USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 889 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 67 MET CE :methyl -135:sc= -0.443 (180deg=-0.38) USER MOD Set 1.2: A 91 GLN : amide:sc= -4.03 X(o=-4.5,f=-4.8!) USER MOD Set 2.1: A 32 SER OG : rot 74:sc= 1.24 USER MOD Set 2.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 27 ASN : amide:sc= -0.0503 K(o=-0.05,f=-0.84) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.107 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 63:sc= 0.83 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -141:sc= -2.96! (180deg=-5.64!) USER MOD Single : A 16 HIS : no HD1:sc= -3.68! K(o=-3.7!,f=-1.8) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 28 MET CE :methyl -128:sc=-0.00498 (180deg=-0.259) USER MOD Single : A 30 GLN : amide:sc=-0.00448 K(o=-0.0045,f=-1.3!) USER MOD Single : A 33 THR OG1 : rot 21:sc= 0.688 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -85:sc= -2.12! USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 135:sc= 0.527 USER MOD Single : A 51 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.2) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -50:sc= 0.829 USER MOD Single : A 65 MET CE :methyl -96:sc= -0.0871 (180deg=-0.596) USER MOD Single : A 70 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.8) USER MOD Single : A 79 SER OG : rot -132:sc= -0.144 USER MOD Single : A 80 MET CE :methyl -165:sc= -0.0262 (180deg=-0.524) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00129 USER MOD Single : A 100 TYR OH : rot 130:sc= -0.338 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 105 SER OG : rot 63:sc= 0.7 USER MOD Single : A 106 TYR OH : rot 41:sc= -0.0655 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.586 5.926 16.399 1.00 0.00 N ATOM 2 CA GLY A 1 -10.602 5.659 15.396 1.00 0.00 C ATOM 3 C GLY A 1 -12.006 5.768 15.995 1.00 0.00 C ATOM 4 O GLY A 1 -12.162 6.155 17.152 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.025 6.753 16.113 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.043 6.117 17.314 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.962 5.099 16.490 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.499 6.365 14.572 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.456 4.661 14.982 1.00 0.00 H new ATOM 8 N SER A 2 -12.991 5.420 15.181 1.00 0.00 N ATOM 9 CA SER A 2 -14.376 5.475 15.616 1.00 0.00 C ATOM 10 C SER A 2 -15.243 4.593 14.714 1.00 0.00 C ATOM 11 O SER A 2 -15.932 3.695 15.195 1.00 0.00 O ATOM 12 CB SER A 2 -14.899 6.913 15.612 1.00 0.00 C ATOM 13 OG SER A 2 -16.245 6.993 16.073 1.00 0.00 O ATOM 0 H SER A 2 -12.858 5.099 14.222 1.00 0.00 H new ATOM 0 HA SER A 2 -14.428 5.101 16.639 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.262 7.532 16.244 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.837 7.318 14.602 1.00 0.00 H new ATOM 0 HG SER A 2 -16.541 7.927 16.057 1.00 0.00 H new ATOM 19 N SER A 3 -15.181 4.881 13.422 1.00 0.00 N ATOM 20 CA SER A 3 -15.951 4.126 12.449 1.00 0.00 C ATOM 21 C SER A 3 -15.371 4.332 11.048 1.00 0.00 C ATOM 22 O SER A 3 -14.806 5.385 10.755 1.00 0.00 O ATOM 23 CB SER A 3 -17.426 4.533 12.478 1.00 0.00 C ATOM 24 OG SER A 3 -18.262 3.553 11.870 1.00 0.00 O ATOM 0 H SER A 3 -14.609 5.627 13.027 1.00 0.00 H new ATOM 0 HA SER A 3 -15.888 3.069 12.709 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.739 4.687 13.511 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.550 5.485 11.962 1.00 0.00 H new ATOM 0 HG SER A 3 -19.195 3.849 11.910 1.00 0.00 H new ATOM 30 N GLY A 4 -15.531 3.311 10.220 1.00 0.00 N ATOM 31 CA GLY A 4 -15.030 3.367 8.857 1.00 0.00 C ATOM 32 C GLY A 4 -13.850 2.411 8.667 1.00 0.00 C ATOM 33 O GLY A 4 -14.044 1.224 8.408 1.00 0.00 O ATOM 0 H GLY A 4 -16.001 2.440 10.466 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.828 3.108 8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.720 4.385 8.621 1.00 0.00 H new ATOM 37 N SER A 5 -12.654 2.964 8.803 1.00 0.00 N ATOM 38 CA SER A 5 -11.443 2.176 8.649 1.00 0.00 C ATOM 39 C SER A 5 -10.913 1.758 10.022 1.00 0.00 C ATOM 40 O SER A 5 -9.742 1.976 10.332 1.00 0.00 O ATOM 41 CB SER A 5 -10.373 2.954 7.881 1.00 0.00 C ATOM 42 OG SER A 5 -9.782 3.978 8.677 1.00 0.00 O ATOM 0 H SER A 5 -12.498 3.949 9.018 1.00 0.00 H new ATOM 0 HA SER A 5 -11.687 1.283 8.073 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.598 2.266 7.542 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.817 3.398 6.990 1.00 0.00 H new ATOM 0 HG SER A 5 -9.318 3.573 9.439 1.00 0.00 H new ATOM 48 N SER A 6 -11.799 1.166 10.808 1.00 0.00 N ATOM 49 CA SER A 6 -11.435 0.716 12.141 1.00 0.00 C ATOM 50 C SER A 6 -10.715 -0.632 12.059 1.00 0.00 C ATOM 51 O SER A 6 -11.099 -1.587 12.734 1.00 0.00 O ATOM 52 CB SER A 6 -12.667 0.606 13.041 1.00 0.00 C ATOM 53 OG SER A 6 -12.428 1.138 14.341 1.00 0.00 O ATOM 0 H SER A 6 -12.769 0.987 10.548 1.00 0.00 H new ATOM 0 HA SER A 6 -10.763 1.454 12.580 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.501 1.136 12.580 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.962 -0.440 13.126 1.00 0.00 H new ATOM 0 HG SER A 6 -13.239 1.051 14.884 1.00 0.00 H new ATOM 59 N GLY A 7 -9.684 -0.667 11.228 1.00 0.00 N ATOM 60 CA GLY A 7 -8.907 -1.882 11.050 1.00 0.00 C ATOM 61 C GLY A 7 -7.700 -1.633 10.144 1.00 0.00 C ATOM 62 O GLY A 7 -6.563 -1.901 10.530 1.00 0.00 O ATOM 0 H GLY A 7 -9.368 0.127 10.670 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.569 -2.247 12.020 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.536 -2.660 10.618 1.00 0.00 H new ATOM 66 N LEU A 8 -7.988 -1.122 8.955 1.00 0.00 N ATOM 67 CA LEU A 8 -6.940 -0.834 7.991 1.00 0.00 C ATOM 68 C LEU A 8 -5.730 -0.246 8.720 1.00 0.00 C ATOM 69 O LEU A 8 -4.587 -0.507 8.346 1.00 0.00 O ATOM 70 CB LEU A 8 -7.474 0.059 6.870 1.00 0.00 C ATOM 71 CG LEU A 8 -8.439 -0.607 5.885 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.460 0.400 5.353 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.676 -1.301 4.755 1.00 0.00 C ATOM 0 H LEU A 8 -8.932 -0.900 8.638 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.607 -1.751 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.979 0.913 7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.626 0.451 6.309 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.995 -1.378 6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.133 -0.098 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.035 0.808 6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.940 1.209 4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.385 -1.766 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.078 -0.567 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.021 -2.065 5.174 1.00 0.00 H new ATOM 85 N HIS A 9 -6.021 0.537 9.749 1.00 0.00 N ATOM 86 CA HIS A 9 -4.971 1.163 10.534 1.00 0.00 C ATOM 87 C HIS A 9 -3.969 0.102 10.991 1.00 0.00 C ATOM 88 O HIS A 9 -2.764 0.259 10.805 1.00 0.00 O ATOM 89 CB HIS A 9 -5.565 1.959 11.698 1.00 0.00 C ATOM 90 CG HIS A 9 -5.127 3.404 11.740 1.00 0.00 C ATOM 91 ND1 HIS A 9 -4.013 3.830 12.443 1.00 0.00 N ATOM 92 CD2 HIS A 9 -5.664 4.515 11.160 1.00 0.00 C ATOM 93 CE1 HIS A 9 -3.895 5.140 12.286 1.00 0.00 C ATOM 94 NE2 HIS A 9 -4.920 5.563 11.491 1.00 0.00 N ATOM 0 H HIS A 9 -6.969 0.752 10.057 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.430 1.881 9.917 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.652 1.921 11.633 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.285 1.477 12.635 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.546 4.538 10.537 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.123 5.764 12.712 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -5.087 6.526 11.199 1.00 0.00 H new ATOM 102 N ARG A 10 -4.505 -0.956 11.582 1.00 0.00 N ATOM 103 CA ARG A 10 -3.673 -2.044 12.068 1.00 0.00 C ATOM 104 C ARG A 10 -2.950 -2.720 10.902 1.00 0.00 C ATOM 105 O ARG A 10 -1.922 -3.368 11.096 1.00 0.00 O ATOM 106 CB ARG A 10 -4.509 -3.086 12.814 1.00 0.00 C ATOM 107 CG ARG A 10 -5.239 -4.007 11.834 1.00 0.00 C ATOM 108 CD ARG A 10 -4.622 -5.407 11.833 1.00 0.00 C ATOM 109 NE ARG A 10 -5.667 -6.421 12.098 1.00 0.00 N ATOM 110 CZ ARG A 10 -6.091 -6.761 13.322 1.00 0.00 C ATOM 111 NH1 ARG A 10 -5.562 -6.170 14.403 1.00 0.00 N ATOM 112 NH2 ARG A 10 -7.044 -7.692 13.467 1.00 0.00 N ATOM 0 H ARG A 10 -5.505 -1.083 11.735 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.942 -1.621 12.757 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.864 -3.678 13.463 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.233 -2.585 13.456 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.293 -4.070 12.105 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.193 -3.585 10.830 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.148 -5.604 10.871 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.842 -5.470 12.592 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.091 -6.891 11.298 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.837 -5.461 14.293 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.885 -6.429 15.335 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.447 -8.142 12.645 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.367 -7.951 14.399 1.00 0.00 H new ATOM 126 N ILE A 11 -3.515 -2.547 9.716 1.00 0.00 N ATOM 127 CA ILE A 11 -2.936 -3.133 8.519 1.00 0.00 C ATOM 128 C ILE A 11 -1.769 -2.266 8.045 1.00 0.00 C ATOM 129 O ILE A 11 -0.714 -2.783 7.681 1.00 0.00 O ATOM 130 CB ILE A 11 -4.014 -3.349 7.454 1.00 0.00 C ATOM 131 CG1 ILE A 11 -5.176 -4.175 8.009 1.00 0.00 C ATOM 132 CG2 ILE A 11 -3.418 -3.974 6.190 1.00 0.00 C ATOM 133 CD1 ILE A 11 -6.270 -4.360 6.955 1.00 0.00 C ATOM 0 H ILE A 11 -4.367 -2.010 9.558 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.531 -4.122 8.736 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.417 -2.376 7.173 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.811 -5.149 8.335 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.592 -3.680 8.887 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.205 -4.117 5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.653 -3.313 5.783 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.972 -4.938 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.084 -4.951 7.375 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.649 -3.385 6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.857 -4.877 6.089 1.00 0.00 H new ATOM 145 N VAL A 12 -1.996 -0.961 8.065 1.00 0.00 N ATOM 146 CA VAL A 12 -0.976 -0.016 7.642 1.00 0.00 C ATOM 147 C VAL A 12 0.246 -0.151 8.552 1.00 0.00 C ATOM 148 O VAL A 12 1.378 -0.209 8.073 1.00 0.00 O ATOM 149 CB VAL A 12 -1.551 1.401 7.620 1.00 0.00 C ATOM 150 CG1 VAL A 12 -0.456 2.433 7.344 1.00 0.00 C ATOM 151 CG2 VAL A 12 -2.685 1.517 6.599 1.00 0.00 C ATOM 0 H VAL A 12 -2.872 -0.535 8.368 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.651 -0.235 6.625 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.966 1.609 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.892 3.432 7.334 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.303 2.376 8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.002 2.227 6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.076 2.534 6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.306 1.279 5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.482 0.821 6.860 1.00 0.00 H new ATOM 161 N ASP A 13 -0.023 -0.198 9.849 1.00 0.00 N ATOM 162 CA ASP A 13 1.041 -0.325 10.830 1.00 0.00 C ATOM 163 C ASP A 13 1.924 -1.520 10.467 1.00 0.00 C ATOM 164 O ASP A 13 3.148 -1.405 10.435 1.00 0.00 O ATOM 165 CB ASP A 13 0.473 -0.565 12.230 1.00 0.00 C ATOM 166 CG ASP A 13 0.007 0.694 12.964 1.00 0.00 C ATOM 167 OD1 ASP A 13 0.890 1.509 13.309 1.00 0.00 O ATOM 168 OD2 ASP A 13 -1.221 0.813 13.164 1.00 0.00 O ATOM 0 H ASP A 13 -0.963 -0.150 10.243 1.00 0.00 H new ATOM 0 HA ASP A 13 1.615 0.602 10.827 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.368 -1.254 12.151 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.234 -1.059 12.834 1.00 0.00 H new ATOM 173 N LYS A 14 1.268 -2.640 10.201 1.00 0.00 N ATOM 174 CA LYS A 14 1.979 -3.856 9.841 1.00 0.00 C ATOM 175 C LYS A 14 2.842 -3.590 8.606 1.00 0.00 C ATOM 176 O LYS A 14 4.025 -3.926 8.587 1.00 0.00 O ATOM 177 CB LYS A 14 0.999 -5.018 9.668 1.00 0.00 C ATOM 178 CG LYS A 14 1.382 -6.196 10.565 1.00 0.00 C ATOM 179 CD LYS A 14 0.141 -6.835 11.191 1.00 0.00 C ATOM 180 CE LYS A 14 0.521 -7.735 12.369 1.00 0.00 C ATOM 181 NZ LYS A 14 -0.534 -8.743 12.613 1.00 0.00 N ATOM 0 H LYS A 14 0.252 -2.731 10.227 1.00 0.00 H new ATOM 0 HA LYS A 14 2.654 -4.155 10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.011 -4.686 9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.989 -5.338 8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.924 -6.941 9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.056 -5.855 11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.542 -6.056 11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.390 -7.419 10.439 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.468 -8.234 12.162 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.668 -7.130 13.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.260 -9.345 13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.430 -8.262 12.