USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 978 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 41 MET CE :methyl -138:sc= -0.353 (180deg=-1.14) USER MOD Set 1.2: A 43 MET CE :methyl 137:sc= -0.849 (180deg=-2.1!) USER MOD Single : A 1 MET CE :methyl -109:sc= -0.15 (180deg=-2.12!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= 1.68 (180deg=0.328) USER MOD Single : A 12 SER OG : rot 71:sc= 0.19 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.853 USER MOD Single : A 32 TYR OH : rot 32:sc= 0.233 USER MOD Single : A 33 ASN : amide:sc= 0.877 K(o=0.88,f=-7.6!) USER MOD Single : A 36 HIS : no HE2:sc= -1.7 K(o=-1.7,f=-7.3!) USER MOD Single : A 38 MET CE :methyl -141:sc= -0.267 (180deg=-0.943) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -16:sc= 0.18 USER MOD Single : A 55 SER OG : rot 89:sc= 0.342 USER MOD Single : A 58 LYS NZ :NH3+ -149:sc= 1.13 (180deg=0.245) USER MOD Single : A 59 SER OG : rot 54:sc=-0.00966 USER MOD Single : A 63 TYR OH : rot 0:sc= -0.101! USER MOD Single : A 65 TYR OH : rot 85:sc= 1.96 USER MOD Single : A 71 GLN : amide:sc= -0.0543 K(o=-0.054,f=-4.3!) USER MOD Single : A 72 THR OG1 : rot 74:sc= 0.795 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.34 K(o=-1.3,f=0) USER MOD Single : A 77 ASN : amide:sc=-0.00911 K(o=-0.0091,f=-1.3) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -0.417 K(o=-0.42,f=-2!) USER MOD Single : A 88 SER OG : rot 91:sc= 0.369 USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1) USER MOD Single : A 98 LYS NZ :NH3+ -121:sc= 1.17 (180deg=-0.468) USER MOD Single : A 104 THR OG1 : rot 137:sc= 0.686 USER MOD Single : A 110 SER OG : rot 160:sc= 0.0316 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.514 K(o=-0.51,f=-4.1!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= -0.639 K(o=-0.64,f=-2.3) USER MOD Single : A 129 HIS : no HD1:sc= -0.0051 X(o=-0.0051,f=-0.28) USER MOD Single : A 130 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.66) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.472 1.849 16.125 1.00 14.30 N ATOM 2 CA MET A 1 -2.098 1.275 14.802 1.00 45.24 C ATOM 3 C MET A 1 -0.569 1.182 14.664 1.00 1.45 C ATOM 4 O MET A 1 0.128 2.193 14.763 1.00 42.23 O ATOM 5 CB MET A 1 -2.688 2.140 13.676 1.00 31.03 C ATOM 6 CG MET A 1 -2.612 1.512 12.292 1.00 24.13 C ATOM 7 SD MET A 1 -3.389 2.544 11.034 1.00 22.04 S ATOM 8 CE MET A 1 -3.361 1.455 9.611 1.00 53.25 C ATOM 0 H1 MET A 1 -3.508 1.904 16.199 1.00 14.30 H new ATOM 0 H2 MET A 1 -2.102 1.242 16.884 1.00 14.30 H new ATOM 0 H3 MET A 1 -2.067 2.803 16.217 1.00 14.30 H new ATOM 0 HA MET A 1 -2.506 0.267 14.727 1.00 45.24 H new ATOM 0 HB2 MET A 1 -3.732 2.353 13.908 1.00 31.03 H new ATOM 0 HB3 MET A 1 -2.164 3.096 13.657 1.00 31.03 H new ATOM 0 HG2 MET A 1 -1.568 1.344 12.028 1.00 24.13 H new ATOM 0 HG3 MET A 1 -3.097 0.536 12.310 1.00 24.13 H new ATOM 0 HE1 MET A 1 -2.633 1.821 8.887 1.00 53.25 H new ATOM 0 HE2 MET A 1 -3.084 0.449 9.928 1.00 53.25 H new ATOM 0 HE3 MET A 1 -4.349 1.432 9.151 1.00 53.25 H new ATOM 20 N GLU A 2 -0.052 -0.029 14.438 1.00 43.12 N ATOM 21 CA GLU A 2 1.403 -0.251 14.347 1.00 43.13 C ATOM 22 C GLU A 2 2.043 0.559 13.201 1.00 64.22 C ATOM 23 O GLU A 2 1.421 0.778 12.157 1.00 12.11 O ATOM 24 CB GLU A 2 1.726 -1.744 14.148 1.00 70.15 C ATOM 25 CG GLU A 2 1.393 -2.642 15.341 1.00 53.44 C ATOM 26 CD GLU A 2 -0.088 -2.665 15.683 1.00 35.03 C ATOM 27 OE1 GLU A 2 -0.908 -2.936 14.781 1.00 62.41 O ATOM 28 OE2 GLU A 2 -0.439 -2.416 16.853 1.00 54.10 O ATOM 0 H GLU A 2 -0.613 -0.872 14.314 1.00 43.12 H new ATOM 0 HA GLU A 2 1.825 0.091 15.292 1.00 43.13 H new ATOM 0 HB2 GLU A 2 1.180 -2.105 13.277 1.00 70.15 H new ATOM 0 HB3 GLU A 2 2.788 -1.844 13.923 1.00 70.15 H new ATOM 0 HG2 GLU A 2 1.725 -3.658 15.126 1.00 53.44 H new ATOM 0 HG3 GLU A 2 1.954 -2.301 16.211 1.00 53.44 H new ATOM 35 N PRO A 3 3.310 0.992 13.379 1.00 73.54 N ATOM 36 CA PRO A 3 4.045 1.754 12.355 1.00 32.21 C ATOM 37 C PRO A 3 4.295 0.929 11.087 1.00 51.40 C ATOM 38 O PRO A 3 3.946 1.344 9.987 1.00 64.34 O ATOM 39 CB PRO A 3 5.386 2.103 13.035 1.00 25.43 C ATOM 40 CG PRO A 3 5.167 1.851 14.493 1.00 53.31 C ATOM 41 CD PRO A 3 4.123 0.769 14.582 1.00 31.23 C ATOM 0 HA PRO A 3 3.483 2.629 12.029 1.00 32.21 H new ATOM 0 HB2 PRO A 3 6.196 1.486 12.647 1.00 25.43 H new ATOM 0 HB3 PRO A 3 5.661 3.142 12.852 1.00 25.43 H new ATOM 0 HG2 PRO A 3 6.092 1.539 14.977 1.00 53.31 H new ATOM 0 HG3 PRO A 3 4.832 2.757 14.998 1.00 53.31 H new ATOM 0 HD2 PRO A 3 4.571 -0.225 14.587 1.00 31.23 H new ATOM 0 HD3 PRO A 3 3.529 0.856 15.492 1.00 31.23 H new ATOM 49 N GLN A 4 4.889 -0.251 11.260 1.00 43.24 N ATOM 50 CA GLN A 4 5.263 -1.111 10.134 1.00 20.32 C ATOM 51 C GLN A 4 4.584 -2.486 10.219 1.00 3.42 C ATOM 52 O GLN A 4 4.793 -3.239 11.173 1.00 71.03 O ATOM 53 CB GLN A 4 6.786 -1.284 10.101 1.00 13.12 C ATOM 54 CG GLN A 4 7.546 0.027 9.952 1.00 22.00 C ATOM 55 CD GLN A 4 9.048 -0.154 10.062 1.00 74.42 C ATOM 56 OE1 GLN A 4 9.620 -0.072 11.145 1.00 2.11 O ATOM 57 NE2 GLN A 4 9.699 -0.417 8.950 1.00 1.34 N ATOM 0 H GLN A 4 5.123 -0.637 12.175 1.00 43.24 H new ATOM 0 HA GLN A 4 4.924 -0.629 9.217 1.00 20.32 H new ATOM 0 HB2 GLN A 4 7.107 -1.778 11.018 1.00 13.12 H new ATOM 0 HB3 GLN A 4 7.050 -1.943 9.274 1.00 13.12 H new ATOM 0 HG2 GLN A 4 7.307 0.473 8.987 1.00 22.00 H new ATOM 0 HG3 GLN A 4 7.211 0.726 10.718 1.00 22.00 H new ATOM 0 HE21 GLN A 4 9.194 -0.478 8.066 1.00 1.34 H new ATOM 0 HE22 GLN A 4 10.709 -0.560 8.972 1.00 1.34 H new ATOM 66 N SER A 5 3.771 -2.808 9.217 1.00 1.51 N ATOM 67 CA SER A 5 3.096 -4.112 9.143 1.00 61.34 C ATOM 68 C SER A 5 3.854 -5.073 8.220 1.00 42.34 C ATOM 69 O SER A 5 4.191 -4.721 7.091 1.00 34.25 O ATOM 70 CB SER A 5 1.661 -3.942 8.626 1.00 73.11 C ATOM 71 OG SER A 5 0.984 -5.188 8.549 1.00 51.33 O ATOM 0 H SER A 5 3.559 -2.184 8.438 1.00 1.51 H new ATOM 0 HA SER A 5 3.075 -4.532 10.149 1.00 61.34 H new ATOM 0 HB2 SER A 5 1.113 -3.269 9.286 1.00 73.11 H new ATOM 0 HB3 SER A 5 1.681 -3.476 7.641 1.00 73.11 H new ATOM 0 HG SER A 5 0.073 -5.045 8.218 1.00 51.33 H new ATOM 77 N ASP A 6 4.126 -6.285 8.701 1.00 61.14 N ATOM 78 CA ASP A 6 4.816 -7.295 7.895 1.00 70.43 C ATOM 79 C ASP A 6 3.912 -7.801 6.756 1.00 61.30 C ATOM 80 O ASP A 6 2.703 -7.972 6.940 1.00 32.40 O ATOM 81 CB ASP A 6 5.256 -8.471 8.778 1.00 63.14 C ATOM 82 CG ASP A 6 6.224 -9.396 8.061 1.00 74.52 C ATOM 83 OD1 ASP A 6 5.765 -10.278 7.308 1.00 5.23 O ATOM 84 OD2 ASP A 6 7.449 -9.239 8.242 1.00 34.44 O ATOM 0 H ASP A 6 3.881 -6.592 9.642 1.00 61.14 H new ATOM 0 HA ASP A 6 5.698 -6.831 7.454 1.00 70.43 H new ATOM 0 HB2 ASP A 6 5.726 -8.087 9.684 1.00 63.14 H new ATOM 0 HB3 ASP A 6 4.378 -9.037 9.090 1.00 63.14 H new ATOM 89 N ALA A 7 4.507 -8.043 5.586 1.00 34.51 N ATOM 90 CA ALA A 7 3.763 -8.530 4.418 1.00 12.50 C ATOM 91 C ALA A 7 2.974 -9.808 4.739 1.00 0.21 C ATOM 92 O ALA A 7 1.802 -9.938 4.378 1.00 70.22 O ATOM 93 CB ALA A 7 4.718 -8.784 3.258 1.00 32.41 C ATOM 0 H ALA A 7 5.505 -7.910 5.420 1.00 34.51 H new ATOM 0 HA ALA A 7 3.046 -7.759 4.136 1.00 12.50 H new ATOM 0 HB1 ALA A 7 4.156 -9.145 2.397 1.00 32.41 H new ATOM 0 HB2 ALA A 7 5.227 -7.857 2.996 1.00 32.41 H new ATOM 0 HB3 ALA A 7 5.455 -9.532 3.550 1.00 32.41 H new ATOM 99 N HIS A 8 3.624 -10.744 5.433 1.00 73.43 N ATOM 100 CA HIS A 8 2.990 -12.005 5.820 1.00 23.14 C ATOM 101 C HIS A 8 1.818 -11.772 6.781 1.00 73.42 C ATOM 102 O HIS A 8 0.745 -12.349 6.612 1.00 3.42 O ATOM 103 CB HIS A 8 4.031 -12.945 6.447 1.00 63.12 C ATOM 104 CG HIS A 8 3.441 -14.032 7.286 1.00 52.42 C ATOM 105 ND1 HIS A 8 3.063 -15.261 6.797 1.00 43.31 N ATOM 106 CD2 HIS A 8 3.152 -14.048 8.601 1.00 24.31 C ATOM 107 CE1 HIS A 8 2.563 -15.983 7.778 1.00 15.03 C ATOM 108 NE2 HIS A 8 2.605 -15.273 8.885 1.00 13.10 N ATOM 0 H HIS A 8 4.593 -10.652 5.739 1.00 73.43 H new ATOM 0 HA HIS A 8 2.586 -12.473 4.922 1.00 23.14 H new ATOM 0 HB2 HIS A 8 4.624 -13.396 5.651 1.00 63.12 H new ATOM 0 HB3 HIS A 8 4.714 -12.357 7.060 1.00 63.12 H new ATOM 0 HD2 HIS A 8 3.320 -13.244 9.303 1.00 24.31 H new ATOM 0 HE1 HIS A 8 2.182 -16.990 7.689 1.00 15.03 H new ATOM 0 HE2 HIS A 8 2.284 -15.582 9.802 1.00 13.10 H new ATOM 117 N VAL A 9 2.033 -10.933 7.790 1.00 42.01 N ATOM 118 CA VAL A 9 0.988 -10.641 8.776 1.00 31.32 C ATOM 119 C VAL A 9 -0.233 -9.981 8.119 1.00 0.32 C ATOM 120 O VAL A 9 -1.375 -10.279 8.473 1.00 0.00 O ATOM 121 CB VAL A 9 1.522 -9.744 9.922 1.00 34.53 C ATOM 122 CG1 VAL A 9 0.405 -9.374 10.901 1.00 31.33 C ATOM 123 CG2 VAL A 9 2.669 -10.452 10.644 1.00 24.35 C ATOM 0 H VAL A 9 2.914 -10.444 7.949 1.00 42.01 H new ATOM 0 HA VAL A 9 0.679 -11.596 9.202 1.00 31.32 H new ATOM 0 HB VAL A 9 1.898 -8.816 9.490 1.00 34.53 H new ATOM 0 HG11 VAL A 9 0.810 -8.745 11.694 1.00 31.33 H new ATOM 0 HG12 VAL A 9 -0.378 -8.832 10.371 1.00 31.33 H new ATOM 0 HG13 VAL A 9 -0.013 -10.282 11.336 1.00 31.33 H new ATOM 0 HG21 VAL A 9 3.040 -9.817 11.448 1.00 24.35 H new ATOM 0 HG22 VAL A 9 2.311 -11.393 11.061 1.00 24.35 H new ATOM 0 HG23 VAL A 9 3.475 -10.652 9.938 1.00 24.35 H new ATOM 133 N LEU A 10 0.008 -9.099 7.151 1.00 0.21 N ATOM 134 CA LEU A 10 -1.085 -8.466 6.404 1.00 3.53 C ATOM 135 C LEU A 10 -1.828 -9.496 5.536 1.00 54.33 C ATOM 136 O LEU A 10 -3.055 -9.474 5.446 1.00 64.44 O ATOM 137 CB LEU A 10 -0.554 -7.320 5.528 1.00 50.55 C ATOM 138 CG LEU A 10 -1.638 -6.493 4.809 1.00 54.45 C ATOM 139 CD1 LEU A 10 -2.564 -5.821 5.820 1.00 41.32 C ATOM 140 CD2 LEU A 10 -1.008 -5.456 3.882 1.00 23.51 C ATOM 0 H LEU A 10 0.942 -8.806 6.865 1.00 0.21 H new ATOM 0 HA LEU A 10 -1.788 -8.054 7.128 1.00 3.53 H new ATOM 0 HB2 LEU A 10 0.038 -6.650 6.152 1.00 50.55 H new ATOM 0 HB3 LEU A 10 0.119 -7.737 4.779 1.00 50.55 H new ATOM 0 HG LEU A 10 -2.233 -7.174 4.200 1.00 54.45 H new ATOM 0 HD11 LEU A 10 -3.321 -5.243 5.291 1.00 41.32 H new ATOM 0 HD12 LEU A 10 -3.050 -6.582 6.431 1.00 41.32 H new ATOM 0 HD13 LEU A 10 -1.983 -5.158 6.461 1.00 41.32 H new ATOM 0 HD21 LEU A 10 -1.794 -4.886 3.387 1.00 23.51 H new ATOM 0 HD22 LEU A 10 -0.381 -4.780 4.464 1.00 23.51 H new ATOM 0 HD23 LEU A 10 -0.398 -5.961 3.132 1.00 23.51 H new ATOM 152 N LYS A 11 -1.078 -10.398 4.901 1.00 25.34 N ATOM 153 CA LYS A 11 -1.674 -11.482 4.105 1.00 42.32 C ATOM 154 C LYS A 11 -2.593 -12.363 4.968 1.00 14.21 C ATOM 155 O LYS A 11 -3.706 -12.708 4.564 1.00 53.34 O ATOM 156 CB LYS A 11 -0.571 -12.344 3.469 1.00 41.43 C ATOM 157 CG LYS A 11 -1.103 -13.471 2.582 1.00 61.10 C ATOM 158 CD LYS A 11 -0.015 -14.480 2.211 1.00 64.02 C ATOM 159 CE LYS A 11 -0.606 -15.739 1.580 1.00 13.03 C ATOM 160 NZ LYS A 11 0.409 -16.813 1.415 1.00 11.13 N ATOM 0 H LYS A 11 -0.058 -10.403 4.920 1.00 25.34 H new ATOM 0 HA LYS A 11 -2.275 -11.028 3.317 1.00 42.32 H new ATOM 0 HB2 LYS A 11 0.081 -11.703 2.875 1.00 41.43 H new ATOM 0 HB3 LYS A 11 0.042 -12.776 4.260 1.00 41.43 H new ATOM 0 HG2 LYS A 11 -1.912 -13.986 3.099 1.00 61.10 H new ATOM 0 HG3 LYS A 11 -1.526 -13.045 1.672 1.00 61.10 H new ATOM 0 HD2 LYS A 11 0.687 -14.019 1.516 1.00 64.02 H new ATOM 0 HD3 LYS A 11 0.550 -14.750 3.103 1.00 64.02 H new ATOM 0 HE2 LYS A 11 -1.423 -16.106 2.201 1.00 13.03 H new ATOM 0 HE3 LYS A 11 -1.032 -15.491 0.608 1.00 13.03 H new ATOM 0 HZ1 LYS A 11 0.352 -17.199 0.451 1.00 11.13 H new ATOM 0 HZ2 LYS A 11 1.359 -16.421 1.576 1.00 11.13 H new ATOM 0 HZ3 LYS A 11 0.227 -17.571 2.103 1.00 11.13 H new ATOM 174 N SER A 12 -2.128 -12.701 6.167 1.00 74.05 N ATOM 175 CA SER A 12 -2.909 -13.529 7.099 1.00 2.52 C ATOM 176 C SER A 12 -4.111 -12.743 7.620 1.00 12.54 C ATOM 177 O SER A 12 -5.205 -13.274 7.778 1.00 64.04 O ATOM 178 CB SER A 12 -2.048 -13.990 8.285 1.00 12.51 C ATOM 179 OG SER A 12 -0.894 -14.699 7.857 1.00 22.35 O ATOM 0 H SER A 12 -1.215 -12.417 6.522 1.00 74.05 H new ATOM 0 HA SER A 12 -3.254 -14.409 6.556 1.00 2.52 H new ATOM 0 HB2 SER A 12 -1.745 -13.123 8.872 1.00 12.51 H new ATOM 0 HB3 SER A 12 -2.643 -14.626 8.940 1.00 12.51 H new ATOM 0 HG SER A 12 -0.267 -14.077 7.432 1.00 22.35 H new ATOM 185 N ARG A 13 -3.888 -11.464 7.878 1.00 60.12 N ATOM 186 CA ARG A 13 -4.947 -10.551 8.294 1.00 14.34 C ATOM 187 C ARG A 13 -5.984 -10.332 7.171 1.00 14.14 C ATOM 188 O ARG A 13 -7.148 -10.025 7.438 1.00 2.43 O ATOM 189 CB ARG A 13 -4.314 -9.226 8.758 1.00 74.32 C ATOM 190 CG ARG A 13 -5.188 -7.997 8.566 1.00 53.23 C ATOM 191 CD ARG A 13 -4.665 -6.799 9.357 1.00 13.41 C ATOM 192 NE ARG A 13 -4.709 -7.050 10.799 1.00 11.21 N ATOM 193 CZ ARG A 13 -4.250 -6.237 11.710 1.00 70.23 C ATOM 194 NH1 ARG A 13 -3.724 -5.100 11.387 1.00 74.32 N ATOM 195 NH2 ARG A 13 -4.337 -6.561 12.956 1.00 33.11 N ATOM 0 H ARG A 13 -2.969 -11.027 7.806 1.00 60.12 H new ATOM 0 HA ARG A 13 -5.493 -10.992 9.128 1.00 14.34 H new ATOM 0 HB2 ARG A 13 -4.060 -9.312 9.815 1.00 74.32 H new ATOM 0 HB3 ARG A 13 -3.380 -9.077 8.217 1.00 74.32 H new ATOM 0 HG2 ARG A 13 -5.230 -7.743 7.507 1.00 53.23 H new ATOM 0 HG3 ARG A 13 -6.207 -8.223 8.880 1.00 53.23 H new ATOM 0 HD2 ARG A 13 -3.640 -6.581 9.055 1.00 13.41 H new ATOM 0 HD3 ARG A 13 -5.261 -5.917 9.121 1.00 13.41 H new ATOM 0 HE ARG A 13 -5.129 -7.924 11.114 1.00 11.21 H new ATOM 0 HH11 ARG A 13 -3.663 -4.827 10.406 1.00 74.32 H new ATOM 0 HH12 ARG A 13 -3.370 -4.477 12.113 1.00 74.32 H new ATOM 0 HH21 ARG A 13 -4.763 -7.448 13.224 1.00 33.11 H new ATOM 0 HH22 ARG A 13 -3.980 -5.930 13.673 1.00 33.11 H new ATOM 209 N LEU A 14 -5.557 -10.480 5.918 1.00 32.12 N ATOM 210 CA LEU A 14 -6.466 -10.376 4.773 1.00 43.32 C ATOM 211 C LEU A 14 -7.300 -11.665 4.597 1.00 74.34 C ATOM 212 O LEU A 14 -8.529 -11.627 4.635 1.00 74.00 O ATOM 213 CB LEU A 14 -5.649 -10.092 3.495 1.00 33.25 C ATOM 214 CG LEU A 14 -6.379 -9.300 2.396 1.00 55.01 C ATOM 215 CD1 LEU A 14 -5.426 -8.957 1.256 1.00 51.13 C ATOM 216 CD2 LEU A 14 -7.595 -10.056 1.864 1.00 14.11 C ATOM 0 H LEU A 14 -4.587 -10.672 5.668 1.00 32.12 H new ATOM 0 HA LEU A 14 -7.160 -9.556 4.956 1.00 43.32 H new ATOM 0 HB2 LEU A 14 -4.750 -9.543 3.776 1.00 33.25 H new ATOM 0 HB3 LEU A 14 -5.324 -11.044 3.075 1.00 33.25 H new ATOM 0 HG LEU A 14 -6.737 -8.374 2.846 1.00 55.01 H new ATOM 0 HD11 LEU A 14 -5.962 -8.397 0.490 1.00 51.13 H new ATOM 0 HD12 LEU A 14 -4.604 -8.352 1.639 1.00 51.13 H new ATOM 0 HD13 LEU A 14 -5.030 -9.876 0.824 1.00 51.13 H new ATOM 0 HD21 LEU A 14 -8.082 -9.463 1.090 1.00 14.11 H new ATOM 0 HD22 LEU A 14 -7.275 -11.009 1.443 1.00 14.11 H new ATOM 0 HD23 LEU A 14 -8.296 -10.236 2.679 1.00 14.11 H new ATOM 228 N GLU A 15 -6.620 -12.802 4.426 1.00 24.42 N ATOM 229 CA GLU A 15 -7.292 -14.084 4.143 1.00 35.52 C ATOM 230 C GLU A 15 -7.924 -14.710 5.398 1.00 31.00 C ATOM 231 O GLU A 15 -8.991 -15.319 5.328 1.00 44.01 O ATOM 232 CB GLU A 15 -6.300 -15.073 3.506 1.00 42.21 C ATOM 233 CG GLU A 15 -5.823 -14.658 2.116 1.00 21.24 C ATOM 234 CD GLU A 15 -4.831 -15.644 1.506 1.00 70.23 C ATOM 235 OE1 GLU A 15 -5.134 -16.860 1.466 1.00 63.54 O ATOM 236 OE2 GLU A 15 -3.745 -15.216 1.068 1.00 51.15 O ATOM 0 H GLU A 15 -5.603 -12.866 4.478 1.00 24.42 H new ATOM 0 HA GLU A 15 -8.102 -13.872 3.445 1.00 35.52 H new ATOM 0 HB2 GLU A 15 -5.435 -15.178 4.161 1.00 42.21 H new ATOM 0 HB3 GLU A 15 -6.771 -16.054 3.441 1.00 42.21 H new ATOM 0 HG2 GLU A 15 -6.685 -14.563 1.456 1.00 21.24 H new ATOM 0 HG3 GLU A 15 -5.358 -13.674 2.176 1.00 21.24 H new ATOM 243 N TRP A 16 -7.257 -14.570 6.539 1.00 54.12 N ATOM 244 CA TRP A 16 -7.741 -15.148 7.807 1.00 60.21 C ATOM 245 C TRP A 16 -8.349 -14.082 8.732 1.00 12.11 C ATOM 246 O TRP A 16 -8.740 -14.380 9.860 1.00 70.33 O ATOM 247 CB TRP A 16 -6.590 -15.855 8.539 1.00 54.15 C ATOM 248 CG TRP A 16 -5.984 -16.991 7.767 1.00 22.15 C ATOM 249 CD1 TRP A 16 -5.218 -16.900 6.642 1.00 23.32 C ATOM 250 CD2 TRP A 16 -6.087 -18.387 8.070 1.00 64.30 C ATOM 251 NE1 TRP A 16 -4.846 -18.153 6.223 1.00 51.42 N ATOM 252 CE2 TRP A 16 -5.365 -19.083 7.084 1.00 51.21 C ATOM 253 CE3 TRP A 16 -6.721 -19.115 9.081 1.00 14.44 C ATOM 254 CZ2 TRP A 16 -5.264 -20.473 7.075 1.00 22.11 C ATOM 255 CZ3 TRP A 16 -6.619 -20.493 9.074 1.00 32.22 C ATOM 256 CH2 TRP A 16 -5.893 -21.160 8.077 1.00 65.14 C ATOM 0 H TRP A 16 -6.377 -14.062 6.621 1.00 54.12 H new ATOM 0 HA TRP A 16 -8.523 -15.865 7.556 1.00 60.21 H new ATOM 0 HB2 TRP A 16 -5.812 -15.125 8.763 1.00 54.15 H new ATOM 0 HB3 TRP A 16 -6.957 -16.232 9.493 1.00 54.15 H new ATOM 0 HD1 TRP A 16 -4.944 -15.977 6.153 1.00 23.32 H new ATOM 0 HE1 TRP A 16 -4.275 -18.358 5.403 1.00 51.42 H new ATOM 0 HE3 TRP A 16 -7.281 -18.609 9.854 1.00 14.44 H new ATOM 0 HZ2 TRP A 16 -4.709 -20.989 6.305 1.00 22.11 H new ATOM 0 HZ3 TRP A 16 -7.106 -21.066 9.849 1.00 32.22 H new ATOM 0 HH2 TRP A 16 -5.829 -22.238 8.101 1.00 65.14 H new ATOM 267 N GLY A 17 -8.429 -12.845 8.254 1.00 72.30 N ATOM 268 CA GLY A 17 -8.927 -11.753 9.088 1.00 44.15 C ATOM 269 C GLY A 17 -10.168 -11.071 8.520 1.00 63.32 C ATOM 270 O GLY A 17 -11.229 -11.691 8.408 1.00 51.41 O ATOM 0 H GLY A 17 -8.160 -12.574 7.308 1.00 72.30 H new ATOM 0 HA2 GLY A 17 -9.157 -12.140 10.081 1.00 44.15 H new ATOM 0 HA3 GLY A 17 -8.138 -11.011 9.210 1.00 44.15 H new ATOM 274 N GLU A 18 -10.034 -9.798 8.152 1.00 3.32 N ATOM 275 CA GLU A 18 -11.171 -9.000 7.671 1.00 70.51 C ATOM 276 C GLU A 18 -10.689 -7.842 6.773 1.00 50.33 C ATOM 277 O GLU A 18 -9.952 -6.966 7.227 1.00 13.43 O ATOM 278 CB GLU A 18 -11.966 -8.443 8.869 1.00 71.03 C ATOM 279 CG GLU A 18 -13.286 -7.767 8.494 1.00 43.10 C ATOM 280 CD GLU A 18 -14.331 -8.743 7.966 1.00 24.53 C ATOM 281 OE1 GLU A 18 -14.765 -9.630 8.730 1.00 43.00 O ATOM 282 OE2 GLU A 18 -14.746 -8.614 6.792 1.00 74.30 O ATOM 0 H GLU A 18 -9.149 -9.292 8.176 1.00 3.32 H new ATOM 0 HA GLU A 18 -11.819 -9.646 7.078 1.00 70.51 H new ATOM 0 HB2 GLU A 18 -12.174 -9.258 9.562 1.00 71.03 H new ATOM 0 HB3 GLU A 18 -11.342 -7.724 9.400 1.00 71.03 H new ATOM 0 HG2 GLU A 18 -13.686 -7.255 9.369 1.00 43.10 H new ATOM 0 HG3 GLU A 18 -13.095 -7.005 7.738 1.00 43.10 H new ATOM 289 N PRO A 19 -11.098 -7.817 5.487 1.00 40.40 N ATOM 290 CA PRO A 19 -10.678 -6.778 4.518 1.00 12.31 C ATOM 291 C PRO A 19 -11.334 -5.396 4.751 1.00 45.30 C ATOM 292 O PRO A 19 -11.790 -4.749 3.806 1.00 52.40 O ATOM 293 CB PRO A 19 -11.118 -7.359 3.153 1.00 42.11 C ATOM 294 CG PRO A 19 -11.518 -8.777 3.423 1.00 12.12 C ATOM 295 CD PRO A 19 -11.977 -8.811 4.853 1.00 60.42 C ATOM 0 HA PRO A 19 -9.609 -6.580 4.602 1.00 12.31 H new ATOM 0 HB2 PRO A 19 -11.949 -6.791 2.736 1.00 42.11 H new ATOM 0 HB3 PRO A 19 -10.305 -7.313 2.428 1.00 42.11 H new ATOM 0 HG2 PRO A 19 -12.315 -9.093 2.750 1.00 12.12 H new ATOM 0 HG3 PRO A 19 -10.680 -9.456 3.266 1.00 12.12 H new ATOM 0 HD2 PRO A 19 -13.029 -8.544 4.949 1.00 60.42 H new ATOM 0 HD3 PRO A 19 -11.858 -9.800 5.295 1.00 60.42 H new ATOM 303 N ALA A 20 -11.350 -4.933 6.002 1.00 34.32 N ATOM 304 CA ALA A 20 -11.893 -3.607 6.342 1.00 51.12 C ATOM 305 C ALA A 20 -10.858 -2.492 6.093 1.00 62.52 C ATOM 306 O ALA A 20 -11.175 -1.301 6.151 1.00 3.44 O ATOM 307 CB ALA A 20 -12.349 -3.591 7.800 1.00 63.30 C ATOM 0 H ALA A 20 -10.993 -5.455 6.802 1.00 34.32 H new ATOM 0 HA ALA A 20 -12.748 -3.415 5.694 1.00 51.12 H new ATOM 0 HB1 ALA A 20 -12.750 -2.607 8.045 1.00 63.30 H new ATOM 0 HB2 ALA A 20 -13.122 -4.345 7.948 1.00 63.30 H new ATOM 0 HB3 ALA A 20 -11.501 -3.809 8.449 1.00 63.30 H new ATOM 313 N PHE A 21 -9.621 -2.894 5.815 1.00 14.41 N ATOM 314 CA PHE A 21 -8.518 -1.952 5.577 1.00 43.42 C ATOM 315 C PHE A 21 -8.333 -1.655 4.077 1.00 30.23 C ATOM 316 O PHE A 21 -8.753 -2.431 3.217 1.00 25.32 O ATOM 317 CB PHE A 21 -7.215 -2.512 6.168 1.00 23.45 C ATOM 318 CG PHE A 21 -6.851 -3.891 5.663 1.00 51.22 C ATOM 319 CD1 PHE A 21 -7.301 -5.027 6.323 1.00 1.20 C ATOM 320 CD2 PHE A 21 -6.064 -4.053 4.528 1.00 31.11 C ATOM 321 CE1 PHE A 21 -6.977 -6.289 5.862 1.00 22.41 C ATOM 322 CE2 PHE A 21 -5.737 -5.315 4.066 1.00 74.13 C ATOM 323 CZ PHE A 21 -6.195 -6.433 4.735 1.00 21.23 C ATOM 0 H PHE A 21 -9.350 -3.875 5.747 1.00 14.41 H new ATOM 0 HA PHE A 21 -8.770 -1.013 6.071 1.00 43.42 H new ATOM 0 HB2 PHE A 21 -6.400 -1.826 5.938 1.00 23.45 H new ATOM 0 HB3 PHE A 21 -7.306 -2.547 7.254 1.00 23.45 H new ATOM 0 HD1 PHE A 21 -7.912 -4.923 7.208 1.00 1.20 H new ATOM 0 HD2 PHE A 21 -5.704 -3.182 4.001 1.00 31.11 H new ATOM 0 HE1 PHE A 21 -7.336 -7.163 6.385 1.00 22.41 H new ATOM 0 HE2 PHE A 21 -5.124 -5.426 3.183 1.00 74.13 H new ATOM 0 HZ PHE A 21 -5.941 -7.419 4.376 1.00 21.23 H new ATOM 333 N THR A 22 -7.697 -0.525 3.772 1.00 1.44 N ATOM 334 CA THR A 22 -7.474 -0.103 2.377 1.00 15.12 C ATOM 335 C THR A 22 -5.981 -0.099 2.016 1.00 40.41 C ATOM 336 O THR A 22 -5.191 0.614 2.626 1.00 53.13 O ATOM 337 CB THR A 22 -8.054 1.311 2.120 1.00 50.12 C ATOM 338 OG1 THR A 22 -9.452 1.340 2.449 1.00 10.21 O ATOM 339 CG2 THR A 22 -7.863 1.733 0.664 1.00 72.14 C ATOM 0 H THR A 22 -7.324 0.120 4.468 1.00 1.44 H new ATOM 0 HA THR A 22 -7.989 -0.829 1.748 1.00 15.12 H new ATOM 0 HB THR A 22 -7.514 2.013 2.756 1.00 50.12 H new ATOM 0 HG1 THR A 22 -9.808 2.238 2.285 1.00 10.21 H new ATOM 0 HG21 THR A 22 -8.280 2.729 0.516 1.00 72.14 H new ATOM 0 HG22 THR A 22 -6.799 1.746 0.425 1.00 72.14 H new ATOM 0 HG23 THR A 22 -8.373 1.025 0.010 1.00 72.14 H new ATOM 347 N ILE A 23 -5.598 -0.893 1.015 1.00 73.04 N ATOM 348 CA ILE A 23 -4.198 -0.955 0.561 1.00 63.10 C ATOM 349 C ILE A 23 -3.937 0.020 -0.602 1.00 33.21 C ATOM 350 O ILE A 23 -4.673 0.031 -1.589 1.00 22.51 O ATOM 351 CB ILE A 23 -3.807 -2.392 0.119 1.00 61.45 C ATOM 352 CG1 ILE A 23 -3.936 -3.371 1.299 1.00 2.13 C ATOM 353 CG2 ILE A 23 -2.385 -2.416 -0.451 1.00 21.35 C ATOM 354 CD1 ILE A 23 -3.599 -4.807 0.949 1.00 2.52 C ATOM 0 H ILE A 23 -6.233 -1.503 0.500 1.00 73.04 H new ATOM 0 HA ILE A 23 -3.582 -0.664 1.412 1.00 63.10 H new ATOM 0 HB ILE A 23 -4.493 -2.708 -0.667 1.00 61.45 H new ATOM 0 HG12 ILE A 23 -3.280 -3.041 2.105 1.00 2.13 H new ATOM 0 HG13 ILE A 23 -4.956 -3.331 1.681 1.00 2.13 H new ATOM 0 HG21 ILE A 23 -2.132 -3.432 -0.754 1.00 21.35 H new ATOM 0 HG22 ILE A 23 -2.328 -1.754 -1.315 1.00 21.35 H new ATOM 0 HG23 ILE A 23 -1.682 -2.079 0.311 1.00 21.35 H new ATOM 0 HD11 ILE A 23 -3.714 -5.434 1.833 1.00 2.52 H new ATOM 0 HD12 ILE A 23 -4.271 -5.158 0.166 1.00 2.52 H new ATOM 0 HD13 ILE A 23 -2.569 -4.863 0.596 1.00 2.52 H new ATOM 366 N LEU A 24 -2.882 0.829 -0.484 1.00 43.15 N ATOM 367 CA LEU A 24 -2.524 1.798 -1.531 1.00 40.53 C ATOM 368 C LEU A 24 -1.212 1.427 -2.234 1.00 74.12 C ATOM 369 O LEU A 24 -0.198 1.149 -1.585 1.00 62.31 O ATOM 370 CB LEU A 24 -2.403 3.214 -0.950 1.00 62.24 C ATOM 371 CG LEU A 24 -3.679 3.774 -0.308 1.00 50.42 C ATOM 372 CD1 LEU A 24 -3.474 5.225 0.121 1.00 42.32 C ATOM 373 CD2 LEU A 24 -4.862 3.652 -1.261 1.00 3.43 C ATOM 0 H LEU A 24 -2.259 0.835 0.324 1.00 43.15 H new ATOM 0 HA LEU A 24 -3.328 1.773 -2.267 1.00 40.53 H new ATOM 0 HB2 LEU A 24 -1.610 3.215 -0.202 1.00 62.24 H new ATOM 0 HB3 LEU A 24 -2.091 3.890 -1.746 1.00 62.24 H new ATOM 0 HG LEU A 24 -3.900 3.185 0.582 1.00 50.42 H new ATOM 0 HD11 LEU A 24 -4.390 5.603 0.574 1.00 42.32 H new ATOM 0 HD12 LEU A 24 -2.662 5.279 0.846 1.00 42.32 H new ATOM 0 HD13 LEU A 24 -3.223 5.830 -0.750 1.00 42.32 H new ATOM 0 HD21 LEU A 24 -5.756 4.055 -0.785 1.00 3.43 H new ATOM 0 HD22 LEU A 24 -4.653 4.211 -2.173 1.00 3.43 H new ATOM 0 HD23 LEU A 24 -5.024 2.603 -1.507 1.00 3.43 H new ATOM 385 N ASP A 25 -1.243 1.435 -3.562 1.00 24.35 N ATOM 386 CA ASP A 25 -0.062 1.165 -4.382 1.00 42.24 C ATOM 387 C ASP A 25 0.649 2.478 -4.745 1.00 35.13 C ATOM 388 O ASP A 25 0.195 3.206 -5.627 1.00 33.35 O ATOM 389 CB ASP A 25 -0.494 0.439 -5.657 1.00 42.30 C ATOM 390 CG ASP A 25 0.660 -0.200 -6.402 1.00 23.14 C ATOM 391 OD1 ASP A 25 1.645 0.498 -6.730 1.00 14.43 O ATOM 392 OD2 ASP A 25 0.585 -1.413 -6.661 1.00 2.52 O ATOM 0 H ASP A 25 -2.086 1.628 -4.103 1.00 24.35 H new ATOM 0 HA ASP A 25 0.632 0.541 -3.819 1.00 42.24 H new ATOM 0 HB2 ASP A 25 -1.222 -0.330 -5.400 1.00 42.30 H new ATOM 0 HB3 ASP A 25 -0.997 1.146 -6.317 1.00 42.30 H new ATOM 397 N VAL A 26 1.761 2.774 -4.075 1.00 24.53 N ATOM 398 CA VAL A 26 2.451 4.055 -4.271 1.00 34.13 C ATOM 399 C VAL A 26 3.645 3.948 -5.230 1.00 62.13 C ATOM 400 O VAL A 26 4.405 4.904 -5.393 1.00 60.32 O ATOM 401 CB VAL A 26 2.910 4.652 -2.918 1.00 1.14 C ATOM 402 CG1 VAL A 26 1.696 4.955 -2.042 1.00 1.31 C ATOM 403 CG2 VAL A 26 3.882 3.709 -2.205 1.00 32.03 C ATOM 0 H VAL A 26 2.203 2.153 -3.397 1.00 24.53 H new ATOM 0 HA VAL A 26 1.724 4.725 -4.731 1.00 34.13 H new ATOM 0 HB VAL A 26 3.440 5.585 -3.110 1.00 1.14 H new ATOM 0 HG11 VAL A 26 2.028 5.375 -1.092 1.00 1.31 H new ATOM 0 HG12 VAL A 26 1.051 5.672 -2.550 1.00 1.31 H new ATOM 0 HG13 VAL A 26 1.141 4.035 -1.858 1.00 1.31 H new ATOM 0 HG21 VAL A 26 4.189 4.152 -1.257 1.00 32.03 H new ATOM 0 HG22 VAL A 26 3.391 2.754 -2.017 1.00 32.03 H new ATOM 0 HG23 VAL A 26 4.759 3.549 -2.832 1.00 32.03 H new ATOM 413 N ARG A 27 3.795 2.801 -5.888 1.00 64.45 N ATOM 414 CA ARG A 27 4.862 2.625 -6.882 1.00 14.54 C ATOM 415 C ARG A 27 4.600 3.511 -8.105 1.00 2.33 C ATOM 416 O ARG A 27 5.377 4.417 -8.412 1.00 24.12 O ATOM 417 CB ARG A 27 4.947 1.163 -7.334 1.00 70.24 C ATOM 418 CG ARG A 27 5.279 0.175 -6.223 1.00 2.01 C ATOM 419 CD ARG A 27 5.064 -1.259 -6.689 1.00 45.45 C ATOM 420 NE ARG A 27 3.703 -1.459 -7.141 1.00 43.51 N ATOM 421 CZ ARG A 27 3.366 -2.295 -8.068 1.00 71.51 C ATOM 422 NH1 ARG A 27 4.232 -3.101 -8.588 1.00 53.22 N ATOM 423 NH2 ARG A 27 2.154 -2.328 -8.472 1.00 24.53 N ATOM 0 H ARG A 27 3.199 1.984 -5.756 1.00 64.45 H new ATOM 0 HA ARG A 27 5.805 2.912 -6.416 1.00 14.54 H new ATOM 0 HB2 ARG A 27 3.995 0.879 -7.783 1.00 70.24 H new ATOM 0 HB3 ARG A 27 5.704 1.081 -8.114 1.00 70.24 H new ATOM 0 HG2 ARG A 27 6.314 0.308 -5.910 1.00 2.01 H new ATOM 0 HG3 ARG A 27 4.654 0.376 -5.353 1.00 2.01 H new ATOM 0 HD2 ARG A 27 5.757 -1.490 -7.498 1.00 45.45 H new ATOM 0 HD3 ARG A 27 5.285 -1.947 -5.873 1.00 45.45 H new ATOM 0 HE ARG A 27 2.966 -0.907 -6.702 1.00 43.51 H new ATOM 0 HH11 ARG A 27 5.200 -3.085 -8.268 1.00 53.22 H new ATOM 0 HH12 ARG A 27 3.947 -3.754 -9.318 1.00 53.22 H new ATOM 0 HH21 ARG A 27 1.463 -1.699 -8.064 1.00 24.53 H new ATOM 0 HH22 ARG A 27 1.878 -2.984 -9.203 1.00 24.53 H new ATOM 437 N ASP A 28 3.482 3.240 -8.784 1.00 74.30 N ATOM 438 CA ASP A 28 3.104 3.950 -10.011 1.00 43.13 C ATOM 439 C ASP A 28 1.765 3.432 -10.557 1.00 33.13 C ATOM 440 O ASP A 28 1.367 2.303 -10.286 1.00 22.52 O ATOM 441 CB ASP A 28 4.197 3.787 -11.079 1.00 34.23 C ATOM 442 CG ASP A 28 3.813 4.378 -12.422 1.00 52.11 C ATOM 443 OD1 ASP A 28 3.362 5.536 -12.466 1.00 3.41 O ATOM 444 OD2 ASP A 28 3.927 3.668 -13.439 1.00 64.50 O ATOM 0 H ASP A 28 2.814 2.524 -8.500 1.00 74.30 H new ATOM 0 HA ASP A 28 2.993 5.007 -9.767 1.00 43.13 H new ATOM 0 HB2 ASP A 28 5.113 4.263 -10.728 1.00 34.23 H new ATOM 0 HB3 ASP A 28 4.417 2.727 -11.205 1.00 34.23 H new ATOM 449 N ARG A 29 1.088 4.265 -11.342 1.00 1.02 N ATOM 450 CA ARG A 29 -0.166 3.884 -11.995 1.00 32.22 C ATOM 451 C ARG A 29 0.054 2.711 -12.977 1.00 61.44 C ATOM 452 O ARG A 29 -0.727 1.754 -13.015 1.00 75.14 O ATOM 453 CB ARG A 29 -0.743 5.108 -12.728 1.00 24.45 C ATOM 454 CG ARG A 29 -1.999 4.831 -13.553 1.00 53.24 C ATOM 455 CD ARG A 29 -3.187 4.373 -12.698 1.00 21.54 C ATOM 456 NE ARG A 29 -3.496 2.951 -12.885 1.00 12.22 N ATOM 457 CZ ARG A 29 -4.708 2.455 -12.857 1.00 70.04 C ATOM 458 NH1 ARG A 29 -5.733 3.226 -12.671 1.00 45.03 N ATOM 459 NH2 ARG A 29 -4.894 1.184 -13.023 1.00 2.40 N ATOM 0 H ARG A 29 1.389 5.218 -11.544 1.00 1.02 H new ATOM 0 HA ARG A 29 -0.875 3.547 -11.239 1.00 32.22 H new ATOM 0 HB2 ARG A 29 -0.972 5.879 -11.992 1.00 24.45 H new ATOM 0 HB3 ARG A 29 0.025 5.514 -13.387 1.00 24.45 H new ATOM 0 HG2 ARG A 29 -2.276 5.734 -14.097 1.00 53.24 H new ATOM 0 HG3 ARG A 29 -1.777 4.066 -14.297 1.00 53.24 H new ATOM 0 HD2 ARG A 29 -2.967 4.559 -11.647 1.00 21.54 H new ATOM 0 HD3 ARG A 29 -4.064 4.969 -12.951 1.00 21.54 H new ATOM 0 HE ARG A 29 -2.720 2.309 -13.047 1.00 12.22 H new ATOM 0 HH11 ARG A 29 -5.600 4.229 -12.545 1.00 45.03 H new ATOM 0 HH12 ARG A 29 -6.673 2.829 -12.651 1.00 45.03 H new ATOM 0 HH21 ARG A 29 -4.096 0.567 -13.176 1.00 2.40 H new ATOM 0 HH22 ARG A 29 -5.839 0.800 -13.001 1.00 2.40 H new ATOM 473 N SER A 30 1.145 2.778 -13.740 1.00 31.52 N ATOM 474 CA SER A 30 1.465 1.754 -14.741 1.00 40.01 C ATOM 475 C SER A 30 2.117 0.537 -14.081 1.00 3.30 C ATOM 476 O SER A 30 1.798 -0.604 -14.411 1.00 3.21 O ATOM 477 CB SER A 30 2.383 2.330 -15.828 1.00 33.32 C ATOM 478 OG SER A 30 1.838 3.518 -16.380 1.00 63.35 O ATOM 0 H SER A 30 1.827 3.534 -13.685 1.00 31.52 H new ATOM 0 HA SER A 30 0.534 1.433 -15.209 1.00 40.01 H new ATOM 0 HB2 SER A 30 3.366 2.539 -15.405 1.00 33.32 H new ATOM 0 HB3 SER A 30 