USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 883 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 ASN : amide:sc= -1.47 K(o=-2.8,f=-10!) USER MOD Set 1.2: A 113 THR OG1 : rot -49:sc= -1.3! USER MOD Set 2.1: A 15 SER OG : rot -160:sc= -0.0807 USER MOD Set 2.2: A 66 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 61 LYS NZ :NH3+ -140:sc= 1.17 (180deg=0) USER MOD Set 3.2: A 73 CYS SG : rot 130:sc= 1.13 USER MOD Set 4.1: A 45 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.019) USER MOD Set 4.2: A 47 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 34 MET CE :methyl -131:sc= -0.584 (180deg=-1.79!) USER MOD Set 5.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 8 GLN : amide:sc= -3.34 K(o=-2.8,f=-0.17) USER MOD Set 6.2: A 9 GLN : amide:sc= 0.53 K(o=-2.8,f=-0.17) USER MOD Single : A 1 MET CE :methyl 142:sc= -0.0628 (180deg=-0.937) USER MOD Single : A 1 MET N :NH3+ -142:sc= 0.278 (180deg=-0.898) USER MOD Single : A 2 ASN : amide:sc= -5.69! C(o=-5.7!,f=-7.8!) USER MOD Single : A 3 THR OG1 : rot -112:sc= 0.542 USER MOD Single : A 10 LYS NZ :NH3+ -116:sc= 0.382 (180deg=-2.9!) USER MOD Single : A 20 SER OG : rot -98:sc= 0.725 USER MOD Single : A 22 ASN : amide:sc=-0.00335 X(o=-0.0034,f=0) USER MOD Single : A 36 SER OG : rot 13:sc= -0.132 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 144:sc= 1.24 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 101:sc= 1.25 USER MOD Single : A 58 HIS : no HD1:sc= -0.547 X(o=-0.55,f=-0.2) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -170:sc= -0.286 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= -0.0696 (180deg=-0.0696) USER MOD Single : A 84 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.231) USER MOD Single : A 86 ASN : amide:sc= -3.51! K(o=-3.5!,f=-0.34) USER MOD Single : A 87 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.31) USER MOD Single : A 89 GLN : amide:sc= -3.83! C(o=-3.8!,f=-8.7!) USER MOD Single : A 91 GLN : amide:sc= -0.0811 K(o=-0.081,f=-0.59) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 26:sc= 0.118 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -141:sc= -0.0634 (180deg=-2.06) USER MOD Single : A 103 HIS : no HD1:sc= -2 K(o=-2,f=-2.9!) USER MOD Single : A 105 THR OG1 : rot 37:sc= 1.44 USER MOD Single : A 109 TYR OH : rot -133:sc= 1.85 USER MOD Single : A 111 SER OG : rot 22:sc= 1.15 USER MOD Single : A 114 ASN : amide:sc= -1.91 K(o=-1.9,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.080 4.981 4.427 1.00 0.00 N ATOM 2 CA MET A 1 3.036 5.117 5.440 1.00 0.00 C ATOM 3 C MET A 1 1.844 5.809 4.833 1.00 0.00 C ATOM 4 O MET A 1 1.988 6.723 4.031 1.00 0.00 O ATOM 5 CB MET A 1 3.538 5.909 6.663 1.00 0.00 C ATOM 6 CG MET A 1 2.449 6.276 7.690 1.00 0.00 C ATOM 7 SD MET A 1 3.112 7.062 9.171 1.00 0.00 S ATOM 8 CE MET A 1 3.900 8.524 8.495 1.00 0.00 C ATOM 0 H1 MET A 1 4.556 4.063 4.540 1.00 0.00 H new ATOM 0 H2 MET A 1 3.654 5.036 3.480 1.00 0.00 H new ATOM 0 H3 MET A 1 4.775 5.747 4.539 1.00 0.00 H new ATOM 0 HA MET A 1 2.755 4.121 5.783 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.308 5.324 7.165 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.012 6.827 6.314 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.727 6.946 7.222 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.908 5.374 7.976 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.749 9.365 9.172 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.968 8.340 8.377 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.462 8.757 7.524 1.00 0.00 H new ATOM 18 N ASN A 2 0.677 5.343 5.193 1.00 0.00 N ATOM 19 CA ASN A 2 -0.568 5.946 4.781 1.00 0.00 C ATOM 20 C ASN A 2 -0.943 6.745 5.988 1.00 0.00 C ATOM 21 O ASN A 2 -1.287 6.163 6.975 1.00 0.00 O ATOM 22 CB ASN A 2 -1.651 4.876 4.554 1.00 0.00 C ATOM 23 CG ASN A 2 -1.184 3.698 3.725 1.00 0.00 C ATOM 24 OD1 ASN A 2 -1.322 3.656 2.529 1.00 0.00 O ATOM 25 ND2 ASN A 2 -0.621 2.725 4.372 1.00 0.00 N ATOM 0 H ASN A 2 0.561 4.523 5.789 1.00 0.00 H new ATOM 0 HA ASN A 2 -0.478 6.513 3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.997 4.513 5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.507 5.338 4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.285 1.904 3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.514 2.781 5.385 1.00 0.00 H new ATOM 32 N THR A 3 -0.743 8.034 5.957 1.00 0.00 N ATOM 33 CA THR A 3 -0.958 8.850 7.142 1.00 0.00 C ATOM 34 C THR A 3 -2.248 9.699 7.023 1.00 0.00 C ATOM 35 O THR A 3 -3.079 9.481 6.110 1.00 0.00 O ATOM 36 CB THR A 3 0.325 9.708 7.415 1.00 0.00 C ATOM 37 OG1 THR A 3 0.210 10.511 8.597 1.00 0.00 O ATOM 38 CG2 THR A 3 0.681 10.589 6.229 1.00 0.00 C ATOM 0 H THR A 3 -0.433 8.549 5.133 1.00 0.00 H new ATOM 0 HA THR A 3 -1.119 8.206 8.006 1.00 0.00 H new ATOM 0 HB THR A 3 1.130 8.990 7.573 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.176 11.458 8.347 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.576 11.167 6.460 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.868 9.965 5.355 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.145 11.268 6.019 1.00 0.00 H new ATOM 46 N ASP A 4 -2.384 10.689 7.888 1.00 0.00 N ATOM 47 CA ASP A 4 -3.546 11.548 8.020 1.00 0.00 C ATOM 48 C ASP A 4 -3.474 12.658 7.001 1.00 0.00 C ATOM 49 O ASP A 4 -2.981 13.741 7.301 1.00 0.00 O ATOM 50 CB ASP A 4 -3.615 12.225 9.407 1.00 0.00 C ATOM 51 CG ASP A 4 -3.489 11.314 10.608 1.00 0.00 C ATOM 52 OD1 ASP A 4 -2.340 11.059 11.052 1.00 0.00 O ATOM 53 OD2 ASP A 4 -4.529 10.907 11.167 1.00 0.00 O ATOM 0 H ASP A 4 -1.647 10.927 8.552 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.421 10.914 7.877 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.824 12.973 9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.563 12.757 9.480 1.00 0.00 H new ATOM 58 N VAL A 5 -3.886 12.380 5.782 1.00 0.00 N ATOM 59 CA VAL A 5 -3.852 13.349 4.732 1.00 0.00 C ATOM 60 C VAL A 5 -4.482 12.693 3.552 1.00 0.00 C ATOM 61 O VAL A 5 -5.458 13.157 2.993 1.00 0.00 O ATOM 62 CB VAL A 5 -2.394 13.830 4.402 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.433 12.679 4.082 1.00 0.00 C ATOM 64 CG2 VAL A 5 -2.419 14.843 3.273 1.00 0.00 C ATOM 0 H VAL A 5 -4.253 11.471 5.501 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.387 14.251 5.029 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.007 14.303 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.444 13.081 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.371 12.008 4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.800 12.128 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.402 15.169 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.853 14.386 2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.020 15.703 3.569 1.00 0.00 H new ATOM 74 N LEU A 6 -4.010 11.514 3.291 1.00 0.00 N ATOM 75 CA LEU A 6 -4.430 10.826 2.146 1.00 0.00 C ATOM 76 C LEU A 6 -5.281 9.642 2.484 1.00 0.00 C ATOM 77 O LEU A 6 -6.243 9.376 1.805 1.00 0.00 O ATOM 78 CB LEU A 6 -3.244 10.500 1.224 1.00 0.00 C ATOM 79 CG LEU A 6 -2.245 9.381 1.585 1.00 0.00 C ATOM 80 CD1 LEU A 6 -1.011 9.515 0.731 1.00 0.00 C ATOM 81 CD2 LEU A 6 -1.858 9.279 3.060 1.00 0.00 C ATOM 0 H LEU A 6 -3.330 11.019 3.869 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.080 11.487 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.657 10.256 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.668 11.418 1.107 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.774 8.450 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.305 8.725 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.285 9.432 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.549 10.486 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.153 8.459 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.395 10.212 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.750 9.093 3.658 1.00 0.00 H new ATOM 93 N ASN A 7 -4.995 8.953 3.554 1.00 0.00 N ATOM 94 CA ASN A 7 -5.765 7.791 3.784 1.00 0.00 C ATOM 95 C ASN A 7 -7.022 8.103 4.519 1.00 0.00 C ATOM 96 O ASN A 7 -7.988 7.560 4.232 1.00 0.00 O ATOM 97 CB ASN A 7 -4.990 6.692 4.445 1.00 0.00 C ATOM 98 CG ASN A 7 -5.654 5.345 4.149 1.00 0.00 C ATOM 99 OD1 ASN A 7 -6.558 4.900 4.855 1.00 0.00 O ATOM 100 ND2 ASN A 7 -5.215 4.688 3.100 1.00 0.00 N ATOM 0 H ASN A 7 -4.272 9.169 4.240 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.043 7.411 2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.962 6.689 4.083 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.948 6.859 5.521 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.625 3.787 2.854 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.464 5.079 2.531 1.00 0.00 H new ATOM 107 N GLN A 8 -7.038 9.083 5.371 1.00 0.00 N ATOM 108 CA GLN A 8 -8.292 9.378 6.059 1.00 0.00 C ATOM 109 C GLN A 8 -9.095 10.468 5.368 1.00 0.00 C ATOM 110 O GLN A 8 -10.315 10.428 5.325 1.00 0.00 O ATOM 111 CB GLN A 8 -8.120 9.554 7.583 1.00 0.00 C ATOM 112 CG GLN A 8 -6.863 10.281 8.024 1.00 0.00 C ATOM 113 CD GLN A 8 -6.962 11.764 7.816 1.00 0.00 C ATOM 114 OE1 GLN A 8 -7.375 12.495 8.695 1.00 0.00 O ATOM 115 NE2 GLN A 8 -6.584 12.220 6.656 1.00 0.00 N ATOM 0 H GLN A 8 -6.245 9.678 5.610 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.916 8.489 5.972 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.984 10.095 7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.129 8.568 8.047 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.678 10.076 9.078 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.008 9.894 7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.243 11.577 5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.629 13.220 6.462 1.00 0.00 H new ATOM 124 N GLN A 9 -8.409 11.321 4.643 1.00 0.00 N ATOM 125 CA GLN A 9 -9.119 12.410 4.028 1.00 0.00 C ATOM 126 C GLN A 9 -9.385 12.089 2.597 1.00 0.00 C ATOM 127 O GLN A 9 -10.517 12.095 2.122 1.00 0.00 O ATOM 128 CB GLN A 9 -8.383 13.740 4.182 1.00 0.00 C ATOM 129 CG GLN A 9 -8.522 14.352 5.568 1.00 0.00 C ATOM 130 CD GLN A 9 -7.489 15.418 5.837 1.00 0.00 C ATOM 131 OE1 GLN A 9 -6.400 15.108 6.320 1.00 0.00 O ATOM 132 NE2 GLN A 9 -7.812 16.661 5.557 1.00 0.00 N ATOM 0 H GLN A 9 -7.404 11.285 4.471 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.071 12.532 4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.326 13.589 3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.763 14.445 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.518 14.782 5.673 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.433 13.567 6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.726 16.873 5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.148 17.414 5.739 1.00 0.00 H new ATOM 141 N LYS A 10 -8.327 11.708 1.944 1.00 0.00 N ATOM 142 CA LYS A 10 -8.358 11.430 0.556 1.00 0.00 C ATOM 143 C LYS A 10 -9.028 10.056 0.282 1.00 0.00 C ATOM 144 O LYS A 10 -9.491 9.812 -0.833 1.00 0.00 O ATOM 145 CB LYS A 10 -6.930 11.578 0.029 1.00 0.00 C ATOM 146 CG LYS A 10 -6.742 12.240 -1.322 1.00 0.00 C ATOM 147 CD LYS A 10 -7.343 11.459 -2.452 1.00 0.00 C ATOM 148 CE LYS A 10 -6.802 10.051 -2.507 1.00 0.00 C ATOM 149 NZ LYS A 10 -7.418 9.321 -3.633 1.00 0.00 N ATOM 0 H LYS A 10 -7.411 11.583 2.375 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.983 12.135 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.359 12.146 0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.486 10.584 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.189 13.234 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.676 12.374 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.427 11.428 -2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.136 11.965 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.719 10.072 -2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.010 9.535 -1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.984 8.530 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.032 9.966 -4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.672 8.953 -4.257 1.00 0.00 H new ATOM 163 N ILE A 11 -9.126 9.154 1.287 1.00 0.00 N ATOM 164 CA ILE A 11 -9.919 7.953 1.042 1.00 0.00 C ATOM 165 C ILE A 11 -11.359 8.294 1.224 1.00 0.00 C ATOM 166 O ILE A 11 -12.199 7.811 0.489 1.00 0.00 O ATOM 167 CB ILE A 11 -9.570 6.701 1.918 1.00 0.00 C ATOM 168 CG1 ILE A 11 -9.964 5.432 1.208 1.00 0.00 C ATOM 169 CG2 ILE A 11 -10.390 6.690 3.229 1.00 0.00 C ATOM 170 CD1 ILE A 11 -9.631 4.166 1.960 1.00 0.00 C ATOM 0 H ILE A 11 -8.695 9.232 2.208 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.679 7.650 0.023 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.498 6.754 2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.037 5.455 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.468 5.404 0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.126 5.810 3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.169 7.589 3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.454 6.663 2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.949 3.302 1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.555 4.115 2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.148 4.166 2.920 1.00 0.00 H new ATOM 182 N GLU A 12 -11.636 9.175 2.151 1.00 0.00 N ATOM 183 CA GLU A 12 -12.973 9.546 2.388 1.00 0.00 C ATOM 184 C GLU A 12 -13.592 10.199 1.161 1.00 0.00 C ATOM 185 O GLU A 12 -14.688 9.810 0.737 1.00 0.00 O ATOM 186 CB GLU A 12 -13.032 10.345 3.678 1.00 0.00 C ATOM 187 CG GLU A 12 -13.177 9.428 4.889 1.00 0.00 C ATOM 188 CD GLU A 12 -14.433 8.597 4.810 1.00 0.00 C