLY A 53 -2.250 10.061 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.443 12.762 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.626 11.882 -0.562 1.00 0.00 H new ATOM 744 N ILE A 54 0.942 10.889 -0.740 1.00 0.00 N ATOM 745 CA ILE A 54 2.439 10.964 -0.545 1.00 0.00 C ATOM 746 C ILE A 54 3.135 10.994 -1.924 1.00 0.00 C ATOM 747 O ILE A 54 4.034 11.762 -2.230 1.00 0.00 O ATOM 748 CB ILE A 54 2.843 9.743 0.296 1.00 0.00 C ATOM 749 CG1 ILE A 54 4.103 10.129 1.118 1.00 0.00 C ATOM 750 CG2 ILE A 54 3.125 8.477 -0.567 1.00 0.00 C ATOM 751 CD1 ILE A 54 4.492 9.001 2.056 1.00 0.00 C ATOM 0 H ILE A 54 0.478 10.047 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 54 2.744 11.871 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 54 2.011 9.480 0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.930 10.351 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.907 11.035 1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.405 7.648 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.228 8.211 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.939 8.684 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.377 9.289 2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.670 8.799 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.709 8.104 1.476 1.00 0.00 H new ATOM 763 N ALA A 55 2.647 10.104 -2.738 1.00 0.00 N ATOM 764 CA ALA A 55 3.123 9.916 -4.137 1.00 0.00 C ATOM 765 C ALA A 55 3.176 11.292 -4.781 1.00 0.00 C ATOM 766 O ALA A 55 3.942 11.480 -5.706 1.00 0.00 O ATOM 767 CB ALA A 55 2.156 8.999 -4.845 1.00 0.00 C ATOM 0 H ALA A 55 1.897 9.465 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 55 4.113 9.463 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.485 8.847 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.121 8.039 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.163 9.448 -4.845 1.00 0.00 H new ATOM 773 N ARG A 56 2.331 12.190 -4.293 1.00 0.00 N ATOM 774 CA ARG A 56 2.280 13.611 -4.795 1.00 0.00 C ATOM 775 C ARG A 56 3.680 14.038 -5.283 1.00 0.00 C ATOM 776 O ARG A 56 3.782 14.719 -6.285 1.00 0.00 O ATOM 777 CB ARG A 56 1.843 14.591 -3.664 1.00 0.00 C ATOM 778 CG ARG A 56 2.128 16.091 -4.044 1.00 0.00 C ATOM 779 CD ARG A 56 1.332 16.532 -5.286 1.00 0.00 C ATOM 780 NE ARG A 56 1.963 17.826 -5.737 1.00 0.00 N ATOM 781 CZ ARG A 56 2.403 18.024 -6.927 1.00 0.00 C ATOM 782 NH1 ARG A 56 3.112 17.131 -7.497 1.00 0.00 N ATOM 783 NH2 ARG A 56 2.107 19.126 -7.493 1.00 0.00 N ATOM 0 H ARG A 56 1.661 11.988 -3.551 1.00 0.00 H new ATOM 0 HA ARG A 56 1.556 13.652 -5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.779 14.463 -3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.372 14.343 -2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.871 16.734 -3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.194 16.221 -4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.382 15.778 -6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.278 16.673 -5.046 1.00 0.00 H new ATOM 0 HE ARG A 56 2.045 18.585 -5.060 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.328 16.262 -7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.463 17.285 -8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.538 19.815 -7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.439 19.319 -8.438 1.00 0.00 H new ATOM 797 N GLY A 57 4.663 13.617 -4.509 1.00 0.00 N ATOM 798 CA GLY A 57 6.127 13.886 -4.760 1.00 0.00 C ATOM 799 C GLY A 57 7.053 13.480 -3.583 1.00 0.00 C ATOM 800 O GLY A 57 8.117 14.033 -3.412 1.00 0.00 O ATOM 0 H GLY A 57 4.498 13.067 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.437 13.347 -5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.261 14.948 -4.965 1.00 0.00 H new ATOM 804 N ILE A 58 6.633 12.517 -2.806 1.00 0.00 N ATOM 805 CA ILE A 58 7.392 11.985 -1.608 1.00 0.00 C ATOM 806 C ILE A 58 8.840 12.451 -1.295 1.00 0.00 C ATOM 807 O ILE A 58 9.040 13.423 -0.601 1.00 0.00 O ATOM 808 CB ILE A 58 7.476 10.406 -1.638 1.00 0.00 C ATOM 809 CG1 ILE A 58 6.174 9.733 -2.022 1.00 0.00 C ATOM 810 CG2 ILE A 58 7.922 9.963 -0.202 1.00 0.00 C ATOM 811 CD1 ILE A 58 6.342 8.199 -1.945 1.00 0.00 C ATOM 0 H ILE A 58 5.742 12.044 -2.955 1.00 0.00 H new ATOM 0 HA ILE A 58 6.772 12.429 -0.829 1.00 0.00 H new ATOM 0 HB ILE A 58 8.185 10.099 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.375 10.056 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.884 10.027 -3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.997 8.876 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.892 10.402 0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.187 10.302 0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.405 7.716 -2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.129 7.884 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.611 7.913 -0.928 1.00 0.00 H new ATOM 823 N HIS A 59 9.801 11.724 -1.804 1.00 0.00 N ATOM 824 CA HIS A 59 11.277 11.957 -1.637 1.00 0.00 C ATOM 825 C HIS A 59 11.959 11.687 -2.995 1.00 0.00 C ATOM 826 O HIS A 59 12.210 12.562 -3.798 1.00 0.00 O ATOM 827 CB HIS A 59 11.680 10.966 -0.524 1.00 0.00 C ATOM 828 CG HIS A 59 11.646 11.603 0.855 1.00 0.00 C ATOM 829 ND1 HIS A 59 10.815 12.504 1.244 1.00 0.00 N ATOM 830 CD2 HIS A 59 12.443 11.373 1.959 1.00 0.00 C ATOM 831 CE1 HIS A 59 11.059 12.818 2.477 1.00 0.00 C ATOM 832 NE2 HIS A 59 