2.526 1.591 -16.617 1.00 33.32 H new ATOM 0 HG SER A 30 2.442 3.866 -17.069 1.00 63.35 H new ATOM 484 N THR A 31 3.026 0.788 -13.138 1.00 44.12 N ATOM 485 CA THR A 31 3.624 -0.289 -12.334 1.00 41.51 C ATOM 486 C THR A 31 2.538 -1.068 -11.581 1.00 12.03 C ATOM 487 O THR A 31 2.623 -2.290 -11.428 1.00 2.30 O ATOM 488 CB THR A 31 4.666 0.255 -11.323 1.00 3.24 C ATOM 489 OG1 THR A 31 5.640 1.063 -12.006 1.00 23.11 O ATOM 490 CG2 THR A 31 5.383 -0.882 -10.596 1.00 72.54 C ATOM 0 H THR A 31 3.366 1.722 -12.910 1.00 44.12 H new ATOM 0 HA THR A 31 4.137 -0.956 -13.026 1.00 41.51 H new ATOM 0 HB THR A 31 4.131 0.856 -10.588 1.00 3.24 H new ATOM 0 HG1 THR A 31 6.293 1.404 -11.360 1.00 23.11 H new ATOM 0 HG21 THR A 31 6.107 -0.466 -9.895 1.00 72.54 H new ATOM 0 HG22 THR A 31 4.654 -1.483 -10.052 1.00 72.54 H new ATOM 0 HG23 THR A 31 5.900 -1.509 -11.322 1.00 72.54 H new ATOM 498 N TYR A 32 1.508 -0.353 -11.118 1.00 43.42 N ATOM 499 CA TYR A 32 0.318 -0.990 -10.549 1.00 43.41 C ATOM 500 C TYR A 32 -0.288 -1.974 -11.552 1.00 31.53 C ATOM 501 O TYR A 32 -0.562 -3.126 -11.220 1.00 52.32 O ATOM 502 CB TYR A 32 -0.728 0.065 -10.154 1.00 41.01 C ATOM 503 CG TYR A 32 -2.069 -0.521 -9.729 1.00 24.42 C ATOM 504 CD1 TYR A 32 -2.306 -0.886 -8.408 1.00 42.12 C ATOM 505 CD2 TYR A 32 -3.097 -0.713 -10.651 1.00 23.44 C ATOM 506 CE1 TYR A 32 -3.517 -1.425 -8.019 1.00 60.25 C ATOM 507 CE2 TYR A 32 -4.311 -1.250 -10.268 1.00 64.13 C ATOM 508 CZ TYR A 32 -4.516 -1.605 -8.952 1.00 23.44 C ATOM 509 OH TYR A 32 -5.720 -2.149 -8.569 1.00 70.44 O ATOM 0 H TYR A 32 1.475 0.666 -11.126 1.00 43.42 H new ATOM 0 HA TYR A 32 0.618 -1.534 -9.654 1.00 43.41 H new ATOM 0 HB2 TYR A 32 -0.331 0.667 -9.337 1.00 41.01 H new ATOM 0 HB3 TYR A 32 -0.888 0.737 -10.997 1.00 41.01 H new ATOM 0 HD1 TYR A 32 -1.528 -0.745 -7.672 1.00 42.12 H new ATOM 0 HD2 TYR A 32 -2.942 -0.437 -11.683 1.00 23.44 H new ATOM 0 HE1 TYR A 32 -3.680 -1.704 -6.989 1.00 60.25 H new ATOM 0 HE2 TYR A 32 -5.096 -1.391 -10.996 1.00 64.13 H new ATOM 0 HH TYR A 32 -5.919 -1.887 -7.646 1.00 70.44 H new ATOM 519 N ASN A 33 -0.491 -1.513 -12.783 1.00 25.40 N ATOM 520 CA ASN A 33 -1.026 -2.373 -13.842 1.00 63.00 C ATOM 521 C ASN A 33 -0.124 -3.597 -14.080 1.00 63.12 C ATOM 522 O ASN A 33 -0.616 -4.723 -14.165 1.00 2.25 O ATOM 523 CB ASN A 33 -1.197 -1.577 -15.143 1.00 42.15 C ATOM 524 CG ASN A 33 -2.092 -0.364 -14.965 1.00 14.40 C ATOM 525 OD1 ASN A 33 -2.954 -0.327 -14.094 1.00 23.50 O ATOM 526 ND2 ASN A 33 -1.898 0.636 -15.796 1.00 50.32 N ATOM 0 H ASN A 33 -0.296 -0.555 -13.074 1.00 25.40 H new ATOM 0 HA ASN A 33 -2.002 -2.733 -13.517 1.00 63.00 H new ATOM 0 HB2 ASN A 33 -0.219 -1.254 -15.500 1.00 42.15 H new ATOM 0 HB3 ASN A 33 -1.618 -2.226 -15.911 1.00 42.15 H new ATOM 0 HD21 ASN A 33 -2.474 1.475 -15.727 1.00 50.32 H new ATOM 0 HD22 ASN A 33 -1.172 0.573 -16.509 1.00 50.32 H new ATOM 533 N ASP A 34 1.192 -3.379 -14.162 1.00 5.03 N ATOM 534 CA ASP A 34 2.145 -4.462 -14.412 1.00 73.14 C ATOM 535 C ASP A 34 2.073 -5.571 -13.341 1.00 41.12 C ATOM 536 O ASP A 34 1.977 -6.751 -13.678 1.00 51.23 O ATOM 537 CB ASP A 34 3.572 -3.900 -14.493 1.00 42.13 C ATOM 538 CG ASP A 34 3.774 -2.994 -15.697 1.00 12.42 C ATOM 539 OD1 ASP A 34 3.254 -3.320 -16.785 1.00 4.42 O ATOM 540 OD2 ASP A 34 4.475 -1.967 -15.574 1.00 41.42 O ATOM 0 H ASP A 34 1.621 -2.460 -14.058 1.00 5.03 H new ATOM 0 HA ASP A 34 1.873 -4.916 -15.365 1.00 73.14 H new ATOM 0 HB2 ASP A 34 3.792 -3.343 -13.582 1.00 42.13 H new ATOM 0 HB3 ASP A 34 4.282 -4.726 -14.541 1.00 42.13 H new ATOM 545 N GLY A 35 2.085 -5.201 -12.062 1.00 62.53 N ATOM 546 CA GLY A 35 1.929 -6.196 -11.000 1.00 11.30 C ATOM 547 C GLY A 35 1.577 -5.560 -9.668 1.00 45.52 C ATOM 548 O GLY A 35 2.243 -4.633 -9.252 1.00 53.12 O ATOM 0 H GLY A 35 2.199 -4.240 -11.739 1.00 62.53 H new ATOM 0 HA2 GLY A 35 1.150 -6.905 -11.280 1.00 11.30 H new ATOM 0 HA3 GLY A 35 2.854 -6.763 -10.897 1.00 11.30 H new ATOM 552 N HIS A 36 0.549 -6.061 -8.990 1.00 23.51 N ATOM 553 CA HIS A 36 0.047 -5.419 -7.765 1.00 64.41 C ATOM 554 C HIS A 36 -0.632 -6.423 -6.824 1.00 73.23 C ATOM 555 O HIS A 36 -0.984 -7.529 -7.232 1.00 65.44 O ATOM 556 CB HIS A 36 -0.948 -4.311 -8.133 1.00 53.40 C ATOM 557 CG HIS A 36 -2.110 -4.794 -8.956 1.00 54.30 C ATOM 558 ND1 HIS A 36 -2.046 -4.966 -10.324 1.00 33.00 N ATOM 559 CD2 HIS A 36 -3.372 -5.135 -8.602 1.00 73.40 C ATOM 560 CE1 HIS A 36 -3.208 -5.387 -10.775 1.00 23.21 C ATOM 561 NE2 HIS A 36 -4.030 -5.499 -9.753 1.00 2.34 N ATOM 0 H HIS A 36 0.045 -6.905 -9.261 1.00 23.51 H new ATOM 0 HA HIS A 36 0.904 -4.998 -7.240 1.00 64.41 H new ATOM 0 HB2 HIS A 36 -1.326 -3.855 -7.218 1.00 53.40 H new ATOM 0 HB3 HIS A 36 -0.423 -3.531 -8.684 1.00 53.40 H new ATOM 0 HD1 HIS A 36 -1.222 -4.793 -10.899 1.00 33.00 H new ATOM 0 HD2 HIS A 36 -3.784 -5.123 -7.604 1.00 73.40 H new ATOM 0 HE1 HIS A 36 -3.446 -5.603 -11.806 1.00 23.21 H new ATOM 570 N ILE A 37 -0.820 -6.024 -5.567 1.00 72.45 N ATOM 571 CA ILE A 37 -1.582 -6.832 -4.606 1.00 53.21 C ATOM 572 C ILE A 37 -3.048 -6.962 -5.053 1.00 23.10 C ATOM 573 O ILE A 37 -3.633 -6.015 -5.589 1.00 31.21 O ATOM 574 CB ILE A 37 -1.525 -6.225 -3.177 1.00 3.53 C ATOM 575 CG1 ILE A 37 -0.081 -6.257 -2.643 1.00 21.33 C ATOM 576 CG2 ILE A 37 -2.471 -6.960 -2.223 1.00 53.21 C ATOM 577 CD1 ILE A 37 0.070 -5.709 -1.236 1.00 22.43 C ATOM 0 H ILE A 37 -0.458 -5.149 -5.188 1.00 72.45 H new ATOM 0 HA ILE A 37 -1.123 -7.820 -4.577 1.00 53.21 H new ATOM 0 HB ILE A 37 -1.855 -5.188 -3.235 1.00 3.53 H new ATOM 0 HG12 ILE A 37 0.279 -7.285 -2.662 1.00 21.33 H new ATOM 0 HG13 ILE A 37 0.557 -5.683 -3.316 1.00 21.33 H new ATOM 0 HG21 ILE A 37 -2.408 -6.512 -1.231 1.00 53.21 H new ATOM 0 HG22 ILE A 37 -3.493 -6.882 -2.592 1.00 53.21 H new ATOM 0 HG23 ILE A 37 -2.186 -8.010 -2.165 1.00 53.21 H new ATOM 0 HD11 ILE A 37 1.116 -5.767 -0.933 1.00 22.43 H new ATOM 0 HD12 ILE A 37 -0.258 -4.670 -1.213 1.00 22.43 H new ATOM 0 HD13 ILE A 37 -0.539 -6.297 -0.549 1.00 22.43 H new ATOM 589 N MET A 38 -3.629 -8.141 -4.847 1.00 72.34 N ATOM 590 CA MET A 38 -5.005 -8.409 -5.272 1.00 33.10 C ATOM 591 C MET A 38 -6.020 -7.471 -4.593 1.00 32.33 C ATOM 592 O MET A 38 -6.171 -7.475 -3.370 1.00 54.35 O ATOM 593 CB MET A 38 -5.366 -9.870 -4.988 1.00 2.44 C ATOM 594 CG MET A 38 -6.806 -10.227 -5.337 1.00 4.24 C ATOM 595 SD MET A 38 -7.148 -11.992 -5.182 1.00 75.20 S ATOM 596 CE MET A 38 -6.010 -12.668 -6.392 1.00 34.21 C ATOM 0 H MET A 38 -3.170 -8.928 -4.388 1.00 72.34 H new ATOM 0 HA MET A 38 -5.057 -8.220 -6.344 1.00 33.10 H new ATOM 0 HB2 MET A 38 -4.694 -10.517 -5.552 1.00 2.44 H new ATOM 0 HB3 MET A 38 -5.196 -10.078 -3.932 1.00 2.44 H new ATOM 0 HG2 MET A 38 -7.481 -9.672 -4.685 1.00 4.24 H new ATOM 0 HG3 MET A 38 -7.017 -9.909 -6.358 1.00 4.24 H new ATOM 0 HE1 MET A 38 -6.488 -13.494 -6.919 1.00 34.21 H new ATOM 0 HE2 MET A 38 -5.735 -11.892 -7.107 1.00 34.21 H new ATOM 0 HE3 MET A 38 -5.114 -13.030 -5.887 1.00 34.21 H new ATOM 606 N GLY A 39 -6.708 -6.670 -5.406 1.00 50.50 N ATOM 607 CA GLY A 39 -7.749 -5.780 -4.893 1.00 23.34 C ATOM 608 C GLY A 39 -7.215 -4.522 -4.206 1.00 64.10 C ATOM 609 O GLY A 39 -7.870 -3.970 -3.320 1.00 71.43 O ATOM 0 H GLY A 39 -6.565 -6.619 -6.415 1.00 50.50 H new ATOM 0 HA2 GLY A 39 -8.396 -5.483 -5.718 1.00 23.34 H new ATOM 0 HA3 GLY A 39 -8.367 -6.332 -4.185 1.00 23.34 H new ATOM 613 N ALA A 40 -6.037 -4.058 -4.617 1.00 12.11 N ATOM 614 CA ALA A 40 -5.446 -2.836 -4.054 1.00 61.32 C ATOM 615 C ALA A 40 -5.947 -1.566 -4.774 1.00 42.10 C ATOM 616 O ALA A 40 -6.760 -1.634 -5.698 1.00 0.01 O ATOM 617 CB ALA A 40 -3.924 -2.911 -4.120 1.00 22.14 C ATOM 0 H ALA A 40 -5.470 -4.506 -5.337 1.00 12.11 H new ATOM 0 HA ALA A 40 -5.762 -2.768 -3.013 1.00 61.32 H new ATOM 0 HB1 ALA A 40 -3.496 -2.000 -3.700 1.00 22.14 H new ATOM 0 HB2 ALA A 40 -3.577 -3.772 -3.548 1.00 22.14 H new ATOM 0 HB3 ALA A 40 -3.609 -3.014 -5.159 1.00 22.14 H new ATOM 623 N MET A 41 -5.472 -0.406 -4.316 1.00 14.01 N ATOM 624 CA MET A 41 -5.782 0.885 -4.953 1.00 32.30 C ATOM 625 C MET A 41 -4.595 1.420 -5.760 1.00 0.53 C ATOM 626 O MET A 41 -3.443 1.268 -5.365 1.00 35.54 O ATOM 627 CB MET A 41 -6.154 1.912 -3.886 1.00 70.32 C ATOM 628 CG MET A 41 -7.503 1.669 -3.243 1.00 14.33 C ATOM 629 SD MET A 41 -8.874 2.150 -4.316 1.00 21.50 S ATOM 630 CE MET A 41 -8.569 3.911 -4.508 1.00 33.44 C ATOM 0 H MET A 41 -4.866 -0.330 -3.499 1.00 14.01 H new ATOM 0 HA MET A 41 -6.617 0.722 -5.634 1.00 32.30 H new ATOM 0 HB2 MET A 41 -5.388 1.910 -3.111 1.00 70.32 H new ATOM 0 HB3 MET A 41 -6.150 2.905 -4.335 1.00 70.32 H new ATOM 0 HG2 MET A 41 -7.597 0.613 -2.990 1.00 14.33 H new ATOM 0 HG3 MET A 41 -7.563 2.227 -2.309 1.00 14.33 H new ATOM 0 HE1 MET A 41 -9.512 4.453 -4.440 1.00 33.44 H new ATOM 0 HE2 MET A 41 -7.897 4.252 -3.720 1.00 33.44 H new ATOM 0 HE3 MET A 41 -8.113 4.097 -5.480 1.00 33.44 H new ATOM 640 N ALA A 42 -4.890 2.077 -6.878 1.00 14.23 N ATOM 641 CA ALA A 42 -3.851 2.683 -7.716 1.00 24.10 C ATOM 642 C ALA A 42 -3.622 4.156 -7.344 1.00 70.33 C ATOM 643 O ALA A 42 -4.325 5.045 -7.825 1.00 33.52 O ATOM 644 CB ALA A 42 -4.218 2.559 -9.192 1.00 63.42 C ATOM 0 H ALA A 42 -5.840 2.205 -7.228 1.00 14.23 H new ATOM 0 HA ALA A 42 -2.921 2.144 -7.538 1.00 24.10 H new ATOM 0 HB1 ALA A 42 -3.436 3.014 -9.801 1.00 63.42 H new ATOM 0 HB2 ALA A 42 -4.316 1.506 -9.455 1.00 63.42 H new ATOM 0 HB3 ALA A 42 -5.164 3.069 -9.376 1.00 63.42 H new ATOM 650 N MET A 43 -2.645 4.409 -6.478 1.00 12.40 N ATOM 651 CA MET A 43 -2.322 5.776 -6.057 1.00 34.44 C ATOM 652 C MET A 43 -0.817 6.044 -6.119 1.00 74.33 C ATOM 653 O MET A 43 -0.089 5.822 -5.153 1.00 14.11 O ATOM 654 CB MET A 43 -2.877 6.059 -4.656 1.00 51.34 C ATOM 655 CG MET A 43 -4.352 6.414 -4.680 1.00 51.41 C ATOM 656 SD MET A 43 -5.095 6.550 -3.050 1.00 54.01 S ATOM 657 CE MET A 43 -6.765 6.972 -3.530 1.00 1.11 C ATOM 0 H MET A 43 -2.062 3.689 -6.052 1.00 12.40 H new ATOM 0 HA MET A 43 -2.802 6.460 -6.757 1.00 34.44 H new ATOM 0 HB2 MET A 43 -2.727 5.183 -4.025 1.00 51.34 H new ATOM 0 HB3 MET A 43 -2.316 6.877 -4.204 1.00 51.34 H new ATOM 0 HG2 MET A 43 -4.479 7.360 -5.207 1.00 51.41 H new ATOM 0 HG3 MET A 43 -4.889 5.656 -5.251 1.00 51.41 H new ATOM 0 HE1 MET A 43 -7.472 6.406 -2.923 1.00 1.11 H new ATOM 0 HE2 MET A 43 -6.929 8.039 -3.378 1.00 1.11 H new ATOM 0 HE3 MET A 43 -6.914 6.728 -4.582 1.00 1.11 H new ATOM 667 N PRO A 44 -0.345 6.559 -7.267 1.00 63.40 N ATOM 668 CA PRO A 44 1.086 6.758 -7.511 1.00 42.32 C ATOM 669 C PRO A 44 1.658 7.842 -6.588 1.00 13.35 C ATOM 670 O PRO A 44 1.078 8.914 -6.451 1.00 75.21 O ATOM 671 CB PRO A 44 1.153 7.158 -8.998 1.00 12.52 C ATOM 672 CG PRO A 44 -0.212 7.662 -9.346 1.00 24.40 C ATOM 673 CD PRO A 44 -1.186 7.034 -8.380 1.00 73.23 C ATOM 0 HA PRO A 44 1.684 5.871 -7.301 1.00 42.32 H new ATOM 0 HB2 PRO A 44 1.908 7.927 -9.162 1.00 12.52 H new ATOM 0 HB3 PRO A 44 1.426 6.306 -9.620 1.00 12.52 H new ATOM 0 HG2 PRO A 44 -0.249 8.749 -9.276 1.00 24.40 H new ATOM 0 HG3 PRO A 44 -0.467 7.400 -10.373 1.00 24.40 H new ATOM 0 HD2 PRO A 44 -1.927 7.756 -8.038 1.00 73.23 H new ATOM 0 HD3 PRO A 44 -1.732 6.213 -8.844 1.00 73.23 H new ATOM 681 N ILE A 45 2.799 7.548 -5.961 1.00 41.20 N ATOM 682 CA ILE A 45 3.349 8.362 -4.862 1.00 33.33 C ATOM 683 C ILE A 45 3.304 9.890 -5.122 1.00 73.32 C ATOM 684 O ILE A 45 3.148 10.678 -4.188 1.00 22.21 O ATOM 685 CB ILE A 45 4.798 7.914 -4.542 1.00 5.44 C ATOM 686 CG1 ILE A 45 5.287 8.537 -3.227 1.00 45.03 C ATOM 687 CG2 ILE A 45 5.742 8.260 -5.695 1.00 14.02 C ATOM 688 CD1 ILE A 45 6.573 7.930 -2.710 1.00 51.11 C ATOM 0 H ILE A 45 3.373 6.738 -6.198 1.00 41.20 H new ATOM 0 HA ILE A 45 2.702 8.187 -4.003 1.00 33.33 H new ATOM 0 HB ILE A 45 4.797 6.831 -4.420 1.00 5.44 H new ATOM 0 HG12 ILE A 45 5.434 9.607 -3.374 1.00 45.03 H new ATOM 0 HG13 ILE A 45 4.511 8.423 -2.470 1.00 45.03 H new ATOM 0 HG21 ILE A 45 6.753 7.936 -5.447 1.00 14.02 H new ATOM 0 HG22 ILE A 45 5.410 7.753 -6.601 1.00 14.02 H new ATOM 0 HG23 ILE A 45 5.736 9.338 -5.859 1.00 14.02 H new ATOM 0 HD11 ILE A 45 6.858 8.419 -1.779 1.00 51.11 H new ATOM 0 HD12 ILE A 45 6.426 6.865 -2.530 1.00 51.11 H new ATOM 0 HD13 ILE A 45 7.363 8.068 -3.448 1.00 51.11 H new ATOM 700 N GLU A 46 3.412 10.299 -6.385 1.00 11.10 N ATOM 701 CA GLU A 46 3.349 11.724 -6.748 1.00 33.12 C ATOM 702 C GLU A 46 1.904 12.268 -6.720 1.00 51.13 C ATOM 703 O GLU A 46 1.668 13.404 -6.308 1.00 33.32 O ATOM 704 CB GLU A 46 3.987 11.949 -8.127 1.00 21.22 C ATOM 705 CG GLU A 46 3.387 11.109 -9.251 1.00 54.14 C ATOM 706 CD GLU A 46 4.103 11.322 -10.579 1.00 23.55 C ATOM 707 OE1 GLU A 46 5.120 10.643 -10.830 1.00 60.13 O ATOM 708 OE2 GLU A 46 3.666 12.182 -11.372 1.00 15.25 O ATOM 0 H GLU A 46 3.543 9.669 -7.177 1.00 11.10 H new ATOM 0 HA GLU A 46 3.914 12.279 -5.999 1.00 33.12 H new ATOM 0 HB2 GLU A 46 3.892 13.003 -8.389 1.00 21.22 H new ATOM 0 HB3 GLU A 46 5.053 11.732 -8.059 1.00 21.22 H new ATOM 0 HG2 GLU A 46 3.436 10.055 -8.979 1.00 54.14 H new ATOM 0 HG3 GLU A 46 2.332 11.360 -9.365 1.00 54.14 H new ATOM 715 N ASP A 47 0.941 11.455 -7.161 1.00 74.30 N ATOM 716 CA ASP A 47 -0.481 11.840 -7.132 1.00 13.12 C ATOM 717 C ASP A 47 -1.162 11.395 -5.827 1.00 51.31 C ATOM 718 O ASP A 47 -2.295 11.784 -5.548 1.00 41.12 O ATOM 719 CB ASP A 47 -1.229 11.223 -8.320 1.00 62.40 C ATOM 720 CG ASP A 47 -0.646 11.635 -9.655 1.00 3.24 C ATOM 721 OD1 ASP A 47 -0.825 12.803 -10.051 1.00 11.52 O ATOM 722 OD2 ASP A 47 -0.015 10.790 -10.318 1.00 44.34 O ATOM 0 H ASP A 47 1.115 10.525 -7.543 1.00 74.30 H new ATOM 0 HA ASP A 47 -0.520 12.928 -7.194 1.00 13.12 H new ATOM 0 HB2 ASP A 47 -1.202 10.137 -8.236 1.00 62.40 H new ATOM 0 HB3 ASP A 47 -2.277 11.520 -8.278 1.00 62.40 H new ATOM 727 N LEU A 48 -0.452 10.582 -5.043 1.00 24.25 N ATOM 728 CA LEU A 48 -0.989 9.970 -3.811 1.00 4.12 C ATOM 729 C LEU A 48 -1.789 10.960 -2.944 1.00 4.11 C ATOM 730 O LEU A 48 -2.949 10.708 -2.612 1.00 74.21 O ATOM 731 CB LEU A 48 0.170 9.386 -2.993 1.00 52.12 C ATOM 732 CG LEU A 48 -0.216 8.743 -1.651 1.00 1.11 C ATOM 733 CD1 LEU A 48 -1.102 7.520 -1.865 1.00 40.14 C ATOM 734 CD2 LEU A 48 1.033 8.379 -0.852 1.00 3.30 C ATOM 0 H LEU A 48 0.515 10.324 -5.239 1.00 24.25 H new ATOM 0 HA LEU A 48 -1.683 9.187 -4.114 1.00 4.12 H new ATOM 0 HB2 LEU A 48 0.678 8.637 -3.601 1.00 52.12 H new ATOM 0 HB3 LEU A 48 0.890 