ATOM 189 OE1 GLU A 12 -15.537 9.153 4.955 1.00 0.00 O ATOM 190 OE2 GLU A 12 -14.348 7.385 4.560 1.00 0.00 O ATOM 0 H GLU A 12 -10.945 9.637 2.742 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.608 8.674 2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.128 10.945 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.872 11.039 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.309 8.771 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.193 10.027 5.800 1.00 0.00 H new ATOM 197 N GLU A 13 -12.820 11.074 0.536 1.00 0.00 N ATOM 198 CA GLU A 13 -13.246 11.795 -0.650 1.00 0.00 C ATOM 199 C GLU A 13 -13.258 10.948 -1.936 1.00 0.00 C ATOM 200 O GLU A 13 -14.222 11.012 -2.706 1.00 0.00 O ATOM 201 CB GLU A 13 -12.385 13.047 -0.832 1.00 0.00 C ATOM 202 CG GLU A 13 -10.905 12.806 -1.084 1.00 0.00 C ATOM 203 CD GLU A 13 -10.424 13.218 -2.464 1.00 0.00 C ATOM 204 OE1 GLU A 13 -10.567 12.442 -3.416 1.00 0.00 O ATOM 205 OE2 GLU A 13 -9.879 14.329 -2.619 1.00 0.00 O ATOM 0 H GLU A 13 -11.874 11.304 0.841 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.286 12.075 -0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.787 13.622 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.486 13.666 0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.329 13.350 -0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.693 11.746 -0.941 1.00 0.00 H new ATOM 212 N LEU A 14 -12.199 10.181 -2.181 1.00 0.00 N ATOM 213 CA LEU A 14 -12.082 9.466 -3.432 1.00 0.00 C ATOM 214 C LEU A 14 -12.758 8.126 -3.350 1.00 0.00 C ATOM 215 O LEU A 14 -13.464 7.751 -4.278 1.00 0.00 O ATOM 216 CB LEU A 14 -10.613 9.335 -3.849 1.00 0.00 C ATOM 217 CG LEU A 14 -10.301 8.996 -5.326 1.00 0.00 C ATOM 218 CD1 LEU A 14 -10.716 7.588 -5.713 1.00 0.00 C ATOM 219 CD2 LEU A 14 -10.970 10.013 -6.228 1.00 0.00 C ATOM 0 H LEU A 14 -11.423 10.044 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.592 10.041 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.114 10.274 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.157 8.565 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.219 9.040 -5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.471 7.411 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.186 6.868 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.790 7.472 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.751 9.776 -7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.048 9.987 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.593 11.009 -5.996 1.00 0.00 H new ATOM 231 N SER A 15 -12.521 7.396 -2.266 1.00 0.00 N ATOM 232 CA SER A 15 -13.171 6.138 -2.097 1.00 0.00 C ATOM 233 C SER A 15 -14.653 6.379 -2.017 1.00 0.00 C ATOM 234 O SER A 15 -15.320 6.123 -3.003 1.00 0.00 O ATOM 235 CB SER A 15 -12.560 5.312 -0.957 1.00 0.00 C ATOM 236 OG SER A 15 -11.326 4.744 -1.396 1.00 0.00 O ATOM 0 H SER A 15 -11.890 7.664 -1.511 1.00 0.00 H new ATOM 0 HA SER A 15 -13.003 5.495 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.393 5.943 -0.084 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.249 4.524 -0.654 1.00 0.00 H new ATOM 0 HG SER A 15 -11.093 3.985 -0.822 1.00 0.00 H new ATOM 242 N ALA A 16 -15.164 6.910 -0.903 1.00 0.00 N ATOM 243 CA ALA A 16 -16.557 7.354 -0.864 1.00 0.00 C ATOM 244 C ALA A 16 -17.563 6.359 -1.515 1.00 0.00 C ATOM 245 O ALA A 16 -17.498 5.162 -1.300 1.00 0.00 O ATOM 246 CB ALA A 16 -16.597 8.696 -1.582 1.00 0.00 C ATOM 0 H ALA A 16 -14.646 7.041 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.875 7.423 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.618 9.077 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.946 9.403 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.255 8.569 -2.609 1.00 0.00 H new ATOM 252 N GLU A 17 -18.452 6.916 -2.338 1.00 0.00 N ATOM 253 CA GLU A 17 -19.487 6.249 -3.153 1.00 0.00 C ATOM 254 C GLU A 17 -18.915 5.050 -3.907 1.00 0.00 C ATOM 255 O GLU A 17 -19.614 4.080 -4.187 1.00 0.00 O ATOM 256 CB GLU A 17 -19.991 7.232 -4.224 1.00 0.00 C ATOM 257 CG GLU A 17 -20.082 8.694 -3.793 1.00 0.00 C ATOM 258 CD GLU A 17 -21.031 8.954 -2.652 1.00 0.00 C ATOM 259 OE1 GLU A 17 -20.760 8.528 -1.518 1.00 0.00 O ATOM 260 OE2 GLU A 17 -22.012 9.684 -2.852 1.00 0.00 O ATOM 0 H GLU A 17 -18.475 7.927 -2.468 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.279 5.925 -2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.330 7.168 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.978 6.907 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.088 9.037 -3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.392 9.293 -4.649 1.00 0.00 H new ATOM 267 N ILE A 18 -17.648 5.131 -4.219 1.00 0.00 N ATOM 268 CA ILE A 18 -16.947 4.095 -4.907 1.00 0.00 C ATOM 269 C ILE A 18 -16.201 3.170 -3.956 1.00 0.00 C ATOM 270 O ILE A 18 -16.803 2.203 -3.471 1.00 0.00 O ATOM 271 CB ILE A 18 -16.154 4.571 -6.182 1.00 0.00 C ATOM 272 CG1 ILE A 18 -15.131 3.535 -6.650 1.00 0.00 C ATOM 273 CG2 ILE A 18 -15.530 5.949 -6.020 1.00 0.00 C ATOM 274 CD1 ILE A 18 -14.370 3.911 -7.909 1.00 0.00 C ATOM 0 H ILE A 18 -17.068 5.939 -3.994 1.00 0.00 H new ATOM 0 HA ILE A 18 -17.708 3.458 -5.357 1.00 0.00 H new ATOM 0 HB ILE A 18 -16.899 4.667 -6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.414 3.365 -5.847 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.646 2.590 -6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.999 6.217 -6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.313 6.682 -5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.831 5.936 -5.184 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.669 3.115 -8.162 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -15.072 4.050 -8.731 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -13.822 4.838 -7.740 1.00 0.00 H new ATOM 286 N GLY A 19 -14.915 3.374 -3.680 1.00 0.00 N ATOM 287 CA GLY A 19 -14.070 2.544 -2.867 1.00 0.00 C ATOM 288 C GLY A 19 -14.520 2.173 -1.471 1.00 0.00 C ATOM 289 O GLY A 19 -13.846 1.352 -0.860 1.00 0.00 O ATOM 0 H GLY A 19 -14.415 4.182 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.898 1.617 -3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.106 3.045 -2.778 1.00 0.00 H new ATOM 293 N SER A 20 -15.610 2.708 -0.940 1.00 0.00 N ATOM 294 CA SER A 20 -16.047 2.267 0.374 1.00 0.00 C ATOM 295 C SER A 20 -16.524 0.814 0.235 1.00 0.00 C ATOM 296 O SER A 20 -16.467 0.006 1.167 1.00 0.00 O ATOM 297 CB SER A 20 -17.177 3.173 0.855 1.00 0.00 C ATOM 298 OG SER A 20 -18.373 2.954 0.105 1.00 0.00 O ATOM 0 H SER A 20 -16.189 3.423 -1.380 1.00 0.00 H new ATOM 0 HA SER A 20 -15.240 2.320 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.369 2.988 1.912 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.874 4.216 0.764 1.00 0.00 H new ATOM 0 HG SER A 20 -18.447 3.632 -0.599 1.00 0.00 H new ATOM 304 N ASP A 21 -16.969 0.504 -0.980 1.00 0.00 N ATOM 305 CA ASP A 21 -17.383 -0.848 -1.292 1.00 0.00 C ATOM 306 C ASP A 21 -16.355 -1.623 -2.086 1.00 0.00 C ATOM 307 O ASP A 21 -16.193 -2.816 -1.871 1.00 0.00 O ATOM 308 CB ASP A 21 -18.668 -0.802 -2.091 1.00 0.00 C ATOM 309 CG ASP A 21 -19.418 -2.107 -2.066 1.00 0.00 C ATOM 310 OD1 ASP A 21 -20.148 -2.353 -1.089 1.00 0.00 O ATOM 311 OD2 ASP A 21 -19.341 -2.891 -3.030 1.00 0.00 O ATOM 0 H ASP A 21 -17.049 1.166 -1.752 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.516 -1.362 -0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.308 -0.013 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.439 -0.540 -3.124 1.00 0.00 H new ATOM 316 N ASN A 22 -15.609 -0.945 -2.947 1.00 0.00 N ATOM 317 CA ASN A 22 -14.716 -1.657 -3.880 1.00 0.00 C ATOM 318 C ASN A 22 -13.342 -1.933 -3.277 1.00 0.00 C ATOM 319 O ASN A 22 -12.772 -3.006 -3.473 1.00 0.00 O ATOM 320 CB ASN A 22 -14.609 -0.882 -5.208 1.00 0.00 C ATOM 321 CG ASN A 22 -13.679 -1.534 -6.234 1.00 0.00 C ATOM 322 OD1 ASN A 22 -14.085 -2.426 -6.972 1.00 0.00 O ATOM 323 ND2 ASN A 22 -12.461 -1.039 -6.351 1.00 0.00 N ATOM 0 H ASN A 22 -15.595 0.072 -3.027 1.00 0.00 H new ATOM 0 HA ASN A 22 -15.158 -2.633 -4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.604 -0.787 -5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -14.254 0.128 -5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.831 -1.398 -7.069 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.149 -0.297 -5.724 1.00 0.00 H new ATOM 330 N VAL A 23 -12.838 -0.983 -2.518 1.00 0.00 N ATOM 331 CA VAL A 23 -11.524 -1.101 -1.893 1.00 0.00 C ATOM 332 C VAL A 23 -11.405 -2.268 -0.885 1.00 0.00 C ATOM 333 O VAL A 23 -10.410 -2.965 -0.936 1.00 0.00 O ATOM 334 CB VAL A 23 -11.055 0.238 -1.289 1.00 0.00 C ATOM 335 CG1 VAL A 23 -9.896 0.082 -0.319 1.00 0.00 C ATOM 336 CG2 VAL A 23 -10.694 1.225 -2.386 1.00 0.00 C ATOM 0 H VAL A 23 -13.320 -0.108 -2.313 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.841 -1.357 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.896 0.626 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.613 1.060 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.196 -0.564 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.046 -0.362 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.366 2.163 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.890 0.813 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -11.567 1.408 -3.012 1.00 0.00 H new ATOM 346 N PRO A 24 -12.386 -2.520 0.036 1.00 0.00 N ATOM 347 CA PRO A 24 -12.302 -3.685 0.940 1.00 0.00 C ATOM 348 C PRO A 24 -12.164 -4.981 0.140 1.00 0.00 C ATOM 349 O PRO A 24 -11.339 -5.842 0.462 1.00 0.00 O ATOM 350 CB PRO A 24 -13.646 -3.666 1.676 1.00 0.00 C ATOM 351 CG PRO A 24 -14.075 -2.247 1.637 1.00 0.00 C ATOM 352 CD PRO A 24 -13.583 -1.699 0.328 1.00 0.00 C ATOM 0 HA PRO A 24 -11.442 -3.638 1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.374 -4.314 1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.541 -4.020 2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.159 -2.166 1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.656 -1.690 2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.335 -1.794 -0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.335 -0.640 0.404 1.00 0.00 H new ATOM 360 N VAL A 25 -13.005 -5.077 -0.894 1.00 0.00 N ATOM 361 CA VAL A 25 -12.960 -6.234 -1.799 1.00 0.00 C ATOM 362 C VAL A 25 -11.532 -6.420 -2.337 1.00 0.00 C ATOM 363 O VAL A 25 -10.966 -7.512 -2.287 1.00 0.00 O ATOM 364 CB VAL A 25 -13.911 -6.051 -3.006 1.00 0.00 C ATOM 365 CG1 VAL A 25 -13.953 -7.300 -3.880 1.00 0.00 C ATOM 366 CG2 VAL A 25 -15.301 -5.676 -2.544 1.00 0.00 C ATOM 0 H VAL A 25 -13.715 -4.382 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.276 -7.107 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.518 -5.235 -3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.631 -7.135 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.953 -7.513 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -14.305 -8.146 -3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.951 -5.553 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.696 -6.464 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.259 -4.741 -1.986 1.00 0.00 H new ATOM 376 N LEU A 26 -10.974 -5.321 -2.803 1.00 0.00 N ATOM 377 CA LEU A 26 -9.643 -5.245 -3.400 1.00 0.00 C ATOM 378 C LEU A 26 -8.542 -5.585 -2.362 1.00 0.00 C ATOM 379 O LEU A 26 -7.838 -6.550 -2.492 1.00 0.00 O ATOM 380 CB LEU A 26 -9.454 -3.790 -3.886 1.00 0.00 C ATOM 381 CG LEU A 26 -9.041 -3.535 -5.338 1.00 0.00 C ATOM 382 CD1 LEU A 26 -7.743 -4.265 -5.685 1.00 0.00 C ATOM 383 CD2 LEU A 26 -10.156 -3.919 -6.302 1.00 0.00 C ATOM 0 H LEU A 26 -11.448 -4.418 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.559 -5.962 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.392 -3.262 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.705 -3.325 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.858 -2.466 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.478 -4.063 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.943 -3.916 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.881 -5.338 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.834 -3.727 -7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.388 -4.978 -6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.045 -3.327 -6.084 1.00 0.00 H new ATOM 395 N LEU A 27 -8.391 -4.672 -1.439 1.00 0.00 N ATOM 396 CA LEU A 27 -7.401 -4.807 -0.352 1.00 0.00 C ATOM 397 C LEU A 27 -7.267 -6.246 0.170 1.00 0.00 C ATOM 398 O LEU A 27 -6.153 -6.771 0.264 1.00 0.00 O ATOM 399 CB LEU A 27 -7.810 -3.903 0.816 1.00 0.00 C ATOM 400 CG LEU A 27 -7.146 -4.187 2.167 1.00 0.00 C ATOM 401 CD1 LEU A 27 -5.655 -3.887 2.142 1.00 0.00 C ATOM 402 CD2 LEU A 27 -7.851 -3.441 3.290 1.00 0.00 C ATOM 0 H LEU A 27 -8.937 -3.811 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.436 -4.517 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.594 -2.871 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.890 -3.979 0.944 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.248 -5.254 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.224 -4.102 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.172 -4.508 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.499 -2.836 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.359 -3.661 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.807 -2.369 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.893 -3.758 3.340 1.00 0.00 H new ATOM 414 N ASP A 28 -8.393 -6.890 0.450 1.00 0.00 N ATOM 415 CA ASP A 28 -8.390 -8.229 1.031 1.00 0.00 C ATOM 416 C ASP