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.655 -9.332 11.764 1.00 0.00 H new ATOM 195 N MET A 15 2.217 -2.989 7.604 1.00 0.00 N ATOM 196 CA MET A 15 2.913 -2.674 6.369 1.00 0.00 C ATOM 197 C MET A 15 4.055 -1.688 6.619 1.00 0.00 C ATOM 198 O MET A 15 5.068 -1.716 5.922 1.00 0.00 O ATOM 199 CB MET A 15 1.927 -2.071 5.366 1.00 0.00 C ATOM 200 CG MET A 15 0.729 -2.998 5.149 1.00 0.00 C ATOM 201 SD MET A 15 -0.717 -2.039 4.732 1.00 0.00 S ATOM 202 CE MET A 15 -0.469 -1.852 2.974 1.00 0.00 C ATOM 0 H MET A 15 1.236 -2.712 7.623 1.00 0.00 H new ATOM 0 HA MET A 15 3.335 -3.595 5.967 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.581 -1.103 5.728 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.431 -1.895 4.416 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.948 -3.707 4.351 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.541 -3.581 6.051 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.764 -0.848 2.670 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.583 -2.009 2.736 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.075 -2.585 2.441 1.00 0.00 H new ATOM 212 N HIS A 16 3.853 -0.839 7.616 1.00 0.00 N ATOM 213 CA HIS A 16 4.854 0.155 7.967 1.00 0.00 C ATOM 214 C HIS A 16 6.149 -0.545 8.383 1.00 0.00 C ATOM 215 O HIS A 16 7.218 0.063 8.377 1.00 0.00 O ATOM 216 CB HIS A 16 4.322 1.106 9.041 1.00 0.00 C ATOM 217 CG HIS A 16 3.714 2.374 8.492 1.00 0.00 C ATOM 218 ND1 HIS A 16 4.355 3.170 7.558 1.00 0.00 N ATOM 219 CD2 HIS A 16 2.519 2.976 8.755 1.00 0.00 C ATOM 220 CE1 HIS A 16 3.572 4.201 7.279 1.00 0.00 C ATOM 221 NE2 HIS A 16 2.434 4.079 8.022 1.00 0.00 N ATOM 0 H HIS A 16 3.011 -0.819 8.192 1.00 0.00 H new ATOM 0 HA HIS A 16 5.079 0.772 7.097 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.572 0.584 9.635 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.137 1.368 9.715 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.769 2.616 9.443 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.795 4.998 6.585 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.648 4.729 8.015 1.00 0.00 H new ATOM 229 N ASP A 17 6.010 -1.815 8.734 1.00 0.00 N ATOM 230 CA ASP A 17 7.156 -2.605 9.152 1.00 0.00 C ATOM 231 C ASP A 17 7.764 -3.300 7.932 1.00 0.00 C ATOM 232 O ASP A 17 7.079 -3.526 6.936 1.00 0.00 O ATOM 233 CB ASP A 17 6.744 -3.685 10.154 1.00 0.00 C ATOM 234 CG ASP A 17 7.823 -4.074 11.166 1.00 0.00 C ATOM 235 OD1 ASP A 17 8.816 -4.695 10.727 1.00 0.00 O ATOM 236 OD2 ASP A 17 7.632 -3.743 12.356 1.00 0.00 O ATOM 0 H ASP A 17 5.122 -2.316 8.738 1.00 0.00 H new ATOM 0 HA ASP A 17 7.875 -1.933 9.620 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.865 -3.338 10.698 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.446 -4.577 9.602 1.00 0.00 H new ATOM 241 N THR A 18 9.045 -3.619 8.050 1.00 0.00 N ATOM 242 CA THR A 18 9.753 -4.283 6.969 1.00 0.00 C ATOM 243 C THR A 18 10.055 -5.735 7.342 1.00 0.00 C ATOM 244 O THR A 18 10.381 -6.547 6.478 1.00 0.00 O ATOM 245 CB THR A 18 11.006 -3.464 6.651 1.00 0.00 C ATOM 246 OG1 THR A 18 11.680 -4.232 5.658 1.00 0.00 O ATOM 247 CG2 THR A 18 11.991 -3.423 7.822 1.00 0.00 C ATOM 0 H THR A 18 9.610 -3.430 8.878 1.00 0.00 H new ATOM 0 HA THR A 18 9.142 -4.332 6.068 1.00 0.00 H new ATOM 0 HB THR A 18 10.717 -2.448 6.383 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.504 -3.773 5.393 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.862 -2.830 7.544 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.507 -2.973 8.689 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.306 -4.437 8.068 1.00 0.00 H new ATOM 255 N SER A 19 9.935 -6.019 8.631 1.00 0.00 N ATOM 256 CA SER A 19 10.191 -7.359 9.129 1.00 0.00 C ATOM 257 C SER A 19 8.990 -8.263 8.842 1.00 0.00 C ATOM 258 O SER A 19 9.056 -9.131 7.974 1.00 0.00 O ATOM 259 CB SER A 19 10.495 -7.341 10.629 1.00 0.00 C ATOM 260 OG SER A 19 11.843 -7.712 10.905 1.00 0.00 O ATOM 0 H SER A 19 9.664 -5.343 9.345 1.00 0.00 H new ATOM 0 HA SER A 19 11.066 -7.754 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.305 -6.344 11.025 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.819 -8.023 11.144 1.00 0.00 H new ATOM 0 HG SER A 19 11.998 -7.687 11.872 1.00 0.00 H new ATOM 266 N THR A 20 7.921 -8.027 9.589 1.00 0.00 N ATOM 267 CA THR A 20 6.707 -8.808 9.425 1.00 0.00 C ATOM 268 C THR A 20 5.756 -8.117 8.447 1.00 0.00 C ATOM 269 O THR A 20 4.770 -8.709 8.011 1.00 0.00 O ATOM 270 CB THR A 20 6.098 -9.030 10.811 1.00 0.00 C ATOM 271 OG1 THR A 20 5.832 -7.714 11.288 1.00 0.00 O ATOM 272 CG2 THR A 20 7.109 -9.592 11.812 1.00 0.00 C ATOM 0 H THR A 20 7.871 -7.306 10.309 1.00 0.00 H new ATOM 0 HA THR A 20 6.920 -9.783 8.987 1.00 0.00 H new ATOM 0 HB THR A 20 5.251 -9.711 10.730 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.434 -7.764 12.182 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.625 -9.731 12.779 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.483 -10.551 11.452 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.941 -8.896 11.919 1.00 0.00 H new ATOM 280 N GLY A 21 6.084 -6.873 8.130 1.00 0.00 N ATOM 281 CA GLY A 21 5.271 -6.094 7.212 1.00 0.00 C ATOM 282 C GLY A 21 5.564 -6.479 5.760 1.00 0.00 C ATOM 283 O GLY A 21 5.992 -7.599 5.485 1.00 0.00 O ATOM 0 H GLY A 21 6.903 -6.385 8.493 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.215 -6.255 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.468 -5.032 7.357 1.00 0.00 H new ATOM 287 N ILE A 22 5.321 -5.529 4.869 1.00 0.00 N ATOM 288 CA ILE A 22 5.553 -5.755 3.452 1.00 0.00 C ATOM 289 C ILE A 22 6.996 -5.379 3.110 1.00 0.00 C ATOM 290 O ILE A 22 7.760 -4.973 3.985 1.00 0.00 O ATOM 291 CB ILE A 22 4.509 -5.014 2.614 1.00 0.00 C ATOM 292 CG1 ILE A 22 4.345 -5.667 1.240 1.00 0.00 C ATOM 293 CG2 ILE A 22 4.849 -3.526 2.504 1.00 0.00 C ATOM 294 CD1 ILE A 22 2.876 -5.686 0.814 1.00 0.00 C ATOM 0 H ILE A 22 4.966 -4.601 5.101 1.00 0.00 H new ATOM 0 HA ILE A 22 5.432 -6.811 3.209 1.00 0.00 H new ATOM 0 HB ILE A 22 3.548 -5.088 3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.934 -5.123 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.732 -6.685 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.091 -3.023 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.875 -3.084 3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.824 -3.410 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.787 -6.155 -0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.294 -6.252 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.499 -4.665 0.763 1.00 0.00 H new ATOM 306 N ARG A 23 7.326 -5.526 1.835 1.00 0.00 N ATOM 307 CA ARG A 23 8.663 -5.208 1.367 1.00 0.00 C ATOM 308 C ARG A 23 8.620 -4.752 -0.093 1.00 0.00 C ATOM 309 O ARG A 23 8.688 -5.573 -1.006 1.00 0.00 O ATOM 310 CB ARG A 23 9.593 -6.417 1.488 1.00 0.00 C ATOM 311 CG ARG A 23 9.796 -6.807 2.954 1.00 0.00 C ATOM 312 CD ARG A 23 11.169 -7.448 3.165 1.00 0.00 C ATOM 313 NE ARG A 23 11.058 -8.921 3.085 1.00 0.00 N ATOM 314 CZ ARG A 23 12.103 -9.747 2.939 1.00 0.00 C ATOM 315 NH1 ARG A 23 13.344 -9.248 2.856 1.00 0.00 N ATOM 316 NH2 ARG A 23 11.908 -11.071 2.876 1.00 0.00 N ATOM 0 H ARG A 23 6.690 -5.861 1.112 1.00 0.00 H new ATOM 0 HA ARG A 23 9.049 -4.403 1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.174 -7.260 0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.556 -6.187 1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.702 -5.924 3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.015 -7.503 3.261 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.868 -7.086 2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.570 -7.158 4.136 1.00 0.00 H new ATOM 0 HE ARG A 23 10.127 -9.334 3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.493 -8.240 2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.140 -9.876 2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.964 -11.451 2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.704 -11.699 2.765 1.00 0.00 H new ATOM 330 N PRO A 24 8.504 -3.409 -0.273 1.00 0.00 N ATOM 331 CA PRO A 24 8.450 -2.833 -1.606 1.00 0.00 C ATOM 332 C PRO A 24 9.833 -2.836 -2.260 1.00 0.00 C ATOM 333 O PRO A 24 10.352 -1.783 -2.628 1.00 0.00 O ATOM 334 CB PRO A 24 7.889 -1.435 -1.409 1.00 0.00 C ATOM 335 CG PRO A 24 8.085 -1.111 0.063 1.00 0.00 C ATOM 336 CD PRO A 24 8.421 -2.406 0.785 1.00 0.00 C ATOM 0 HA PRO A 24 7.821 -3.407 -2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.408 -0.713 -2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.834 -1.396 -1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.887 -0.384 0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.182 -0.665 0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.363 -2.324 1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.654 -2.663 1.515 1.00 0.00 H new ATOM 344 N SER A 25 10.391 -4.032 -2.386 1.00 0.00 N ATOM 345 CA SER A 25 11.704 -4.185 -2.989 1.00 0.00 C ATOM 346 C SER A 25 11.671 -3.707 -4.442 1.00 0.00 C ATOM 347 O SER A 25 10.600 -3.576 -5.033 1.00 0.00 O ATOM 348 CB SER A 25 12.175 -5.639 -2.920 1.00 0.00 C ATOM 349 OG SER A 25 11.783 -6.383 -4.070 1.00 0.00 O ATOM 0 H SER A 25 9.958 -4.903 -2.081 1.00 0.00 H new ATOM 0 HA SER A 25 12.412 -3.575 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.261 -5.664 -2.825 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.766 -6.110 -2.027 1.00 0.00 H new ATOM 0 HG SER A 25 12.104 -7.305 -3.988 1.00 0.00 H new ATOM 355 N PRO A 26 12.889 -3.453 -4.992 1.00 0.00 N ATOM 356 CA PRO A 26 13.009 -2.992 -6.364 1.00 0.00 C ATOM 357 C PRO A 26 12.765 -4.137 -7.350 1.00 0.00 C ATOM 358 O PRO A 26 11.904 -4.036 -8.223 1.00 0.00 O ATOM 359 CB PRO A 26 14.411 -2.413 -6.463 1.00 0.00 C ATOM 360 CG PRO A 26 15.183 -2.986 -5.286 1.00 0.00 C ATOM 361 CD PRO A 26 14.178 -3.597 -4.323 1.00 0.00 C ATOM 0 HA PRO A 26 12.263 -2.241 -6.622 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.880 -2.686 -7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.388 -1.324 -6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 26 15.893 -3.740 -5.626 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.760 -2.205 -4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.406 -4.644 -4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 26 14.186 -3.081 -3.363 1.00 0.00 H new ATOM 369 N ASN A 27 13.539 -5.199 -7.178 1.00 0.00 N ATOM 370 CA ASN A 27 13.417 -6.361 -8.042 1.00 0.00 C ATOM 371 C ASN A 27 13.216 -5.898 -9.486 1.00 0.00 C ATOM 372 O ASN A 27 12.088 -5.849 -9.975 1.00 0.00 O ATOM 373 CB ASN A 27 12.212 -7.217 -7.647 1.00 0.00 C ATOM 374 CG ASN A 27 12.623 -8.330 -6.682 1.00 0.00 C ATOM 375 OD1 ASN A 27 13.649 -8.270 -6.024 1.00 0.00 O ATOM 376 ND2 ASN A 27 11.767 -9.347 -6.634 1.00 0.00 N ATOM 0 H ASN A 27 14.252 -5.279 -6.453 1.00 0.00 H new ATOM 0 HA ASN A 27 14.327 -6.953 -7.943 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.452 -6.589 -7.181 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.762 -7.652 -8.539 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.951 -10.140 -6.020 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.926 -9.334 -7.212 1.00 0.00 H new ATOM 383 N MET A 28 14.327 -5.571 -10.129 1.00 0.00 N ATOM 384 CA MET A 28 14.287 -5.114 -11.508 1.00 0.00 C ATOM 385 C MET A 28 13.251 -5.899 -12.316 1.00 0.00 C ATOM 386 O MET A 28 13.435 -7.086 -12.581 1.00 0.00 O ATOM 387 CB MET A 28 15.668 -5.286 -12.144 1.00 0.00 C ATOM 388 CG MET A 28 16.368 -3.936 -12.309 1.00 0.00 C ATOM 389 SD MET A 28 17.783 -4.109 -13.384 1.00 0.00 S ATOM 390 CE MET A 28 16.980 -3.995 -14.974 1.00 0.00 C ATOM 0 H MET A 28 15.261 -5.613 -9.721 1.00 0.00 H new ATOM 0 HA MET A 28 14.003 -4.062 -11.514 1.00 0.00 H new ATOM 0 HB2 MET A 28 16.278 -5.943 -11.524 1.00 0.00 H new ATOM 0 HB3 MET A 28 15.567 -5.768 -13.116 1.00 0.00 H new ATOM 0 HG2 MET A 28 15.673 -3.205 -12.723 1.00 0.00 H new ATOM 0 HG3 MET A 28 16.684 -3.560 -11.336 1.00 0.00 H new ATOM 0 HE1 MET A 28 17.273 -4.844 -15.591 1.00 0.00 H new ATOM 0 HE2 MET A 28 15.899 -4.002 -14.837 1.00 0.00 H new ATOM 0 HE3 MET A 28 17.277 -3.069 -15.466 1.00 0.00 H new ATOM 400 N GLU A 29 12.185 -5.204 -12.685 1.00 0.00 N ATOM 401 CA GLU A 29 11.120 -5.821 -13.457 1.00 0.00 C ATOM 402 C GLU A 29 11.358 -5.610 -14.953 1.00 0.00 C ATOM 403 O GLU A 29 10.839 -4.661 -15.541 1.00 0.00 O ATOM 404 CB GLU A 29 9.753 -5.277 -13.037 1.00 0.00 C ATOM 405 CG GLU A 29 8.669 -6.347 -13.180 1.00 0.00 C ATOM 406 CD GLU A 29 7.422 -5.778 -13.860 1.00 0.00 C ATOM 407 OE1 GLU A 29 6.997 -4.681 -13.438 1.00 0.00 O ATOM 408 OE2 GLU A 29 6.923 -6.453 -14.786 1.00 0.00 O ATOM 0 H GLU A 29 12.036 -4.220 -12.464 1.00 0.00 H new ATOM 0 HA GLU A 29 11.126 -6.892 -13.256 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.796 -4.934 -12.003 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.498 -4.412 -13.649 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.054 -7.184 -13.762 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.405 -6.736 -12.197 1.00 0.00 H new ATOM 415 N GLN A 30 12.144 -6.509 -15.528 1.00 0.00 N ATOM 416 CA GLN A 30 12.457 -6.433 -16.944 1.00 0.00 C ATOM 417 C GLN A 30 12.710 -4.981 -17.355 1.00 0.00 C ATOM 418 O GLN A 30 12.076 -4.474 -18.279 1.00 0.00 O ATOM 419 CB GLN A 30 11.341 -7.055 -17.787 1.00 0.00 C ATOM 420 CG GLN A 30 10.000 -6.372 -17.511 1.00 0.00 C ATOM 421 CD GLN A 30 8.943 -6.811 -18.526 1.00 0.00 C ATOM 422 OE1 GLN A 30 9.243 -7.306 -19.600 1.00 0.00 O ATOM 423 NE2 GLN A 30 7.691 -6.602 -18.127 1.00 0.00 N ATOM 0 H GLN A 30 12.573 -7.294 -15.038 1.00 0.00 H new ATOM 0 HA GLN A 30 13.367 -7.005 -17.126 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.587 -6.967 -18.845 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.263 -8.119 -17.566 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.665 -6.615 -16.503 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.123 -5.290 -17.554 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.510 -6.183 -17.215 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.913 -6.861 -18.733 1.00 0.00 H new ATOM 432 N GLY A 31 13.637 -4.353 -16.648 1.00 0.00 N ATOM 433 CA GLY A 31 13.982 -2.969 -16.928 1.00 0.00 C ATOM 434 C GLY A 31 13.063 -2.011 -16.167 1.00 0.00 C ATOM 435 O GLY A 31 12.084 -1.513 -16.722 1.00 0.00 O ATOM 0 H GLY A 31 14.160 -4.776 -15.882 1.00 0.00 H new ATOM 0 HA2 GLY A 31 15.019 -2.785 -16.647 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.904 -2.780 -17.999 1.00 0.00 H new ATOM 439 N SER A 32 13.410 -1.781 -14.910 1.00 0.00 N ATOM 440 CA SER A 32 12.629 -0.892 -14.068 1.00 0.00 C ATOM 441 C SER A 32 13.142 -0.949 -12.627 1.00 0.00 C ATOM 442 O SER A 32 13.999 -1.770 -12.302 1.00 0.00 O ATOM 443 CB SER A 32 11.143 -1.252 -14.116 1.00 0.00 C ATOM 444 OG SER A 32 10.459 -0.559 -15.157 1.00 0.00 O ATOM 0 H SER A 32 14.223 -2.195 -14.454 1.00 0.00 H new ATOM 0 HA SER A 32 12.742 0.124 -14.447 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.035 -2.326 -14.264 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.681 -1.014 -13.158 1.00 0.00 H new ATOM 0 HG SER A 32 10.699 -0.950 -16.023 1.00 0.00 H new ATOM 450 N THR A 33 12.596 -0.067 -11.803 1.00 0.00 N ATOM 451 CA THR A 33 12.989 -0.007 -10.405 1.00 0.00 C ATOM 452 C THR A 33 11.828 0.500 -9.547 1.00 0.00 C ATOM 453 O THR A 33 11.547 -0.055 -8.486 1.00 0.00 O ATOM 454 CB THR A 33 14.244 0.861 -10.303 1.00 0.00 C ATOM 455 OG1 THR A 33 15.307 -0.024 -10.645 1.00 0.00 O ATOM 456 CG2 THR A 33 14.553 1.277 -8.863 1.00 0.00 C ATOM 0 H THR A 33 11.885 0.612 -12.076 1.00 0.00 H new ATOM 0 HA THR A 33 13.230 -0.997 -10.019 1.00 0.00 H new ATOM 0 HB THR A 33 14.120 1.752 -10.919 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.951 -0.780 -11.157 1.00 0.00 H new ATOM 0 HG21 THR A 33 15.453 1.891 -8.847 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.716 1.849 -8.462 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.710 0.387 -8.253 1.00 0.00 H new ATOM 464 N TYR A 34 11.184 1.548 -10.039 1.00 0.00 N ATOM 465 CA TYR A 34 10.060 2.136 -9.330 1.00 0.00 C ATOM 466 C TYR A 34 10.427 2.439 -7.876 1.00 0.00 C ATOM 467 O TYR A 34 9.617 2.235 -6.972 1.00 0.00 O ATOM 468 CB TYR A 34 8.949 1.085 -9.355 1.00 0.00 C ATOM 469 CG TYR A 34 8.444 0.747 -10.760 1.00 0.00 C ATOM 470 CD1 TYR A 34 7.563 1.595 -11.399 1.00 0.00 C ATOM 471 CD2 TYR A 34 8.870 -0.407 -11.387 1.00 0.00 C ATOM 472 CE1 TYR A 34 7.088 1.276 -12.721 1.00 0.00 C ATOM 473 CE2 TYR A 34 8.395 -0.725 -12.708 1.00 0.00 C ATOM 474 CZ TYR A 34 7.528 0.132 -13.310 1.00 0.00 C ATOM 475 OH TYR A 34 7.079 -0.169 -14.558 1.00 0.00 O ATOM 0 H TYR A 34 11.419 2.005 -10.920 1.00 0.00 H new ATOM 0 HA TYR A 34 9.759 3.073 -9.798 1.00 0.00 H new ATOM 0 HB2 TYR A 34 9.314 0.173 -8.882 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.112 1.442 -8.755 1.00 0.00 H new ATOM 0 HD1 TYR A 34 7.230 2.497 -10.908 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.559 -1.071 -10.886 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.398 1.931 -13.233 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.720 -1.624 -13.210 1.00 0.00 H new ATOM 0 HH TYR A 34 7.477 -1.014 -14.854 1.00 0.00 H new ATOM 485 N LYS A 35 11.648 2.920 -7.694 1.00 0.00 N ATOM 486 CA LYS A 35 12.131 3.253 -6.365 1.00 0.00 C ATOM 487 C LYS A 35 11.667 2.183 -5.376 1.00 0.00 C ATOM 488 O LYS A 35 12.188 1.068 -5.371 1.00 0.00 O ATOM 489 CB LYS A 35 11.707 4.672 -5.980 1.00 0.00 C ATOM 490 CG LYS A 35 12.659 5.710 -6.578 1.00 0.00 C ATOM 491 CD LYS A 35 13.053 6.757 -5.534 1.00 0.00 C ATOM 492 CE LYS A 35 14.418 6.434 -4.922 1.00 0.00 C ATOM 493 NZ LYS A 35 15.052 7.662 -4.393 1.00 0.00 N ATOM 0 H LYS A 35 12.317 3.087 -8.445 1.00 0.00 H new ATOM 0 HA LYS A 35 13.221 3.255 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.692 4.860 -6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.693 4.769 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.553 5.214 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.182 6.199 -7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.082 7.744 -5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.298 6.795 -4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.301 5.704 -4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.063 5.980 -5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.977 7.425 -3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.182 8.346 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.443 8.079 -3.660 1.00 0.00 H new ATOM 507 N LYS A 36 10.692 2.558 -4.561 1.00 0.00 N ATOM 508 CA LYS A 36 10.151 1.644 -3.569 1.00 0.00 C ATOM 509 C LYS A 36 8.687 1.349 -3.898 1.00 0.00 C ATOM 510 O LYS A 36 7.801 2.133 -3.562 1.00 0.00 O ATOM 511 CB LYS A 36 10.365 2.197 -2.158 1.00 0.00 C ATOM 512 CG LYS A 36 11.342 1.323 -1.369 1.00 0.00 C ATOM 513 CD LYS A 36 11.236 1.599 0.132 1.00 0.00 C ATOM 514 CE LYS A 36 12.273 2.632 0.574 1.00 0.00 C ATOM 515 NZ LYS A 36 12.819 2.281 1.905 1.00 0.00 N ATOM 0 H LYS A 36 10.262 3.483 -4.567 1.00 0.00 H new ATOM 0 HA LYS A 36 10.682 0.693 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.749 3.216 -2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.410 2.246 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.134 0.271 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.361 1.514 -1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.235 1.959 0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.381 0.672 0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.081 2.680 -0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.817 3.621 0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.522 2.992 2.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.047 2.258 2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.272 1.346 1.859 1.00 0.00 H new ATOM 529 N THR A 37 8.477 0.215 -4.552 1.00 0.00 N ATOM 530 CA THR A 37 7.135 -0.194 -4.930 1.00 0.00 C ATOM 531 C THR A 37 6.978 -1.708 -4.784 1.00 0.00 C ATOM 532 O THR A 37 7.864 -2.468 -5.173 1.00 0.00 O ATOM 533 CB THR A 37 6.870 0.311 -6.350 1.00 0.00 C ATOM 534 OG1 THR A 37 8.101 0.089 -7.033 1.00 0.00 O ATOM 535 CG2 THR A 37 6.681 1.828 -6.406 1.00 0.00 C ATOM 0 H THR A 37 9.214 -0.433 -4.829 1.00 0.00 H new ATOM 0 HA THR A 37 6.387 0.243 -4.269 1.00 0.00 H new ATOM 0 HB THR A 37 5.983 -0.180 -6.750 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.703 0.846 -6.876 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.496 2.134 -7.436 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.831 2.112 -5.785 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.581 2.321 -6.037 1.00 0.00 H new ATOM 543 N PHE A 38 5.844 -2.102 -4.224 1.00 0.00 N ATOM 544 CA PHE A 38 5.560 -3.513 -4.022 1.00 0.00 C ATOM 545 C PHE A 38 4.510 -4.009 -5.019 1.00 0.00 C ATOM 546 O PHE A 38 3.453 -3.398 -5.168 1.00 0.00 O ATOM 547 CB PHE A 38 5.007 -3.659 -2.603 1.00 0.00 C ATOM 548 CG PHE A 38 3.731 -2.855 -2.346 1.00 0.00 C ATOM 549 CD1 PHE A 38 2.519 -3.379 -2.675 1.00 0.00 C ATOM 550 CD2 PHE A 38 3.808 -1.616 -1.790 1.00 0.00 C ATOM 551 CE1 PHE A 38 1.335 -2.633 -2.437 1.00 0.00 C ATOM 552 CE2 PHE A 38 2.623 -0.870 -1.552 1.00 0.00 C ATOM 553 CZ PHE A 38 1.412 -1.394 -1.880 1.00 0.00 C ATOM 0 H PHE A 38 5.111 -1.469 -3.904 1.00 0.00 H new ATOM 0 HA PHE A 38 6.467 -4.100 -4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.805 -4.713 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.771 -3.345 -1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.458 -4.362 -3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.770 -1.200 -1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.373 -3.049 -2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.684 0.114 -1.110 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.511 -0.827 -1.698 1.00 0.00 H new ATOM 563 N LEU A 39 4.839 -5.111 -5.676 1.00 0.00 N ATOM 564 CA LEU A 39 3.938 -5.696 -6.654 1.00 0.00 C ATOM 565 C LEU A 39 2.541 -5.820 -6.045 1.00 0.00 C ATOM 566 O LEU A 39 2.401 -6.082 -4.851 1.00 0.00 O ATOM 567 CB LEU A 39 4.501 -7.019 -7.177 1.00 0.00 C ATOM 568 CG LEU A 39 5.975 -7.007 -7.586 1.00 0.00 C ATOM 569 CD1 LEU A 39 6.357 -8.305 -8.299 1.00 0.00 C ATOM 570 CD2 LEU A 39 6.300 -5.773 -8.429 1.00 0.00 C ATOM 0 H LEU A 39 5.717 -5.614 -5.550 1.00 0.00 H new ATOM 0 HA LEU A 39 3.849 -5.047 -7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.365 -7.778 -6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.908 -7.328 -8.038 1.00 0.00 H new ATOM 0 HG LEU A 39 6.580 -6.947 -6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.410 -8.270 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.187 -9.150 -7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.747 -8.421 -9.195 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.354 -5.789 -8.706 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.687 -5.777 -9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.090 -4.872 -7.852 1.00 0.00 H new ATOM 582 N GLY A 40 1.541 -5.625 -6.892 1.00 0.00 N ATOM 583 CA GLY A 40 0.159 -5.712 -6.451 1.00 0.00 C ATOM 584 C GLY A 40 -0.134 -7.080 -5.831 1.00 0.00 C ATOM 585 O GLY A 40 -0.863 -7.175 -4.845 1.00 0.00 O ATOM 0 H GLY A 40 1.660 -5.407 -7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.044 -4.927 -5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.508 -5.542 -7.296 1.00 0.00 H new ATOM 589 N SER A 41 0.448 -8.105 -6.436 1.00 0.00 N ATOM 590 CA SER A 41 0.259 -9.463 -5.956 1.00 0.00 C ATOM 591 C SER A 41 0.897 -9.624 -4.575 1.00 0.00 C ATOM 592 O SER A 41 0.360 -10.321 -3.716 1.00 0.00 O ATOM 593 CB SER A 41 0.848 -10.481 -6.935 1.00 0.00 C ATOM 594 OG SER A 41 0.062 -11.667 -7.008 1.00 0.00 O ATOM 0 H SER A 41 1.051 -8.022 -7.255 1.00 0.00 H new ATOM 0 HA SER A 41 -0.812 -9.652 -5.879 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.920 -10.032 -7.926 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.862 -10.736 -6.627 1.00 0.00 H new ATOM 0 HG SER A 41 0.470 -12.291 -7.644 1.00 0.00 H new ATOM 600 N SER A 42 2.035 -8.966 -4.404 1.00 0.00 N ATOM 601 CA SER A 42 2.753 -9.027 -3.142 1.00 0.00 C ATOM 602 C SER A 42 1.836 -8.591 -1.997 1.00 0.00 C ATOM 603 O SER A 42 1.816 -9.218 -0.939 1.00 0.00 O ATOM 604 CB SER A 42 4.008 -8.154 -3.180 1.00 0.00 C ATOM 605 OG SER A 42 5.119 -8.789 -2.553 1.00 0.00 O ATOM 0 H SER A 42 2.477 -8.388 -5.119 1.00 0.00 H new ATOM 0 HA SER A 42 3.066 -10.058 -2.975 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.259 -7.924 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.805 -7.205 -2.683 1.00 0.00 H new ATOM 0 HG SER A 42 5.901 -8.200 -2.600 1.00 0.00 H new ATOM 611 N LEU A 43 1.100 -7.518 -2.248 1.00 0.00 N ATOM 612 CA LEU A 43 0.183 -6.990 -1.251 1.00 0.00 C ATOM 613 C LEU A 43 -0.924 -8.013 -0.990 1.00 0.00 C ATOM 614 O LEU A 43 -1.129 -8.436 0.147 1.00 0.00 O ATOM 615 CB LEU A 43 -0.337 -5.616 -1.676 1.00 0.00 C ATOM 616 CG LEU A 43 -1.415 -5.001 -0.781 1.00 0.00 C ATOM 617 CD1 LEU A 43 -1.081 -5.203 0.698 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.634 -3.525 -1.123 1.00 0.00 C ATOM 0 H LEU A 43 1.120 -7.000 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 43 0.700 -6.831 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.507 -4.928 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.735 -5.697 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.355 -5.519 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.863 -4.756 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.015 -6.269 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.127 -4.727 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.405 -3.111 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.704 -2.976 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.950 -3.435 -2.162 1.00 0.00 H new ATOM 630 N VAL A 44 -1.610 -8.382 -2.062 1.00 0.00 N ATOM 631 CA VAL A 44 -2.691 -9.347 -1.964 1.00 0.00 C ATOM 632 C VAL A 44 -2.223 -10.549 -1.141 1.00 0.00 C ATOM 633 O VAL A 44 -2.789 -10.844 -0.090 1.00 0.00 O ATOM 634 CB VAL A 44 -3.178 -9.733 -3.362 1.00 0.00 C ATOM 635 CG1 VAL A 44 -4.234 -10.838 -3.290 1.00 0.00 C ATOM 636 CG2 VAL A 44 -3.712 -8.511 -4.113 1.00 0.00 C ATOM 0 H VAL A 44 -1.438 -8.029 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.545 -8.911 -1.446 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.325 -10.122 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.563 -11.093 -4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.806 -11.720 -2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.087 -10.489 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.052 -8.813 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.546 -8.079 -3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.919 -7.769 -4.212 1.00 0.00 H new ATOM 646 N ASP A 45 -1.194 -11.210 -1.651 1.00 0.00 N ATOM 647 CA ASP A 45 -0.643 -12.373 -0.977 1.00 0.00 C ATOM 648 C ASP A 45 -0.326 -12.012 0.476 1.00 0.00 C ATOM 649 O ASP A 45 -0.609 -12.788 1.388 1.00 0.00 O ATOM 650 CB ASP A 45 0.654 -12.833 -1.644 1.00 0.00 C ATOM 651 CG ASP A 45 0.962 -14.325 -1.500 1.00 0.00 C ATOM 652 OD1 ASP A 45 -0.013 -15.094 -1.352 1.00 0.00 O ATOM 653 OD2 ASP A 45 2.164 -14.663 -1.540 1.00 0.00 O ATOM 0 H ASP A 45 -0.727 -10.962 -2.523 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.380 -13.175 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.606 -12.588 -2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.483 -12.264 -1.223 1.00 0.00 H new ATOM 658 N TRP A 46 0.257 -10.835 0.646 1.00 0.00 N ATOM 659 CA TRP A 46 0.616 -10.362 1.972 1.00 0.00 C ATOM 660 C TRP A 46 -0.663 -10.284 2.808 1.00 0.00 C ATOM 661 O TRP A 46 -0.838 -11.049 3.755 1.00 0.00 O ATOM 662 CB TRP A 46 1.362 -9.029 1.895 1.00 0.00 C ATOM 663 CG TRP A 46 1.838 -8.504 3.251 1.00 0.00 C ATOM 664 CD1 TRP A 46 2.982 -8.785 3.889 1.00 0.00 C ATOM 665 CD2 TRP A 46 1.132 -7.588 4.115 1.00 0.00 C ATOM 666 NE1 TRP A 46 3.065 -8.121 5.096 1.00 0.00 N ATOM 667 CE2 TRP A 46 1.904 -7.370 5.238 1.00 0.00 C ATOM 668 CE3 TRP A 46 -0.118 -6.965 3.953 1.00 0.00 C ATOM 669 CZ2 TRP A 46 1.512 -6.527 6.285 1.00 0.00 C ATOM 670 CZ3 TRP A 46 -0.495 -6.127 5.008 1.00 0.00 C ATOM 671 CH2 TRP A 46 0.270 -5.896 6.145 1.00 0.00 C ATOM 0 H TRP A 46 0.490 -10.194 -0.113 1.00 0.00 H new ATOM 0 HA TRP A 46 1.306 -11.054 2.455 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.224 -9.144 1.238 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.710 -8.285 1.437 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.744 -9.448 3.507 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.836 -8.172 5.761 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.738 -7.121 3.