12.065 12.137 2.963 1.00 0.00 N ATOM 0 H HIS A 59 9.603 10.906 -2.380 1.00 0.00 H new ATOM 0 HA HIS A 59 11.567 12.969 -1.356 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.007 10.109 -0.543 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.683 10.588 -0.723 1.00 0.00 H new ATOM 0 HD1 HIS A 59 10.076 12.910 0.669 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.260 10.667 1.994 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.499 13.553 3.036 1.00 0.00 H new ATOM 840 N ASN A 60 12.246 10.425 -3.182 1.00 0.00 N ATOM 841 CA ASN A 60 12.892 9.942 -4.433 1.00 0.00 C ATOM 842 C ASN A 60 12.029 8.777 -4.936 1.00 0.00 C ATOM 843 O ASN A 60 12.513 7.686 -5.163 1.00 0.00 O ATOM 844 CB ASN A 60 14.346 9.496 -4.107 1.00 0.00 C ATOM 845 CG ASN A 60 15.315 10.670 -4.099 1.00 0.00 C ATOM 846 OD1 ASN A 60 16.498 10.506 -3.927 1.00 0.00 O ATOM 847 ND2 ASN A 60 14.929 11.891 -4.274 1.00 0.00 N ATOM 0 H ASN A 60 12.053 9.692 -2.500 1.00 0.00 H new ATOM 0 HA ASN A 60 12.958 10.711 -5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.365 9.004 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.673 8.761 -4.842 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.612 12.649 -4.262 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.941 12.097 -4.425 1.00 0.00 H new ATOM 854 N LEU A 61 10.751 9.058 -5.075 1.00 0.00 N ATOM 855 CA LEU A 61 9.794 8.006 -5.565 1.00 0.00 C ATOM 856 C LEU A 61 10.422 7.141 -6.691 1.00 0.00 C ATOM 857 O LEU A 61 10.465 7.502 -7.852 1.00 0.00 O ATOM 858 CB LEU A 61 8.502 8.692 -6.074 1.00 0.00 C ATOM 859 CG LEU A 61 7.652 7.697 -6.915 1.00 0.00 C ATOM 860 CD1 LEU A 61 7.403 6.368 -6.166 1.00 0.00 C ATOM 861 CD2 LEU A 61 6.293 8.343 -7.192 1.00 0.00 C ATOM 0 H LEU A 61 10.330 9.965 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 61 9.559 7.339 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.918 9.054 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.759 9.562 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 61 8.198 7.477 -7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.806 5.704 -6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.358 5.893 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.870 6.568 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.680 7.662 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.793 8.557 -6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.437 9.271 -7.745 1.00 0.00 H new ATOM 873 N ASN A 62 10.885 5.999 -6.313 1.00 0.00 N ATOM 874 CA ASN A 62 11.525 5.058 -7.257 1.00 0.00 C ATOM 875 C ASN A 62 10.461 4.133 -7.869 1.00 0.00 C ATOM 876 O ASN A 62 10.642 2.935 -7.865 1.00 0.00 O ATOM 877 CB ASN A 62 12.598 4.374 -6.363 1.00 0.00 C ATOM 878 CG ASN A 62 13.591 3.511 -7.127 1.00 0.00 C ATOM 879 OD1 ASN A 62 14.722 3.324 -6.746 1.00 0.00 O ATOM 880 ND2 ASN A 62 13.260 2.931 -8.226 1.00 0.00 N ATOM 0 H ASN A 62 10.846 5.663 -5.351 1.00 0.00 H new ATOM 0 HA ASN A 62 11.995 5.496 -8.138 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.146 5.144 -5.820 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.094 3.756 -5.619 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.938 2.353 -8.722 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.319 3.049 -8.602 1.00 0.00 H new ATOM 887 N LEU A 63 9.393 4.713 -8.368 1.00 0.00 N ATOM 888 CA LEU A 63 8.265 3.930 -9.000 1.00 0.00 C ATOM 889 C LEU A 63 8.610 2.489 -9.419 1.00 0.00 C ATOM 890 O LEU A 63 7.978 1.544 -9.004 1.00 0.00 O ATOM 891 CB LEU A 63 7.773 4.726 -10.230 1.00 0.00 C ATOM 892 CG LEU A 63 6.699 5.735 -9.814 1.00 0.00 C ATOM 893 CD1 LEU A 63 6.480 6.715 -10.955 1.00 0.00 C ATOM 894 CD2 LEU A 63 5.372 4.994 -9.593 1.00 0.00 C ATOM 0 H LEU A 63 9.247 5.723 -8.366 1.00 0.00 H new ATOM 0 HA LEU A 63 7.497 3.816 -8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.611 5.247 -10.694 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.370 4.042 -10.977 1.00 0.00 H new ATOM 0 HG LEU A 63 7.016 6.248 -8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.717 7.439 -10.671 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.413 7.236 -11.171 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.153 6.173 -11.843 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.602 5.707 -9.296 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.073 4.500 -10.518 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.498 4.248 -8.808 1.00 0.00 H new ATOM 906 N ASN A 64 9.618 2.376 -10.242 1.00 0.00 N ATOM 907 CA ASN A 64 10.111 1.041 -10.755 1.00 0.00 C ATOM 908 C ASN A 64 10.109 -0.030 -9.627 1.00 0.00 C ATOM 909 O ASN A 64 9.589 -1.121 -9.738 1.00 0.00 O ATOM 910 CB ASN A 64 11.547 1.236 -11.299 1.00 0.00 C ATOM 911 CG ASN A 64 11.611 2.524 -12.093 1.00 0.00 C ATOM 912 OD1 ASN A 64 11.283 2.585 -13.252 1.00 0.00 O ATOM 913 ND2 ASN A 64 12.021 3.600 -11.502 1.00 0.00 N ATOM 0 H ASN A 64 10.144 3.174 -10.597 1.00 0.00 H new ATOM 0 HA ASN A 64 9.447 0.687 -11.543 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.259 1.268 -10.475 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.827 0.392 -11.930 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.063 4.480 -12.016 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.303 3.568 -10.522 1.00 0.00 H new ATOM 920 N ASN A 65 10.708 0.370 -8.541 1.00 0.00 N ATOM 921 CA ASN A 65 10.841 -0.479 -7.326 1.00 