A 28 -7.832 -9.273 0.054 1.00 0.00 C ATOM 417 O ASP A 28 -7.065 -10.164 0.447 1.00 0.00 O ATOM 418 CB ASP A 28 -9.801 -8.609 1.478 1.00 0.00 C ATOM 419 CG ASP A 28 -9.854 -9.904 2.248 1.00 0.00 C ATOM 420 OD1 ASP A 28 -9.686 -9.878 3.490 1.00 0.00 O ATOM 421 OD2 ASP A 28 -10.092 -10.964 1.636 1.00 0.00 O ATOM 0 H ASP A 28 -9.323 -6.506 0.284 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.732 -8.216 1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.206 -7.809 2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.443 -8.689 0.601 1.00 0.00 H new ATOM 426 N ILE A 29 -8.175 -9.137 -1.221 1.00 0.00 N ATOM 427 CA ILE A 29 -7.705 -10.076 -2.236 1.00 0.00 C ATOM 428 C ILE A 29 -6.249 -9.774 -2.587 1.00 0.00 C ATOM 429 O ILE A 29 -5.425 -10.677 -2.640 1.00 0.00 O ATOM 430 CB ILE A 29 -8.588 -10.095 -3.535 1.00 0.00 C ATOM 431 CG1 ILE A 29 -8.603 -8.714 -4.206 1.00 0.00 C ATOM 432 CG2 ILE A 29 -10.002 -10.551 -3.207 1.00 0.00 C ATOM 433 CD1 ILE A 29 -9.376 -8.586 -5.495 1.00 0.00 C ATOM 0 H ILE A 29 -8.773 -8.391 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.788 -11.072 -1.801 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.151 -10.805 -4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.011 -7.996 -3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.571 -8.420 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.602 -10.559 -4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.972 -11.555 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.447 -9.866 -2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.305 -7.562 -5.862 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.960 -9.267 -6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.422 -8.836 -5.318 1.00 0.00 H new ATOM 445 N PHE A 30 -5.945 -8.486 -2.774 1.00 0.00 N ATOM 446 CA PHE A 30 -4.634 -7.972 -3.116 1.00 0.00 C ATOM 447 C PHE A 30 -3.615 -8.506 -2.165 1.00 0.00 C ATOM 448 O PHE A 30 -2.666 -9.125 -2.562 1.00 0.00 O ATOM 449 CB PHE A 30 -4.721 -6.424 -3.160 1.00 0.00 C ATOM 450 CG PHE A 30 -3.507 -5.604 -2.855 1.00 0.00 C ATOM 451 CD1 PHE A 30 -2.228 -6.027 -3.166 1.00 0.00 C ATOM 452 CD2 PHE A 30 -3.673 -4.376 -2.250 1.00 0.00 C ATOM 453 CE1 PHE A 30 -1.157 -5.248 -2.870 1.00 0.00 C ATOM 454 CE2 PHE A 30 -2.592 -3.592 -1.953 1.00 0.00 C ATOM 455 CZ PHE A 30 -1.329 -4.038 -2.265 1.00 0.00 C ATOM 0 H PHE A 30 -6.644 -7.748 -2.685 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.309 -8.305 -4.102 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.060 -6.145 -4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.502 -6.122 -2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.080 -6.983 -3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.667 -4.030 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.162 -5.589 -3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.729 -2.632 -1.478 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.470 -3.427 -2.030 1.00 0.00 H new ATOM 465 N LEU A 31 -3.913 -8.392 -0.926 1.00 0.00 N ATOM 466 CA LEU A 31 -3.100 -8.864 0.107 1.00 0.00 C ATOM 467 C LEU A 31 -3.107 -10.367 0.176 1.00 0.00 C ATOM 468 O LEU A 31 -2.088 -10.967 -0.066 1.00 0.00 O ATOM 469 CB LEU A 31 -3.535 -8.178 1.389 1.00 0.00 C ATOM 470 CG LEU A 31 -2.832 -6.875 1.716 1.00 0.00 C ATOM 471 CD1 LEU A 31 -1.382 -7.150 2.080 1.00 0.00 C ATOM 472 CD2 LEU A 31 -2.868 -5.911 0.564 1.00 0.00 C ATOM 0 H LEU A 31 -4.770 -7.946 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.055 -8.614 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.606 -7.985 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.381 -8.869 2.218 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.360 -6.424 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.881 -6.211 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.343 -7.808 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.880 -7.629 1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.353 -4.992 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.373 -6.357 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.904 -5.684 0.312 1.00 0.00 H new ATOM 484 N GLY A 32 -4.247 -10.967 0.455 1.00 0.00 N ATOM 485 CA GLY A 32 -4.359 -12.410 0.614 1.00 0.00 C ATOM 486 C GLY A 32 -3.762 -13.252 -0.519 1.00 0.00 C ATOM 487 O GLY A 32 -3.069 -14.224 -0.250 1.00 0.00 O ATOM 0 H GLY A 32 -5.128 -10.468 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.872 -12.693 1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.414 -12.665 0.714 1.00 0.00 H new ATOM 491 N GLU A 33 -3.995 -12.883 -1.772 1.00 0.00 N ATOM 492 CA GLU A 33 -3.513 -13.687 -2.906 1.00 0.00 C ATOM 493 C GLU A 33 -2.024 -13.433 -3.161 1.00 0.00 C ATOM 494 O GLU A 33 -1.272 -14.336 -3.536 1.00 0.00 O ATOM 495 CB GLU A 33 -4.369 -13.441 -4.154 1.00 0.00 C ATOM 496 CG GLU A 33 -5.861 -13.499 -3.843 1.00 0.00 C ATOM 497 CD GLU A 33 -6.745 -13.605 -5.062 1.00 0.00 C ATOM 498 OE1 GLU A 33 -6.795 -12.667 -5.878 1.00 0.00 O ATOM 499 OE2 GLU A 33 -7.434 -14.643 -5.206 1.00 0.00 O ATOM 0 H GLU A 33 -4.509 -12.042 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.617 -14.742 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.124 -12.466 -4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.127 -14.186 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.052 -14.354 -3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.139 -12.606 -3.283 1.00 0.00 H new ATOM 506 N MET A 34 -1.631 -12.189 -2.956 1.00 0.00 N ATOM 507 CA MET A 34 -0.189 -11.890 -2.978 1.00 0.00 C ATOM 508 C MET A 34 0.517 -12.721 -1.930 1.00 0.00 C ATOM 509 O MET A 34 1.466 -13.454 -2.206 1.00 0.00 O ATOM 510 CB MET A 34 0.076 -10.474 -2.598 1.00 0.00 C ATOM 511 CG MET A 34 -0.043 -9.450 -3.728 1.00 0.00 C ATOM 512 SD MET A 34 0.699 -9.974 -5.304 1.00 0.00 S ATOM 513 CE MET A 34 -0.684 -10.826 -6.083 1.00 0.00 C ATOM 0 H MET A 34 -2.247 -11.395 -2.779 1.00 0.00 H new ATOM 0 HA MET A 34 0.162 -12.098 -3.989 1.00 0.00 H new ATOM 0 HB2 MET A 34 -0.617 -10.194 -1.805 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.081 -10.411 -2.180 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.098 -9.231 -3.893 1.00 0.00 H new ATOM 0 HG3 MET A 34 0.429 -8.521 -3.410 1.00 0.00 H new ATOM 0 HE1 MET A 34 -0.353 -11.798 -6.450 1.00 0.00 H new ATOM 0 HE2 MET A 34 -1.482 -10.966 -5.354 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.055 -10.231 -6.917 1.00 0.00 H new ATOM 523 N ASP A 35 -0.035 -12.641 -0.739 1.00 0.00 N ATOM 524 CA ASP A 35 0.408 -13.295 0.474 1.00 0.00 C ATOM 525 C ASP A 35 0.457 -14.789 0.291 1.00 0.00 C ATOM 526 O ASP A 35 1.326 -15.465 0.843 1.00 0.00 O ATOM 527 CB ASP A 35 -0.615 -12.964 1.554 1.00 0.00 C ATOM 528 CG ASP A 35 -0.362 -13.679 2.872 1.00 0.00 C ATOM 529 OD1 ASP A 35 0.369 -13.151 3.739 1.00 0.00 O ATOM 530 OD2 ASP A 35 -0.915 -14.777 3.084 1.00 0.00 O ATOM 0 H ASP A 35 -0.868 -12.074 -0.581 1.00 0.00 H new ATOM 0 HA ASP A 35 1.408 -12.953 0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.612 -11.888 1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.610 -13.226 1.193 1.00 0.00 H new ATOM 535 N SER A 36 -0.442 -15.270 -0.550 1.00 0.00 N ATOM 536 CA SER A 36 -0.579 -16.686 -0.808 1.00 0.00 C ATOM 537 C SER A 36 0.688 -17.197 -1.348 1.00 0.00 C ATOM 538 O SER A 36 1.305 -18.154 -0.873 1.00 0.00 O ATOM 539 CB SER A 36 -1.562 -16.963 -1.902 1.00 0.00 C ATOM 540 OG SER A 36 -2.859 -16.486 -1.591 1.00 0.00 O ATOM 0 H SER A 36 -1.096 -14.687 -1.072 1.00 0.00 H new ATOM 0 HA SER A 36 -0.886 -17.143 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.217 -16.496 -2.825 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.606 -18.037 -2.085 1.00 0.00 H new ATOM 0 HG SER A 36 -2.810 -15.887 -0.817 1.00 0.00 H new ATOM 546 N TYR A 37 1.072 -16.492 -2.360 1.00 0.00 N ATOM 547 CA TYR A 37 2.194 -16.808 -3.101 1.00 0.00 C ATOM 548 C TYR A 37 3.386 -16.551 -2.335 1.00 0.00 C ATOM 549 O TYR A 37 4.327 -17.205 -2.472 1.00 0.00 O ATOM 550 CB TYR A 37 2.168 -16.099 -4.417 1.00 0.00 C ATOM 551 CG TYR A 37 1.351 -16.916 -5.312 1.00 0.00 C ATOM 552 CD1 TYR A 37 -0.012 -16.767 -5.389 1.00 0.00 C ATOM 553 CD2 TYR A 37 1.961 -17.922 -5.993 1.00 0.00 C ATOM 554 CE1 TYR A 37 -0.759 -17.631 -6.160 1.00 0.00 C ATOM 555 CE2 TYR A 37 1.261 -18.784 -6.770 1.00 0.00 C ATOM 556 CZ TYR A 37 -0.115 -18.650 -6.861 1.00 0.00 C ATOM 557 OH TYR A 37 -0.844 -19.527 -7.640 1.00 0.00 O ATOM 0 H TYR A 37 0.581 -15.659 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 37 2.196 -17.874 -3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.746 -15.099 -4.311 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.176 -15.979 -4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.499 -15.972 -4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.032 -18.037 -5.913 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.832 -17.520 -6.221 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.770 -19.567 -7.312 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.238 -20.173 -8.059 1.00 0.00 H new ATOM 567 N ILE A 38 3.308 -15.667 -1.458 1.00 0.00 N ATOM 568 CA ILE A 38 4.446 -15.333 -0.709 1.00 0.00 C ATOM 569 C ILE A 38 4.787 -16.324 0.356 1.00 0.00 C ATOM 570 O ILE A 38 5.950 -16.515 0.661 1.00 0.00 O ATOM 571 CB ILE A 38 4.505 -13.852 -0.403 1.00 0.00 C ATOM 572 CG1 ILE A 38 5.271 -13.228 -1.562 1.00 0.00 C ATOM 573 CG2 ILE A 38 5.124 -13.524 0.945 1.00 0.00 C ATOM 574 CD1 ILE A 38 4.754 -13.578 -2.978 1.00 0.00 C ATOM 0 H ILE A 38 2.463 -15.145 -1.226 1.00 0.00 H new ATOM 0 HA ILE A 38 5.333 -15.459 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 38 3.498 -13.444 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.249 -12.144 -1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.314 -13.535 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.130 -12.444 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.540 -13.993 1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.147 -13.900 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.373 -13.080 -3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.803 -14.657 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.722 -13.244 -3.081 1.00 0.00 H new ATOM 586 N GLY A 39 3.780 -17.016 0.828 1.00 0.00 N ATOM 587 CA GLY A 39 4.026 -18.154 1.661 1.00 0.00 C ATOM 588 C GLY A 39 4.747 -19.241 0.863 1.00 0.00 C ATOM 589 O GLY A 39 5.817 -19.699 1.246 1.00 0.00 O ATOM 0 H GLY A 39 2.797 -16.811 0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.629 -17.862 2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.084 -18.541 2.049 1.00 0.00 H new ATOM 593 N THR A 40 4.228 -19.534 -0.322 1.00 0.00 N ATOM 594 CA THR A 40 4.696 -20.626 -1.127 1.00 0.00 C ATOM 595 C THR A 40 5.946 -20.245 -1.936 1.00 0.00 C ATOM 596 O THR A 40 6.968 -20.903 -1.838 1.00 0.00 O ATOM 597 CB THR A 40 3.571 -21.091 -2.053 1.00 0.00 C ATOM 598 OG1 THR A 40 2.405 -21.380 -1.260 1.00 0.00 O ATOM 599 CG2 THR A 40 3.983 -22.333 -2.801 1.00 0.00 C ATOM 0 H THR A 40 3.463 -19.008 -0.745 1.00 0.00 H new ATOM 0 HA THR A 40 4.984 -21.443 -0.465 1.00 0.00 H new ATOM 0 HB THR A 40 3.354 -20.303 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.677 -21.677 -1.845 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.171 -22.650 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.869 -22.120 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.208 -23.128 -2.090 1.00 0.00 H new ATOM 607 N LEU A 41 5.877 -19.199 -2.747 1.00 0.00 N ATOM 608 CA LEU A 41 6.971 -18.678 -3.529 1.00 0.00 C ATOM 609 C LEU A 41 8.263 -18.452 -2.737 1.00 0.00 C ATOM 610 O LEU A 41 9.298 -18.609 -3.297 1.00 0.00 O ATOM 611 CB LEU A 41 6.528 -17.379 -4.209 1.00 0.00 C ATOM 612 CG LEU A 41 5.578 -17.486 -5.371 1.00 0.00 C ATOM 613 CD1 LEU A 41 5.361 -16.146 -6.062 1.00 0.00 C ATOM 614 CD2 LEU A 41 5.896 -18.625 -6.329 1.00 0.00 C ATOM 0 H LEU A 41 5.014 -18.672 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 41 7.217 -19.440 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.063 -16.746 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.422 -16.859 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 41 4.616 -17.765 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.668 -16.274 -6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.946 -15.433 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.313 -15.772 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.166 -18.634 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.895 -18.484 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.856 -19.573 -5.793 1.00 0.00 H new ATOM 626 N THR A 42 8.186 -18.033 -1.476 1.00 0.00 N ATOM 627 CA THR A 42 9.383 -17.865 -0.611 1.00 0.00 C ATOM 628 C THR A 42 9.983 -19.212 -0.254 1.00 0.00 C ATOM 629 O THR A 42 11.199 -19.413 -0.324 1.00 0.00 O ATOM 630 CB THR A 42 9.138 -17.032 0.696 1.00 0.00 C ATOM 631 OG1 THR A 42 10.396 -16.642 1.252 1.00 0.00 O ATOM 632 CG2 THR A 42 8.380 -17.794 1.780 1.00 0.00 C ATOM 0 H THR A 42 7.307 -17.799 -1.015 1.00 0.00 H new ATOM 0 HA THR A 42 10.083 -17.284 -1.212 1.00 0.00 H new ATOM 0 HB THR A 42 8.530 -16.179 0.396 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.318 -15.746 1.642 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.249 -17.153 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.403 -18.093 1.399 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.946 -18.682 2.064 1.00 0.00 H new ATOM 640 N GLU A 43 9.114 -20.149 0.054 1.00 0.00 N ATOM 641 CA GLU A 43 9.550 -21.508 0.374 1.00 0.00 C ATOM 642 C GLU A 43 9.863 -22.280 -0.902 1.00 0.00 C