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.134 -6.372 7.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.448 -5.624 4.934 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.092 -5.233 6.917 1.00 0.00 H new ATOM 682 N LEU A 47 -1.525 -9.352 2.427 1.00 0.00 N ATOM 683 CA LEU A 47 -2.783 -9.164 3.130 1.00 0.00 C ATOM 684 C LEU A 47 -3.332 -10.527 3.557 1.00 0.00 C ATOM 685 O LEU A 47 -3.729 -10.707 4.708 1.00 0.00 O ATOM 686 CB LEU A 47 -3.757 -8.349 2.277 1.00 0.00 C ATOM 687 CG LEU A 47 -3.545 -6.833 2.280 1.00 0.00 C ATOM 688 CD1 LEU A 47 -4.194 -6.186 1.055 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.042 -6.213 3.587 1.00 0.00 C ATOM 0 H LEU A 47 -1.377 -8.719 1.641 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.628 -8.583 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.692 -8.703 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.770 -8.555 2.621 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.474 -6.637 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.029 -5.109 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.752 -6.599 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.265 -6.389 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.880 -5.135 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.106 -6.417 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.495 -6.644 4.425 1.00 0.00 H new ATOM 701 N ILE A 48 -3.337 -11.451 2.609 1.00 0.00 N ATOM 702 CA ILE A 48 -3.830 -12.792 2.872 1.00 0.00 C ATOM 703 C ILE A 48 -2.963 -13.448 3.949 1.00 0.00 C ATOM 704 O ILE A 48 -3.466 -13.846 4.999 1.00 0.00 O ATOM 705 CB ILE A 48 -3.913 -13.598 1.574 1.00 0.00 C ATOM 706 CG1 ILE A 48 -4.825 -12.908 0.558 1.00 0.00 C ATOM 707 CG2 ILE A 48 -4.348 -15.039 1.850 1.00 0.00 C ATOM 708 CD1 ILE A 48 -4.587 -13.454 -0.851 1.00 0.00 C ATOM 0 H ILE A 48 -3.007 -11.298 1.656 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.848 -12.753 3.261 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.917 -13.642 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.867 -13.058 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.643 -11.833 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.399 -15.590 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.626 -15.517 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.330 -15.038 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.248 -12.947 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.550 -13.281 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.794 -14.524 -0.866 1.00 0.00 H new ATOM 720 N SER A 49 -1.675 -13.539 3.652 1.00 0.00 N ATOM 721 CA SER A 49 -0.734 -14.140 4.581 1.00 0.00 C ATOM 722 C SER A 49 -0.846 -13.464 5.950 1.00 0.00 C ATOM 723 O SER A 49 -0.618 -14.098 6.979 1.00 0.00 O ATOM 724 CB SER A 49 0.700 -14.038 4.056 1.00 0.00 C ATOM 725 OG SER A 49 1.661 -14.327 5.067 1.00 0.00 O ATOM 0 H SER A 49 -1.261 -13.206 2.781 1.00 0.00 H new ATOM 0 HA SER A 49 -0.981 -15.197 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.831 -14.729 3.223 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.873 -13.034 3.668 1.00 0.00 H new ATOM 0 HG SER A 49 2.563 -14.253 4.692 1.00 0.00 H new ATOM 731 N SER A 50 -1.198 -12.187 5.917 1.00 0.00 N ATOM 732 CA SER A 50 -1.344 -11.420 7.142 1.00 0.00 C ATOM 733 C SER A 50 -2.624 -11.834 7.870 1.00 0.00 C ATOM 734 O SER A 50 -2.819 -11.490 9.034 1.00 0.00 O ATOM 735 CB SER A 50 -1.361 -9.918 6.851 1.00 0.00 C ATOM 736 OG SER A 50 -0.054 -9.407 6.601 1.00 0.00 O ATOM 0 H SER A 50 -1.386 -11.665 5.061 1.00 0.00 H new ATOM 0 HA SER A 50 -0.487 -11.630 7.782 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.997 -9.723 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.801 -9.390 7.697 1.00 0.00 H new ATOM 0 HG SER A 50 -0.077 -8.820 5.817 1.00 0.00 H new ATOM 742 N ASN A 51 -3.464 -12.567 7.153 1.00 0.00 N ATOM 743 CA ASN A 51 -4.720 -13.032 7.717 1.00 0.00 C ATOM 744 C ASN A 51 -5.756 -11.908 7.639 1.00 0.00 C ATOM 745 O ASN A 51 -6.749 -11.924 8.364 1.00 0.00 O ATOM 746 CB ASN A 51 -4.554 -13.421 9.187 1.00 0.00 C ATOM 747 CG ASN A 51 -5.666 -14.373 9.632 1.00 0.00 C ATOM 748 OD1 ASN A 51 -6.131 -15.217 8.884 1.00 0.00 O ATOM 749 ND2 ASN A 51 -6.065 -14.189 10.887 1.00 0.00 N ATOM 0 H ASN A 51 -3.299 -12.850 6.187 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.043 -13.904 7.148 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.584 -13.896 9.334 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.568 -12.525 9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.804 -14.774 11.278 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.632 -13.463 11.459 1.00 0.00 H new ATOM 756 N PHE A 52 -5.487 -10.960 6.753 1.00 0.00 N ATOM 757 CA PHE A 52 -6.384 -9.831 6.571 1.00 0.00 C ATOM 758 C PHE A 52 -7.430 -10.129 5.496 1.00 0.00 C ATOM 759 O PHE A 52 -8.503 -9.528 5.485 1.00 0.00 O ATOM 760 CB PHE A 52 -5.526 -8.648 6.118 1.00 0.00 C ATOM 761 CG PHE A 52 -4.584 -8.112 7.197 1.00 0.00 C ATOM 762 CD1 PHE A 52 -4.983 -8.088 8.497 1.00 0.00 C ATOM 763 CD2 PHE A 52 -3.348 -7.659 6.857 1.00 0.00 C ATOM 764 CE1 PHE A 52 -4.109 -7.591 9.500 1.00 0.00 C ATOM 765 CE2 PHE A 52 -2.473 -7.161 7.859 1.00 0.00 C ATOM 766 CZ PHE A 52 -2.872 -7.138 9.159 1.00 0.00 C ATOM 0 H PHE A 52 -4.662 -10.950 6.154 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.910 -9.620 7.502 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.936 -8.951 5.253 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.182 -7.842 5.790 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.965 -8.447 8.767 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.031 -7.678 5.825 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.426 -7.573 10.532 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.491 -6.801 7.589 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.207 -6.760 9.921 1.00 0.00 H new ATOM 776 N ALA A 53 -7.081 -11.057 4.617 1.00 0.00 N ATOM 777 CA ALA A 53 -7.977 -11.443 3.540 1.00 0.00 C ATOM 778 C ALA A 53 -8.070 -12.969 3.481 1.00 0.00 C ATOM 779 O ALA A 53 -7.185 -13.668 3.972 1.00 0.00 O ATOM 780 CB ALA A 53 -7.483 -10.838 2.224 1.00 0.00 C ATOM 0 H ALA A 53 -6.190 -11.553 4.629 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.981 -11.059 3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.155 -11.127 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.463 -9.751 2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.479 -11.204 2.010 1.00 0.00 H new ATOM 786 N ALA A 54 -9.150 -13.441 2.876 1.00 0.00 N ATOM 787 CA ALA A 54 -9.370 -14.871 2.747 1.00 0.00 C ATOM 788 C ALA A 54 -8.953 -15.323 1.346 1.00 0.00 C ATOM 789 O ALA A 54 -8.446 -16.430 1.172 1.00 0.00 O ATOM 790 CB ALA A 54 -10.835 -15.192 3.051 1.00 0.00 C ATOM 0 H ALA A 54 -9.882 -12.858 2.470 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.760 -15.419 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.000 -16.265 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.073 -14.879 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.477 -14.661 2.348 1.00 0.00 H new ATOM 796 N SER A 55 -9.183 -14.443 0.382 1.00 0.00 N ATOM 797 CA SER A 55 -8.837 -14.737 -0.998 1.00 0.00 C ATOM 798 C SER A 55 -8.296 -13.479 -1.681 1.00 0.00 C ATOM 799 O SER A 55 -8.545 -12.365 -1.225 1.00 0.00 O ATOM 800 CB SER A 55 -10.045 -15.279 -1.765 1.00 0.00 C ATOM 801 OG SER A 55 -9.656 -16.046 -2.901 1.00 0.00 O ATOM 0 H SER A 55 -9.605 -13.526 0.530 1.00 0.00 H new ATOM 0 HA SER A 55 -8.064 -15.506 -1.001 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.649 -15.897 -1.100 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.673 -14.448 -2.086 1.00 0.00 H new ATOM 0 HG SER A 55 -10.455 -16.375 -3.363 1.00 0.00 H new ATOM 807 N ARG A 56 -7.565 -13.701 -2.764 1.00 0.00 N ATOM 808 CA ARG A 56 -6.987 -12.600 -3.515 1.00 0.00 C ATOM 809 C ARG A 56 -7.965 -11.425 -3.572 1.00 0.00 C ATOM 810 O ARG A 56 -7.550 -10.267 -3.587 1.00 0.00 O ATOM 811 CB ARG A 56 -6.633 -13.030 -4.940 1.00 0.00 C ATOM 812 CG ARG A 56 -5.272 -13.727 -4.981 1.00 0.00 C ATOM 813 CD ARG A 56 -5.434 -15.239 -5.152 1.00 0.00 C ATOM 814 NE ARG A 56 -5.170 -15.925 -3.868 1.00 0.00 N ATOM 815 CZ ARG A 56 -5.196 -17.255 -3.708 1.00 0.00 C ATOM 816 NH1 ARG A 56 -5.474 -18.050 -4.750 1.00 0.00 N ATOM 817 NH2 ARG A 56 -4.943 -17.790 -2.505 1.00 0.00 N ATOM 0 H ARG A 56 -7.360 -14.627 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.075 -12.293 -3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.401 -13.702 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.619 -12.158 -5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.679 -13.326 -5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.725 -13.518 -4.062 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.443 -15.468 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.747 -15.603 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.955 -15.350 -3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.666 -17.643 -5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.494 -19.062 -4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.731 -17.185 -1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.963 -18.802 -2.383 1.00 0.00 H new ATOM 831 N LEU A 57 -9.246 -11.763 -3.603 1.00 0.00 N ATOM 832 CA LEU A 57 -10.286 -10.750 -3.659 1.00 0.00 C ATOM 833 C LEU A 57 -10.222 -9.890 -2.395 1.00 0.00 C ATOM 834 O LEU A 57 -9.859 -8.716 -2.457 1.00 0.00 O ATOM 835 CB LEU A 57 -11.652 -11.398 -3.893 1.00 0.00 C ATOM 836 CG LEU A 57 -12.599 -10.647 -4.832 1.00 0.00 C ATOM 837 CD1 LEU A 57 -13.287 -9.490 -4.106 1.00 0.00 C ATOM 838 CD2 LEU A 57 -11.865 -10.180 -6.090 1.00 0.00 C ATOM 0 H LEU A 57 -9.587 -12.724 -3.590 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.125 -10.084 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.493 -12.399 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.146 -11.516 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.381 -11.335 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.954 -8.973 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.863 -9.879 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.535 -8.793 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.560 -9.649 -6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.050 -9.513 -5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.462 -11.044 -6.618 1.00 0.00 H new ATOM 850 N GLU A 58 -10.580 -10.506 -1.279 1.00 0.00 N ATOM 851 CA GLU A 58 -10.568 -9.812 -0.003 1.00 0.00 C ATOM 852 C GLU A 58 -9.319 -8.934 0.112 1.00 0.00 C ATOM 853 O GLU A 58 -9.359 -7.869 0.726 1.00 0.00 O ATOM 854 CB GLU A 58 -10.651 -10.801 1.161 1.00 0.00 C ATOM 855 CG GLU A 58 -12.099 -11.226 1.417 1.00 0.00 C ATOM 856 CD GLU A 58 -12.163 -12.376 2.424 1.00 0.00 C ATOM 857 OE1 GLU A 58 -11.674 -12.168 3.555 1.00 0.00 O ATOM 858 OE2 GLU A 58 -12.699 -13.438 2.039 1.00 0.00 O ATOM 0 H GLU A 58 -10.881 -11.480 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.447 -9.169 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.044 -11.679 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.238 -10.345 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.670 -10.377 1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.563 -11.533 0.480 1.00 0.00 H new ATOM 865 N ALA A 59 -8.241 -9.414 -0.490 1.00 0.00 N ATOM 866 CA ALA A 59 -6.983 -8.687 -0.463 1.00 0.00 C ATOM 867 C ALA A 59 -7.028 -7.560 -1.498 1.00 0.00 C ATOM 868 O ALA A 59 -6.637 -6.431 -1.208 1.00 0.00 O ATOM 869 CB ALA A 59 -5.826 -9.658 -0.708 1.00 0.00 C ATOM 0 H ALA A 59 -8.213 -10.297 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.824 -8.231 0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.883 -9.112 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.821 -10.421 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.950 -10.133 -1.681 1.00 0.00 H new ATOM 875 N VAL A 60 -7.509 -7.908 -2.683 1.00 0.00 N ATOM 876 CA VAL A 60 -7.610 -6.940 -3.762 1.00 0.00 C ATOM 877 C VAL A 60 -8.366 -5.706 -3.265 1.00 0.00 C ATOM 878 O VAL A 60 -7.947 -4.576 -3.512 1.00 0.00 O ATOM 879 CB VAL A 60 -8.261 -7.587 -4.986 1.00 0.00 C ATOM 880 CG1 VAL A 60 -8.719 -6.526 -5.989 1.00 0.00 C ATOM 881 CG2 VAL A 60 -7.312 -8.591 -5.645 1.00 0.00 C ATOM 0 H VAL A 60 -7.833 -8.846 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.619 -6.610 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.143 -8.131 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.178 -7.013 -6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.446 -5.867 -5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.860 -5.942 