10.181 -2.800 1.00 52.12 H new ATOM 0 HG LEU A 48 -0.788 9.472 -1.077 1.00 1.11 H new ATOM 0 HD11 LEU A 48 -1.360 7.084 -0.900 1.00 40.14 H new ATOM 0 HD12 LEU A 48 -2.013 7.817 -2.385 1.00 40.14 H new ATOM 0 HD13 LEU A 48 -0.567 6.783 -2.464 1.00 40.14 H new ATOM 0 HD21 LEU A 48 0.740 7.925 0.095 1.00 3.30 H new ATOM 0 HD22 LEU A 48 1.636 7.672 -1.422 1.00 3.30 H new ATOM 0 HD23 LEU A 48 1.616 9.279 -0.658 1.00 3.30 H new ATOM 746 N VAL A 49 -1.168 12.083 -2.585 1.00 53.51 N ATOM 747 CA VAL A 49 -1.806 13.079 -1.712 1.00 74.14 C ATOM 748 C VAL A 49 -3.175 13.532 -2.257 1.00 34.43 C ATOM 749 O VAL A 49 -4.183 13.479 -1.550 1.00 45.20 O ATOM 750 CB VAL A 49 -0.896 14.318 -1.516 1.00 54.41 C ATOM 751 CG1 VAL A 49 -1.573 15.361 -0.626 1.00 74.42 C ATOM 752 CG2 VAL A 49 0.460 13.909 -0.939 1.00 45.43 C ATOM 0 H VAL A 49 -0.224 12.330 -2.883 1.00 53.51 H new ATOM 0 HA VAL A 49 -1.962 12.592 -0.750 1.00 74.14 H new ATOM 0 HB VAL A 49 -0.728 14.770 -2.494 1.00 54.41 H new ATOM 0 HG11 VAL A 49 -0.913 16.220 -0.505 1.00 74.42 H new ATOM 0 HG12 VAL A 49 -2.506 15.683 -1.088 1.00 74.42 H new ATOM 0 HG13 VAL A 49 -1.783 14.925 0.350 1.00 74.42 H new ATOM 0 HG21 VAL A 49 1.082 14.794 -0.810 1.00 45.43 H new ATOM 0 HG22 VAL A 49 0.313 13.424 0.026 1.00 45.43 H new ATOM 0 HG23 VAL A 49 0.952 13.216 -1.622 1.00 45.43 H new ATOM 762 N ASP A 50 -3.208 13.962 -3.517 1.00 71.11 N ATOM 763 CA ASP A 50 -4.452 14.421 -4.149 1.00 44.22 C ATOM 764 C ASP A 50 -5.472 13.275 -4.289 1.00 3.40 C ATOM 765 O ASP A 50 -6.647 13.436 -3.953 1.00 34.54 O ATOM 766 CB ASP A 50 -4.152 15.041 -5.518 1.00 41.34 C ATOM 767 CG ASP A 50 -5.410 15.518 -6.225 1.00 71.33 C ATOM 768 OD1 ASP A 50 -6.055 16.467 -5.724 1.00 31.14 O ATOM 769 OD2 ASP A 50 -5.770 14.943 -7.275 1.00 23.31 O ATOM 0 H ASP A 50 -2.389 14.004 -4.124 1.00 71.11 H new ATOM 0 HA ASP A 50 -4.895 15.180 -3.504 1.00 44.22 H new ATOM 0 HB2 ASP A 50 -3.469 15.881 -5.392 1.00 41.34 H new ATOM 0 HB3 ASP A 50 -3.643 14.307 -6.143 1.00 41.34 H new ATOM 774 N ARG A 51 -5.012 12.123 -4.785 1.00 43.23 N ATOM 775 CA ARG A 51 -5.873 10.941 -4.934 1.00 13.33 C ATOM 776 C ARG A 51 -6.590 10.605 -3.621 1.00 64.31 C ATOM 777 O ARG A 51 -7.819 10.523 -3.558 1.00 3.44 O ATOM 778 CB ARG A 51 -5.043 9.718 -5.351 1.00 65.21 C ATOM 779 CG ARG A 51 -4.433 9.773 -6.747 1.00 15.01 C ATOM 780 CD ARG A 51 -5.488 9.948 -7.832 1.00 50.53 C ATOM 781 NE ARG A 51 -5.689 11.359 -8.172 1.00 73.33 N ATOM 782 CZ ARG A 51 -5.173 11.939 -9.224 1.00 61.21 C ATOM 783 NH1 ARG A 51 -4.507 11.250 -10.098 1.00 2.44 N ATOM 784 NH2 ARG A 51 -5.332 13.210 -9.409 1.00 75.33 N ATOM 0 H ARG A 51 -4.049 11.981 -5.091 1.00 43.23 H new ATOM 0 HA ARG A 51 -6.610 11.177 -5.702 1.00 13.33 H new ATOM 0 HB2 ARG A 51 -4.238 9.586 -4.628 1.00 65.21 H new ATOM 0 HB3 ARG A 51 -5.677 8.834 -5.287 1.00 65.21 H new ATOM 0 HG2 ARG A 51 -3.722 10.598 -6.798 1.00 15.01 H new ATOM 0 HG3 ARG A 51 -3.872 8.857 -6.933 1.00 15.01 H new ATOM 0 HD2 ARG A 51 -5.187 9.398 -8.724 1.00 50.53 H new ATOM 0 HD3 ARG A 51 -6.431 9.517 -7.495 1.00 50.53 H new ATOM 0 HE ARG A 51 -6.267 11.924 -7.550 1.00 73.33 H new ATOM 0 HH11 ARG A 51 -4.382 10.246 -9.968 1.00 2.44 H new ATOM 0 HH12 ARG A 51 -4.108 11.712 -10.915 1.00 2.44 H new ATOM 0 HH21 ARG A 51 -5.861 13.762 -8.733 1.00 75.33 H new ATOM 0 HH22 ARG A 51 -4.928 13.660 -10.230 1.00 75.33 H new ATOM 798 N ALA A 52 -5.802 10.420 -2.570 1.00 11.21 N ATOM 799 CA ALA A 52 -6.326 10.025 -1.269 1.00 42.51 C ATOM 800 C ALA A 52 -7.189 11.129 -0.645 1.00 34.21 C ATOM 801 O ALA A 52 -8.295 10.867 -0.178 1.00 41.33 O ATOM 802 CB ALA A 52 -5.176 9.644 -0.349 1.00 42.22 C ATOM 0 H ALA A 52 -4.789 10.538 -2.594 1.00 11.21 H new ATOM 0 HA ALA A 52 -6.973 9.159 -1.408 1.00 42.51 H new ATOM 0 HB1 ALA A 52 -5.570 9.349 0.623 1.00 42.22 H new ATOM 0 HB2 ALA A 52 -4.623 8.812 -0.784 1.00 42.22 H new ATOM 0 HB3 ALA A 52 -4.510 10.498 -0.226 1.00 42.22 H new ATOM 808 N SER A 53 -6.690 12.362 -0.652 1.00 15.55 N ATOM 809 CA SER A 53 -7.430 13.504 -0.084 1.00 54.32 C ATOM 810 C SER A 53 -8.802 13.688 -0.752 1.00 15.32 C ATOM 811 O SER A 53 -9.764 14.128 -0.120 1.00 65.12 O ATOM 812 CB SER A 53 -6.615 14.797 -0.231 1.00 23.40 C ATOM 813 OG SER A 53 -7.292 15.906 0.339 1.00 33.31 O ATOM 0 H SER A 53 -5.779 12.604 -1.042 1.00 15.55 H new ATOM 0 HA SER A 53 -7.591 13.288 0.972 1.00 54.32 H new ATOM 0 HB2 SER A 53 -5.645 14.674 0.252 1.00 23.40 H new ATOM 0 HB3 SER A 53 -6.424 14.990 -1.287 1.00 23.40 H new ATOM 0 HG SER A 53 -6.747 16.713 0.231 1.00 33.31 H new ATOM 819 N SER A 54 -8.887 13.345 -2.035 1.00 13.41 N ATOM 820 CA SER A 54 -10.137 13.479 -2.800 1.00 44.53 C ATOM 821 C SER A 54 -11.041 12.241 -2.664 1.00 53.20 C ATOM 822 O SER A 54 -12.226 12.283 -3.011 1.00 11.30 O ATOM 823 CB SER A 54 -9.813 13.714 -4.283 1.00 70.30 C ATOM 824 OG SER A 54 -10.992 13.863 -5.065 1.00 1.21 O ATOM 0 H SER A 54 -8.106 12.970 -2.573 1.00 13.41 H new ATOM 0 HA SER A 54 -10.680 14.331 -2.390 1.00 44.53 H new ATOM 0 HB2 SER A 54 -9.196 14.607 -4.383 1.00 70.30 H new ATOM 0 HB3 SER A 54 -9.228 12.877 -4.664 1.00 70.30 H new ATOM 0 HG SER A 54 -11.764 13.536 -4.558 1.00 1.21 H new ATOM 830 N SER A 55 -10.489 11.143 -2.145 1.00 3.24 N ATOM 831 CA SER A 55 -11.203 9.853 -2.127 1.00 43.13 C ATOM 832 C SER A 55 -11.288 9.229 -0.723 1.00 60.14 C ATOM 833 O SER A 55 -12.376 8.964 -0.214 1.00 32.03 O ATOM 834 CB SER A 55 -10.514 8.864 -3.078 1.00 54.25 C ATOM 835 OG SER A 55 -10.413 9.394 -4.391 1.00 25.53 O ATOM 0 H SER A 55 -9.556 11.115 -1.733 1.00 3.24 H new ATOM 0 HA SER A 55 -12.223 10.056 -2.453 1.00 43.13 H new ATOM 0 HB2 SER A 55 -9.519 8.628 -2.702 1.00 54.25 H new ATOM 0 HB3 SER A 55 -11.075 7.930 -3.103 1.00 54.25 H new ATOM 0 HG SER A 55 -9.581 9.904 -4.475 1.00 25.53 H new ATOM 841 N LEU A 56 -10.140 8.981 -0.106 1.00 2.02 N ATOM 842 CA LEU A 56 -10.077 8.222 1.151 1.00 3.51 C ATOM 843 C LEU A 56 -10.340 9.086 2.396 1.00 1.13 C ATOM 844 O LEU A 56 -10.121 10.298 2.396 1.00 14.20 O ATOM 845 CB LEU A 56 -8.706 7.551 1.268 1.00 10.05 C ATOM 846 CG LEU A 56 -8.407 6.497 0.193 1.00 23.24 C ATOM 847 CD1 LEU A 56 -6.953 6.049 0.274 1.00 24.13 C ATOM 848 CD2 LEU A 56 -9.349 5.304 0.341 1.00 64.13 C ATOM 0 H LEU A 56 -9.233 9.293 -0.452 1.00 2.02 H new ATOM 0 HA LEU A 56 -10.871 7.476 1.115 1.00 3.51 H new ATOM 0 HB2 LEU A 56 -7.936 8.321 1.225 1.00 10.05 H new ATOM 0 HB3 LEU A 56 -8.631 7.080 2.248 1.00 10.05 H new ATOM 0 HG LEU A 56 -8.571 6.945 -0.787 1.00 23.24 H new ATOM 0 HD11 LEU A 56 -6.759 5.302 -0.495 1.00 24.13 H new ATOM 0 HD12 LEU A 56 -6.299 6.907 0.120 1.00 24.13 H new ATOM 0 HD13 LEU A 56 -6.759 5.617 1.256 1.00 24.13 H new ATOM 0 HD21 LEU A 56 -9.124 4.565 -0.428 1.00 64.13 H new ATOM 0 HD22 LEU A 56 -9.215 4.855 1.325 1.00 64.13 H new ATOM 0 HD23 LEU A 56 -10.380 5.639 0.232 1.00 64.13 H new ATOM 860 N GLU A 57 -10.804 8.433 3.463 1.00 71.44 N ATOM 861 CA GLU A 57 -11.049 9.087 4.753 1.00 33.03 C ATOM 862 C GLU A 57 -9.779 9.110 5.619 1.00 63.13 C ATOM 863 O GLU A 57 -9.042 8.125 5.678 1.00 62.23 O ATOM 864 CB GLU A 57 -12.173 8.348 5.493 1.00 51.42 C ATOM 865 CG GLU A 57 -12.424 8.843 6.910 1.00 35.42 C ATOM 866 CD GLU A 57 -13.539 8.081 7.606 1.00 5.22 C ATOM 867 OE1 GLU A 57 -13.296 6.941 8.050 1.00 3.31 O ATOM 868 OE2 GLU A 57 -14.665 8.615 7.707 1.00 33.23 O ATOM 0 H GLU A 57 -11.021 7.436 3.459 1.00 71.44 H new ATOM 0 HA GLU A 57 -11.344 10.119 4.565 1.00 33.03 H new ATOM 0 HB2 GLU A 57 -13.094 8.445 4.919 1.00 51.42 H new ATOM 0 HB3 GLU A 57 -11.930 7.286 5.530 1.00 51.42 H new ATOM 0 HG2 GLU A 57 -11.507 8.749 7.491 1.00 35.42 H new ATOM 0 HG3 GLU A 57 -12.676 9.903 6.881 1.00 35.42 H new ATOM 875 N LYS A 58 -9.545 10.223 6.316 1.00 30.51 N ATOM 876 CA LYS A 58 -8.338 10.390 7.143 1.00 63.43 C ATOM 877 C LYS A 58 -8.269 9.348 8.281 1.00 31.24 C ATOM 878 O LYS A 58 -7.183 9.004 8.765 1.00 72.31 O ATOM 879 CB LYS A 58 -8.290 11.811 7.735 1.00 34.42 C ATOM 880 CG LYS A 58 -8.427 12.933 6.703 1.00 54.10 C ATOM 881 CD LYS A 58 -7.289 12.937 5.684 1.00 41.24 C ATOM 882 CE LYS A 58 -7.481 14.014 4.617 1.00 61.14 C ATOM 883 NZ LYS A 58 -7.301 15.387 5.167 1.00 40.54 N ATOM 0 H LYS A 58 -10.174 11.026 6.327 1.00 30.51 H new ATOM 0 HA LYS A 58 -7.476 10.234 6.494 1.00 63.43 H new ATOM 0 HB2 LYS A 58 -9.088 11.912 8.471 1.00 34.42 H new ATOM 0 HB3 LYS A 58 -7.347 11.937 8.268 1.00 34.42 H new ATOM 0 HG2 LYS A 58 -9.377 12.826 6.180 1.00 54.10 H new ATOM 0 HG3 LYS A 58 -8.452 13.894 7.218 1.00 54.10 H new ATOM 0 HD2 LYS A 58 -6.342 13.101 6.198 1.00 41.24 H new ATOM 0 HD3 LYS A 58 -7.227 11.960 5.206 1.00 41.24 H new ATOM 0 HE2 LYS A 58 -6.769 13.852 3.807 1.00 61.14 H new ATOM 0 HE3 LYS A 58 -8.479 13.924 4.187 1.00 61.14 H new ATOM 0 HZ1 LYS A 58 -7.907 16.052 4.645 1.00 40.54 H new ATOM 0 HZ2 LYS A 58 -7.564 15.395 6.173 1.00 40.54 H new ATOM 0 HZ3 LYS A 58 -6.306 15.673 5.067 1.00 40.54 H new ATOM 897 N SER A 59 -9.429 8.844 8.701 1.00 54.33 N ATOM 898 CA SER A 59 -9.499 7.881 9.813 1.00 44.21 C ATOM 899 C SER A 59 -9.605 6.427 9.326 1.00 21.31 C ATOM 900 O SER A 59 -9.623 5.500 10.136 1.00 31.41 O ATOM 901 CB SER A 59 -10.676 8.214 10.740 1.00 32.32 C ATOM 902 OG SER A 59 -11.888 8.349 10.022 1.00 62.53 O ATOM 0 H SER A 59 -10.333 9.082 8.293 1.00 54.33 H new ATOM 0 HA SER A 59 -8.565 7.970 10.368 1.00 44.21 H new ATOM 0 HB2 SER A 59 -10.782 7.429 11.489 1.00 32.32 H new ATOM 0 HB3 SER A 59 -10.466 9.140 11.276 1.00 32.32 H new ATOM 0 HG SER A 59 -12.043 7.543 9.487 1.00 62.53 H new ATOM 908 N ARG A 60 -9.663 6.230 8.011 1.00 52.23 N ATOM 909 CA ARG A 60 -9.676 4.879 7.427 1.00 22.44 C ATOM 910 C ARG A 60 -8.315 4.183 7.615 1.00 0.44 C ATOM 911 O ARG A 60 -7.280 4.748 7.274 1.00 34.23 O ATOM 912 CB ARG A 60 -10.026 4.963 5.926 1.00 22.22 C ATOM 913 CG ARG A 60 -9.839 3.656 5.148 1.00 32.12 C ATOM 914 CD ARG A 60 -10.765 2.547 5.640 1.00 61.40 C ATOM 915 NE ARG A 60 -12.173 2.848 5.388 1.00 11.21 N ATOM 916 CZ ARG A 60 -13.135 1.962 5.435 1.00 0.52 C ATOM 917 NH1 ARG A 60 -12.886 0.727 5.727 1.00 54.41 N ATOM 918 NH2 ARG A 60 -14.355 2.325 5.194 1.00 71.13 N ATOM 0 H ARG A 60 -9.702 6.984 7.325 1.00 52.23 H new ATOM 0 HA ARG A 60 -10.433 4.288 7.943 1.00 22.44 H new ATOM 0 HB2 ARG A 60 -11.063 5.283 5.827 1.00 22.22 H new ATOM 0 HB3 ARG A 60 -9.409 5.735 5.466 1.00 22.22 H new ATOM 0 HG2 ARG A 60 -10.024 3.837 4.089 1.00 32.12 H new ATOM 0 HG3 ARG A 60 -8.804 3.328 5.239 1.00 32.12 H new ATOM 0 HD2 ARG A 60 -10.502 1.611 5.147 1.00 61.40 H new ATOM 0 HD3 ARG A 60 -10.613 2.397 6.709 1.00 61.40 H new ATOM 0 HE ARG A 60 -12.422 3.811 5.161 1.00 11.21 H new ATOM 0 HH11 ARG A 60 -11.930 0.432 5.924 1.00 54.41 H new ATOM 0 HH12 ARG A 60 -13.646 0.048 5.760 1.00 54.41 H new ATOM 0 HH21 ARG A 60 -14.563 3.298 4.969 1.00 71.13 H new ATOM 0 HH22 ARG A 60 -15.108 1.638 5.229 1.00 71.13 H new ATOM 932 N ASP A 61 -8.318 2.965 8.165 1.00 15.22 N ATOM 933 CA ASP A 61 -7.075 2.204 8.347 1.00 61.41 C ATOM 934 C ASP A 61 -6.464 1.799 6.992 1.00 24.33 C ATOM 935 O ASP A 61 -6.938 0.876 6.322 1.00 61.34 O ATOM 936 CB ASP A 61 -7.322 0.968 9.219 1.00 34.01 C ATOM 937 CG ASP A 61 -7.804 1.338 10.614 1.00 72.42 C ATOM 938 OD1 ASP A 61 -6.976 1.774 11.442 1.00 42.14 O ATOM 939 OD2 ASP A 61 -9.017 1.204 10.882 1.00 12.40 O ATOM 0 H ASP A 61 -9.158 2.487 8.490 1.00 15.22 H new ATOM 0 HA ASP A 61 -6.359 2.850 8.856 1.00 61.41 H new ATOM 0 HB2 ASP A 61 -8.062 0.328 8.738 1.00 34.01 H new ATOM 0 HB3 ASP A 61 -6.402 0.389 9.296 1.00 34.01 H new ATOM 944 N ILE A 62 -5.419 2.515 6.593 1.00 42.51 N ATOM 945 CA ILE A 62 -4.776 2.320 5.291 1.00 25.32 C ATOM 946 C ILE A 62 -3.406 1.628 5.413 1.00 34.35 C ATOM 947 O ILE A 62 -2.628 1.913 6.321 1.00 65.41 O ATOM 948 CB ILE A 62 -4.592 3.688 4.581 1.00 52.25 C ATOM 949 CG1 ILE A 62 -5.962 4.353 4.348 1.00 43.31 C ATOM 950 CG2 ILE A 62 -3.833 3.531 3.266 1.00 13.21 C ATOM 951 CD1 ILE A 62 -5.881 5.758 3.785 1.00 44.24 C ATOM 0 H ILE A 62 -4.991 3.247 7.160 1.00 42.51 H new ATOM 0 HA ILE A 62 -5.429 1.672 4.706 1.00 25.32 H new ATOM 0 HB ILE A 62 -3.997 4.332 5.228 1.00 52.25 H new ATOM 0 HG12 ILE A 62 -6.543 3.733 3.666 1.00 43.31 H new ATOM 0 HG13 ILE A 62 -6.505 4.383 5.293 1.00 43.31 H new ATOM 0 HG21 ILE A 62 -3.720 4.506 2.792 1.00 13.21 H new ATOM 0 HG22 ILE A 62 -2.848 3.107 3.463 1.00 13.21 H new ATOM 0 HG23 ILE A 62 -4.388 2.868 2.603 1.00 13.21 H new ATOM 0 HD11 ILE A 62 -6.887 6.155 3.650 1.00 44.24 H new ATOM 0 HD12 ILE A 62 -5.329 6.395 4.476 1.00 44.24 H new ATOM 0 HD13 ILE A 62 -5.368 5.736 2.823 1.00 44.24 H new ATOM 963 N TYR A 63 -3.124 0.715 4.486 1.00 1.24 N ATOM 964 CA TYR A 63 -1.807 0.075 4.383 1.00 24.10 C ATOM 965 C TYR A 63 -1.133 0.450 3.057 1.00 74.14 C ATOM 966 O TYR A 63 -1.667 0.188 1.980 1.00 53.54 O ATOM 967 CB TYR A 63 -1.929 -1.450 4.494 1.00 51.45 C ATOM 968 CG TYR A 63 -2.284 -1.930 5.887 1.00 35.41 C ATOM 969 CD1 TYR A 63 -3.603 -1.963 6.322 1.00 12.23 C ATOM 970 CD2 TYR A 63 -1.293 -2.354 6.767 1.00 41.41 C ATOM 971 CE1 TYR A 63 -3.925 -2.402 7.591 1.00 74.31 C ATOM 972 CE2 TYR A 63 -1.609 -2.797 8.035 1.00 3.35 C ATOM 973 CZ TYR A 63 -2.924 -2.820 8.442 1.00 33.42 C ATOM 974 OH TYR A 63 -3.240 -3.266 9.705 1.00 60.21 O ATOM 0 H TYR A 63 -3.795 0.397 3.787 1.00 1.24 H new ATOM 0 HA TYR A 63 -1.192 0.434 5.209 1.00 24.10 H new ATOM 0 HB2 TYR A 63 -2.689 -1.797 3.794 1.00 51.45 H new ATOM 0 HB3 TYR A 63 -0.986 -1.905 4.191 1.00 51.45 H new ATOM 0 HD1 TYR A 63 -4.390 -1.640 5.656 1.00 12.23 H new ATOM 0 HD2 TYR A 63 -0.260 -2.336 6.452 1.00 41.41 H new ATOM 0 HE1 TYR A 63 -4.955 -2.418 7.915 1.00 74.31 H new ATOM 0 HE2 TYR A 63 -0.828 -3.124 8.705 1.00 3.35 H new ATOM 0 HH TYR A 63 -4.211 -3.226 9.833 1.00 60.21 H new ATOM 984 N VAL A 64 0.042 1.061 3.143 1.00 13.51 N ATOM 985 CA VAL A 64 0.759 1.548 1.958 1.00 23.53 C ATOM 986 C VAL A 64 1.991 0.695 1.646 1.00 35.15 C ATOM 987 O VAL A 64 2.756 0.343 2.545 1.00 71.52 O ATOM 988 CB VAL A 64 1.197 3.021 2.156 1.00 0.21 C ATOM 989 CG1 VAL A 64 2.077 3.504 1.004 1.00 73.24 C ATOM 990 CG2 VAL A 64 -0.025 3.918 2.319 1.00 53.13 C ATOM 0 H VAL A 64 0.526 1.235 4.024 1.00 13.51 H new ATOM 0 HA VAL A 64 0.070 1.477 1.117 1.00 23.53 H new ATOM 0 HB VAL A 64 1.794 3.075 3.066 1.00 0.21 H new ATOM 0 HG11 VAL A 64 2.365 4.541 1.176 1.00 73.24 H new ATOM 0 HG12 VAL