USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=28 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 16 TYR OH : rot -87:sc= 1.47 USER MOD Set 1.2: A 65 ASN : amide:sc= -7.08! C(o=-2.1!,f=-3.5!) USER MOD Set 1.3: A 68 SER OG : rot -11:sc= 1.39! USER MOD Set 1.4: A 72 LYS NZ :NH3+ -122:sc= 2.15 (180deg=-0.291) USER MOD Set 2.1: A 59 HIS : no HE2:sc= 1.29 K(o=1.8,f=-8.2!) USER MOD Set 2.2: A 60 ASN : amide:sc= 0.498 K(o=1.8,f=-4.6) USER MOD Set 3.1: A 40 SER OG : rot 180:sc= 0.0542! USER MOD Set 3.2: A 41 SER OG : rot -82:sc= 0.996! USER MOD Set 4.1: A 11 LYS NZ :NH3+ -142:sc= -0.67! (180deg=-5.57!) USER MOD Set 4.2: A 15 THR OG1 : rot -169:sc= -1.13 USER MOD Set 4.3: A 18 GLN : amide:sc= -2.71! C(o=-4.5!,f=-17!) USER MOD Set 5.1: A 5 GLN : amide:sc= 1.01 K(o=1.9,f=-5.7) USER MOD Set 5.2: A 9 LYS NZ :NH3+ 136:sc= 0.877 (180deg=-1.1) USER MOD Single : A 1 LEU N :NH3+ 159:sc= -0.0774 (180deg=-2.2!) USER MOD Single : A 2 ASN :FLIP amide:sc= -1.8 F(o=-2.5!,f=-1.8) USER MOD Single : A 8 SER OG : rot 180:sc= -0.172 USER MOD Single : A 10 MET CE :methyl 158:sc= -11.8! (180deg=-14.4!) USER MOD Single : A 24 SER OG : rot 150:sc= 0.617 USER MOD Single : A 29 ASN : amide:sc= -2.83! C(o=-2.8!,f=-3!) USER MOD Single : A 35 HIS : no HE2:sc= -3.62! C(o=-3.6!,f=-11!) USER MOD Single : A 36 ASN : amide:sc= 1.22 K(o=1.2,f=-15!) USER MOD Single : A 37 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.022) USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -1.12 F(o=-1.8!,f=-1.1) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.811 K(o=0.81,f=-0.05) USER MOD Single : A 52 LYS NZ :NH3+ -121:sc= -1.75! (180deg=-5.02!) USER MOD Single : A 62 ASN :FLIP amide:sc= -2.06! C(o=-3.4!,f=-2.1!) USER MOD Single : A 64 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.0084) USER MOD Single : A 76 ASN : amide:sc= -1.99 K(o=-2,f=-4!) USER MOD Single : A 79 TYR OH : rot -50:sc= -2.29 USER MOD Single : A 80 THR OG1 : rot -160:sc= -1.01 USER MOD Single : A 82 SER OG : rot 57:sc= 0.611 USER MOD Single : A 88 SER OG : rot 170:sc= -0.0812 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 COA O2B : rot -41:sc= 1.18 USER MOD Single : A 92 COA OAP : rot 180:sc= -0.353 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -8.176 7.026 11.403 1.00 0.00 N ATOM 2 CA LEU A 1 -8.959 8.142 10.802 1.00 0.00 C ATOM 3 C LEU A 1 -9.089 8.021 9.262 1.00 0.00 C ATOM 4 O LEU A 1 -10.191 8.023 8.746 1.00 0.00 O ATOM 5 CB LEU A 1 -8.242 9.463 11.230 1.00 0.00 C ATOM 6 CG LEU A 1 -8.959 10.748 10.721 1.00 0.00 C ATOM 7 CD1 LEU A 1 -8.537 11.905 11.626 1.00 0.00 C ATOM 8 CD2 LEU A 1 -8.442 11.126 9.315 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.816 7.317 12.335 1.00 0.00 H new ATOM 0 H2 LEU A 1 -8.788 6.192 11.513 1.00 0.00 H new ATOM 0 H3 LEU A 1 -7.376 6.789 10.782 1.00 0.00 H new ATOM 0 HA LEU A 1 -9.987 8.121 11.163 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -8.179 9.498 12.318 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.220 9.452 10.852 1.00 0.00 H new ATOM 0 HG LEU A 1 -10.034 10.571 10.712 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -9.024 12.822 11.295 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -8.831 11.689 12.653 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.455 12.030 11.576 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -8.951 12.026 8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -7.369 11.311 9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -8.641 10.308 8.622 1.00 0.00 H new ATOM 22 N ASN A 2 -7.973 7.909 8.588 1.00 0.00 N ATOM 23 CA ASN A 2 -8.012 7.794 7.091 1.00 0.00 C ATOM 24 C ASN A 2 -7.286 6.536 6.583 1.00 0.00 C ATOM 25 O ASN A 2 -7.893 5.585 6.120 1.00 0.00 O ATOM 26 CB ASN A 2 -7.375 9.145 6.507 1.00 0.00 C ATOM 27 CG ASN A 2 -7.216 9.134 4.984 1.00 0.00 C ATOM 28 OD1 ASN A 2 -6.102 9.450 4.417 1.00 0.00 O flip ATOM 29 ND2 ASN A 2 -8.136 8.837 4.254 1.00 0.00 N flip ATOM 0 H ASN A 2 -7.041 7.892 9.002 1.00 0.00 H new ATOM 0 HA ASN A 2 -9.039 7.678 6.744 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.004 9.988 6.793 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.399 9.306 6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -9.039 8.579 4.651 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.007 8.845 3.242 1.00 0.00 H new ATOM 36 N CYS A 3 -5.993 6.638 6.731 1.00 0.00 N ATOM 37 CA CYS A 3 -5.041 5.577 6.312 1.00 0.00 C ATOM 38 C CYS A 3 -4.381 4.797 7.463 1.00 0.00 C ATOM 39 O CYS A 3 -4.296 3.588 7.350 1.00 0.00 O ATOM 40 CB CYS A 3 -3.996 6.299 5.416 1.00 0.00 C ATOM 41 SG CYS A 3 -4.575 7.069 3.881 1.00 0.00 S ATOM 0 H CYS A 3 -5.541 7.453 7.145 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.579 4.791 5.782 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.519 7.072 6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.223 5.576 5.155 1.00 0.00 H new ATOM 46 N GLY A 4 -3.940 5.438 8.522 1.00 0.00 N ATOM 47 CA GLY A 4 -3.266 4.722 9.691 1.00 0.00 C ATOM 48 C GLY A 4 -2.708 3.285 9.463 1.00 0.00 C ATOM 49 O GLY A 4 -1.512 3.122 9.247 1.00 0.00 O ATOM 0 H GLY A 4 -4.014 6.448 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.441 5.348 10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.986 4.672 10.508 1.00 0.00 H new ATOM 53 N GLN A 5 -3.559 2.273 9.517 1.00 0.00 N ATOM 54 CA GLN A 5 -3.060 0.853 9.295 1.00 0.00 C ATOM 55 C GLN A 5 -2.086 0.833 8.108 1.00 0.00 C ATOM 56 O GLN A 5 -1.056 0.194 8.129 1.00 0.00 O ATOM 57 CB GLN A 5 -4.236 -0.146 8.983 1.00 0.00 C ATOM 58 CG GLN A 5 -4.871 -0.711 10.309 1.00 0.00 C ATOM 59 CD GLN A 5 -5.117 -2.225 10.193 1.00 0.00 C ATOM 60 OE1 GLN A 5 -4.254 -3.049 10.430 1.00 0.00 O ATOM 61 NE2 GLN A 5 -6.265 -2.677 9.823 1.00 0.00 N ATOM 0 H GLN A 5 -4.558 2.360 9.701 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.569 0.535 10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.002 0.362 8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.864 -0.971 8.375 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.208 -0.509 11.150 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.811 -0.200 10.514 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.024 -2.029 9.612 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.415 -3.683 9.741 1.00 0.00 H new ATOM 70 N VAL A 6 -2.480 1.559 7.102 1.00 0.00 N ATOM 71 CA VAL A 6 -1.724 1.720 5.832 1.00 0.00 C ATOM 72 C VAL A 6 -0.225 1.750 6.159 1.00 0.00 C ATOM 73 O VAL A 6 0.546 0.867 5.839 1.00 0.00 O ATOM 74 CB VAL A 6 -2.210 3.058 5.199 1.00 0.00 C ATOM 75 CG1 VAL A 6 -1.229 3.523 4.180 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.540 2.917 4.466 1.00 0.00 C ATOM 0 H VAL A 6 -3.356 2.081 7.114 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.890 0.903 5.130 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.318 3.757 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.576 4.459 3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.260 3.681 4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.132 2.770 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.828 3.881 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.437 2.187 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.307 2.582 5.165 1.00 0.00 H new ATOM 86 N ASP A 7 0.105 2.817 6.836 1.00 0.00 N ATOM 87 CA ASP A 7 1.489 3.115 7.284 1.00 0.00 C ATOM 88 C ASP A 7 2.023 1.973 8.144 1.00 0.00 C ATOM 89 O ASP A 7 3.015 1.332 7.858 1.00 0.00 O ATOM 90 CB ASP A 7 1.393 4.417 8.060 1.00 0.00 C ATOM 91 CG ASP A 7 2.784 4.960 8.396 1.00 0.00 C ATOM 92 OD1 ASP A 7 3.326 5.617 7.530 1.00 0.00 O ATOM 93 OD2 ASP A 7 3.227 4.678 9.495 1.00 0.00 O ATOM 0 H ASP A 7 -0.571 3.530 7.109 1.00 0.00 H new ATOM 0 HA ASP A 7 2.185 3.214 6.451 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.843 5.154 7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.830 4.256 8.979 1.00 0.00 H new ATOM 98 N SER A 8 1.276 1.752 9.181 1.00 0.00 N ATOM 99 CA SER A 8 1.619 0.689 10.165 1.00 0.00 C ATOM 100 C SER A 8 1.995 -0.665 9.555 1.00 0.00 C ATOM 101 O SER A 8 2.795 -1.370 10.141 1.00 0.00 O ATOM 102 CB SER A 8 0.425 0.555 11.091 1.00 0.00 C ATOM 103 OG SER A 8 0.735 -0.534 11.953 1.00 0.00 O ATOM 0 H SER A 8 0.425 2.271 9.396 1.00 0.00 H new ATOM 0 HA SER A 8 2.524 0.992 10.691 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.263 1.471 11.659 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.489 0.363 10.529 1.00 0.00 H new ATOM 0 HG SER A 8 -0.003 -0.673 12.583 1.00 0.00 H new ATOM 109 N LYS A 9 1.405 -0.990 8.435 1.00 0.00 N ATOM 110 CA LYS A 9 1.684 -2.291 7.747 1.00 0.00 C ATOM 111 C LYS A 9 2.517 -2.226 6.419 1.00 0.00 C ATOM 112 O LYS A 9 3.234 -3.154 6.106 1.00 0.00 O ATOM 113 CB LYS A 9 0.305 -2.957 7.488 1.00 0.00 C ATOM 114 CG LYS A 9 -0.723 -2.867 8.668 1.00 0.00 C ATOM 115 CD LYS A 9 -0.064 -3.205 10.028 1.00 0.00 C ATOM 116 CE LYS A 9 -1.085 -3.545 11.126 1.00 0.00 C ATOM 117 NZ LYS A 9 -1.987 -4.637 10.627 1.00 0.00 N ATOM 0 H LYS A 9 0.727 -0.397 7.956 1.00 0.00 H new ATOM 0 HA LYS A 9 2.333 -2.866 8.408 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.141 -2.497 6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.468 -4.008 7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.145 -1.863 8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.550 -3.553 8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.614 -4.049 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.541 -2.358 10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.572 -3.865 12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.669 -2.662 11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.120 -5.347 11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.909 -4.233 10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.558 -5.088 9.794 1.00 0.00 H new ATOM 131 N MET A 10 2.414 -1.167 5.655 1.00 0.00 N ATOM 132 CA MET A 10 3.143 -0.988 4.383 1.00 0.00 C ATOM 133 C MET A 10 4.251 0.045 4.485 1.00 0.00 C ATOM 134 O MET A 10 4.954 0.242 3.510 1.00 0.00 O ATOM 135 CB MET A 10 2.124 -0.567 3.359 1.00 0.00 C ATOM 136 CG MET A 10 1.293 -1.759 2.999 1.00 0.00 C ATOM 137 SD MET A 10 2.255 -3.114 2.297 1.00 0.00 S ATOM 138 CE MET A 10 2.573 -2.281 0.725 1.00 0.00 C ATOM 0 H MET A 10 1.813 -0.377 5.888 1.00 0.00 H new ATOM 0 HA MET A 10 3.634 -1.921 4.107 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.494 0.228 3.757 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.619 -0.169 2.473 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.775 -2.114 3.890 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.528 -1.457 2.284 1.00 0.00 H new ATOM 0 HE1 MET A 10 3.454 -2.717 0.254 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.712 -2.404 0.068 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.745 -1.220 0.904 1.00 0.00 H new ATOM 148 N LYS A 11 4.402 0.705 5.612 1.00 0.00 N ATOM 149 CA LYS A 11 5.493 1.705 5.703 1.00 0.00 C ATOM 150 C LYS A 11 6.790 1.176 5.062 1.00 0.00 C ATOM 151 O LYS A 11 7.289 1.828 4.165 1.00 0.00 O ATOM 152 CB LYS A 11 5.765 2.073 7.186 1.00 0.00 C ATOM 153 CG LYS A 11 7.138 2.831 7.306 