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.799 -9.037 -6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.404 -8.079 -5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.057 -9.373 -4.930 1.00 0.00 H new ATOM 891 N THR A 61 -9.466 -5.964 -2.575 1.00 0.00 N ATOM 892 CA THR A 61 -10.284 -4.888 -2.041 1.00 0.00 C ATOM 893 C THR A 61 -9.554 -4.178 -0.900 1.00 0.00 C ATOM 894 O THR A 61 -9.538 -2.950 -0.837 1.00 0.00 O ATOM 895 CB THR A 61 -11.632 -5.481 -1.624 1.00 0.00 C ATOM 896 OG1 THR A 61 -12.514 -5.118 -2.683 1.00 0.00 O ATOM 897 CG2 THR A 61 -12.221 -4.787 -0.394 1.00 0.00 C ATOM 0 H THR A 61 -9.811 -6.902 -2.373 1.00 0.00 H new ATOM 0 HA THR A 61 -10.468 -4.121 -2.793 1.00 0.00 H new ATOM 0 HB THR A 61 -11.513 -6.545 -1.418 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.411 -5.464 -2.495 1.00 0.00 H new ATOM 0 HG21 THR A 61 -13.177 -5.246 -0.140 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.534 -4.891 0.446 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.372 -3.729 -0.610 1.00 0.00 H new ATOM 905 N LEU A 62 -8.967 -4.982 -0.025 1.00 0.00 N ATOM 906 CA LEU A 62 -8.236 -4.446 1.111 1.00 0.00 C ATOM 907 C LEU A 62 -7.184 -3.453 0.612 1.00 0.00 C ATOM 908 O LEU A 62 -6.986 -2.399 1.214 1.00 0.00 O ATOM 909 CB LEU A 62 -7.658 -5.580 1.960 1.00 0.00 C ATOM 910 CG LEU A 62 -8.418 -5.909 3.246 1.00 0.00 C ATOM 911 CD1 LEU A 62 -8.903 -7.360 3.240 1.00 0.00 C ATOM 912 CD2 LEU A 62 -7.571 -5.593 4.480 1.00 0.00 C ATOM 0 H LEU A 62 -8.983 -6.000 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.907 -3.896 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.614 -6.480 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.632 -5.323 2.223 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.303 -5.274 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.440 -7.568 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.568 -7.518 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.047 -8.030 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.135 -5.836 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.656 -6.184 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.318 -4.533 4.486 1.00 0.00 H new ATOM 924 N ALA A 63 -6.537 -3.825 -0.482 1.00 0.00 N ATOM 925 CA ALA A 63 -5.510 -2.980 -1.068 1.00 0.00 C ATOM 926 C ALA A 63 -6.141 -1.668 -1.536 1.00 0.00 C ATOM 927 O ALA A 63 -5.740 -0.591 -1.097 1.00 0.00 O ATOM 928 CB ALA A 63 -4.818 -3.733 -2.207 1.00 0.00 C ATOM 0 H ALA A 63 -6.704 -4.700 -0.978 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.748 -2.734 -0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.048 -3.100 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.361 -4.642 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.552 -3.994 -2.969 1.00 0.00 H new ATOM 934 N SER A 64 -7.119 -1.800 -2.421 1.00 0.00 N ATOM 935 CA SER A 64 -7.810 -0.638 -2.953 1.00 0.00 C ATOM 936 C SER A 64 -8.318 0.239 -1.806 1.00 0.00 C ATOM 937 O SER A 64 -8.314 1.465 -1.909 1.00 0.00 O ATOM 938 CB SER A 64 -8.971 -1.054 -3.858 1.00 0.00 C ATOM 939 OG SER A 64 -10.157 -1.323 -3.116 1.00 0.00 O ATOM 0 H SER A 64 -7.449 -2.695 -2.783 1.00 0.00 H new ATOM 0 HA SER A 64 -7.104 -0.065 -3.554 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.168 -0.263 -4.582 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.689 -1.941 -4.425 1.00 0.00 H new ATOM 0 HG SER A 64 -9.949 -1.932 -2.377 1.00 0.00 H new ATOM 945 N MET A 65 -8.743 -0.424 -0.741 1.00 0.00 N ATOM 946 CA MET A 65 -9.254 0.280 0.423 1.00 0.00 C ATOM 947 C MET A 65 -8.189 1.205 1.016 1.00 0.00 C ATOM 948 O MET A 65 -8.434 2.394 1.212 1.00 0.00 O ATOM 949 CB MET A 65 -9.694 -0.735 1.481 1.00 0.00 C ATOM 950 CG MET A 65 -11.095 -1.270 1.177 1.00 0.00 C ATOM 951 SD MET A 65 -12.095 -1.236 2.655 1.00 0.00 S ATOM 952 CE MET A 65 -11.380 -2.607 3.545 1.00 0.00 C ATOM 0 H MET A 65 -8.744 -1.441 -0.659 1.00 0.00 H new ATOM 0 HA MET A 65 -10.104 0.887 0.112 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.984 -1.562 1.515 1.00 0.00 H new ATOM 0 HB3 MET A 65 -9.685 -0.267 2.465 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.562 -0.668 0.398 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.029 -2.289 0.796 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.973 -3.504 3.368 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.360 -2.773 3.199 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.370 -2.383 4.612 1.00 0.00 H new ATOM 962 N LEU A 66 -7.028 0.624 1.284 1.00 0.00 N ATOM 963 CA LEU A 66 -5.925 1.381 1.849 1.00 0.00 C ATOM 964 C LEU A 66 -5.709 2.652 1.026 1.00 0.00 C ATOM 965 O LEU A 66 -5.563 3.740 1.582 1.00 0.00 O ATOM 966 CB LEU A 66 -4.677 0.504 1.965 1.00 0.00 C ATOM 967 CG LEU A 66 -4.829 -0.773 2.793 1.00 0.00 C ATOM 968 CD1 LEU A 66 -3.812 -1.832 2.360 1.00 0.00 C ATOM 969 CD2 LEU A 66 -4.739 -0.470 4.290 1.00 0.00 C ATOM 0 H LEU A 66 -6.828 -0.363 1.120 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.161 1.696 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.358 0.226 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.876 1.102 2.400 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.821 -1.184 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.942 -2.730 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.967 -2.077 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.802 -1.445 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.850 -1.395 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.770 -0.022 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.532 0.224 4.569 1.00 0.00 H new ATOM 981 N MET A 67 -5.696 2.473 -0.287 1.00 0.00 N ATOM 982 CA MET A 67 -5.501 3.593 -1.193 1.00 0.00 C ATOM 983 C MET A 67 -6.534 4.692 -0.937 1.00 0.00 C ATOM 984 O MET A 67 -6.203 5.876 -0.955 1.00 0.00 O ATOM 985 CB MET A 67 -5.620 3.106 -2.639 1.00 0.00 C ATOM 986 CG MET A 67 -4.302 2.498 -3.123 1.00 0.00 C ATOM 987 SD MET A 67 -4.102 2.789 -4.873 1.00 0.00 S ATOM 988 CE MET A 67 -5.585 2.009 -5.488 1.00 0.00 C ATOM 0 H MET A 67 -5.817 1.570 -0.745 1.00 0.00 H new ATOM 0 HA MET A 67 -4.508 4.008 -1.020 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.415 2.364 -2.712 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.900 3.938 -3.285 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.467 2.936 -2.575 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.290 1.427 -2.920 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.341 1.397 -6.356 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.015 1.379 -4.709 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.306 2.774 -5.775 1.00 0.00 H new ATOM 998 N GLU A 68 -7.765 4.260 -0.705 1.00 0.00 N ATOM 999 CA GLU A 68 -8.849 5.193 -0.446 1.00 0.00 C ATOM 1000 C GLU A 68 -8.501 6.094 0.741 1.00 0.00 C ATOM 1001 O GLU A 68 -8.518 7.318 0.621 1.00 0.00 O ATOM 1002 CB GLU A 68 -10.165 4.451 -0.205 1.00 0.00 C ATOM 1003 CG GLU A 68 -11.217 4.851 -1.241 1.00 0.00 C ATOM 1004 CD GLU A 68 -12.299 5.732 -0.612 1.00 0.00 C ATOM 1005 OE1 GLU A 68 -11.913 6.676 0.111 1.00 0.00 O ATOM 1006 OE2 GLU A 68 -13.487 5.441 -0.868 1.00 0.00 O ATOM 0 H GLU A 68 -8.036 3.277 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.981 5.821 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.994 3.375 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.533 4.672 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.739 5.386 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.673 3.957 -1.666 1.00 0.00 H new ATOM 1013 N GLU A 69 -8.194 5.453 1.859 1.00 0.00 N ATOM 1014 CA GLU A 69 -7.843 6.181 3.066 1.00 0.00 C ATOM 1015 C GLU A 69 -6.631 7.079 2.811 1.00 0.00 C ATOM 1016 O GLU A 69 -6.338 7.973 3.604 1.00 0.00 O ATOM 1017 CB GLU A 69 -7.579 5.221 4.228 1.00 0.00 C ATOM 1018 CG GLU A 69 -8.859 4.489 4.636 1.00 0.00 C ATOM 1019 CD GLU A 69 -9.092 3.260 3.754 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -8.111 2.510 3.556 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -10.244 3.098 3.299 1.00 0.00 O ATOM 0 H GLU A 69 -8.181 4.438 1.954 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.687 6.813 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.817 4.496 3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.185 5.775 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.791 4.184 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.710 5.165 4.556 1.00 0.00 H new ATOM 1028 N ASN A 70 -5.958 6.810 1.702 1.00 0.00 N ATOM 1029 CA ASN A 70 -4.784 7.583 1.332 1.00 0.00 C ATOM 1030 C ASN A 70 -3.543 6.953 1.969 1.00 0.00 C ATOM 1031 O ASN A 70 -2.651 7.662 2.431 1.00 0.00 O ATOM 1032 CB ASN A 70 -4.893 9.024 1.834 1.00 0.00 C ATOM 1033 CG ASN A 70 -4.150 9.986 0.905 1.00 0.00 C ATOM 1034 OD1 ASN A 70 -4.732 10.652 0.065 1.00 0.00 O ATOM 1035 ND2 ASN A 70 -2.835 10.021 1.101 1.00 0.00 N ATOM 0 H ASN A 70 -6.203 6.067 1.047 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.710 7.585 0.245 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.942 9.312 1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.481 9.094 2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.250 10.632 0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.411 9.437 1.822 1.00 0.00 H new ATOM 1042 N PHE A 71 -3.527 5.628 1.972 1.00 0.00 N ATOM 1043 CA PHE A 71 -2.410 4.895 2.544 1.00 0.00 C ATOM 1044 C PHE A 71 -1.461 4.401 1.450 1.00 0.00 C ATOM 1045 O PHE A 71 -0.295 4.114 1.718 1.00 0.00 O ATOM 1046 CB PHE A 71 -2.997 3.688 3.278 1.00 0.00 C ATOM 1047 CG PHE A 71 -3.678 4.036 4.603 1.00 0.00 C ATOM 1048 CD1 PHE A 71 -3.023 4.788 5.527 1.00 0.00 C ATOM 1049 CD2 PHE A 71 -4.938 3.593 4.857 1.00 0.00 C ATOM 1050 CE1 PHE A 71 -3.655 5.111 6.757 1.00 0.00 C ATOM 1051 CE2 PHE A 71 -5.570 3.916 6.087 1.00 0.00 C ATOM 1052 CZ PHE A 71 -4.915 4.668 7.011 1.00 0.00 C ATOM 0 H PHE A 71 -4.269 5.043 1.588 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.843 5.542 3.214 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.721 3.197 2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.200 2.969 3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.022 5.140 5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.458 2.995 4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.135 5.709 7.491 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.571 3.564 6.288 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.395 4.913 7.947 1.00 0.00 H new ATOM 1062 N LEU A 72 -1.996 4.316 0.241 1.00 0.00 N ATOM 1063 CA LEU A 72 -1.211 3.861 -0.894 1.00 0.00 C ATOM 1064 C LEU A 72 -1.754 4.502 -2.173 1.00 0.00 C ATOM 1065 O LEU A 72 -2.775 5.187 -2.144 1.00 0.00 O ATOM 1066 CB LEU A 72 -1.174 2.332 -0.941 1.00 0.00 C ATOM 1067 CG LEU A 72 -2.251 1.609 -0.129 1.00 0.00 C ATOM 1068 CD1 LEU A 72 -2.928 0.521 -0.964 1.00 0.00 C ATOM 1069 CD2 LEU A 72 -1.675 1.056 1.176 1.00 0.00 C ATOM 0 H LEU A 72 -2.963 4.554 0.023 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.174 4.179 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.260 2.018 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.197 2.001 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.020 2.333 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.689 0.022 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.394 0.972 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.184 -0.208 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.461 0.547 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.875 0.351 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.278 1.876 1.775 1.00 0.00 H new ATOM 1081 N ARG A 73 -1.045 4.258 -3.266 1.00 0.00 N ATOM 1082 CA ARG A 73 -1.442 4.803 -4.553 1.00 0.00 C ATOM 1083 C ARG A 73 -0.941 3.906 -5.686 1.00 0.00 C ATOM 1084 O ARG A 73 0.020 3.159 -5.512 1.00 0.00 O ATOM 1085 CB ARG A 73 -0.889 6.216 -4.746 1.00 0.00 C ATOM 1086 CG ARG A 73 0.613 6.262 -4.459 1.00 0.00 C ATOM 1087 CD ARG A 73 0.882 6.725 -3.026 1.00 0.00 C ATOM 1088 NE ARG A 73 2.188 7.419 -2.955 1.00 0.00 N ATOM 1089 CZ ARG A 73 2.453 8.584 -3.562 1.00 0.00 C ATOM 1090 NH1 ARG A 73 1.505 9.192 -4.288 1.00 0.00 N ATOM 1091 NH2 ARG A 73 3.666 9.140 -3.443 1.00 0.00 N ATOM 0 H ARG A 73 -0.198 3.690 -3.286 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.531 4.846 -4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.078 6.548 -5.767 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.410 6.908 -4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.047 5.274 -4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.101 6.938 -5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.087 7.394 -2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.879 5.869 -2.352 1.00 0.00 H new ATOM 0 HE ARG A 73 2.932 6.983 -2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.582 8.768 -4.379 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.707 10.079 -4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.387 8.677 -2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.868 10.027 -3.905 1.00 0.00 H new ATOM 1105 N PRO A 74 -1.632 4.014 -6.853 1.00 0.00 N ATOM 1106 CA PRO A 74 -1.266 3.222 -8.015 1.00 0.00 C ATOM 1107 C PRO A 74 0.001 3.769 -8.675 1.00 0.00 C ATOM 1108 O PRO A 74 0.036 4.924 -9.098 1.00 0.00 O ATOM 1109 CB PRO A 74 -2.481 3.276 -8.926 1.00 0.00 C ATOM 1110 CG PRO A 74 -3.300 4.469 -8.459 1.00 0.00 C ATOM 1111 CD PRO A 74 -2.775 4.889 -7.095 1.00 0.00 C ATOM 0 HA PRO A 74 -1.021 2.191 -7.761 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.183 3.391 -9.968 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.060 2.355 -8.860 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.217 5.291 -9.170 