A 64 2.971 2.884 0.945 1.00 73.24 H new ATOM 0 HG13 VAL A 64 1.523 3.432 0.068 1.00 73.24 H new ATOM 0 HG21 VAL A 64 0.297 4.950 2.457 1.00 53.13 H new ATOM 0 HG22 VAL A 64 -0.649 3.849 1.428 1.00 53.13 H new ATOM 0 HG23 VAL A 64 -0.598 3.597 3.189 1.00 53.13 H new ATOM 1000 N TYR A 65 2.185 0.365 0.367 1.00 61.01 N ATOM 1001 CA TYR A 65 3.364 -0.392 -0.048 1.00 72.12 C ATOM 1002 C TYR A 65 3.979 0.164 -1.343 1.00 53.41 C ATOM 1003 O TYR A 65 3.280 0.435 -2.325 1.00 21.23 O ATOM 1004 CB TYR A 65 3.024 -1.883 -0.204 1.00 22.22 C ATOM 1005 CG TYR A 65 2.224 -2.255 -1.446 1.00 11.44 C ATOM 1006 CD1 TYR A 65 0.912 -1.833 -1.625 1.00 22.14 C ATOM 1007 CD2 TYR A 65 2.789 -3.051 -2.433 1.00 63.53 C ATOM 1008 CE1 TYR A 65 0.193 -2.192 -2.752 1.00 52.23 C ATOM 1009 CE2 TYR A 65 2.079 -3.419 -3.557 1.00 4.41 C ATOM 1010 CZ TYR A 65 0.780 -2.989 -3.713 1.00 33.40 C ATOM 1011 OH TYR A 65 0.065 -3.362 -4.829 1.00 11.23 O ATOM 0 H TYR A 65 1.547 0.608 -0.391 1.00 61.01 H new ATOM 0 HA TYR A 65 4.112 -0.284 0.738 1.00 72.12 H new ATOM 0 HB2 TYR A 65 3.955 -2.450 -0.212 1.00 22.22 H new ATOM 0 HB3 TYR A 65 2.464 -2.202 0.675 1.00 22.22 H new ATOM 0 HD1 TYR A 65 0.446 -1.215 -0.872 1.00 22.14 H new ATOM 0 HD2 TYR A 65 3.808 -3.390 -2.318 1.00 63.53 H new ATOM 0 HE1 TYR A 65 -0.823 -1.850 -2.879 1.00 52.23 H new ATOM 0 HE2 TYR A 65 2.539 -4.041 -4.311 1.00 4.41 H new ATOM 0 HH TYR A 65 0.124 -2.656 -5.506 1.00 11.23 H new ATOM 1021 N GLY A 66 5.292 0.367 -1.316 1.00 62.51 N ATOM 1022 CA GLY A 66 6.028 0.768 -2.508 1.00 10.33 C ATOM 1023 C GLY A 66 6.897 -0.358 -3.059 1.00 31.11 C ATOM 1024 O GLY A 66 6.725 -1.522 -2.695 1.00 14.14 O ATOM 0 H GLY A 66 5.868 0.260 -0.481 1.00 62.51 H new ATOM 0 HA2 GLY A 66 5.324 1.089 -3.276 1.00 10.33 H new ATOM 0 HA3 GLY A 66 6.657 1.627 -2.272 1.00 10.33 H new ATOM 1028 N ALA A 67 7.824 -0.018 -3.949 1.00 34.53 N ATOM 1029 CA ALA A 67 8.799 -0.990 -4.461 1.00 32.43 C ATOM 1030 C ALA A 67 9.947 -1.192 -3.461 1.00 41.02 C ATOM 1031 O ALA A 67 10.707 -2.159 -3.551 1.00 3.54 O ATOM 1032 CB ALA A 67 9.338 -0.532 -5.814 1.00 2.02 C ATOM 0 H ALA A 67 7.925 0.921 -4.334 1.00 34.53 H new ATOM 0 HA ALA A 67 8.295 -1.948 -4.592 1.00 32.43 H new ATOM 0 HB1 ALA A 67 10.060 -1.260 -6.184 1.00 2.02 H new ATOM 0 HB2 ALA A 67 8.515 -0.445 -6.523 1.00 2.02 H new ATOM 0 HB3 ALA A 67 9.825 0.437 -5.703 1.00 2.02 H new ATOM 1038 N GLY A 68 10.058 -0.275 -2.501 1.00 61.42 N ATOM 1039 CA GLY A 68 11.103 -0.359 -1.492 1.00 53.03 C ATOM 1040 C GLY A 68 10.744 0.362 -0.196 1.00 1.13 C ATOM 1041 O GLY A 68 9.846 1.208 -0.174 1.00 21.42 O ATOM 0 H GLY A 68 9.439 0.530 -2.404 1.00 61.42 H new ATOM 0 HA2 GLY A 68 11.305 -1.408 -1.273 1.00 53.03 H new ATOM 0 HA3 GLY A 68 12.023 0.066 -1.894 1.00 53.03 H new ATOM 1045 N ASP A 69 11.464 0.031 0.876 1.00 4.01 N ATOM 1046 CA ASP A 69 11.234 0.600 2.211 1.00 1.11 C ATOM 1047 C ASP A 69 11.113 2.132 2.184 1.00 54.45 C ATOM 1048 O ASP A 69 10.184 2.703 2.760 1.00 74.23 O ATOM 1049 CB ASP A 69 12.386 0.205 3.138 1.00 3.13 C ATOM 1050 CG ASP A 69 12.658 -1.285 3.117 1.00 32.44 C ATOM 1051 OD1 ASP A 69 13.365 -1.752 2.195 1.00 64.40 O ATOM 1052 OD2 ASP A 69 12.168 -1.995 4.017 1.00 32.31 O ATOM 0 H ASP A 69 12.229 -0.643 0.846 1.00 4.01 H new ATOM 0 HA ASP A 69 10.288 0.200 2.576 1.00 1.11 H new ATOM 0 HB2 ASP A 69 13.288 0.741 2.841 1.00 3.13 H new ATOM 0 HB3 ASP A 69 12.152 0.515 4.157 1.00 3.13 H new ATOM 1057 N GLU A 70 12.059 2.790 1.515 1.00 73.13 N ATOM 1058 CA GLU A 70 12.088 4.254 1.456 1.00 13.35 C ATOM 1059 C GLU A 70 10.834 4.824 0.775 1.00 4.20 C ATOM 1060 O GLU A 70 10.200 5.745 1.294 1.00 73.21 O ATOM 1061 CB GLU A 70 13.352 4.736 0.733 1.00 75.52 C ATOM 1062 CG GLU A 70 13.474 6.254 0.673 1.00 54.23 C ATOM 1063 CD GLU A 70 14.810 6.719 0.117 1.00 63.24 C ATOM 1064 OE1 GLU A 70 15.765 6.885 0.911 1.00 4.51 O ATOM 1065 OE2 GLU A 70 14.917 6.915 -1.113 1.00 40.15 O ATOM 0 H GLU A 70 12.816 2.334 1.006 1.00 73.13 H new ATOM 0 HA GLU A 70 12.102 4.622 2.482 1.00 13.35 H new ATOM 0 HB2 GLU A 70 14.228 4.328 1.238 1.00 75.52 H new ATOM 0 HB3 GLU A 70 13.355 4.338 -0.282 1.00 75.52 H new ATOM 0 HG2 GLU A 70 12.670 6.654 0.055 1.00 54.23 H new ATOM 0 HG3 GLU A 70 13.340 6.664 1.674 1.00 54.23 H new ATOM 1072 N GLN A 71 10.473 4.271 -0.386 1.00 31.23 N ATOM 1073 CA GLN A 71 9.269 4.709 -1.103 1.00 73.53 C ATOM 1074 C GLN A 71 8.018 4.539 -0.228 1.00 61.43 C ATOM 1075 O GLN A 71 7.172 5.434 -0.149 1.00 72.14 O ATOM 1076 CB GLN A 71 9.106 3.927 -2.415 1.00 44.02 C ATOM 1077 CG GLN A 71 7.950 4.414 -3.284 1.00 71.24 C ATOM 1078 CD GLN A 71 7.918 3.754 -4.652 1.00 73.43 C ATOM 1079 OE1 GLN A 71 8.327 2.607 -4.814 1.00 40.44 O ATOM 1080 NE2 GLN A 71 7.444 4.476 -5.649 1.00 53.44 N ATOM 0 H GLN A 71 10.992 3.524 -0.848 1.00 31.23 H new ATOM 0 HA GLN A 71 9.385 5.767 -1.338 1.00 73.53 H new ATOM 0 HB2 GLN A 71 10.032 3.997 -2.986 1.00 44.02 H new ATOM 0 HB3 GLN A 71 8.954 2.873 -2.182 1.00 44.02 H new ATOM 0 HG2 GLN A 71 7.009 4.219 -2.770 1.00 71.24 H new ATOM 0 HG3 GLN A 71 8.027 5.494 -3.409 1.00 71.24 H new ATOM 0 HE21 GLN A 71 7.113 5.425 -5.479 1.00 53.44 H new ATOM 0 HE22 GLN A 71 7.409 4.085 -6.590 1.00 53.44 H new ATOM 1089 N THR A 72 7.915 3.386 0.433 1.00 13.03 N ATOM 1090 CA THR A 72 6.826 3.125 1.382 1.00 2.31 C ATOM 1091 C THR A 72 6.791 4.191 2.489 1.00 31.25 C ATOM 1092 O THR A 72 5.769 4.838 2.712 1.00 70.24 O ATOM 1093 CB THR A 72 6.977 1.725 2.035 1.00 72.30 C ATOM 1094 OG1 THR A 72 6.935 0.696 1.032 1.00 71.53 O ATOM 1095 CG2 THR A 72 5.887 1.466 3.070 1.00 3.25 C ATOM 0 H THR A 72 8.573 2.614 0.330 1.00 13.03 H new ATOM 0 HA THR A 72 5.894 3.160 0.818 1.00 2.31 H new ATOM 0 HB THR A 72 7.943 1.706 2.540 1.00 72.30 H new ATOM 0 HG1 THR A 72 7.777 0.694 0.530 1.00 71.53 H new ATOM 0 HG21 THR A 72 6.026 0.476 3.505 1.00 3.25 H new ATOM 0 HG22 THR A 72 5.945 2.219 3.856 1.00 3.25 H new ATOM 0 HG23 THR A 72 4.910 1.517 2.590 1.00 3.25 H new ATOM 1103 N SER A 73 7.930 4.379 3.158 1.00 22.11 N ATOM 1104 CA SER A 73 8.053 5.338 4.273 1.00 74.44 C ATOM 1105 C SER A 73 7.647 6.761 3.867 1.00 21.33 C ATOM 1106 O SER A 73 6.850 7.413 4.551 1.00 41.11 O ATOM 1107 CB SER A 73 9.496 5.356 4.797 1.00 15.52 C ATOM 1108 OG SER A 73 9.673 6.333 5.816 1.00 11.40 O ATOM 0 H SER A 73 8.793 3.877 2.949 1.00 22.11 H new ATOM 0 HA SER A 73 7.371 5.005 5.055 1.00 74.44 H new ATOM 0 HB2 SER A 73 9.754 4.372 5.188 1.00 15.52 H new ATOM 0 HB3 SER A 73 10.180 5.561 3.973 1.00 15.52 H new ATOM 0 HG SER A 73 10.602 6.316 6.128 1.00 11.40 H new ATOM 1114 N GLN A 74 8.190 7.231 2.746 1.00 32.25 N ATOM 1115 CA GLN A 74 7.947 8.585 2.264 1.00 62.43 C ATOM 1116 C GLN A 74 6.472 8.783 1.868 1.00 34.43 C ATOM 1117 O GLN A 74 5.860 9.799 2.204 1.00 51.31 O ATOM 1118 CB GLN A 74 8.897 8.867 1.089 1.00 25.42 C ATOM 1119 CG GLN A 74 8.450 9.995 0.180 1.00 50.42 C ATOM 1120 CD GLN A 74 9.472 10.315 -0.898 1.00 15.53 C ATOM 1121 OE1 GLN A 74 10.351 11.151 -0.714 1.00 45.34 O ATOM 1122 NE2 GLN A 74 9.377 9.642 -2.025 1.00 44.04 N ATOM 0 H GLN A 74 8.809 6.684 2.149 1.00 32.25 H new ATOM 0 HA GLN A 74 8.147 9.299 3.063 1.00 62.43 H new ATOM 0 HB2 GLN A 74 9.884 9.105 1.485 1.00 25.42 H new ATOM 0 HB3 GLN A 74 9.002 7.958 0.496 1.00 25.42 H new ATOM 0 HG2 GLN A 74 7.504 9.725 -0.290 1.00 50.42 H new ATOM 0 HG3 GLN A 74 8.266 10.888 0.778 1.00 50.42 H new ATOM 0 HE21 GLN A 74 8.634 8.953 -2.147 1.00 44.04 H new ATOM 0 HE22 GLN A 74 10.046 9.809 -2.777 1.00 44.04 H new ATOM 1131 N ALA A 75 5.898 7.800 1.177 1.00 14.12 N ATOM 1132 CA ALA A 75 4.482 7.844 0.792 1.00 61.01 C ATOM 1133 C ALA A 75 3.564 7.906 2.024 1.00 41.43 C ATOM 1134 O ALA A 75 2.659 8.742 2.101 1.00 30.24 O ATOM 1135 CB ALA A 75 4.142 6.631 -0.060 1.00 25.51 C ATOM 0 H ALA A 75 6.390 6.961 0.870 1.00 14.12 H new ATOM 0 HA ALA A 75 4.316 8.752 0.212 1.00 61.01 H new ATOM 0 HB1 ALA A 75 3.090 6.668 -0.343 1.00 25.51 H new ATOM 0 HB2 ALA A 75 4.760 6.633 -0.958 1.00 25.51 H new ATOM 0 HB3 ALA A 75 4.332 5.721 0.510 1.00 25.51 H new ATOM 1141 N VAL A 76 3.804 7.010 2.980 1.00 53.35 N ATOM 1142 CA VAL A 76 3.067 7.005 4.252 1.00 34.53 C ATOM 1143 C VAL A 76 3.150 8.371 4.959 1.00 50.31 C ATOM 1144 O VAL A 76 2.181 8.823 5.581 1.00 63.32 O ATOM 1145 CB VAL A 76 3.598 5.894 5.197 1.00 21.11 C ATOM 1146 CG1 VAL A 76 2.931 5.966 6.571 1.00 70.45 C ATOM 1147 CG2 VAL A 76 3.389 4.517 4.569 1.00 75.31 C ATOM 0 H VAL A 76 4.505 6.273 2.901 1.00 53.35 H new ATOM 0 HA VAL A 76 2.022 6.802 4.016 1.00 34.53 H new ATOM 0 HB VAL A 76 4.667 6.056 5.339 1.00 21.11 H new ATOM 0 HG11 VAL A 76 3.325 5.175 7.209 1.00 70.45 H new ATOM 0 HG12 VAL A 76 3.138 6.935 7.026 1.00 70.45 H new ATOM 0 HG13 VAL A 76 1.854 5.840 6.460 1.00 70.45 H new ATOM 0 HG21 VAL A 76 3.766 3.748 5.244 1.00 75.31 H new ATOM 0 HG22 VAL A 76 2.326 4.355 4.393 1.00 75.31 H new ATOM 0 HG23 VAL A 76 3.926 4.464 3.622 1.00 75.31 H new ATOM 1157 N ASN A 77 4.308 9.027 4.857 1.00 2.53 N ATOM 1158 CA ASN A 77 4.484 10.370 5.422 1.00 22.41 C ATOM 1159 C ASN A 77 3.558 11.374 4.731 1.00 23.30 C ATOM 1160 O ASN A 77 2.883 12.168 5.378 1.00 74.01 O ATOM 1161 CB ASN A 77 5.933 10.843 5.272 1.00 74.21 C ATOM 1162 CG ASN A 77 6.207 12.099 6.081 1.00 10.33 C ATOM 1163 OD1 ASN A 77 5.595 12.330 7.120 1.00 12.12 O ATOM 1164 ND2 ASN A 77 7.115 12.926 5.614 1.00 62.53 N ATOM 0 H ASN A 77 5.135 8.654 4.391 1.00 2.53 H new ATOM 0 HA ASN A 77 4.233 10.314 6.481 1.00 22.41 H new ATOM 0 HB2 ASN A 77 6.608 10.050 5.593 1.00 74.21 H new ATOM 0 HB3 ASN A 77 6.145 11.036 4.220 1.00 74.21 H new ATOM 0 HD21 ASN A 77 7.328 13.787 6.118 1.00 62.53 H new ATOM 0 HD22 ASN A 77 7.607 12.707 4.748 1.00 62.53 H new ATOM 1171 N LEU A 78 3.539 11.317 3.409 1.00 23.32 N ATOM 1172 CA LEU A 78 2.715 12.206 2.591 1.00 5.32 C ATOM 1173 C LEU A 78 1.222 12.101 2.948 1.00 2.35 C ATOM 1174 O LEU A 78 0.520 13.110 3.022 1.00 4.31 O ATOM 1175 CB LEU A 78 2.961 11.872 1.117 1.00 5.54 C ATOM 1176 CG LEU A 78 4.411 12.108 0.656 1.00 24.43 C ATOM 1177 CD1 LEU A 78 4.709 11.362 -0.637 1.00 52.33 C ATOM 1178 CD2 LEU A 78 4.689 13.604 0.496 1.00 33.31 C ATOM 0 H LEU A 78 4.094 10.654 2.868 1.00 23.32 H new ATOM 0 HA LEU A 78 2.999 13.239 2.789 1.00 5.32 H new ATOM 0 HB2 LEU A 78 2.700 10.828 0.943 1.00 5.54 H new ATOM 0 HB3 LEU A 78 2.292 12.474 0.502 1.00 5.54 H new ATOM 0 HG LEU A 78 5.075 11.715 1.426 1.00 24.43 H new ATOM 0 HD11 LEU A 78 5.740 11.549 -0.936 1.00 52.33 H new ATOM 0 HD12 LEU A 78 4.565 10.293 -0.482 1.00 52.33 H new ATOM 0 HD13 LEU A 78 4.036 11.709 -1.421 1.00 52.33 H new ATOM 0 HD21 LEU A 78 5.719 13.750 0.170 1.00 33.31 H new ATOM 0 HD22 LEU A 78 4.010 14.023 -0.247 1.00 33.31 H new ATOM 0 HD23 LEU A 78 4.536 14.107 1.451 1.00 33.31 H new ATOM 1190 N LEU A 79 0.746 10.880 3.188 1.00 34.43 N ATOM 1191 CA LEU A 79 -0.646 10.667 3.607 1.00 31.10 C ATOM 1192 C LEU A 79 -0.931 11.276 4.987 1.00 41.34 C ATOM 1193 O LEU A 79 -1.877 12.049 5.148 1.00 45.00 O ATOM 1194 CB LEU A 79 -0.988 9.175 3.618 1.00 2.32 C ATOM 1195 CG LEU A 79 -1.120 8.529 2.233 1.00 72.33 C ATOM 1196 CD1 LEU A 79 -1.400 7.037 2.360 1.00 61.44 C ATOM 1197 CD2 LEU A 79 -2.215 9.215 1.420 1.00 63.33 C ATOM 0 H LEU A 79 1.297 10.026 3.101 1.00 34.43 H new ATOM 0 HA LEU A 79 -1.278 11.175 2.878 1.00 31.10 H new ATOM 0 HB2 LEU A 79 -0.217 8.645 4.177 1.00 2.32 H new ATOM 0 HB3 LEU A 79 -1.925 9.037 4.157 1.00 2.32 H new ATOM 0 HG LEU A 79 -0.174 8.655 1.706 1.00 72.33 H new ATOM 0 HD11 LEU A 79 -1.490 6.598 1.366 1.00 61.44 H new ATOM 0 HD12 LEU A 79 -0.581 6.557 2.896 1.00 61.44 H new ATOM 0 HD13 LEU A 79 -2.330 6.887 2.909 1.00 61.44 H new ATOM 0 HD21 LEU A 79 -2.292 8.742 0.441 1.00 63.33 H new ATOM 0 HD22 LEU A 79 -3.167 9.125 1.943 1.00 63.33 H new ATOM 0 HD23 LEU A 79 -1.969 10.269 1.295 1.00 63.33 H new ATOM 1209 N ARG A 80 -0.118 10.932 5.987 1.00 21.14 N ATOM 1210 CA ARG A 80 -0.306 11.481 7.336 1.00 23.14 C ATOM 1211 C ARG A 80 -0.140 13.010 7.326 1.00 12.44 C ATOM 1212 O ARG A 80 -0.802 13.725 8.079 1.00 3.14 O ATOM 1213 CB ARG A 80 0.653 10.825 8.346 1.00 61.33 C ATOM 1214 CG ARG A 80 2.128 11.101 8.089 1.00 4.25 C ATOM 1215 CD ARG A 80 3.027 10.394 9.100 1.00 75.32 C ATOM 1216 NE ARG A 80 2.921 8.933 9.015 1.00 54.44 N ATOM 1217 CZ ARG A 80 3.498 8.103 9.850 1.00 43.44 C ATOM 1218 NH1 ARG A 80 4.194 8.548 10.850 1.00 61.55 N ATOM 1219 NH2 ARG A 80 3.362 6.823 9.696 1.00 1.43 N ATOM 0 H ARG A 80 0.666 10.286 5.894 1.00 21.14 H new ATOM 0 HA ARG A 80 -1.323 11.251 7.655 1.00 23.14 H new ATOM 0 HB2 ARG A 80 0.400 11.174 9.347 1.00 61.33 H new ATOM 0 HB3 ARG A 80 0.491 9.747 8.334 1.00 61.33 H new ATOM 0 HG2 ARG A 80 2.388 10.774 7.082 1.00 4.25 H new ATOM 0 HG3 ARG A 80 2.309 12.175 8.132 1.00 4.25 H new ATOM 0 HD2 ARG A 80 4.062 10.691 8.932 1.00 75.32 H new ATOM 0 HD3 ARG A 80 2.762 10.717 10.107 1.00 75.32 H new ATOM 0 HE ARG A 80 2.363 8.538 8.258 1.00 54.44 H new ATOM 0 HH11 ARG A 80 4.297 9.553 10.993 1.00 61.55 H new ATOM 0 HH12 ARG A 80 4.639 7.893 11.493 1.00 61.55 H new ATOM 0 HH21 ARG A 80 2.805 6.459 8.923 1.00 1.43 H new ATOM 0 HH22 ARG A 80 3.812 6.180 10.348 1.00 1.43 H new ATOM 1233 N SER A 81 0.728 13.505 6.446 1.00 63.11 N ATOM 1234 CA SER A 81 0.900 14.950 6.249 1.00 34.21 C ATOM 1235 C SER A 81 -0.344 15.562 5.588 1.00 4.24 C ATOM 1236 O SER A 81 -0.642 16.742 5.771 1.00 71.31 O ATOM 1237 CB SER A 81 2.138 15.238 5.388 1.00 43.25 C ATOM 1238 OG SER A 81 2.366 16.636 5.249 1.00 32.51 O ATOM 0 H SER A 81 1.326 12.928 5.855 1.00 63.11 H new ATOM 0 HA SER A 81 1.038 15.405 7.230 1.00 34.21 H new ATOM 0 HB2 SER A 81 3.013 14.769 5.839 1.00 43.25 H new ATOM 0 HB3 SER A 81 2.009 14.790 4.403 1.00 43.25 H new ATOM 0 HG SER A 81 3.162 16.784 4.697 1.00 32.51 H new ATOM 1244 N ALA A 82 -1.064 14.744 4.818 1.00 70.11 N ATOM 1245 CA ALA A 82 -2.324 15.160 4.190 1.00 12.35 C ATOM 1246 C ALA A 82 -3.516 15.018 5.155 1.00 61.54 C ATOM 1247 O ALA A 82 -4.662 15.255 4.776 1.00 62.11 O ATOM 1248 CB ALA A 82 -2.570 14.352 2.916 1.00 40.24 C ATOM 0 H ALA A 82 -0.795 13.782 4.612 1.00 70.11 H new ATOM 0 HA ALA A 82 -2.235 16.215 3.932 1.00 12.35 H new ATOM 0 HB1 ALA A 82 -3.507 14.669 2.459 1.00 40.24 H new ATOM 0 HB2 ALA A 82 -1.751 14.518 2.216 1.00 40.24 H new ATOM 0 HB3 ALA A 82 -2.627 13.292 3.163 1.00 40.24 H new ATOM 1254 N GLY A 83 -3.245 14.623 6.400 1.00 