1.00 0.00 C ATOM 154 CD LYS A 11 7.012 4.316 6.814 1.00 0.00 C ATOM 155 CE LYS A 11 7.160 4.465 5.292 1.00 0.00 C ATOM 156 NZ LYS A 11 8.539 4.065 4.890 1.00 0.00 N ATOM 0 H LYS A 11 3.828 0.593 6.448 1.00 0.00 H new ATOM 0 HA LYS A 11 5.173 2.594 5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.959 2.700 7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.783 1.170 7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.475 2.816 8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.895 2.313 6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.043 4.712 7.119 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.773 4.921 7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.425 3.843 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.967 5.496 4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.876 4.693 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.175 4.139 5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.530 3.083 4.547 1.00 0.00 H new ATOM 170 N PRO A 12 7.316 0.050 5.514 1.00 0.00 N ATOM 171 CA PRO A 12 8.483 -0.624 4.859 1.00 0.00 C ATOM 172 C PRO A 12 8.422 -0.774 3.311 1.00 0.00 C ATOM 173 O PRO A 12 9.442 -0.835 2.640 1.00 0.00 O ATOM 174 CB PRO A 12 8.580 -1.974 5.620 1.00 0.00 C ATOM 175 CG PRO A 12 7.178 -2.145 6.266 1.00 0.00 C ATOM 176 CD PRO A 12 6.846 -0.732 6.704 1.00 0.00 C ATOM 0 HA PRO A 12 9.381 -0.011 4.939 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.811 -2.797 4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.367 -1.951 6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.448 -2.532 5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.201 -2.837 7.108 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.781 -0.597 6.892 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.369 -0.449 7.617 1.00 0.00 H new ATOM 184 N CYS A 13 7.225 -0.807 2.783 1.00 0.00 N ATOM 185 CA CYS A 13 7.081 -0.967 1.286 1.00 0.00 C ATOM 186 C CYS A 13 7.099 0.417 0.682 1.00 0.00 C ATOM 187 O CYS A 13 7.665 0.692 -0.363 1.00 0.00 O ATOM 188 CB CYS A 13 5.765 -1.674 0.994 1.00 0.00 C ATOM 189 SG CYS A 13 5.446 -3.205 1.896 1.00 0.00 S ATOM 0 H CYS A 13 6.351 -0.732 3.303 1.00 0.00 H new ATOM 0 HA CYS A 13 7.889 -1.562 0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.952 -0.979 1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.727 -1.894 -0.073 1.00 0.00 H new ATOM 194 N LEU A 14 6.452 1.304 1.374 1.00 0.00 N ATOM 195 CA LEU A 14 6.446 2.684 0.856 1.00 0.00 C ATOM 196 C LEU A 14 7.959 3.066 0.883 1.00 0.00 C ATOM 197 O LEU A 14 8.472 3.529 -0.114 1.00 0.00 O ATOM 198 CB LEU A 14 5.693 3.573 1.762 1.00 0.00 C ATOM 199 CG LEU A 14 5.678 4.967 1.190 1.00 0.00 C ATOM 200 CD1 LEU A 14 4.680 5.042 0.029 1.00 0.00 C ATOM 201 CD2 LEU A 14 5.175 5.796 2.317 1.00 0.00 C ATOM 0 H LEU A 14 5.945 1.140 2.244 1.00 0.00 H new ATOM 0 HA LEU A 14 5.983 2.773 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.674 3.207 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.152 3.578 2.751 1.00 0.00 H new ATOM 0 HG LEU A 14 6.650 5.283 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.673 6.052 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.973 4.337 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.683 4.790 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.124 6.840 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.181 5.454 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.851 5.703 3.167 1.00 0.00 H new ATOM 213 N THR A 15 8.641 2.869 2.017 1.00 0.00 N ATOM 214 CA THR A 15 10.109 3.197 2.115 1.00 0.00 C ATOM 215 C THR A 15 10.759 2.604 0.934 1.00 0.00 C ATOM 216 O THR A 15 11.463 3.311 0.242 1.00 0.00 O ATOM 217 CB THR A 15 10.845 2.624 3.345 1.00 0.00 C ATOM 218 OG1 THR A 15 9.959 1.959 4.217 1.00 0.00 O ATOM 219 CG2 THR A 15 11.430 3.690 4.205 1.00 0.00 C ATOM 0 H THR A 15 8.232 2.494 2.873 1.00 0.00 H new ATOM 0 HA THR A 15 10.170 4.283 2.192 1.00 0.00 H new ATOM 0 HB THR A 15 11.605 1.968 2.919 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.417 1.762 5.061 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.936 3.234 5.056 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.147 4.272 3.626 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.636 4.345 4.564 1.00 0.00 H new ATOM 227 N TYR A 16 10.520 1.337 0.736 1.00 0.00 N ATOM 228 CA TYR A 16 11.136 0.687 -0.455 1.00 0.00 C ATOM 229 C TYR A 16 10.995 1.587 -1.732 1.00 0.00 C ATOM 230 O TYR A 16 11.967 1.868 -2.407 1.00 0.00 O ATOM 231 CB TYR A 16 10.436 -0.664 -0.616 1.00 0.00 C ATOM 232 CG TYR A 16 11.061 -1.453 -1.759 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.385 -1.816 -1.696 1.00 0.00 C ATOM 234 CD2 TYR A 16 10.311 -1.809 -2.859 1.00 0.00 C ATOM 235 CE1 TYR A 16 12.951 -2.531 -2.734 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.885 -2.523 -3.891 1.00 0.00 C ATOM 237 CZ TYR A 16 12.204 -2.885 -3.826 1.00 0.00 C ATOM 238 OH TYR A 16 12.796 -3.589 -4.851 1.00 0.00 O ATOM 0 H TYR A 16 9.943 0.738 1.327 1.00 0.00 H new ATOM 0 HA TYR A 16 12.208 0.545 -0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 16 10.512 -1.233 0.311 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.374 -0.510 -0.810 1.00 0.00 H new ATOM 0 HD1 TYR A 16 12.981 -1.543 -0.838 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.270 -1.528 -2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 16 13.992 -2.813 -2.684 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.293 -2.797 -4.752 1.00 0.00 H new ATOM 0 HH TYR A 16 13.203 -2.963 -5.486 1.00 0.00 H new ATOM 248 N VAL A 17 9.805 2.049 -2.051 1.00 0.00 N ATOM 249 CA VAL A 17 9.698 2.907 -3.292 1.00 0.00 C ATOM 250 C VAL A 17 10.225 4.333 -3.144 1.00 0.00 C ATOM 251 O VAL A 17 10.807 4.831 -4.088 1.00 0.00 O ATOM 252 CB VAL A 17 8.228 2.973 -3.776 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.662 1.593 -3.695 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.311 3.934 -3.049 1.00 0.00 C ATOM 0 H VAL A 17 8.939 1.884 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 17 10.341 2.414 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 17 8.271 3.370 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.625 1.605 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.241 0.924 -4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.706 1.241 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.313 3.884 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.261 3.662 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.698 4.949 -3.144 1.00 0.00 H new ATOM 264 N GLN A 18 10.014 4.989 -2.029 1.00 0.00 N ATOM 265 CA GLN A 18 10.555 6.381 -1.900 1.00 0.00 C ATOM 266 C GLN A 18 12.086 6.312 -2.001 1.00 0.00 C ATOM 267 O GLN A 18 12.689 7.247 -2.485 1.00 0.00 O ATOM 268 CB GLN A 18 10.095 7.025 -0.530 1.00 0.00 C ATOM 269 CG GLN A 18 10.244 6.086 0.674 1.00 0.00 C ATOM 270 CD GLN A 18 9.796 6.688 2.028 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.628 6.043 3.051 1.00 0.00 O ATOM 272 NE2 GLN A 18 9.575 7.956 2.083 1.00 0.00 N ATOM 0 H GLN A 18 9.504 4.634 -1.220 1.00 0.00 H new ATOM 0 HA GLN A 18 10.169 7.015 -2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.678 7.928 -0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.052 7.330 -0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.665 5.182 0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.288 5.785 0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.703 8.533 1.251 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.272 8.383 2.958 1.00 0.00 H new ATOM 281 N GLY A 19 12.609 5.205 -1.522 1.00 0.00 N ATOM 282 CA GLY A 19 14.089 4.900 -1.523 1.00 0.00 C ATOM 283 C GLY A 19 14.761 4.816 -0.145 1.00 0.00 C ATOM 284 O GLY A 19 15.916 5.167 -0.011 1.00 0.00 O ATOM 0 H GLY A 19 12.045 4.462 -1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.244 3.952 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.597 5.667 -2.107 1.00 0.00 H new ATOM 288 N GLY A 20 14.038 4.354 0.836 1.00 0.00 N ATOM 289 CA GLY A 20 14.596 4.236 2.231 1.00 0.00 C ATOM 290 C GLY A 20 14.516 2.820 2.828 1.00 0.00 C ATOM 291 O GLY A 20 14.235 1.870 2.128 1.00 0.00 O ATOM 0 H GLY A 20 13.070 4.047 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.638 4.555 2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.059 4.924 2.884 1.00 0.00 H new ATOM 295 N PRO A 21 14.771 2.705 4.116 1.00 0.00 N ATOM 296 CA PRO A 21 14.636 1.422 4.890 1.00 0.00 C ATOM 297 C PRO A 21 13.554 0.388 4.446 1.00 0.00 C ATOM 298 O PRO A 21 12.370 0.581 4.677 1.00 0.00 O ATOM 299 CB PRO A 21 14.467 1.939 6.330 1.00 0.00 C ATOM 300 CG PRO A 21 15.466 3.121 6.350 1.00 0.00 C ATOM 301 CD PRO A 21 15.226 3.828 4.997 1.00 0.00 C ATOM 0 HA PRO A 21 15.503 0.782 4.724 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.446 2.261 6.533 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.715 1.179 7.071 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.278 3.790 7.190 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.495 2.774 6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.472 4.611 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.134 4.297 4.619 1.00 0.00 H new ATOM 309 N GLY A 22 13.993 -0.686 3.825 1.00 0.00 N ATOM 310 CA GLY A 22 13.065 -1.784 3.331 1.00 0.00 C ATOM 311 C GLY A 22 13.476 -2.343 1.941 1.00 0.00 C ATOM 312 O GLY A 22 14.354 -1.801 1.302 1.00 0.00 O ATOM 0 H GLY A 22 14.979 -0.859 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.055 -2.598 4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.048 -1.395 3.275 1.00 0.00 H new ATOM 316 N PRO A 23 12.852 -3.412 1.486 1.00 0.00 N ATOM 317 CA PRO A 23 11.556 -3.979 1.987 1.00 0.00 C ATOM 318 C PRO A 23 11.821 -4.958 3.160 1.00 0.00 C ATOM 319 O PRO A 23 10.940 -5.352 3.903 1.00 0.00 O ATOM 320 CB PRO A 23 11.005 -4.614 0.723 1.00 0.00 C ATOM 321 CG PRO A 23 12.287 -5.320 0.186 1.00 0.00 C ATOM 322 CD PRO A 23 13.384 -4.225 0.348 1.00 0.00 C ATOM 0 HA PRO A 23 10.849 -3.271 2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.198 -5.318 0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.613 -3.876 0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.524 -6.217 0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.173 -5.627 -0.854 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.359 -4.656 0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.502 -3.630 -0.557 1.00 0.00 H new ATOM 330 N SER A 24 13.075 -5.334 3.236 1.00 0.00 N ATOM 331 CA SER A 24 13.652 -6.280 4.272 1.00 0.00 C ATOM 332 C SER A 24 13.205 -7.753 4.157 1.00 0.00 C ATOM 333 O SER A 24 14.008 -8.659 4.231 1.00 0.00 O ATOM 334 CB SER A 24 13.297 -5.799 5.708 1.00 0.00 C ATOM 335 OG SER A 24 13.330 -4.376 5.674 1.00 0.00 O ATOM 0 H SER A 24 13.778 -5.002 2.576 1.00 0.00 H new ATOM 0 HA SER A 24 14.724 -6.254 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.312 -6.158 6.005 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.010 -6.187 6.435 1.00 0.00 H new ATOM 0 HG SER A 24 12.689 -4.018 6.323 1.00 0.00 H new ATOM 341 N GLY A 25 11.919 -7.913 3.972 1.00 0.00 N ATOM 342 CA GLY A 25 11.200 -9.237 3.833 1.00 0.00 C ATOM 343 C GLY A 25 9.826 -9.032 4.498 1.00 0.00 C ATOM 344 O GLY A 25 8.779 -9.372 3.962 1.00 0.00 O ATOM 0 H GLY A 25 11.284 -7.118 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.091 -9.516 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.756 -10.038 4.320 1.00 0.00 H new ATOM 348 N GLU A 26 9.915 -8.459 5.678 1.00 0.00 N ATOM 349 CA GLU A 26 8.716 -8.136 6.523 1.00 0.00 C ATOM 350 C GLU A 26 7.702 -7.446 5.598 1.00 0.00 C ATOM 351 O GLU A 26 6.523 -7.736 5.618 1.00 0.00 O ATOM 352 CB GLU A 26 9.204 -7.235 7.698 1.00 0.00 C ATOM 353 CG GLU A 26 9.818 -5.914 7.182 1.00 0.00 C ATOM 354 CD GLU A 26 10.629 -5.116 8.212 1.00 0.00 C ATOM 355 OE1 GLU A 26 10.474 -5.269 9.415 1.00 0.00 O ATOM 356 OE2 GLU A 26 11.391 -4.356 7.645 1.00 0.00 O ATOM 0 H GLU A 26 10.802 -8.193 6.105 1.00 0.00 H new ATOM 0 HA GLU A 26 8.232 -9.007 6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.367 -7.014 8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.944 -7.775 8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.464 -6.141 6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.013 -5.281 6.809 1.00 0.00 H new ATOM 363 N CYS A 27 8.165 -6.535 4.774 1.00 0.00 N ATOM 364 CA CYS A 27 7.178 -5.885 3.881 1.00 0.00 C ATOM 365 C CYS A 27 6.599 -6.894 2.897 1.00 0.00 C ATOM 366 O CYS A 27 5.403 -6.929 2.779 1.00 0.00 O ATOM 367 CB CYS A 27 7.822 -4.765 3.112 1.00 0.00 C ATOM 368 SG CYS A 27 6.844 -3.264 3.345 1.00 0.00 S ATOM 0 H CYS A 27 9.135 -6.231 4.687 1.00 0.00 H new ATOM 0 HA CYS A 27 6.377 -5.486 4.503 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.844 -4.608 3.458 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.879 -5.018 2.053 1.00 0.00 H new ATOM 373 N CYS A 28 7.383 -7.689 2.212 1.00 0.00 N ATOM 374 CA CYS A 28 6.766 -8.673 1.254 1.00 0.00 C ATOM 375 C CYS A 28 5.626 -9.482 1.892 1.00 0.00 C ATOM 376 O CYS A 28 4.571 -9.668 1.308 1.00 0.00 O ATOM 377 CB CYS A 28 7.858 -9.618 0.742 1.00 0.00 C ATOM 378 SG CYS A 28 8.901 -8.961 -0.576 1.00 0.00 S ATOM 0 H CYS A 28 8.401 -7.705 2.268 1.00 0.00 H new ATOM 0 HA CYS A 28 6.329 -8.110 0.429 1.00 0.00 H new ATOM 0 HB2 CYS A 28 8.496 -9.896 1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.384 -10.532 0.385 1.00 0.00 H new ATOM 383 N ASN A 29 5.840 -9.947 3.099 1.00 0.00 N ATOM 384 CA ASN A 29 4.721 -10.738 3.723 1.00 0.00 C ATOM 385 C ASN A 29 3.635 -9.744 4.124 1.00 0.00 C ATOM 386 O ASN A 29 2.476 -9.997 3.840 1.00 0.00 O ATOM 387 CB ASN A 29 5.274 -11.564 4.935 1.00 0.00 C ATOM 388 CG ASN A 29 6.253 -10.830 5.814 1.00 0.00 C ATOM 389 OD1 ASN A 29 5.917 -10.050 6.671 1.00 0.00 O ATOM 390 ND2 ASN A 29 7.513 -11.044 5.652 1.00 0.00 N ATOM 0 H ASN A 29 6.686 -9.827 3.656 1.00 0.00 H new ATOM 0 HA ASN A 29 4.293 -11.462 3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.433 -11.889 5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.756 -12.463 4.552 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.192 -10.560 6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.831 -11.697 4.936 1.00 0.00 H new ATOM 397 N GLY A 30 3.991 -8.654 4.763 1.00 0.00 N ATOM 398 CA GLY A 30 2.933 -7.656 5.144 1.00 0.00 C ATOM 399 C GLY A 30 2.053 -7.444 3.894 1.00 0.00 C ATOM 400 O GLY A 30 0.853 -7.559 3.931 1.00 0.00 O ATOM 0 H GLY A 30 4.945 -8.413 5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.337 -8.024 5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.384 -6.717 5.464 1.00 0.00 H new ATOM 404 N VAL A 31 2.712 -7.131 2.816 1.00 0.00 N ATOM 405 CA VAL A 31 2.116 -6.886 1.474 1.00 0.00 C ATOM 406 C VAL A 31 1.127 -8.007 1.113 1.00 0.00 C ATOM 407 O VAL A 31 -0.019 -7.733 0.818 1.00 0.00 O ATOM 408 CB VAL A 31 3.286 -6.809 0.462 1.00 0.00 C ATOM 409 CG1 VAL A 31 2.742 -6.979 -0.929 1.00 0.00 C ATOM 410 CG2 VAL A 31 3.929 -5.435 0.467 1.00 0.00 C ATOM 0 H VAL A 31 3.727 -7.028 2.817 1.00 0.00 H new ATOM 0 HA VAL A 31 1.550 -5.955 1.459 1.00 0.00 H new ATOM 0 HB VAL A 31 4.005 -7.579 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.559 -6.926 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.249 -7.948 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.023 -6.187 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.747 -5.413 -0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.186 -4.685 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.317 -5.218 1.462 1.00 0.00 H new ATOM 420 N ARG A 32 1.592 -9.237 1.116 1.00 0.00 N ATOM 421 CA ARG A 32 0.651 -10.358 0.779 1.00 0.00 C ATOM 422 C ARG A 32 -0.594 -10.177 1.647 1.00 0.00 C ATOM 423 O ARG A 32 -1.705 -10.172 1.143 1.00 0.00 O ATOM 424 CB ARG A 32 1.269 -11.706 1.100 1.00 0.00 C ATOM 425 CG ARG A 32 0.578 -12.835 0.226 1.00 0.00 C ATOM 426 CD ARG A 32 -0.965 -12.737 0.260 1.00 0.00 C ATOM 427 NE ARG A 32 -1.557 -14.009 -0.271 1.00 0.00 N ATOM 428 CZ ARG A 32 -2.794 -14.251 -0.066 1.00 0.00 C ATOM 429 NH1 ARG A 32 -3.663 -13.791 -0.874 1.00 0.00 N ATOM 430 NH2 ARG A 32 -3.111 -14.943 0.949 1.00 0.00 N ATOM 0 H ARG A 32 2.552 -9.509 1.330 1.00 0.00 H new ATOM 0 HA ARG A 32 0.418 -10.333 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.340 -11.682 0.899 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.148 -11.929 2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.923 -12.756 -0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.886 -13.815 0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.307 -12.562 1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.300 -11.890 -0.338 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.979 -14.671 -0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.369 -13.235 -1.677 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.653 -13.979 -0.719 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.386 -15.290 1.576 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.091 -15.152 1.138 1.00 0.00 H new ATOM 444 N ASP A 33 -0.389 -10.036 2.933 1.00 0.00 N ATOM 445 CA ASP A 33 -1.596 -9.845 3.799 1.00 0.00 C ATOM 446 C ASP A 33 -2.321 -8.611 3.239 1.00 0.00 C ATOM 447 O ASP A 33 -3.423 -8.806 2.795 1.00 0.00 O ATOM 448 CB ASP A 33 -1.163 -9.632 5.264 1.00 0.00 C ATOM 449 CG ASP A 33 -0.313 -10.802 5.780 1.00 0.00 C ATOM 450 OD1 ASP A 33 0.090 -11.664 5.009 1.00 0.00 O ATOM 451 OD2 ASP A 33 -0.127 -10.720 6.983 1.00 0.00 O ATOM 0 H ASP A 33 0.515 -10.043 3.405 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.253 -10.715 3.791 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.594 -8.706 5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.047 -9.519 5.892 1.00 0.00 H new ATOM 456 N LEU A 34 -1.751 -7.427 3.241 1.00 0.00 N ATOM 457 CA LEU A 34 -2.387 -6.181 2.703 1.00 0.00 C ATOM 458 C LEU A 34 -3.286 -6.641 1.537 1.00 0.00 C ATOM 459 O LEU A 34 -4.464 -6.409 1.562 1.00 0.00 O ATOM 460 CB LEU A 34 -1.235 -5.270 2.280 1.00 0.00 C ATOM 461 CG LEU A 34 -0.749 -4.235 3.337 1.00 0.00 C ATOM 462 CD1 LEU A 34 -1.740 -3.117 3.680 1.00 0.00 C ATOM 463 CD2 LEU A 34 -0.170 -4.829 4.606 1.00 0.00 C ATOM 0 H LEU A 34 -0.816 -7.269 3.617 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.008 -5.625 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.388 -5.897 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.539 -4.728 1.385 1.00 0.00 H new ATOM 0 HG LEU A 34 0.073 -3.769 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.298 -2.455 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.971 -2.547 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.656 -3.553 4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.138 -4.026 5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.925 -5.442 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.693 -5.446 4.358 1.00 0.00 H new ATOM 475 N HIS A 35 -2.735 -7.281 0.550 1.00 0.00 N ATOM 476 CA HIS A 35 -3.520 -7.799 -0.626 1.00 0.00 C ATOM 477 C HIS A 35 -4.748 -8.622 -0.151 1.00 0.00 C ATOM 478 O HIS A 35 -5.872 -8.404 -0.559 1.00 0.00 O ATOM 479 CB HIS A 35 -2.489 -8.643 -1.486 1.00 0.00 C ATOM 480 CG HIS A 35 -2.966 -9.932 -2.186 1.00 0.00 C ATOM 481 ND1 HIS A 35 -2.203 -10.568 -3.010 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.124 -10.703 -2.171 1.00 0.00 C ATOM 483 CE1 HIS A 35 -2.798 -11.621 -3.464 1.00 0.00 C ATOM 484 NE2 HIS A 35 -3.998 -11.745 -2.970 1.00 0.00 N ATOM 0 H HIS A 35 -1.736 -7.479 0.498 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.944 -6.999 -1.233 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.086 -7.983 -2.254 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.660 -8.913 -0.831 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -1.259 -10.279 -3.268 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.004 -10.479 -1.586 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.356 -12.313 -4.166 1.00 0.00 H new ATOM 492 N ASN A 36 -4.495 -9.553 0.732 1.00 0.00 N ATOM 493 CA ASN A 36 -5.575 -10.443 1.275 1.00 0.00 C ATOM 494 C ASN A 36 -6.208 -9.825 2.546 1.00 0.00 C ATOM 495 O ASN A 36 -6.849 -10.511 3.318 1.00 0.00 O ATOM 496 CB ASN A 36 -4.853 -11.823 1.505 1.00 0.00 C ATOM 497 CG ASN A 36 -5.770 -13.057 1.556 1.00 0.00 C ATOM 498 OD1 ASN A 36 -5.547 -14.037 0.874 1.00 0.00 O ATOM 499 ND2 ASN A 36 -6.799 -13.083 2.330 1.00 0.00 N ATOM 0 H ASN A 36 -3.566 -9.741 1.110 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.426 -10.571 0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.124 -11.968 0.708 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.296 -11.769 2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.397 -13.909 2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.016 -12.277 2.917 1.00 0.00 H new ATOM 506 N GLN A 37 -5.972 -8.546 2.708 1.00 0.00 N ATOM 507 CA GLN A 37 -6.492 -7.710 3.850 1.00 0.00 C ATOM 508 C GLN A 37 -7.426 -6.582 3.347 1.00 0.00 C ATOM 509 O GLN A 37 -8.486 -6.319 3.883 1.00 0.00 O ATOM 510 CB GLN A 37 -5.339 -7.033 4.596 1.00 0.00 C ATOM 511 CG GLN A 37 -4.484 -8.027 5.393 1.00 0.00 C ATOM 512 CD GLN A 37 -5.203 -8.473 6.657 1.00 0.00 C ATOM 513 OE1 GLN A 37 -5.663 -7.732 7.499 1.00 0.00 O ATOM 514 NE2 GLN A 37 -5.310 -9.744 6.805 1.00 0.00 N ATOM 0 H GLN A 37 -5.403 -8.010 2.053 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.037 -8.389 4.506 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.706 -6.509 3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.742 -6.281 5.275 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.257 -8.895 4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.532 -7.565 5.655 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.925 -10.374 6.101 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.780 -10.124 7.627 1.00 0.00 H new ATOM 523 N ALA A 38 -7.010 -5.932 2.299 1.00 0.00 N ATOM 524 CA ALA A 38 -7.785 -4.808 1.688 1.00 0.00 C ATOM 525 C ALA A 38 -8.975 -5.315 0.813 1.00 0.00 C ATOM 526 O ALA A 38 -9.308 -4.787 -0.233 1.00 0.00 O ATOM 527 CB ALA A 38 -6.674 -4.051 0.940 1.00 0.00 C ATOM 0 H ALA A 38 -6.133 -6.138 1.821 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.312 -4.164 2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.101 -3.185 