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.356 4.207 -8.397 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.479 5.938 -7.090 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.536 4.769 -6.324 1.00 0.00 H new ATOM 1119 N VAL A 75 1.011 2.915 -8.743 1.00 0.00 N ATOM 1120 CA VAL A 75 2.277 3.298 -9.345 1.00 0.00 C ATOM 1121 C VAL A 75 2.258 2.942 -10.832 1.00 0.00 C ATOM 1122 O VAL A 75 1.824 1.855 -11.209 1.00 0.00 O ATOM 1123 CB VAL A 75 3.435 2.644 -8.588 1.00 0.00 C ATOM 1124 CG1 VAL A 75 4.741 2.765 -9.375 1.00 0.00 C ATOM 1125 CG2 VAL A 75 3.581 3.241 -7.187 1.00 0.00 C ATOM 0 H VAL A 75 0.979 1.958 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 75 2.425 4.375 -9.271 1.00 0.00 H new ATOM 0 HB VAL A 75 3.207 1.584 -8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.548 2.292 -8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.631 2.271 -10.340 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.976 3.818 -9.531 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.411 2.759 -6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.775 4.311 -7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.661 3.080 -6.625 1.00 0.00 H new ATOM 1135 N GLY A 76 2.735 3.880 -11.638 1.00 0.00 N ATOM 1136 CA GLY A 76 2.778 3.679 -13.077 1.00 0.00 C ATOM 1137 C GLY A 76 1.490 3.023 -13.578 1.00 0.00 C ATOM 1138 O GLY A 76 0.440 3.148 -12.950 1.00 0.00 O ATOM 0 H GLY A 76 3.095 4.781 -11.322 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.921 4.637 -13.577 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.633 3.054 -13.335 1.00 0.00 H new ATOM 1142 N VAL A 77 1.613 2.337 -14.705 1.00 0.00 N ATOM 1143 CA VAL A 77 0.472 1.660 -15.297 1.00 0.00 C ATOM 1144 C VAL A 77 0.155 0.401 -14.488 1.00 0.00 C ATOM 1145 O VAL A 77 0.876 0.062 -13.552 1.00 0.00 O ATOM 1146 CB VAL A 77 0.745 1.369 -16.774 1.00 0.00 C ATOM 1147 CG1 VAL A 77 1.164 2.641 -17.515 1.00 0.00 C ATOM 1148 CG2 VAL A 77 1.799 0.271 -16.931 1.00 0.00 C ATOM 0 H VAL A 77 2.485 2.236 -15.224 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.411 2.299 -15.263 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.182 1.010 -17.222 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.352 2.406 -18.563 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.367 3.381 -17.446 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.072 3.042 -17.064 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.974 0.084 -17.990 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.729 0.589 -16.460 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.446 -0.643 -16.454 1.00 0.00 H new ATOM 1158 N ARG A 78 -0.926 -0.259 -14.880 1.00 0.00 N ATOM 1159 CA ARG A 78 -1.347 -1.474 -14.203 1.00 0.00 C ATOM 1160 C ARG A 78 -1.749 -1.165 -12.760 1.00 0.00 C ATOM 1161 O ARG A 78 -1.575 -1.997 -11.871 1.00 0.00 O ATOM 1162 CB ARG A 78 -0.230 -2.519 -14.202 1.00 0.00 C ATOM 1163 CG ARG A 78 0.068 -3.005 -15.621 1.00 0.00 C ATOM 1164 CD ARG A 78 -0.983 -4.015 -16.088 1.00 0.00 C ATOM 1165 NE ARG A 78 -1.761 -3.452 -17.214 1.00 0.00 N ATOM 1166 CZ ARG A 78 -1.279 -3.290 -18.453 1.00 0.00 C ATOM 1167 NH1 ARG A 78 -0.018 -3.648 -18.734 1.00 0.00 N ATOM 1168 NH2 ARG A 78 -2.057 -2.771 -19.413 1.00 0.00 N ATOM 0 H ARG A 78 -1.522 0.025 -15.657 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.204 -1.876 -14.744 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.672 -2.092 -13.763 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.519 -3.364 -13.577 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.089 -2.155 -16.303 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.057 -3.463 -15.652 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.498 -4.941 -16.397 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.650 -4.265 -15.263 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.725 -3.170 -17.035 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.574 -4.044 -18.004 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.349 -3.525 -19.678 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.017 -2.499 -19.200 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.689 -2.648 -20.356 1.00 0.00 H new ATOM 1182 N SER A 79 -2.281 0.034 -12.571 1.00 0.00 N ATOM 1183 CA SER A 79 -2.709 0.463 -11.250 1.00 0.00 C ATOM 1184 C SER A 79 -3.341 1.854 -11.332 1.00 0.00 C ATOM 1185 O SER A 79 -4.359 2.115 -10.693 1.00 0.00 O ATOM 1186 CB SER A 79 -1.538 0.470 -10.266 1.00 0.00 C ATOM 1187 OG SER A 79 -0.462 1.286 -10.722 1.00 0.00 O ATOM 0 H SER A 79 -2.425 0.722 -13.310 1.00 0.00 H new ATOM 0 HA SER A 79 -3.451 -0.246 -10.884 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.881 0.831 -9.297 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.182 -0.550 -10.118 1.00 0.00 H new ATOM 0 HG SER A 79 0.380 0.791 -10.644 1.00 0.00 H new ATOM 1193 N MET A 80 -2.712 2.710 -12.123 1.00 0.00 N ATOM 1194 CA MET A 80 -3.201 4.067 -12.297 1.00 0.00 C ATOM 1195 C MET A 80 -4.299 4.123 -13.360 1.00 0.00 C ATOM 1196 O MET A 80 -4.297 5.009 -14.214 1.00 0.00 O ATOM 1197 CB MET A 80 -2.043 4.978 -12.710 1.00 0.00 C ATOM 1198 CG MET A 80 -1.310 5.524 -11.483 1.00 0.00 C ATOM 1199 SD MET A 80 -1.182 7.302 -11.589 1.00 0.00 S ATOM 1200 CE MET A 80 -1.003 7.704 -9.860 1.00 0.00 C ATOM 0 H MET A 80 -1.867 2.490 -12.651 1.00 0.00 H new ATOM 0 HA MET A 80 -3.622 4.405 -11.350 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.345 4.423 -13.338 1.00 0.00 H new ATOM 0 HB3 MET A 80 -2.423 5.806 -13.309 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.844 5.243 -10.575 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.315 5.083 -11.417 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.176 8.770 -9.715 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.728 7.136 -9.277 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.005 7.452 -9.530 1.00 0.00 H new ATOM 1210 N GLY A 81 -5.211 3.166 -13.274 1.00 0.00 N ATOM 1211 CA GLY A 81 -6.313 3.095 -14.219 1.00 0.00 C ATOM 1212 C GLY A 81 -7.283 4.261 -14.017 1.00 0.00 C ATOM 1213 O GLY A 81 -7.038 5.367 -14.496 1.00 0.00 O ATOM 0 H GLY A 81 -5.210 2.433 -12.565 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.925 3.112 -15.238 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.843 2.151 -14.095 1.00 0.00 H new ATOM 1217 N ALA A 82 -8.365 3.973 -13.309 1.00 0.00 N ATOM 1218 CA ALA A 82 -9.374 4.983 -13.038 1.00 0.00 C ATOM 1219 C ALA A 82 -9.130 5.583 -11.652 1.00 0.00 C ATOM 1220 O ALA A 82 -9.368 6.770 -11.435 1.00 0.00 O ATOM 1221 CB ALA A 82 -10.766 4.362 -13.168 1.00 0.00 C ATOM 0 H ALA A 82 -8.565 3.054 -12.914 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.310 5.794 -13.764 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.523 5.120 -12.965 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.900 3.977 -14.179 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.868 3.546 -12.453 1.00 0.00 H new ATOM 1227 N ILE A 83 -8.657 4.735 -10.750 1.00 0.00 N ATOM 1228 CA ILE A 83 -8.379 5.166 -9.391 1.00 0.00 C ATOM 1229 C ILE A 83 -9.664 5.700 -8.756 1.00 0.00 C ATOM 1230 O ILE A 83 -10.474 6.338 -9.428 1.00 0.00 O ATOM 1231 CB ILE A 83 -7.222 6.168 -9.373 1.00 0.00 C ATOM 1232 CG1 ILE A 83 -5.930 5.522 -9.877 1.00 0.00 C ATOM 1233 CG2 ILE A 83 -7.051 6.783 -7.983 1.00 0.00 C ATOM 1234 CD1 ILE A 83 -5.664 5.894 -11.337 1.00 0.00 C ATOM 0 H ILE A 83 -8.459 3.751 -10.934 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.050 4.322 -8.784 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.464 6.981 -10.057 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.093 5.844 -9.258 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.000 4.438 -9.781 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.222 7.491 -7.998 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -7.967 7.302 -7.700 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.842 5.995 -7.260 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.740 5.422 -11.670 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.492 5.549 -11.957 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.571 6.976 -11.425 1.00 0.00 H new ATOM 1246 N ARG A 84 -9.812 5.420 -7.470 1.00 0.00 N ATOM 1247 CA ARG A 84 -10.985 5.864 -6.737 1.00 0.00 C ATOM 1248 C ARG A 84 -11.317 7.314 -7.095 1.00 0.00 C ATOM 1249 O ARG A 84 -12.470 7.732 -7.000 1.00 0.00 O ATOM 1250 CB ARG A 84 -10.764 5.757 -5.227 1.00 0.00 C ATOM 1251 CG ARG A 84 -9.552 6.582 -4.790 1.00 0.00 C ATOM 1252 CD ARG A 84 -9.922 7.544 -3.659 1.00 0.00 C ATOM 1253 NE ARG A 84 -9.050 8.739 -3.706 1.00 0.00 N ATOM 1254 CZ ARG A 84 -9.003 9.672 -2.746 1.00 0.00 C ATOM 1255 NH1 ARG A 84 -9.777 9.555 -1.658 1.00 0.00 N ATOM 1256 NH2 ARG A 84 -8.182 10.723 -2.873 1.00 0.00 N ATOM 0 H ARG A 84 -9.138 4.891 -6.916 1.00 0.00 H new ATOM 0 HA ARG A 84 -11.816 5.217 -7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -11.653 6.104 -4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.616 4.713 -4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.755 5.916 -4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.166 7.145 -5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.966 7.842 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.817 7.044 -2.696 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.447 8.860 -4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.402 8.755 -1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.741 10.266 -0.927 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.593 10.813 -3.701 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.146 11.433 -2.142 1.00 0.00 H new ATOM 1270 N SER A 85 -10.286 8.041 -7.499 1.00 0.00 N ATOM 1271 CA SER A 85 -10.454 9.436 -7.872 1.00 0.00 C ATOM 1272 C SER A 85 -11.485 10.101 -6.959 1.00 0.00 C ATOM 1273 O SER A 85 -12.213 10.995 -7.387 1.00 0.00 O ATOM 1274 CB SER A 85 -10.878 9.567 -9.337 1.00 0.00 C ATOM 1275 OG SER A 85 -10.469 10.809 -9.902 1.00 0.00 O ATOM 0 H SER A 85 -9.331 7.691 -7.576 1.00 0.00 H new ATOM 0 HA SER A 85 -9.495 9.940 -7.753 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.448 8.748 -9.913 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.962 9.475 -9.410 1.00 0.00 H new ATOM 0 HG SER A 85 -10.757 10.853 -10.838 1.00 0.00 H new ATOM 1281 N GLY A 86 -11.515 9.639 -5.718 1.00 0.00 N ATOM 1282 CA GLY A 86 -12.445 10.178 -4.741 1.00 0.00 C ATOM 1283 C GLY A 86 -13.769 9.411 -4.762 1.00 0.00 C ATOM 1284 O GLY A 86 -14.828 9.999 -4.973 1.00 0.00 O ATOM 0 H GLY A 86 -10.910 8.897 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.005 10.123 -3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.628 11.232 -4.951 1.00 0.00 H new ATOM 1288 N ASP A 87 -13.665 8.109 -4.541 1.00 0.00 N ATOM 1289 CA ASP A 87 -14.840 7.255 -4.532 1.00 0.00 C ATOM 1290 C ASP A 87 -14.521 5.962 -3.778 1.00 0.00 C ATOM 1291 O ASP A 87 -13.431 5.814 -3.228 1.00 0.00 O ATOM 1292 CB ASP A 87 -15.260 6.881 -5.955 1.00 0.00 C ATOM 1293 CG ASP A 87 -16.771 6.824 -6.189 1.00 0.00 C ATOM 1294 OD1 ASP A 87 -17.480 7.597 -5.509 1.00 0.00 O ATOM 1295 OD2 ASP A 87 -17.183 6.010 -7.044 1.00 0.00 O ATOM 0 H ASP A 87 -12.784 7.625 -4.367 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.650 7.802 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -14.827 7.603 -6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -14.833 5.909 -6.200 1.00 0.00 H new ATOM 1300 N LEU A 88 -15.491 5.060 -3.778 1.00 0.00 N ATOM 1301 CA LEU A 88 -15.327 3.785 -3.101 1.00 0.00 C ATOM 1302 C LEU A 88 -14.997 2.704 -4.132 1.00 0.00 C ATOM 1303 O LEU A 88 -15.135 1.513 -3.854 1.00 0.00 O ATOM 1304 CB LEU A 88 -16.558 3.468 -2.250 1.00 0.00 C ATOM 1305 CG LEU A 88 -16.282 2.876 -0.866 1.00 0.00 C ATOM 1306 CD1 LEU A 88 -15.270 1.732 -0.951 1.00 0.00 C ATOM 1307 CD2 LEU A 88 -15.839 3.962 0.116 1.00 0.00 C ATOM 0 H LEU A 88 -16.393 5.187 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 88 -14.490 3.828 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.133 4.385 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -17.188 2.771 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 88 -17.212 2.455 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.092 1.329 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.663 0.946 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.333 2.105 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.649 3.515 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.927 4.434 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -16.624 4.712 0.207 1.00 0.00 H new ATOM 1319 N ALA A 89 -14.568 3.157 -5.301 1.00 0.00 N ATOM 1320 CA ALA A 89 -14.217 2.243 -6.375 1.00 0.00 C ATOM 1321 C ALA A 89 -13.172 1.246 -5.869 1.00 0.00 C ATOM 1322 O ALA A 89 -12.308 1.599 -5.068 1.00 0.00 O ATOM 1323 CB ALA A 89 -13.725 3.041 -7.584 1.00 0.00 C ATOM 0 H ALA A 89 -14.456 4.145 -5.528 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.089 1.672 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.462 2.356 -8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.514 3.713 -7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.848 3.624 -7.303 1.00 0.00 H new ATOM 1329 N GLU A 90 -13.285 0.020 -6.359 1.00 0.00 N ATOM 1330 CA GLU A 90 -12.361 -1.030 -5.967 1.00 0.00 C ATOM 1331 C GLU A 90 -11.440 -1.389 -7.134 1.00 0.00 C ATOM 1332 O GLU A 90 -11.452 -2.522 -7.614 1.00 0.00 O ATOM 1333 CB GLU A 90 -13.114 -2.264 -5.464 1.00 0.00 C ATOM 1334 CG GLU A 90 -14.120 -1.885 -4.374 1.00 0.00 C ATOM 1335 CD GLU A 90 -15.479 -2.538 -4.632 1.00 0.00 C ATOM 1336 OE1 GLU A 90 -16.202 -2.018 -5.509 1.00 0.00 O ATOM 1337 OE2 GLU A 90 -15.765 -3.543 -3.946 1.00 0.00 O ATOM 0 H GLU A 90 -14.002 -0.269 