0.00 C ATOM 922 C ASN A 65 9.437 -0.782 -6.763 1.00 0.00 C ATOM 923 O ASN A 65 9.146 -1.912 -6.416 1.00 0.00 O ATOM 924 CB ASN A 65 11.810 0.348 -6.390 1.00 0.00 C ATOM 925 CG ASN A 65 11.217 0.793 -5.073 1.00 0.00 C ATOM 926 OD1 ASN A 65 10.042 0.966 -4.871 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.940 1.035 -4.053 1.00 0.00 N ATOM 0 H ASN A 65 11.129 1.294 -8.444 1.00 0.00 H new ATOM 0 HA ASN A 65 11.268 -1.470 -7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.693 -0.257 -6.185 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.147 1.230 -6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.507 1.341 -3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.952 0.922 -4.107 1.00 0.00 H new ATOM 934 N ALA A 66 8.598 0.218 -6.696 1.00 0.00 N ATOM 935 CA ALA A 66 7.218 -0.004 -6.161 1.00 0.00 C ATOM 936 C ALA A 66 6.568 -1.059 -7.093 1.00 0.00 C ATOM 937 O ALA A 66 5.956 -2.027 -6.678 1.00 0.00 O ATOM 938 CB ALA A 66 6.473 1.342 -6.205 1.00 0.00 C ATOM 0 H ALA A 66 8.805 1.174 -6.986 1.00 0.00 H new ATOM 0 HA ALA A 66 7.198 -0.361 -5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.462 1.211 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.003 2.071 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.426 1.698 -7.234 1.00 0.00 H new ATOM 944 N ALA A 67 6.753 -0.826 -8.369 1.00 0.00 N ATOM 945 CA ALA A 67 6.209 -1.739 -9.418 1.00 0.00 C ATOM 946 C ALA A 67 6.985 -3.073 -9.451 1.00 0.00 C ATOM 947 O ALA A 67 6.739 -3.945 -10.259 1.00 0.00 O ATOM 948 CB ALA A 67 6.281 -0.984 -10.778 1.00 0.00 C ATOM 0 H ALA A 67 7.269 -0.025 -8.733 1.00 0.00 H new ATOM 0 HA ALA A 67 5.174 -2.002 -9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.890 -1.623 -11.570 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.686 -0.073 -10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.317 -0.727 -10.997 1.00 0.00 H new ATOM 954 N SER A 68 7.908 -3.184 -8.547 1.00 0.00 N ATOM 955 CA SER A 68 8.745 -4.400 -8.411 1.00 0.00 C ATOM 956 C SER A 68 8.242 -5.082 -7.136 1.00 0.00 C ATOM 957 O SER A 68 8.458 -6.272 -6.985 1.00 0.00 O ATOM 958 CB SER A 68 10.215 -4.020 -8.269 1.00 0.00 C ATOM 959 OG SER A 68 10.867 -5.278 -8.133 1.00 0.00 O ATOM 0 H SER A 68 8.125 -2.452 -7.870 1.00 0.00 H new ATOM 0 HA SER A 68 8.671 -5.051 -9.282 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.575 -3.473 -9.140 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.384 -3.383 -7.400 1.00 0.00 H new ATOM 0 HG SER A 68 10.218 -5.953 -7.844 1.00 0.00 H new ATOM 965 N ILE A 69 7.594 -4.331 -6.258 1.00 0.00 N ATOM 966 CA ILE A 69 7.067 -4.951 -4.988 1.00 0.00 C ATOM 967 C ILE A 69 6.263 -6.217 -5.417 1.00 0.00 C ATOM 968 O ILE A 69 6.623 -7.294 -4.989 1.00 0.00 O ATOM 969 CB ILE A 69 6.119 -3.926 -4.203 1.00 0.00 C ATOM 970 CG1 ILE A 69 6.809 -2.864 -3.255 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.093 -4.738 -3.361 1.00 0.00 C ATOM 972 CD1 ILE A 69 5.840 -1.668 -3.059 1.00 0.00 C ATOM 0 H ILE A 69 7.411 -3.333 -6.365 1.00 0.00 H new ATOM 0 HA ILE A 69 7.883 -5.209 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 69 5.670 -3.328 -4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.050 -3.316 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.748 -2.522 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.441 -4.051 -2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.493 -5.363 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.625 -5.369 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.303 -0.928 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.622 -1.214 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.913 -2.021 -2.606 1.00 0.00 H new ATOM 984 N PRO A 70 5.229 -6.103 -6.245 1.00 0.00 N ATOM 985 CA PRO A 70 4.267 -7.220 -6.493 1.00 0.00 C ATOM 986 C PRO A 70 5.043 -8.515 -6.723 1.00 0.00 C ATOM 987 O PRO A 70 4.932 -9.498 -6.010 1.00 0.00 O ATOM 988 CB PRO A 70 3.443 -6.740 -7.701 1.00 0.00 C ATOM 989 CG PRO A 70 4.273 -5.576 -8.294 1.00 0.00 C ATOM 990 CD PRO A 70 4.887 -4.922 -7.079 1.00 0.00 C ATOM 0 HA PRO A 70 3.601 -7.448 -5.661 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.302 -7.539 -8.429 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.451 -6.406 -7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.036 -5.938 -8.983 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.646 -4.879 -8.850 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.767 -4.331 -7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.188 -4.254 -6.576 1.00 0.00 H new ATOM 998 N SER A 71 5.831 -8.371 -7.749 1.00 0.00 N ATOM 999 CA SER A 71 6.737 -9.442 -8.268 1.00 0.00 C ATOM 1000 C SER A 71 7.705 -10.037 -7.249 1.00 0.00 C ATOM 1001 O SER A 71 7.829 -11.240 -7.120 1.00 0.00 O ATOM 1002 CB SER A 71 7.521 -8.845 -9.427 1.00 0.00 C ATOM 1003 OG SER A 71 6.480 -8.431 -10.302 1.00 0.00 O ATOM 0 H SER A 71 5.888 -7.503 -8.282 1.00 0.00 H new ATOM 0 HA SER A 71 6.104 -10.279 -8.562 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.145 -8.009 -9.111 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.180 -9.577 -9.894 1.00 0.00 H new ATOM 0 HG SER A 71 6.869 -8.020 -11.102 1.00 0.00 H new ATOM 1009 N LYS A 72 8.372 -9.160 -6.552 1.00 0.00 N ATOM 1010 CA LYS A 72 9.366 -9.587 -5.521 1.00 0.00 C ATOM 1011 C LYS A 72 8.726 -10.074 -4.199 1.00 0.00 C ATOM 1012 O LYS A 72 9.331 -10.821 -3.456 1.00 0.00 O ATOM 1013 CB LYS A 72 10.264 -8.357 -5.366 1.00 0.00 C ATOM 1014 CG LYS A 72 11.515 -8.631 -4.481 1.00 0.00 C ATOM 1015 CD LYS A 72 11.501 -7.634 -3.305 1.00 0.00 C ATOM 1016 CE LYS A 72 10.630 -8.160 -2.168 1.00 0.00 C ATOM 1017 NZ LYS A 72 10.260 -6.975 -1.343 1.00 0.00 N ATOM 0 H LYS A 72 8.271 -8.150 -6.653 1.00 0.00 H new ATOM 0 HA LYS A 72 9.927 -10.471 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.588 -8.023 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.686 -7.544 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.501 -9.656 -4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.427 -8.516 -5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.517 -7.471 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.124 -6.669 -3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.741 -8.656 -2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.171 -8.895 -1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.372 -7.168 -0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.015 -6.782 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.134 -6.148 -1.961 1.00 0.00 H new ATOM 1031 N CYS A 73 7.530 -9.628 -3.934 1.00 0.00 N ATOM 1032 CA CYS A 73 6.786 -10.020 -2.693 1.00 0.00 C ATOM 1033 C CYS A 73 5.884 -11.281 -2.761 1.00 0.00 C ATOM 1034 O CYS A 73 5.850 -11.987 -1.775 1.00 0.00 O ATOM 1035 CB CYS A 73 5.967 -8.779 -2.279 1.00 0.00 C ATOM 1036 SG CYS A 73 6.913 -7.431 -1.517 1.00 0.00 S ATOM 0 H CYS A 73 7.018 -8.988 -4.542 1.00 0.00 H new ATOM 0 HA CYS A 73 7.533 -10.327 -1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.461 -8.389 -3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.192 -9.094 -1.581 1.00 0.00 H new ATOM 1041 N ASN A 74 5.204 -11.518 -3.856 1.00 0.00 N ATOM 1042 CA ASN A 74 4.284 -12.709 -4.067 1.00 0.00 C ATOM 1043 C ASN A 74 2.831 -12.228 -3.857 1.00 0.00 C ATOM 1044 O ASN A 74 2.024 -12.821 -3.168 1.00 0.00 O ATOM 1045 CB ASN A 74 4.593 -13.885 -3.061 1.00 0.00 C ATOM 1046 CG ASN A 74 3.774 -15.096 -3.471 1.00 0.00 C ATOM 1047 OD1 ASN A 74 3.844 -15.585 -4.577 1.00 0.00 O ATOM 1048 ND2 ASN A 74 2.967 -15.626 -2.615 1.00 0.00 N ATOM 0 H ASN A 74 5.246 -10.901 -4.667 1.00 0.00 H new ATOM 0 HA ASN A 74 4.438 -13.095 -5.075 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.656 -14.125 -3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.345 -13.587 -2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.407 -16.437 -2.877 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.889 -15.234 -1.677 1.00 0.00 H new ATOM 1055 N VAL A 75 2.595 -11.110 -4.482 1.00 0.00 N ATOM 1056 CA VAL A 75 1.281 -10.358 -4.505 1.00 0.00 C ATOM 1057 C VAL A 75 1.301 -9.742 -5.958 1.00 0.00 C ATOM 1058 O VAL A 75 1.027 -8.593 -6.251 1.00 0.00 O ATOM 1059 CB VAL A 75 1.309 -9.266 -3.316 1.00 0.00 C ATOM 1060 CG1 VAL A 75 2.603 -8.548 -3.458 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.214 -8.216 -3.351 1.00 0.00 C ATOM 0 H VAL A 75 3.318 -10.640 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 75 0.372 -10.935 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 75 1.165 -9.810 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.686 -7.790 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.425 -9.257 -3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.648 -8.069 -4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.333 -7.538 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.281 -7.652 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.759 -8.703 -3.291 1.00 0.00 H new ATOM 1071 N ASN A 76 1.644 -10.619 -6.862 1.00 0.00 N ATOM 1072 CA ASN A 76 1.753 -10.313 -8.328 1.00 0.00 C ATOM 1073 C ASN A 76 0.389 -10.432 -9.018 1.00 0.00 C ATOM 1074 O ASN A 76 0.100 -11.263 -9.858 1.00 0.00 O ATOM 1075 CB ASN A 76 2.824 -11.297 -8.954 1.00 0.00 C ATOM 1076 CG ASN A 76 3.247 -12.386 -7.985 1.00 0.00 C ATOM 1077 OD1 ASN A 76 3.703 -12.122 -6.899 1.00 0.00 O ATOM 1078 ND2 ASN A 76 3.134 -13.638 -8.279 1.00 0.00 N ATOM 0 H ASN A 76 1.866 -11.588 -6.634 1.00 0.00 H new ATOM 0 HA ASN A 76 2.079 -9.284 -8.477 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.411 -11.755 -9.853 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.701 -10.727 -9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.424 -14.348 -7.607 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.755 -13.917 -9.184 1.00 0.00 H new ATOM 1085 N VAL A 77 -0.408 -9.511 -8.572 1.00 0.00 N ATOM 1086 CA VAL A 77 -1.813 -9.339 -9.033 1.00 0.00 C ATOM 1087 C VAL A 77 -1.913 -7.948 -9.713 1.00 0.00 C ATOM 1088 O VAL A 77 -1.208 -7.036 -9.319 1.00 0.00 O ATOM 1089 CB VAL A 77 -2.694 -9.478 -7.766 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.205 -8.514 -6.664 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -4.164 -9.127 -8.091 1.00 0.00 C ATOM 0 H VAL A 77 -0.127 -8.831 -7.866 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.144 -10.075 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.622 -10.510 -7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.834 -8.623 -5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.172 -8.750 -6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.263 -7.488 -7.026 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.770 -9.229 -7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.222 -8.100 -8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.538 -9.804 -8.859 1.00 0.00 H new ATOM 1101 N PRO A 78 -2.754 -7.782 -10.708 1.00 0.00 N ATOM 1102 CA PRO A 78 -3.004 -6.437 -11.312 1.00 0.00 C ATOM 1103 C PRO A 78 -3.626 -5.380 -10.354 1.00 0.00 C ATOM 1104 O PRO A 78 -4.756 -4.976 -10.560 1.00 0.00 O ATOM 1105 CB PRO A 78 -3.887 -6.776 -12.550 1.00 0.00 C ATOM 1106 CG PRO A 78 -3.567 -8.265 -12.822 1.00 0.00 C ATOM 1107 CD PRO A 78 -3.536 -8.846 -11.409 1.00 0.00 C ATOM 0 HA PRO A 78 -2.076 -5.929 -11.573 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.946 -6.624 -12.342 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.637 -6.149 -13.406 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -4.328 -8.739 -13.442 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.614 -8.390 -13.336 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.534 -8.975 -10.989 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.045 -9.819 -11.369 1.00 0.00 H new ATOM 1115 N TYR A 79 -2.883 -4.965 -9.355 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.371 -3.940 -8.360 1.00 0.00 C ATOM 1117 C TYR A 79 -2.746 -2.548 -8.588 1.00 0.00 C ATOM 1118 O TYR A 79 -1.895 -2.055 -7.870 1.00 0.00 O ATOM 1119 CB TYR A 79 -3.062 -4.504 -6.932 1.00 0.00 C ATOM 1120 CG TYR A 79 -3.178 -3.506 -5.764 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.415 -3.070 -5.344 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -2.051 -3.028 -5.109 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.519 -2.189 -4.307 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -2.161 -2.127 -4.052 1.00 0.00 C ATOM 1125 CZ TYR A 79 -3.414 -1.710 -3.655 1.00 0.00 C ATOM 1126 OH TYR A 79 -3.594 -0.827 -2.618 1.00 0.00 O ATOM 0 H TYR A 79 -1.935 -5.299 -9.179 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.443 -3.782 -8.481 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.739 -5.336 -6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.050 -4.910 -6.936 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.307 -3.427 -5.838 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.073 -3.360 -5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.499 -1.861 -3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.277 -1.760 -3.551 1.00 0.00 H new ATOM 0 HH TYR A 79 -2.722 -0.573 -2.249 1.00 0.00 H new ATOM 1136 N THR A 80 -3.234 -1.965 -9.653 1.00 0.00 N ATOM 1137 CA THR A 80 -2.814 -0.588 -10.113 1.00 0.00 C ATOM 1138 C THR A 80 -1.349 -0.354 -10.522 1.00 0.00 C ATOM 1139 O THR A 80 -1.069 -0.046 -11.667 1.00 0.00 O ATOM 1140 CB THR A 80 -3.136 0.419 -9.020 1.00 0.00 C ATOM 1141 OG1 THR A 80 -4.548 0.392 -8.861 1.00 0.00 O ATOM 1142 CG2 THR A 80 -2.862 1.837 -9.480 1.00 0.00 C ATOM 0 H THR A 80 -3.936 -2.399 -10.252 1.00 0.00 H new ATOM 0 HA THR A 80 -3.379 -0.470 -11.038 1.00 0.00 H new ATOM 0 HB THR A 80 -2.551 0.172 -8.134 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.895 1.308 -8.867 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.102 2.533 -8.676 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.809 1.937 -9.744 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.477 2.062 -10.351 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.460 -0.502 -9.573 1.00 0.00 N ATOM 1151 CA ILE A 81 1.029 -0.305 -9.801 1.00 0.00 C ATOM 1152 C ILE A 81 1.324 0.720 -10.955 1.00 0.00 C ATOM 1153 O ILE A 81 2.002 0.433 -11.925 1.00 0.00 O ATOM 1154 CB ILE A 81 1.569 -1.681 -10.147 1.00 0.00 C ATOM 1155 CG1 ILE A 81 1.111 -2.809 -9.200 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.125 -1.630 -10.124 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.703 -2.685 -7.803 1.00 0.00 C ATOM 0 H ILE A 81 -0.700 -0.759 -8.616 1.00 0.00 H new ATOM 0 HA ILE A 81 1.506 0.114 -8.915 1.00 0.00 H new ATOM 0 HB ILE A 81 1.170 -1.920 -11.133 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.023 -2.799 -9.131 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.395 -3.772 -9.625 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.525 -2.613 -10.371 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.476 -0.901 -10.855 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.465 -1.339 -9.130 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.345 -3.506 -7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.791 -2.724 -7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.398 -1.736 -7.361 1.00 0.00 H new ATOM 1169 N SER A 82 0.799 1.911 -10.817 1.00 0.00 N ATOM 1170 CA SER A 82 1.012 2.960 -11.879 1.00 0.00 C ATOM 1171 C SER A 82 1.557 4.313 -11.390 1.00 0.00 C ATOM 1172 O SER A 82 1.323 4.686 -10.254 1.00 0.00 O ATOM 1173 CB SER A 82 -0.331 3.197 -12.604 1.00 0.00 C ATOM 1174 OG SER A 82 -0.593 1.963 -13.278 1.00 0.00 O ATOM 0 H SER A 82 0.234 2.208 -10.022 1.00 0.00 H new ATOM 0 HA SER A 82 1.788 2.561 -12.532 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.126 3.441 -11.899 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.262 4.027 -13.307 1.00 0.00 H new ATOM 0 HG SER A 82 -0.838 1.278 -12.622 1.00 0.00 H new ATOM 1180 N PRO A 83 2.258 5.007 -12.271 1.00 0.00 N ATOM 1181 CA PRO A 83 2.805 6.381 -12.027 1.00 0.00 C ATOM 1182 C PRO A 83 2.066 7.267 -11.010 1.00 0.00 C ATOM 1183 O PRO A 83 2.646 7.741 -10.053 1.00 0.00 O ATOM 1184 CB PRO A 83 2.862 6.945 -13.455 1.00 0.00 C ATOM 1185 CG PRO A 83 3.453 5.738 -14.212 1.00 0.00 