USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 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 107 HIS : no HE2:sc= -6.13! C(o=-11!,f=-11!) USER MOD Set 1.2: A 111 ASN : amide:sc= -3.66! C(o=-11!,f=-11!) USER MOD Set 1.3: B 34 MET CE :methyl -161:sc= -0.793 (180deg=-1.05) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -152:sc= -0.235 (180deg=-1.23!) USER MOD Single : A 79 THR OG1 : rot 142:sc= 0.0629 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -143:sc= -2.31! (180deg=-6.96!) USER MOD Single : A 97 ASN : amide:sc= -8.73! C(o=-8.7!,f=-3.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -163:sc= -2.04 (180deg=-2.62) USER MOD Single : A 110 THR OG1 : rot -81:sc= 1.31 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00203 USER MOD Single : A 124 MET CE :methyl -109:sc= -0.0801 (180deg=-0.35) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= 0.122 K(o=0.12,f=-4.9!) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.465 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -176:sc= -0.518 (180deg=-0.57) USER MOD Single : A 145 MET CE :methyl -149:sc= 0 (180deg=-0.233) USER MOD Single : A 146 THR OG1 : rot -88:sc= 0.846 USER MOD Single : A 148 LYS NZ :NH3+ 159:sc= -0.0142 (180deg=-0.225) USER MOD Single : B 39 THR OG1 : rot 145:sc= 1.16 USER MOD Single : B 47 GLN : amide:sc= -6.15! C(o=-6.2!,f=-15!) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.9!) USER MOD Single : B 52 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.233) USER MOD Single : B 54 GLN : amide:sc= -0.312 K(o=-0.31,f=-0.81) USER MOD Single : B 55 LYS NZ :NH3+ -160:sc= -0.0774 (180deg=-0.578) USER MOD Single : B 56 LYS NZ :NH3+ 150:sc= -0.149 (180deg=-1.09) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 62 SER OG : rot -2:sc= 0.84 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 76 12.157 -16.934 -21.476 1.00 0.00 N ATOM 2 CA MET A 76 11.682 -15.962 -22.500 1.00 0.00 C ATOM 3 C MET A 76 10.913 -14.834 -21.818 1.00 0.00 C ATOM 4 O MET A 76 11.505 -13.842 -21.393 1.00 0.00 O ATOM 5 CB MET A 76 10.786 -16.678 -23.515 1.00 0.00 C ATOM 6 CG MET A 76 10.101 -17.879 -22.854 1.00 0.00 C ATOM 7 SD MET A 76 8.947 -18.633 -24.027 1.00 0.00 S ATOM 8 CE MET A 76 8.478 -20.050 -23.004 1.00 0.00 C ATOM 0 HA MET A 76 12.538 -15.538 -23.025 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.036 -15.988 -23.901 1.00 0.00 H new ATOM 0 HB3 MET A 76 11.380 -17.011 -24.366 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.847 -18.609 -22.540 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.569 -17.560 -21.957 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.757 -20.665 -23.543 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.363 -20.644 -22.777 1.00 0.00 H new ATOM 0 HE3 MET A 76 8.031 -19.696 -22.075 1.00 0.00 H new ATOM 20 N LYS A 77 9.594 -14.989 -21.723 1.00 0.00 N ATOM 21 CA LYS A 77 8.754 -13.971 -21.096 1.00 0.00 C ATOM 22 C LYS A 77 8.140 -14.495 -19.799 1.00 0.00 C ATOM 23 O LYS A 77 7.465 -15.525 -19.790 1.00 0.00 O ATOM 24 CB LYS A 77 7.641 -13.555 -22.064 1.00 0.00 C ATOM 25 CG LYS A 77 6.806 -12.424 -21.443 1.00 0.00 C ATOM 26 CD LYS A 77 5.692 -11.990 -22.407 1.00 0.00 C ATOM 27 CE LYS A 77 6.244 -11.023 -23.461 1.00 0.00 C ATOM 28 NZ LYS A 77 6.791 -9.814 -22.783 1.00 0.00 N ATOM 0 H LYS A 77 9.087 -15.803 -22.069 1.00 0.00 H new ATOM 0 HA LYS A 77 9.376 -13.108 -20.858 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.073 -13.224 -23.008 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.003 -14.410 -22.288 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.371 -12.759 -20.502 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.448 -11.574 -21.212 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.264 -12.865 -22.896 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.887 -11.510 -21.850 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.024 -11.511 -24.045 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.456 -10.738 -24.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.725 -8.997 -23.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.243 -9.622 -21.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.787 -9.978 -22.532 1.00 0.00 H new ATOM 42 N ASP A 78 8.370 -13.768 -18.710 1.00 0.00 N ATOM 43 CA ASP A 78 7.831 -14.148 -17.408 1.00 0.00 C ATOM 44 C ASP A 78 6.674 -13.227 -17.034 1.00 0.00 C ATOM 45 O ASP A 78 6.415 -12.239 -17.721 1.00 0.00 O ATOM 46 CB ASP A 78 8.925 -14.062 -16.342 1.00 0.00 C ATOM 47 CG ASP A 78 9.934 -15.188 -16.539 1.00 0.00 C ATOM 48 OD1 ASP A 78 9.634 -16.101 -17.290 1.00 0.00 O ATOM 49 OD2 ASP A 78 10.992 -15.121 -15.935 1.00 0.00 O ATOM 0 H ASP A 78 8.926 -12.913 -18.703 1.00 0.00 H new ATOM 0 HA ASP A 78 7.468 -15.174 -17.464 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.428 -13.097 -16.402 1.00 0.00 H new ATOM 0 HB3 ASP A 78 8.482 -14.129 -15.348 1.00 0.00 H new ATOM 54 N THR A 79 5.975 -13.552 -15.951 1.00 0.00 N ATOM 55 CA THR A 79 4.844 -12.740 -15.514 1.00 0.00 C ATOM 56 C THR A 79 5.309 -11.353 -15.082 1.00 0.00 C ATOM 57 O THR A 79 6.434 -10.947 -15.373 1.00 0.00 O ATOM 58 CB THR A 79 4.127 -13.427 -14.350 1.00 0.00 C ATOM 59 OG1 THR A 79 5.009 -13.517 -13.240 1.00 0.00 O ATOM 60 CG2 THR A 79 3.691 -14.830 -14.775 1.00 0.00 C ATOM 0 H THR A 79 6.169 -14.364 -15.365 1.00 0.00 H new ATOM 0 HA THR A 79 4.156 -12.632 -16.352 1.00 0.00 H new ATOM 0 HB THR A 79 3.248 -12.846 -14.069 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.510 -13.355 -12.412 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.180 -15.319 -13.946 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.014 -14.758 -15.626 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.567 -15.414 -15.056 1.00 0.00 H new ATOM 68 N ASP A 80 4.432 -10.632 -14.387 1.00 0.00 N ATOM 69 CA ASP A 80 4.752 -9.287 -13.917 1.00 0.00 C ATOM 70 C ASP A 80 4.882 -9.260 -12.397 1.00 0.00 C ATOM 71 O ASP A 80 4.293 -10.083 -11.700 1.00 0.00 O ATOM 72 CB ASP A 80 3.660 -8.308 -14.353 1.00 0.00 C ATOM 73 CG ASP A 80 3.729 -8.084 -15.860 1.00 0.00 C ATOM 74 OD1 ASP A 80 4.728 -8.462 -16.449 1.00 0.00 O ATOM 75 OD2 ASP A 80 2.783 -7.537 -16.402 1.00 0.00 O ATOM 0 H ASP A 80 3.497 -10.956 -14.138 1.00 0.00 H new ATOM 0 HA ASP A 80 5.705 -8.991 -14.355 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.680 -8.699 -14.080 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.781 -7.359 -13.830 1.00 0.00 H new ATOM 80 N SER A 81 5.653 -8.301 -11.895 1.00 0.00 N ATOM 81 CA SER A 81 5.859 -8.150 -10.456 1.00 0.00 C ATOM 82 C SER A 81 4.679 -7.424 -9.826 1.00 0.00 C ATOM 83 O SER A 81 4.606 -7.276 -8.610 1.00 0.00 O ATOM 84 CB SER A 81 7.145 -7.374 -10.180 1.00 0.00 C ATOM 85 OG SER A 81 8.256 -8.114 -10.670 1.00 0.00 O ATOM 0 H SER A 81 6.148 -7.614 -12.464 1.00 0.00 H new ATOM 0 HA SER A 81 5.943 -9.144 -10.016 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.104 -6.397 -10.661 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.254 -7.198 -9.110 1.00 0.00 H new ATOM 0 HG SER A 81 9.083 -7.617 -10.496 1.00 0.00 H new ATOM 91 N GLU A 82 3.761 -6.961 -10.658 1.00 0.00 N ATOM 92 CA GLU A 82 2.602 -6.245 -10.152 1.00 0.00 C ATOM 93 C GLU A 82 1.857 -7.132 -9.167 1.00 0.00 C ATOM 94 O GLU A 82 1.349 -6.667 -8.148 1.00 0.00 O ATOM 95 CB GLU A 82 1.673 -5.876 -11.310 1.00 0.00 C ATOM 96 CG GLU A 82 2.342 -4.814 -12.183 1.00 0.00 C ATOM 97 CD GLU A 82 1.469 -4.512 -13.396 1.00 0.00 C ATOM 98 OE1 GLU A 82 0.503 -5.229 -13.599 1.00 0.00 O ATOM 99 OE2 GLU A 82 1.778 -3.567 -14.103 1.00 0.00 O ATOM 0 H GLU A 82 3.794 -7.066 -11.672 1.00 0.00 H new ATOM 0 HA GLU A 82 2.929 -5.333 -9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.447 -6.761 -11.905 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.725 -5.500 -10.924 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.503 -3.904 -11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.322 -5.163 -12.508 1.00 0.00 H new ATOM 106 N GLU A 83 1.813 -8.415 -9.482 1.00 0.00 N ATOM 107 CA GLU A 83 1.145 -9.386 -8.625 1.00 0.00 C ATOM 108 C GLU A 83 1.826 -9.451 -7.260 1.00 0.00 C ATOM 109 O GLU A 83 1.177 -9.693 -6.242 1.00 0.00 O ATOM 110 CB GLU A 83 1.193 -10.767 -9.282 1.00 0.00 C ATOM 111 CG GLU A 83 2.637 -11.287 -9.283 1.00 0.00 C ATOM 112 CD GLU A 83 2.746 -12.516 -10.180 1.00 0.00 C ATOM 113 OE1 GLU A 83 1.741 -12.892 -10.760 1.00 0.00 O ATOM 114 OE2 GLU A 83 3.833 -13.062 -10.273 1.00 0.00 O ATOM 0 H GLU A 83 2.231 -8.811 -10.324 1.00 0.00 H new ATOM 0 HA GLU A 83 0.109 -9.077 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.547 -11.460 -8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.816 -10.708 -10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.313 -10.508 -9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.943 -11.539 -8.268 1.00 0.00 H new ATOM 121 N GLU A 84 3.140 -9.237 -7.248 1.00 0.00 N ATOM 122 CA GLU A 84 3.903 -9.279 -6.005 1.00 0.00 C ATOM 123 C GLU A 84 3.447 -8.169 -5.060 1.00 0.00 C ATOM 124 O GLU A 84 3.275 -8.388 -3.860 1.00 0.00 O ATOM 125 CB GLU A 84 5.400 -9.126 -6.304 1.00 0.00 C ATOM 126 CG GLU A 84 6.201 -9.278 -5.008 1.00 0.00 C ATOM 127 CD GLU A 84 7.694 -9.183 -5.305 1.00 0.00 C ATOM 128 OE1 GLU A 84 8.037 -9.002 -6.462 1.00 0.00 O ATOM 129 OE2 GLU A 84 8.471 -9.291 -4.372 1.00 0.00 O ATOM 0 H GLU A 84 3.695 -9.034 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 84 3.729 -10.241 -5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.715 -9.877 -7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.594 -8.151 -6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.913 -8.502 -4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.975 -10.237 -4.541 1.00 0.00 H new ATOM 136 N ILE A 85 3.236 -6.981 -5.618 1.00 0.00 N ATOM 137 CA ILE A 85 2.783 -5.844 -4.827 1.00 0.00 C ATOM 138 C ILE A 85 1.359 -6.078 -4.333 1.00 0.00 C ATOM 139 O ILE A 85 1.024 -5.742 -3.198 1.00 0.00 O ATOM 140 CB ILE A 85 2.835 -4.555 -5.658 1.00 0.00 C ATOM 141 CG1 ILE A 85 4.293 -4.188 -5.972 1.00 0.00 C ATOM 142 CG2 ILE A 85 2.189 -3.415 -4.863 1.00 0.00 C ATOM 143 CD1 ILE A 85 4.896 -3.368 -4.824 1.00 0.00 C ATOM 0 H ILE A 85 3.371 -6.782 -6.609 1.00 0.00 H new ATOM 0 HA ILE A 85 3.447 -5.738 -3.969 1.00 0.00 H new ATOM 0 HB ILE A 85 2.296 -4.711 -6.592 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.878 -5.095 -6.126 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.340 -3.617 -6.899 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.224 -2.497 -5.450 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.151 -3.667 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.732 -3.269 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.930 -3.115 -5.061 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.320 -2.452 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.867 -3.953 -3.905 1.00 0.00 H new ATOM 155 N ARG A 86 0.528 -6.662 -5.196 1.00 0.00 N ATOM 156 CA ARG A 86 -0.864 -6.941 -4.852 1.00 0.00 C ATOM 157 C ARG A 86 -0.955 -7.900 -3.672 1.00 0.00 C ATOM 158 O ARG A 86 -1.836 -7.769 -2.824 1.00 0.00 O ATOM 159 CB ARG A 86 -1.593 -7.542 -6.055 1.00 0.00 C ATOM 160 CG ARG A 86 -1.777 -6.471 -7.131 1.00 0.00 C ATOM 161 CD ARG A 86 -2.482 -7.082 -8.343 1.00 0.00 C ATOM 162 NE ARG A 86 -2.676 -6.073 -9.378 1.00 0.00 N ATOM 163 CZ ARG A 86 -3.270 -6.373 -10.528 1.00 0.00 C ATOM 164 NH1 ARG A 86 -3.685 -7.591 -10.750 1.00 0.00 N ATOM 165 NH2 ARG A 86 -3.438 -5.452 -11.436 1.00 0.00 N ATOM 0 H ARG A 86 0.795 -6.950 -6.137 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.336 -5.999 -4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.024 -8.381 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.563 -7.933 -5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.363 -5.641 -6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.809 -6.066 -7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.891 -7.908 -8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.445 -7.494 -8.042 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.350 -5.120 -9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.553 -8.312 -10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.141 -7.821 -11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.113 -4.501 -11.264 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.894 -5.683 -12.319 1.00 0.00 H new ATOM 179 N GLU A 87 -0.044 -8.864 -3.620 1.00 0.00 N ATOM 180 CA GLU A 87 -0.054 -9.833 -2.533 1.00 0.00 C ATOM 181 C GLU A 87 -0.004 -9.084 -1.209 1.00 0.00 C ATOM 182 O GLU A 87 -0.697 -9.437 -0.255 1.00 0.00 O ATOM 183 CB GLU A 87 1.151 -10.771 -2.653 1.00 0.00 C ATOM 184 CG GLU A 87 1.098 -11.836 -1.553 1.00 0.00 C ATOM 185 CD GLU A 87 -0.123 -12.729 -1.748 1.00 0.00 C ATOM 186 OE1 GLU A 87 -0.647 -12.751 -2.849 1.00 0.00 O ATOM 187 OE2 GLU A 87 -0.517 -13.378 -0.792 1.00 0.00 O ATOM 0 H GLU A 87 0.699 -8.995 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.963 -10.433 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.154 -11.248 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.076 -10.200 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.006 -12.438 -1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.056 -11.358 -0.574 1.00 0.00 H new ATOM 194 N ALA A 88 0.810 -8.040 -1.167 1.00 0.00 N ATOM 195 CA ALA A 88 0.940 -7.229 0.035 1.00 0.00 C ATOM 196 C ALA A 88 -0.409 -6.625 0.423 1.00 0.00 C ATOM 197 O ALA A 88 -0.709 -6.474 1.607 1.00 0.00 O ATOM 198 CB ALA A 88 1.958 -6.110 -0.195 1.00 0.00 C ATOM 0 H ALA A 88 1.389 -7.735 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 88 1.285 -7.869 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.048 -5.509 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.927 -6.545 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.625 -5.479 -1.019 1.00 0.00 H new ATOM 204 N PHE A 89 -1.234 -6.305 -0.575 1.00 0.00 N ATOM 205 CA PHE A 89 -2.556 -5.746 -0.299 1.00 0.00 C ATOM 206 C PHE A 89 -3.552 -6.860 0.032 1.00 0.00 C ATOM 207 O PHE A 89 -4.389 -6.712 0.923 1.00 0.00 O ATOM 208 CB PHE A 89 -3.049 -4.926 -1.494 1.00 0.00 C ATOM 209 CG PHE A 89 -2.270 -3.632 -1.560 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.672 -2.536 -0.787 1.00 0.00 C ATOM 211 CD2 PHE A 89 -1.142 -3.532 -2.382 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.948 -1.339 -0.840 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.415 -2.335 -2.433 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.819 -1.238 -1.662 1.00 0.00 C ATOM 0 H PHE A 89 -1.015 -6.421 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.478 -5.087 0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.919 -5.491 -2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.115 -4.719 -1.394 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.541 -2.614 -0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.831 -4.378 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.261 -0.493 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.456 -2.259 -3.067 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.260 -0.315 -1.701 1.00 0.00 H new ATOM 224 N ARG A 90 -3.473 -7.962 -0.712 1.00 0.00 N ATOM 225 CA ARG A 90 -4.393 -9.081 -0.507 1.00 0.00 C ATOM 226 C ARG A 90 -4.391 -9.519 0.954 1.00 0.00 C ATOM 227 O ARG A 90 -5.364 -10.095 1.442 1.00 0.00 O ATOM 228 CB ARG A 90 -4.003 -10.262 -1.400 1.00 0.00 C ATOM 229 CG ARG A 90 -4.319 -9.926 -2.860 1.00 0.00 C ATOM 230 CD ARG A 90 -3.915 -11.099 -3.756 1.00 0.00 C ATOM 231 NE ARG A 90 -4.195 -10.788 -5.153 1.00 0.00 N ATOM 232 CZ ARG A 90 -5.410 -10.956 -5.665 1.00 0.00 C ATOM 233 NH1 ARG A 90 -6.379 -11.401 -4.912 1.00 0.00 N ATOM 234 NH2 ARG A 90 -5.635 -10.676 -6.919 1.00 0.00 N ATOM 0 H ARG A 90 -2.789 -8.104 -1.455 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.396 -8.748 -0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.941 -10.481 -1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.547 -11.156 -1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.383 -9.718 -2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.784 -9.025 -3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.854 -11.313 -3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.459 -11.996 -3.460 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.445 -10.435 -5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.204 -11.620 -3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.312 -11.530 -5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.878 -10.328 -7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.568 -10.805 -7.311 1.00 0.00 H new ATOM 248 N VAL A 91 -3.305 -9.221 1.650 1.00 0.00 N ATOM 249 CA VAL A 91 -3.194 -9.563 3.064 1.00 0.00 C ATOM 250 C VAL A 91 -4.298 -8.872 3.859 1.00 0.00 C ATOM 251 O VAL A 91 -4.850 -9.442 4.800 1.00 0.00 O ATOM 252 CB VAL A 91 -1.829 -9.141 3.611 1.00 0.00 C ATOM 253 CG1 VAL A 91 -1.827 -9.278 5.138 1.00 0.00 C ATOM 254 CG2 VAL A 91 -0.745 -10.044 3.020 1.00 0.00 C ATOM 0 H VAL A 91 -2.490 -8.745 1.263 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.298 -10.643 3.166 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.631 -8.105 3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.855 -8.978 5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.602 -8.639 5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.023 -10.315 5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.229 -9.745 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.944 -11.080 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.747 -9.951 1.934 1.00 0.00 H new ATOM 264 N PHE A 92 -4.604 -7.636 3.479 1.00 0.00 N ATOM 265 CA PHE A 92 -5.634 -6.868 4.171 1.00 0.00 C ATOM 266 C PHE A 92 -7.019 -7.147 3.581 1.00 0.00 C ATOM 267 O PHE A 92 -8.035 -6.908 4.234 1.00 0.00 O ATOM 268 CB PHE A 92 -5.315 -5.376 4.068 1.00 0.00 C ATOM 269 CG PHE A 92 -3.852 -5.165 4.391 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.336 -5.579 5.625 1.00 0.00 C ATOM 271 CD2 PHE A 92 -3.005 -4.579 3.444 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.978 -5.406 5.911 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.645 -4.411 3.730 1.00 0.00 C ATOM 274 CZ PHE A 92 -1.132 -4.824 4.963 1.00 0.00 C ATOM 0 H PHE A 92 -4.158 -7.147 2.702 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.645 -7.170 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.536 -5.012 3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.939 -4.808 4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.988 -6.033 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.400 -4.256 2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.583 -5.722 6.865 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.991 -3.962 2.997 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.083 -4.693 5.183 1.00 0.00 H new ATOM 284 N ASP A 93 -7.059 -7.666 2.354 1.00 0.00 N ATOM 285 CA ASP A 93 -8.338 -7.982 1.715 1.00 0.00 C ATOM 286 C ASP A 93 -8.758 -9.404 2.069 1.00 0.00 C ATOM 287 O ASP A 93 -8.690 -10.303 1.232 1.00 0.00 O ATOM 288 CB ASP A 93 -8.227 -7.860 0.194 1.00 0.00 C ATOM 289 CG ASP A 93 -9.613 -7.956 -0.435 1.00 0.00 C ATOM 290 OD1 ASP A 93 -10.539 -8.317 0.273 1.00 0.00 O ATOM 291 OD2 ASP A 93 -9.728 -7.668 -1.614 1.00 0.00 O ATOM 0 H ASP A 93 -6.235 -7.874 1.789 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.083 -7.274 2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.763 -6.910 -0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.585 -8.649 -0.197 1.00 0.00 H new ATOM 296 N LYS A 94 -9.192 -9.608 3.309 1.00 0.00 N ATOM 297 CA LYS A 94 -9.618 -10.930 3.753 1.00 0.00 C ATOM 298 C LYS A 94 -10.933 -11.336 3.105 1.00 0.00 C ATOM 299 O LYS A 94 -11.252 -12.521 3.009 1.00 0.00 O ATOM 300 CB LYS A 94 -9.779 -10.932 5.272 1.00 0.00 C ATOM 301 CG LYS A 94 -10.904 -9.977 5.689 1.00 0.00 C ATOM 302 CD LYS A 94 -11.028 -9.972 7.214 1.00 0.00 C ATOM 303 CE LYS A 94 -12.158 -9.029 7.630 1.00 0.00 C ATOM 304 NZ LYS A 94 -12.284 -9.029 9.115 1.00 0.00 N ATOM 0 H LYS A 94 -9.258 -8.880 4.020 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.855 -11.649 3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.002 -11.941 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.844 -10.631 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.694 -8.970 5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.846 -10.288 5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.229 -10.980 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.089 -9.652 7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.954 -8.020 7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.096 -9.346 7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.288 -8.963 9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.883 -9.909 9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.769 -8.215 9.507 1.00 0.00 H new ATOM 318 N ASP A 95 -11.690 -10.346 2.661 1.00 0.00 N ATOM 319 CA ASP A 95 -12.972 -10.609 2.020 1.00 0.00 C ATOM 320 C ASP A 95 -12.772 -11.099 0.590 1.00 0.00 C ATOM 321 O ASP A 95 -13.619 -11.805 0.042 1.00 0.00 O ATOM 322 CB ASP A 95 -13.825 -9.341 2.017 1.00 0.00 C ATOM 323 CG ASP A 95 -14.287 -9.022 3.435 1.00 0.00 C ATOM 324 OD1 ASP A 95 -14.168 -9.891 4.284 1.00 0.00 O ATOM 325 OD2 ASP A 95 -14.752 -7.916 3.652 1.00 0.00 O ATOM 0 H ASP A 95 -11.443 -9.359 2.731 1.00 0.00 H new ATOM 0 HA ASP A 95 -13.484 -11.388 2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.250 -8.506 1.616 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.689 -9.475 1.365 1.00 0.00 H new ATOM 330 N GLY A 96 -11.647 -10.722 -0.009 1.00 0.00 N ATOM 331 CA GLY A 96 -11.351 -11.135 -1.375 1.00 0.00 C ATOM 332 C GLY A 96 -12.314 -10.485 -2.365 1.00 0.00 C ATOM 333 O GLY A 96 -12.623 -11.060 -3.409 1.00 0.00 O ATOM 0 H GLY A 96 -10.932 -10.137 0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.326 -10.862 -1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.421 -12.220 -1.454 1.00 0.00 H new ATOM 337 N ASN A 97 -12.787 -9.286 -2.035 1.00 0.00 N ATOM 338 CA ASN A 97 -13.715 -8.579 -2.913 1.00 0.00 C ATOM 339 C ASN A 97 -12.981 -7.542 -3.761 1.00 0.00 C ATOM 340 O ASN A 97 -13.590 -6.869 -4.593 1.00 0.00 O ATOM 341 CB ASN A 97 -14.803 -7.883 -2.091 1.00 0.00 C ATOM 342 CG ASN A 97 -14.212 -7.315 -0.805 1.00 0.00 C ATOM 343 OD1 ASN A 97 -14.816 -7.430 0.261 1.00 0.00 O ATOM 344 ND2 ASN A 97 -13.060 -6.706 -0.843 1.00 0.00 N ATOM 0 H ASN A 97 -12.547 -8.789 -1.177 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.174 -9.314 -3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.255 -7.082 -2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.597 -8.591 -1.853 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.657 -6.323 0.012 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.562 -6.612 -1.728 1.00 0.00 H new ATOM 351 N GLY A 98 -11.673 -7.422 -3.553 1.00 0.00 N ATOM 352 CA GLY A 98 -10.877 -6.462 -4.312 1.00 0.00 C ATOM 353 C GLY A 98 -10.728 -5.144 -3.556 1.00 0.00 C ATOM 354 O GLY A 98 -10.222 -4.163 -4.101 1.00 0.00 O ATOM 0 H GLY A 98 -11.146 -7.971 -2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.891 -6.882 -4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.348 -6.279 -5.278 1.00 0.00 H new ATOM 358 N TYR A 99 -11.176 -5.125 -2.303 1.00 0.00 N ATOM 359 CA TYR A 99 -11.088 -3.914 -1.491 1.00 0.00 C ATOM 360 C TYR A 99 -10.592 -4.229 -0.084 1.00 0.00 C ATOM 361 O TYR A 99 -10.747 -5.347 0.407 1.00 0.00 O ATOM 362 CB TYR A 99 -12.457 -3.244 -1.390 1.00 0.00 C ATOM 363 CG TYR A 99 -13.003 -2.981 -2.770 1.00 0.00 C ATOM 364 CD1 TYR A 99 -13.473 -4.047 -3.542 1.00 0.00 C ATOM 365 CD2 TYR A 99 -13.027 -1.679 -3.282 1.00 0.00 C ATOM 366 CE1 TYR A 99 -13.972 -3.815 -4.828 1.00 0.00 C ATOM 367 CE2 TYR A 99 -13.526 -1.446 -4.571 1.00 0.00 C ATOM 368 CZ TYR A 99 -13.999 -2.514 -5.343 1.00 0.00 C ATOM 369 OH TYR A 99 -14.489 -2.285 -6.613 1.00 0.00 O ATOM 0 H TYR A 99 -11.599 -5.925 -1.832 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.379 -3.244 -1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -13.144 -3.882 -0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -12.373 -2.308 -0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -13.451 -5.051 -3.145 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.662 -0.856 -2.686 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -14.336 -4.639 -5.423 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.546 -0.442 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.438 -1.328 -6.816 1.00 0.00 H new ATOM 379 N ILE A 100 -10.028 -3.217 0.570 1.00 0.00 N ATOM 380 CA ILE A 100 -9.544 -3.363 1.937 1.00 0.00 C ATOM 381 C ILE A 100 -10.102 -2.207 2.760 1.00 0.00 C ATOM 382 O ILE A 100 -10.258 -1.102 2.241 1.00 0.00 O ATOM 383 CB ILE A 100 -8.003 -3.330 1.975 1.00 0.00 C ATOM 384 CG1 ILE A 100 -7.506 -1.896 2.173 1.00 0.00 C ATOM 385 CG2 