ATOM 643 O GLU A 43 10.133 -23.483 -0.884 1.00 0.00 O ATOM 644 CB GLU A 43 8.574 -22.252 1.301 1.00 0.00 C ATOM 645 CG GLU A 43 7.169 -22.387 0.770 1.00 0.00 C ATOM 646 CD GLU A 43 6.237 -23.039 1.752 1.00 0.00 C ATOM 647 OE1 GLU A 43 5.935 -22.444 2.806 1.00 0.00 O ATOM 648 OE2 GLU A 43 5.767 -24.158 1.480 1.00 0.00 O ATOM 0 H GLU A 43 8.105 -20.006 0.092 1.00 0.00 H new ATOM 0 HA GLU A 43 10.473 -21.430 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.970 -23.249 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.536 -21.731 2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.786 -21.399 0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.187 -22.971 -0.150 1.00 0.00 H new ATOM 655 N LEU A 44 9.784 -21.574 -2.012 1.00 0.00 N ATOM 656 CA LEU A 44 10.197 -22.025 -3.288 1.00 0.00 C ATOM 657 C LEU A 44 11.469 -21.285 -3.712 1.00 0.00 C ATOM 658 O LEU A 44 12.410 -21.917 -4.207 1.00 0.00 O ATOM 659 CB LEU A 44 9.046 -21.798 -4.280 1.00 0.00 C ATOM 660 CG LEU A 44 7.965 -22.872 -4.324 1.00 0.00 C ATOM 661 CD1 LEU A 44 6.855 -22.449 -5.264 1.00 0.00 C ATOM 662 CD2 LEU A 44 8.549 -24.206 -4.768 1.00 0.00 C ATOM 0 H LEU A 44 9.409 -20.626 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 44 10.433 -23.089 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.572 -20.846 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.471 -21.700 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 44 7.556 -22.994 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.086 -23.221 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.418 -21.514 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.261 -22.307 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.761 -24.958 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.981 -24.101 -5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.324 -24.515 -4.067 1.00 0.00 H new ATOM 674 N GLN A 45 11.514 -19.956 -3.419 1.00 0.00 N ATOM 675 CA GLN A 45 12.597 -19.058 -3.856 1.00 0.00 C ATOM 676 C GLN A 45 12.267 -17.561 -3.603 1.00 0.00 C ATOM 677 O GLN A 45 11.526 -17.209 -2.689 1.00 0.00 O ATOM 678 CB GLN A 45 12.855 -19.290 -5.334 1.00 0.00 C ATOM 679 CG GLN A 45 11.866 -18.720 -6.339 1.00 0.00 C ATOM 680 CD GLN A 45 12.210 -19.122 -7.764 1.00 0.00 C ATOM 681 OE1 GLN A 45 11.963 -18.373 -8.707 1.00 0.00 O ATOM 682 NE2 GLN A 45 12.769 -20.295 -7.941 1.00 0.00 N ATOM 0 H GLN A 45 10.794 -19.485 -2.871 1.00 0.00 H new ATOM 0 HA GLN A 45 13.486 -19.288 -3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.838 -18.882 -5.567 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.910 -20.366 -5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.862 -19.067 -6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.855 -17.633 -6.261 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.962 -20.894 -7.139 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.011 -20.608 -8.881 1.00 0.00 H new ATOM 691 N GLY A 46 12.846 -16.689 -4.423 1.00 0.00 N ATOM 692 CA GLY A 46 12.620 -15.266 -4.344 1.00 0.00 C ATOM 693 C GLY A 46 11.445 -14.836 -5.202 1.00 0.00 C ATOM 694 O GLY A 46 11.297 -13.666 -5.514 1.00 0.00 O ATOM 0 H GLY A 46 13.490 -16.962 -5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.436 -14.984 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.517 -14.737 -4.664 1.00 0.00 H new ATOM 698 N SER A 47 10.648 -15.808 -5.638 1.00 0.00 N ATOM 699 CA SER A 47 9.456 -15.542 -6.350 1.00 0.00 C ATOM 700 C SER A 47 8.602 -14.687 -5.496 1.00 0.00 C ATOM 701 O SER A 47 7.902 -13.820 -6.015 1.00 0.00 O ATOM 702 CB SER A 47 8.811 -16.837 -6.772 1.00 0.00 C ATOM 703 OG SER A 47 9.466 -17.404 -7.880 1.00 0.00 O ATOM 0 H SER A 47 10.835 -16.800 -5.493 1.00 0.00 H new ATOM 0 HA SER A 47 9.643 -14.999 -7.276 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.827 -17.541 -5.940 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.764 -16.659 -7.019 1.00 0.00 H new ATOM 0 HG SER A 47 9.024 -18.243 -8.127 1.00 0.00 H new ATOM 709 N GLU A 48 8.554 -15.005 -4.202 1.00 0.00 N ATOM 710 CA GLU A 48 8.110 -14.161 -3.139 1.00 0.00 C ATOM 711 C GLU A 48 8.390 -12.704 -3.508 1.00 0.00 C ATOM 712 O GLU A 48 7.504 -12.037 -3.938 1.00 0.00 O ATOM 713 CB GLU A 48 8.949 -14.537 -1.912 1.00 0.00 C ATOM 714 CG GLU A 48 8.710 -13.730 -0.659 1.00 0.00 C ATOM 715 CD GLU A 48 9.946 -13.725 0.220 1.00 0.00 C ATOM 716 OE1 GLU A 48 11.030 -13.380 -0.285 1.00 0.00 O ATOM 717 OE2 GLU A 48 9.871 -14.092 1.412 1.00 0.00 O ATOM 0 H GLU A 48 8.847 -15.923 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 48 7.043 -14.281 -2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.765 -15.587 -1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.002 -14.449 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.443 -12.707 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.867 -14.147 -0.107 1.00 0.00 H new ATOM 724 N GLN A 49 9.664 -12.315 -3.458 1.00 0.00 N ATOM 725 CA GLN A 49 10.173 -10.972 -3.776 1.00 0.00 C ATOM 726 C GLN A 49 9.473 -10.310 -4.983 1.00 0.00 C ATOM 727 O GLN A 49 9.103 -9.134 -4.933 1.00 0.00 O ATOM 728 CB GLN A 49 11.668 -11.116 -4.072 1.00 0.00 C ATOM 729 CG GLN A 49 12.339 -9.904 -4.665 1.00 0.00 C ATOM 730 CD GLN A 49 13.657 -10.251 -5.298 1.00 0.00 C ATOM 731 OE1 GLN A 49 14.713 -10.223 -4.662 1.00 0.00 O ATOM 732 NE2 GLN A 49 13.603 -10.590 -6.567 1.00 0.00 N ATOM 0 H GLN A 49 10.408 -12.955 -3.182 1.00 0.00 H new ATOM 0 HA GLN A 49 9.974 -10.322 -2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.180 -11.374 -3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.805 -11.954 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.684 -9.455 -5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.495 -9.157 -3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.707 -10.600 -7.055 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.457 -10.843 -7.064 1.00 0.00 H new ATOM 741 N LEU A 50 9.332 -11.064 -6.074 1.00 0.00 N ATOM 742 CA LEU A 50 8.775 -10.663 -7.332 1.00 0.00 C ATOM 743 C LEU A 50 7.423 -10.059 -7.116 1.00 0.00 C ATOM 744 O LEU A 50 7.030 -9.153 -7.850 1.00 0.00 O ATOM 745 CB LEU A 50 8.712 -11.918 -8.199 1.00 0.00 C ATOM 746 CG LEU A 50 8.418 -11.793 -9.702 1.00 0.00 C ATOM 747 CD1 LEU A 50 8.766 -13.101 -10.386 1.00 0.00 C ATOM 748 CD2 LEU A 50 6.954 -11.508 -9.942 1.00 0.00 C ATOM 0 H LEU A 50 9.631 -12.039 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 50 9.380 -9.903 -7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.667 -12.433 -8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.951 -12.571 -7.772 1.00 0.00 H new ATOM 0 HG LEU A 50 9.014 -10.973 -10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.560 -13.020 -11.453 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.823 -13.320 -10.236 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.165 -13.905 -9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.771 -11.424 -11.013 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.353 -12.321 -9.534 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.680 -10.573 -9.452 1.00 0.00 H new ATOM 760 N LEU A 51 6.746 -10.518 -6.064 1.00 0.00 N ATOM 761 CA LEU A 51 5.431 -9.989 -5.722 1.00 0.00 C ATOM 762 C LEU A 51 5.402 -8.490 -5.494 1.00 0.00 C ATOM 763 O LEU A 51 4.360 -7.946 -5.418 1.00 0.00 O ATOM 764 CB LEU A 51 4.717 -10.621 -4.534 1.00 0.00 C ATOM 765 CG LEU A 51 4.794 -9.843 -3.202 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.736 -10.328 -2.243 1.00 0.00 C ATOM 767 CD2 LEU A 51 6.175 -9.936 -2.597 1.00 0.00 C ATOM 0 H LEU A 51 7.085 -11.250 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 51 4.892 -10.264 -6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.667 -10.751 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.132 -11.616 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 51 4.601 -8.790 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.806 -9.768 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.750 -10.178 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.886 -11.389 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.200 -9.379 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.418 -10.981 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.904 -9.515 -3.289 1.00 0.00 H new ATOM 779 N TYR A 52 6.501 -7.809 -5.519 1.00 0.00 N ATOM 780 CA TYR A 52 6.540 -6.408 -5.210 1.00 0.00 C ATOM 781 C TYR A 52 6.265 -5.654 -6.464 1.00 0.00 C ATOM 782 O TYR A 52 5.390 -4.823 -6.519 1.00 0.00 O ATOM 783 CB TYR A 52 7.938 -6.107 -4.776 1.00 0.00 C ATOM 784 CG TYR A 52 8.151 -4.735 -4.173 1.00 0.00 C ATOM 785 CD1 TYR A 52 7.528 -4.376 -2.986 1.00 0.00 C ATOM 786 CD2 TYR A 52 8.996 -3.812 -4.772 1.00 0.00 C ATOM 787 CE1 TYR A 52 7.733 -3.137 -2.412 1.00 0.00 C ATOM 788 CE2 TYR A 52 9.206 -2.565 -4.208 1.00 0.00 C ATOM 789 CZ TYR A 52 8.570 -2.234 -3.028 1.00 0.00 C ATOM 790 OH TYR A 52 8.779 -0.997 -2.458 1.00 0.00 O ATOM 0 H TYR A 52 7.409 -8.209 -5.756 1.00 0.00 H new ATOM 0 HA TYR A 52 5.815 -6.139 -4.442 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.243 -6.857 -4.046 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.598 -6.213 -5.637 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.869 -5.081 -2.501 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.498 -4.070 -5.693 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.240 -2.878 -1.486 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.863 -1.855 -4.688 1.00 0.00 H new ATOM 0 HH TYR A 52 9.396 -0.480 -3.016 1.00 0.00 H new ATOM 800 N LEU A 53 6.993 -6.076 -7.477 1.00 0.00 N ATOM 801 CA LEU A 53 6.815 -5.386 -8.752 1.00 0.00 C ATOM 802 C LEU A 53 5.391 -5.544 -9.232 1.00 0.00 C ATOM 803 O LEU A 53 4.792 -4.620 -9.763 1.00 0.00 O ATOM 804 CB LEU A 53 7.911 -5.736 -9.787 1.00 0.00 C ATOM 805 CG LEU A 53 8.137 -7.219 -10.137 1.00 0.00 C ATOM 806 CD1 LEU A 53 7.061 -7.767 -11.065 1.00 0.00 C ATOM 807 CD2 LEU A 53 9.522 -7.422 -10.730 1.00 0.00 C ATOM 0 H LEU A 53 7.670 -6.838 -7.460 1.00 0.00 H new ATOM 0 HA LEU A 53 6.965 -4.317 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.676 -5.208 -10.711 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.855 -5.333 -9.421 1.00 0.00 H new ATOM 0 HG LEU A 53 8.067 -7.784 -9.207 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.266 -8.815 -11.281 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.087 -7.680 -10.584 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.059 -7.199 -11.995 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.664 -8.476 -10.971 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.620 -6.826 -11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.276 -7.110 -10.008 1.00 0.00 H new ATOM 819 N LYS A 54 4.846 -6.689 -8.955 1.00 0.00 N ATOM 820 CA LYS A 54 3.466 -6.940 -9.257 1.00 0.00 C ATOM 821 C LYS A 54 2.494 -6.362 -8.271 1.00 0.00 C ATOM 822 O LYS A 54 1.624 -5.683 -8.666 1.00 0.00 O ATOM 823 CB LYS A 54 3.173 -8.395 -9.467 1.00 0.00 C ATOM 824 CG LYS A 54 4.188 -9.259 -8.779 1.00 0.00 C ATOM 825 CD LYS A 54 3.857 -10.693 -8.870 1.00 0.00 C ATOM 826 CE LYS A 54 2.739 -11.064 -7.947 1.00 0.00 C ATOM 827 NZ LYS A 54 2.181 -12.398 -8.273 1.00 0.00 N ATOM 0 H LYS A 54 5.337 -7.469 -8.518 1.00 0.00 H new ATOM 0 HA LYS A 54 3.313 -6.410 -10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.178 -8.626 -9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.167 -8.617 -10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.169 -9.086 -9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.256 -8.970 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.579 -10.938 -9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.739 -11.286 -8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.100 -11.062 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.951 -10.314 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.409 -12.622 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.814 -12.393 -9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.928 -13.117 -8.188 1.00 0.00 H new ATOM 841 N GLU A 55 2.747 -6.568 -7.013 1.00 0.00 N ATOM 842 CA GLU A 55 1.667 -6.170 -6.081 1.00 0.00 C ATOM 843 C GLU A 55 1.464 -4.676 -6.125 1.00 0.00 C ATOM 844 O GLU A 55 0.337 -4.184 -6.229 1.00 0.00 O ATOM 845 CB GLU A 55 1.866 -6.686 -4.644 1.00 0.00 C ATOM 846 CG GLU A 55 2.811 -5.897 -3.741 1.00 0.00 C ATOM 847 CD GLU A 55 2.058 -4.976 -2.798 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.761 -3.832 -3.188 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.740 -5.408 -1.671 1.00 0.00 O ATOM 0 H GLU A 55 3.595 -6.967 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 55 0.755 -6.657 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.890 -6.723 -4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.232 -7.711 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.421 -6.590 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.493 -5.309 -4.355 1.00 0.00 H new ATOM 856 N ILE A 56 2.570 -3.985 -6.177 1.00 0.00 N ATOM 857 CA ILE A 56 2.507 -2.545 -6.135 1.00 0.00 C ATOM 858 C ILE A 56 2.102 -1.950 -7.488 1.00 0.00 C ATOM 859 O ILE A 56 1.640 -0.827 -7.533 1.00 0.00 O ATOM 860 CB ILE A 56 3.801 -1.846 -5.635 1.00 0.00 C ATOM 861 CG1 ILE A 56 4.922 -1.988 -6.673 1.00 0.00 C ATOM 862 CG2 ILE A 56 4.249 -2.382 -4.275 1.00 0.00 C ATOM 863 CD1 ILE A 56 6.268 -1.499 -6.206 1.00 0.00 C ATOM 0 H ILE A 56 3.507 -4.382 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 56 1.736 -2.343 -5.392 1.00 0.00 H new ATOM 0 HB ILE A 56 3.575 -0.788 -5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.008 -3.037 -6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.641 -1.438 -7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.157 -1.867 -3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.463 -2.211 -3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.447 -3.451 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.001 -1.637 -7.001 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.203 -0.441 -5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.576 -2.065 -5.327 1.00 0.00 H new ATOM 875 N SER A 57 2.299 -2.677 -8.589 1.00 0.00 N ATOM 876 CA SER A 57 1.877 -2.155 -9.902 1.00 0.00 C ATOM 877 C SER A 57 0.479 -2.661 -10.237 1.00 0.00 C ATOM 878 O SER A 57 -0.317 -2.003 -10.908 1.00 0.00 O ATOM 879 CB SER A 57 2.853 -2.573 -10.999 1.00 0.00 C ATOM 880 OG SER A 57 4.183 -2.170 -10.685 1.00 0.00 O ATOM 0 H SER A 57 2.733 -3.600 -8.607 1.00 0.00 H new ATOM 0 HA SER A 57 1.868 -1.066 -9.848 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.819 -3.655 -11.127 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.550 -2.130 -11.948 1.00 0.00 H new ATOM 0 HG SER A 57 4.686 -2.939 -10.345 1.00 0.00 H new ATOM 886 N HIS A 58 0.235 -3.858 -9.805 1.00 0.00 N ATOM 887 CA HIS A 58 -1.032 -4.493 -9.945 1.00 0.00 C ATOM 888 C HIS A 58 -2.057 -3.930 -8.974 1.00 0.00 C ATOM 889 O HIS A 58 -2.874 -3.083 -9.357 1.00 0.00 O ATOM 890 CB HIS A 58 -0.873 -6.043 -9.953 1.00 0.00 C ATOM 891 CG HIS A 58 -1.992 -6.877 -9.428 1.00 0.00 C ATOM 892 ND1 HIS A 58 -1.884 -7.444 -8.189 1.00 0.00 N ATOM 893 CD2 HIS A 58 -3.161 -7.250 -9.990 1.00 0.00 C ATOM 894 CE1 HIS A 58 -2.971 -8.146 -8.011 1.00 0.00 C ATOM 895 NE2 HIS A 58 -3.780 -8.062 -9.074 1.00 0.00 N ATOM 0 H HIS A 58 0.932 -4.434 -9.333 1.00 0.00 H new ATOM 0 HA HIS A 58 -1.455 -4.255 -10.921 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -0.684 -6.351 -10.981 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.020 -6.287 -9.378 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.533 -6.967 -10.963 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -3.189 -8.719 -7.122 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -4.687 -8.517 -9.183 1.00 0.00 H new ATOM 903 N ALA A 59 -2.007 -4.270 -7.721 1.00 0.00 N ATOM 904 CA ALA A 59 -3.089 -3.976 -6.829 1.00 0.00 C ATOM 905 C ALA A 59 -2.873 -2.779 -5.941 1.00 0.00 C ATOM 906 O ALA A 59 -3.841 -2.071 -5.658 1.00 0.00 O ATOM 907 CB ALA A 59 -3.508 -5.193 -6.087 1.00 0.00 C ATOM 0 H ALA A 59 -1.221 -4.756 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.922 -3.666 -7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.331 -4.945 -5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.834 -5.956 -6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.667 -5.572 -5.506 1.00 0.00 H new ATOM 913 N LEU A 60 -1.645 -2.461 -5.537 1.00 0.00 N ATOM 914 CA LEU A 60 -1.424 -1.255 -4.768 1.00 0.00 C ATOM 915 C LEU A 60 -1.564 -0.089 -5.693 1.00 0.00 C ATOM 916 O LEU A 60 -2.187 0.875 -5.366 1.00 0.00 O ATOM 917 CB LEU A 60 -0.061 -1.275 -4.093 1.00 0.00 C ATOM 918 CG LEU A 60 0.133 -0.354 -2.885 1.00 0.00 C ATOM 919 CD1 LEU A 60 -0.890 -0.670 -1.789 1.00 0.00 C ATOM 920 CD2 LEU A 60 1.545 -0.530 -2.349 1.00 0.00 C ATOM 0 H LEU A 60 -0.809 -3.013 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.160 -1.180 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.144 -2.297 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.690 -1.016 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.017 0.679 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.733 -0.003 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.898 -0.528 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.769 -1.704 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.691 0.123 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.693 -1.567 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.264 -0.272 -3.126 1.00 0.00 H new ATOM 932 N LYS A 61 -1.071 -0.239 -6.897 1.00 0.00 N ATOM 933 CA LYS A 61 -1.252 0.794 -7.907 1.00 0.00 C ATOM 934 C LYS A 61 -2.730 0.940 -8.245 1.00 0.00 C ATOM 935 O LYS A 61 -3.181 2.032 -8.573 1.00 0.00 O ATOM 936 CB LYS A 61 -0.435 0.478 -9.149 1.00 0.00 C ATOM 937 CG LYS A 61 -0.588 1.406 -10.375 1.00 0.00 C ATOM 938 CD LYS A 61 0.198 2.727 -10.308 1.00 0.00 C ATOM 939 CE LYS A 61 -0.319 3.716 -9.276 1.00 0.00 C ATOM 940 NZ LYS A 61 0.370 5.028 -9.392 1.00 0.00 N ATOM 0 H LYS A 61 -0.545 -1.056 -7.208 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.895 1.744 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.617 0.473 -8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.685 -0.535 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.272 0.860 -11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.645 1.639 -10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.242 2.503 -10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.174 3.200 -11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.392 3.854 -9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.169 3.312 -8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.561 5.405 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.268 4.905 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.236 5.693 -9.913 1.00 0.00 H new ATOM 954 N SER A 62 -3.507 -0.114 -8.022 1.00 0.00 N ATOM 955 CA SER A 62 -4.908 -0.074 -8.304 1.00 0.00 C ATOM 956 C SER A 62 -5.661 0.671 -7.209 1.00 0.00 C ATOM 957 O SER A 62 -6.339 1.689 -7.437 1.00 0.00 O ATOM 958 CB SER A 62 -5.458 -1.491 -8.448 1.00 0.00 C ATOM 959 OG SER A 62 -6.859 -1.492 -8.641 1.00 0.00 O ATOM 0 H SER A 62 -3.174 -1.002 -7.645 1.00 0.00 H new ATOM 0 HA SER A 62 -5.051 0.460 -9.243 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.974 -1.985 -9.291 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.213 -2.069 -7.557 1.00 0.00 H new ATOM 0 HG SER A 62 -7.176 -2.415 -8.731 1.00 0.00 H new ATOM 965 N SER A 63 -5.473 0.199 -6.004 1.00 0.00 N ATOM 966 CA SER A 63 -6.175 0.628 -4.870 1.00 0.00 C ATOM 967 C SER A 63 -5.621 1.937 -4.378 1.00 0.00 C ATOM 968 O SER A 63 -6.354 2.737 -3.861 1.00 0.00 O ATOM 969 CB SER A 63 -6.037 -0.475 -3.840 1.00 0.00 C ATOM 970 OG SER A 63 -6.636 -1.656 -4.313 1.00 0.00 O ATOM 0 H SER A 63 -4.789 -0.529 -5.800 1.00 0.00 H new ATOM 0 HA SER A 63 -7.228 0.808 -5.086 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.983 -0.653 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.505 -0.170 -2.904 1.00 0.00 H new ATOM 0 HG SER A 63 -6.683 -2.312 -3.587 1.00 0.00 H new ATOM 976 N ALA A 64 -4.330 2.158 -4.543 1.00 0.00 N ATOM 977 CA ALA A 64 -3.758 3.435 -4.105 1.00 0.00 C ATOM 978 C ALA A 64 -4.267 4.541 -4.993 1.00 0.00 C ATOM 979 O ALA A 64 -4.545 5.609 -4.536 1.00 0.00 O ATOM 980 CB ALA A 64 -2.239 3.451 -4.053 1.00 0.00 C ATOM 0 H ALA A 64 -3.671 1.501 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.085 3.587 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.897 4.431 -3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.891 2.689 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.839 3.245 -5.046 1.00 0.00 H new ATOM 986 N ALA A 65 -4.483 4.247 -6.258 1.00 0.00 N ATOM 987 CA ALA A 65 -5.035 5.214 -7.204 1.00 0.00 C ATOM 988 C ALA A 65 -6.402 5.657 -6.682 1.00 0.00 C ATOM 989 O ALA A 65 -6.851 6.784 -6.895 1.00 0.00 O ATOM 990 CB ALA A 65 -5.164 4.580 -8.584 1.00 0.00 C ATOM 0 H ALA A 65 -4.284 3.334 -6.666 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.376 6.078 -7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.576 5.309 -9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.181 4.261 -8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.827 3.717 -8.527 1.00 0.00 H new ATOM 996 N SER A 66 -7.032 4.749 -5.958 1.00 0.00 N ATOM 997 CA SER A 66 -8.242 5.029 -5.265 1.00 0.00 C ATOM 998 C SER A 66 -7.941 5.677 -3.882 1.00 0.00 C ATOM 999 O SER A 66 -8.334 6.812 -3.644 1.00 0.00 O ATOM 1000 CB SER A 66 -9.076 3.737 -5.122 1.00 0.00 C ATOM 1001 OG SER A 66 -10.399 3.973 -4.644 1.00 0.00 O ATOM 0 H SER A 66 -6.701 3.791 -5.844 1.00 0.00 H new ATOM 0 HA SER A 66 -8.828 5.747 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.130 3.238 -6.089 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.566 3.057 -4.440 1.00 0.00 H new ATOM 0 HG SER A 66 -10.879 3.121 -4.575 1.00 0.00 H new ATOM 1007 N PHE A 67 -7.177 5.026 -2.990 1.00 0.00 N ATOM 1008 CA PHE A 67 -7.093 5.516 -1.569 1.00 0.00 C ATOM 1009 C PHE A 67 -5.786 6.213 -1.152 1.00 0.00 C ATOM 1010 O PHE A 67 -5.602 6.578 0.006 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.395 4.396 -0.576 1.00 0.00 C ATOM 1012 CG PHE A 67 -6.509 3.171 -0.646 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -5.126 3.261 -0.583 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -7.076 1.923 -0.752 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -4.339 2.136 -0.636 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -6.298 0.790 -0.801 1.00 0.00 C ATOM 1017 CZ PHE A 67 -4.928 0.896 -0.748 1.00 0.00 C ATOM 0 H PHE A 67 -6.624 4.194 -3.195 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.857 6.293 -1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.329 4.807 0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.427 4.079 -0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.660 4.231 -0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.151 1.831 -0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.264 2.224 -0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.762 -0.182 -0.881 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.315 0.008 -0.794 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.954 6.456 -2.086 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.636 6.983 -1.788 1.00 0.00 C ATOM 1029 C GLY A 68 -2.996 7.496 -3.034 1.00 0.00 C ATOM 1030 O GLY A 68 -1.820 7.312 -3.271 1.00 0.00 O ATOM 0 H GLY A 68 -5.141 6.305 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.714 7.784 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.016 6.204 -1.345 1.00 0.00 H new ATOM 1034 N ALA A 69 -3.822 8.188 -3.784 1.00 0.00 N ATOM 1035 CA ALA A 69 -3.418 8.752 -5.086 1.00 0.00 C ATOM 1036 C ALA A 69 -2.549 9.999 -4.871 1.00 0.00 C ATOM 1037 O ALA A 69 -2.474 10.905 -5.709 1.00 0.00 O ATOM 1038 CB ALA A 69 -4.659 9.120 -5.882 1.00 0.00 C ATOM 0 H ALA A 69 -4.789 8.384 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.839 8.010 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.363 9.537 -6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.265 8.229 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.240 9.859 -5.330 1.00 0.00 H new ATOM 1044 N ASP A 70 -1.866 10.003 -3.752 1.00 0.00 N ATOM 1045 CA ASP A 70 -1.141 11.099 -3.250 1.00 0.00 C ATOM 1046 C ASP A 70 0.218 10.495 -2.882 1.00 0.00 C ATOM 1047 O ASP A 70 0.653 9.513 -3.523 1.00 0.00 O ATOM 1048 CB ASP A 70 -1.923 11.663 -2.054 1.00 0.00 C ATOM 1049 CG ASP A 70 -1.329 12.914 -1.484 1.00 0.00 C ATOM 1050 OD1 ASP A 70 -1.523 13.992 -2.059 1.00 0.00 O ATOM 1051 OD2 ASP A 70 -0.627 12.819 -0.469 1.00 0.00 O ATOM 0 H ASP A 70 -1.811 9.184 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.999 11.934 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.948 11.866 -2.364 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.971 10.905 -1.272 1.00 0.00 H new ATOM 1056 N ARG A 71 0.891 10.969 -1.875 1.00 0.00 N ATOM 1057 CA ARG A 71 2.241 10.682 -1.481 1.00 0.00 C ATOM 1058 C ARG A 71 2.586 9.212 -1.312 1.00 0.00 C ATOM 1059 O ARG A 71 3.535 8.777 -1.898 1.00 0.00 O ATOM 1060 CB ARG A 71 2.428 11.403 -0.182 1.00 0.00 C ATOM 1061 CG ARG A 71 2.481 12.911 -0.339 1.00 0.00 C ATOM 1062 CD ARG A 71 2.017 13.618 0.921 1.00 0.00 C ATOM 1063 NE ARG A 71 2.049 15.083 0.795 1.00 0.00 N ATOM 1064 CZ ARG A 71 0.970 15.864 0.632 1.00 0.00 C ATOM 1065 NH1 ARG A 71 -0.199 15.347 0.271 1.00 0.00 N ATOM 1066 NH2 ARG A 71 1.088 17.179 0.749 1.00 0.00 N ATOM 0 H ARG A 71 0.460 11.640 -1.239 1.00 0.00 H new ATOM 0 HA ARG A 71 2.908 11.006 -2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.612 11.143 0.492 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.350 11.060 0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.500 13.218 -0.575 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.855 13.213 -1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.002 13.300 1.158 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.649 13.315 1.756 1.00 0.00 H new ATOM 0 HE ARG A 71 2.960 15.540 0.834 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.286 14.343 0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.010 15.954 0.151 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.996 17.593 0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.271 17.777 0.626 1.00 0.00 H new ATOM 1080 N LEU A 72 1.845 8.438 -0.523 1.00 0.00 N ATOM 1081 CA LEU A 72 2.195 7.012 -0.295 1.00 0.00 C ATOM 1082 C LEU A 72 2.436 6.291 -1.630 1.00 0.00 C ATOM 1083 O LEU A 72 3.335 5.479 -1.779 1.00 0.00 O ATOM 1084 CB LEU A 72 1.099 6.306 0.541 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.292 6.116 -0.094 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -0.368 4.842 -0.928 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -1.363 6.122 0.962 1.00 0.00 C ATOM 0 H LEU A 72 1.009 8.754 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 72 3.123 6.971 0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.475 5.322 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.969 6.871 1.464 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.459 6.957 