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.917 -3.719 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.216 -4.712 0.204 1.00 0.00 H new ATOM 533 N GLN A 39 -9.568 -6.353 1.343 1.00 0.00 N ATOM 534 CA GLN A 39 -10.737 -7.078 0.755 1.00 0.00 C ATOM 535 C GLN A 39 -11.939 -7.088 1.746 1.00 0.00 C ATOM 536 O GLN A 39 -12.479 -8.128 2.087 1.00 0.00 O ATOM 537 CB GLN A 39 -10.208 -8.503 0.419 1.00 0.00 C ATOM 538 CG GLN A 39 -9.251 -8.459 -0.830 1.00 0.00 C ATOM 539 CD GLN A 39 -9.981 -8.568 -2.174 1.00 0.00 C ATOM 540 OE1 GLN A 39 -11.263 -8.694 -2.253 1.00 0.00 O flip ATOM 541 NE2 GLN A 39 -9.399 -8.552 -3.234 1.00 0.00 N flip ATOM 0 H GLN A 39 -9.262 -6.756 2.229 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.123 -6.595 -0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.675 -8.911 1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.046 -9.170 0.218 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.685 -7.528 -0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.530 -9.272 -0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.384 -8.455 -3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.923 -8.635 -4.105 1.00 0.00 H new ATOM 550 N SER A 40 -12.312 -5.904 2.178 1.00 0.00 N ATOM 551 CA SER A 40 -13.469 -5.754 3.138 1.00 0.00 C ATOM 552 C SER A 40 -14.604 -5.059 2.388 1.00 0.00 C ATOM 553 O SER A 40 -15.754 -5.450 2.425 1.00 0.00 O ATOM 554 CB SER A 40 -13.081 -4.867 4.372 1.00 0.00 C ATOM 555 OG SER A 40 -13.175 -3.501 3.952 1.00 0.00 O ATOM 0 H SER A 40 -11.866 -5.027 1.908 1.00 0.00 H new ATOM 0 HA SER A 40 -13.758 -6.740 3.501 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.750 -5.059 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.071 -5.098 4.710 1.00 0.00 H new ATOM 0 HG SER A 40 -12.940 -2.912 4.699 1.00 0.00 H new ATOM 561 N SER A 41 -14.194 -4.012 1.730 1.00 0.00 N ATOM 562 CA SER A 41 -15.099 -3.150 0.918 1.00 0.00 C ATOM 563 C SER A 41 -14.324 -2.657 -0.322 1.00 0.00 C ATOM 564 O SER A 41 -14.121 -3.366 -1.289 1.00 0.00 O ATOM 565 CB SER A 41 -15.515 -2.029 1.871 1.00 0.00 C ATOM 566 OG SER A 41 -14.230 -1.516 2.244 1.00 0.00 O ATOM 0 H SER A 41 -13.221 -3.705 1.722 1.00 0.00 H new ATOM 0 HA SER A 41 -15.986 -3.652 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 41 -16.136 -1.278 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 41 -16.078 -2.400 2.727 1.00 0.00 H new ATOM 0 HG SER A 41 -13.848 -2.074 2.954 1.00 0.00 H new ATOM 572 N GLY A 42 -13.903 -1.429 -0.243 1.00 0.00 N ATOM 573 CA GLY A 42 -13.129 -0.763 -1.320 1.00 0.00 C ATOM 574 C GLY A 42 -11.816 -0.274 -0.739 1.00 0.00 C ATOM 575 O GLY A 42 -11.166 0.488 -1.420 1.00 0.00 O ATOM 0 H GLY A 42 -14.074 -0.832 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.945 -1.458 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.695 0.072 -1.732 1.00 0.00 H new ATOM 579 N ASP A 43 -11.475 -0.724 0.456 1.00 0.00 N ATOM 580 CA ASP A 43 -10.204 -0.344 1.193 1.00 0.00 C ATOM 581 C ASP A 43 -9.172 0.276 0.275 1.00 0.00 C ATOM 582 O ASP A 43 -8.843 1.437 0.387 1.00 0.00 O ATOM 583 CB ASP A 43 -9.587 -1.584 1.840 1.00 0.00 C ATOM 584 CG ASP A 43 -10.646 -2.391 2.527 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.386 -3.090 1.854 1.00 0.00 O ATOM 586 OD2 ASP A 43 -10.667 -2.263 3.730 1.00 0.00 O ATOM 0 H ASP A 43 -12.058 -1.376 0.980 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.483 0.391 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.092 -2.191 1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.823 -1.286 2.558 1.00 0.00 H new ATOM 591 N ARG A 44 -8.662 -0.533 -0.604 1.00 0.00 N ATOM 592 CA ARG A 44 -7.663 -0.113 -1.595 1.00 0.00 C ATOM 593 C ARG A 44 -7.858 1.362 -2.019 1.00 0.00 C ATOM 594 O ARG A 44 -6.981 2.179 -1.897 1.00 0.00 O ATOM 595 CB ARG A 44 -7.781 -0.973 -2.842 1.00 0.00 C ATOM 596 CG ARG A 44 -8.540 -2.299 -2.735 1.00 0.00 C ATOM 597 CD ARG A 44 -10.062 -2.109 -2.435 1.00 0.00 C ATOM 598 NE ARG A 44 -10.760 -3.310 -2.965 1.00 0.00 N ATOM 599 CZ ARG A 44 -11.592 -3.207 -3.922 1.00 0.00 C ATOM 600 NH1 ARG A 44 -11.024 -3.132 -5.045 1.00 0.00 N ATOM 601 NH2 ARG A 44 -12.843 -3.187 -3.709 1.00 0.00 N ATOM 0 H ARG A 44 -8.917 -1.518 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.684 -0.225 -1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.263 -0.375 -3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.772 -1.193 -3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.425 -2.853 -3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.093 -2.905 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -10.234 -2.004 -1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -10.439 -1.203 -2.909 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.570 -4.225 -2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.006 -3.157 -5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.582 -3.046 -5.894 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.199 -3.254 -2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.492 -3.104 -4.491 1.00 0.00 H new ATOM 615 N GLN A 45 -9.033 1.663 -2.514 1.00 0.00 N ATOM 616 CA GLN A 45 -9.406 3.029 -2.984 1.00 0.00 C ATOM 617 C GLN A 45 -8.975 4.100 -1.965 1.00 0.00 C ATOM 618 O GLN A 45 -8.507 5.161 -2.330 1.00 0.00 O ATOM 619 CB GLN A 45 -10.933 2.992 -3.237 1.00 0.00 C ATOM 620 CG GLN A 45 -11.285 1.943 -4.384 1.00 0.00 C ATOM 621 CD GLN A 45 -12.162 2.628 -5.426 1.00 0.00 C ATOM 622 OE1 GLN A 45 -11.753 2.621 -6.646 1.00 0.00 O flip ATOM 623 NE2 GLN A 45 -13.214 3.176 -5.178 1.00 0.00 N flip ATOM 0 H GLN A 45 -9.784 0.980 -2.615 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.890 3.305 -3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.453 2.722 -2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.284 3.984 -3.523 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.372 1.569 -4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.803 1.082 -3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.564 3.198 -4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.749 3.615 -5.927 1.00 0.00 H new ATOM 632 N THR A 46 -9.131 3.823 -0.697 1.00 0.00 N ATOM 633 CA THR A 46 -8.701 4.854 0.327 1.00 0.00 C ATOM 634 C THR A 46 -7.163 4.855 0.277 1.00 0.00 C ATOM 635 O THR A 46 -6.484 5.866 0.183 1.00 0.00 O ATOM 636 CB THR A 46 -9.146 4.456 1.753 1.00 0.00 C ATOM 637 OG1 THR A 46 -10.541 4.706 1.810 1.00 0.00 O ATOM 638 CG2 THR A 46 -8.567 5.446 2.770 1.00 0.00 C ATOM 0 H THR A 46 -9.524 2.959 -0.322 1.00 0.00 H new ATOM 0 HA THR A 46 -9.144 5.825 0.105 1.00 0.00 H new ATOM 0 HB THR A 46 -8.844 3.430 1.961 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.880 4.468 2.698 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.883 5.163 3.774 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.479 5.430 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.928 6.450 2.546 1.00 0.00 H new ATOM 646 N VAL A 47 -6.647 3.662 0.349 1.00 0.00 N ATOM 647 CA VAL A 47 -5.150 3.482 0.306 1.00 0.00 C ATOM 648 C VAL A 47 -4.485 4.266 -0.896 1.00 0.00 C ATOM 649 O VAL A 47 -3.470 4.918 -0.764 1.00 0.00 O ATOM 650 CB VAL A 47 -4.949 1.948 0.251 1.00 0.00 C ATOM 651 CG1 VAL A 47 -4.190 1.541 -0.993 1.00 0.00 C ATOM 652 CG2 VAL A 47 -4.186 1.506 1.504 1.00 0.00 C ATOM 0 H VAL A 47 -7.185 2.800 0.436 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.649 3.908 1.175 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.924 1.462 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.064 0.458 -1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.747 1.851 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.211 2.020 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.038 0.426 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.217 2.005 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.760 1.772 2.392 1.00 0.00 H new ATOM 662 N CYS A 48 -5.112 4.127 -2.037 1.00 0.00 N ATOM 663 CA CYS A 48 -4.760 4.742 -3.366 1.00 0.00 C ATOM 664 C CYS A 48 -4.418 6.189 -3.027 1.00 0.00 C ATOM 665 O CYS A 48 -3.343 6.678 -3.297 1.00 0.00 O ATOM 666 CB CYS A 48 -6.021 4.534 -4.232 1.00 0.00 C ATOM 667 SG CYS A 48 -6.038 4.953 -5.990 1.00 0.00 S ATOM 0 H CYS A 48 -5.947 3.546 -2.105 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.918 4.328 -3.920 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.288 3.480 -4.155 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.825 5.102 -3.763 1.00 0.00 H new ATOM 672 N ASN A 49 -5.397 6.821 -2.444 1.00 0.00 N ATOM 673 CA ASN A 49 -5.269 8.239 -1.997 1.00 0.00 C ATOM 674 C ASN A 49 -4.035 8.371 -1.074 1.00 0.00 C ATOM 675 O ASN A 49 -3.286 9.322 -1.201 1.00 0.00 O ATOM 676 CB ASN A 49 -6.573 8.603 -1.282 1.00 0.00 C ATOM 677 CG ASN A 49 -7.563 8.798 -2.390 1.00 0.00 C ATOM 678 OD1 ASN A 49 -7.540 9.804 -3.060 1.00 0.00 O ATOM 679 ND2 ASN A 49 -8.453 7.915 -2.687 1.00 0.00 N ATOM 0 H ASN A 49 -6.307 6.403 -2.253 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.117 8.924 -2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.888 7.811 -0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.460 9.509 -0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.099 8.081 -3.459 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.512 7.050 -2.150 1.00 0.00 H new ATOM 686 N CYS A 50 -3.836 7.446 -0.162 1.00 0.00 N ATOM 687 CA CYS A 50 -2.628 7.567 0.727 1.00 0.00 C ATOM 688 C CYS A 50 -1.420 7.620 -0.257 1.00 0.00 C ATOM 689 O CYS A 50 -0.621 8.534 -0.177 1.00 0.00 O ATOM 690 CB CYS A 50 -2.560 6.327 1.669 1.00 0.00 C ATOM 691 SG CYS A 50 -4.125 5.779 2.396 1.00 0.00 S ATOM 0 H CYS A 50 -4.434 6.637 0.005 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.644 8.446 1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.135 5.495 1.108 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.867 6.552 2.480 1.00 0.00 H new ATOM 696 N LEU A 51 -1.331 6.642 -1.141 1.00 0.00 N ATOM 697 CA LEU A 51 -0.208 6.594 -2.157 1.00 0.00 C ATOM 698 C LEU A 51 -0.077 7.993 -2.721 1.00 0.00 C ATOM 699 O LEU A 51 0.906 8.652 -2.492 1.00 0.00 O ATOM 700 CB LEU A 51 -0.481 5.651 -3.404 1.00 0.00 C ATOM 701 CG LEU A 51 -0.809 4.197 -3.092 1.00 0.00 C ATOM 702 CD1 LEU A 51 -0.403 3.323 -4.299 1.00 0.00 C ATOM 703 CD2 LEU A 51 0.007 3.777 -1.940 1.00 0.00 C ATOM 0 H LEU A 51 -1.992 5.868 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 51 0.671 6.210 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.307 6.072 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.398 5.673 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.873 4.090 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.634 2.279 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.955 3.644 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.666 3.428 -4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.212 2.737 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.064 3.877 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.226 4.406 -1.081 1.00 0.00 H new ATOM 715 N LYS A 52 -1.111 8.360 -3.421 1.00 0.00 N ATOM 716 CA LYS A 52 -1.234 9.690 -4.081 1.00 0.00 C ATOM 717 C LYS A 52 -0.693 10.861 -3.251 1.00 