C ATOM 1186 CD PRO A 83 2.620 4.550 -13.661 1.00 0.00 C ATOM 0 HA PRO A 83 3.766 6.350 -11.514 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.878 7.227 -13.829 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.495 7.829 -13.526 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.343 5.844 -15.291 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.517 5.615 -14.010 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.734 4.362 -14.268 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.197 3.625 -13.645 1.00 0.00 H new ATOM 1194 N ASP A 84 0.805 7.436 -11.294 1.00 0.00 N ATOM 1195 CA ASP A 84 -0.105 8.257 -10.453 1.00 0.00 C ATOM 1196 C ASP A 84 -1.276 7.341 -9.997 1.00 0.00 C ATOM 1197 O ASP A 84 -2.434 7.591 -10.265 1.00 0.00 O ATOM 1198 CB ASP A 84 -0.522 9.454 -11.372 1.00 0.00 C ATOM 1199 CG ASP A 84 -0.700 10.704 -10.535 1.00 0.00 C ATOM 1200 OD1 ASP A 84 0.258 11.000 -9.848 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -1.748 11.331 -10.573 1.00 0.00 O ATOM 0 H ASP A 84 0.352 7.021 -12.108 1.00 0.00 H new ATOM 0 HA ASP A 84 0.329 8.659 -9.537 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.238 9.621 -12.135 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.450 9.219 -11.893 1.00 0.00 H new ATOM 1206 N ILE A 85 -0.902 6.277 -9.324 1.00 0.00 N ATOM 1207 CA ILE A 85 -1.869 5.247 -8.786 1.00 0.00 C ATOM 1208 C ILE A 85 -3.384 5.617 -8.722 1.00 0.00 C ATOM 1209 O ILE A 85 -3.838 6.506 -8.025 1.00 0.00 O ATOM 1210 CB ILE A 85 -1.324 4.800 -7.355 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -2.375 3.995 -6.523 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -0.713 5.936 -6.512 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -1.821 2.572 -6.283 1.00 0.00 C ATOM 0 H ILE A 85 0.074 6.067 -9.114 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.882 4.442 -9.521 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.500 4.129 -7.598 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.568 4.492 -5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.325 3.947 -7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.370 5.537 -5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.131 6.372 -7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.467 6.703 -6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.541 1.994 -5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.650 2.082 -7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.881 2.635 -5.735 1.00 0.00 H new ATOM 1225 N ASP A 86 -4.113 4.862 -9.490 1.00 0.00 N ATOM 1226 CA ASP A 86 -5.596 4.987 -9.641 1.00 0.00 C ATOM 1227 C ASP A 86 -6.313 3.915 -8.765 1.00 0.00 C ATOM 1228 O ASP A 86 -5.765 2.839 -8.589 1.00 0.00 O ATOM 1229 CB ASP A 86 -5.990 4.755 -11.139 1.00 0.00 C ATOM 1230 CG ASP A 86 -4.881 4.361 -12.132 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -3.687 4.318 -11.893 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -5.357 4.062 -13.207 1.00 0.00 O ATOM 0 H ASP A 86 -3.716 4.113 -10.057 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.900 5.984 -9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.752 3.976 -11.166 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.456 5.670 -11.506 1.00 0.00 H new ATOM 1237 N CYS A 87 -7.488 4.215 -8.281 1.00 0.00 N ATOM 1238 CA CYS A 87 -8.223 3.226 -7.424 1.00 0.00 C ATOM 1239 C CYS A 87 -9.428 2.492 -8.059 1.00 0.00 C ATOM 1240 O CYS A 87 -9.806 1.437 -7.592 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.661 3.993 -6.170 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.573 5.340 -5.648 1.00 0.00 S ATOM 0 H CYS A 87 -7.974 5.098 -8.438 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.534 2.405 -7.227 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.655 4.403 -6.347 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.750 3.284 -5.347 1.00 0.00 H new ATOM 1247 N SER A 88 -10.024 2.994 -9.105 1.00 0.00 N ATOM 1248 CA SER A 88 -11.212 2.266 -9.706 1.00 0.00 C ATOM 1249 C SER A 88 -10.835 1.022 -10.537 1.00 0.00 C ATOM 1250 O SER A 88 -11.659 0.478 -11.243 1.00 0.00 O ATOM 1251 CB SER A 88 -11.976 3.292 -10.579 1.00 0.00 C ATOM 1252 OG SER A 88 -13.150 2.649 -11.062 1.00 0.00 O ATOM 0 H SER A 88 -9.757 3.860 -9.573 1.00 0.00 H new ATOM 0 HA SER A 88 -11.827 1.879 -8.893 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.235 4.175 -9.995 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.354 3.629 -11.408 1.00 0.00 H new ATOM 0 HG SER A 88 -12.992 1.684 -11.124 1.00 0.00 H new ATOM 1258 N ARG A 89 -9.598 0.623 -10.409 1.00 0.00 N ATOM 1259 CA ARG A 89 -9.019 -0.574 -11.121 1.00 0.00 C ATOM 1260 C ARG A 89 -8.461 -1.581 -10.073 1.00 0.00 C ATOM 1261 O ARG A 89 -7.651 -2.440 -10.364 1.00 0.00 O ATOM 1262 CB ARG A 89 -7.901 -0.059 -12.066 1.00 0.00 C ATOM 1263 CG ARG A 89 -6.647 0.374 -11.250 1.00 0.00 C ATOM 1264 CD ARG A 89 -5.892 1.482 -11.971 1.00 0.00 C ATOM 1265 NE ARG A 89 -5.145 0.970 -13.177 1.00 0.00 N ATOM 1266 CZ ARG A 89 -3.868 1.050 -13.249 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -3.300 2.163 -13.416 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -3.184 -0.011 -13.158 1.00 0.00 N ATOM 0 H ARG A 89 -8.925 1.100 -9.809 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.777 -1.096 -11.706 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.628 -0.841 -12.774 