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.365 4.747 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.369 4.887 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.162 3.979 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.337 5.987 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.184 5.310 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.345 7.074 1.493 1.00 0.00 H new ATOM 1099 N CYS A 73 1.651 6.775 -2.544 1.00 0.00 N ATOM 1100 CA CYS A 73 1.743 6.102 -3.824 1.00 0.00 C ATOM 1101 C CYS A 73 3.143 6.261 -4.437 1.00 0.00 C ATOM 1102 O CYS A 73 3.854 5.279 -4.637 1.00 0.00 O ATOM 1103 CB CYS A 73 0.619 6.432 -4.809 1.00 0.00 C ATOM 1104 SG CYS A 73 0.812 5.662 -6.434 1.00 0.00 S ATOM 0 H CYS A 73 0.998 7.554 -2.459 1.00 0.00 H new ATOM 0 HA CYS A 73 1.590 5.044 -3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.331 6.115 -4.379 1.00 0.00 H new ATOM 0 HB3 CYS A 73 0.567 7.513 -4.935 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.293 5.062 -6.764 1.00 0.00 H new ATOM 1110 N GLU A 74 3.642 7.464 -4.533 1.00 0.00 N ATOM 1111 CA GLU A 74 4.897 7.571 -5.303 1.00 0.00 C ATOM 1112 C GLU A 74 6.062 8.140 -4.498 1.00 0.00 C ATOM 1113 O GLU A 74 7.252 7.851 -4.747 1.00 0.00 O ATOM 1114 CB GLU A 74 4.636 8.276 -6.619 1.00 0.00 C ATOM 1115 CG GLU A 74 5.821 8.373 -7.535 1.00 0.00 C ATOM 1116 CD GLU A 74 5.388 8.620 -8.951 1.00 0.00 C ATOM 1117 OE1 GLU A 74 5.247 9.785 -9.359 1.00 0.00 O ATOM 1118 OE2 GLU A 74 5.139 7.639 -9.684 1.00 0.00 O ATOM 0 H GLU A 74 3.260 8.323 -4.137 1.00 0.00 H new ATOM 0 HA GLU A 74 5.238 6.563 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.835 7.753 -7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.275 9.283 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.475 9.180 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.401 7.452 -7.484 1.00 0.00 H new ATOM 1125 N ARG A 75 5.685 8.763 -3.435 1.00 0.00 N ATOM 1126 CA ARG A 75 6.568 9.425 -2.526 1.00 0.00 C ATOM 1127 C ARG A 75 6.950 8.362 -1.513 1.00 0.00 C ATOM 1128 O ARG A 75 8.086 8.241 -1.105 1.00 0.00 O ATOM 1129 CB ARG A 75 5.765 10.597 -1.914 1.00 0.00 C ATOM 1130 CG ARG A 75 6.219 11.252 -0.610 1.00 0.00 C ATOM 1131 CD ARG A 75 6.016 10.355 0.618 1.00 0.00 C ATOM 1132 NE ARG A 75 6.271 11.065 1.875 1.00 0.00 N ATOM 1133 CZ ARG A 75 6.923 10.581 2.937 1.00 0.00 C ATOM 1134 NH1 ARG A 75 7.542 9.402 2.884 1.00 0.00 N ATOM 1135 NH2 ARG A 75 6.972 11.295 4.057 1.00 0.00 N ATOM 0 H ARG A 75 4.705 8.830 -3.159 1.00 0.00 H new ATOM 0 HA ARG A 75 7.475 9.841 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.717 11.382 -2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.746 10.242 -1.758 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.274 11.514 -0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.669 12.182 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.996 9.972 0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.680 9.493 0.549 1.00 0.00 H new ATOM 0 HE ARG A 75 5.917 12.019 1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.523 8.854 2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.035 9.047 3.704 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.514 12.205 4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.467 10.933 4.872 1.00 0.00 H new ATOM 1149 N ALA A 76 6.011 7.482 -1.231 1.00 0.00 N ATOM 1150 CA ALA A 76 6.341 6.495 -0.262 1.00 0.00 C ATOM 1151 C ALA A 76 7.041 5.392 -0.939 1.00 0.00 C ATOM 1152 O ALA A 76 7.995 4.920 -0.400 1.00 0.00 O ATOM 1153 CB ALA A 76 5.169 6.011 0.549 1.00 0.00 C ATOM 0 H ALA A 76 5.076 7.438 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 76 6.996 6.957 0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.506 5.261 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.726 6.850 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.424 5.571 -0.114 1.00 0.00 H new ATOM 1159 N ILE A 77 6.468 4.923 -2.049 1.00 0.00 N ATOM 1160 CA ILE A 77 7.249 3.930 -2.815 1.00 0.00 C ATOM 1161 C ILE A 77 8.795 4.161 -2.783 1.00 0.00 C ATOM 1162 O ILE A 77 9.539 3.264 -2.346 1.00 0.00 O ATOM 1163 CB ILE A 77 6.651 3.630 -4.215 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.574 2.537 -4.062 1.00 0.00 C ATOM 1165 CG2 ILE A 77 7.711 3.194 -5.226 1.00 0.00 C ATOM 1166 CD1 ILE A 77 4.578 2.794 -2.946 1.00 0.00 C ATOM 0 H ILE A 77 5.553 5.179 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 77 7.137 2.992 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 77 6.214 4.549 -4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.032 2.443 -5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.066 1.581 -3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.237 2.997 -6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.451 3.986 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.202 2.288 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.856 1.978 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.106 2.857 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.056 3.732 -3.133 1.00 0.00 H new ATOM 1178 N ALA A 78 9.266 5.385 -3.106 1.00 0.00 N ATOM 1179 CA ALA A 78 10.728 5.590 -2.934 1.00 0.00 C ATOM 1180 C ALA A 78 11.294 5.729 -1.500 1.00 0.00 C ATOM 1181 O ALA A 78 12.485 5.537 -1.308 1.00 0.00 O ATOM 1182 CB ALA A 78 11.217 6.734 -3.814 1.00 0.00 C ATOM 0 H ALA A 78 8.724 6.176 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 78 11.134 4.630 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.290 6.868 -3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.014 6.501 -4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.698 7.652 -3.539 1.00 0.00 H new ATOM 1188 N ILE A 79 10.487 6.022 -0.507 1.00 0.00 N ATOM 1189 CA ILE A 79 11.006 6.297 0.860 1.00 0.00 C ATOM 1190 C ILE A 79 10.744 5.096 1.804 1.00 0.00 C ATOM 1191 O ILE A 79 11.543 4.730 2.684 1.00 0.00 O ATOM 1192 CB ILE A 79 10.218 7.500 1.402 1.00 0.00 C ATOM 1193 CG1 ILE A 79 10.361 8.699 0.479 1.00 0.00 C ATOM 1194 CG2 ILE A 79 10.622 7.851 2.802 1.00 0.00 C ATOM 1195 CD1 ILE A 79 11.784 9.158 0.241 1.00 0.00 C ATOM 0 H ILE A 79 9.472 6.082 -0.594 1.00 0.00 H new ATOM 0 HA ILE A 79 12.079 6.481 0.815 1.00 0.00 H new ATOM 0 HB ILE A 79 9.167 7.212 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.909 8.454 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.792 9.530 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.040 8.706 3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.438 7.000 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.683 8.102 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 79 11.782 10.017 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.239 9.440 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.357 8.348 -0.210 1.00 0.00 H new ATOM 1207 N ASP A 80 9.463 4.894 1.716 1.00 0.00 N ATOM 1208 CA ASP A 80 9.009 3.702 2.445 1.00 0.00 C ATOM 1209 C ASP A 80 10.009 2.530 2.268 1.00 0.00 C ATOM 1210 O ASP A 80 10.536 2.022 3.260 1.00 0.00 O ATOM 1211 CB ASP A 80 7.564 3.293 2.180 1.00 0.00 C ATOM 1212 CG ASP A 80 6.607 3.933 3.177 1.00 0.00 C ATOM 1213 OD1 ASP A 80 6.437 5.168 3.165 1.00 0.00 O ATOM 1214 OD2 ASP A 80 5.978 3.212 3.996 1.00 0.00 O ATOM 0 H ASP A 80 8.769 5.450 1.217 1.00 0.00 H new ATOM 0 HA ASP A 80 9.001 3.987 3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.283 3.583 1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.476 2.208 2.236 1.00 0.00 H new ATOM 1219 N LYS A 81 10.410 2.205 1.031 1.00 0.00 N ATOM 1220 CA LYS A 81 11.451 1.172 0.885 1.00 0.00 C ATOM 1221 C LYS A 81 12.799 1.671 1.413 1.00 0.00 C ATOM 1222 O LYS A 81 13.471 0.989 2.172 1.00 0.00 O ATOM 1223 CB LYS A 81 11.583 0.665 -0.550 1.00 0.00 C ATOM 1224 CG LYS A 81 12.085 1.707 -1.543 1.00 0.00 C ATOM 1225 CD LYS A 81 12.182 1.115 -2.933 1.00 0.00 C ATOM 1226 CE LYS A 81 12.635 2.144 -3.949 1.00 0.00 C ATOM 1227 NZ LYS A 81 12.804 1.539 -5.282 1.00 0.00 N ATOM 0 H LYS A 81 10.057 2.611 0.164 1.00 0.00 H new ATOM 0 HA LYS A 81 11.133 0.323 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.264 -0.186 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.612 0.301 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.410 2.563 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.062 2.075 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.881 0.279 -2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.211 0.716 -3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.905 2.951 -4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.577 2.587 -3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.115 2.267 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.519 0.785 -5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.898 1.138 -5.598 1.00 0.00 H new ATOM 1241 N LYS A 82 13.139 2.869 1.005 1.00 0.00 N ATOM 1242 CA LYS A 82 14.375 3.507 1.422 1.00 0.00 C ATOM 1243 C LYS A 82 14.877 3.270 2.854 1.00 0.00 C ATOM 1244 O LYS A 82 15.932 2.633 3.046 1.00 0.00 O ATOM 1245 CB LYS A 82 14.442 4.945 0.932 1.00 0.00 C ATOM 1246 CG LYS A 82 15.120 5.870 1.868 1.00 0.00 C ATOM 1247 CD LYS A 82 14.119 6.817 2.479 1.00 0.00 C ATOM 1248 CE LYS A 82 14.765 7.577 3.586 1.00 0.00 C ATOM 1249 NZ LYS A 82 13.874 8.593 4.197 1.00 0.00 N ATOM 0 H LYS A 82 12.570 3.434 0.374 1.00 0.00 H new ATOM 0 HA LYS A 82 15.148 2.941 0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.962 4.968 -0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 82 13.429 5.304 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.621 5.303 2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.890 6.433 1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.744 7.505 1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.261 6.261 2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.090 6.878 4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.660 8.070 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.381 9.086 4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.584 9.281 3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.031 8.126 4.588 1.00 0.00 H new ATOM 1263 N ALA A 83 14.108 3.499 3.872 1.00 0.00 N ATOM 1264 CA ALA A 83 14.617 3.438 5.204 1.00 0.00 C ATOM 1265 C ALA A 83 13.591 2.884 6.063 1.00 0.00 C ATOM 1266 O ALA A 83 13.896 2.335 7.088 1.00 0.00 O ATOM 1267 CB ALA A 83 15.094 4.747 5.778 1.00 0.00 C ATOM 0 H ALA A 83 13.117 3.732 3.804 1.00 0.00 H new ATOM 0 HA ALA A 83 15.506 2.810 5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.460 4.588 6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.899 5.143 5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.268 5.458 5.798 1.00 0.00 H new ATOM 1273 N LYS A 84 12.349 3.053 5.679 1.00 0.00 N ATOM 1274 CA LYS A 84 11.295 2.407 6.372 1.00 0.00 C ATOM 1275 C LYS A 84 11.423 0.900 6.171 1.00 0.00 C ATOM 1276 O LYS A 84 11.023 0.115 7.031 1.00 0.00 O ATOM 1277 CB LYS A 84 9.974 3.071 5.934 1.00 0.00 C ATOM 1278 CG LYS A 84 8.779 2.192 5.696 1.00 0.00 C ATOM 1279 CD LYS A 84 8.208 1.633 6.966 1.00 0.00 C ATOM 1280 CE LYS A 84 6.857 1.029 6.690 1.00 0.00 C ATOM 1281 NZ LYS A 84 6.186 0.585 7.944 1.00 0.00 N ATOM 0 H LYS A 84 12.058 3.633 4.892 1.00 0.00 H new ATOM 0 HA LYS A 84 11.330 2.528 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.702 3.803 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.169 3.623 5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.010 2.765 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.063 1.371 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.878 0.878 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.119 2.421 7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.229 1.760 6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.969 0.179 6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.171 0.446 7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.606 -0.311 8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.311 1.309 8.680 1.00 0.00 H new ATOM 1295 N ALA A 85 12.102 0.470 5.107 1.00 0.00 N ATOM 1296 CA ALA A 85 12.419 -0.906 4.908 1.00 0.00 C ATOM 1297 C ALA A 85 13.824 -1.219 5.354 1.00 0.00 C ATOM 1298 O ALA A 85 14.117 -2.344 5.764 1.00 0.00 O ATOM 1299 CB ALA A 85 12.226 -1.297 3.468 1.00 0.00 C ATOM 0 H ALA A 85 12.440 1.086 4.367 1.00 0.00 H new ATOM 0 HA ALA A 85 11.734 -1.491 5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.474 -2.351 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.187 -1.132 3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.877 -0.692 2.836 1.00 0.00 H new ATOM 1305 N ASN A 86 14.723 -0.274 5.190 1.00 0.00 N ATOM 1306 CA ASN A 86 16.034 -0.379 5.844 1.00 0.00 C ATOM 1307 C ASN A 86 15.847 -0.625 7.357 1.00 0.00 C ATOM 1308 O ASN A 86 16.613 -1.340 7.965 1.00 0.00 O ATOM 1309 CB ASN A 86 16.778 0.918 5.679 1.00 0.00 C ATOM 1310 CG ASN A 86 18.275 0.829 5.901 1.00 0.00 C ATOM 1311 OD1 ASN A 86 18.879 1.762 6.416 1.00 0.00 O ATOM 1312 ND2 ASN A 86 18.893 -0.220 5.394 1.00 0.00 N ATOM 0 H ASN A 86 14.588 0.564 4.624 1.00 0.00 H new ATOM 0 HA ASN A 86 16.586 -1.203 5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 86 16.597 1.298 4.674 1.00 0.00 H new ATOM 0 HB3 ASN A 86 16.365 1.648 6.375 1.00 0.00 H new ATOM 0 HD21 ASN A 86 19.911 -0.275 5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 86 18.353 -0.976 4.974 1.00 0.00 H new ATOM 1319 N GLN A 87 14.795 -0.024 7.924 1.00 0.00 N ATOM 1320 CA GLN A 87 14.412 -0.172 9.329 1.00 0.00 C ATOM 1321 C GLN A 87 13.734 -1.536 9.542 1.00 0.00 C ATOM 1322 O GLN A 87 13.855 -2.162 10.582 1.00 0.00 O ATOM 1323 CB GLN A 87 13.476 1.015 9.699 1.00 0.00 C ATOM 1324 CG GLN A 87 12.157 