0.00 C ATOM 718 O LYS A 52 0.213 11.575 -3.632 1.00 0.00 O ATOM 719 CB LYS A 52 -2.709 9.896 -4.385 1.00 0.00 C ATOM 720 CG LYS A 52 -3.122 9.026 -5.563 1.00 0.00 C ATOM 721 CD LYS A 52 -4.550 9.469 -5.932 1.00 0.00 C ATOM 722 CE LYS A 52 -5.069 8.643 -7.075 1.00 0.00 C ATOM 723 NZ LYS A 52 -4.712 9.310 -8.355 1.00 0.00 N ATOM 0 H LYS A 52 -1.920 7.757 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.620 9.683 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.308 9.646 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.899 10.945 -4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.442 9.159 -6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.097 7.969 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.207 9.362 -5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.552 10.524 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.641 7.641 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.150 8.531 -6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.579 9.521 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.204 10.195 -8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.103 8.681 -8.916 1.00 0.00 H new ATOM 737 N GLY A 53 -1.284 11.023 -2.101 1.00 0.00 N ATOM 738 CA GLY A 53 -0.875 12.129 -1.173 1.00 0.00 C ATOM 739 C GLY A 53 0.553 12.031 -0.665 1.00 0.00 C ATOM 740 O GLY A 53 1.187 13.059 -0.560 1.00 0.00 O ATOM 0 H GLY A 53 -2.041 10.434 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.999 13.082 -1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.551 12.137 -0.318 1.00 0.00 H new ATOM 744 N ILE A 54 1.040 10.864 -0.346 1.00 0.00 N ATOM 745 CA ILE A 54 2.463 10.797 0.146 1.00 0.00 C ATOM 746 C ILE A 54 3.334 10.956 -1.114 1.00 0.00 C ATOM 747 O ILE A 54 4.162 11.848 -1.183 1.00 0.00 O ATOM 748 CB ILE A 54 2.571 9.410 0.913 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.679 9.386 1.993 1.00 0.00 C ATOM 750 CG2 ILE A 54 2.634 8.143 0.043 1.00 0.00 C ATOM 751 CD1 ILE A 54 5.089 9.250 1.396 1.00 0.00 C ATOM 0 H ILE A 54 0.541 9.976 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 54 2.792 11.565 0.846 1.00 0.00 H new ATOM 0 HB ILE A 54 1.600 9.362 1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.626 10.301 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.497 8.556 2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.706 7.265 0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.733 8.075 -0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.508 8.191 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.825 9.239 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.156 8.321 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.287 10.094 0.735 1.00 0.00 H new ATOM 763 N ALA A 55 3.101 10.098 -2.071 1.00 0.00 N ATOM 764 CA ALA A 55 3.832 10.085 -3.390 1.00 0.00 C ATOM 765 C ALA A 55 4.061 11.543 -3.789 1.00 0.00 C ATOM 766 O ALA A 55 5.170 11.928 -4.096 1.00 0.00 O ATOM 767 CB ALA A 55 2.967 9.367 -4.424 1.00 0.00 C ATOM 0 H ALA A 55 2.397 9.364 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 55 4.787 9.564 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.485 9.351 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.780 8.345 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.018 9.892 -4.533 1.00 0.00 H new ATOM 773 N ARG A 56 2.961 12.260 -3.746 1.00 0.00 N ATOM 774 CA ARG A 56 2.856 13.716 -4.067 1.00 0.00 C ATOM 775 C ARG A 56 4.186 14.487 -4.110 1.00 0.00 C ATOM 776 O ARG A 56 4.441 15.189 -5.064 1.00 0.00 O ATOM 777 CB ARG A 56 1.909 14.299 -3.029 1.00 0.00 C ATOM 778 CG ARG A 56 1.652 15.811 -3.221 1.00 0.00 C ATOM 779 CD ARG A 56 0.472 16.184 -2.318 1.00 0.00 C ATOM 780 NE ARG A 56 -0.766 15.728 -3.041 1.00 0.00 N ATOM 781 CZ ARG A 56 -1.721 16.533 -3.291 1.00 0.00 C ATOM 782 NH1 ARG A 56 -2.588 16.745 -2.387 1.00 0.00 N ATOM 783 NH2 ARG A 56 -1.745 17.076 -4.435 1.00 0.00 N ATOM 0 H ARG A 56 2.064 11.854 -3.479 1.00 0.00 H new ATOM 0 HA ARG A 56 2.489 13.821 -5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.959 13.767 -3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.322 14.131 -2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.537 16.389 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.425 16.034 -4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.557 15.699 -1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.444 17.258 -2.137 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.842 14.755 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.510 16.275 -1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.362 17.385 -2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.016 16.863 -5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.493 17.727 -4.675 1.00 0.00 H new ATOM 797 N GLY A 57 4.980 14.342 -3.077 1.00 0.00 N ATOM 798 CA GLY A 57 6.314 15.049 -3.003 1.00 0.00 C ATOM 799 C GLY A 57 7.465 14.122 -2.592 1.00 0.00 C ATOM 800 O GLY A 57 8.561 14.572 -2.327 1.00 0.00 O ATOM 0 H GLY A 57 4.765 13.759 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.539 15.489 -3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.244 15.870 -2.289 1.00 0.00 H new ATOM 804 N ILE A 58 7.181 12.850 -2.535 1.00 0.00 N ATOM 805 CA ILE A 58 8.206 11.826 -2.149 1.00 0.00 C ATOM 806 C ILE A 58 9.651 11.948 -2.644 1.00 0.00 C ATOM 807 O ILE A 58 9.961 12.418 -3.717 1.00 0.00 O ATOM 808 CB ILE A 58 7.728 10.391 -2.575 1.00 0.00 C ATOM 809 CG1 ILE A 58 6.672 9.917 -1.572 1.00 0.00 C ATOM 810 CG2 ILE A 58 8.898 9.347 -2.615 1.00 0.00 C ATOM 811 CD1 ILE A 58 6.453 8.393 -1.671 1.00 0.00 C ATOM 0 H ILE A 58 6.260 12.464 -2.744 1.00 0.00 H new ATOM 0 HA ILE A 58 8.262 12.016 -1.077 1.00 0.00 H new ATOM 0 HB ILE A 58 7.324 10.460 -3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.984 10.177 -0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.731 10.435 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.508 8.375 -2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.652 9.673 -3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.348 9.267 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.698 8.086 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.117 8.138 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.389 7.876 -1.460 1.00 0.00 H new ATOM 823 N HIS A 59 10.461 11.445 -1.749 1.00 0.00 N ATOM 824 CA HIS A 59 11.955 11.341 -1.826 1.00 0.00 C ATOM 825 C HIS A 59 12.426 11.120 -3.300 1.00 0.00 C ATOM 826 O HIS A 59 12.621 12.080 -4.015 1.00 0.00 O ATOM 827 CB HIS A 59 12.247 10.183 -0.829 1.00 0.00 C ATOM 828 CG HIS A 59 13.502 10.475 -0.026 1.00 0.00 C ATOM 829 ND1 HIS A 59 14.697 10.193 -0.402 1.00 0.00 N ATOM 830 CD2 HIS A 59 13.661 11.071 1.208 1.00 0.00 C ATOM 831 CE1 HIS A 59 15.543 10.572 0.503 1.00 0.00 C ATOM 832 NE2 HIS A 59 14.939 11.125 1.525 1.00 0.00 N ATOM 0 H HIS A 59 10.102 11.062 -0.874 1.00 0.00 H new ATOM 0 HA HIS A 59 12.512 12.237 -1.551 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.400 10.053 -0.156 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.367 9.247 -1.375 1.00 0.00 H new ATOM 0 HD1 HIS A 59 14.943 9.739 -1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.855 11.440 1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.613 10.447 0.424 1.00 0.00 H new ATOM 840 N ASN A 60 12.624 9.895 -3.732 1.00 0.00 N ATOM 841 CA ASN A 60 13.054 9.641 -5.150 1.00 0.00 C ATOM 842 C ASN A 60 12.183 8.507 -5.749 1.00 0.00 C ATOM 843 O ASN A 60 12.661 7.509 -6.252 1.00 0.00 O ATOM 844 CB ASN A 60 14.611 9.299 -5.165 1.00 0.00 C ATOM 845 CG ASN A 60 15.143 8.555 -3.945 1.00 0.00 C ATOM 846 OD1 ASN A 60 14.998 8.981 -2.824 1.00 0.00 O ATOM 847 ND2 ASN A 60 15.784 7.439 -4.060 1.00 0.00 N ATOM 0 H ASN A 60 12.506 9.057 -3.163 1.00 0.00 H new ATOM 0 HA ASN A 60 12.908 10.524 -5.772 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.823 8.701 -6.052 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.167 10.231 -5.269 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.137 6.966 -3.228 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.937 7.031 -4.982 1.00 0.00 H new ATOM 854 N LEU A 61 10.898 8.750 -5.646 1.00 0.00 N ATOM 855 CA LEU A 61 9.825 7.816 -6.149 1.00 0.00 C ATOM 856 C LEU A 61 10.277 6.766 -7.196 1.00 0.00 C ATOM 857 O LEU A 61 10.297 7.006 -8.391 1.00 0.00 O ATOM 858 CB LEU A 61 8.694 8.702 -6.707 1.00 0.00 C ATOM 859 CG LEU A 61 7.500 7.864 -7.217 1.00 0.00 C ATOM 860 CD1 LEU A 61 7.138 6.725 -6.239 1.00 0.00 C ATOM 861 CD2 LEU A 61 6.290 8.815 -7.309 1.00 0.00 C ATOM 0 H LEU A 61 10.528 9.597 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 61 9.504 7.200 -5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.352 9.385 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.081 9.314 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 61 7.762 7.417 -8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.294 6.160 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.995 6.062 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.869 7.148 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.420 8.264 -7.667 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.077 9.229 -6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.516 9.625 -8.002 1.00 0.00 H new ATOM 873 N ASN A 62 10.616 5.607 -6.717 1.00 0.00 N ATOM 874 CA ASN A 62 11.081 4.520 -7.599 1.00 0.00 C ATOM 875 C ASN A 62 9.927 3.622 -8.047 1.00 0.00 C ATOM 876 O ASN A 62 9.843 2.468 -7.665 1.00 0.00 O ATOM 877 CB ASN A 62 12.154 3.821 -6.757 1.00 0.00 C ATOM 878 CG ASN A 62 13.180 3.102 -7.621 1.00 0.00 C ATOM 879 OD1 ASN A 62 12.869 2.698 -8.810 1.00 0.00 O flip ATOM 880 ND2 ASN A 62 14.305 2.883 -7.234 1.00 0.00 N flip ATOM 0 H ASN A 62 10.588 5.367 -5.726 1.00 0.00 H new ATOM 0 HA ASN A 62 11.492 4.861 -8.549 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.659 4.556 -6.131 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.679 3.105 -6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.592 3.185 -6.303 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.967 2.397 -7.839 1.00 0.00 H new ATOM 887 N LEU A 63 9.058 4.201 -8.842 1.00 0.00 N ATOM 888 CA LEU A 63 7.896 3.402 -9.344 1.00 0.00 C ATOM 889 C LEU A 63 8.372 2.011 -9.790 1.00 0.00 C ATOM 890 O LEU A 63 7.705 1.034 -9.549 1.00 0.00 O ATOM 891 CB LEU A 63 7.223 4.158 -10.520 1.00 0.00 C ATOM 892 CG LEU A 63 6.205 5.173 -9.959 1.00 0.00 C ATOM 893 CD1 LEU A 63 5.676 6.012 -11.111 1.00 0.00 C ATOM 894 CD2 LEU A 63 4.992 4.412 -9.392 1.00 0.00 C ATOM 0 H LEU A 63 9.100 5.170 -9.159 1.00 0.00 H new ATOM 0 HA LEU A 63 7.165 3.272 -8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.977 4.673 -11.115 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.722 3.452 -11.182 1.00 0.00 H new ATOM 0 HG LEU A 63 6.688 5.782 -9.195 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.954 6.736 -10.733 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.503 6.539 -11.587 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.191 5.364 -11.841 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.269 5.124 -8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.526 