23.34 N ATOM 1255 CA GLY A 83 -4.301 14.539 7.410 1.00 72.40 C ATOM 1256 C GLY A 83 -4.636 13.117 7.847 1.00 63.01 C ATOM 1257 O GLY A 83 -5.230 12.914 8.906 1.00 45.42 O ATOM 0 H GLY A 83 -2.317 14.359 6.730 1.00 23.34 H new ATOM 0 HA2 GLY A 83 -3.998 15.114 8.285 1.00 72.40 H new ATOM 0 HA3 GLY A 83 -5.203 15.008 7.017 1.00 72.40 H new ATOM 1261 N PHE A 84 -4.278 12.133 7.027 1.00 24.14 N ATOM 1262 CA PHE A 84 -4.585 10.726 7.321 1.00 43.31 C ATOM 1263 C PHE A 84 -3.956 10.251 8.637 1.00 24.23 C ATOM 1264 O PHE A 84 -2.738 10.117 8.752 1.00 73.42 O ATOM 1265 CB PHE A 84 -4.132 9.826 6.167 1.00 21.22 C ATOM 1266 CG PHE A 84 -4.923 10.044 4.903 1.00 32.24 C ATOM 1267 CD1 PHE A 84 -6.101 9.345 4.683 1.00 11.41 C ATOM 1268 CD2 PHE A 84 -4.504 10.960 3.949 1.00 43.31 C ATOM 1269 CE1 PHE A 84 -6.840 9.554 3.537 1.00 71.41 C ATOM 1270 CE2 PHE A 84 -5.243 11.171 2.804 1.00 0.33 C ATOM 1271 CZ PHE A 84 -6.413 10.469 2.601 1.00 10.55 C ATOM 0 H PHE A 84 -3.775 12.278 6.152 1.00 24.14 H new ATOM 0 HA PHE A 84 -5.667 10.655 7.434 1.00 43.31 H new ATOM 0 HB2 PHE A 84 -3.077 10.008 5.964 1.00 21.22 H new ATOM 0 HB3 PHE A 84 -4.223 8.783 6.470 1.00 21.22 H new ATOM 0 HD1 PHE A 84 -6.443 8.630 5.416 1.00 11.41 H new ATOM 0 HD2 PHE A 84 -3.590 11.513 4.105 1.00 43.31 H new ATOM 0 HE1 PHE A 84 -7.753 9.000 3.374 1.00 71.41 H new ATOM 0 HE2 PHE A 84 -4.906 11.885 2.067 1.00 0.33 H new ATOM 0 HZ PHE A 84 -6.995 10.637 1.707 1.00 10.55 H new ATOM 1281 N GLU A 85 -4.808 10.004 9.627 1.00 73.13 N ATOM 1282 CA GLU A 85 -4.373 9.509 10.935 1.00 23.03 C ATOM 1283 C GLU A 85 -3.986 8.025 10.881 1.00 55.24 C ATOM 1284 O GLU A 85 -3.008 7.607 11.499 1.00 21.01 O ATOM 1285 CB GLU A 85 -5.494 9.702 11.966 1.00 15.53 C ATOM 1286 CG GLU A 85 -5.846 11.161 12.232 1.00 72.43 C ATOM 1287 CD GLU A 85 -6.831 11.326 13.378 1.00 45.23 C ATOM 1288 OE1 GLU A 85 -8.053 11.240 13.138 1.00 53.40 O ATOM 1289 OE2 GLU A 85 -6.386 11.525 14.530 1.00 25.13 O ATOM 0 H GLU A 85 -5.816 10.140 9.549 1.00 73.13 H new ATOM 0 HA GLU A 85 -3.492 10.081 11.227 1.00 23.03 H new ATOM 0 HB2 GLU A 85 -6.386 9.181 11.619 1.00 15.53 H new ATOM 0 HB3 GLU A 85 -5.196 9.234 12.904 1.00 15.53 H new ATOM 0 HG2 GLU A 85 -4.935 11.715 12.458 1.00 72.43 H new ATOM 0 HG3 GLU A 85 -6.269 11.599 11.328 1.00 72.43 H new ATOM 1296 N HIS A 86 -4.763 7.229 10.148 1.00 34.23 N ATOM 1297 CA HIS A 86 -4.568 5.769 10.127 1.00 21.52 C ATOM 1298 C HIS A 86 -3.872 5.287 8.842 1.00 41.23 C ATOM 1299 O HIS A 86 -4.528 4.907 7.873 1.00 0.53 O ATOM 1300 CB HIS A 86 -5.916 5.059 10.303 1.00 55.51 C ATOM 1301 CG HIS A 86 -6.566 5.330 11.627 1.00 22.04 C ATOM 1302 ND1 HIS A 86 -6.772 4.356 12.579 1.00 1.23 N ATOM 1303 CD2 HIS A 86 -7.050 6.478 12.161 1.00 1.54 C ATOM 1304 CE1 HIS A 86 -7.346 4.891 13.637 1.00 15.11 C ATOM 1305 NE2 HIS A 86 -7.527 6.173 13.410 1.00 32.44 N ATOM 0 H HIS A 86 -5.530 7.561 9.563 1.00 34.23 H new ATOM 0 HA HIS A 86 -3.910 5.516 10.958 1.00 21.52 H new ATOM 0 HB2 HIS A 86 -6.590 5.372 9.505 1.00 55.51 H new ATOM 0 HB3 HIS A 86 -5.769 3.985 10.192 1.00 55.51 H new ATOM 0 HD1 HIS A 86 -6.519 3.373 12.480 1.00 1.23 H new ATOM 0 HD2 HIS A 86 -7.058 7.450 11.691 1.00 1.54 H new ATOM 0 HE1 HIS A 86 -7.622 4.365 14.539 1.00 15.11 H new ATOM 1314 N VAL A 87 -2.539 5.316 8.843 1.00 71.24 N ATOM 1315 CA VAL A 87 -1.741 4.820 7.711 1.00 35.42 C ATOM 1316 C VAL A 87 -0.518 4.023 8.202 1.00 12.31 C ATOM 1317 O VAL A 87 0.347 4.563 8.894 1.00 33.25 O ATOM 1318 CB VAL A 87 -1.247 5.976 6.800 1.00 31.54 C ATOM 1319 CG1 VAL A 87 -0.489 5.427 5.595 1.00 0.41 C ATOM 1320 CG2 VAL A 87 -2.407 6.860 6.347 1.00 14.44 C ATOM 0 H VAL A 87 -1.983 5.679 9.617 1.00 71.24 H new ATOM 0 HA VAL A 87 -2.398 4.170 7.133 1.00 35.42 H new ATOM 0 HB VAL A 87 -0.565 6.593 7.386 1.00 31.54 H new ATOM 0 HG11 VAL A 87 -0.152 6.254 4.970 1.00 0.41 H new ATOM 0 HG12 VAL A 87 0.374 4.855 5.937 1.00 0.41 H new ATOM 0 HG13 VAL A 87 -1.147 4.779 5.016 1.00 0.41 H new ATOM 0 HG21 VAL A 87 -2.028 7.660 5.711 1.00 14.44 H new ATOM 0 HG22 VAL A 87 -3.125 6.260 5.787 1.00 14.44 H new ATOM 0 HG23 VAL A 87 -2.898 7.292 7.219 1.00 14.44 H new ATOM 1330 N SER A 88 -0.444 2.745 7.831 1.00 61.20 N ATOM 1331 CA SER A 88 0.663 1.872 8.253 1.00 52.10 C ATOM 1332 C SER A 88 1.601 1.542 7.084 1.00 3.51 C ATOM 1333 O SER A 88 1.185 1.494 5.921 1.00 70.30 O ATOM 1334 CB SER A 88 0.120 0.574 8.867 1.00 41.03 C ATOM 1335 OG SER A 88 1.169 -0.266 9.331 1.00 34.22 O ATOM 0 H SER A 88 -1.136 2.286 7.238 1.00 61.20 H new ATOM 0 HA SER A 88 1.237 2.414 9.005 1.00 52.10 H new ATOM 0 HB2 SER A 88 -0.547 0.814 9.695 1.00 41.03 H new ATOM 0 HB3 SER A 88 -0.473 0.040 8.124 1.00 41.03 H new ATOM 0 HG SER A 88 1.366 -0.056 10.268 1.00 34.22 H new ATOM 1341 N GLU A 89 2.865 1.309 7.413 1.00 53.21 N ATOM 1342 CA GLU A 89 3.915 1.048 6.424 1.00 33.53 C ATOM 1343 C GLU A 89 4.093 -0.463 6.190 1.00 11.45 C ATOM 1344 O GLU A 89 4.478 -1.195 7.101 1.00 15.34 O ATOM 1345 CB GLU A 89 5.237 1.660 6.924 1.00 34.52 C ATOM 1346 CG GLU A 89 5.092 3.097 7.426 1.00 41.20 C ATOM 1347 CD GLU A 89 6.374 3.666 8.013 1.00 75.12 C ATOM 1348 OE1 GLU A 89 6.634 3.454 9.216 1.00 53.13 O ATOM 1349 OE2 GLU A 89 7.113 4.355 7.282 1.00 23.42 O ATOM 0 H GLU A 89 3.197 1.295 8.377 1.00 53.21 H new ATOM 0 HA GLU A 89 3.627 1.502 5.476 1.00 33.53 H new ATOM 0 HB2 GLU A 89 5.634 1.041 7.729 1.00 34.52 H new ATOM 0 HB3 GLU A 89 5.967 1.638 6.115 1.00 34.52 H new ATOM 0 HG2 GLU A 89 4.767 3.731 6.601 1.00 41.20 H new ATOM 0 HG3 GLU A 89 4.308 3.132 8.183 1.00 41.20 H new ATOM 1356 N LEU A 90 3.811 -0.933 4.976 1.00 33.23 N ATOM 1357 CA LEU A 90 3.963 -2.358 4.660 1.00 43.33 C ATOM 1358 C LEU A 90 5.432 -2.706 4.368 1.00 73.22 C ATOM 1359 O LEU A 90 6.038 -2.171 3.438 1.00 22.51 O ATOM 1360 CB LEU A 90 3.076 -2.758 3.472 1.00 24.55 C ATOM 1361 CG LEU A 90 3.047 -4.266 3.155 1.00 24.34 C ATOM 1362 CD1 LEU A 90 2.566 -5.064 4.365 1.00 53.15 C ATOM 1363 CD2 LEU A 90 2.163 -4.550 1.943 1.00 13.03 C ATOM 0 H LEU A 90 3.480 -0.358 4.201 1.00 33.23 H new ATOM 0 HA LEU A 90 3.643 -2.924 5.535 1.00 43.33 H new ATOM 0 HB2 LEU A 90 2.057 -2.425 3.671 1.00 24.55 H new ATOM 0 HB3 LEU A 90 3.419 -2.223 2.586 1.00 24.55 H new ATOM 0 HG LEU A 90 4.064 -4.580 2.918 1.00 24.34 H new ATOM 0 HD11 LEU A 90 2.553 -6.126 4.119 1.00 53.15 H new ATOM 0 HD12 LEU A 90 3.240 -4.894 5.204 1.00 53.15 H new ATOM 0 HD13 LEU A 90 1.561 -4.742 4.637 1.00 53.15 H new ATOM 0 HD21 LEU A 90 2.158 -5.621 1.739 1.00 13.03 H new ATOM 0 HD22 LEU A 90 1.146 -4.215 2.148 1.00 13.03 H new ATOM 0 HD23 LEU A 90 2.553 -4.017 1.076 1.00 13.03 H new ATOM 1375 N LYS A 91 5.989 -3.608 5.173 1.00 11.21 N ATOM 1376 CA LYS A 91 7.390 -4.023 5.047 1.00 10.40 C ATOM 1377 C LYS A 91 7.689 -4.702 3.701 1.00 75.50 C ATOM 1378 O LYS A 91 6.927 -5.549 3.230 1.00 61.24 O ATOM 1379 CB LYS A 91 7.752 -4.978 6.185 1.00 11.33 C ATOM 1380 CG LYS A 91 7.775 -4.326 7.564 1.00 33.53 C ATOM 1381 CD LYS A 91 7.949 -5.368 8.660 1.00 1.20 C ATOM 1382 CE LYS A 91 9.211 -6.205 8.461 1.00 22.40 C ATOM 1383 NZ LYS A 91 9.247 -7.382 9.369 1.00 5.42 N ATOM 0 H LYS A 91 5.486 -4.072 5.930 1.00 11.21 H new ATOM 0 HA LYS A 91 7.995 -3.118 5.100 1.00 10.40 H new ATOM 0 HB2 LYS A 91 7.037 -5.800 6.196 1.00 11.33 H new ATOM 0 HB3 LYS A 91 8.732 -5.411 5.984 1.00 11.33 H new ATOM 0 HG2 LYS A 91 8.588 -3.602 7.614 1.00 33.53 H new ATOM 0 HG3 LYS A 91 6.848 -3.776 7.725 1.00 33.53 H new ATOM 0 HD2 LYS A 91 7.993 -4.871 9.629 1.00 1.20 H new ATOM 0 HD3 LYS A 91 7.079 -6.024 8.678 1.00 1.20 H new ATOM 0 HE2 LYS A 91 9.262 -6.544 7.426 1.00 22.40 H new ATOM 0 HE3 LYS A 91 10.089 -5.584 8.637 1.00 22.40 H new ATOM 0 HZ1 LYS A 91 10.220 -7.744 9.430 1.00 5.42 H new ATOM 0 HZ2 LYS A 91 8.923 -7.100 10.316 1.00 5.42 H new ATOM 0 HZ3 LYS A 91 8.623 -8.126 8.997 1.00 5.42 H new ATOM 1397 N GLY A 92 8.822 -4.338 3.105 1.00 60.20 N ATOM 1398 CA GLY A 92 9.247 -4.937 1.843 1.00 20.43 C ATOM 1399 C GLY A 92 8.480 -4.414 0.629 1.00 71.24 C ATOM 1400 O GLY A 92 9.065 -3.828 -0.284 1.00 21.20 O ATOM 0 H GLY A 92 9.460 -3.633 3.474 1.00 60.20 H new ATOM 0 HA2 GLY A 92 10.311 -4.747 1.700 1.00 20.43 H new ATOM 0 HA3 GLY A 92 9.122 -6.018 1.903 1.00 20.43 H new ATOM 1404 N GLY A 93 7.170 -4.634 0.614 1.00 11.22 N ATOM 1405 CA GLY A 93 6.339 -4.196 -0.503 1.00 44.22 C ATOM 1406 C GLY A 93 5.739 -5.359 -1.286 1.00 15.34 C ATOM 1407 O GLY A 93 5.386 -6.391 -0.709 1.00 51.13 O ATOM 0 H GLY A 93 6.662 -5.111 1.359 1.00 11.22 H new ATOM 0 HA2 GLY A 93 5.534 -3.565 -0.126 1.00 44.22 H new ATOM 0 HA3 GLY A 93 6.937 -3.582 -1.176 1.00 44.22 H new ATOM 1411 N LEU A 94 5.640 -5.200 -2.605 1.00 12.33 N ATOM 1412 CA LEU A 94 5.022 -6.218 -3.464 1.00 14.00 C ATOM 1413 C LEU A 94 5.827 -7.529 -3.482 1.00 2.12 C ATOM 1414 O LEU A 94 5.269 -8.609 -3.290 1.00 34.21 O ATOM 1415 CB LEU A 94 4.872 -5.689 -4.896 1.00 64.13 C ATOM 1416 CG LEU A 94 4.123 -6.628 -5.856 1.00 45.30 C ATOM 1417 CD1 LEU A 94 2.669 -6.799 -5.419 1.00 53.20 C ATOM 1418 CD2 LEU A 94 4.208 -6.117 -7.291 1.00 15.32 C ATOM 0 H LEU A 94 5.978 -4.378 -3.105 1.00 12.33 H new ATOM 0 HA LEU A 94 4.039 -6.434 -3.046 1.00 14.00 H new ATOM 0 HB2 LEU A 94 4.348 -4.734 -4.862 1.00 64.13 H new ATOM 0 HB3 LEU A 94 5.865 -5.494 -5.302 1.00 64.13 H new ATOM 0 HG LEU A 94 4.603 -7.606 -5.821 1.00 45.30 H new ATOM 0 HD11 LEU A 94 2.157 -7.467 -6.112 1.00 53.20 H new ATOM 0 HD12 LEU A 94 2.638 -7.224 -4.416 1.00 53.20 H new ATOM 0 HD13 LEU A 94 2.173 -5.828 -5.418 1.00 53.20 H new ATOM 0 HD21 LEU A 94 3.671 -6.797 -7.952 1.00 15.32 H new ATOM 0 HD22 LEU A 94 3.761 -5.125 -7.351 1.00 15.32 H new ATOM 0 HD23 LEU A 94 5.253 -6.063 -7.597 1.00 15.32 H new ATOM 1430 N ALA A 95 7.135 -7.430 -3.711 1.00 21.22 N ATOM 1431 CA ALA A 95 7.995 -8.617 -3.805 1.00 75.11 C ATOM 1432 C ALA A 95 7.939 -9.458 -2.520 1.00 5.43 C ATOM 1433 O ALA A 95 8.012 -10.688 -2.570 1.00 52.42 O ATOM 1434 CB ALA A 95 9.431 -8.206 -4.111 1.00 55.42 C ATOM 0 H ALA A 95 7.625 -6.544 -3.835 1.00 21.22 H new ATOM 0 HA ALA A 95 7.622 -9.236 -4.621 1.00 75.11 H new ATOM 0 HB1 ALA A 95 10.058 -9.095 -4.178 1.00 55.42 H new ATOM 0 HB2 ALA A 95 9.462 -7.668 -5.059 1.00 55.42 H new ATOM 0 HB3 ALA A 95 9.802 -7.560 -3.315 1.00 55.42 H new ATOM 1440 N ALA A 96 7.809 -8.788 -1.377 1.00 31.32 N ATOM 1441 CA ALA A 96 7.626 -9.467 -0.089 1.00 5.34 C ATOM 1442 C ALA A 96 6.278 -10.203 -0.048 1.00 22.34 C ATOM 1443 O ALA A 96 6.208 -11.387 0.295 1.00 33.44 O ATOM 1444 CB ALA A 96 7.722 -8.461 1.054 1.00 64.31 C ATOM 0 H ALA A 96 7.827 -7.770 -1.313 1.00 31.32 H new ATOM 0 HA ALA A 96 8.419 -10.206 0.028 1.00 5.34 H new ATOM 0 HB1 ALA A 96 7.585 -8.976 2.005 1.00 64.31 H new ATOM 0 HB2 ALA A 96 8.702 -7.984 1.038 1.00 64.31 H new ATOM 0 HB3 ALA A 96 6.948 -7.703 0.937 1.00 64.31 H new ATOM 1450 N TRP A 97 5.214 -9.487 -0.417 1.00 12.51 N ATOM 1451 CA TRP A 97 3.864 -10.061 -0.525 1.00 44.25 C ATOM 1452 C TRP A 97 3.857 -11.298 -1.444 1.00 11.44 C ATOM 1453 O TRP A 97 3.136 -12.269 -1.206 1.00 73.11 O ATOM 1454 CB TRP A 97 2.907 -8.994 -1.073 1.00 54.33 C ATOM 1455 CG TRP A 97 1.469 -9.423 -1.144 1.00 54.30 C ATOM 1456 CD1 TRP A 97 0.833 -10.006 -2.203 1.00 11.53 C ATOM 1457 CD2 TRP A 97 0.486 -9.287 -0.115 1.00 64.35 C ATOM 1458 NE1 TRP A 97 -0.484 -10.237 -1.895 1.00 60.53 N ATOM 1459 CE2 TRP A 97 -0.723 -9.800 -0.620 1.00 10.12 C ATOM 1460 CE3 TRP A 97 0.511 -8.772 1.183 1.00 0.13 C ATOM 1461 CZ2 TRP A 97 -1.894 -9.819 0.130 1.00 61.13 C ATOM 1462 CZ3 TRP A 97 -0.652 -8.792 1.927 1.00 52.33 C ATOM 1463 CH2 TRP A 97 -1.841 -9.308 1.398 1.00 72.14 C ATOM 0 H TRP A 97 5.260 -8.495 -0.650 1.00 12.51 H new ATOM 0 HA TRP A 97 3.538 -10.379 0.465 1.00 44.25 H new ATOM 0 HB2 TRP A 97 2.977 -8.105 -0.446 1.00 54.33 H new ATOM 0 HB3 TRP A 97 3.237 -8.707 -2.071 1.00 54.33 H new ATOM 0 HD1 TRP A 97 1.299 -10.250 -3.146 1.00 11.53 H new ATOM 0 HE1 TRP A 97 -1.172 -10.664 -2.515 1.00 60.53 H new ATOM 0 HE3 TRP A 97 1.422 -8.366 1.597 1.00 0.13 H new ATOM 0 HZ2 TRP A 97 -2.811 -10.222 -0.274 1.00 61.13 H new ATOM 0 HZ3 TRP A 97 -0.644 -8.403 2.934 1.00 52.33 H new ATOM 0 HH2 TRP A 97 -2.735 -9.303 2.004 1.00 72.14 H new ATOM 1474 N LYS A 98 4.660 -11.247 -2.504 1.00 22.25 N ATOM 1475 CA LYS A 98 4.783 -12.372 -3.436 1.00 42.42 C ATOM 1476 C LYS A 98 5.694 -13.479 -2.879 1.00 15.40 C ATOM 1477 O LYS A 98 5.462 -14.663 -3.117 1.00 75.54 O ATOM 1478 CB LYS A 98 5.305 -11.888 -4.797 1.00 32.44 C ATOM 1479 CG LYS A 98 4.444 -10.796 -5.427 1.00 22.14 C ATOM 1480 CD LYS A 98 4.605 -10.742 -6.942 1.00 34.02 C ATOM 1481 CE LYS A 98 6.037 -10.459 -7.374 1.00 12.42 C ATOM 1482 NZ LYS A 98 6.198 -10.604 -8.846 1.00 15.23 N ATOM 0 H LYS A 98 5.237 -10.440 -2.742 1.00 22.25 H new ATOM 0 HA LYS A 98 3.788 -12.797 -3.567 1.00 42.42 H new ATOM 0 HB2 LYS A 98 6.321 -11.513 -4.675 1.00 32.44 H new ATOM 0 HB3 LYS A 98 5.358 -12.736 -5.479 1.00 32.44 H new ATOM 0 HG2 LYS A 98 3.397 -10.973 -5.180 1.00 22.14 H new ATOM 0 HG3 LYS A 98 4.714 -9.830 -4.999 1.00 22.14 H new ATOM 0 HD2 LYS A 98 4.282 -11.690 -7.371 1.00 34.02 H new ATOM 0 HD3 LYS A 98 3.950 -9.970 -7.345 1.00 34.02 H new ATOM 0 HE2 LYS A 98 6.317 -9.449 -7.073 1.00 12.42 H new ATOM 0 HE3 LYS A 98 6.715 -11.143 -6.863 1.00 12.42 H new ATOM 0 HZ1 LYS A 98 6.915 -11.330 -9.047 1.00 15.23 H new ATOM 0 HZ2 LYS A 98 5.291 -10.887 -9.268 1.00 15.23 H new ATOM 0 HZ3 LYS A 98 6.501 -9.696 -9.253 1.00 15.23 H new ATOM 1496 N ALA A 99 6.721 -13.088 -2.122 1.00 11.15 N ATOM 1497 CA ALA A 99 7.669 -14.046 -1.530 1.00 60.43 C ATOM 1498 C ALA A 99 6.972 -15.005 -0.552 1.00 43.11 C ATOM 1499 O ALA A 99 7.409 -16.141 -0.356 1.00 22.35 O ATOM 1500 CB ALA A 99 8.799 -13.303 -0.822 1.00 51.25 C ATOM 0 H ALA A 99 6.921 -12.113 -1.901 1.00 11.15 H new ATOM 0 HA ALA A 99 8.084 -14.643 -2.342 1.00 60.43 H new ATOM 0 HB1 ALA A 99 9.493 -14.023 -0.389 1.00 51.25 H new ATOM 0 HB2 ALA A 99 9.328 -12.676 -1.540 1.00 51.25 H new ATOM 0 HB3 ALA A 99 8.384 -12.678 -0.031 1.00 51.25 H new ATOM 1506 N ILE A 100 5.896 -14.530 0.069 1.00 3.31 N ATOM 1507 CA ILE A 100 5.085 -15.351 0.980 1.00 0.52 C ATOM 1508 C ILE A 100 3.924 -16.046 0.244 1.00 30.33 C ATOM 1509 O ILE A 100 3.023 -16.600 0.876 1.00 11.21 O ATOM 1510 CB ILE A 100 4.498 -14.483 2.118 1.00 60.23 C ATOM 1511 CG1 ILE A 100 3.626 -13.367 1.518 1.00 11.14 C