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.271 0.784 -12.649 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.951 0.718 -10.262 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.990 -0.483 -11.101 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.594 2.255 -12.282 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.189 1.949 -11.281 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.665 0.553 -13.949 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.858 3.013 -13.495 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.283 2.213 -13.472 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.650 -0.909 -13.030 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.166 0.032 -13.213 1.00 0.00 H new ATOM 1282 N ILE A 90 -8.943 -1.415 -8.870 1.00 0.00 N ATOM 1283 CA ILE A 90 -8.540 -2.279 -7.709 1.00 0.00 C ATOM 1284 C ILE A 90 -9.721 -3.166 -7.278 1.00 0.00 C ATOM 1285 O ILE A 90 -10.868 -2.897 -7.586 1.00 0.00 O ATOM 1286 CB ILE A 90 -8.076 -1.322 -6.599 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -6.826 -0.562 -7.162 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -7.869 -2.066 -5.263 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -5.928 0.007 -6.106 1.00 0.00 C ATOM 0 H ILE A 90 -9.623 -0.693 -8.632 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.731 -2.964 -7.962 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.831 -0.579 -6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.249 -1.246 -7.785 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.167 0.247 -7.808 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.541 -1.360 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.808 -2.525 -4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.112 -2.839 -5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.088 0.516 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.487 0.717 -5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.555 -0.798 -5.473 1.00 0.00 H new ATOM 1301 N TYR A 91 -9.393 -4.202 -6.568 1.00 0.00 N ATOM 1302 CA TYR A 91 -10.444 -5.153 -6.091 1.00 0.00 C ATOM 1303 C TYR A 91 -10.486 -5.034 -4.571 1.00 0.00 C ATOM 1304 O TYR A 91 -9.410 -4.892 -4.001 1.00 0.00 O ATOM 1305 CB TYR A 91 -10.039 -6.583 -6.544 1.00 0.00 C ATOM 1306 CG TYR A 91 -9.288 -6.460 -7.880 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -9.921 -5.979 -9.009 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -7.951 -6.799 -7.952 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -9.216 -5.839 -10.190 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -7.255 -6.656 -9.134 1.00 0.00 C ATOM 1311 CZ TYR A 91 -7.885 -6.175 -10.254 1.00 0.00 C ATOM 1312 OH TYR A 91 -7.171 -6.025 -11.419 1.00 0.00 O ATOM 1313 OXT TYR A 91 -11.589 -5.087 -4.049 1.00 0.00 O ATOM 0 H TYR A 91 -8.440 -4.438 -6.293 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.431 -4.935 -6.498 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.407 -7.056 -5.793 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.922 -7.211 -6.659 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -10.967 -5.712 -8.969 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.447 -7.179 -7.076 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.716 -5.462 -11.070 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.210 -6.924 -9.178 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.349 -5.523 -11.237 1.00 0.00 H new TER 1323 TYR A 91 HETATM 1324 N1A COA A 92 -2.618 7.284 11.509 1.00 0.00 N HETATM 1325 C2A COA A 92 -3.145 7.770 10.386 1.00 0.00 C HETATM 1326 N3A COA A 92 -2.681 8.778 9.644 1.00 0.00 N HETATM 1327 C4A COA A 92 -1.542 9.318 10.152 1.00 0.00 C HETATM 1328 C5A COA A 92 -0.895 8.920 11.294 1.00 0.00 C HETATM 1329 C6A COA A 92 -1.491 7.847 11.980 1.00 0.00 C HETATM 1330 N6A COA A 92 -0.968 7.350 13.086 1.00 0.00 N HETATM 1331 N7A COA A 92 0.240 9.681 11.518 1.00 0.00 N HETATM 1332 C8A COA A 92 0.233 10.502 10.506 1.00 0.00 C HETATM 1333 N9A COA A 92 -0.807 10.348 9.640 1.00 0.00 N HETATM 1334 C1B COA A 92 -1.056 11.106 8.397 1.00 0.00 C HETATM 1335 C2B COA A 92 -1.368 12.577 8.688 1.00 0.00 C HETATM 1336 O2B COA A 92 -2.791 12.797 8.596 1.00 0.00 O HETATM 1337 C3B COA A 92 -0.615 13.301 7.559 1.00 0.00 C HETATM 1338 O3B COA A 92 -1.516 13.563 6.423 1.00 0.00 O HETATM 1339 P3B COA A 92 -2.381 12.647 5.384 1.00 0.00 P HETATM 1340 O7A COA A 92 -2.498 13.573 4.231 1.00 0.00 O HETATM 1341 O8A COA A 92 -1.507 11.470 5.169 1.00 0.00 O HETATM 1342 O9A COA A 92 -3.671 12.407 6.105 1.00 0.00 O HETATM 1343 C4B COA A 92 0.535 12.330 7.128 1.00 0.00 C HETATM 1344 O4B COA A 92 0.158 11.052 7.603 1.00 0.00 O HETATM 1345 C5B COA A 92 2.101 12.398 7.600 1.00 0.00 C HETATM 1346 O5B COA A 92 2.545 12.203 8.997 1.00 0.00 O HETATM 1347 P1A COA A 92 3.533 11.055 9.641 1.00 0.00 P HETATM 1348 O1A COA A 92 4.749 10.905 8.805 1.00 0.00 O HETATM 1349 O2A COA A 92 3.736 11.446 11.056 1.00 0.00 O HETATM 1350 O3A COA A 92 2.725 9.709 9.684 1.00 0.00 O HETATM 1351 P2A COA A 92 3.023 8.703 8.541 1.00 0.00 P HETATM 1352 O4A COA A 92 2.956 9.420 7.256 1.00 0.00 O HETATM 1353 O5A COA A 92 4.255 7.907 8.834 1.00 0.00 O HETATM 1354 O6A COA A 92 1.750 7.678 8.658 1.00 0.00 O HETATM 1355 CBP COA A 92 0.150 7.291 6.803 1.00 0.00 C HETATM 1356 CCP COA A 92 0.395 7.916 8.183 1.00 0.00 C HETATM 1357 CDP COA A 92 1.348 7.698 