ILE A 100 -7.442 -3.831 0.649 1.00 0.00 C ATOM 386 CD1 ILE A 100 -6.012 -1.833 1.861 1.00 0.00 C ATOM 0 H ILE A 100 -9.895 -2.287 0.174 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.872 -4.320 2.343 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.673 -3.962 2.799 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.054 -1.215 1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.689 -1.573 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.353 -3.805 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.776 -4.854 0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.796 -3.192 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.654 -0.813 2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.472 -2.502 2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.843 -2.139 0.829 1.00 0.00 H new ATOM 398 N SER A 101 -10.411 -2.440 4.027 1.00 0.00 N ATOM 399 CA SER A 101 -10.951 -1.365 4.847 1.00 0.00 C ATOM 400 C SER A 101 -9.962 -0.206 4.894 1.00 0.00 C ATOM 401 O SER A 101 -8.768 -0.408 5.072 1.00 0.00 O ATOM 402 CB SER A 101 -11.221 -1.873 6.264 1.00 0.00 C ATOM 403 OG SER A 101 -11.688 -0.797 7.068 1.00 0.00 O ATOM 0 H SER A 101 -10.302 -3.337 4.500 1.00 0.00 H new ATOM 0 HA SER A 101 -11.888 -1.020 4.409 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.961 -2.673 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.311 -2.293 6.692 1.00 0.00 H new ATOM 0 HG SER A 101 -11.864 -1.120 7.977 1.00 0.00 H new ATOM 409 N ALA A 102 -10.462 1.008 4.722 1.00 0.00 N ATOM 410 CA ALA A 102 -9.600 2.185 4.746 1.00 0.00 C ATOM 411 C ALA A 102 -8.998 2.402 6.138 1.00 0.00 C ATOM 412 O ALA A 102 -7.857 2.839 6.270 1.00 0.00 O ATOM 413 CB ALA A 102 -10.389 3.423 4.312 1.00 0.00 C ATOM 0 H ALA A 102 -11.450 1.206 4.566 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.780 2.020 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.737 4.296 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.767 3.277 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.226 3.578 4.993 1.00 0.00 H new ATOM 419 N ALA A 103 -9.790 2.132 7.171 1.00 0.00 N ATOM 420 CA ALA A 103 -9.345 2.336 8.552 1.00 0.00 C ATOM 421 C ALA A 103 -8.122 1.483 8.916 1.00 0.00 C ATOM 422 O ALA A 103 -7.211 1.964 9.590 1.00 0.00 O ATOM 423 CB ALA A 103 -10.489 2.007 9.513 1.00 0.00 C ATOM 0 H ALA A 103 -10.740 1.773 7.082 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.052 3.382 8.641 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.157 2.159 10.540 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.337 2.659 9.306 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.789 0.968 9.379 1.00 0.00 H new ATOM 429 N GLU A 104 -8.107 0.222 8.494 1.00 0.00 N ATOM 430 CA GLU A 104 -6.983 -0.657 8.823 1.00 0.00 C ATOM 431 C GLU A 104 -5.713 -0.195 8.123 1.00 0.00 C ATOM 432 O GLU A 104 -4.603 -0.444 8.593 1.00 0.00 O ATOM 433 CB GLU A 104 -7.298 -2.109 8.444 1.00 0.00 C ATOM 434 CG GLU A 104 -7.172 -2.313 6.932 1.00 0.00 C ATOM 435 CD GLU A 104 -5.825 -2.942 6.584 1.00 0.00 C ATOM 436 OE1 GLU A 104 -5.412 -3.849 7.289 1.00 0.00 O ATOM 437 OE2 GLU A 104 -5.225 -2.506 5.616 1.00 0.00 O ATOM 0 H GLU A 104 -8.843 -0.210 7.935 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.823 -0.607 9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.617 -2.782 8.965 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.307 -2.364 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.980 -2.953 6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.275 -1.356 6.421 1.00 0.00 H new ATOM 444 N LEU A 105 -5.887 0.483 6.999 1.00 0.00 N ATOM 445 CA LEU A 105 -4.745 0.981 6.244 1.00 0.00 C ATOM 446 C LEU A 105 -3.972 1.969 7.103 1.00 0.00 C ATOM 447 O LEU A 105 -2.744 1.924 7.170 1.00 0.00 O ATOM 448 CB LEU A 105 -5.220 1.678 4.965 1.00 0.00 C ATOM 449 CG LEU A 105 -4.013 2.112 4.120 1.00 0.00 C ATOM 450 CD1 LEU A 105 -3.243 0.880 3.640 1.00 0.00 C ATOM 451 CD2 LEU A 105 -4.505 2.909 2.909 1.00 0.00 C ATOM 0 H LEU A 105 -6.797 0.700 6.592 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.102 0.144 5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.854 1.004 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.827 2.547 5.219 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.353 2.732 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.388 1.195 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.893 0.312 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.899 0.254 3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.651 3.219 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.167 2.286 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.048 3.791 3.250 1.00 0.00 H new ATOM 463 N ARG A 106 -4.702 2.876 7.745 1.00 0.00 N ATOM 464 CA ARG A 106 -4.066 3.882 8.580 1.00 0.00 C ATOM 465 C ARG A 106 -3.233 3.215 9.665 1.00 0.00 C ATOM 466 O ARG A 106 -2.060 3.542 9.840 1.00 0.00 O ATOM 467 CB ARG A 106 -5.130 4.772 9.230 1.00 0.00 C ATOM 468 CG ARG A 106 -4.453 5.827 10.110 1.00 0.00 C ATOM 469 CD ARG A 106 -4.552 5.422 11.584 1.00 0.00 C ATOM 470 NE ARG A 106 -5.941 5.459 12.026 1.00 0.00 N ATOM 471 CZ ARG A 106 -6.296 4.973 13.211 1.00 0.00 C ATOM 472 NH1 ARG A 106 -5.394 4.457 14.001 1.00 0.00 N ATOM 473 NH2 ARG A 106 -7.545 5.014 13.585 1.00 0.00 N ATOM 0 H ARG A 106 -5.720 2.933 7.703 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.416 4.493 7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.731 5.257 8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.809 4.165 9.830 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.407 5.934 9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.926 6.797 9.958 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.146 4.420 11.721 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.951 6.096 12.195 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.651 5.864 11.416 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.417 4.427 13.709 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.666 4.084 14.911 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.249 5.419 12.968 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.818 4.641 14.494 1.00 0.00 H new ATOM 487 N HIS A 107 -3.830 2.273 10.392 1.00 0.00 N ATOM 488 CA HIS A 107 -3.111 1.575 11.451 1.00 0.00 C ATOM 489 C HIS A 107 -1.920 0.817 10.878 1.00 0.00 C ATOM 490 O HIS A 107 -0.832 0.825 11.446 1.00 0.00 O ATOM 491 CB HIS A 107 -4.062 0.609 12.162 1.00 0.00 C ATOM 492 CG HIS A 107 -3.307 -0.194 13.185 1.00 0.00 C ATOM 493 ND1 HIS A 107 -2.797 0.369 14.345 1.00 0.00 N ATOM 494 CD2 HIS A 107 -2.985 -1.526 13.242 1.00 0.00 C ATOM 495 CE1 HIS A 107 -2.200 -0.614 15.044 1.00 0.00 C ATOM 496 NE2 HIS A 107 -2.285 -1.790 14.416 1.00 0.00 N ATOM 0 H HIS A 107 -4.799 1.979 10.268 1.00 0.00 H new ATOM 0 HA HIS A 107 -2.737 2.306 12.168 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -4.865 1.166 12.645 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.527 -0.057 11.436 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -2.862 1.349 14.619 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.236 -2.259 12.490 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.712 -0.470 15.996 1.00 0.00 H new ATOM 505 N VAL A 108 -2.150 0.159 9.754 1.00 0.00 N ATOM 506 CA VAL A 108 -1.115 -0.618 9.083 1.00 0.00 C ATOM 507 C VAL A 108 0.044 0.271 8.621 1.00 0.00 C ATOM 508 O VAL A 108 1.206 -0.130 8.681 1.00 0.00 O ATOM 509 CB VAL A 108 -1.728 -1.336 7.879 1.00 0.00 C ATOM 510 CG1 VAL A 108 -0.629 -1.987 7.038 1.00 0.00 C ATOM 511 CG2 VAL A 108 -2.688 -2.418 8.374 1.00 0.00 C ATOM 0 H VAL A 108 -3.054 0.147 9.281 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.716 -1.344 9.791 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.264 -0.611 7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.077 -2.495 6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.060 -1.220 6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.086 -2.710 7.646 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.128 -2.933 7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.143 -3.135 8.988 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.479 -1.959 8.967 1.00 0.00 H new ATOM 521 N MET A 109 -0.283 1.468 8.145 1.00 0.00 N ATOM 522 CA MET A 109 0.741 2.394 7.656 1.00 0.00 C ATOM 523 C MET A 109 1.418 3.137 8.801 1.00 0.00 C ATOM 524 O MET A 109 2.511 3.678 8.626 1.00 0.00 O ATOM 525 CB MET A 109 0.114 3.405 6.688 1.00 0.00 C ATOM 526 CG MET A 109 0.211 2.894 5.242 1.00 0.00 C ATOM 527 SD MET A 109 -0.044 1.101 5.194 1.00 0.00 S ATOM 528 CE MET A 109 0.360 0.845 3.449 1.00 0.00 C ATOM 0 H MET A 109 -1.238 1.820 8.086 1.00 0.00 H new ATOM 0 HA MET A 109 1.499 1.806 7.137 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.930 3.571 6.952 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.622 4.365 6.776 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.535 3.391 4.622 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.188 3.141 4.826 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.016 -0.126 3.127 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.101 1.630 2.850 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.442 0.877 3.317 1.00 0.00 H new ATOM 538 N THR A 110 0.778 3.166 9.965 1.00 0.00 N ATOM 539 CA THR A 110 1.352 3.859 11.113 1.00 0.00 C ATOM 540 C THR A 110 1.836 2.868 12.171 1.00 0.00 C ATOM 541 O THR A 110 2.613 3.233 13.050 1.00 0.00 O ATOM 542 CB THR A 110 0.314 4.805 11.722 1.00 0.00 C ATOM 543 OG1 THR A 110 -0.808 4.059 12.171 1.00 0.00 O ATOM 544 CG2 THR A 110 -0.132 5.819 10.671 1.00 0.00 C ATOM 0 H THR A 110 -0.125 2.725 10.138 1.00 0.00 H new ATOM 0 HA THR A 110 2.211 4.434 10.768 1.00 0.00 H new ATOM 0 HB THR A 110 0.758 5.331 12.567 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.393 3.858 11.411 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.871 6.492 11.105 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.729 6.395 10.333 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.573 5.294 9.823 1.00 0.00 H new ATOM 552 N ASN A 111 1.342 1.630 12.108 1.00 0.00 N ATOM 553 CA ASN A 111 1.714 0.614 13.095 1.00 0.00 C ATOM 554 C ASN A 111 2.652 -0.453 12.520 1.00 0.00 C ATOM 555 O ASN A 111 3.559 -0.917 13.213 1.00 0.00 O ATOM 556 CB ASN A 111 0.453 -0.070 13.630 1.00 0.00 C ATOM 557 CG ASN A 111 0.753 -0.740 14.967 1.00 0.00 C ATOM 558 OD1 ASN A 111 1.541 -0.223 15.758 1.00 0.00 O ATOM 559 ND2 ASN A 111 0.171 -1.869 15.265 1.00 0.00 N ATOM 0 H ASN A 111 0.690 1.309 11.392 1.00 0.00 H new ATOM 0 HA ASN A 111 2.247 1.128 13.895 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.345 0.663 13.751 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.099 -0.811 12.913 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.369 -2.325 16.156 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.482 -2.295 14.607 1.00 0.00 H new ATOM 566 N LEU A 112 2.423 -0.861 11.271 1.00 0.00 N ATOM 567 CA LEU A 112 3.257 -1.901 10.657 1.00 0.00 C ATOM 568 C LEU A 112 4.261 -1.320 9.665 1.00 0.00 C ATOM 569 O LEU A 112 3.936 -0.422 8.889 1.00 0.00 O ATOM 570 CB LEU A 112 2.380 -2.919 9.922 1.00 0.00 C ATOM 571 CG LEU A 112 1.385 -3.569 10.888 1.00 0.00 C ATOM 572 CD1 LEU A 112 0.501 -4.547 10.111 1.00 0.00 C ATOM 573 CD2 LEU A 112 2.137 -4.332 11.983 1.00 0.00 C ATOM 0 H LEU A 112 1.682 -0.497 10.672 1.00 0.00 H new ATOM 0 HA LEU A 112 3.806 -2.384 11.466 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.841 -2.426 9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.007 -3.686 9.466 1.00 0.00 H new ATOM 0 HG LEU A 112 0.773 -2.794 11.349 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.210 -5.014 10.792 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.041 -4.009 9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.124 -5.316 9.653 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.421 -4.790 12.665 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.753 -5.108 11.528 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.773 -3.641 12.536 1.00 0.00 H new ATOM 585 N GLY A 113 5.477 -1.870 9.692 1.00 0.00 N ATOM 586 CA GLY A 113 6.545 -1.440 8.790 1.00 0.00 C ATOM 587 C GLY A 113 6.811 0.056 8.910 1.00 0.00 C ATOM 588 O GLY A 113 5.878 0.851 8.819 1.00 0.00 O ATOM 0 H GLY A 113 5.746 -2.617 10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.457 -1.992 9.016 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.273 -1.681 7.762 1.00 0.00 H new ATOM 592 N GLU A 114 8.093 0.416 9.105 1.00 0.00 N ATOM 593 CA GLU A 114 8.513 1.823 9.231 1.00 0.00 C ATOM 594 C GLU A 114 7.305 2.745 9.306 1.00 0.00 C ATOM 595 O GLU A 114 6.733 3.113 8.284 1.00 0.00 O ATOM 596 CB GLU A 114 9.383 2.214 8.034 1.00 0.00 C ATOM 597 CG GLU A 114 10.736 1.508 8.134 1.00 0.00 C ATOM 598 CD GLU A 114 11.542 1.743 6.861 1.00 0.00 C ATOM 599 OE1 GLU A 114 10.964 2.211 5.894 1.00 0.00 O ATOM 600 OE2 GLU A 114 12.727 1.450 6.872 1.00 0.00 O ATOM 0 H GLU A 114 8.860 -0.253 9.179 1.00 0.00 H new ATOM 0 HA GLU A 114 9.087 1.928 10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.885 1.939 7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.525 3.294 8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 114 11.287 1.881 8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.587 0.439 8.288 1.00 0.00 H new ATOM 607 N LYS A 115 6.886 3.060 10.522 1.00 0.00 N ATOM 608 CA LYS A 115 5.699 3.880 10.731 1.00 0.00 C ATOM 609 C LYS A 115 5.734 5.167 9.902 1.00 0.00 C ATOM 610 O LYS A 115 6.756 5.849 9.831 1.00 0.00 O ATOM 611 CB LYS A 115 5.604 4.237 12.215 1.00 0.00 C ATOM 612 CG LYS A 115 5.537 2.948 13.040 1.00 0.00 C ATOM 613 CD LYS A 115 5.388 3.293 14.524 1.00 0.00 C ATOM 614 CE LYS A 115 5.326 2.002 15.344 1.00 0.00 C ATOM 615 NZ LYS A 115 5.184 2.337 16.790 1.00 0.00 N ATOM 0 H LYS A 115 7.349 2.761 11.380 1.00 0.00 H new ATOM 0 HA LYS A 115 4.829 3.306 10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.468 4.830 12.515 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.719 4.847 12.399 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.695 2.338 12.712 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.439 2.357 12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 115 6.228 3.905 14.852 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.484 3.881 14.683 1.00 0.00 H new ATOM 0 HE2 LYS A 115 4.485 1.391 15.017 1.00 0.00 H new ATOM 0 HE3 LYS A 115 6.229 1.413 15.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.142 1.460 17.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.001 2.903 17.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 4.310 2.882 16.936 1.00 0.00 H new ATOM 629 N LEU A 116 4.590 5.495 9.294 1.00 0.00 N ATOM 630 CA LEU A 116 4.463 6.708 8.485 1.00 0.00 C ATOM 631 C LEU A 116 3.947 7.850 9.358 1.00 0.00 C ATOM 632 O LEU A 116 3.286 7.611 10.369 1.00 0.00 O ATOM 633 CB LEU A 116 3.474 6.480 7.327 1.00 0.00 C ATOM 634 CG LEU A 116 4.183 5.878 6.104 1.00 0.00 C ATOM 635 CD1 LEU A 116 5.172 6.885 5.510 1.00 0.00 C ATOM 636 CD2 LEU A 116 4.935 4.614 6.517 1.00 0.00 C ATOM 0 H LEU A 116 3.739 4.936 9.348 1.00 0.00 H new ATOM 0 HA LEU A 116 5.442 6.959 8.077 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.675 5.814 7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.007 7.426 7.052 1.00 0.00 H new ATOM 0 HG LEU A 116 3.433 5.632 5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.666 6.443 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.636 7.783 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.919 7.147 6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.437 4.189 5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.675 4.863 7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.230 3.887 6.921 1.00 0.00 H new ATOM 648 N THR A 117 4.230 9.086 8.962 1.00 0.00 N ATOM 649 CA THR A 117 3.765 10.241 9.720 1.00 0.00 C ATOM 650 C THR A 117 2.349 10.608 9.288 1.00 0.00 C ATOM 651 O THR A 117 1.858 10.116 8.272 1.00 0.00 O ATOM 652 CB THR A 117 4.700 11.430 9.493 1.00 0.00 C ATOM 653 OG1 THR A 117 4.667 11.800 8.121 1.00 0.00 O ATOM 654 CG2 THR A 117 6.127 11.043 9.886 1.00 0.00 C ATOM 0 H THR A 117 4.774 9.313 8.129 1.00 0.00 H new ATOM 0 HA THR A 117 3.763 9.990 10.781 1.00 0.00 H new ATOM 0 HB THR A 117 4.374 12.271 10.105 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.264 12.563 7.973 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.792 11.891 9.724 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.150 10.760 10.938 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.457 10.202 9.276 1.00 0.00 H new ATOM 662 N ASP A 118 1.692 11.469 10.059 1.00 0.00 N ATOM 663 CA ASP A 118 0.333 11.876 9.725 1.00 0.00 C ATOM 664 C ASP A 118 0.289 12.507 8.337 1.00 0.00 C ATOM 665 O ASP A 118 -0.639 12.270 7.563 1.00 0.00 O ATOM 666 CB ASP A 118 -0.184 12.875 10.763 1.00 0.00 C ATOM 667 CG ASP A 118 0.753 14.076 10.856 1.00 0.00 C ATOM 668 OD1 ASP A 118 1.824 14.015 10.278 1.00 0.00 O ATOM 669 OD2 ASP A 118 0.384 15.040 11.506 1.00 0.00 O ATOM 0 H ASP A 118 2.071 11.892 10.906 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.303 10.991 9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.186 13.207 10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.263 12.390 11.736 1.00 0.00 H new ATOM 674 N GLU A 119 1.298 13.312 8.033 1.00 0.00 N ATOM 675 CA GLU A 119 1.366 13.978 6.737 1.00 0.00 C ATOM 676 C GLU A 119 1.445 12.947 5.616 1.00 0.00 C ATOM 677 O GLU A 119 0.798 13.093 4.579 1.00 0.00 O ATOM 678 CB GLU A 119 2.595 14.888 6.679 1.00 0.00 C ATOM 679 CG GLU A 119 2.387 16.090 7.602 1.00 0.00 C ATOM 680 CD GLU A 119 3.670 16.910 7.685 1.00 0.00 C ATOM 681 OE1 GLU A 119 4.693 16.420 7.237 1.00 0.00 O ATOM 682 OE2 GLU A 119 3.610 18.016 8.196 1.00 0.00 O ATOM 0 H GLU A 119 2.076 13.519 8.660 1.00 0.00 H new ATOM 0 HA GLU A 119 0.465 14.578 6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 119 3.484 14.335 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 119 2.762 15.226 5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.573 16.710 7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.098 15.750 8.596 1.00 0.00 H new ATOM 689 N GLU A 120 2.219 11.892 5.844 1.00 0.00 N ATOM 690 CA GLU A 120 2.345 10.830 4.858 1.00 0.00 C ATOM 691 C GLU A 120 1.047 10.031 4.773 1.00 0.00 C ATOM 692 O GLU A 120 0.600 9.667 3.686 1.00 0.00 O ATOM 693 CB GLU A 120 3.511 9.905 5.225 1.00 0.00 C ATOM 694 CG GLU A 120 4.847 10.597 4.920 1.00 0.00 C ATOM 695 CD GLU A 120 5.017 10.836 3.421 1.00 0.00 C ATOM 696 OE1 GLU A 120 5.389 9.904 2.729 1.00 0.00 O ATOM 697 OE2 GLU A 120 4.802 11.958 2.992 1.00 0.00 O ATOM 0 H GLU A 120 2.763 11.751 6.695 1.00 0.00 H new ATOM 0 HA GLU A 120 2.544 11.278 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.460 9.644 6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.438 8.974 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.896 11.548 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.669 9.984 5.289 1.00 0.00 H new ATOM 704 N VAL A 121 0.444 9.770 5.931 1.00 0.00 N ATOM 705 CA VAL A 121 -0.808 9.023 5.990 1.00 0.00 C ATOM 706 C VAL A 121 -1.944 9.808 5.330 1.00 0.00 C ATOM 707 O VAL A 121 -2.742 9.252 4.581 1.00 0.00 O ATOM 708 CB VAL A 121 -1.159 8.733 7.454 1.00 0.00 C ATOM 709 CG1 VAL A 121 -2.565 8.146 7.545 1.00 0.00 C ATOM 710 CG2 VAL A 121 -0.156 7.731 8.035 1.00 0.00 C ATOM 0 H VAL A 121 0.802 10.065 6.839 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.681 8.086 5.448 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.118 9.664 8.020 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.808 7.942 8.588 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.283 8.857 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.610 7.218 6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.407 7.526 9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.195 6.804 7.463 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.849 8.149 7.980 1.00 0.00 H new ATOM 720 N ASP A 122 -2.028 11.103 5.625 1.00 0.00 N ATOM 721 CA ASP A 122 -3.089 11.935 5.058 1.00 0.00 C ATOM 722 C ASP A 122 -3.025 11.930 3.535 1.00 0.00 C ATOM 723 O ASP A 122 -4.048 11.802 2.863 1.00 0.00 O ATOM 724 CB ASP A 122 -2.955 13.371 5.571 1.00 0.00 C ATOM 725 CG ASP A 122 -4.089 14.228 5.019 1.00 0.00 C ATOM 726 OD1 ASP A 122 -5.224 13.990 5.396 1.00 0.00 O ATOM 727 OD2 ASP A 122 -3.805 15.110 4.225 1.00 0.00 O ATOM 0 H ASP A 122 -1.384 11.595 6.245 1.00 0.00 H new ATOM 0 HA ASP A 122 -4.050 11.524 5.368 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.978 13.381 6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.994 13.786 5.269 1.00 0.00 H new ATOM 732 N GLU A 123 -1.821 12.059 2.996 1.00 0.00 N ATOM 733 CA GLU A 123 -1.643 12.055 1.550 1.00 0.00 C ATOM 734 C GLU A 123 -2.112 10.719 0.983 1.00 0.00 C ATOM 735 O GLU A 123 -2.734 10.661 -0.078 1.00 0.00 O ATOM 736 CB GLU A 123 -0.167 12.283 1.206 1.00 0.00 C ATOM 737 CG GLU A 123 0.018 12.337 -0.315 1.00 0.00 C ATOM 738 CD GLU A 123 -0.735 13.529 -0.896 1.00 0.00 C ATOM 739 OE1 GLU A 123 -1.042 14.438 -0.142 1.00 0.00 O ATOM 740 OE2 GLU A 123 -0.994 13.516 -2.089 1.00 0.00 O ATOM 0 H GLU A 123 -0.960 12.167 3.532 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.234 12.858 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.179 13.214 1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.440 11.481 1.626 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.078 12.414 -0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.345 11.413 -0.766 1.00 0.00 H new ATOM 747 N MET A 124 -1.813 9.651 1.714 1.00 0.00 N ATOM 748 CA MET A 124 -2.207 8.305 1.312 1.00 0.00 C ATOM 749 C MET A 124 -3.730 8.162 1.335 1.00 0.00 C ATOM 750 O MET A 124 -4.314 7.545 0.447 1.00 0.00 O ATOM 751 CB MET A 124 -1.585 7.305 2.288 1.00 0.00 C ATOM 752 CG MET A 124 -0.066 7.299 2.110 1.00 0.00 C ATOM 753 SD MET A 124 0.390 6.049 0.891 1.00 0.00 S ATOM 754 CE MET A 124 0.239 4.621 1.992 1.00 0.00 C ATOM 0 H MET A 124 -1.296 9.692 2.593 1.00 0.00 H new ATOM 0 HA MET A 124 -1.859 8.113 0.297 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.841 7.573 3.313 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.987 6.308 2.110 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.277 8.281 1.785 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.422 7.089 3.062 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.230 4.226 2.214 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.246 4.926 2.919 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.358 3.849 1.507 1.00 0.00 H new ATOM 764 N ILE A 125 -4.361 8.736 2.364 1.00 0.00 N ATOM 765 CA ILE A 125 -5.817 8.663 2.515 1.00 0.00 C ATOM 766 C ILE A 125 -6.530 9.370 1.365 1.00 0.00 C ATOM 767 O ILE A 125 -7.542 8.882 0.860 1.00 0.00 O ATOM 768 CB ILE A 125 -6.225 9.277 3.870 1.00 0.00 C ATOM 769 CG1 ILE A 125 -6.555 8.169 4.881 1.00 0.00 C ATOM 770 CG2 ILE A 125 -7.432 10.215 3.726 1.00 0.00 C ATOM 771 CD1 ILE A 125 -5.275 7.424 5.260 1.00 0.00 C ATOM 0 H ILE A 125 -3.887 9.255 3.103 1.00 0.00 H new ATOM 0 HA ILE A 125 -6.118 7.616 2.490 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.379 9.861 4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.014 8.599 5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.278 7.475 4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.690 10.628 4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.183 11.027 3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.281 9.657 3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.510 6.638 5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.834 6.980 4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.566 8.122 5.706 1.00 0.00 H new ATOM 783 N ARG A 126 -6.005 10.515 0.956 1.00 0.00 N ATOM 784 CA ARG A 126 -6.613 11.268 -0.133 1.00 0.00 C ATOM 785 C ARG A 126 -6.562 10.454 -1.420 1.00 0.00 C ATOM 786 O ARG A 126 -7.411 10.601 -2.299 1.00 0.00 O ATOM 787 CB ARG A 126 -5.877 12.595 -0.327 1.00 0.00 C ATOM 788 CG ARG A 126 -6.150 13.510 0.870 1.00 0.00 C ATOM 789 CD ARG A 126 -5.392 14.826 0.690 1.00 0.00 C ATOM 790 NE ARG A 126 -5.643 15.712 1.822 1.00 0.00 N ATOM 791 CZ ARG A 126 -5.094 16.921 1.885 1.00 0.00 C ATOM 792 NH1 ARG A 126 -4.310 17.332 0.926 1.00 0.00 N ATOM 793 NH2 ARG A 126 -5.337 17.696 2.907 1.00 0.00 N ATOM 0 H ARG A 126 -5.169 10.940 1.356 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.654 11.473 0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -4.806 12.418 -0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -6.207 13.075 -1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -7.219 13.703 0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -5.838 13.022 1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.323 14.629 0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -5.704 15.310 -0.236 1.00 