3.827 -10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.321 3.745 -8.595 1.00 0.00 H new ATOM 906 N ASN A 64 9.507 1.949 -10.433 1.00 0.00 N ATOM 907 CA ASN A 64 10.034 0.615 -10.882 1.00 0.00 C ATOM 908 C ASN A 64 10.088 -0.346 -9.654 1.00 0.00 C ATOM 909 O ASN A 64 9.587 -1.454 -9.665 1.00 0.00 O ATOM 910 CB ASN A 64 11.444 0.843 -11.481 1.00 0.00 C ATOM 911 CG ASN A 64 11.340 1.897 -12.569 1.00 0.00 C ATOM 912 OD1 ASN A 64 10.739 1.685 -13.593 1.00 0.00 O ATOM 913 ND2 ASN A 64 11.890 3.058 -12.431 1.00 0.00 N ATOM 0 H ASN A 64 10.091 2.752 -10.668 1.00 0.00 H new ATOM 0 HA ASN A 64 9.392 0.162 -11.637 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.138 1.167 -10.705 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.836 -0.088 -11.891 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.806 3.753 -13.173 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.408 3.279 -11.581 1.00 0.00 H new ATOM 920 N ASN A 65 10.702 0.135 -8.600 1.00 0.00 N ATOM 921 CA ASN A 65 10.869 -0.623 -7.318 1.00 0.00 C ATOM 922 C ASN A 65 9.470 -1.025 -6.829 1.00 0.00 C ATOM 923 O ASN A 65 9.192 -2.176 -6.556 1.00 0.00 O ATOM 924 CB ASN A 65 11.603 0.355 -6.408 1.00 0.00 C ATOM 925 CG ASN A 65 12.427 -0.252 -5.321 1.00 0.00 C ATOM 926 OD1 ASN A 65 13.275 -1.078 -5.571 1.00 0.00 O ATOM 927 ND2 ASN A 65 12.233 0.122 -4.110 1.00 0.00 N ATOM 0 H ASN A 65 11.114 1.068 -8.576 1.00 0.00 H new ATOM 0 HA ASN A 65 11.436 -1.552 -7.381 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.252 0.976 -7.025 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.867 1.017 -5.952 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.794 -0.277 -3.357 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.518 0.818 -3.900 1.00 0.00 H new ATOM 934 N ALA A 66 8.635 -0.029 -6.750 1.00 0.00 N ATOM 935 CA ALA A 66 7.219 -0.226 -6.296 1.00 0.00 C ATOM 936 C ALA A 66 6.633 -1.389 -7.123 1.00 0.00 C ATOM 937 O ALA A 66 6.119 -2.364 -6.613 1.00 0.00 O ATOM 938 CB ALA A 66 6.472 1.108 -6.539 1.00 0.00 C ATOM 0 H ALA A 66 8.873 0.935 -6.984 1.00 0.00 H new ATOM 0 HA ALA A 66 7.132 -0.480 -5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.434 1.007 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.951 1.903 -5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.504 1.355 -7.600 1.00 0.00 H new ATOM 944 N ALA A 67 6.749 -1.234 -8.411 1.00 0.00 N ATOM 945 CA ALA A 67 6.265 -2.230 -9.402 1.00 0.00 C ATOM 946 C ALA A 67 6.941 -3.580 -9.171 1.00 0.00 C ATOM 947 O ALA A 67 6.384 -4.623 -9.446 1.00 0.00 O ATOM 948 CB ALA A 67 6.573 -1.670 -10.801 1.00 0.00 C ATOM 0 H ALA A 67 7.182 -0.414 -8.835 1.00 0.00 H new ATOM 0 HA ALA A 67 5.193 -2.397 -9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.231 -2.375 -11.559 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.059 -0.718 -10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.648 -1.519 -10.904 1.00 0.00 H new ATOM 954 N SER A 68 8.130 -3.527 -8.655 1.00 0.00 N ATOM 955 CA SER A 68 8.879 -4.779 -8.384 1.00 0.00 C ATOM 956 C SER A 68 8.349 -5.401 -7.102 1.00 0.00 C ATOM 957 O SER A 68 8.566 -6.589 -6.919 1.00 0.00 O ATOM 958 CB SER A 68 10.381 -4.476 -8.215 1.00 0.00 C ATOM 959 OG SER A 68 10.948 -5.714 -7.777 1.00 0.00 O ATOM 0 H SER A 68 8.619 -2.667 -8.408 1.00 0.00 H new ATOM 0 HA SER A 68 8.748 -5.465 -9.221 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.827 -4.145 -9.153 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.547 -3.683 -7.485 1.00 0.00 H new ATOM 0 HG SER A 68 10.230 -6.336 -7.536 1.00 0.00 H new ATOM 965 N ILE A 69 7.676 -4.633 -6.267 1.00 0.00 N ATOM 966 CA ILE A 69 7.167 -5.273 -5.004 1.00 0.00 C ATOM 967 C ILE A 69 6.288 -6.486 -5.334 1.00 0.00 C ATOM 968 O ILE A 69 6.630 -7.571 -4.908 1.00 0.00 O ATOM 969 CB ILE A 69 6.343 -4.235 -4.132 1.00 0.00 C ATOM 970 CG1 ILE A 69 7.268 -3.380 -3.222 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.257 -4.939 -3.252 1.00 0.00 C ATOM 972 CD1 ILE A 69 7.913 -4.218 -2.073 1.00 0.00 C ATOM 0 H ILE A 69 7.465 -3.643 -6.394 1.00 0.00 H new ATOM 0 HA ILE A 69 8.030 -5.604 -4.426 1.00 0.00 H new ATOM 0 HB ILE A 69 5.843 -3.577 -4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.056 -2.932 -3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.693 -2.561 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.717 -4.190 -2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.558 -5.473 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.739 -5.645 -2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.550 -3.574 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.128 -4.644 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.512 -5.022 -2.501 1.00 0.00 H new ATOM 984 N PRO A 70 5.199 -6.337 -6.068 1.00 0.00 N ATOM 985 CA PRO A 70 4.225 -7.451 -6.239 1.00 0.00 C ATOM 986 C PRO A 70 4.938 -8.743 -6.650 1.00 0.00 C ATOM 987 O PRO A 70 4.648 -9.812 -6.144 1.00 0.00 O ATOM 988 CB PRO A 70 3.231 -6.915 -7.280 1.00 0.00 C ATOM 989 CG PRO A 70 4.023 -5.786 -7.998 1.00 0.00 C ATOM 990 CD PRO A 70 4.789 -5.137 -6.840 1.00 0.00 C ATOM 0 HA PRO A 70 3.705 -7.730 -5.323 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.923 -7.694 -7.977 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.326 -6.532 -6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 70 4.695 -6.182 -8.759 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.361 -5.077 -8.495 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.644 -4.556 -7.185 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.161 -4.464 -6.255 1.00 0.00 H new ATOM 998 N SER A 71 5.851 -8.551 -7.564 1.00 0.00 N ATOM 999 CA SER A 71 6.681 -9.676 -8.118 1.00 0.00 C ATOM 1000 C SER A 71 7.552 -10.312 -7.020 1.00 0.00 C ATOM 1001 O SER A 71 7.389 -11.469 -6.673 1.00 0.00 O ATOM 1002 CB SER A 71 7.595 -9.113 -9.238 1.00 0.00 C ATOM 1003 OG SER A 71 6.722 -8.671 -10.265 1.00 0.00 O ATOM 0 H SER A 71 6.066 -7.638 -7.964 1.00 0.00 H new ATOM 0 HA SER A 71 6.017 -10.444 -8.514 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.208 -8.292 -8.866 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.277 -9.879 -9.608 1.00 0.00 H new ATOM 0 HG SER A 71 7.248 -8.301 -11.004 1.00 0.00 H new ATOM 1009 N LYS A 72 8.430 -9.479 -6.519 1.00 0.00 N ATOM 1010 CA LYS A 72 9.415 -9.811 -5.449 1.00 0.00 C ATOM 1011 C LYS A 72 8.795 -10.509 -4.241 1.00 0.00 C ATOM 1012 O LYS A 72 9.358 -11.420 -3.673 1.00 0.00 O ATOM 1013 CB LYS A 72 10.018 -8.498 -5.077 1.00 0.00 C ATOM 1014 CG LYS A 72 11.182 -8.632 -4.085 1.00 0.00 C ATOM 1015 CD LYS A 72 11.293 -7.263 -3.369 1.00 0.00 C ATOM 1016 CE LYS A 72 11.219 -6.061 -4.312 1.00 0.00 C ATOM 1017 NZ LYS A 72 12.267 -6.162 -5.361 1.00 0.00 N ATOM 0 H LYS A 72 8.504 -8.512 -6.837 1.00 0.00 H new ATOM 0 HA LYS A 72 10.152 -10.529 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.372 -7.999 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.248 -7.861 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.994 -9.432 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.109 -8.878 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.494 -7.184 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.235 -7.226 -2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.234 -6.015 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.349 -5.138 -3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.878 -5.321 -5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.840 -7.014 -5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.817 -6.221 -6.297 1.00 0.00 H new ATOM 1031 N CYS A 73 7.646 -10.004 -3.907 1.00 0.00 N ATOM 1032 CA CYS A 73 6.868 -10.528 -2.757 1.00 0.00 C ATOM 1033 C CYS A 73 5.785 -11.561 -3.150 1.00 0.00 C ATOM 1034 O CYS A 73 4.992 -11.974 -2.326 1.00 0.00 O ATOM 1035 CB CYS A 73 6.315 -9.261 -2.121 1.00 0.00 C ATOM 1036 SG CYS A 73 7.524 -7.984 -1.683 1.00 0.00 S ATOM 0 H CYS A 73 7.201 -9.228 -4.397 1.00 0.00 H new ATOM 0 HA CYS A 73 7.477 -11.113 -2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.589 -8.823 -2.807 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.772 -9.541 -1.218 1.00 0.00 H new ATOM 1041 N ASN A 74 5.787 -11.964 -4.393 1.00 0.00 N ATOM 1042 CA ASN A 74 4.808 -12.955 -4.948 1.00 0.00 C ATOM 1043 C ASN A 74 3.405 -12.827 -4.306 1.00 0.00 C ATOM 1044 O ASN A 74 2.806 -13.734 -3.761 1.00 0.00 O ATOM 1045 CB ASN A 74 5.441 -14.347 -4.728 1.00 0.00 C ATOM 1046 CG ASN A 74 5.310 -15.108 -6.025 1.00 0.00 C ATOM 1047 OD1 ASN A 74 4.650 -16.111 -6.147 1.00 0.00 O ATOM 1048 ND2 ASN A 74 5.936 -14.649 -7.057 1.00 0.00 N ATOM 0 H ASN A 74 6.461 -11.630 -5.082 1.00 0.00 H new ATOM 0 HA ASN A 74 4.629 -12.775 -6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.488 -14.252 -4.442 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.936 -14.876 -3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.867 -15.133 -7.952 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.500 -13.803 -6.977 1.00 0.00 H new ATOM 1055 N VAL A 75 2.961 -11.612 -4.446 1.00 0.00 N ATOM 1056 CA VAL A 75 1.612 -11.161 -3.922 1.00 0.00 C ATOM 1057 C VAL A 75 0.666 -10.900 -5.094 1.00 0.00 C ATOM 1058 O VAL A 75 -0.456 -10.506 -4.864 1.00 0.00 O ATOM 1059 CB VAL A 75 1.820 -9.837 -3.005 1.00 0.00 C ATOM 1060 CG1 VAL A 75 3.165 -9.306 -3.347 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.900 -8.610 -3.249 1.00 0.00 C ATOM 0 H VAL A 75 3.486 -10.875 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 75 1.162 -11.938 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 75 1.624 -10.190 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.363 -8.410 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.921 -10.060 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.199 -9.058 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.167 -7.812 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.025 -8.259 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.139 -8.897 -3.088 1.00 0.00 H new ATOM 1071 N ASN A 76 1.155 -11.149 -6.283 1.00 0.00 N ATOM 1072 CA ASN A 76 0.437 -10.980 -7.589 1.00 0.00 C ATOM 1073 C ASN A 76 -0.658 -9.897 -7.752 1.00 0.00 C ATOM 1074 O ASN A 76 -0.514 -9.090 -8.641 1.00 0.00 O ATOM 1075 CB ASN A 76 -0.116 -12.401 -7.933 1.00 0.00 C ATOM 1076 CG ASN A 76 -0.759 -13.061 -6.712 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -0.111 -13.424 -5.756 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -2.038 -13.243 -6.674 1.00 0.00 N ATOM 0 H ASN A 76 2.107 -11.493 -6.408 1.00 0.00 H new ATOM 0 HA ASN A 76 1.174 -10.572 -8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.850 -12.323 -8.735 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.695 -13.029 -8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.467 -13.679 -5.858 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.618 -12.951 -7.460 1.00 0.00 H new ATOM 1085 N VAL A 77 -1.674 -9.909 -6.936 1.00 0.00 N ATOM 1086 CA VAL A 77 -2.812 -8.919 -6.976 1.00 0.00 C ATOM 1087 C VAL A 77 -2.738 -7.764 -8.055 1.00 0.00 C ATOM 1088 O VAL A 77 -1.882 -6.897 -8.003 1.00 0.00 O ATOM 1089 CB VAL A 77 -2.912 -8.365 -5.518 