ATOM 1512 CG2 ILE A 100 5.615 -13.903 2.987 1.00 34.41 C ATOM 1513 CD1 ILE A 100 3.005 -12.444 2.537 1.00 72.01 C ATOM 0 H ILE A 100 5.559 -13.574 -0.040 1.00 3.31 H new ATOM 0 HA ILE A 100 5.747 -16.112 1.392 1.00 0.52 H new ATOM 0 HB ILE A 100 3.875 -15.107 2.758 1.00 60.23 H new ATOM 0 HG12 ILE A 100 4.234 -12.776 0.834 1.00 11.14 H new ATOM 0 HG13 ILE A 100 2.832 -13.822 0.926 1.00 11.14 H new ATOM 0 HG21 ILE A 100 5.180 -13.296 3.781 1.00 34.41 H new ATOM 0 HG22 ILE A 100 6.193 -14.716 3.427 1.00 34.41 H new ATOM 0 HG23 ILE A 100 6.269 -13.283 2.373 1.00 34.41 H new ATOM 0 HD11 ILE A 100 2.408 -11.688 2.027 1.00 72.01 H new ATOM 0 HD12 ILE A 100 2.367 -13.019 3.208 1.00 72.01 H new ATOM 0 HD13 ILE A 100 3.791 -11.957 3.114 1.00 72.01 H new ATOM 1525 N GLY A 101 3.942 -16.001 -1.089 1.00 60.00 N ATOM 1526 CA GLY A 101 2.877 -16.609 -1.880 1.00 43.22 C ATOM 1527 C GLY A 101 1.504 -15.985 -1.630 1.00 52.11 C ATOM 1528 O GLY A 101 0.515 -16.698 -1.448 1.00 43.44 O ATOM 0 H GLY A 101 4.676 -15.554 -1.637 1.00 60.00 H new ATOM 0 HA2 GLY A 101 3.123 -16.517 -2.938 1.00 43.22 H new ATOM 0 HA3 GLY A 101 2.830 -17.674 -1.655 1.00 43.22 H new ATOM 1532 N GLY A 102 1.447 -14.652 -1.591 1.00 64.34 N ATOM 1533 CA GLY A 102 0.180 -13.951 -1.405 1.00 53.13 C ATOM 1534 C GLY A 102 -0.622 -13.781 -2.697 1.00 73.31 C ATOM 1535 O GLY A 102 -0.110 -14.030 -3.793 1.00 2.05 O ATOM 0 H GLY A 102 2.259 -14.042 -1.685 1.00 64.34 H new ATOM 0 HA2 GLY A 102 -0.425 -14.497 -0.681 1.00 53.13 H new ATOM 0 HA3 GLY A 102 0.378 -12.968 -0.978 1.00 53.13 H new ATOM 1539 N PRO A 103 -1.897 -13.362 -2.598 1.00 1.13 N ATOM 1540 CA PRO A 103 -2.750 -13.126 -3.776 1.00 25.35 C ATOM 1541 C PRO A 103 -2.321 -11.874 -4.565 1.00 42.52 C ATOM 1542 O PRO A 103 -2.385 -10.749 -4.057 1.00 3.12 O ATOM 1543 CB PRO A 103 -4.148 -12.949 -3.165 1.00 20.20 C ATOM 1544 CG PRO A 103 -3.899 -12.451 -1.780 1.00 40.40 C ATOM 1545 CD PRO A 103 -2.612 -13.095 -1.332 1.00 23.13 C ATOM 0 HA PRO A 103 -2.694 -13.938 -4.501 1.00 25.35 H new ATOM 0 HB2 PRO A 103 -4.744 -12.239 -3.739 1.00 20.20 H new ATOM 0 HB3 PRO A 103 -4.697 -13.891 -3.154 1.00 20.20 H new ATOM 0 HG2 PRO A 103 -3.817 -11.364 -1.765 1.00 40.40 H new ATOM 0 HG3 PRO A 103 -4.721 -12.718 -1.116 1.00 40.40 H new ATOM 0 HD2 PRO A 103 -2.040 -12.435 -0.680 1.00 23.13 H new ATOM 0 HD3 PRO A 103 -2.796 -14.013 -0.774 1.00 23.13 H new ATOM 1553 N THR A 104 -1.873 -12.073 -5.806 1.00 62.41 N ATOM 1554 CA THR A 104 -1.364 -10.967 -6.635 1.00 32.32 C ATOM 1555 C THR A 104 -2.003 -10.943 -8.027 1.00 1.02 C ATOM 1556 O THR A 104 -2.417 -11.973 -8.560 1.00 62.12 O ATOM 1557 CB THR A 104 0.175 -11.034 -6.815 1.00 61.11 C ATOM 1558 OG1 THR A 104 0.550 -12.220 -7.538 1.00 24.25 O ATOM 1559 CG2 THR A 104 0.885 -11.019 -5.469 1.00 41.24 C ATOM 0 H THR A 104 -1.850 -12.985 -6.262 1.00 62.41 H new ATOM 0 HA THR A 104 -1.632 -10.058 -6.096 1.00 32.32 H new ATOM 0 HB THR A 104 0.477 -10.154 -7.383 1.00 61.11 H new ATOM 0 HG1 THR A 104 1.231 -11.995 -8.205 1.00 24.25 H new ATOM 0 HG21 THR A 104 1.963 -11.067 -5.626 1.00 41.24 H new ATOM 0 HG22 THR A 104 0.636 -10.101 -4.937 1.00 41.24 H new ATOM 0 HG23 THR A 104 0.565 -11.878 -4.879 1.00 41.24 H new ATOM 1567 N GLU A 105 -2.076 -9.746 -8.595 1.00 51.40 N ATOM 1568 CA GLU A 105 -2.562 -9.530 -9.963 1.00 40.31 C ATOM 1569 C GLU A 105 -1.522 -8.743 -10.769 1.00 64.12 C ATOM 1570 O GLU A 105 -0.521 -8.283 -10.224 1.00 31.33 O ATOM 1571 CB GLU A 105 -3.879 -8.741 -9.940 1.00 53.35 C ATOM 1572 CG GLU A 105 -5.006 -9.417 -9.180 1.00 63.54 C ATOM 1573 CD GLU A 105 -6.211 -8.499 -8.999 1.00 44.33 C ATOM 1574 OE1 GLU A 105 -6.145 -7.583 -8.153 1.00 73.23 O ATOM 1575 OE2 GLU A 105 -7.214 -8.662 -9.729 1.00 65.31 O ATOM 0 H GLU A 105 -1.799 -8.887 -8.120 1.00 51.40 H new ATOM 0 HA GLU A 105 -2.729 -10.501 -10.428 1.00 40.31 H new ATOM 0 HB2 GLU A 105 -3.694 -7.763 -9.496 1.00 53.35 H new ATOM 0 HB3 GLU A 105 -4.202 -8.569 -10.967 1.00 53.35 H new ATOM 0 HG2 GLU A 105 -5.313 -10.316 -9.714 1.00 63.54 H new ATOM 0 HG3 GLU A 105 -4.643 -9.735 -8.202 1.00 63.54 H new ATOM 1582 N GLY A 106 -1.764 -8.569 -12.056 1.00 14.03 N ATOM 1583 CA GLY A 106 -0.849 -7.773 -12.875 1.00 65.15 C ATOM 1584 C GLY A 106 -0.745 -8.205 -14.333 1.00 2.00 C ATOM 1585 O GLY A 106 -1.035 -9.351 -14.687 1.00 14.21 O ATOM 0 H GLY A 106 -2.566 -8.956 -12.554 1.00 14.03 H new ATOM 0 HA2 GLY A 106 -1.169 -6.732 -12.843 1.00 65.15 H new ATOM 0 HA3 GLY A 106 0.144 -7.815 -12.428 1.00 65.15 H new ATOM 1589 N ILE A 107 -0.301 -7.271 -15.169 1.00 42.41 N ATOM 1590 CA ILE A 107 -0.057 -7.524 -16.588 1.00 74.40 C ATOM 1591 C ILE A 107 1.212 -8.371 -16.787 1.00 21.02 C ATOM 1592 O ILE A 107 1.222 -9.308 -17.584 1.00 4.51 O ATOM 1593 CB ILE A 107 0.072 -6.191 -17.373 1.00 65.43 C ATOM 1594 CG1 ILE A 107 -1.231 -5.372 -17.258 1.00 30.51 C ATOM 1595 CG2 ILE A 107 0.412 -6.451 -18.839 1.00 20.23 C ATOM 1596 CD1 ILE A 107 -1.201 -4.056 -18.010 1.00 74.32 C ATOM 0 H ILE A 107 -0.099 -6.313 -14.882 1.00 42.41 H new ATOM 0 HA ILE A 107 -0.912 -8.079 -16.975 1.00 74.40 H new ATOM 0 HB ILE A 107 0.887 -5.615 -16.934 1.00 65.43 H new ATOM 0 HG12 ILE A 107 -2.060 -5.973 -17.631 1.00 30.51 H new ATOM 0 HG13 ILE A 107 -1.431 -5.173 -16.205 1.00 30.51 H new ATOM 0 HG21 ILE A 107 0.497 -5.501 -19.367 1.00 20.23 H new ATOM 0 HG22 ILE A 107 1.359 -6.988 -18.903 1.00 20.23 H new ATOM 0 HG23 ILE A 107 -0.376 -7.050 -19.295 1.00 20.23 H new ATOM 0 HD11 ILE A 107 -2.153 -3.541 -17.880 1.00 74.32 H new ATOM 0 HD12 ILE A 107 -0.395 -3.433 -17.622 1.00 74.32 H new ATOM 0 HD13 ILE A 107 -1.034 -4.246 -19.070 1.00 74.32 H new ATOM 1608 N ILE A 108 2.287 -8.046 -16.064 1.00 21.35 N ATOM 1609 CA ILE A 108 3.489 -8.886 -16.083 1.00 33.54 C ATOM 1610 C ILE A 108 3.236 -10.204 -15.347 1.00 65.54 C ATOM 1611 O ILE A 108 3.742 -11.263 -15.716 1.00 25.25 O ATOM 1612 CB ILE A 108 4.711 -8.149 -15.480 1.00 31.31 C ATOM 1613 CG1 ILE A 108 4.658 -8.064 -13.941 1.00 41.11 C ATOM 1614 CG2 ILE A 108 4.821 -6.753 -16.077 1.00 64.43 C ATOM 1615 CD1 ILE A 108 5.359 -9.206 -13.226 1.00 55.33 C ATOM 0 H ILE A 108 2.351 -7.221 -15.467 1.00 21.35 H new ATOM 0 HA ILE A 108 3.720 -9.107 -17.125 1.00 33.54 H new ATOM 0 HB ILE A 108 5.595 -8.733 -15.735 1.00 31.31 H new ATOM 0 HG12 ILE A 108 5.108 -7.123 -13.625 1.00 41.11 H new ATOM 0 HG13 ILE A 108 3.615 -8.040 -13.626 1.00 41.11 H new ATOM 0 HG21 ILE A 108 5.682 -6.241 -15.648 1.00 64.43 H new ATOM 0 HG22 ILE A 108 4.944 -6.828 -17.157 1.00 64.43 H new ATOM 0 HG23 ILE A 108 3.915 -6.189 -15.853 1.00 64.43 H new ATOM 0 HD11 ILE A 108 5.273 -9.068 -12.148 1.00 55.33 H new ATOM 0 HD12 ILE A 108 4.895 -10.151 -13.508 1.00 55.33 H new ATOM 0 HD13 ILE A 108 6.412 -9.220 -13.508 1.00 55.33 H new ATOM 1627 N GLU A 109 2.410 -10.108 -14.320 1.00 35.23 N ATOM 1628 CA GLU A 109 2.011 -11.255 -13.497 1.00 42.22 C ATOM 1629 C GLU A 109 1.072 -12.194 -14.268 1.00 33.12 C ATOM 1630 O GLU A 109 0.703 -13.268 -13.788 1.00 54.14 O ATOM 1631 CB GLU A 109 1.325 -10.739 -12.229 1.00 10.40 C ATOM 1632 CG GLU A 109 2.231 -9.877 -11.351 1.00 2.35 C ATOM 1633 CD GLU A 109 3.087 -10.704 -10.401 1.00 24.00 C ATOM 1634 OE1 GLU A 109 2.550 -11.203 -9.392 1.00 1.33 O ATOM 1635 OE2 GLU A 109 4.299 -10.863 -10.659 1.00 31.55 O ATOM 0 H GLU A 109 1.989 -9.227 -14.025 1.00 35.23 H new ATOM 0 HA GLU A 109 2.900 -11.828 -13.232 1.00 42.22 H new ATOM 0 HB2 GLU A 109 0.447 -10.158 -12.512 1.00 10.40 H new ATOM 0 HB3 GLU A 109 0.970 -11.589 -11.646 1.00 10.40 H new ATOM 0 HG2 GLU A 109 2.880 -9.274 -11.987 1.00 2.35 H new ATOM 0 HG3 GLU A 109 1.619 -9.185 -10.773 1.00 2.35 H new ATOM 1642 N SER A 110 0.685 -11.768 -15.464 1.00 25.14 N ATOM 1643 CA SER A 110 -0.163 -12.565 -16.354 1.00 70.12 C ATOM 1644 C SER A 110 0.568 -13.812 -16.882 1.00 53.43 C ATOM 1645 O SER A 110 -0.033 -14.877 -17.015 1.00 12.12 O ATOM 1646 CB SER A 110 -0.627 -11.695 -17.529 1.00 20.34 C ATOM 1647 OG SER A 110 -1.238 -12.462 -18.557 1.00 4.13 O ATOM 0 H SER A 110 0.948 -10.860 -15.848 1.00 25.14 H new ATOM 0 HA SER A 110 -1.023 -12.909 -15.780 1.00 70.12 H new ATOM 0 HB2 SER A 110 -1.333 -10.947 -17.168 1.00 20.34 H new ATOM 0 HB3 SER A 110 0.227 -11.156 -17.939 1.00 20.34 H new ATOM 0 HG SER A 110 -1.792 -11.878 -19.116 1.00 4.13 H new ATOM 1653 N ARG A 111 1.863 -13.679 -17.175 1.00 20.43 N ATOM 1654 CA ARG A 111 2.644 -14.790 -17.746 1.00 3.13 C ATOM 1655 C ARG A 111 4.155 -14.592 -17.548 1.00 24.03 C ATOM 1656 O ARG A 111 4.643 -13.466 -17.474 1.00 60.44 O ATOM 1657 CB ARG A 111 2.343 -14.959 -19.251 1.00 45.12 C ATOM 1658 CG ARG A 111 2.763 -13.772 -20.130 1.00 15.21 C ATOM 1659 CD ARG A 111 1.883 -12.545 -19.907 1.00 31.30 C ATOM 1660 NE ARG A 111 2.304 -11.397 -20.707 1.00 73.44 N ATOM 1661 CZ ARG A 111 1.550 -10.356 -20.939 1.00 74.43 C ATOM 1662 NH1 ARG A 111 0.321 -10.325 -20.522 1.00 74.41 N ATOM 1663 NH2 ARG A 111 2.016 -9.357 -21.608 1.00 11.23 N ATOM 0 H ARG A 111 2.395 -12.821 -17.029 1.00 20.43 H new ATOM 0 HA ARG A 111 2.343 -15.691 -17.212 1.00 3.13 H new ATOM 0 HB2 ARG A 111 2.849 -15.855 -19.610 1.00 45.12 H new ATOM 0 HB3 ARG A 111 1.273 -15.125 -19.377 1.00 45.12 H new ATOM 0 HG2 ARG A 111 3.801 -13.515 -19.918 1.00 15.21 H new ATOM 0 HG3 ARG A 111 2.715 -14.065 -21.179 1.00 15.21 H new ATOM 0 HD2 ARG A 111 0.850 -12.794 -20.152 1.00 31.30 H new ATOM 0 HD3 ARG A 111 1.904 -12.275 -18.851 1.00 31.30 H new ATOM 0 HE ARG A 111 3.242 -11.409 -21.108 1.00 73.44 H new ATOM 0 HH11 ARG A 111 -0.063 -11.118 -20.008 1.00 74.41 H new ATOM 0 HH12 ARG A 111 -0.260 -9.508 -20.708 1.00 74.41 H new ATOM 0 HH21 ARG A 111 2.974 -9.379 -21.957 1.00 11.23 H new ATOM 0 HH22 ARG A 111 1.426 -8.545 -21.789 1.00 11.23 H new ATOM 1677 N THR A 112 4.880 -15.705 -17.465 1.00 33.11 N ATOM 1678 CA THR A 112 6.346 -15.697 -17.347 1.00 35.43 C ATOM 1679 C THR A 112 7.005 -16.452 -18.513 1.00 13.34 C ATOM 1680 O THR A 112 6.322 -17.133 -19.284 1.00 10.45 O ATOM 1681 CB THR A 112 6.809 -16.360 -16.023 1.00 75.42 C ATOM 1682 OG1 THR A 112 6.136 -17.612 -15.832 1.00 5.44 O ATOM 1683 CG2 THR A 112 6.565 -15.455 -14.828 1.00 33.12 C ATOM 0 H THR A 112 4.473 -16.640 -17.477 1.00 33.11 H new ATOM 0 HA THR A 112 6.651 -14.651 -17.364 1.00 35.43 H new ATOM 0 HB THR A 112 7.882 -16.534 -16.100 1.00 75.42 H new ATOM 0 HG1 THR A 112 6.438 -18.021 -14.994 1.00 5.44 H new ATOM 0 HG21 THR A 112 6.902 -15.954 -13.919 1.00 33.12 H new ATOM 0 HG22 THR A 112 7.118 -14.524 -14.958 1.00 33.12 H new ATOM 0 HG23 THR A 112 5.500 -15.237 -14.748 1.00 33.12 H new ATOM 1691 N PRO A 113 8.338 -16.316 -18.689 1.00 73.44 N ATOM 1692 CA PRO A 113 9.099 -17.144 -19.630 1.00 44.14 C ATOM 1693 C PRO A 113 9.307 -18.568 -19.072 1.00 55.02 C ATOM 1694 O PRO A 113 8.338 -19.228 -18.683 1.00 51.04 O ATOM 1695 CB PRO A 113 10.440 -16.384 -19.786 1.00 32.02 C ATOM 1696 CG PRO A 113 10.252 -15.083 -19.074 1.00 30.22 C ATOM 1697 CD PRO A 113 9.208 -15.339 -18.027 1.00 42.33 C ATOM 0 HA PRO A 113 8.590 -17.284 -20.584 1.00 44.14 H new ATOM 0 HB2 PRO A 113 11.264 -16.951 -19.354 1.00 32.02 H new ATOM 0 HB3 PRO A 113 10.680 -16.224 -20.837 1.00 32.02 H new ATOM 0 HG2 PRO A 113 11.185 -14.746 -18.622 1.00 30.22 H new ATOM 0 HG3 PRO A 113 9.931 -14.302 -19.764 1.00 30.22 H new ATOM 0 HD2 PRO A 113 9.641 -15.736 -17.109 1.00 42.33 H new ATOM 0 HD3 PRO A 113 8.669 -14.430 -17.759 1.00 42.33 H new ATOM 1705 N ALA A 114 10.559 -19.024 -19.001 1.00 74.24 N ATOM 1706 CA ALA A 114 10.868 -20.395 -18.568 1.00 31.30 C ATOM 1707 C ALA A 114 12.372 -20.701 -18.655 1.00 73.33 C ATOM 1708 O ALA A 114 13.115 -20.020 -19.366 1.00 61.04 O ATOM 1709 CB ALA A 114 10.086 -21.398 -19.407 1.00 40.22 C ATOM 0 H ALA A 114 11.379 -18.466 -19.237 1.00 74.24 H new ATOM 0 HA ALA A 114 10.572 -20.482 -17.522 1.00 31.30 H new ATOM 0 HB1 ALA A 114 10.322 -22.410 -19.078 1.00 40.22 H new ATOM 0 HB2 ALA A 114 9.018 -21.218 -19.288 1.00 40.22 H new ATOM 0 HB3 ALA A 114 10.358 -21.285 -20.456 1.00 40.22 H new ATOM 1715 N GLY A 115 12.810 -21.733 -17.933 1.00 62.31 N ATOM 1716 CA GLY A 115 14.215 -22.132 -17.971 1.00 61.01 C ATOM 1717 C GLY A 115 14.560 -23.235 -16.970 1.00 41.45 C ATOM 1718 O GLY A 115 14.363 -23.072 -15.763 1.00 14.44 O ATOM 0 H GLY A 115 12.221 -22.300 -17.323 1.00 62.31 H new ATOM 0 HA2 GLY A 115 14.461 -22.474 -18.976 1.00 61.01 H new ATOM 0 HA3 GLY A 115 14.838 -21.261 -17.769 1.00 61.01 H new ATOM 1722 N ALA A 116 15.091 -24.354 -17.466 1.00 43.01 N ATOM 1723 CA ALA A 116 15.476 -25.484 -16.606 1.00 13.10 C ATOM 1724 C ALA A 116 16.727 -26.199 -17.142 1.00 54.41 C ATOM 1725 O ALA A 116 16.956 -26.251 -18.354 1.00 74.20 O ATOM 1726 CB ALA A 116 14.316 -26.468 -16.471 1.00 61.40 C ATOM 0 H ALA A 116 15.266 -24.506 -18.459 1.00 43.01 H new ATOM 0 HA ALA A 116 15.718 -25.086 -15.621 1.00 13.10 H new ATOM 0 HB1 ALA A 116 14.616 -27.299 -15.832 1.00 61.40 H new ATOM 0 HB2 ALA A 116 13.458 -25.961 -16.029 1.00 61.40 H new ATOM 0 HB3 ALA A 116 14.045 -26.848 -17.456 1.00 61.40 H new ATOM 1732 N ASP A 117 17.538 -26.747 -16.234 1.00 24.25 N ATOM 1733 CA ASP A 117 18.777 -27.442 -16.610 1.00 32.41 C ATOM 1734 C ASP A 117 19.204 -28.466 -15.535 1.00 64.13 C ATOM 1735 O ASP A 117 18.807 -28.368 -14.371 1.00 14.23 O ATOM 1736 CB ASP A 117 19.894 -26.414 -16.847 1.00 75.40 C ATOM 1737 CG ASP A 117 21.207 -27.057 -17.258 1.00 11.44 C ATOM 1738 OD1 ASP A 117 21.252 -27.686 -18.337 1.00 43.02 O ATOM 1739 OD2 ASP A 117 22.196 -26.948 -16.501 1.00 42.44 O ATOM 0 H ASP A 117 17.360 -26.724 -15.230 1.00 24.25 H new ATOM 0 HA ASP A 117 18.592 -27.995 -17.531 1.00 32.41 H new ATOM 0 HB2 ASP A 117 19.579 -25.714 -17.621 1.00 75.40 H new ATOM 0 HB3 ASP A 117 20.048 -25.835 -15.937 1.00 75.40 H new ATOM 1744 N ASP A 118 20.008 -29.452 -15.939 1.00 33.53 N ATOM 1745 CA ASP A 118 20.491 -30.500 -15.026 1.00 74.22 C ATOM 1746 C ASP A 118 22.011 -30.703 -15.154 1.00 23.34 C ATOM 1747 O ASP A 118 22.562 -30.688 -16.258 1.00 32.11 O ATOM 1748 CB ASP A 118 19.771 -31.823 -15.313 1.00 71.35 C ATOM 1749 CG ASP A 118 18.272 -31.729 -15.090 1.00 24.10 C ATOM 1750 OD1 ASP A 118 17.822 -31.987 -13.954 1.00 55.52 O ATOM 1751 OD2 ASP A 118 17.539 -31.387 -16.046 1.00 22.31 O ATOM 0 H ASP A 118 20.342 -29.550 -16.898 1.00 33.53 H new ATOM 0 HA ASP A 118 20.274 -30.177 -14.008 1.00 74.22 H new ATOM 0 