0.00 H new ATOM 0 HE ARG A 126 -6.251 15.398 2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.119 16.726 0.128 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.889 18.260 0.974 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -5.948 17.374 3.657 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.916 18.624 2.955 1.00 0.00 H new ATOM 807 N GLU A 127 -5.565 9.583 -1.510 1.00 0.00 N ATOM 808 CA GLU A 127 -5.410 8.729 -2.679 1.00 0.00 C ATOM 809 C GLU A 127 -6.016 7.346 -2.431 1.00 0.00 C ATOM 810 O GLU A 127 -6.336 6.624 -3.375 1.00 0.00 O ATOM 811 CB GLU A 127 -3.927 8.585 -3.024 1.00 0.00 C ATOM 812 CG GLU A 127 -3.374 9.940 -3.474 1.00 0.00 C ATOM 813 CD GLU A 127 -1.878 9.831 -3.754 1.00 0.00 C ATOM 814 OE1 GLU A 127 -1.311 8.795 -3.449 1.00 0.00 O ATOM 815 OE2 GLU A 127 -1.322 10.787 -4.269 1.00 0.00 O ATOM 0 H GLU A 127 -4.855 9.450 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.937 9.193 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.374 8.224 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.797 7.846 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.896 10.275 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.554 10.689 -2.703 1.00 0.00 H new ATOM 822 N ALA A 128 -6.160 6.977 -1.157 1.00 0.00 N ATOM 823 CA ALA A 128 -6.717 5.669 -0.808 1.00 0.00 C ATOM 824 C ALA A 128 -8.162 5.526 -1.278 1.00 0.00 C ATOM 825 O ALA A 128 -8.519 4.489 -1.830 1.00 0.00 O ATOM 826 CB ALA A 128 -6.654 5.463 0.707 1.00 0.00 C ATOM 0 H ALA A 128 -5.902 7.557 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.119 4.911 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -7.070 4.488 0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.617 5.511 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -7.230 6.243 1.205 1.00 0.00 H new ATOM 832 N ASP A 129 -8.969 6.575 -1.049 1.00 0.00 N ATOM 833 CA ASP A 129 -10.395 6.602 -1.438 1.00 0.00 C ATOM 834 C ASP A 129 -11.231 7.323 -0.384 1.00 0.00 C ATOM 835 O ASP A 129 -11.338 8.548 -0.379 1.00 0.00 O ATOM 836 CB ASP A 129 -10.975 5.188 -1.617 1.00 0.00 C ATOM 837 CG ASP A 129 -12.497 5.254 -1.711 1.00 0.00 C ATOM 838 OD1 ASP A 129 -12.989 5.728 -2.722 1.00 0.00 O ATOM 839 OD2 ASP A 129 -13.148 4.829 -0.771 1.00 0.00 O ATOM 0 H ASP A 129 -8.655 7.430 -0.589 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.440 7.131 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.567 4.730 -2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.682 4.557 -0.778 1.00 0.00 H new ATOM 844 N ILE A 130 -11.835 6.529 0.490 1.00 0.00 N ATOM 845 CA ILE A 130 -12.693 7.036 1.552 1.00 0.00 C ATOM 846 C ILE A 130 -13.575 8.177 1.064 1.00 0.00 C ATOM 847 O ILE A 130 -13.736 9.180 1.759 1.00 0.00 O ATOM 848 CB ILE A 130 -11.867 7.534 2.732 1.00 0.00 C ATOM 849 CG1 ILE A 130 -10.949 6.421 3.228 1.00 0.00 C ATOM 850 CG2 ILE A 130 -12.817 7.938 3.866 1.00 0.00 C ATOM 851 CD1 ILE A 130 -9.946 7.004 4.223 1.00 0.00 C ATOM 0 H ILE A 130 -11.743 5.513 0.482 1.00 0.00 H new ATOM 0 HA ILE A 130 -13.323 6.204 1.867 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.265 8.387 2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -11.535 5.634 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -10.424 5.965 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -12.237 8.296 4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.481 8.730 3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -13.410 7.075 4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -9.287 6.213 4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.353 7.776 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.482 7.440 5.067 1.00 0.00 H new ATOM 863 N ASP A 131 -14.167 8.024 -0.109 1.00 0.00 N ATOM 864 CA ASP A 131 -15.046 9.067 -0.615 1.00 0.00 C ATOM 865 C ASP A 131 -16.192 9.240 0.373 1.00 0.00 C ATOM 866 O ASP A 131 -16.616 10.354 0.679 1.00 0.00 O ATOM 867 CB ASP A 131 -15.600 8.677 -1.987 1.00 0.00 C ATOM 868 CG ASP A 131 -14.498 8.753 -3.038 1.00 0.00 C ATOM 869 OD1 ASP A 131 -13.460 9.321 -2.741 1.00 0.00 O ATOM 870 OD2 ASP A 131 -14.708 8.242 -4.126 1.00 0.00 O ATOM 0 H ASP A 131 -14.060 7.211 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 131 -14.492 9.999 -0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -16.008 7.667 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -16.420 9.342 -2.259 1.00 0.00 H new ATOM 875 N GLY A 132 -16.674 8.106 0.867 1.00 0.00 N ATOM 876 CA GLY A 132 -17.764 8.087 1.830 1.00 0.00 C ATOM 877 C GLY A 132 -18.256 6.661 2.041 1.00 0.00 C ATOM 878 O GLY A 132 -19.378 6.446 2.500 1.00 0.00 O ATOM 0 H GLY A 132 -16.323 7.183 0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -17.429 8.508 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -18.583 8.713 1.476 1.00 0.00 H new ATOM 882 N ASP A 133 -17.407 5.690 1.699 1.00 0.00 N ATOM 883 CA ASP A 133 -17.768 4.285 1.853 1.00 0.00 C ATOM 884 C ASP A 133 -16.999 3.630 3.000 1.00 0.00 C ATOM 885 O ASP A 133 -17.473 2.666 3.602 1.00 0.00 O ATOM 886 CB ASP A 133 -17.505 3.530 0.549 1.00 0.00 C ATOM 887 CG ASP A 133 -18.468 4.009 -0.531 1.00 0.00 C ATOM 888 OD1 ASP A 133 -19.460 4.627 -0.180 1.00 0.00 O ATOM 889 OD2 ASP A 133 -18.202 3.750 -1.693 1.00 0.00 O ATOM 0 H ASP A 133 -16.475 5.851 1.318 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.830 4.238 2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -16.476 3.689 0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.627 2.459 0.708 1.00 0.00 H new ATOM 894 N GLY A 134 -15.817 4.156 3.306 1.00 0.00 N ATOM 895 CA GLY A 134 -15.010 3.605 4.392 1.00 0.00 C ATOM 896 C GLY A 134 -14.146 2.433 3.924 1.00 0.00 C ATOM 897 O GLY A 134 -13.532 1.747 4.742 1.00 0.00 O ATOM 0 H GLY A 134 -15.400 4.953 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -14.370 4.387 4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.664 3.274 5.198 1.00 0.00 H new ATOM 901 N GLN A 135 -14.092 2.215 2.610 1.00 0.00 N ATOM 902 CA GLN A 135 -13.286 1.127 2.051 1.00 0.00 C ATOM 903 C GLN A 135 -12.303 1.663 1.019 1.00 0.00 C ATOM 904 O GLN A 135 -12.517 2.724 0.432 1.00 0.00 O ATOM 905 CB GLN A 135 -14.180 0.062 1.405 1.00 0.00 C ATOM 906 CG GLN A 135 -15.436 0.716 0.834 1.00 0.00 C ATOM 907 CD GLN A 135 -16.285 -0.327 0.115 1.00 0.00 C ATOM 908 OE1 GLN A 135 -15.923 -0.782 -0.969 1.00 0.00 O ATOM 909 NE2 GLN A 135 -17.397 -0.740 0.660 1.00 0.00 N ATOM 0 H GLN A 135 -14.592 2.772 1.917 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.730 0.671 2.870 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -13.635 -0.452 0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -14.455 -0.691 2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -16.013 1.177 1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -15.160 1.512 0.142 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -17.696 -0.362 1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -17.967 -1.441 0.187 1.00 0.00 H new ATOM 918 N VAL A 136 -11.217 0.923 0.816 1.00 0.00 N ATOM 919 CA VAL A 136 -10.184 1.319 -0.131 1.00 0.00 C ATOM 920 C VAL A 136 -9.881 0.213 -1.129 1.00 0.00 C ATOM 921 O VAL A 136 -9.731 -0.951 -0.759 1.00 0.00 O ATOM 922 CB VAL A 136 -8.908 1.677 0.627 1.00 0.00 C ATOM 923 CG1 VAL A 136 -7.724 1.709 -0.343 1.00 0.00 C ATOM 924 CG2 VAL A 136 -9.082 3.055 1.260 1.00 0.00 C ATOM 0 H VAL A 136 -11.031 0.043 1.297 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.552 2.183 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.717 0.932 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.815 1.965 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.606 0.729 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.907 2.456 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -8.176 3.322 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -9.267 3.793 0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.927 3.035 1.948 1.00 0.00 H new ATOM 934 N ASN A 137 -9.768 0.592 -2.395 1.00 0.00 N ATOM 935 CA ASN A 137 -9.453 -0.366 -3.441 1.00 0.00 C ATOM 936 C ASN A 137 -7.947 -0.356 -3.700 1.00 0.00 C ATOM 937 O ASN A 137 -7.414 0.616 -4.236 1.00 0.00 O ATOM 938 CB ASN A 137 -10.192 0.003 -4.728 1.00 0.00 C ATOM 939 CG ASN A 137 -10.027 1.492 -5.012 1.00 0.00 C ATOM 940 OD1 ASN A 137 -10.431 2.328 -4.203 1.00 0.00 O ATOM 941 ND2 ASN A 137 -9.453 1.877 -6.119 1.00 0.00 N ATOM 0 H ASN A 137 -9.889 1.551 -2.719 1.00 0.00 H new ATOM 0 HA ASN A 137 -9.766 -1.360 -3.122 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -9.802 -0.581 -5.562 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -11.250 -0.243 -4.634 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -9.339 2.871 -6.315 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -9.119 1.183 -6.788 1.00 0.00 H new ATOM 948 N TYR A 138 -7.257 -1.420 -3.302 1.00 0.00 N ATOM 949 CA TYR A 138 -5.810 -1.478 -3.490 1.00 0.00 C ATOM 950 C TYR A 138 -5.433 -1.340 -4.960 1.00 0.00 C ATOM 951 O TYR A 138 -4.261 -1.155 -5.290 1.00 0.00 O ATOM 952 CB TYR A 138 -5.233 -2.782 -2.931 1.00 0.00 C ATOM 953 CG TYR A 138 -5.904 -3.980 -3.564 1.00 0.00 C ATOM 954 CD1 TYR A 138 -5.495 -4.435 -4.824 1.00 0.00 C ATOM 955 CD2 TYR A 138 -6.917 -4.655 -2.875 1.00 0.00 C ATOM 956 CE1 TYR A 138 -6.102 -5.563 -5.391 1.00 0.00 C ATOM 957 CE2 TYR A 138 -7.525 -5.778 -3.439 1.00 0.00 C ATOM 958 CZ TYR A 138 -7.118 -6.235 -4.698 1.00 0.00 C ATOM 959 OH TYR A 138 -7.717 -7.346 -5.256 1.00 0.00 O ATOM 0 H TYR A 138 -7.666 -2.241 -2.855 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.383 -0.638 -2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -4.160 -2.820 -3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.370 -2.812 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -4.712 -3.917 -5.358 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.230 -4.306 -1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.787 -5.915 -6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.309 -6.294 -2.904 1.00 0.00 H new ATOM 0 HH TYR A 138 -8.012 -7.951 -4.544 1.00 0.00 H new ATOM 969 N GLU A 139 -6.420 -1.434 -5.841 1.00 0.00 N ATOM 970 CA GLU A 139 -6.138 -1.318 -7.266 1.00 0.00 C ATOM 971 C GLU A 139 -5.494 0.038 -7.557 1.00 0.00 C ATOM 972 O GLU A 139 -4.466 0.112 -8.230 1.00 0.00 O ATOM 973 CB GLU A 139 -7.431 -1.473 -8.071 1.00 0.00 C ATOM 974 CG GLU A 139 -7.122 -1.391 -9.569 1.00 0.00 C ATOM 975 CD GLU A 139 -8.395 -1.622 -10.378 1.00 0.00 C ATOM 976 OE1 GLU A 139 -9.432 -1.827 -9.767 1.00 0.00 O ATOM 977 OE2 GLU A 139 -8.315 -1.591 -11.595 1.00 0.00 O ATOM 0 H GLU A 139 -7.400 -1.586 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 139 -5.447 -2.109 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.902 -2.428 -7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.139 -0.692 -7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.701 -0.415 -9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -6.372 -2.136 -9.835 1.00 0.00 H new ATOM 984 N GLU A 140 -6.109 1.111 -7.062 1.00 0.00 N ATOM 985 CA GLU A 140 -5.587 2.458 -7.296 1.00 0.00 C ATOM 986 C GLU A 140 -4.167 2.597 -6.745 1.00 0.00 C ATOM 987 O GLU A 140 -3.301 3.181 -7.396 1.00 0.00 O ATOM 988 CB GLU A 140 -6.510 3.491 -6.636 1.00 0.00 C ATOM 989 CG GLU A 140 -5.997 4.914 -6.899 1.00 0.00 C ATOM 990 CD GLU A 140 -6.003 5.209 -8.395 1.00 0.00 C ATOM 991 OE1 GLU A 140 -6.730 4.538 -9.109 1.00 0.00 O ATOM 992 OE2 GLU A 140 -5.284 6.105 -8.805 1.00 0.00 O ATOM 0 H GLU A 140 -6.961 1.076 -6.502 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.553 2.635 -8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -7.522 3.385 -7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -6.561 3.309 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -6.624 5.637 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.987 5.023 -6.504 1.00 0.00 H new ATOM 999 N PHE A 141 -3.924 2.049 -5.559 1.00 0.00 N ATOM 1000 CA PHE A 141 -2.588 2.124 -4.973 1.00 0.00 C ATOM 1001 C PHE A 141 -1.586 1.440 -5.890 1.00 0.00 C ATOM 1002 O PHE A 141 -0.481 1.940 -6.106 1.00 0.00 O ATOM 1003 CB PHE A 141 -2.563 1.462 -3.591 1.00 0.00 C ATOM 1004 CG PHE A 141 -2.699 2.515 -2.515 1.00 0.00 C ATOM 1005 CD1 PHE A 141 -1.684 3.462 -2.346 1.00 0.00 C ATOM 1006 CD2 PHE A 141 -3.821 2.535 -1.673 1.00 0.00 C ATOM 1007 CE1 PHE A 141 -1.788 4.432 -1.344 1.00 0.00 C ATOM 1008 CE2 PHE A 141 -3.922 3.504 -0.667 1.00 0.00 C ATOM 1009 CZ PHE A 141 -2.906 4.453 -0.504 1.00 0.00 C ATOM 0 