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -1.739 -7.448 -5.147 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -4.248 -7.656 -5.271 1.00 0.00 C ATOM 0 H VAL A 77 -1.774 -10.604 -6.196 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.708 -9.440 -7.313 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.859 -9.236 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.863 -7.094 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.804 -8.002 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.715 -6.595 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.279 -7.285 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.350 -6.820 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.067 -8.358 -5.428 1.00 0.00 H new ATOM 1101 N PRO A 78 -3.630 -7.774 -9.033 1.00 0.00 N ATOM 1102 CA PRO A 78 -3.776 -6.631 -10.009 1.00 0.00 C ATOM 1103 C PRO A 78 -4.100 -5.268 -9.338 1.00 0.00 C ATOM 1104 O PRO A 78 -5.169 -4.713 -9.486 1.00 0.00 O ATOM 1105 CB PRO A 78 -4.874 -7.121 -10.979 1.00 0.00 C ATOM 1106 CG PRO A 78 -5.702 -8.085 -10.103 1.00 0.00 C ATOM 1107 CD PRO A 78 -4.621 -8.859 -9.338 1.00 0.00 C ATOM 0 HA PRO A 78 -2.840 -6.407 -10.521 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.479 -6.296 -11.355 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.450 -7.626 -11.847 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.369 -7.548 -9.429 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.324 -8.747 -10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.013 -9.322 -8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.184 -9.655 -9.940 1.00 0.00 H new ATOM 1115 N TYR A 79 -3.157 -4.747 -8.613 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.343 -3.450 -7.910 1.00 0.00 C ATOM 1117 C TYR A 79 -2.675 -2.217 -8.572 1.00 0.00 C ATOM 1118 O TYR A 79 -1.758 -1.617 -8.052 1.00 0.00 O ATOM 1119 CB TYR A 79 -2.837 -3.744 -6.485 1.00 0.00 C ATOM 1120 CG TYR A 79 -2.841 -2.493 -5.638 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.023 -1.843 -5.498 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -1.709 -2.003 -5.024 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.127 -0.707 -4.765 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -1.791 -0.836 -4.273 1.00 0.00 C ATOM 1125 CZ TYR A 79 -3.004 -0.179 -4.139 1.00 0.00 C ATOM 1126 OH TYR A 79 -3.055 0.980 -3.398 1.00 0.00 O ATOM 0 H TYR A 79 -2.242 -5.175 -8.474 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.386 -3.134 -7.940 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.467 -4.503 -6.021 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.828 -4.153 -6.531 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.903 -2.240 -5.982 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.767 -2.521 -5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.082 -0.213 -4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.908 -0.441 -3.793 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.501 1.681 -3.918 1.00 0.00 H new ATOM 1136 N THR A 80 -3.179 -1.869 -9.726 1.00 0.00 N ATOM 1137 CA THR A 80 -2.681 -0.687 -10.552 1.00 0.00 C ATOM 1138 C THR A 80 -1.154 -0.491 -10.780 1.00 0.00 C ATOM 1139 O THR A 80 -0.660 -0.509 -11.891 1.00 0.00 O ATOM 1140 CB THR A 80 -3.185 0.615 -9.924 1.00 0.00 C ATOM 1141 OG1 THR A 80 -4.586 0.447 -9.779 1.00 0.00 O ATOM 1142 CG2 THR A 80 -3.078 1.756 -10.919 1.00 0.00 C ATOM 0 H THR A 80 -3.952 -2.370 -10.164 1.00 0.00 H new ATOM 0 HA THR A 80 -3.079 -0.934 -11.536 1.00 0.00 H new ATOM 0 HB THR A 80 -2.627 0.821 -9.010 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.013 1.324 -9.687 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.440 2.675 -10.459 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.037 1.884 -11.215 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.680 1.529 -11.799 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.423 -0.288 -9.713 1.00 0.00 N ATOM 1151 CA ILE A 81 1.074 -0.080 -9.776 1.00 0.00 C ATOM 1152 C ILE A 81 1.399 0.949 -10.913 1.00 0.00 C ATOM 1153 O ILE A 81 2.305 0.784 -11.707 1.00 0.00 O ATOM 1154 CB ILE A 81 1.643 -1.513 -10.025 1.00 0.00 C ATOM 1155 CG1 ILE A 81 1.206 -2.529 -8.920 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.202 -1.509 -10.059 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.893 -2.299 -7.553 1.00 0.00 C ATOM 0 H ILE A 81 -0.806 -0.255 -8.768 1.00 0.00 H new ATOM 0 HA ILE A 81 1.520 0.345 -8.877 1.00 0.00 H new ATOM 0 HB ILE A 81 1.237 -1.821 -10.988 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.126 -2.466 -8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.427 -3.540 -9.262 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.565 -2.522 -10.234 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.547 -0.856 -10.861 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.586 -1.146 -9.106 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.539 -3.042 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.973 -2.392 -7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.652 -1.301 -7.188 1.00 0.00 H new ATOM 1169 N SER A 82 0.627 2.011 -10.946 1.00 0.00 N ATOM 1170 CA SER A 82 0.832 3.075 -12.002 1.00 0.00 C ATOM 1171 C SER A 82 1.110 4.492 -11.426 1.00 0.00 C ATOM 1172 O SER A 82 0.824 4.731 -10.268 1.00 0.00 O ATOM 1173 CB SER A 82 -0.432 3.112 -12.879 1.00 0.00 C ATOM 1174 OG SER A 82 -0.612 1.784 -13.372 1.00 0.00 O ATOM 0 H SER A 82 -0.135 2.193 -10.293 1.00 0.00 H new ATOM 0 HA SER A 82 1.722 2.809 -12.572 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.298 3.434 -12.301 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.316 3.820 -13.700 1.00 0.00 H new ATOM 0 HG SER A 82 -0.681 1.162 -12.618 1.00 0.00 H new ATOM 1180 N PRO A 83 1.652 5.400 -12.225 1.00 0.00 N ATOM 1181 CA PRO A 83 2.068 6.775 -11.769 1.00 0.00 C ATOM 1182 C PRO A 83 1.259 7.436 -10.632 1.00 0.00 C ATOM 1183 O PRO A 83 1.796 7.641 -9.561 1.00 0.00 O ATOM 1184 CB PRO A 83 2.080 7.555 -13.098 1.00 0.00 C ATOM 1185 CG PRO A 83 2.711 6.510 -14.043 1.00 0.00 C ATOM 1186 CD PRO A 83 1.932 5.222 -13.690 1.00 0.00 C ATOM 0 HA PRO A 83 3.026 6.748 -11.250 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.079 7.847 -13.415 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.673 8.467 -13.036 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.587 6.784 -15.091 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.781 6.398 -13.867 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.014 5.132 -14.270 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.521 4.326 -13.884 1.00 0.00 H new ATOM 1194 N ASP A 84 0.020 7.745 -10.925 1.00 0.00 N ATOM 1195 CA ASP A 84 -0.940 8.387 -9.955 1.00 0.00 C ATOM 1196 C ASP A 84 -2.140 7.417 -9.877 1.00 0.00 C ATOM 1197 O ASP A 84 -3.280 7.753 -10.131 1.00 0.00 O ATOM 1198 CB ASP A 84 -1.378 9.788 -10.504 1.00 0.00 C ATOM 1199 CG ASP A 84 -2.426 10.435 -9.577 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -2.188 10.592 -8.393 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -3.490 10.762 -10.068 1.00 0.00 O ATOM 0 H ASP A 84 -0.390 7.571 -11.843 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.502 8.554 -8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.508 10.439 -10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.791 9.678 -11.507 1.00 0.00 H new ATOM 1206 N ILE A 85 -1.809 6.213 -9.507 1.00 0.00 N ATOM 1207 CA ILE A 85 -2.788 5.092 -9.362 1.00 0.00 C ATOM 1208 C ILE A 85 -4.287 5.471 -9.389 1.00 0.00 C ATOM 1209 O ILE A 85 -4.791 6.177 -8.542 1.00 0.00 O ATOM 1210 CB ILE A 85 -2.412 4.358 -8.031 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.477 3.297 -7.666 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -2.293 5.409 -6.900 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -2.941 2.392 -6.521 1.00 0.00 C ATOM 0 H ILE A 85 -0.850 5.945 -9.287 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.698 4.460 -10.246 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.461 3.842 -8.161 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.400 3.786 -7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.716 2.691 -8.540 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.031 4.911 -5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.518 6.132 -7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.246 5.925 -6.781 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.693 1.645 -6.265 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.030 1.892 -6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.724 3.003 -5.645 1.00 0.00 H new ATOM 1225 N ASP A 86 -4.978 4.982 -10.382 1.00 0.00 N ATOM 1226 CA ASP A 86 -6.420 5.321 -10.445 1.00 0.00 C ATOM 1227 C ASP A 86 -7.101 4.344 -9.497 1.00 0.00 C ATOM 1228 O ASP A 86 -6.816 3.154 -9.457 1.00 0.00 O ATOM 1229 CB ASP A 86 -7.072 5.068 -11.817 1.00 0.00 C ATOM 1230 CG ASP A 86 -6.224 5.447 -12.991 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -6.142 6.627 -13.253 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -5.728 4.489 -13.555 1.00 0.00 O ATOM 0 H ASP A 86 -4.620 4.384 -11.126 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.524 6.381 -10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.325 4.011 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.008 5.624 -11.867 1.00 0.00 H new ATOM 1237 N CYS A 87 -8.012 4.914 -8.775 1.00 0.00 N ATOM 1238 CA CYS A 87 -8.807 4.142 -7.791 1.00 0.00 C ATOM 1239 C CYS A 87 -10.056 3.900 -8.689 1.00 0.00 C ATOM 1240 O CYS A 87 -11.173 4.267 -8.417 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.996 5.098 -6.560 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.608 6.204 -6.209 1.00 0.00 S ATOM 0 H CYS A 87 -8.246 5.906 -8.826 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.439 3.213 -7.356 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.887 5.704 -6.726 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.185 4.489 -5.676 1.00 0.00 H new ATOM 1247 N SER A 88 -9.762 3.271 -9.796 1.00 0.00 N ATOM 1248 CA SER A 88 -10.784 2.918 -10.841 1.00 0.00 C ATOM 1249 C SER A 88 -10.646 1.442 -11.282 1.00 0.00 C ATOM 1250 O SER A 88 -11.613 0.818 -11.667 1.00 0.00 O ATOM 1251 CB SER A 88 -10.568 3.960 -11.985 1.00 0.00 C ATOM 1252 OG SER A 88 -11.471 3.663 -13.057 1.00 0.00 O ATOM 0 H SER A 88 -8.816 2.973 -10.033 1.00 0.00 H new ATOM 0 HA SER A 88 -11.810 2.978 -10.477 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.742 4.970 -11.614 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.538 3.924 -12.339 1.00 0.00 H new ATOM 0 HG SER A 88 -11.460 4.397 -13.706 1.00 0.00 H new ATOM 1258 N ARG A 89 -9.450 0.899 -11.222 1.00 0.00 N ATOM 1259 CA ARG A 89 -9.202 -0.540 -11.623 1.00 0.00 C ATOM 1260 C ARG A 89 -8.452 -1.336 -10.510 1.00 0.00 C ATOM 1261 O ARG A 89 -7.497 -2.040 -10.772 1.00 0.00 O ATOM 1262 CB ARG A 89 -8.362 -0.589 -12.970 1.00 0.00 C ATOM 1263 CG ARG A 89 -6.949 0.104 -12.915 1.00 0.00 C ATOM 1264 CD ARG A 89 -6.988 1.647 -12.943 1.00 0.00 C ATOM 1265 NE ARG A 89 -7.542 2.090 -14.273 1.00 0.00 N ATOM 1266 CZ ARG A 89 -8.571 2.841 -14.362 