0.744 10.431 1.00 0.00 C ATOM 1325 CD GLN A 87 12.257 0.344 11.910 1.00 0.00 C ATOM 1326 OE1 GLN A 87 12.312 1.201 12.791 1.00 0.00 O ATOM 1327 NE2 GLN A 87 12.198 -0.935 12.205 1.00 0.00 N ATOM 0 H GLN A 87 14.172 0.594 7.404 1.00 0.00 H new ATOM 0 HA GLN A 87 15.285 -0.146 9.981 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.053 1.705 10.314 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.233 1.538 8.774 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.540 1.640 10.362 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.630 -0.048 9.899 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.153 -1.629 11.459 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.197 -1.234 13.180 1.00 0.00 H new ATOM 1336 N LEU A 88 13.199 -2.054 8.466 1.00 0.00 N ATOM 1337 CA LEU A 88 12.431 -3.292 8.627 1.00 0.00 C ATOM 1338 C LEU A 88 13.273 -4.560 8.601 1.00 0.00 C ATOM 1339 O LEU A 88 12.761 -5.671 8.799 1.00 0.00 O ATOM 1340 CB LEU A 88 11.193 -3.295 7.696 1.00 0.00 C ATOM 1341 CG LEU A 88 11.322 -3.616 6.231 1.00 0.00 C ATOM 1342 CD1 LEU A 88 11.402 -5.107 6.015 1.00 0.00 C ATOM 1343 CD2 LEU A 88 10.112 -3.043 5.530 1.00 0.00 C ATOM 0 H LEU A 88 13.264 -1.679 7.520 1.00 0.00 H new ATOM 0 HA LEU A 88 12.042 -3.306 9.645 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.480 -4.005 8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.739 -2.307 7.767 1.00 0.00 H new ATOM 0 HG LEU A 88 12.237 -3.181 5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.495 -5.316 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.271 -5.505 6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.498 -5.579 6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.174 -3.258 4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.207 -3.493 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.081 -1.964 5.681 1.00 0.00 H new ATOM 1355 N GLN A 89 14.567 -4.379 8.456 1.00 0.00 N ATOM 1356 CA GLN A 89 15.499 -5.480 8.379 1.00 0.00 C ATOM 1357 C GLN A 89 16.811 -5.095 8.981 1.00 0.00 C ATOM 1358 O GLN A 89 17.258 -3.967 8.815 1.00 0.00 O ATOM 1359 CB GLN A 89 15.808 -5.852 6.938 1.00 0.00 C ATOM 1360 CG GLN A 89 14.641 -6.159 6.051 1.00 0.00 C ATOM 1361 CD GLN A 89 15.093 -6.719 4.725 1.00 0.00 C ATOM 1362 OE1 GLN A 89 14.399 -7.481 4.081 1.00 0.00 O ATOM 1363 NE2 GLN A 89 16.277 -6.355 4.310 1.00 0.00 N ATOM 0 H GLN A 89 15.003 -3.460 8.388 1.00 0.00 H new ATOM 0 HA GLN A 89 15.031 -6.311 8.906 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.369 -5.032 6.489 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.466 -6.721 6.946 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.984 -6.874 6.545 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.059 -5.253 5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.839 -5.714 4.870 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.639 -6.712 3.426 1.00 0.00 H new ATOM 1372 N GLU A 90 17.457 -6.040 9.634 1.00 0.00 N ATOM 1373 CA GLU A 90 18.808 -5.799 10.091 1.00 0.00 C ATOM 1374 C GLU A 90 19.700 -5.804 8.839 1.00 0.00 C ATOM 1375 O GLU A 90 20.817 -5.293 8.842 1.00 0.00 O ATOM 1376 CB GLU A 90 19.281 -6.939 10.999 1.00 0.00 C ATOM 1377 CG GLU A 90 18.458 -7.146 12.249 1.00 0.00 C ATOM 1378 CD GLU A 90 18.440 -5.931 13.132 1.00 0.00 C ATOM 1379 OE1 GLU A 90 19.515 -5.370 13.414 1.00 0.00 O ATOM 1380 OE2 GLU A 90 17.354 -5.540 13.603 1.00 0.00 O ATOM 0 H GLU A 90 17.079 -6.961 9.856 1.00 0.00 H new ATOM 0 HA GLU A 90 18.854 -4.860 10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 90 19.279 -7.865 10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 90 20.314 -6.746 11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.436 -7.403 11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 90 18.858 -7.992 12.808 1.00 0.00 H new ATOM 1387 N GLN A 91 19.176 -6.405 7.760 1.00 0.00 N ATOM 1388 CA GLN A 91 19.867 -6.545 6.504 1.00 0.00 C ATOM 1389 C GLN A 91 19.812 -5.287 5.654 1.00 0.00 C ATOM 1390 O GLN A 91 20.746 -5.027 4.907 1.00 0.00 O ATOM 1391 CB GLN A 91 19.283 -7.703 5.709 1.00 0.00 C ATOM 1392 CG GLN A 91 19.311 -9.025 6.444 1.00 0.00 C ATOM 1393 CD GLN A 91 20.706 -9.424 6.898 1.00 0.00 C ATOM 1394 OE1 GLN A 91 21.706 -9.094 6.263 1.00 0.00 O ATOM 1395 NE2 GLN A 91 20.788 -10.094 8.015 1.00 0.00 N ATOM 0 H GLN A 91 18.240 -6.810 7.753 1.00 0.00 H new ATOM 0 HA GLN A 91 20.912 -6.735 6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.252 -7.467 5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.836 -7.806 4.775 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.656 -8.965 7.313 1.00 0.00 H new ATOM 0 HG3 GLN A 91 18.910 -9.804 5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 91 19.939 -10.353 8.518 1.00 0.00 H new ATOM 0 HE22 GLN A 91 21.701 -10.359 8.385 1.00 0.00 H new ATOM 1404 N GLY A 92 18.728 -4.503 5.717 1.00 0.00 N ATOM 1405 CA GLY A 92 18.722 -3.318 4.900 1.00 0.00 C ATOM 1406 C GLY A 92 18.004 -3.489 3.562 1.00 0.00 C ATOM 1407 O GLY A 92 18.661 -3.474 2.543 1.00 0.00 O ATOM 0 H GLY A 92 17.900 -4.664 6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 92 18.247 -2.509 5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 92 19.752 -3.014 4.712 1.00 0.00 H new ATOM 1411 N MET A 93 16.651 -3.627 3.589 1.00 0.00 N ATOM 1412 CA MET A 93 15.758 -3.846 2.400 1.00 0.00 C ATOM 1413 C MET A 93 16.276 -4.897 1.395 1.00 0.00 C ATOM 1414 O MET A 93 17.171 -4.619 0.591 1.00 0.00 O ATOM 1415 CB MET A 93 15.323 -2.533 1.699 1.00 0.00 C ATOM 1416 CG MET A 93 16.429 -1.707 1.048 1.00 0.00 C ATOM 1417 SD MET A 93 15.806 -0.203 0.273 1.00 0.00 S ATOM 1418 CE MET A 93 17.311 0.463 -0.425 1.00 0.00 C ATOM 0 H MET A 93 16.127 -3.589 4.463 1.00 0.00 H new ATOM 0 HA MET A 93 14.856 -4.279 2.833 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.589 -2.783 0.933 1.00 0.00 H new ATOM 0 HB3 MET A 93 14.817 -1.906 2.433 1.00 0.00 H new ATOM 0 HG2 MET A 93 17.171 -1.443 1.801 1.00 0.00 H new ATOM 0 HG3 MET A 93 16.937 -2.314 0.299 1.00 0.00 H new ATOM 0 HE1 MET A 93 17.091 1.398 -0.940 1.00 0.00 H new ATOM 0 HE2 MET A 93 18.031 0.649 0.372 1.00 0.00 H new ATOM 0 HE3 MET A 93 17.731 -0.251 -1.133 1.00 0.00 H new ATOM 1428 N GLU A 94 15.706 -6.103 1.405 1.00 0.00 N ATOM 1429 CA GLU A 94 16.249 -7.132 0.540 1.00 0.00 C ATOM 1430 C GLU A 94 15.289 -8.321 0.322 1.00 0.00 C ATOM 1431 O GLU A 94 15.656 -9.260 -0.388 1.00 0.00 O ATOM 1432 CB GLU A 94 17.613 -7.646 1.073 1.00 0.00 C ATOM 1433 CG GLU A 94 17.516 -8.706 2.160 1.00 0.00 C ATOM 1434 CD GLU A 94 18.751 -9.574 2.222 1.00 0.00 C ATOM 1435 OE1 GLU A 94 18.820 -10.573 1.469 1.00 0.00 O ATOM 1436 OE2 GLU A 94 19.644 -9.309 3.031 1.00 0.00 O ATOM 0 H GLU A 94 14.906 -6.377 1.976 1.00 0.00 H new ATOM 0 HA GLU A 94 16.392 -6.656 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.183 -8.053 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.178 -6.798 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.365 -8.222 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.643 -9.332 1.978 1.00 0.00 H new ATOM 1443 N THR A 95 14.044 -8.233 0.826 1.00 0.00 N ATOM 1444 CA THR A 95 13.119 -9.391 0.792 1.00 0.00 C ATOM 1445 C THR A 95 11.915 -9.184 1.742 1.00 0.00 C ATOM 1446 O THR A 95 10.778 -9.483 1.395 1.00 0.00 O ATOM 1447 CB THR A 95 13.866 -10.734 1.183 1.00 0.00 C ATOM 1448 OG1 THR A 95 13.058 -11.906 0.978 1.00 0.00 O ATOM 1449 CG2 THR A 95 14.374 -10.731 2.633 1.00 0.00 C ATOM 0 H THR A 95 13.657 -7.392 1.254 1.00 0.00 H new ATOM 0 HA THR A 95 12.752 -9.470 -0.231 1.00 0.00 H new ATOM 0 HB THR A 95 14.721 -10.775 0.508 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.395 -11.728 0.279 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.877 -11.675 2.844 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.075 -9.908 2.771 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.531 -10.608 3.313 1.00 0.00 H new ATOM 1457 N SER A 96 12.163 -8.613 2.908 1.00 0.00 N ATOM 1458 CA SER A 96 11.127 -8.538 3.917 1.00 0.00 C ATOM 1459 C SER A 96 10.266 -7.304 3.754 1.00 0.00 C ATOM 1460 O SER A 96 9.167 -7.256 4.261 1.00 0.00 O ATOM 1461 CB SER A 96 11.746 -8.614 5.322 1.00 0.00 C ATOM 1462 OG SER A 96 10.766 -8.673 6.355 1.00 0.00 O ATOM 0 H SER A 96 13.057 -8.202 3.175 1.00 0.00 H new ATOM 0 HA SER A 96 10.467 -9.396 3.785 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.387 -9.494 5.385 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.383 -7.744 5.481 1.00 0.00 H new ATOM 0 HG SER A 96 11.212 -8.722 7.226 1.00 0.00 H new ATOM 1468 N GLU A 97 10.726 -6.352 2.955 1.00 0.00 N ATOM 1469 CA GLU A 97 10.020 -5.065 2.777 1.00 0.00 C ATOM 1470 C GLU A 97 8.737 -5.212 1.983 1.00 0.00 C ATOM 1471 O GLU A 97 7.856 -4.347 1.939 1.00 0.00 O ATOM 1472 CB GLU A 97 10.917 -4.023 2.128 1.00 0.00 C ATOM 1473 CG GLU A 97 11.437 -4.306 0.718 1.00 0.00 C ATOM 1474 CD GLU A 97 12.637 -5.234 0.662 1.00 0.00 C ATOM 1475 OE1 GLU A 97 12.945 -5.926 1.664 1.00 0.00 O ATOM 1476 OE2 GLU A 97 13.291 -5.288 -0.380 1.00 0.00 O ATOM 0 H GLU A 97 11.586 -6.435 2.413 1.00 0.00 H new ATOM 0 HA GLU A 97 9.753 -4.725 3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.369 -3.081 2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.779 -3.872 2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.630 -4.741 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.703 -3.360 0.246 1.00 0.00 H new ATOM 1483 N MET A 98 8.567 -6.381 1.572 1.00 0.00 N ATOM 1484 CA MET A 98 7.608 -6.851 0.632 1.00 0.00 C ATOM 1485 C MET A 98 6.513 -7.548 1.419 1.00 0.00 C ATOM 1486 O MET A 98 5.345 -7.265 1.285 1.00 0.00 O ATOM 1487 CB MET A 98 8.387 -7.769 -0.310 1.00 0.00 C ATOM 1488 CG MET A 98 9.468 -7.006 -1.044 1.00 0.00 C ATOM 1489 SD MET A 98 10.434 -7.997 -2.187 1.00 0.00 S ATOM 1490 CE MET A 98 11.585 -6.758 -2.788 1.00 0.00 C ATOM 0 H MET A 98 9.155 -7.141 1.913 1.00 0.00 H new ATOM 0 HA MET A 98 7.119 -6.080 0.037 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.835 -8.583 0.259 1.00 0.00 H new ATOM 0 HB3 MET A 98 7.704 -8.221 -1.029 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.006 -6.186 -1.594 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.141 -6.560 -0.312 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.752 -6.904 -3.855 1.00 0.00 H new ATOM 0 HE2 MET A 98 11.171 -5.764 -2.618 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.532 -6.852 -2.256 1.00 0.00 H new ATOM 1500 N LEU A 99 6.947 -8.441 2.276 1.00 0.00 N ATOM 1501 CA LEU A 99 6.027 -9.055 3.243 1.00 0.00 C ATOM 1502 C LEU A 99 5.598 -7.983 4.255 1.00 0.00 C ATOM 1503 O LEU A 99 4.534 -8.048 4.893 1.00 0.00 O ATOM 1504 CB LEU A 99 6.692 -10.228 3.977 1.00 0.00 C ATOM 1505 CG LEU A 99 7.002 -11.494 3.162 1.00 0.00 C ATOM 1506 CD1 LEU A 99 8.033 -11.251 2.070 1.00 0.00 C ATOM 1507 CD2 LEU A 99 7.458 -12.604 4.075 1.00 0.00 C ATOM 0 H LEU A 99 7.913 -8.764 2.335 1.00 0.00 H new ATOM 0 HA LEU A 99 5.160 -9.446 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.627 -9.868 4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.047 -10.513 4.808 1.00 0.00 H new ATOM 0 HG LEU A 99 6.077 -11.788 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.213 -12.179 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.661 -10.493 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.965 -10.907 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.674 -13.495 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.358 -12.293 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.672 -12.828 4.796 1.00 0.00 H new ATOM 1519 N ALA A 100 6.456 -6.986 4.367 1.00 0.00 N ATOM 1520 CA ALA A 100 6.255 -5.844 5.218 1.00 0.00 C ATOM 1521 C ALA A 100 5.028 -5.092 4.831 1.00 0.00 C ATOM 1522 O ALA A 100 4.327 -4.597 5.700 1.00 0.00 O ATOM 1523 CB ALA A 100 7.428 -4.922 5.167 1.00 0.00 C ATOM 0 H ALA A 100 7.335 -6.954 3.851 1.00 0.00 H new ATOM 0 HA ALA A 100 6.138 -6.221 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.248 -4.068 5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.321 -5.451 5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.572 -4.573 4.144 1.00 0.00 H new ATOM 1529 N LEU A 101 4.756 -5.022 3.526 1.00 0.00 N ATOM 1530 CA LEU A 101 3.556 -4.406 2.988 1.00 0.00 C ATOM 1531 C LEU A 101 2.306 -4.907 3.710 1.00 0.00 C ATOM 1532 O LEU A 101 1.374 -4.148 3.942 1.00 0.00 O ATOM 1533 CB LEU A 101 3.475 -4.686 1.513 1.00 0.00 C ATOM 1534 CG LEU A 101 4.663 -4.125 0.709 1.00 0.00 C ATOM 1535 CD1 LEU A 101 4.694 -4.673 -0.694 1.00 0.00 C ATOM 1536 CD2 LEU A 101 4.638 -2.604 0.676 1.00 0.00 C ATOM 0 H LEU A 101 5.376 -5.399 2.809 1.00 0.00 H new ATOM 0 HA LEU A 101 3.608 -3.329 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.421 -5.764 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.550 -4.261 1.122 1.00 0.00 H new ATOM 0 HG LEU A 101 5.571 -4.447 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.546 -4.254 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.786 -5.759 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.773 -4.403 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.489 -2.239 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.713 -2.265 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.694 -2.217 1.693 1.00 0.00 H new ATOM 1548 N LEU A 102 2.329 -6.162 4.127 1.00 0.00 N ATOM 1549 CA LEU A 102 1.241 -6.727 4.893 1.00 0.00 C ATOM 1550 C LEU A 102 1.145 -6.119 6.291 1.00 0.00 C ATOM 1551 O LEU A 102 0.065 -5.704 6.713 1.00 0.00 O ATOM 1552 CB LEU A 102 1.349 -8.240 5.008 1.00 0.00 C ATOM 1553 CG LEU A 102 0.379 -8.869 6.013 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.065 -8.804 5.523 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.785 -10.283 6.370 1.00 0.00 C ATOM 0 H LEU A 102 3.096 -6.809 3.944 1.00 0.00 H new ATOM 0 HA LEU A 102 0.333 -6.481 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.172 -8.680 4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.368 -8.499 5.295 1.00 0.00 H new ATOM 0 HG LEU A 102 0.434 -8.277 6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.722 -9.260 6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.353 -7.763 5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.154 -9.342 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.074 -10.696 7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.793 -10.897 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.781 -10.275 6.813 1.00 0.00 H new ATOM 1567 N HIS A 103 2.248 -6.050 7.025 1.00 0.00 N ATOM 1568 CA HIS A 103 2.148 -5.522 8.376 1.00 0.00 C ATOM 1569 C HIS A 103 1.853 -4.030 8.368 1.00 0.00 C ATOM 1570 O HIS A 103 1.180 -3.530 9.252 1.00 0.00 O ATOM 1571 CB HIS A 103 3.313 -5.904 9.322 1.00 0.00 C ATOM 1572 CG HIS A 103 4.696 -5.487 8.913 1.00 0.00 C ATOM 1573 ND1 HIS A 103 5.016 -4.173 8.673 1.00 0.00 N ATOM 1574 CD2 HIS A 103 5.798 -6.253 8.731 1.00 0.00 C ATOM 1575 CE1 HIS A 103 6.292 -4.164 8.350 1.00 0.00 C ATOM 1576 NE2 HIS A 103 6.811 -5.402 8.378 1.00 0.00 N ATOM 0 H HIS A 103 3.180 -6.338 6.726 1.00 0.00 H new ATOM 0 HA HIS A 103 1.291 -6.029 8.818 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.107 -5.474 10.302 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.309 -6.987 9.442 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.865 -7.325 8.842 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.850 -3.275 8.095 1.00 0.00 H new ATOM 0 HE2 HIS A 103 7.777 -5.660 8.175 1.00 0.00 H new ATOM 1584 N ILE A 104 2.272 -3.359 7.307 1.00 0.00 N ATOM 1585 CA ILE A 104 2.026 -1.921 7.188 1.00 0.00 C ATOM 1586 C ILE A 104 0.603 -1.666 6.721 1.00 0.00 C ATOM 1587 O ILE A 104 -0.041 -0.707 7.143 1.00 0.00 O ATOM 1588 CB ILE A 104 3.113 -1.152 6.333 1.00 0.00 C ATOM 1589 CG1 ILE A 104 2.791 0.340 6.066 1.00 0.00 C ATOM 1590 CG2 ILE A 104 3.405 -1.834 5.023 1.00 0.00 C ATOM 1591 CD1 ILE A 104 1.854 0.587 4.886 1.00 0.00 C ATOM 0 H ILE A 104 2.777 -3.774 6.524 1.00 0.00 H new ATOM 0 HA ILE A 104 2.132 -1.494 8.185 1.00 0.00 H new ATOM 0 HB ILE A 104 3.999 -1.182 6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.344 0.768 6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.725 0.874 5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.157 -1.265 4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.778 -2.841 5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.492 -1.891 4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.685 1.658 4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.305 0.193 3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.903 0.086 5.066 1.00 0.00 H new ATOM 1603 N THR A 105 0.100 -2.558 5.900 1.00 0.00 N ATOM 1604 CA THR A 105 -1.253 -2.415 5.421 1.00 0.00 C ATOM 1605 C THR A 105 -2.231 -2.717 6.565 1.00 0.00 C ATOM 1606 O THR A 105 -3.212 -2.036 6.755 1.00 0.00 O ATOM 1607 CB THR A 105 -1.524 -3.298 4.158 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.672 -2.846 3.447 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.747 -4.743 4.522 1.00 0.00 C ATOM 0 H THR A 105 0.599 -3.378 5.555 1.00 0.00 H new ATOM 0 HA THR A 105 -1.406 -1.385 5.098 1.00 0.00 H new ATOM 0 HB THR A 105 -0.635 -3.210 3.533 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.710 -1.867 3.475 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.932 -5.322 3.617 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.863 -5.132 5.027 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.608 -4.822 5.185 1.00 0.00 H new ATOM 1617 N ARG A 106 -1.891 -3.667 7.394 1.00 0.00 N ATOM 1618 CA ARG A 106 -2.818 -3.980 8.458 1.00 0.00 C ATOM 1619 C ARG A 106 -2.715 -2.910 9.529 1.00 0.00 C ATOM 1620 O ARG A 106 -3.690 -2.553 10.161 1.00 0.00 O ATOM 1621 CB ARG A 106 -2.647 -5.391 9.015 1.00 0.00 C ATOM 1622 CG ARG A 106 -1.361 -5.622 9.771 1.00 0.00 C ATOM 1623 CD ARG A 106 -1.279 -7.047 10.270 1.00 0.00 C ATOM 1624 NE ARG A 106 -0.074 -7.304 11.064 1.00 0.00 N ATOM 1625 CZ ARG A 106 0.392 -8.528 11.331 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -0.235 -9.601 10.835 1.00 0.00 N ATOM 1627 NH2 ARG A 106 1.475 -8.684 12.091 1.00 0.00 N ATOM 0 H ARG A 106 -1.030 -4.213 7.364 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.827 -3.977 8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.485 -5.609 9.677 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.699 -6.101 8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.510 -5.409 9.124 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.301 -4.933 10.613 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.160 -7.267 10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.299 -7.727 9.418 1.00 0.00 H new ATOM 0 HE ARG A 106 0.438 -6.503 11.434 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.066 -9.483 10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.118 -10.536 11.037 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.953 -7.867 12.472 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.827 -9.620 12.292 1.00 0.00 H new ATOM 1641 N ASP A 107 -1.529 -2.383 9.684 1.00 0.00 N ATOM 1642 CA ASP A 107 -1.267 -1.289 10.592 1.00 0.00 C ATOM 1643 C ASP A 107 -2.068 -0.052 10.196 1.00 0.00 C ATOM 1644 O ASP A 107 -3.059 0.333 10.853 1.00 0.00 O ATOM 1645 CB ASP A 107 0.243 -0.998 10.568 1.00 0.00 C ATOM 1646 CG ASP A 107 0.655 0.277 11.263 1.00 0.00 C ATOM 1647 OD1 ASP A 107 0.574 0.343 12.510 1.00 0.00 O ATOM 1648 OD2 ASP A 107 1.126 1.210 10.572 1.00 0.00 O ATOM 0 H ASP A 107 -0.704 -2.704 9.177 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.575 -1.561 11.602 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.767 -1.834 11.032 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.573 -0.952 9.530 1.00 0.00 H new ATOM 1653 N ALA A 108 -1.718 0.486 9.063 1.00 0.00 N ATOM 1654 CA ALA A 108 -2.272 1.716 8.577 1.00 0.00 C ATOM 1655 C ALA A 108 -3.761 1.599 8.286 1.00 0.00 C ATOM 1656 O ALA A 108 -4.553 2.299 8.860 1.00 0.00 O ATOM 1657 CB ALA A 108 -1.530 2.081 7.323 1.00 0.00 C ATOM 0 H ALA A 108 -1.025 0.073 8.439 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.163 2.485 9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -1.926 3.015 6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.471 2.204 7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.653 1.290 6.584 1.00 0.00 H new ATOM 1663 N TYR A 109 -4.117 0.614 7.523 1.00 0.00 N ATOM 1664 CA TYR A 109 -5.510 0.504 7.002 1.00 0.00 C ATOM 1665 C TYR A 109 -6.503 0.316 8.138 1.00 0.00 C ATOM 1666 O TYR A 109 -7.651 0.759 8.095 1.00 0.00 O ATOM 1667 CB TYR A 109 -5.601 -0.633 5.968 1.00 0.00 C ATOM 1668 CG TYR A 109 -4.815 -0.378 4.676 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -3.524 0.138 4.703 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -5.356 -0.668 3.441 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -2.805 0.353 3.559 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -4.635 -0.459 2.282 1.00 0.00 C ATOM 1673 CZ TYR A 109 -3.357 0.051 2.352 1.00 0.00 C ATOM 1674 OH TYR A 109 -2.630 0.248 1.205 1.00 0.00 O ATOM 0 H TYR A 109 -3.493 -0.138 7.229 1.00 0.00 H new ATOM 0 HA TYR A 109 -5.772 1.435 6.500 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.237 -1.553 6.425 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.649 -0.795 5.716 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -3.075 0.376 5.656 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.359 -1.065 3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.806 0.760 3.613 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -5.072 -0.695 1.323 1.00 0.00 H new ATOM 0 HH TYR A 109 -3.183 0.712 0.543 1.00 0.00 H new ATOM 1684 N ARG A 110 -5.966 -0.304 9.147 1.00 0.00 N ATOM 1685 CA ARG A 110 -6.847 -0.478 10.293 1.00 0.00 C ATOM 1686 C ARG A 110 -7.103 0.820 11.066 1.00 0.00 C ATOM 1687 O ARG A 110 -7.965 0.868 11.937 1.00 0.00 O ATOM 1688 CB ARG A 110 -6.521 -1.673 11.154 1.00 0.00 C ATOM 1689 CG ARG A 110 -6.582 -2.944 10.340 1.00 0.00 C ATOM 1690 CD ARG A 110 -7.901 -3.051 9.580 1.00 0.00 C ATOM 1691 NE ARG A 110 -8.074 -4.316 8.862 1.00 0.00 N ATOM 1692 CZ ARG A 110 -7.360 -4.738 7.801 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -6.331 -4.025 7.333 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -7.694 -5.868 7.198 1.00 0.00 N ATOM 0 H ARG A 110 -5.017 -0.671 9.217 1.00 0.00 H new ATOM 0 HA ARG A 110 -7.816 -0.736 9.866 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.527 -1.558 11.585 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.224 -1.732 11.985 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -5.751 -2.968 9.636 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.467 -3.806 10.998 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.725 -2.929 10.283 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.966 -2.229 8.867 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.808 -4.939 9.199 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.075 -3.145 7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.802 -4.361 6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.487 -6.412 7.538 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.158 -6.195 6.394 1.00 0.00 H new ATOM 1708 N SER A 111 -6.369 1.872 10.741 1.00 0.00 N ATOM 1709 CA SER A 111 -6.653 3.187 11.293 1.00 0.00 C ATOM 1710 C SER A 111 -7.418 4.189 10.354 1.00 0.00 C ATOM 1711 O SER A 111 -7.903 5.213 10.845 1.00 0.00 O ATOM 1712 CB SER A 111 -5.406 3.804 11.952 1.00 0.00 C ATOM 1713 OG SER A 111 -4.234 3.607 11.170 1.00 0.00 O ATOM 0 H SER A 111 -5.576 1.842 10.101 1.00 0.00 H new ATOM 0 HA SER A 111 -7.390 2.997 12.073 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.566 4.872 12.101 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.262 3.362 12.938 1.00 0.00 H new ATOM 0 HG SER A 111 -4.487 3.436 10.239 1.00 0.00 H new ATOM 1719 N TRP A 112 -7.584 3.910 9.024 1.00 0.00 N ATOM 1720 CA TRP A 112 -8.259 4.891 8.116 1.00 0.00 C ATOM 1721 C TRP A 112 -8.873 4.257 6.887 1.00 0.00 C ATOM 1722 O TRP A 112 -9.536 4.935 6.111 1.00 0.00 O ATOM 1723 CB TRP A 112 -7.285 5.998 7.622 1.00 0.00 C ATOM 1724 CG TRP A 112 -5.852 5.663 7.871 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -5.146 4.677 7.277 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -4.960 6.298 8.790 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -3.898 4.628 7.787 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -3.751 5.602 8.718 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -5.068 7.365 9.678 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -2.654 5.920 9.488 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -3.967 7.693 10.444 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -2.772 6.968 10.348 1.00 0.00 C ATOM 0 H TRP A 112 -7.274 3.050 8.572 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.050 5.318 8.733 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -7.436 6.158 6.554 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -7.526 6.936 8.122 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -5.525 4.023 6.506 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -3.176 3.961 7.514 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -5.989 7.922 9.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -1.735 5.359 9.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -4.028 8.525 11.130 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -1.931 7.245 10.966 1.00 0.00 H new ATOM 1743 N THR A 113 -8.706 2.979 6.715 1.00 0.00 N ATOM 1744 CA THR A 113 -9.110 2.402 5.469 1.00 0.00 C ATOM 1745 C THR A 113 -10.324 1.512 5.650 1.00 0.00 C ATOM 1746 O THR A 113 -11.463 1.946 5.470 1.00 0.00 O ATOM 1747 CB THR A 113 -7.959 1.596 4.849 1.00 0.00 C ATOM 1748 OG1 THR A 113 -6.739 2.330 4.974 1.00 0.00 O ATOM 1749 CG2 THR A 113 -8.200 1.337 3.382 1.00 0.00 C ATOM 0 H THR A 113 -8.306 2.335 7.397 1.00 0.00 H new ATOM 0 HA THR A 113 -9.375 3.217 4.795 1.00 0.00 H new ATOM 0 HB THR A 113 -7.898 0.644 5.377 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.876 3.249 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.368 0.765 2.972 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.124 0.772 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 113 -8.282 2.287 2.854 1.00 0.00 H new ATOM 1757 N ASN A 114 -10.077 0.309 6.103 1.00 0.00 N ATOM 1758 CA ASN A 114 -11.071 -0.743 6.175 1.00 0.00 C ATOM 1759 C ASN A 114 -10.695 -1.592 7.348 1.00 0.00 C ATOM 1760 O ASN A 114 -9.689 -2.288 7.247 1.00 0.00 O ATOM 1761 CB ASN A 114 -11.063 -1.635 4.905 1.00 0.00 C ATOM 1762 CG ASN A 114 -11.347 -0.933 3.573 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -10.807 -1.327 2.547 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -12.197 0.078 3.556 1.00 0.00 N ATOM 1765 OXT ASN A 114 -11.386 -1.545 8.382 1.00 0.00 O ATOM 0 H ASN A 114 -9.158 0.023 6.441 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.065 -0.304 6.263 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -10.089 -2.119 4.834 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.802 -2.425 5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -12.415 0.547 2.677 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -12.636 0.390 4.422 1.00 0.00 H new TER 1772 ASN A 114