H PHE A 141 -4.617 1.558 -4.994 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.319 3.174 -4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.375 0.739 -3.509 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.631 0.912 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.818 3.444 -2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.606 1.804 -1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.005 5.165 -1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.784 3.519 -0.017 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.985 5.201 0.271 1.00 0.00 H new ATOM 1019 N VAL A 142 -1.987 0.306 -6.446 1.00 0.00 N ATOM 1020 CA VAL A 142 -1.128 -0.426 -7.362 1.00 0.00 C ATOM 1021 C VAL A 142 -0.839 0.406 -8.600 1.00 0.00 C ATOM 1022 O VAL A 142 0.294 0.445 -9.081 1.00 0.00 O ATOM 1023 CB VAL A 142 -1.787 -1.742 -7.767 1.00 0.00 C ATOM 1024 CG1 VAL A 142 -1.012 -2.363 -8.930 1.00 0.00 C ATOM 1025 CG2 VAL A 142 -1.758 -2.697 -6.573 1.00 0.00 C ATOM 0 H VAL A 142 -2.897 -0.124 -6.280 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.188 -0.640 -6.854 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.817 -1.561 -8.074 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.482 -3.303 -9.220 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -1.017 -1.678 -9.778 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.017 -2.551 -8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.226 -3.641 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.725 -2.878 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.302 -2.254 -5.739 1.00 0.00 H new ATOM 1035 N GLN A 143 -1.866 1.067 -9.120 1.00 0.00 N ATOM 1036 CA GLN A 143 -1.690 1.883 -10.309 1.00 0.00 C ATOM 1037 C GLN A 143 -0.663 2.973 -10.041 1.00 0.00 C ATOM 1038 O GLN A 143 0.220 3.211 -10.864 1.00 0.00 O ATOM 1039 CB GLN A 143 -3.025 2.501 -10.723 1.00 0.00 C ATOM 1040 CG GLN A 143 -2.856 3.246 -12.047 1.00 0.00 C ATOM 1041 CD GLN A 143 -4.225 3.534 -12.646 1.00 0.00 C ATOM 1042 OE1 GLN A 143 -4.733 4.650 -12.538 1.00 0.00 O ATOM 1043 NE2 GLN A 143 -4.864 2.576 -13.259 1.00 0.00 N ATOM 0 H GLN A 143 -2.814 1.054 -8.743 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.330 1.254 -11.123 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.781 1.723 -10.826 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -3.375 3.186 -9.951 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -2.315 4.178 -11.885 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -2.263 2.649 -12.739 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -4.438 1.653 -13.346 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -5.789 2.750 -13.652 1.00 0.00 H new ATOM 1052 N MET A 144 -0.758 3.623 -8.882 1.00 0.00 N ATOM 1053 CA MET A 144 0.211 4.661 -8.560 1.00 0.00 C ATOM 1054 C MET A 144 1.597 4.034 -8.543 1.00 0.00 C ATOM 1055 O MET A 144 2.557 4.599 -9.068 1.00 0.00 O ATOM 1056 CB MET A 144 -0.073 5.295 -7.188 1.00 0.00 C ATOM 1057 CG MET A 144 -1.344 6.150 -7.246 1.00 0.00 C ATOM 1058 SD MET A 144 -1.435 7.226 -5.782 1.00 0.00 S ATOM 1059 CE MET A 144 -1.819 5.979 -4.525 1.00 0.00 C ATOM 0 H MET A 144 -1.472 3.455 -8.173 1.00 0.00 H new ATOM 0 HA MET A 144 0.144 5.447 -9.312 1.00 0.00 H new ATOM 0 HB2 MET A 144 -0.187 4.514 -6.436 1.00 0.00 H new ATOM 0 HB3 MET A 144 0.773 5.911 -6.883 1.00 0.00 H new ATOM 0 HG2 MET A 144 -1.345 6.755 -8.153 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.223 5.507 -7.291 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.983 6.469 -3.565 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.719 5.436 -4.814 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.986 5.281 -4.439 1.00 0.00 H new ATOM 1069 N MET A 145 1.688 2.858 -7.932 1.00 0.00 N ATOM 1070 CA MET A 145 2.951 2.141 -7.838 1.00 0.00 C ATOM 1071 C MET A 145 3.415 1.646 -9.204 1.00 0.00 C ATOM 1072 O MET A 145 4.589 1.321 -9.382 1.00 0.00 O ATOM 1073 CB MET A 145 2.790 0.941 -6.900 1.00 0.00 C ATOM 1074 CG MET A 145 3.669 1.140 -5.666 1.00 0.00 C ATOM 1075 SD MET A 145 3.101 2.591 -4.743 1.00 0.00 S ATOM 1076 CE MET A 145 1.843 1.754 -3.746 1.00 0.00 C ATOM 0 H MET A 145 0.900 2.382 -7.494 1.00 0.00 H new ATOM 0 HA MET A 145 3.700 2.830 -7.448 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.747 0.835 -6.603 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.070 0.022 -7.415 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.629 0.254 -5.032 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.709 1.271 -5.965 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.030 2.447 -3.530 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.454 0.897 -4.296 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.287 1.414 -2.811 1.00 0.00 H new ATOM 1086 N THR A 146 2.491 1.577 -10.160 1.00 0.00 N ATOM 1087 CA THR A 146 2.822 1.103 -11.502 1.00 0.00 C ATOM 1088 C THR A 146 2.502 2.161 -12.554 1.00 0.00 C ATOM 1089 O THR A 146 2.373 1.845 -13.737 1.00 0.00 O ATOM 1090 CB THR A 146 2.034 -0.173 -11.807 1.00 0.00 C ATOM 1091 OG1 THR A 146 0.642 0.102 -11.724 1.00 0.00 O ATOM 1092 CG2 THR A 146 2.402 -1.258 -10.793 1.00 0.00 C ATOM 0 H THR A 146 1.514 1.841 -10.032 1.00 0.00 H new ATOM 0 HA THR A 146 3.892 0.896 -11.535 1.00 0.00 H new ATOM 0 HB THR A 146 2.278 -0.520 -12.811 1.00 0.00 H new ATOM 0 HG1 THR A 146 0.339 -0.021 -10.800 1.00 0.00 H new ATOM 0 HG21 THR A 146 1.840 -2.166 -11.012 1.00 0.00 H new ATOM 0 HG22 THR A 146 3.470 -1.468 -10.856 1.00 0.00 H new ATOM 0 HG23 THR A 146 2.159 -0.914 -9.788 1.00 0.00 H new ATOM 1100 N ALA A 147 2.373 3.412 -12.119 1.00 0.00 N ATOM 1101 CA ALA A 147 2.066 4.507 -13.038 1.00 0.00 C ATOM 1102 C ALA A 147 3.100 5.621 -12.919 1.00 0.00 C ATOM 1103 O ALA A 147 2.748 6.793 -12.785 1.00 0.00 O ATOM 1104 CB ALA A 147 0.676 5.069 -12.735 1.00 0.00 C ATOM 0 H ALA A 147 2.475 3.692 -11.144 1.00 0.00 H new ATOM 0 HA ALA A 147 2.089 4.115 -14.055 1.00 0.00 H new ATOM 0 HB1 ALA A 147 0.455 5.884 -13.424 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -0.069 4.282 -12.854 1.00 0.00 H new ATOM 0 HB3 ALA A 147 0.650 5.442 -11.711 1.00 0.00 H new ATOM 1110 N LYS A 148 4.377 5.254 -12.970 1.00 0.00 N ATOM 1111 CA LYS A 148 5.446 6.240 -12.868 1.00 0.00 C ATOM 1112 C LYS A 148 6.759 5.663 -13.388 1.00 0.00 C ATOM 1113 O LYS A 148 7.001 4.490 -13.154 1.00 0.00 O ATOM 1114 CB LYS A 148 5.619 6.671 -11.408 1.00 0.00 C ATOM 1115 CG LYS A 148 6.015 8.150 -11.343 1.00 0.00 C ATOM 1116 CD LYS A 148 4.755 9.019 -11.368 1.00 0.00 C ATOM 1117 CE LYS A 148 5.137 10.462 -11.699 1.00 0.00 C ATOM 1118 NZ LYS A 148 5.457 10.569 -13.151 1.00 0.00 N ATOM 1119 OXT LYS A 148 7.502 6.401 -14.012 1.00 0.00 O ATOM 0 H LYS A 148 4.694 4.291 -13.080 1.00 0.00 H new ATOM 0 HA LYS A 148 5.177 7.105 -13.474 1.00 0.00 H new ATOM 0 HB2 LYS A 148 4.691 6.510 -10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 148 6.383 6.060 -10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 148 6.586 8.345 -10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 148 6.660 8.402 -12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 148 4.053 8.638 -12.109 1.00 0.00 H new ATOM 0 HD3 LYS A 148 4.252 8.977 -10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 148 4.317 11.134 -11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 148 5.996 10.768 -11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 5.368 11.560 -13.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 6.430 10.242 -13.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 4.796 9.980 -13.696 1.00 0.00 H new TER 1133 LYS A 148 ATOM 1134 N PHE B 30 -9.153 -4.419 11.546 1.00 0.00 N ATOM 1135 CA PHE B 30 -7.969 -5.041 10.889 1.00 0.00 C ATOM 1136 C PHE B 30 -8.258 -6.516 10.627 1.00 0.00 C ATOM 1137 O PHE B 30 -8.391 -6.937 9.478 1.00 0.00 O ATOM 1138 CB PHE B 30 -6.750 -4.897 11.804 1.00 0.00 C ATOM 1139 CG PHE B 30 -7.009 -3.803 12.813 1.00 0.00 C ATOM 1140 CD1 PHE B 30 -7.402 -2.531 12.379 1.00 0.00 C ATOM 1141 CD2 PHE B 30 -6.860 -4.060 14.182 1.00 0.00 C ATOM 1142 CE1 PHE B 30 -7.646 -1.517 13.313 1.00 0.00 C ATOM 1143 CE2 PHE B 30 -7.104 -3.046 15.115 1.00 0.00 C ATOM 1144 CZ PHE B 30 -7.497 -1.774 14.681 1.00 0.00 C ATOM 0 HA PHE B 30 -7.764 -4.543 9.941 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -6.551 -5.839 12.315 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -5.864 -4.661 11.214 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -7.517 -2.332 11.324 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -6.557 -5.041 14.517 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -7.949 -0.536 12.978 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -6.989 -3.245 16.170 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.685 -0.992 15.401 1.00 0.00 H new ATOM 1154 N ASP B 31 -8.363 -7.294 11.699 1.00 0.00 N ATOM 1155 CA ASP B 31 -8.644 -8.718 11.571 1.00 0.00 C ATOM 1156 C ASP B 31 -7.626 -9.394 10.656 1.00 0.00 C ATOM 1157 O ASP B 31 -7.996 -10.139 9.749 1.00 0.00 O ATOM 1158 CB ASP B 31 -10.051 -8.919 11.006 1.00 0.00 C ATOM 1159 CG ASP B 31 -10.476 -10.375 11.165 1.00 0.00 C ATOM 1160 OD1 ASP B 31 -10.518 -10.840 12.292 1.00 0.00 O ATOM 1161 OD2 ASP B 31 -10.754 -11.004 10.157 1.00 0.00 O ATOM 0 H ASP B 31 -8.259 -6.965 12.659 1.00 0.00 H new ATOM 0 HA ASP B 31 -8.576 -9.171 12.560 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -10.756 -8.268 11.523 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -10.072 -8.639 9.953 1.00 0.00 H new ATOM 1166 N ILE B 32 -6.344 -9.131 10.904 1.00 0.00 N ATOM 1167 CA ILE B 32 -5.277 -9.723 10.099 1.00 0.00 C ATOM 1168 C ILE B 32 -4.259 -10.399 11.004 1.00 0.00 C ATOM 1169 O ILE B 32 -4.236 -10.161 12.212 1.00 0.00 O ATOM 1170 CB ILE B 32 -4.584 -8.644 9.261 1.00 0.00 C ATOM 1171 CG1 ILE B 32 -3.542 -7.908 10.108 1.00 0.00 C ATOM 1172 CG2 ILE B 32 -5.621 -7.644 8.770 1.00 0.00 C ATOM 1173 CD1 ILE B 32 -3.153 -6.599 9.416 1.00 0.00 C ATOM 0 H ILE B 32 -6.020 -8.516 11.651 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.714 -10.465 9.431 1.00 0.00 H new ATOM 0 HB ILE B 32 -4.089 -9.117 8.413 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -3.944 -7.702 11.100 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -2.661 -8.535 10.245 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.131 -6.875 8.173 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -6.363 -8.159 8.160 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.113 -7.181 9.625 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -2.411 -6.075 10.019 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.734 -6.817 8.434 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.037 -5.971 9.302 1.00 0.00 H new ATOM 1185 N ASP B 33 -3.418 -11.240 10.420 1.00 0.00 N ATOM 1186 CA ASP B 33 -2.406 -11.934 11.200 1.00 0.00 C ATOM 1187 C ASP B 33 -1.215 -11.017 11.455 1.00 0.00 C ATOM 1188 O ASP B 33 -0.219 -11.060 10.733 1.00 0.00 O ATOM 1189 CB ASP B 33 -1.942 -13.192 10.463 1.00 0.00 C ATOM 1190 CG ASP B 33 -3.037 -14.253 10.497 1.00 0.00 C ATOM 1191 OD1 ASP B 33 -3.974 -14.086 11.261 1.00 0.00 O ATOM 1192 OD2 ASP B 33 -2.923 -15.218 9.759 1.00 0.00 O ATOM 0 H ASP B 33 -3.416 -11.456 9.423 1.00 0.00 H new ATOM 0 HA ASP B 33 -2.843 -12.222 12.156 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -1.694 -12.947 9.430 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -1.034 -13.580 10.925 1.00 0.00 H new ATOM 1197 N MET B 34 -1.324 -10.193 12.493 1.00 0.00 N ATOM 1198 CA MET B 34 -0.248 -9.272 12.842 1.00 0.00 C ATOM 1199 C MET B 34 1.015 -10.050 13.198 1.00 0.00 C ATOM 1200 O MET B 34 2.127 -9.655 12.847 1.00 0.00 O ATOM 1201 CB MET B 34 -0.661 -8.418 14.044 1.00 0.00 C ATOM 1202 CG MET B 34 -1.736 -7.410 13.633 1.00 0.00 C ATOM 1203 SD MET B 34 -1.008 -6.168 12.537 1.00 0.00 S ATOM 1204 CE MET B 34 -2.458 -5.095 12.408 1.00 0.00 C ATOM 0 H MET B 34 -2.140 -10.144 13.103 1.00 0.00 H new ATOM 0 HA MET B 34 -0.050 -8.629 11.984 1.00 0.00 H new ATOM 0 HB2 MET B 34 -1.039 -9.058 14.841 1.00 0.00 H new ATOM 0 HB3 MET B 34 0.207 -7.893 14.441 1.00 0.00 H new ATOM 0 HG2 MET B 34 -2.555 -7.921 13.128 1.00 0.00 H new ATOM 0 HG3 MET B 34 -2.157 -6.930 14.516 1.00 0.00 H new ATOM 0 HE1 MET B 34 -2.360 -4.455 11.531 1.00 0.00 H new ATOM 0 HE2 MET B 34 -3.355 -5.706 12.312 1.00 0.00 H new ATOM 0 HE3 MET B 34 -2.534 -4.477 13.302 1.00 0.00 H new ATOM 1214 N ASP B 35 0.824 -11.156 13.908 1.00 0.00 N ATOM 1215 