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.748 -0.659 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.634 -2.741 -6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.405 -2.993 -5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.742 -2.197 -3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.234 -0.801 -4.340 1.00 0.00 H new ATOM 1344 N GLN A 91 -10.663 -0.403 -7.558 1.00 0.00 N ATOM 1345 CA GLN A 91 -9.737 -0.601 -8.660 1.00 0.00 C ATOM 1346 C GLN A 91 -8.387 -1.095 -8.137 1.00 0.00 C ATOM 1347 O GLN A 91 -7.729 -0.406 -7.359 1.00 0.00 O ATOM 1348 CB GLN A 91 -9.572 0.683 -9.475 1.00 0.00 C ATOM 1349 CG GLN A 91 -8.715 1.703 -8.724 1.00 0.00 C ATOM 1350 CD GLN A 91 -7.247 1.603 -9.146 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -6.863 0.774 -9.954 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -6.453 2.490 -8.555 1.00 0.00 N ATOM 0 H GLN A 91 -10.656 0.535 -7.158 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.149 -1.363 -9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.111 0.452 -10.435 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.551 1.112 -9.687 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.086 2.709 -8.920 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.801 1.535 -7.650 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -6.841 3.157 -7.887 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.456 2.504 -8.769 1.00 0.00 H new ATOM 1361 N PHE A 92 -8.014 -2.285 -8.585 1.00 0.00 N ATOM 1362 CA PHE A 92 -6.754 -2.879 -8.172 1.00 0.00 C ATOM 1363 C PHE A 92 -6.527 -4.223 -8.867 1.00 0.00 C ATOM 1364 O PHE A 92 -7.479 -4.955 -9.136 1.00 0.00 O ATOM 1365 CB PHE A 92 -6.842 -3.108 -6.661 1.00 0.00 C ATOM 1366 CG PHE A 92 -5.525 -3.556 -6.023 1.00 0.00 C ATOM 1367 CD1 PHE A 92 -5.194 -4.875 -6.000 1.00 0.00 C ATOM 1368 CD2 PHE A 92 -4.686 -2.634 -5.477 1.00 0.00 C ATOM 1369 CE1 PHE A 92 -3.973 -5.290 -5.407 1.00 0.00 C ATOM 1370 CE2 PHE A 92 -3.465 -3.050 -4.884 1.00 0.00 C ATOM 1371 CZ PHE A 92 -3.134 -4.369 -4.861 1.00 0.00 C ATOM 0 H PHE A 92 -8.562 -2.854 -9.230 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.927 -2.220 -8.437 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.171 -2.186 -6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.605 -3.860 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.860 -5.607 -6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.949 -1.587 -5.495 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.710 -6.337 -5.389 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.799 -2.319 -4.451 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.205 -4.685 -4.409 1.00 0.00 H new ATOM 1381 N LEU A 93 -5.262 -4.507 -9.139 1.00 0.00 N ATOM 1382 CA LEU A 93 -4.898 -5.750 -9.797 1.00 0.00 C ATOM 1383 C LEU A 93 -4.025 -6.583 -8.858 1.00 0.00 C ATOM 1384 O LEU A 93 -3.536 -6.079 -7.848 1.00 0.00 O ATOM 1385 CB LEU A 93 -4.247 -5.467 -11.153 1.00 0.00 C ATOM 1386 CG LEU A 93 -4.936 -4.412 -12.021 1.00 0.00 C ATOM 1387 CD1 LEU A 93 -3.923 -3.680 -12.903 1.00 0.00 C ATOM 1388 CD2 LEU A 93 -6.069 -5.031 -12.842 1.00 0.00 C ATOM 0 H LEU A 93 -4.476 -3.897 -8.915 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.788 -6.341 -10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.218 -5.151 -10.981 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.205 -6.400 -11.715 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.385 -3.669 -11.362 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.439 -2.936 -13.510 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.183 -3.185 -12.274 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.424 -4.397 -13.555 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.542 -4.259 -13.450 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.665 -5.808 -13.491 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.808 -5.467 -12.171 1.00 0.00 H new ATOM 1400 N ASP A 94 -3.855 -7.845 -9.223 1.00 0.00 N ATOM 1401 CA ASP A 94 -3.049 -8.754 -8.426 1.00 0.00 C ATOM 1402 C ASP A 94 -2.051 -9.475 -9.334 1.00 0.00 C ATOM 1403 O ASP A 94 -2.189 -10.670 -9.589 1.00 0.00 O ATOM 1404 CB ASP A 94 -3.921 -9.812 -7.747 1.00 0.00 C ATOM 1405 CG ASP A 94 -3.156 -10.995 -7.150 1.00 0.00 C ATOM 1406 OD1 ASP A 94 -2.652 -10.831 -6.017 1.00 0.00 O ATOM 1407 OD2 ASP A 94 -3.091 -12.036 -7.839 1.00 0.00 O ATOM 0 H ASP A 94 -4.262 -8.260 -10.061 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.534 -8.168 -7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.496 -9.333 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.638 -10.192 -8.475 1.00 0.00 H new ATOM 1412 N ASP A 95 -1.068 -8.717 -9.798 1.00 0.00 N ATOM 1413 CA ASP A 95 -0.048 -9.269 -10.673 1.00 0.00 C ATOM 1414 C ASP A 95 1.327 -8.765 -10.227 1.00 0.00 C ATOM 1415 O ASP A 95 1.448 -8.121 -9.186 1.00 0.00 O ATOM 1416 CB ASP A 95 -0.266 -8.828 -12.121 1.00 0.00 C ATOM 1417 CG ASP A 95 -0.719 -9.937 -13.074 1.00 0.00 C ATOM 1418 OD1 ASP A 95 0.122 -10.815 -13.362 1.00 0.00 O ATOM 1419 OD2 ASP A 95 -1.895 -9.881 -13.491 1.00 0.00 O ATOM 0 H ASP A 95 -0.956 -7.726 -9.585 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.106 -10.356 -10.615 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.010 -8.032 -12.134 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.663 -8.402 -12.499 1.00 0.00 H new ATOM 1424 N SER A 96 2.327 -9.077 -11.038 1.00 0.00 N ATOM 1425 CA SER A 96 3.688 -8.663 -10.740 1.00 0.00 C ATOM 1426 C SER A 96 4.030 -7.391 -11.519 1.00 0.00 C ATOM 1427 O SER A 96 5.201 -7.043 -11.661 1.00 0.00 O ATOM 1428 CB SER A 96 4.686 -9.774 -11.073 1.00 0.00 C ATOM 1429 OG SER A 96 4.640 -10.139 -12.449 1.00 0.00 O ATOM 0 H SER A 96 2.222 -9.611 -11.901 1.00 0.00 H new ATOM 0 HA SER A 96 3.758 -8.457 -9.672 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.693 -9.444 -10.819 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.473 -10.649 -10.459 1.00 0.00 H new ATOM 0 HG SER A 96 5.293 -10.849 -12.621 1.00 0.00 H new ATOM 1435 N THR A 97 2.987 -6.732 -12.002 1.00 0.00 N ATOM 1436 CA THR A 97 3.163 -5.506 -12.762 1.00 0.00 C ATOM 1437 C THR A 97 2.460 -4.340 -12.063 1.00 0.00 C ATOM 1438 O THR A 97 2.981 -3.226 -12.032 1.00 0.00 O ATOM 1439 CB THR A 97 2.658 -5.756 -14.184 1.00 0.00 C ATOM 1440 OG1 THR A 97 1.377 -6.351 -13.999 1.00 0.00 O ATOM 1441 CG2 THR A 97 3.467 -6.831 -14.912 1.00 0.00 C ATOM 0 H THR A 97 2.017 -7.024 -11.882 1.00 0.00 H new ATOM 0 HA THR A 97 4.214 -5.223 -12.820 1.00 0.00 H new ATOM 0 HB THR A 97 2.697 -4.826 -14.751 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.977 -6.544 -14.872 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.067 -6.969 -15.917 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.510 -6.520 -14.976 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.401 -7.770 -14.363 1.00 0.00 H new ATOM 1449 N ALA A 98 1.288 -4.637 -11.521 1.00 0.00 N ATOM 1450 CA ALA A 98 0.509 -3.627 -10.825 1.00 0.00 C ATOM 1451 C ALA A 98 1.233 -3.228 -9.537 1.00 0.00 C ATOM 1452 O ALA A 98 0.937 -3.756 -8.466 1.00 0.00 O ATOM 1453 CB ALA A 98 -0.900 -4.162 -10.560 1.00 0.00 C ATOM 0 H ALA A 98 0.859 -5.562 -11.550 1.00 0.00 H new ATOM 0 HA ALA A 98 0.408 -2.731 -11.437 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.485 -3.405 -10.038 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.382 -4.403 -11.508 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.839 -5.060 -9.946 1.00 0.00 H new ATOM 1459 N LEU A 99 2.167 -2.301 -9.685 1.00 0.00 N ATOM 1460 CA LEU A 99 2.935 -1.825 -8.547 1.00 0.00 C ATOM 1461 C LEU A 99 2.057 -0.911 -7.690 1.00 0.00 C ATOM 1462 O LEU A 99 0.946 -0.561 -8.087 1.00 0.00 O ATOM 1463 CB LEU A 99 4.235 -1.167 -9.015 1.00 0.00 C ATOM 1464 CG LEU A 99 5.459 -2.080 -9.092 1.00 0.00 C ATOM 1465 CD1 LEU A 99 5.782 -2.682 -7.723 1.00 0.00 C ATOM 1466 CD2 LEU A 99 5.273 -3.157 -10.163 1.00 0.00 C ATOM 0 H LEU A 99 2.410 -1.867 -10.575 1.00 0.00 H new ATOM 0 HA LEU A 99 3.237 -2.661 -7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.066 -0.736 -10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.464 -0.341 -8.341 1.00 0.00 H new ATOM 0 HG LEU A 99 6.317 -1.476 -9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.657 -3.327 -7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.988 -1.881 -7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.932 -3.267 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.158 -3.793 -10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.400 -3.763 -9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.129 -2.683 -11.134 1.00 0.00 H new ATOM 1478 N TYR A 100 2.587 -0.551 -6.531 1.00 0.00 N ATOM 1479 CA TYR A 100 1.865 0.316 -5.614 1.00 0.00 C ATOM 1480 C TYR A 100 2.797 0.869 -4.534 1.00 0.00 C ATOM 1481 O TYR A 100 3.663 0.155 -4.031 1.00 0.00 O ATOM 1482 CB TYR A 100 0.802 -0.562 -4.953 1.00 0.00 C ATOM 1483 CG TYR A 100 -0.386 -0.891 -5.860 1.00 0.00 C ATOM 1484 CD1 TYR A 100 -1.385 0.040 -6.053 1.00 0.00 C ATOM 1485 CD2 TYR A 100 -0.457 -2.120 -6.485 1.00 0.00 C ATOM 1486 CE1 TYR A 100 -2.503 -0.270 -6.907 1.00 0.00 C ATOM 1487 CE2 TYR A 100 -1.575 -2.430 -7.339 1.00 0.00 C ATOM 1488 CZ TYR A 100 -2.542 -1.489 -7.508 1.00 0.00 C ATOM 1489 OH TYR A 100 -3.598 -1.782 -8.314 1.00 0.00 O ATOM 0 H TYR A 100 3.508 -0.844 -6.205 1.00 0.00 H new ATOM 0 HA TYR A 100 1.435 1.164 -6.146 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.266 -1.493 -4.627 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.435 -0.059 -4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.329 1.001 -5.564 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.325 -2.849 -6.334 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.292 0.450 -7.066 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.644 -3.388 -7.834 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.270 -2.126 -9.171 1.00 0.00 H new ATOM 1499 N THR A 101 2.587 2.136 -4.209 1.00 0.00 N ATOM 1500 CA THR A 101 3.397 2.793 -3.197 1.00 0.00 C ATOM 1501 C THR A 101 2.504 3.423 -2.126 1.00 0.00 C ATOM 1502 O THR A 101 1.298 3.561 -2.320 1.00 0.00 O ATOM 1503 CB THR A 101 4.305 3.803 -3.901 1.00 0.00 C ATOM 1504 OG1 THR A 101 5.207 4.228 -2.883 1.00 0.00 O ATOM 1505 CG2 THR A 101 3.564 5.080 -4.299 1.00 0.00 C ATOM 0 H THR A 101 1.868 2.725 -4.628 1.00 0.00 H new ATOM 0 HA THR A 101 4.029 2.078 -2.670 1.00 0.00 H new ATOM 0 HB THR A 101 4.738 3.343 -4.790 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.834 4.884 -3.254 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.255 5.762 -4.795 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.749 4.831 -4.979 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.159 5.558 -3.407 1.00 0.00 H new ATOM 1513 N PHE A 102 3.133 3.789 -1.018 1.00 0.00 N ATOM 1514 CA PHE A 102 2.411 4.401 0.085 1.00 0.00 C ATOM 1515 C PHE A 102 2.149 5.884 -0.188 1.00 0.00 C ATOM 1516 O PHE A 102 3.041 6.604 -0.631 1.00 0.00 O ATOM 1517 CB PHE A 102 3.296 4.271 1.326 1.00 0.00 C ATOM 1518 CG PHE A 102 3.407 2.843 1.864 1.00 0.00 C ATOM 1519 CD1 PHE A 102 2.282 2.119 2.109 1.00 0.00 C ATOM 1520 CD2 PHE A 102 4.631 2.298 2.097 1.00 0.00 C ATOM 1521 CE1 PHE A 102 2.386 0.794 2.609 1.00 0.00 C ATOM 1522 CE2 PHE A 102 4.735 0.973 2.596 1.00 0.00 C ATOM 1523 CZ PHE A 102 3.610 0.249 2.842 1.00 0.00 C ATOM 0 H PHE A 102 4.134 3.673 -0.861 1.00 0.00 H new ATOM 0 HA PHE A 102 1.448 3.908 0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.295 4.637 1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 102 2.900 4.915 2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.310 2.552 1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.524 2.873 1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.493 0.219 2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.707 0.540 2.780 1.00 0.00 H new ATOM 0 HZ PHE A 102 3.689 -0.759 3.222 1.00 0.00 H new ATOM 1533 N ALA A 103 0.920 6.295 0.090 1.00 0.00 N ATOM 1534 CA ALA A 103 0.529 7.679 -0.119 1.00 0.00 C ATOM 1535 C ALA A 103 1.071 8.536 1.026 1.00 0.00 C ATOM 1536 O ALA A 103 1.491 8.009 2.056 1.00 0.00 O ATOM 1537 CB ALA A 103 -0.993 7.766 -0.244 1.00 0.00 C ATOM 0 H ALA A 103 0.182 5.694 0.458 1.00 0.00 H new ATOM 0 HA ALA A 103 0.954 8.062 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.286 8.804 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.324 7.164 -1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.455 7.392 0.670 1.00 0.00 H new ATOM 1543 N GLU A 104 1.043 9.843 0.809 1.00 0.00 N ATOM 1544 CA GLU A 104 1.526 10.778 1.811 1.00 0.00 C ATOM 1545 C GLU A 104 0.353 11.524 2.451 1.00 0.00 C ATOM 1546 O GLU A 104 -0.370 12.250 1.771 1.00 0.00 O ATOM 1547 CB GLU A 104 2.534 11.758 1.206 1.00 0.00 C ATOM 1548 CG GLU A 104 3.784 11.025 0.716 1.00 0.00 C ATOM 1549 CD GLU A 104 4.721 11.977 -0.030 1.00 0.00 C ATOM 1550 OE1 GLU A 104 4.898 13.108 0.472 1.00 0.00 O ATOM 1551 OE2 GLU A 104 5.239 11.553 -1.085 1.00 0.00 O ATOM 0 H GLU A 104 0.693 10.276 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 104 2.040 10.213 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.073 12.293 0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.813 12.504 1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.308 10.584 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.495 10.205 0.059 1.00 0.00 H new ATOM 1558 N SER A 105 0.200 11.318 3.750 1.00 0.00 N ATOM 1559 CA SER A 105 -0.872 11.962 4.489 1.00 0.00 C ATOM 1560 C SER A 105 -0.924 11.417 5.918 1.00 0.00 C ATOM 1561 O SER A 105 -1.893 10.765 6.303 1.00 0.00 O ATOM 1562 CB SER A 105 -2.220 11.757 3.794 1.00 0.00 C ATOM 1563 OG SER A 105 -2.636 12.919 3.082 1.00 0.00 O