HB2 ASP A 118 19.964 -32.122 -16.343 1.00 71.35 H new ATOM 0 HB3 ASP A 118 20.182 -32.603 -14.672 1.00 71.35 H new ATOM 1756 N TYR A 119 22.685 -30.904 -14.021 1.00 22.03 N ATOM 1757 CA TYR A 119 24.134 -31.141 -14.010 1.00 63.44 C ATOM 1758 C TYR A 119 24.448 -32.644 -14.119 1.00 23.05 C ATOM 1759 O TYR A 119 23.930 -33.457 -13.349 1.00 50.33 O ATOM 1760 CB TYR A 119 24.759 -30.564 -12.729 1.00 31.21 C ATOM 1761 CG TYR A 119 26.261 -30.775 -12.629 1.00 42.40 C ATOM 1762 CD1 TYR A 119 27.146 -29.959 -13.325 1.00 52.40 C ATOM 1763 CD2 TYR A 119 26.790 -31.793 -11.843 1.00 51.25 C ATOM 1764 CE1 TYR A 119 28.512 -30.153 -13.239 1.00 44.13 C ATOM 1765 CE2 TYR A 119 28.153 -31.991 -11.751 1.00 4.24 C ATOM 1766 CZ TYR A 119 29.010 -31.169 -12.452 1.00 61.34 C ATOM 1767 OH TYR A 119 30.371 -31.367 -12.364 1.00 24.21 O ATOM 0 H TYR A 119 22.253 -30.908 -13.097 1.00 22.03 H new ATOM 0 HA TYR A 119 24.565 -30.637 -14.875 1.00 63.44 H new ATOM 0 HB2 TYR A 119 24.548 -29.496 -12.683 1.00 31.21 H new ATOM 0 HB3 TYR A 119 24.279 -31.022 -11.864 1.00 31.21 H new ATOM 0 HD1 TYR A 119 26.760 -29.161 -13.942 1.00 52.40 H new ATOM 0 HD2 TYR A 119 26.122 -32.441 -11.294 1.00 51.25 H new ATOM 0 HE1 TYR A 119 29.186 -29.511 -13.786 1.00 44.13 H new ATOM 0 HE2 TYR A 119 28.546 -32.785 -11.134 1.00 4.24 H new ATOM 0 HH TYR A 119 30.554 -32.123 -11.767 1.00 24.21 H new ATOM 1777 N ASN A 120 25.301 -33.007 -15.075 1.00 54.03 N ATOM 1778 CA ASN A 120 25.678 -34.410 -15.284 1.00 72.22 C ATOM 1779 C ASN A 120 26.553 -34.939 -14.133 1.00 21.42 C ATOM 1780 O ASN A 120 27.778 -34.818 -14.160 1.00 14.23 O ATOM 1781 CB ASN A 120 26.412 -34.572 -16.623 1.00 63.05 C ATOM 1782 CG ASN A 120 25.576 -34.111 -17.806 1.00 10.43 C ATOM 1783 OD1 ASN A 120 24.754 -33.210 -17.690 1.00 51.23 O ATOM 1784 ND2 ASN A 120 25.783 -34.717 -18.956 1.00 41.13 N ATOM 0 H ASN A 120 25.746 -32.352 -15.718 1.00 54.03 H new ATOM 0 HA ASN A 120 24.761 -34.999 -15.305 1.00 72.22 H new ATOM 0 HB2 ASN A 120 27.341 -34.003 -16.595 1.00 63.05 H new ATOM 0 HB3 ASN A 120 26.683 -35.619 -16.760 1.00 63.05 H new ATOM 0 HD21 ASN A 120 25.252 -34.440 -19.782 1.00 41.13 H new ATOM 0 HD22 ASN A 120 26.474 -35.464 -19.022 1.00 41.13 H new ATOM 1791 N VAL A 121 25.916 -35.507 -13.112 1.00 64.13 N ATOM 1792 CA VAL A 121 26.630 -36.060 -11.955 1.00 71.01 C ATOM 1793 C VAL A 121 27.288 -37.421 -12.270 1.00 53.23 C ATOM 1794 O VAL A 121 26.805 -38.481 -11.860 1.00 23.43 O ATOM 1795 CB VAL A 121 25.689 -36.185 -10.728 1.00 24.44 C ATOM 1796 CG1 VAL A 121 25.339 -34.803 -10.180 1.00 31.21 C ATOM 1797 CG2 VAL A 121 24.416 -36.955 -11.087 1.00 61.43 C ATOM 0 H VAL A 121 24.901 -35.598 -13.059 1.00 64.13 H new ATOM 0 HA VAL A 121 27.429 -35.359 -11.714 1.00 71.01 H new ATOM 0 HB VAL A 121 26.216 -36.744 -9.955 1.00 24.44 H new ATOM 0 HG11 VAL A 121 24.678 -34.909 -9.320 1.00 31.21 H new ATOM 0 HG12 VAL A 121 26.252 -34.291 -9.876 1.00 31.21 H new ATOM 0 HG13 VAL A 121 24.837 -34.221 -10.953 1.00 31.21 H new ATOM 0 HG21 VAL A 121 23.775 -37.028 -10.209 1.00 61.43 H new ATOM 0 HG22 VAL A 121 23.885 -36.430 -11.881 1.00 61.43 H new ATOM 0 HG23 VAL A 121 24.680 -37.956 -11.427 1.00 61.43 H new ATOM 1807 N VAL A 122 28.397 -37.381 -13.010 1.00 50.24 N ATOM 1808 CA VAL A 122 29.115 -38.597 -13.412 1.00 2.12 C ATOM 1809 C VAL A 122 30.584 -38.570 -12.947 1.00 50.05 C ATOM 1810 O VAL A 122 31.416 -37.861 -13.520 1.00 25.14 O ATOM 1811 CB VAL A 122 29.064 -38.796 -14.950 1.00 30.11 C ATOM 1812 CG1 VAL A 122 29.744 -40.104 -15.357 1.00 1.01 C ATOM 1813 CG2 VAL A 122 27.619 -38.754 -15.451 1.00 74.23 C ATOM 0 H VAL A 122 28.821 -36.516 -13.346 1.00 50.24 H new ATOM 0 HA VAL A 122 28.612 -39.434 -12.927 1.00 2.12 H new ATOM 0 HB VAL A 122 29.611 -37.976 -15.416 1.00 30.11 H new ATOM 0 HG11 VAL A 122 29.694 -40.219 -16.440 1.00 1.01 H new ATOM 0 HG12 VAL A 122 30.787 -40.085 -15.042 1.00 1.01 H new ATOM 0 HG13 VAL A 122 29.236 -40.942 -14.880 1.00 1.01 H new ATOM 0 HG21 VAL A 122 27.604 -38.895 -16.532 1.00 74.23 H new ATOM 0 HG22 VAL A 122 27.045 -39.548 -14.973 1.00 74.23 H new ATOM 0 HG23 VAL A 122 27.177 -37.789 -15.205 1.00 74.23 H new ATOM 1823 N SER A 123 30.886 -39.340 -11.901 1.00 63.43 N ATOM 1824 CA SER A 123 32.254 -39.443 -11.360 1.00 1.12 C ATOM 1825 C SER A 123 32.324 -40.500 -10.253 1.00 52.40 C ATOM 1826 O SER A 123 31.871 -40.268 -9.132 1.00 72.42 O ATOM 1827 CB SER A 123 32.733 -38.088 -10.810 1.00 63.34 C ATOM 1828 OG SER A 123 34.057 -38.170 -10.298 1.00 2.04 O ATOM 0 H SER A 123 30.200 -39.908 -11.404 1.00 63.43 H new ATOM 0 HA SER A 123 32.909 -39.742 -12.178 1.00 1.12 H new ATOM 0 HB2 SER A 123 32.694 -37.339 -11.601 1.00 63.34 H new ATOM 0 HB3 SER A 123 32.057 -37.755 -10.022 1.00 63.34 H new ATOM 0 HG SER A 123 34.331 -37.293 -9.958 1.00 2.04 H new ATOM 1834 N ARG A 124 32.885 -41.668 -10.569 1.00 74.23 N ATOM 1835 CA ARG A 124 32.947 -42.776 -9.606 1.00 43.20 C ATOM 1836 C ARG A 124 34.019 -43.806 -10.005 1.00 35.43 C ATOM 1837 O ARG A 124 33.883 -44.500 -11.016 1.00 64.43 O ATOM 1838 CB ARG A 124 31.563 -43.452 -9.498 1.00 41.35 C ATOM 1839 CG ARG A 124 31.142 -43.798 -8.070 1.00 31.31 C ATOM 1840 CD ARG A 124 32.024 -44.869 -7.437 1.00 34.44 C ATOM 1841 NE ARG A 124 31.658 -45.114 -6.042 1.00 55.31 N ATOM 1842 CZ ARG A 124 32.156 -46.067 -5.304 1.00 71.14 C ATOM 1843 NH1 ARG A 124 33.028 -46.893 -5.789 1.00 10.01 N ATOM 1844 NH2 ARG A 124 31.778 -46.187 -4.074 1.00 44.32 N ATOM 0 H ARG A 124 33.301 -41.874 -11.477 1.00 74.23 H new ATOM 0 HA ARG A 124 33.226 -42.370 -8.634 1.00 43.20 H new ATOM 0 HB2 ARG A 124 30.814 -42.792 -9.935 1.00 41.35 H new ATOM 0 HB3 ARG A 124 31.570 -44.365 -10.094 1.00 41.35 H new ATOM 0 HG2 ARG A 124 31.176 -42.897 -7.458 1.00 31.31 H new ATOM 0 HG3 ARG A 124 30.108 -44.141 -8.074 1.00 31.31 H new ATOM 0 HD2 ARG A 124 31.936 -45.795 -8.005 1.00 34.44 H new ATOM 0 HD3 ARG A 124 33.068 -44.560 -7.491 1.00 34.44 H new ATOM 0 HE ARG A 124 30.966 -44.497 -5.617 1.00 55.31 H new ATOM 0 HH11 ARG A 124 33.333 -46.802 -6.758 1.00 10.01 H new ATOM 0 HH12 ARG A 124 33.410 -47.634 -5.202 1.00 10.01 H new ATOM 0 HH21 ARG A 124 31.094 -45.538 -3.685 1.00 44.32 H new ATOM 0 HH22 ARG A 124 32.164 -46.930 -3.492 1.00 44.32 H new ATOM 1858 N LEU A 125 35.075 -43.914 -9.196 1.00 43.44 N ATOM 1859 CA LEU A 125 36.176 -44.852 -9.467 1.00 51.41 C ATOM 1860 C LEU A 125 36.906 -45.268 -8.177 1.00 43.12 C ATOM 1861 O LEU A 125 36.865 -44.561 -7.167 1.00 64.24 O ATOM 1862 CB LEU A 125 37.161 -44.253 -10.498 1.00 1.52 C ATOM 1863 CG LEU A 125 37.620 -42.795 -10.253 1.00 23.42 C ATOM 1864 CD1 LEU A 125 38.578 -42.689 -9.064 1.00 65.52 C ATOM 1865 CD2 LEU A 125 38.265 -42.222 -11.514 1.00 3.13 C ATOM 0 H LEU A 125 35.195 -43.364 -8.345 1.00 43.44 H new ATOM 0 HA LEU A 125 35.741 -45.756 -9.893 1.00 51.41 H new ATOM 0 HB2 LEU A 125 38.047 -44.888 -10.532 1.00 1.52 H new ATOM 0 HB3 LEU A 125 36.696 -44.303 -11.482 1.00 1.52 H new ATOM 0 HG LEU A 125 36.734 -42.209 -10.009 1.00 23.42 H new ATOM 0 HD11 LEU A 125 38.875 -41.649 -8.928 1.00 65.52 H new ATOM 0 HD12 LEU A 125 38.080 -43.045 -8.162 1.00 65.52 H new ATOM 0 HD13 LEU A 125 39.462 -43.297 -9.254 1.00 65.52 H new ATOM 0 HD21 LEU A 125 38.583 -41.196 -11.326 1.00 3.13 H new ATOM 0 HD22 LEU A 125 39.131 -42.826 -11.786 1.00 3.13 H new ATOM 0 HD23 LEU A 125 37.543 -42.234 -12.330 1.00 3.13 H new ATOM 1877 N GLU A 126 37.581 -46.417 -8.221 1.00 25.01 N ATOM 1878 CA GLU A 126 38.273 -46.956 -7.042 1.00 44.45 C ATOM 1879 C GLU A 126 39.565 -47.711 -7.418 1.00 31.42 C ATOM 1880 O GLU A 126 39.670 -48.295 -8.501 1.00 44.11 O ATOM 1881 CB GLU A 126 37.334 -47.898 -6.274 1.00 33.51 C ATOM 1882 CG GLU A 126 37.920 -48.424 -4.968 1.00 20.13 C ATOM 1883 CD GLU A 126 37.066 -49.511 -4.337 1.00 25.22 C ATOM 1884 OE1 GLU A 126 36.026 -49.182 -3.733 1.00 12.05 O ATOM 1885 OE2 GLU A 126 37.438 -50.698 -4.442 1.00 24.05 O ATOM 0 H GLU A 126 37.665 -46.994 -9.058 1.00 25.01 H new ATOM 0 HA GLU A 126 38.554 -46.110 -6.415 1.00 44.45 H new ATOM 0 HB2 GLU A 126 36.404 -47.372 -6.058 1.00 33.51 H new ATOM 0 HB3 GLU A 126 37.080 -48.743 -6.914 1.00 33.51 H new ATOM 0 HG2 GLU A 126 38.920 -48.816 -5.155 1.00 20.13 H new ATOM 0 HG3 GLU A 126 38.028 -47.598 -4.265 1.00 20.13 H new ATOM 1892 N HIS A 127 40.544 -47.696 -6.512 1.00 5.12 N ATOM 1893 CA HIS A 127 41.802 -48.432 -6.701 1.00 34.35 C ATOM 1894 C HIS A 127 42.161 -49.253 -5.449 1.00 34.52 C ATOM 1895 O HIS A 127 42.926 -48.800 -4.596 1.00 61.13 O ATOM 1896 CB HIS A 127 42.953 -47.471 -7.036 1.00 54.20 C ATOM 1897 CG HIS A 127 42.801 -46.754 -8.344 1.00 35.44 C ATOM 1898 ND1 HIS A 127 43.382 -47.193 -9.511 1.00 2.21 N ATOM 1899 CD2 HIS A 127 42.140 -45.617 -8.666 1.00 33.54 C ATOM 1900 CE1 HIS A 127 43.089 -46.363 -10.488 1.00 40.11 C ATOM 1901 NE2 HIS A 127 42.337 -45.399 -10.007 1.00 53.04 N ATOM 0 H HIS A 127 40.492 -47.180 -5.634 1.00 5.12 H new ATOM 0 HA HIS A 127 41.656 -49.117 -7.537 1.00 34.35 H new ATOM 0 HB2 HIS A 127 43.037 -46.733 -6.239 1.00 54.20 H new ATOM 0 HB3 HIS A 127 43.887 -48.033 -7.050 1.00 54.20 H new ATOM 0 HD2 HIS A 127 41.565 -44.997 -7.994 1.00 33.54 H new ATOM 0 HE1 HIS A 127 43.412 -46.458 -11.514 1.00 40.11 H new ATOM 0 HE2 HIS A 127 41.961 -44.616 -10.542 1.00 53.04 H new ATOM 1910 N HIS A 128 41.584 -50.449 -5.331 1.00 54.23 N ATOM 1911 CA HIS A 128 41.913 -51.368 -4.232 1.00 75.55 C ATOM 1912 C HIS A 128 42.378 -52.730 -4.765 1.00 65.02 C ATOM 1913 O HIS A 128 41.641 -53.412 -5.480 1.00 15.13 O ATOM 1914 CB HIS A 128 40.706 -51.565 -3.303 1.00 33.42 C ATOM 1915 CG HIS A 128 40.345 -50.351 -2.501 1.00 53.11 C ATOM 1916 ND1 HIS A 128 39.052 -50.056 -2.125 1.00 25.25 N ATOM 1917 CD2 HIS A 128 41.116 -49.372 -1.972 1.00 65.00 C ATOM 1918 CE1 HIS A 128 39.044 -48.955 -1.401 1.00 72.45 C ATOM 1919 NE2 HIS A 128 40.281 -48.521 -1.294 1.00 72.24 N ATOM 0 H HIS A 128 40.885 -50.808 -5.982 1.00 54.23 H new ATOM 0 HA HIS A 128 42.729 -50.917 -3.666 1.00 75.55 H new ATOM 0 HB2 HIS A 128 39.845 -51.861 -3.902 1.00 33.42 H new ATOM 0 HB3 HIS A 128 40.917 -52.388 -2.621 1.00 33.42 H new ATOM 0 HD2 HIS A 128 42.188 -49.279 -2.066 1.00 65.00 H new ATOM 0 HE1 HIS A 128 38.171 -48.489 -0.969 1.00 72.45 H new ATOM 0 HE2 HIS A 128 40.573 -47.685 -0.788 1.00 72.24 H new ATOM 1928 N HIS A 129 43.603 -53.114 -4.421 1.00 61.11 N ATOM 1929 CA HIS A 129 44.146 -54.418 -4.810 1.00 61.24 C ATOM 1930 C HIS A 129 45.223 -54.885 -3.818 1.00 42.41 C ATOM 1931 O HIS A 129 46.352 -54.395 -3.842 1.00 25.21 O ATOM 1932 CB HIS A 129 44.730 -54.347 -6.227 1.00 34.43 C ATOM 1933 CG HIS A 129 45.310 -55.647 -6.702 1.00 54.30 C ATOM 1934 ND1 HIS A 129 46.619 -56.017 -6.477 1.00 71.23 N ATOM 1935 CD2 HIS A 129 44.751 -56.671 -7.388 1.00 42.20 C ATOM 1936 CE1 HIS A 129 46.839 -57.204 -7.003 1.00 31.04 C ATOM 1937 NE2 HIS A 129 45.724 -57.622 -7.560 1.00 22.34 N ATOM 0 H HIS A 129 44.243 -52.541 -3.872 1.00 61.11 H new ATOM 0 HA HIS A 129 43.332 -55.143 -4.796 1.00 61.24 H new ATOM 0 HB2 HIS A 129 43.948 -54.033 -6.918 1.00 34.43 H new ATOM 0 HB3 HIS A 129 45.505 -53.581 -6.254 1.00 34.43 H new ATOM 0 HD2 HIS A 129 43.730 -56.728 -7.735 1.00 42.20 H new ATOM 0 HE1 HIS A 129 47.775 -57.742 -6.981 1.00 31.04 H new ATOM 0 HE2 HIS A 129 45.602 -58.512 -8.043 1.00 22.34 H new ATOM 1946 N HIS A 130 44.873 -55.838 -2.954 1.00 73.20 N ATOM 1947 CA HIS A 130 45.806 -56.327 -1.930 1.00 31.23 C ATOM 1948 C HIS A 130 45.972 -57.861 -1.991 1.00 53.13 C ATOM 1949 O HIS A 130 46.538 -58.473 -1.084 1.00 15.02 O ATOM 1950 CB HIS A 130 45.323 -55.890 -0.538 1.00 62.34 C ATOM 1951 CG HIS A 130 46.327 -56.125 0.552 1.00 24.34 C ATOM 1952 ND1 HIS A 130 46.225 -57.153 1.462 1.00 24.44 N ATOM 1953 CD2 HIS A 130 47.460 -55.458 0.873 1.00 3.41 C ATOM 1954 CE1 HIS A 130 47.247 -57.110 2.291 1.00 74.23 C ATOM 1955 NE2 HIS A 130 48.012 -56.094 1.955 1.00 24.01 N ATOM 0 H HIS A 130 43.957 -56.286 -2.940 1.00 73.20 H new ATOM 0 HA HIS A 130 46.785 -55.890 -2.127 1.00 31.23 H new ATOM 0 HB2 HIS A 130 45.073 -54.829 -0.567 1.00 62.34 H new ATOM 0 HB3 HIS A 130 44.406 -56.427 -0.297 1.00 62.34 H new ATOM 0 HD2 HIS A 130 47.855 -54.587 0.371 1.00 3.41 H new ATOM 0 HE1 HIS A 130 47.427 -57.793 3.108 1.00 74.23 H new ATOM 0 HE2 HIS A 130 48.876 -55.823 2.424 1.00 24.01 H new ATOM 1964 N HIS A 131 45.491 -58.474 -3.070 1.00 74.42 N ATOM 1965 CA HIS A 131 45.635 -59.924 -3.265 1.00 75.22 C ATOM 1966 C HIS A 131 47.119 -60.332 -3.375 1.00 24.25 C ATOM 1967 O HIS A 131 47.816 -59.923 -4.306 1.00 14.24 O ATOM 1968 CB HIS A 131 44.870 -60.366 -4.524 1.00 55.13 C ATOM 1969 CG HIS A 131 45.014 -61.829 -4.844 1.00 22.10 C ATOM 1970 ND1 HIS A 131 44.379 -62.824 -4.131 1.00 12.01 N ATOM 1971 CD2 HIS A 131 45.732 -62.463 -5.803 1.00 24.13 C ATOM 1972 CE1 HIS A 131 44.700 -63.999 -4.634 1.00 71.11 C ATOM 1973 NE2 HIS A 131 45.517 -63.807 -5.646 1.00 32.43 N ATOM 0 H HIS A 131 44.998 -57.995 -3.824 1.00 74.42 H new ATOM 0 HA HIS A 131 45.213 -60.424 -2.393 1.00 75.22 H new ATOM 0 HB2 HIS A 131 43.813 -60.135 -4.394 1.00 55.13 H new ATOM 0 HB3 HIS A 131 45.222 -59.782 -5.374 1.00 55.13 H new ATOM 0 HD2 HIS A 131 46.356 -61.996 -6.551 1.00 24.13 H new ATOM 0 HE1 HIS A 131 44.351 -64.956 -4.276 1.00 71.11 H new ATOM 0 HE2 HIS A 131 45.926 -64.542 -6.223 1.00 32.43 H new ATOM 1982 N HIS A 132 47.594 -61.143 -2.423 1.00 43.54 N ATOM 1983 CA HIS A 132 48.991 -61.599 -2.416 1.00 65.02 C ATOM 1984 C HIS A 132 49.316 -62.465 -3.643 1.00 11.44 C ATOM 1985 O HIS A 132 48.465 -63.219 -4.135 1.00 42.35 O ATOM 1986 CB HIS A 132 49.311 -62.365 -1.115 1.00 70.31 C ATOM 1987 CG HIS A 132 48.442 -63.566 -0.848 1.00 72.41 C ATOM 1988 ND1 HIS A 132 47.575 -63.644 0.221 1.00 5.24 N ATOM 1989 CD2 HIS A 132 48.330 -64.752 -1.498 1.00 0.02 C ATOM 1990 CE1 HIS A 132 46.974 -64.818 0.220 1.00 10.44 C ATOM 1991 NE2 HIS A 132 47.413 -65.507 -0.810 1.00 25.13 N ATOM 0 H HIS A 132 47.033 -61.497 -1.648 1.00 43.54 H new ATOM 0 HA HIS A 132 49.621 -60.711 -2.463 1.00 65.02 H new ATOM 0 HB2 HIS A 132 50.351 -62.689 -1.150 1.00 70.31 H new ATOM 0 HB3 HIS A 132 49.220 -61.676 -0.275 1.00 70.31 H new ATOM 0 HD2 HIS A 132 48.863 -65.047 -2.390 1.00 0.02 H new ATOM 0 HE1 HIS A 132 46.245 -65.156 0.942 1.00 10.44 H new ATOM 0 HE2 HIS A 132 47.119 -66.452 -1.058 1.00 25.13 H new TER 2000 HIS A 132