CA ASP B 35 1.936 -12.001 14.332 1.00 0.00 C ATOM 1216 C ASP B 35 2.687 -12.574 13.135 1.00 0.00 C ATOM 1217 O ASP B 35 3.910 -12.710 13.170 1.00 0.00 O ATOM 1218 CB ASP B 35 1.415 -13.149 15.200 1.00 0.00 C ATOM 1219 CG ASP B 35 0.968 -12.618 16.558 1.00 0.00 C ATOM 1220 OD1 ASP B 35 1.301 -11.487 16.869 1.00 0.00 O ATOM 1221 OD2 ASP B 35 0.300 -13.353 17.268 1.00 0.00 O ATOM 0 H ASP B 35 -0.093 -11.490 14.203 1.00 0.00 H new ATOM 0 HA ASP B 35 2.625 -11.383 14.907 1.00 0.00 H new ATOM 0 HB2 ASP B 35 0.581 -13.643 14.701 1.00 0.00 H new ATOM 0 HB3 ASP B 35 2.196 -13.898 15.333 1.00 0.00 H new ATOM 1226 N ALA B 36 1.952 -12.928 12.086 1.00 0.00 N ATOM 1227 CA ALA B 36 2.573 -13.507 10.901 1.00 0.00 C ATOM 1228 C ALA B 36 3.605 -12.537 10.297 1.00 0.00 C ATOM 1229 O ALA B 36 3.239 -11.435 9.888 1.00 0.00 O ATOM 1230 CB ALA B 36 1.495 -13.791 9.854 1.00 0.00 C ATOM 0 H ALA B 36 0.939 -12.826 12.032 1.00 0.00 H new ATOM 0 HA ALA B 36 3.078 -14.429 11.190 1.00 0.00 H new ATOM 0 HB1 ALA B 36 1.955 -14.224 8.966 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.766 -14.491 10.263 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.994 -12.861 9.586 1.00 0.00 H new ATOM 1236 N PRO B 37 4.873 -12.909 10.204 1.00 0.00 N ATOM 1237 CA PRO B 37 5.918 -12.019 9.602 1.00 0.00 C ATOM 1238 C PRO B 37 5.532 -11.522 8.211 1.00 0.00 C ATOM 1239 O PRO B 37 5.932 -10.433 7.798 1.00 0.00 O ATOM 1240 CB PRO B 37 7.152 -12.917 9.511 1.00 0.00 C ATOM 1241 CG PRO B 37 6.970 -13.931 10.581 1.00 0.00 C ATOM 1242 CD PRO B 37 5.468 -14.184 10.667 1.00 0.00 C ATOM 0 HA PRO B 37 6.068 -11.120 10.200 1.00 0.00 H new ATOM 0 HB2 PRO B 37 7.226 -13.387 8.530 1.00 0.00 H new ATOM 0 HB3 PRO B 37 8.068 -12.345 9.661 1.00 0.00 H new ATOM 0 HG2 PRO B 37 7.508 -14.849 10.344 1.00 0.00 H new ATOM 0 HG3 PRO B 37 7.360 -13.569 11.532 1.00 0.00 H new ATOM 0 HD2 PRO B 37 5.165 -15.020 10.036 1.00 0.00 H new ATOM 0 HD3 PRO B 37 5.159 -14.424 11.684 1.00 0.00 H new ATOM 1250 N GLU B 38 4.766 -12.330 7.487 1.00 0.00 N ATOM 1251 CA GLU B 38 4.352 -11.962 6.138 1.00 0.00 C ATOM 1252 C GLU B 38 3.560 -10.659 6.152 1.00 0.00 C ATOM 1253 O GLU B 38 3.768 -9.792 5.304 1.00 0.00 O ATOM 1254 CB GLU B 38 3.497 -13.080 5.533 1.00 0.00 C ATOM 1255 CG GLU B 38 3.135 -12.732 4.086 1.00 0.00 C ATOM 1256 CD GLU B 38 2.324 -13.865 3.467 1.00 0.00 C ATOM 1257 OE1 GLU B 38 2.637 -15.011 3.745 1.00 0.00 O ATOM 1258 OE2 GLU B 38 1.397 -13.569 2.730 1.00 0.00 O ATOM 0 H GLU B 38 4.422 -13.235 7.807 1.00 0.00 H new ATOM 0 HA GLU B 38 5.246 -11.818 5.531 1.00 0.00 H new ATOM 0 HB2 GLU B 38 4.041 -14.024 5.564 1.00 0.00 H new ATOM 0 HB3 GLU B 38 2.590 -13.216 6.122 1.00 0.00 H new ATOM 0 HG2 GLU B 38 2.562 -11.805 4.058 1.00 0.00 H new ATOM 0 HG3 GLU B 38 4.042 -12.563 3.506 1.00 0.00 H new ATOM 1265 N THR B 39 2.654 -10.520 7.114 1.00 0.00 N ATOM 1266 CA THR B 39 1.852 -9.307 7.207 1.00 0.00 C ATOM 1267 C THR B 39 2.748 -8.098 7.450 1.00 0.00 C ATOM 1268 O THR B 39 2.592 -7.059 6.808 1.00 0.00 O ATOM 1269 CB THR B 39 0.833 -9.430 8.343 1.00 0.00 C ATOM 1270 OG1 THR B 39 -0.031 -10.528 8.084 1.00 0.00 O ATOM 1271 CG2 THR B 39 0.009 -8.143 8.433 1.00 0.00 C ATOM 0 H THR B 39 2.459 -11.220 7.829 1.00 0.00 H new ATOM 0 HA THR B 39 1.320 -9.172 6.265 1.00 0.00 H new ATOM 0 HB THR B 39 1.356 -9.592 9.285 1.00 0.00 H new ATOM 0 HG1 THR B 39 -0.271 -10.962 8.929 1.00 0.00 H new ATOM 0 HG21 THR B 39 -0.716 -8.231 9.242 1.00 0.00 H new ATOM 0 HG22 THR B 39 0.671 -7.300 8.630 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.516 -7.980 7.491 1.00 0.00 H new ATOM 1279 N GLU B 40 3.689 -8.240 8.379 1.00 0.00 N ATOM 1280 CA GLU B 40 4.604 -7.150 8.691 1.00 0.00 C ATOM 1281 C GLU B 40 5.467 -6.815 7.479 1.00 0.00 C ATOM 1282 O GLU B 40 5.703 -5.646 7.175 1.00 0.00 O ATOM 1283 CB GLU B 40 5.504 -7.549 9.862 1.00 0.00 C ATOM 1284 CG GLU B 40 4.676 -7.611 11.146 1.00 0.00 C ATOM 1285 CD GLU B 40 5.516 -8.187 12.281 1.00 0.00 C ATOM 1286 OE1 GLU B 40 6.571 -8.729 11.995 1.00 0.00 O ATOM 1287 OE2 GLU B 40 5.092 -8.077 13.420 1.00 0.00 O ATOM 0 H GLU B 40 3.836 -9.090 8.923 1.00 0.00 H new ATOM 0 HA GLU B 40 4.018 -6.271 8.962 1.00 0.00 H new ATOM 0 HB2 GLU B 40 5.964 -8.518 9.667 1.00 0.00 H new ATOM 0 HB3 GLU B 40 6.314 -6.828 9.974 1.00 0.00 H new ATOM 0 HG2 GLU B 40 4.326 -6.613 11.411 1.00 0.00 H new ATOM 0 HG3 GLU B 40 3.791 -8.228 10.988 1.00 0.00 H new ATOM 1294 N ARG B 41 5.931 -7.851 6.787 1.00 0.00 N ATOM 1295 CA ARG B 41 6.764 -7.659 5.605 1.00 0.00 C ATOM 1296 C ARG B 41 5.971 -6.968 4.500 1.00 0.00 C ATOM 1297 O ARG B 41 6.494 -6.107 3.793 1.00 0.00 O ATOM 1298 CB ARG B 41 7.282 -9.012 5.101 1.00 0.00 C ATOM 1299 CG ARG B 41 8.286 -9.606 6.101 1.00 0.00 C ATOM 1300 CD ARG B 41 9.687 -9.028 5.858 1.00 0.00 C ATOM 1301 NE ARG B 41 10.639 -9.605 6.801 1.00 0.00 N ATOM 1302 CZ ARG B 41 11.239 -10.765 6.553 1.00 0.00 C ATOM 1303 NH1 ARG B 41 10.976 -11.415 5.452 1.00 0.00 N ATOM 1304 NH2 ARG B 41 12.091 -11.254 7.412 1.00 0.00 N ATOM 0 H ARG B 41 5.746 -8.826 7.022 1.00 0.00 H new ATOM 0 HA ARG B 41 7.611 -7.029 5.878 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.448 -9.699 4.962 1.00 0.00 H new ATOM 0 HB3 ARG B 41 7.758 -8.887 4.128 1.00 0.00 H new ATOM 0 HG2 ARG B 41 7.967 -9.387 7.120 1.00 0.00 H new ATOM 0 HG3 ARG B 41 8.311 -10.691 6.001 1.00 0.00 H new ATOM 0 HD2 ARG B 41 10.003 -9.238 4.836 1.00 0.00 H new ATOM 0 HD3 ARG B 41 9.666 -7.944 5.969 1.00 0.00 H new ATOM 0 HE ARG B 41 10.848 -9.109 7.667 1.00 0.00 H new ATOM 0 HH11 ARG B 41 10.310 -11.033 4.781 1.00 0.00 H new ATOM 0 HH12 ARG B 41 11.437 -12.305 5.263 1.00 0.00 H new ATOM 0 HH21 ARG B 41 12.296 -10.746 8.273 1.00 0.00 H new ATOM 0 HH22 ARG B 41 12.552 -12.144 7.223 1.00 0.00 H new ATOM 1318 N ALA B 42 4.707 -7.352 4.358 1.00 0.00 N ATOM 1319 CA ALA B 42 3.851 -6.763 3.335 1.00 0.00 C ATOM 1320 C ALA B 42 3.696 -5.265 3.567 1.00 0.00 C ATOM 1321 O ALA B 42 3.711 -4.476 2.622 1.00 0.00 O ATOM 1322 CB ALA B 42 2.476 -7.431 3.355 1.00 0.00 C ATOM 0 H ALA B 42 4.255 -8.063 4.933 1.00 0.00 H new ATOM 0 HA ALA B 42 4.316 -6.923 2.362 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.843 -6.985 2.588 1.00 0.00 H new ATOM 0 HB2 ALA B 42 2.587 -8.497 3.159 1.00 0.00 H new ATOM 0 HB3 ALA B 42 2.016 -7.288 4.333 1.00 0.00 H new ATOM 1328 N ALA B 43 3.549 -4.880 4.830 1.00 0.00 N ATOM 1329 CA ALA B 43 3.395 -3.472 5.173 1.00 0.00 C ATOM 1330 C ALA B 43 4.633 -2.686 4.751 1.00 0.00 C ATOM 1331 O ALA B 43 4.532 -1.570 4.243 1.00 0.00 O ATOM 1332 CB ALA B 43 3.186 -3.323 6.683 1.00 0.00 C ATOM 0 H ALA B 43 3.533 -5.517 5.626 1.00 0.00 H new ATOM 0 HA ALA B 43 2.526 -3.078 4.645 1.00 0.00 H new ATOM 0 HB1 ALA B 43 3.072 -2.268 6.932 1.00 0.00 H new ATOM 0 HB2 ALA B 43 2.289 -3.866 6.981 1.00 0.00 H new ATOM 0 HB3 ALA B 43 4.048 -3.729 7.212 1.00 0.00 H new ATOM 1338 N VAL B 44 5.800 -3.280 4.973 1.00 0.00 N ATOM 1339 CA VAL B 44 7.062 -2.637 4.623 1.00 0.00 C ATOM 1340 C VAL B 44 7.175 -2.413 3.115 1.00 0.00 C ATOM 1341 O VAL B 44 7.607 -1.349 2.671 1.00 0.00 O ATOM 1342 CB VAL B 44 8.231 -3.499 5.100 1.00 0.00 C ATOM 1343 CG1 VAL B 44 9.541 -2.941 4.541 1.00 0.00 C ATOM 1344 CG2 VAL B 44 8.282 -3.484 6.630 1.00 0.00 C ATOM 0 H VAL B 44 5.899 -4.204 5.393 1.00 0.00 H new ATOM 0 HA VAL B 44 7.092 -1.665 5.115 1.00 0.00 H new ATOM 0 HB VAL B 44 8.095 -4.522 4.749 1.00 0.00 H new ATOM 0 HG11 VAL B 44 10.373 -3.556 4.882 1.00 0.00 H new ATOM 0 HG12 VAL B 44 9.505 -2.950 3.452 1.00 0.00 H new ATOM 0 HG13 VAL B 44 9.679 -1.918 4.891 1.00 0.00 H new ATOM 0 HG21 VAL B 44 9.115 -4.098 6.972 1.00 0.00 H new ATOM 0 HG22 VAL B 44 8.418 -2.461 6.979 1.00 0.00 H new ATOM 0 HG23 VAL B 44 7.349 -3.883 7.029 1.00 0.00 H new ATOM 1354 N ALA B 45 6.807 -3.425 2.332 1.00 0.00 N ATOM 1355 CA ALA B 45 6.898 -3.319 0.878 1.00 0.00 C ATOM 1356 C ALA B 45 6.034 -2.178 0.353 1.00 0.00 C ATOM 1357 O ALA B 45 6.477 -1.393 -0.483 1.00 0.00 O ATOM 1358 CB ALA B 45 6.452 -4.632 0.233 1.00 0.00 C ATOM 0 H ALA B 45 6.448 -4.316 2.674 1.00 0.00 H new ATOM 0 HA ALA B 45 7.937 -3.113 0.619 1.00 0.00 H new ATOM 0 HB1 ALA B 45 6.522 -4.547 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA B 45 7.095 -5.443 0.576 1.00 0.00 H new ATOM 0 HB3 ALA B 45 5.420 -4.844 0.514 1.00 0.00 H new ATOM 1364 N ILE B 46 4.809 -2.080 0.850 1.00 0.00 N ATOM 1365 CA ILE B 46 3.915 -1.015 0.414 1.00 0.00 C ATOM 1366 C ILE B 46 4.481 0.343 0.816 1.00 0.00 C ATOM 1367 O ILE B 46 4.514 1.280 0.017 1.00 0.00 O ATOM 1368 CB ILE B 46 2.538 -1.201 1.048 1.00 0.00 C ATOM 1369 CG1 ILE B 46 1.886 -2.463 0.483 1.00 0.00 C ATOM 1370 CG2 ILE B 46 1.658 0.009 0.723 1.00 0.00 C ATOM 1371 CD1 ILE B 46 0.656 -2.818 1.317 1.00 0.00 C ATOM 0 H ILE B 46 4.415 -2.714 1.545 1.00 0.00 H new ATOM 0 HA ILE B 46 3.823 -1.057 -0.671 1.00 0.00 H new ATOM 0 HB ILE B 46 2.646 -1.295 2.129 1.00 0.00 H new ATOM 0 HG12 ILE B 46 1.600 -2.303 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE B 46 2.597 -3.289 0.495 1.00 0.00 H new ATOM 0 HG21 ILE B 46 0.675 -0.124 1.175 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.121 0.913 1.120 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.550 0.101 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE B 46 0.191 -3.718 0.914 1.00 0.00 H new ATOM 0 HD12 ILE B 46 0.956 -2.995 2.350 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -0.057 -1.994 1.282 1.00 0.00 H new ATOM 1383 N GLN B 47 4.918 0.437 2.069 1.00 0.00 N ATOM 1384 CA GLN B 47 5.477 1.678 2.595 1.00 0.00 C ATOM 1385 C GLN B 47 6.759 2.056 1.862 1.00 0.00 C ATOM 1386 O GLN B 47 6.974 3.223 1.535 1.00 0.00 O ATOM 1387 CB GLN B 47 5.779 1.506 4.081 1.00 0.00 C ATOM 1388 CG GLN B 47 4.469 1.414 4.864 1.00 0.00 C ATOM 1389 CD GLN B 47 4.764 1.014 6.302 1.00 0.00 C ATOM 1390 OE1 GLN B 47 5.704 0.262 6.551 1.00 0.00 O ATOM 1391 NE2 GLN B 47 4.024 1.483 7.268 1.00 0.00 N ATOM 0 H GLN B 47 4.896 -0.332 2.739 1.00 0.00 H new ATOM 0 HA GLN B 47 4.747 2.474 2.448 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.373 0.606 4.240 1.00 0.00 H new ATOM 0 HB3 GLN B 47 6.372 2.347 4.442 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.951 2.373 4.841 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.807 0.683 4.401 1.00 0.00 H new ATOM 0 HE21 GLN B 47 3.245 2.107 7.057 1.00 0.00 H new ATOM 0 HE22 GLN B 47 4.224 1.226 8.235 1.00 0.00 H new ATOM 1400 N SER B 48 7.606 1.066 1.601 1.00 0.00 N ATOM 1401 CA SER B 48 8.858 1.322 0.902 1.00 0.00 C ATOM 1402 C SER B 48 8.567 1.873 -0.486 1.00 0.00 C ATOM 1403 O SER B 48 9.166 2.857 -0.918 1.00 0.00 O ATOM 1404 CB SER B 48 9.668 0.031 0.785 1.00 0.00 C ATOM 1405 OG SER B 48 10.882 0.298 0.095 1.00 0.00 O ATOM 0 H SER B 48 7.451 0.092 1.859 1.00 0.00 H new ATOM 0 HA SER B 48 9.436 2.053 1.467 1.00 0.00 H new ATOM 0 HB2 SER B 48 9.880 -0.370 1.776 1.00 0.00 H new ATOM 0 HB3 SER B 48 9.092 -0.726 0.252 1.00 0.00 H new ATOM 0 HG SER B 48 11.404 -0.528 0.020 1.00 0.00 H new ATOM 1411 N GLN B 49 7.628 1.233 -1.171 1.00 0.00 N ATOM 1412 CA GLN B 49 7.238 1.661 -2.504 1.00 0.00 C ATOM 1413 C GLN B 49 6.586 3.039 -2.451 1.00 0.00 C ATOM 1414 O GLN B 49 6.820 3.882 -3.317 1.00 0.00 O ATOM 1415 CB GLN B 49 6.270 0.645 -3.106 1.00 0.00 C ATOM 1416 CG GLN B 49 7.016 -0.660 -3.395 1.00 0.00 C ATOM 1417 CD GLN B 49 7.994 -0.461 -4.548 1.00 0.00 C ATOM 1418 OE1 GLN B 49 7.821 0.449 -5.359 1.00 0.00 O ATOM 1419 NE2 GLN B 49 9.017 -1.262 -4.669 1.00 0.00 N ATOM 0 H GLN B 49 7.124 0.417 -0.824 1.00 0.00 H new ATOM 0 HA GLN B 49 8.128 1.724 -3.130 1.00 0.00 H new ATOM 0 HB2 GLN B 49 5.445 0.460 -2.418 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.836 1.040 -4.025 1.00 0.00 H new ATOM 0 HG2 GLN B 49 7.553 -0.986 -2.504 1.00 0.00 H new ATOM 0 HG3 GLN B 49 6.304 -1.447 -3.643 1.00 0.00 H new ATOM 0 HE21 GLN B 49 9.158 -2.015 -3.995 1.00 0.00 H new ATOM 0 HE22 GLN B 49 9.676 -1.135 -5.437 1.00 0.00 H new ATOM 1428 N PHE B 50 5.769 3.262 -1.424 1.00 0.00 N ATOM 1429 CA PHE B 50 5.091 4.543 -1.262 1.00 0.00 C ATOM 1430 C PHE B 50 6.103 5.676 -1.129 1.00 0.00 C ATOM 1431 O PHE B 50 5.982 6.709 -1.786 1.00 0.00 O ATOM 1432 CB PHE B 50 4.174 4.513 -0.034 1.00 0.00 C ATOM 1433 CG PHE B 50 3.608 5.896 0.201 1.00 0.00 C ATOM 1434 CD1 PHE B 50 2.794 6.490 -0.772 1.00 0.00 C ATOM 1435 CD2 PHE B 50 3.915 6.595 1.378 1.00 0.00 C ATOM 1436 CE1 PHE B 50 2.283 7.777 -0.568 1.00 0.00 C ATOM 1437 CE2 PHE B 50 3.405 7.883 1.578 1.00 