ATOM 0 H SER A 105 0.801 10.714 4.310 1.00 0.00 H new ATOM 0 HA SER A 105 -0.669 13.032 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.148 10.916 3.105 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.975 11.497 4.536 1.00 0.00 H new ATOM 0 HG SER A 105 -1.995 13.110 2.365 1.00 0.00 H new ATOM 1569 N TYR A 106 0.131 11.706 6.666 1.00 0.00 N ATOM 1570 CA TYR A 106 0.218 11.253 8.044 1.00 0.00 C ATOM 1571 C TYR A 106 1.513 11.737 8.699 1.00 0.00 C ATOM 1572 O TYR A 106 2.534 11.886 8.029 1.00 0.00 O ATOM 1573 CB TYR A 106 0.231 9.724 7.985 1.00 0.00 C ATOM 1574 CG TYR A 106 1.576 9.129 7.565 1.00 0.00 C ATOM 1575 CD1 TYR A 106 2.378 9.802 6.666 1.00 0.00 C ATOM 1576 CD2 TYR A 106 1.988 7.918 8.086 1.00 0.00 C ATOM 1577 CE1 TYR A 106 3.644 9.241 6.271 1.00 0.00 C ATOM 1578 CE2 TYR A 106 3.254 7.358 7.690 1.00 0.00 C ATOM 1579 CZ TYR A 106 4.020 8.047 6.803 1.00 0.00 C ATOM 1580 OH TYR A 106 5.215 7.517 6.429 1.00 0.00 O ATOM 0 H TYR A 106 0.933 12.248 6.344 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.615 11.642 8.629 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -0.039 9.331 8.965 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.536 9.391 7.286 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.056 10.749 6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.361 7.391 8.790 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.281 9.757 5.568 1.00 0.00 H new ATOM 0 HE2 TYR A 106 3.588 6.411 8.089 1.00 0.00 H new ATOM 0 HH TYR A 106 5.889 8.227 6.385 1.00 0.00 H new ATOM 1590 N LYS A 107 1.429 11.969 10.001 1.00 0.00 N ATOM 1591 CA LYS A 107 2.581 12.434 10.754 1.00 0.00 C ATOM 1592 C LYS A 107 3.677 11.367 10.710 1.00 0.00 C ATOM 1593 O LYS A 107 3.839 10.599 11.656 1.00 0.00 O ATOM 1594 CB LYS A 107 2.169 12.833 12.173 1.00 0.00 C ATOM 1595 CG LYS A 107 1.319 11.740 12.825 1.00 0.00 C ATOM 1596 CD LYS A 107 1.697 11.556 14.296 1.00 0.00 C ATOM 1597 CE LYS A 107 1.622 10.083 14.701 1.00 0.00 C ATOM 1598 NZ LYS A 107 0.465 9.848 15.593 1.00 0.00 N ATOM 0 H LYS A 107 0.581 11.844 10.553 1.00 0.00 H new ATOM 0 HA LYS A 107 2.993 13.336 10.301 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.058 13.015 12.776 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.607 13.767 12.143 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.263 12.000 12.747 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.456 10.800 12.290 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.706 11.933 14.466 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.027 12.144 14.924 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.535 9.459 13.811 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.543 9.791 15.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 0.429 8.843 15.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.564 10.429 16.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.413 10.107 15.099 1.00 0.00 H new ATOM 1612 N LYS A 108 4.402 11.355 9.601 1.00 0.00 N ATOM 1613 CA LYS A 108 5.478 10.396 9.420 1.00 0.00 C ATOM 1614 C LYS A 108 6.033 10.519 8.000 1.00 0.00 C ATOM 1615 O LYS A 108 6.098 9.533 7.267 1.00 0.00 O ATOM 1616 CB LYS A 108 5.003 8.985 9.775 1.00 0.00 C ATOM 1617 CG LYS A 108 6.037 7.937 9.357 1.00 0.00 C ATOM 1618 CD LYS A 108 6.440 7.060 10.544 1.00 0.00 C ATOM 1619 CE LYS A 108 7.214 5.826 10.076 1.00 0.00 C ATOM 1620 NZ LYS A 108 7.425 4.889 11.202 1.00 0.00 N ATOM 0 H LYS A 108 4.265 11.995 8.818 1.00 0.00 H new ATOM 0 HA LYS A 108 6.300 10.612 10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.824 8.917 10.848 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.053 8.782 9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.627 7.314 8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 108 6.919 8.433 8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.053 7.638 11.236 1.00 0.00 H new ATOM 0 HD3 LYS A 108 5.549 6.750 11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.665 5.327 9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.176 6.128 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.952 4.057 10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.968 5.364 11.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.504 4.587 11.579 1.00 0.00 H new ATOM 1634 N LYS A 109 6.420 11.738 7.654 1.00 0.00 N ATOM 1635 CA LYS A 109 6.967 12.003 6.334 1.00 0.00 C ATOM 1636 C LYS A 109 8.487 11.833 6.374 1.00 0.00 C ATOM 1637 O LYS A 109 9.113 12.055 7.409 1.00 0.00 O ATOM 1638 CB LYS A 109 6.514 13.376 5.832 1.00 0.00 C ATOM 1639 CG LYS A 109 5.352 13.243 4.847 1.00 0.00 C ATOM 1640 CD LYS A 109 5.163 14.533 4.045 1.00 0.00 C ATOM 1641 CE LYS A 109 3.873 15.247 4.451 1.00 0.00 C ATOM 1642 NZ LYS A 109 3.746 16.536 3.735 1.00 0.00 N ATOM 0 H LYS A 109 6.366 12.553 8.265 1.00 0.00 H new ATOM 0 HA LYS A 109 6.584 11.283 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 109 6.210 13.994 6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.349 13.884 5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 109 5.540 12.412 4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.436 13.010 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.015 15.194 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 109 5.136 14.303 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.014 14.614 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.870 15.420 5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.865 17.007 4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.556 17.144 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.728 16.363 2.710 1.00 0.00 H new ATOM 1656 N VAL A 110 9.037 11.442 5.233 1.00 0.00 N ATOM 1657 CA VAL A 110 10.471 11.240 5.125 1.00 0.00 C ATOM 1658 C VAL A 110 11.071 12.337 4.243 1.00 0.00 C ATOM 1659 O VAL A 110 12.226 12.721 4.422 1.00 0.00 O ATOM 1660 CB VAL A 110 10.764 9.831 4.607 1.00 0.00 C ATOM 1661 CG1 VAL A 110 9.735 9.409 3.555 1.00 0.00 C ATOM 1662 CG2 VAL A 110 12.186 9.734 4.053 1.00 0.00 C ATOM 0 H VAL A 110 8.515 11.260 4.376 1.00 0.00 H new ATOM 0 HA VAL A 110 10.942 11.316 6.105 1.00 0.00 H new ATOM 0 HB VAL A 110 10.686 9.142 5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.966 8.404 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 110 8.738 9.419 3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.767 10.104 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.367 8.722 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 110 12.305 10.440 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.901 9.971 4.841 1.00 0.00 H new ATOM 1672 N SER A 111 10.259 12.812 3.310 1.00 0.00 N ATOM 1673 CA SER A 111 10.695 13.857 2.399 1.00 0.00 C ATOM 1674 C SER A 111 12.162 13.643 2.020 1.00 0.00 C ATOM 1675 O SER A 111 13.059 14.182 2.666 1.00 0.00 O ATOM 1676 CB SER A 111 10.505 15.243 3.020 1.00 0.00 C ATOM 1677 OG SER A 111 9.941 16.169 2.096 1.00 0.00 O ATOM 0 H SER A 111 9.301 12.492 3.165 1.00 0.00 H new ATOM 0 HA SER A 111 10.082 13.804 1.499 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.858 15.163 3.894 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.467 15.619 3.369 1.00 0.00 H new ATOM 0 HG SER A 111 9.834 17.041 2.531 1.00 0.00 H new ATOM 1683 N SER A 112 12.360 12.854 0.974 1.00 0.00 N ATOM 1684 CA SER A 112 13.702 12.561 0.501 1.00 0.00 C ATOM 1685 C SER A 112 13.821 12.908 -0.984 1.00 0.00 C ATOM 1686 O SER A 112 13.594 12.057 -1.844 1.00 0.00 O ATOM 1687 CB SER A 112 14.060 11.092 0.734 1.00 0.00 C ATOM 1688 OG SER A 112 15.460 10.907 0.923 1.00 0.00 O ATOM 0 H SER A 112 11.613 12.409 0.441 1.00 0.00 H new ATOM 0 HA SER A 112 14.405 13.172 1.067 1.00 0.00 H new ATOM 0 HB2 SER A 112 13.524 10.723 1.608 1.00 0.00 H new ATOM 0 HB3 SER A 112 13.728 10.498 -0.118 1.00 0.00 H new ATOM 0 HG SER A 112 15.647 9.956 1.070 1.00 0.00 H new ATOM 1694 N LYS A 113 14.176 14.158 -1.241 1.00 0.00 N ATOM 1695 CA LYS A 113 14.328 14.627 -2.608 1.00 0.00 C ATOM 1696 C LYS A 113 15.736 14.294 -3.104 1.00 0.00 C ATOM 1697 O LYS A 113 16.642 14.064 -2.304 1.00 0.00 O ATOM 1698 CB LYS A 113 13.977 16.113 -2.706 1.00 0.00 C ATOM 1699 CG LYS A 113 12.947 16.362 -3.809 1.00 0.00 C ATOM 1700 CD LYS A 113 13.201 17.701 -4.505 1.00 0.00 C ATOM 1701 CE LYS A 113 11.883 18.384 -4.877 1.00 0.00 C ATOM 1702 NZ LYS A 113 11.494 19.361 -3.836 1.00 0.00 N ATOM 0 H LYS A 113 14.363 14.861 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 113 13.628 14.113 -3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.583 16.461 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.879 16.691 -2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.989 15.554 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.944 16.354 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.780 18.352 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 113 13.798 17.541 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 113 11.987 18.889 -5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.099 17.636 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.598 19.815 -4.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.375 18.871 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 12.235 20.085 -3.745 1.00 0.00 H new ATOM 1716 N GLU A 114 15.877 14.277 -4.421 1.00 0.00 N ATOM 1717 CA GLU A 114 17.159 13.975 -5.033 1.00 0.00 C ATOM 1718 C GLU A 114 17.310 14.735 -6.353 1.00 0.00 C ATOM 1719 O GLU A 114 16.740 14.341 -7.369 1.00 0.00 O ATOM 1720 CB GLU A 114 17.324 12.469 -5.247 1.00 0.00 C ATOM 1721 CG GLU A 114 18.722 12.140 -5.774 1.00 0.00 C ATOM 1722 CD GLU A 114 18.762 10.736 -6.382 1.00 0.00 C ATOM 1723 OE1 GLU A 114 18.524 9.779 -5.614 1.00 0.00 O ATOM 1724 OE2 GLU A 114 19.030 10.652 -7.600 1.00 0.00 O ATOM 0 H GLU A 114 15.124 14.468 -5.082 1.00 0.00 H new ATOM 0 HA GLU A 114 17.948 14.301 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.153 11.944 -4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.573 12.114 -5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.013 12.874 -6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.446 12.210 -4.962 1.00 0.00 H new ATOM 1731 N SER A 115 18.080 15.812 -6.294 1.00 0.00 N ATOM 1732 CA SER A 115 18.312 16.631 -7.472 1.00 0.00 C ATOM 1733 C SER A 115 18.562 15.738 -8.689 1.00 0.00 C ATOM 1734 O SER A 115 19.298 14.757 -8.602 1.00 0.00 O ATOM 1735 CB SER A 115 19.493 17.580 -7.258 1.00 0.00 C ATOM 1736 OG SER A 115 19.187 18.912 -7.663 1.00 0.00 O ATOM 0 H SER A 115 18.551 16.136 -5.449 1.00 0.00 H new ATOM 0 HA SER A 115 17.422 17.235 -7.650 1.00 0.00 H new ATOM 0 HB2 SER A 115 19.775 17.577 -6.205 1.00 0.00 H new ATOM 0 HB3 SER A 115 20.355 17.219 -7.820 1.00 0.00 H new ATOM 0 HG SER A 115 19.965 19.488 -7.509 1.00 0.00 H new ATOM 1742 N GLY A 116 17.935 16.111 -9.795 1.00 0.00 N ATOM 1743 CA GLY A 116 18.081 15.357 -11.028 1.00 0.00 C ATOM 1744 C GLY A 116 17.579 16.164 -12.227 1.00 0.00 C ATOM 1745 O GLY A 116 16.375 16.245 -12.465 1.00 0.00 O ATOM 0 H GLY A 116 17.325 16.926 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 116 19.128 15.093 -11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 116 17.524 14.423 -10.955 1.00 0.00 H new ATOM 1749 N PRO A 117 18.553 16.755 -12.970 1.00 0.00 N ATOM 1750 CA PRO A 117 18.222 17.553 -14.138 1.00 0.00 C ATOM 1751 C PRO A 117 17.818 16.661 -15.314 1.00 0.00 C ATOM 1752 O PRO A 117 17.857 15.436 -15.211 1.00 0.00 O ATOM 1753 CB PRO A 117 19.468 18.377 -14.418 1.00 0.00 C ATOM 1754 CG PRO A 117 20.603 17.677 -13.688 1.00 0.00 C ATOM 1755 CD PRO A 117 19.989 16.681 -12.718 1.00 0.00 C ATOM 0 HA PRO A 117 17.361 18.201 -13.975 1.00 0.00 H new ATOM 0 HB2 PRO A 117 19.667 18.432 -15.488 1.00 0.00 H new ATOM 0 HB3 PRO A 117 19.347 19.400 -14.063 1.00 0.00 H new ATOM 0 HG2 PRO A 117 21.256 17.167 -14.397 1.00 0.00 H new ATOM 0 HG3 PRO A 117 21.217 18.402 -13.153 1.00 0.00 H new ATOM 0 HD2 PRO A 117 20.370 15.674 -12.890 1.00 0.00 H new ATOM 0 HD3 PRO A 117 20.224 16.938 -11.685 1.00 0.00 H new ATOM 1763 N SER A 118 17.440 17.311 -16.406 1.00 0.00 N ATOM 1764 CA SER A 118 17.030 16.593 -17.600 1.00 0.00 C ATOM 1765 C SER A 118 18.213 16.455 -18.560 1.00 0.00 C ATOM 1766 O SER A 118 19.231 17.125 -18.396 1.00 0.00 O ATOM 1767 CB SER A 118 15.863 17.298 -18.294 1.00 0.00 C ATOM 1768 OG SER A 118 14.822 17.633 -17.380 1.00 0.00 O ATOM 0 H SER A 118 17.409 18.327 -16.488 1.00 0.00 H new ATOM 0 HA SER A 118 16.694 15.600 -17.303 1.00 0.00 H new ATOM 0 HB2 SER A 118 16.224 18.204 -18.780 1.00 0.00 H new ATOM 0 HB3 SER A 118 15.464 16.653 -19.077 1.00 0.00 H new ATOM 0 HG SER A 118 14.096 18.083 -17.861 1.00 0.00 H new ATOM 1774 N SER A 119 18.039 15.581 -19.541 1.00 0.00 N ATOM 1775 CA SER A 119 19.080 15.347 -20.527 1.00 0.00 C ATOM 1776 C SER A 119 18.477 15.341 -21.933 1.00 0.00 C ATOM 1777 O SER A 119 17.385 14.814 -22.143 1.00 0.00 O ATOM 1778 CB SER A 119 19.808 14.028 -20.257 1.00 0.00 C ATOM 1779 OG SER A 119 21.166 14.070 -20.688 1.00 0.00 O ATOM 0 H SER A 119 17.193 15.027 -19.674 1.00 0.00 H new ATOM 0 HA SER A 119 19.808 16.155 -20.454 1.00 0.00 H new ATOM 0 HB2 SER A 119 19.773 13.806 -19.190 1.00 0.00 H new ATOM 0 HB3 SER A 119 19.290 13.217 -20.769 1.00 0.00 H new ATOM 0 HG SER A 119 21.597 13.211 -20.497 1.00 0.00 H new ATOM 1785 N GLY A 120 19.213 15.935 -22.861 1.00 0.00 N ATOM 1786 CA GLY A 120 18.765 16.005 -24.241 1.00 0.00 C ATOM 1787 C GLY A 120 19.594 15.081 -25.135 1.00 0.00 C ATOM 1788 O GLY A 120 20.772 14.849 -24.870 1.00 0.00 O ATOM 0 H GLY A 120 20.117 16.372 -22.684 1.00 0.00 H new ATOM 0 HA2 GLY A 120 17.713 15.726 -24.300 1.00 0.00 H new ATOM 0 HA3 GLY A 120 18.843 17.031 -24.601 1.00 0.00 H new TER 1792 GLY A 120