5.929 1.00 0.00 C HETATM 1358 CEP COA A 92 0.231 5.818 6.938 1.00 0.00 C HETATM 1359 CAP COA A 92 -1.192 7.629 6.075 1.00 0.00 C HETATM 1360 OAP COA A 92 -2.234 7.076 6.889 1.00 0.00 O HETATM 1361 C9P COA A 92 -0.994 6.957 4.687 1.00 0.00 C HETATM 1362 O9P COA A 92 -1.430 5.861 4.400 1.00 0.00 O HETATM 1363 N8P COA A 92 -0.251 7.647 3.873 1.00 0.00 N HETATM 1364 C7P COA A 92 0.102 7.234 2.490 1.00 0.00 C HETATM 1365 C6P COA A 92 1.644 7.042 2.423 1.00 0.00 C HETATM 1366 C5P COA A 92 1.952 5.578 2.220 1.00 0.00 C HETATM 1367 O5P COA A 92 1.881 5.157 1.083 1.00 0.00 O HETATM 1368 N4P COA A 92 2.276 4.881 3.290 1.00 0.00 N HETATM 1369 C3P COA A 92 2.599 3.404 3.244 1.00 0.00 C HETATM 1370 C2P COA A 92 1.572 2.766 2.407 1.00 0.00 C HETATM 1371 S1P COA A 92 2.051 2.441 0.705 1.00 0.00 S HETATM 0 HO2A COA A 92 -3.152 12.290 7.839 1.00 0.00 H new HETATM 0 H62A COA A 92 -0.114 7.752 13.472 1.00 0.00 H new HETATM 0 H61A COA A 92 -1.418 6.564 13.555 1.00 0.00 H new HETATM 0 H52A COA A 92 2.633 11.657 7.003 1.00 0.00 H new HETATM 0 H51A COA A 92 2.470 13.377 7.295 1.00 0.00 H new HETATM 0 H143 COA A 92 1.219 5.540 7.304 1.00 0.00 H new HETATM 0 H142 COA A 92 -0.526 5.475 7.643 1.00 0.00 H new HETATM 0 H141 COA A 92 0.059 5.354 5.967 1.00 0.00 H new HETATM 0 H133 COA A 92 1.398 8.785 5.864 1.00 0.00 H new HETATM 0 H132 COA A 92 2.268 7.318 6.373 1.00 0.00 H new HETATM 0 H131 COA A 92 1.228 7.280 4.930 1.00 0.00 H new HETATM 0 H122 COA A 92 -0.317 7.505 8.898 1.00 0.00 H new HETATM 0 H121 COA A 92 0.212 8.989 8.132 1.00 0.00 H new HETATM 0 HO1 COA A 92 -2.807 7.798 7.222 1.00 0.00 H new HETATM 0 HN8 COA A 92 0.117 8.537 4.209 1.00 0.00 H new HETATM 0 HN4 COA A 92 2.311 5.359 4.190 1.00 0.00 H new HETATM 0 H8A COA A 92 1.005 11.258 10.363 1.00 0.00 H new HETATM 0 H72 COA A 92 -0.409 6.308 2.227 1.00 0.00 H new HETATM 0 H71 COA A 92 -0.219 7.990 1.773 1.00 0.00 H new HETATM 0 H62 COA A 92 2.061 7.631 1.606 1.00 0.00 H new HETATM 0 H61 COA A 92 2.108 7.400 3.342 1.00 0.00 H new HETATM 0 H4B COA A 92 0.587 12.613 6.077 1.00 0.00 H new HETATM 0 H3B COA A 92 -0.228 14.265 7.889 1.00 0.00 H new HETATM 0 H32 COA A 92 3.593 3.239 2.828 1.00 0.00 H new HETATM 0 H31 COA A 92 2.599 2.978 4.247 1.00 0.00 H new HETATM 0 H2B COA A 92 -1.073 12.916 9.681 1.00 0.00 H new HETATM 0 H2A COA A 92 -4.058 7.290 10.033 1.00 0.00 H new HETATM 0 H22 COA A 92 1.285 1.823 2.871 1.00 0.00 H new HETATM 0 H21 COA A 92 0.686 3.402 2.402 1.00 0.00 H new HETATM 0 H1B COA A 92 -1.910 10.669 7.880 1.00 0.00 H new HETATM 0 H10 COA A 92 -1.454 8.677 5.932 1.00 0.00 H new HETATM 1403 C1 PLM A 96 0.958 1.018 0.513 1.00 0.00 C HETATM 1404 O1 PLM A 96 -0.220 0.997 0.829 1.00 0.00 O HETATM 1405 C2 PLM A 96 1.672 -0.168 -0.078 1.00 0.00 C HETATM 1406 C3 PLM A 96 2.709 0.194 -1.144 1.00 0.00 C HETATM 1407 C4 PLM A 96 2.178 1.270 -2.093 1.00 0.00 C HETATM 1408 C5 PLM A 96 2.974 1.267 -3.419 1.00 0.00 C HETATM 1409 C6 PLM A 96 1.942 1.402 -4.596 1.00 0.00 C HETATM 1410 C7 PLM A 96 2.496 0.807 -5.912 1.00 0.00 C HETATM 1411 C8 PLM A 96 3.034 -0.630 -5.672 1.00 0.00 C HETATM 1412 C9 PLM A 96 2.022 -1.547 -4.887 1.00 0.00 C HETATM 1413 CA PLM A 96 2.821 -2.807 -4.511 1.00 0.00 C HETATM 1414 CB PLM A 96 2.044 -4.132 -4.658 1.00 0.00 C HETATM 1415 CC PLM A 96 1.564 -4.704 -3.327 1.00 0.00 C HETATM 1416 CD PLM A 96 0.526 -3.801 -2.663 1.00 0.00 C HETATM 1417 CE PLM A 96 -0.371 -4.684 -1.770 1.00 0.00 C HETATM 1418 CF PLM A 96 -1.325 -3.825 -0.924 1.00 0.00 C HETATM 1419 CG PLM A 96 -2.519 -4.727 -0.541 1.00 0.00 C HETATM 0 HG3 PLM A 96 -3.015 -5.078 -1.446 1.00 0.00 H new HETATM 0 HG2 PLM A 96 -2.160 -5.583 0.031 1.00 0.00 H new HETATM 0 HG1 PLM A 96 -3.226 -4.158 0.063 1.00 0.00 H new HETATM 0 HF2 PLM A 96 -0.821 -3.452 -0.032 1.00 0.00 H new HETATM 0 HF1 PLM A 96 -1.663 -2.955 -1.487 1.00 0.00 H new HETATM 0 HE2 PLM A 96 -0.948 -5.369 -2.392 1.00 0.00 H new HETATM 0 HE1 PLM A 96 0.251 -5.295 -1.115 1.00 0.00 H new HETATM 0 HD2 PLM A 96 1.016 -3.030 -2.068 1.00 0.00 H new HETATM 0 HD1 PLM A 96 -0.072 -3.289 -3.417 1.00 0.00 H new HETATM 0 HC2 PLM A 96 1.135 -5.693 -3.490 1.00 0.00 H new HETATM 0 HC1 PLM A 96 2.415 -4.832 -2.658 1.00 0.00 H new HETATM 0 HB2 PLM A 96 1.183 -3.970 -5.307 1.00 0.00 H new HETATM 0 HB1 PLM A 96 2.681 -4.866 -5.152 1.00 0.00 H new HETATM 0 HA2 PLM A 96 3.714 -2.854 -5.135 1.00 0.00 H new HETATM 0 HA1 PLM A 96 3.158 -2.712 -3.479 1.00 0.00 H new HETATM 0 H92 PLM A 96 1.642 -1.043 -3.998 1.00 0.00 H new HETATM 0 H91 PLM A 96 1.159 -1.798 -5.504 1.00 0.00 H new HETATM 0 H82 PLM A 96 3.262 -1.091 -6.633 1.00 0.00 H new HETATM 0 H81 PLM A 96 3.970 -0.573 -5.116 1.00 0.00 H new HETATM 0 H72 PLM A 96 1.711 0.787 -6.668 1.00 0.00 H new HETATM 0 H71 PLM A 96 3.294 1.441 -6.298 1.00 0.00 H new HETATM 0 H62 PLM A 96 1.016 0.894 -4.328 1.00 0.00 H new HETATM 0 H61 PLM A 96 1.697 2.453 -4.747 1.00 0.00 H new HETATM 0 H52 PLM A 96 3.687 2.091 -3.439 1.00 0.00 H new HETATM 0 H51 PLM A 96 3.549 0.346 -3.518 1.00 0.00 H new HETATM 0 H42 PLM A 96 1.122 1.094 -2.296 1.00 0.00 H new HETATM 0 H41 PLM A 96 2.253 2.249 -1.620 1.00 0.00 H new HETATM 0 H32 PLM A 96 3.620 0.548 -0.662 1.00 0.00 H new HETATM 0 H31 PLM A 96 2.975 -0.697 -1.713 1.00 0.00 H new HETATM 0 H22 PLM A 96 2.167 -0.717 0.723 1.00 0.00 H new HETATM 0 H21 PLM A 96 0.935 -0.840 -0.517 1.00 0.00 H new