0.00 C ATOM 1438 CZ PHE B 50 2.589 8.474 0.606 1.00 0.00 C ATOM 0 H PHE B 50 5.562 2.577 -0.697 1.00 0.00 H new ATOM 0 HA PHE B 50 4.485 4.720 -2.150 1.00 0.00 H new ATOM 0 HB2 PHE B 50 3.366 3.798 -0.187 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.731 4.182 0.842 1.00 0.00 H new ATOM 0 HD1 PHE B 50 2.560 5.954 -1.680 1.00 0.00 H new ATOM 0 HD2 PHE B 50 4.544 6.140 2.129 1.00 0.00 H new ATOM 0 HE1 PHE B 50 1.652 8.232 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE B 50 3.641 8.422 2.484 1.00 0.00 H new ATOM 0 HZ PHE B 50 2.196 9.468 0.762 1.00 0.00 H new ATOM 1448 N ARG B 51 7.097 5.479 -0.272 1.00 0.00 N ATOM 1449 CA ARG B 51 8.118 6.498 -0.062 1.00 0.00 C ATOM 1450 C ARG B 51 8.844 6.793 -1.375 1.00 0.00 C ATOM 1451 O ARG B 51 9.084 7.952 -1.713 1.00 0.00 O ATOM 1452 CB ARG B 51 9.123 6.014 0.992 1.00 0.00 C ATOM 1453 CG ARG B 51 10.053 7.160 1.410 1.00 0.00 C ATOM 1454 CD ARG B 51 9.414 7.963 2.547 1.00 0.00 C ATOM 1455 NE ARG B 51 9.228 7.115 3.720 1.00 0.00 N ATOM 1456 CZ ARG B 51 10.234 6.859 4.550 1.00 0.00 C ATOM 1457 NH1 ARG B 51 11.413 7.371 4.323 1.00 0.00 N ATOM 1458 NH2 ARG B 51 10.044 6.096 5.591 1.00 0.00 N ATOM 0 H ARG B 51 7.218 4.632 0.284 1.00 0.00 H new ATOM 0 HA ARG B 51 7.640 7.412 0.290 1.00 0.00 H new ATOM 0 HB2 ARG B 51 8.591 5.633 1.863 1.00 0.00 H new ATOM 0 HB3 ARG B 51 9.711 5.188 0.591 1.00 0.00 H new ATOM 0 HG2 ARG B 51 11.015 6.760 1.731 1.00 0.00 H new ATOM 0 HG3 ARG B 51 10.247 7.811 0.558 1.00 0.00 H new ATOM 0 HD2 ARG B 51 10.046 8.814 2.801 1.00 0.00 H new ATOM 0 HD3 ARG B 51 8.454 8.365 2.223 1.00 0.00 H new ATOM 0 HE ARG B 51 8.310 6.712 3.906 1.00 0.00 H new ATOM 0 HH11 ARG B 51 11.562 7.967 3.509 1.00 0.00 H new ATOM 0 HH12 ARG B 51 12.185 7.175 4.960 1.00 0.00 H new ATOM 0 HH21 ARG B 51 9.123 5.695 5.768 1.00 0.00 H new ATOM 0 HH22 ARG B 51 10.817 5.900 6.227 1.00 0.00 H new ATOM 1472 N LYS B 52 9.183 5.739 -2.114 1.00 0.00 N ATOM 1473 CA LYS B 52 9.871 5.902 -3.393 1.00 0.00 C ATOM 1474 C LYS B 52 8.963 6.597 -4.402 1.00 0.00 C ATOM 1475 O LYS B 52 9.420 7.400 -5.214 1.00 0.00 O ATOM 1476 CB LYS B 52 10.293 4.537 -3.943 1.00 0.00 C ATOM 1477 CG LYS B 52 11.823 4.452 -4.023 1.00 0.00 C ATOM 1478 CD LYS B 52 12.437 4.519 -2.619 1.00 0.00 C ATOM 1479 CE LYS B 52 13.712 3.673 -2.584 1.00 0.00 C ATOM 1480 NZ LYS B 52 14.668 4.174 -3.612 1.00 0.00 N ATOM 0 H LYS B 52 8.995 4.771 -1.853 1.00 0.00 H new ATOM 0 HA LYS B 52 10.757 6.516 -3.230 1.00 0.00 H new ATOM 0 HB2 LYS B 52 9.910 3.743 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS B 52 9.860 4.385 -4.932 1.00 0.00 H new ATOM 0 HG2 LYS B 52 12.117 3.523 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS B 52 12.207 5.269 -4.634 1.00 0.00 H new ATOM 0 HD2 LYS B 52 12.665 5.552 -2.358 1.00 0.00 H new ATOM 0 HD3 LYS B 52 11.724 4.154 -1.880 1.00 0.00 H new ATOM 0 HE2 LYS B 52 14.167 3.722 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS B 52 13.472 2.627 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 15.620 3.809 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 14.367 3.849 -4.553 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 14.684 5.214 -3.593 1.00 0.00 H new ATOM 1494 N PHE B 53 7.674 6.282 -4.340 1.00 0.00 N ATOM 1495 CA PHE B 53 6.703 6.880 -5.248 1.00 0.00 C ATOM 1496 C PHE B 53 6.697 8.397 -5.095 1.00 0.00 C ATOM 1497 O PHE B 53 6.714 9.131 -6.083 1.00 0.00 O ATOM 1498 CB PHE B 53 5.305 6.325 -4.959 1.00 0.00 C ATOM 1499 CG PHE B 53 4.297 6.991 -5.865 1.00 0.00 C ATOM 1500 CD1 PHE B 53 4.177 6.582 -7.199 1.00 0.00 C ATOM 1501 CD2 PHE B 53 3.479 8.013 -5.370 1.00 0.00 C ATOM 1502 CE1 PHE B 53 3.239 7.197 -8.038 1.00 0.00 C ATOM 1503 CE2 PHE B 53 2.541 8.628 -6.209 1.00 0.00 C ATOM 1504 CZ PHE B 53 2.421 8.220 -7.542 1.00 0.00 C ATOM 0 H PHE B 53 7.279 5.619 -3.673 1.00 0.00 H new ATOM 0 HA PHE B 53 6.984 6.631 -6.271 1.00 0.00 H new ATOM 0 HB2 PHE B 53 5.292 5.246 -5.115 1.00 0.00 H new ATOM 0 HB3 PHE B 53 5.042 6.500 -3.916 1.00 0.00 H new ATOM 0 HD1 PHE B 53 4.808 5.793 -7.581 1.00 0.00 H new ATOM 0 HD2 PHE B 53 3.571 8.328 -4.341 1.00 0.00 H new ATOM 0 HE1 PHE B 53 3.147 6.882 -9.067 1.00 0.00 H new ATOM 0 HE2 PHE B 53 1.910 9.417 -5.827 1.00 0.00 H new ATOM 0 HZ PHE B 53 1.697 8.694 -8.189 1.00 0.00 H new ATOM 1514 N GLN B 54 6.665 8.858 -3.849 1.00 0.00 N ATOM 1515 CA GLN B 54 6.647 10.291 -3.575 1.00 0.00 C ATOM 1516 C GLN B 54 7.912 10.957 -4.113 1.00 0.00 C ATOM 1517 O GLN B 54 7.855 12.053 -4.669 1.00 0.00 O ATOM 1518 CB GLN B 54 6.559 10.527 -2.062 1.00 0.00 C ATOM 1519 CG GLN B 54 5.190 10.082 -1.533 1.00 0.00 C ATOM 1520 CD GLN B 54 4.079 10.932 -2.144 1.00 0.00 C ATOM 1521 OE1 GLN B 54 3.217 10.411 -2.852 1.00 0.00 O ATOM 1522 NE2 GLN B 54 4.049 12.215 -1.911 1.00 0.00 N ATOM 0 H GLN B 54 6.651 8.266 -3.019 1.00 0.00 H new ATOM 0 HA GLN B 54 5.779 10.726 -4.070 1.00 0.00 H new ATOM 0 HB2 GLN B 54 7.350 9.975 -1.554 1.00 0.00 H new ATOM 0 HB3 GLN B 54 6.716 11.583 -1.842 1.00 0.00 H new ATOM 0 HG2 GLN B 54 5.025 9.031 -1.772 1.00 0.00 H new ATOM 0 HG3 GLN B 54 5.167 10.169 -0.447 1.00 0.00 H new ATOM 0 HE21 GLN B 54 4.765 12.644 -1.324 1.00 0.00 H new ATOM 0 HE22 GLN B 54 3.310 12.790 -2.316 1.00 0.00 H new ATOM 1531 N LYS B 55 9.051 10.291 -3.948 1.00 0.00 N ATOM 1532 CA LYS B 55 10.316 10.839 -4.427 1.00 0.00 C ATOM 1533 C LYS B 55 10.300 10.997 -5.944 1.00 0.00 C ATOM 1534 O LYS B 55 10.804 11.985 -6.478 1.00 0.00 O ATOM 1535 CB LYS B 55 11.476 9.925 -4.024 1.00 0.00 C ATOM 1536 CG LYS B 55 11.694 10.003 -2.512 1.00 0.00 C ATOM 1537 CD LYS B 55 12.864 9.097 -2.120 1.00 0.00 C ATOM 1538 CE LYS B 55 13.087 9.172 -0.609 1.00 0.00 C ATOM 1539 NZ LYS B 55 13.469 10.563 -0.232 1.00 0.00 N ATOM 0 H LYS B 55 9.125 9.382 -3.492 1.00 0.00 H new ATOM 0 HA LYS B 55 10.451 11.820 -3.972 1.00 0.00 H new ATOM 0 HB2 LYS B 55 11.261 8.898 -4.317 1.00 0.00 H new ATOM 0 HB3 LYS B 55 12.385 10.222 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS B 55 11.901 11.031 -2.216 1.00 0.00 H new ATOM 0 HG3 LYS B 55 10.790 9.696 -1.987 1.00 0.00 H new ATOM 0 HD2 LYS B 55 12.656 8.069 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS B 55 13.767 9.404 -2.647 1.00 0.00 H new ATOM 0 HE2 LYS B 55 12.180 8.877 -0.082 1.00 0.00 H new ATOM 0 HE3 LYS B 55 13.870 8.475 -0.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 13.941 10.554 0.695 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 14.117 10.951 -0.947 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 12.616 11.156 -0.181 1.00 0.00 H new ATOM 1553 N LYS B 56 9.722 10.019 -6.633 1.00 0.00 N ATOM 1554 CA LYS B 56 9.654 10.066 -8.089 1.00 0.00 C ATOM 1555 C LYS B 56 8.832 11.265 -8.549 1.00 0.00 C ATOM 1556 O LYS B 56 9.180 11.931 -9.525 1.00 0.00 O ATOM 1557 CB LYS B 56 9.030 8.776 -8.626 1.00 0.00 C ATOM 1558 CG LYS B 56 10.015 7.616 -8.425 1.00 0.00 C ATOM 1559 CD LYS B 56 9.362 6.281 -8.811 1.00 0.00 C ATOM 1560 CE LYS B 56 9.358 6.108 -10.335 1.00 0.00 C ATOM 1561 NZ LYS B 56 10.763 6.087 -10.834 1.00 0.00 N ATOM 0 H LYS B 56 9.298 9.192 -6.212 1.00 0.00 H new ATOM 0 HA LYS B 56 10.667 10.166 -8.478 1.00 0.00 H new ATOM 0 HB2 LYS B 56 8.094 8.568 -8.108 1.00 0.00 H new ATOM 0 HB3 LYS B 56 8.791 8.887 -9.684 1.00 0.00 H new ATOM 0 HG2 LYS B 56 10.907 7.780 -9.030 1.00 0.00 H new ATOM 0 HG3 LYS B 56 10.338 7.582 -7.385 1.00 0.00 H new ATOM 0 HD2 LYS B 56 9.903 5.457 -8.347 1.00 0.00 H new ATOM 0 HD3 LYS B 56 8.341 6.246 -8.432 1.00 0.00 H new ATOM 0 HE2 LYS B 56 8.850 5.182 -10.606 1.00 0.00 H new ATOM 0 HE3 LYS B 56 8.806 6.923 -10.803 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 10.819 5.498 -11.689 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 11.065 7.056 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 11.386 5.692 -10.101 1.00 0.00 H new ATOM 1575 N LYS B 57 7.744 11.538 -7.838 1.00 0.00 N ATOM 1576 CA LYS B 57 6.882 12.663 -8.181 1.00 0.00 C ATOM 1577 C LYS B 57 7.661 13.972 -8.089 1.00 0.00 C ATOM 1578 O LYS B 57 7.561 14.830 -8.966 1.00 0.00 O ATOM 1579 CB LYS B 57 5.680 12.703 -7.230 1.00 0.00 C ATOM 1580 CG LYS B 57 4.751 13.861 -7.608 1.00 0.00 C ATOM 1581 CD LYS B 57 3.539 13.865 -6.675 1.00 0.00 C ATOM 1582 CE LYS B 57 2.612 15.024 -7.046 1.00 0.00 C ATOM 1583 NZ LYS B 57 1.428 15.022 -6.142 1.00 0.00 N ATOM 0 H LYS B 57 7.439 11.000 -7.026 1.00 0.00 H new ATOM 0 HA LYS B 57 6.527 12.537 -9.204 1.00 0.00 H new ATOM 0 HB2 LYS B 57 5.136 11.759 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS B 57 6.023 12.822 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS B 57 5.284 14.809 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS B 57 4.426 13.758 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS B 57 3.004 12.919 -6.753 1.00 0.00 H new ATOM 0 HD3 LYS B 57 3.864 13.963 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS B 57 3.145 15.971 -6.962 1.00 0.00 H new ATOM 0 HE3 LYS B 57 2.291 14.929 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 0.798 15.810 -6.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 0.916 14.123 -6.243 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 1.743 15.132 -5.157 1.00 0.00 H new ATOM 1597 N ALA B 58 8.436 14.116 -7.019 1.00 0.00 N ATOM 1598 CA ALA B 58 9.230 15.323 -6.814 1.00 0.00 C ATOM 1599 C ALA B 58 10.517 15.267 -7.631 1.00 0.00 C ATOM 1600 O ALA B 58 11.254 16.250 -7.711 1.00 0.00 O ATOM 1601 CB ALA B 58 9.571 15.478 -5.331 1.00 0.00 C ATOM 0 H ALA B 58 8.531 13.416 -6.283 1.00 0.00 H new ATOM 0 HA ALA B 58 8.643 16.180 -7.144 1.00 0.00 H new ATOM 0 HB1 ALA B 58 10.164 16.381 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA B 58 8.651 15.551 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA B 58 10.142 14.612 -4.997 1.00 0.00 H new ATOM 1607 N GLY B 59 10.786 14.112 -8.230 1.00 0.00 N ATOM 1608 CA GLY B 59 11.993 13.942 -9.031 1.00 0.00 C ATOM 1609 C GLY B 59 11.959 14.831 -10.270 1.00 0.00 C ATOM 1610 O GLY B 59 10.890 15.129 -10.803 1.00 0.00 O ATOM 0 H GLY B 59 10.190 13.286 -8.177 1.00 0.00 H new ATOM 0 HA2 GLY B 59 12.869 14.184 -8.430 1.00 0.00 H new ATOM 0 HA3 GLY B 59 12.090 12.899 -9.331 1.00 0.00 H new ATOM 1614 N SER B 60 13.139 15.250 -10.720 1.00 0.00 N ATOM 1615 CA SER B 60 13.246 16.107 -11.897 1.00 0.00 C ATOM 1616 C SER B 60 14.231 15.516 -12.902 1.00 0.00 C ATOM 1617 O SER B 60 15.173 14.819 -12.525 1.00 0.00 O ATOM 1618 CB SER B 60 13.714 17.503 -11.483 1.00 0.00 C ATOM 1619 OG SER B 60 12.756 18.077 -10.604 1.00 0.00 O ATOM 0 H SER B 60 14.032 15.011 -10.289 1.00 0.00 H new ATOM 0 HA SER B 60 12.264 16.176 -12.365 1.00 0.00 H new ATOM 0 HB2 SER B 60 14.685 17.443 -10.992 1.00 0.00 H new ATOM 0 HB3 SER B 60 13.840 18.133 -12.364 1.00 0.00 H new ATOM 0 HG SER B 60 13.053 18.971 -10.335 1.00 0.00 H new ATOM 1625 N GLN B 61 14.006 15.799 -14.181 1.00 0.00 N ATOM 1626 CA GLN B 61 14.881 15.289 -15.230 1.00 0.00 C ATOM 1627 C GLN B 61 16.294 15.840 -15.067 1.00 0.00 C ATOM 1628 O GLN B 61 17.258 15.263 -15.571 1.00 0.00 O ATOM 1629 CB GLN B 61 14.327 15.675 -16.605 1.00 0.00 C ATOM 1630 CG GLN B 61 14.329 17.199 -16.758 1.00 0.00 C ATOM 1631 CD GLN B 61 13.663 17.591 -18.073 1.00 0.00 C ATOM 1632 OE1 GLN B 61 14.093 17.156 -19.141 1.00 0.00 O ATOM 1633 NE2 GLN B 61 12.632 18.391 -18.058 1.00 0.00 N ATOM 0 H GLN B 61 13.232 16.374 -14.514 1.00 0.00 H new ATOM 0 HA GLN B 61 14.921 14.203 -15.150 1.00 0.00 H new ATOM 0 HB2 GLN B 61 14.931 15.221 -17.391 1.00 0.00 H new ATOM 0 HB3 GLN B 61 13.314 15.290 -16.720 1.00 0.00 H new ATOM 0 HG2 GLN B 61 13.801 17.658 -15.922 1.00 0.00 H new ATOM 0 HG3 GLN B 61 15.352 17.574 -16.733 1.00 0.00 H new ATOM 0 HE21 GLN B 61 12.278 18.750 -17.171 1.00 0.00 H new ATOM 0 HE22 GLN B 61 12.180 18.657 -18.933 1.00 0.00 H new ATOM 1642 N SER B 62 16.409 16.960 -14.360 1.00 0.00 N ATOM 1643 CA SER B 62 17.710 17.580 -14.137 1.00 0.00 C ATOM 1644 C SER B 62 17.660 18.511 -12.930 1.00 0.00 C ATOM 1645 O SER B 62 16.850 19.423 -12.944 1.00 0.00 O ATOM 1646 CB SER B 62 18.132 18.370 -15.376 1.00 0.00 C ATOM 1647 OG SER B 62 17.508 19.647 -15.353 1.00 0.00 O ATOM 1648 OXT SER B 62 18.433 18.299 -12.010 1.00 0.00 O ATOM 0 H SER B 62 15.624 17.453 -13.935 1.00 0.00 H new ATOM 0 HA SER B 62 18.438 16.792 -13.944 1.00 0.00 H new ATOM 0 HB2 SER B 62 19.216 18.482 -15.398 1.00 0.00 H new ATOM 0 HB3 SER B 62 17.849 17.830 -16.280 1.00 0.00 H new ATOM 0 HG SER B 62 16.929 19.714 -14.565 1.00 0.00 H new TER 1654 SER B 62