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -9.709 2.288 -14.278 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -8.378 4.088 -14.525 1.00 0.00 N ATOM 0 H ARG A 89 -8.617 1.396 -10.907 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.174 -1.010 -11.772 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.224 -1.632 -13.254 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.947 -0.118 -13.760 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.437 -0.217 -12.008 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.354 -0.247 -13.758 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.608 2.025 -12.130 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.987 2.053 -12.796 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.081 1.780 -15.128 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.777 1.279 -14.144 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.556 2.852 -14.344 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -7.428 4.454 -14.580 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -9.174 4.722 -14.601 1.00 0.00 H new ATOM 1282 N ILE A 90 -8.922 -1.214 -9.292 1.00 0.00 N ATOM 1283 CA ILE A 90 -8.264 -1.935 -8.144 1.00 0.00 C ATOM 1284 C ILE A 90 -9.124 -3.038 -7.496 1.00 0.00 C ATOM 1285 O ILE A 90 -10.331 -3.081 -7.656 1.00 0.00 O ATOM 1286 CB ILE A 90 -7.890 -0.815 -7.216 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -6.755 -0.013 -7.928 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -7.552 -1.314 -5.830 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -5.900 0.687 -6.957 1.00 0.00 C ATOM 0 H ILE A 90 -9.732 -0.648 -9.038 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.403 -2.522 -8.463 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.728 -0.143 -7.029 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.148 -0.693 -8.526 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.195 0.710 -8.615 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.288 -0.469 -5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.415 -1.830 -5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.709 -2.003 -5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.121 1.235 -7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.504 1.385 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.441 -0.039 -6.287 1.00 0.00 H new ATOM 1301 N TYR A 91 -8.459 -3.881 -6.762 1.00 0.00 N ATOM 1302 CA TYR A 91 -9.152 -5.021 -6.068 1.00 0.00 C ATOM 1303 C TYR A 91 -8.670 -5.036 -4.623 1.00 0.00 C ATOM 1304 O TYR A 91 -7.514 -4.677 -4.487 1.00 0.00 O ATOM 1305 CB TYR A 91 -8.785 -6.324 -6.810 1.00 0.00 C ATOM 1306 CG TYR A 91 -9.018 -5.998 -8.282 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -10.273 -6.003 -8.857 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -7.933 -5.636 -9.038 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -10.418 -5.635 -10.182 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -8.080 -5.271 -10.352 1.00 0.00 C ATOM 1311 CZ TYR A 91 -9.322 -5.269 -10.925 1.00 0.00 C ATOM 1312 OH TYR A 91 -9.462 -4.881 -12.236 1.00 0.00 O ATOM 1313 OXT TYR A 91 -9.453 -5.387 -3.757 1.00 0.00 O ATOM 0 H TYR A 91 -7.452 -3.836 -6.606 1.00 0.00 H new ATOM 0 HA TYR A 91 -10.237 -4.919 -6.075 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.749 -6.609 -6.625 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.408 -7.157 -6.484 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.136 -6.292 -8.276 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.949 -5.638 -8.593 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -11.398 -5.635 -10.635 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.216 -4.985 -10.934 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.583 -4.656 -12.606 1.00 0.00 H new TER 1323 TYR A 91 HETATM 1324 N1A COA A 92 1.272 11.915 9.368 1.00 0.00 N HETATM 1325 C2A COA A 92 0.138 12.001 10.066 1.00 0.00 C HETATM 1326 N3A COA A 92 -0.703 11.006 10.364 1.00 0.00 N HETATM 1327 C4A COA A 92 -0.303 9.800 9.869 1.00 0.00 C HETATM 1328 C5A COA A 92 0.837 9.576 9.136 1.00 0.00 C HETATM 1329 C6A COA A 92 1.643 10.713 8.893 1.00 0.00 C HETATM 1330 N6A COA A 92 2.779 10.646 8.213 1.00 0.00 N HETATM 1331 N7A COA A 92 0.945 8.242 8.774 1.00 0.00 N HETATM 1332 C8A COA A 92 -0.121 7.707 9.295 1.00 0.00 C HETATM 1333 N9A COA A 92 -0.934 8.562 9.974 1.00 0.00 N HETATM 1334 C1B COA A 92 -2.210 8.149 10.636 1.00 0.00 C HETATM 1335 C2B COA A 92 -2.646 9.044 11.791 1.00 0.00 C HETATM 1336 O2B COA A 92 -2.518 8.299 13.005 1.00 0.00 O HETATM 1337 C3B COA A 92 -4.104 9.381 11.497 1.00 0.00 C HETATM 1338 O3B COA A 92 -5.028 8.458 12.182 1.00 0.00 O HETATM 1339 P3B COA A 92 -5.303 6.867 12.088 1.00 0.00 P HETATM 1340 O7A COA A 92 -5.905 6.748 10.738 1.00 0.00 O HETATM 1341 O8A COA A 92 -3.997 6.203 12.291 1.00 0.00 O HETATM 1342 O9A COA A 92 -6.336 6.697 13.141 1.00 0.00 O HETATM 1343 C4B COA A 92 -4.164 9.241 9.957 1.00 0.00 C HETATM 1344 O4B COA A 92 -3.221 8.207 9.615 1.00 0.00 O HETATM 1345 C5B COA A 92 -3.755 10.592 9.367 1.00 0.00 C HETATM 1346 O5B COA A 92 -3.639 10.813 7.945 1.00 0.00 O HETATM 1347 P1A COA A 92 -3.481 12.378 7.556 1.00 0.00 P HETATM 1348 O1A COA A 92 -4.819 13.009 7.523 1.00 0.00 O HETATM 1349 O2A COA A 92 -2.483 12.914 8.505 1.00 0.00 O HETATM 1350 O3A COA A 92 -2.770 12.588 6.198 1.00 0.00 O HETATM 1351 P2A COA A 92 -3.281 11.763 5.005 1.00 0.00 P HETATM 1352 O4A COA A 92 -2.844 12.482 3.787 1.00 0.00 O HETATM 1353 O5A COA A 92 -4.704 11.437 5.187 1.00 0.00 O HETATM 1354 O6A COA A 92 -2.466 10.379 5.106 1.00 0.00 O HETATM 1355 CBP COA A 92 -0.199 9.239 4.997 1.00 0.00 C HETATM 1356 CCP COA A 92 -1.089 10.419 5.473 1.00 0.00 C HETATM 1357 CDP COA A 92 -0.680 7.889 5.603 1.00 0.00 C HETATM 1358 CEP COA A 92 -0.298 9.071 3.460 1.00 0.00 C HETATM 1359 CAP COA A 92 1.214 9.725 5.503 1.00 0.00 C HETATM 1360 OAP COA A 92 1.508 10.842 4.655 1.00 0.00 O HETATM 1361 C9P COA A 92 2.327 8.697 5.546 1.00 0.00 C HETATM 1362 O9P COA A 92 3.267 8.812 6.307 1.00 0.00 O HETATM 1363 N8P COA A 92 2.201 7.733 4.696 1.00 0.00 N HETATM 1364 C7P COA A 92 3.195 6.643 4.607 1.00 0.00 C HETATM 1365 C6P COA A 92 2.390 5.333 4.486 1.00 0.00 C HETATM 1366 C5P COA A 92 1.539 5.401 3.215 1.00 0.00 C HETATM 1367 O5P COA A 92 0.724 6.286 3.050 1.00 0.00 O HETATM 1368 N4P COA A 92 1.720 4.466 2.326 1.00 0.00 N HETATM 1369 C3P COA A 92 0.940 4.457 1.052 1.00 0.00 C HETATM 1370 C2P COA A 92 -0.126 3.408 1.197 1.00 0.00 C HETATM 1371 S1P COA A 92 0.334 1.695 1.579 1.00 0.00 S HETATM 0 HO2A COA A 92 -2.835 7.383 12.862 1.00 0.00 H new HETATM 0 H62A COA A 92 3.096 9.753 7.836 1.00 0.00 H new HETATM 0 H61A COA A 92 3.336 11.488 8.067 1.00 0.00 H new HETATM 0 H52A COA A 92 -4.471 11.325 9.739 1.00 0.00 H new HETATM 0 H51A COA A 92 -2.787 10.842 9.802 1.00 0.00 H new HETATM 0 H143 COA A 92 -1.332 8.869 3.182 1.00 0.00 H new HETATM 0 H142 COA A 92 0.037 9.986 2.972 1.00 0.00 H new HETATM 0 H141 COA A 92 0.332 8.240 3.144 1.00 0.00 H new HETATM 0 H133 COA A 92 -0.634 7.941 6.691 1.00 0.00 H new HETATM 0 H132 COA A 92 -1.707 7.696 5.292 1.00 0.00 H new HETATM 0 H131 COA A 92 -0.037 7.082 5.251 1.00 0.00 H new HETATM 0 H122 COA A 92 -0.662 11.344 5.085 1.00 0.00 H new HETATM 0 H121 COA A 92 -1.029 10.471 6.560 1.00 0.00 H new HETATM 0 HO1 COA A 92 2.380 11.217 4.899 1.00 0.00 H new HETATM 0 HN8 COA A 92 1.395 7.724 4.070 1.00 0.00 H new HETATM 0 HN4 COA A 92 2.404 3.730 2.502 1.00 0.00 H new HETATM 0 H8A COA A 92 -0.348 6.646 9.194 1.00 0.00 H new HETATM 0 H72 COA A 92 3.847 6.780 3.744 1.00 0.00 H new HETATM 0 H71 COA A 92 3.834 6.627 5.490 1.00 0.00 H new HETATM 0 H62 COA A 92 3.064 4.477 4.445 1.00 0.00 H new HETATM 0 H61 COA A 92 1.754 5.197 5.361 1.00 0.00 H new HETATM 0 H4B COA A 92 -5.150 8.978 9.575 1.00 0.00 H new HETATM 0 H3B COA A 92 -4.409 10.365 11.852 1.00 0.00 H new HETATM 0 H32 COA A 92 0.496 5.435 0.865 1.00 0.00 H new HETATM 0 H31 COA A 92 1.588 4.234 0.205 1.00 0.00 H new HETATM 0 H2B COA A 92 -2.052 9.952 11.895 1.00 0.00 H new HETATM 0 H2A COA A 92 -0.132 12.991 10.433 1.00 0.00 H new HETATM 0 H22 COA A 92 -0.807 3.743 1.980 1.00 0.00 H new HETATM 0 H21 COA A 92 -0.694 3.392 0.267 1.00 0.00 H new HETATM 0 H1B COA A 92 -2.061 7.160 11.069 1.00 0.00 H new HETATM 0 H10 COA A 92 1.161 9.973 6.563 1.00 0.00 H new HETATM 1403 C1 PLM A 96 2.047 1.710 0.985 1.00 0.00 C HETATM 1404 O1 PLM A 96 2.988 1.832 1.734 1.00 0.00 O HETATM 1405 C2 PLM A 96 2.279 1.575 -0.513 1.00 0.00 C HETATM 1406 C3 PLM A 96 2.131 0.286 -1.192 1.00 0.00 C HETATM 1407 C4 PLM A 96 0.870 -0.379 -0.781 1.00 0.00 C HETATM 1408 C5 PLM A 96 -0.404 0.350 -1.180 1.00 0.00 C HETATM 1409 C6 PLM A 96 -1.584 -0.615 -1.088 1.00 0.00 C HETATM 1410 C7 PLM A 96 -1.863 -1.112 0.356 1.00 0.00 C HETATM 1411 C8 PLM A 96 -2.939 -2.273 0.411 1.00 0.00 C HETATM 1412 C9 PLM A 96 -4.340 -1.892 -0.108 1.00 0.00 C HETATM 1413 CA PLM A 96 -4.489 -1.959 -1.627 1.00 0.00 C HETATM 1414 CB PLM A 96 -4.789 -3.398 -2.158 1.00 0.00 C HETATM 1415 CC PLM A 96 -3.558 -4.348 -2.074 1.00 0.00 C HETATM 1416 CD PLM A 96 -2.377 -3.766 -2.913 1.00 0.00 C HETATM 1417 CE PLM A 96 -0.934 -3.646 -2.259 1.00 0.00 C HETATM 1418 CF PLM A 96 -0.198 -4.940 -2.148 1.00 0.00 C HETATM 1419 CG PLM A 96 -1.106 -5.892 -1.405 1.00 0.00 C HETATM 0 HG3 PLM A 96 -1.329 -5.487 -0.418 1.00 0.00 H new HETATM 0 HG2 PLM A 96 -2.034 -6.020 -1.963 1.00 0.00 H new HETATM 0 HG1 PLM A 96 -0.611 -6.857 -1.297 1.00 0.00 H new HETATM 0 HF2 PLM A 96 0.049 -5.331 -3.135 1.00 0.00 H new HETATM 0 HF1 PLM A 96 0.743 -4.806 -1.614 1.00 0.00 H new HETATM 0 HE2 PLM A 96 -0.337 -2.952 -2.850 1.00 0.00 H new HETATM 0 HE1 PLM A 96 -1.034 -3.212 -1.264 1.00 0.00 H new HETATM 0 HD2 PLM A 96 -2.279 -4.380 -3.808 1.00 0.00 H new HETATM 0 HD1 PLM A 96 -2.670 -2.769 -3.241 1.00 0.00 H new HETATM 0 HC2 PLM A 96 -3.252 -4.469 -1.035 1.00 0.00 H new HETATM 0 HC1 PLM A 96 -3.826 -5.337 -2.445 1.00 0.00 H new HETATM 0 HB2 PLM A 96 -5.611 -3.826 -1.585 1.00 0.00 H new HETATM 0 HB1 PLM A 96 -5.122 -3.335 -3.194 1.00 0.00 H new HETATM 0 HA2 PLM A 96 -5.293 -1.291 -1.936 1.00 0.00 H new HETATM 0 HA1 PLM A 96 -3.574 -1.592 -2.091 1.00 0.00 H new HETATM 0 H92 PLM A 96 -5.076 -2.555 0.347 1.00 0.00 H new HETATM 0 H91 PLM A 96 -4.575 -0.881 0.224 1.00 0.00 H new HETATM 0 H82 PLM A 96 -2.570 -3.117 -0.172 1.00 0.00 H new HETATM 0 H81 PLM A 96 -3.031 -2.613 1.442 1.00 0.00 H new HETATM 0 H72 PLM A 96 -0.932 -1.465 0.800 1.00 0.00 H new HETATM 0 H71 PLM A 96 -2.208 -0.275 0.963 1.00 0.00 H new HETATM 0 H62 PLM A 96 -2.477 -0.123 -1.474 1.00 0.00 H new HETATM 0 H61 PLM A 96 -1.391 -1.475 -1.729 1.00 0.00 H new HETATM 0 H52 PLM A 96 -0.567 1.206 -0.526 1.00 0.00 H new HETATM 0 H51 PLM A 96 -0.313 0.737 -2.195 1.00 0.00 H new HETATM 0 H42 PLM A 96 0.848 -1.380 -1.213 1.00 0.00 H new HETATM 0 H41 PLM A 96 0.877 -0.499 0.302 1.00 0.00 H new HETATM 0 H32 PLM A 96 2.135 0.435 -2.272 1.00 0.00 H new HETATM 0 H31 PLM A 96 2.980 -0.355 -0.956 1.00 0.00 H new HETATM 0 H22 PLM A 96 1.601 2.273 -1.004 1.00 0.00 H new HETATM 0 H21 PLM A 96 3.293 1.924 -0.710 1.00 0.00 H new