USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1210 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 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 123 GLN : amide:sc= 0.136 K(o=0.14,f=-2.9!) USER MOD Set 2.1: A 50 THR OG1 : rot -140:sc= 0.961 USER MOD Set 2.2: A 56 LYS NZ :NH3+ -126:sc= 1.22 (180deg=0.617) USER MOD Set 3.1: A 28 GLN : amide:sc= 0.0526 K(o=-0.43,f=-5.6!) USER MOD Set 3.2: A 34 CYS SG : rot -147:sc= -0.483 USER MOD Set 4.1: A 24 ASN : amide:sc= 1.1 K(o=1.7,f=-7.3!) USER MOD Set 4.2: A 25 HIS : no HE2:sc= 0.626 K(o=1.7,f=-3.7!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.586 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -47:sc= 0.284 USER MOD Single : A 21 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.8!) USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.181) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.2 K(o=-0.2,f=-3.9) USER MOD Single : A 54 THR OG1 : rot -61:sc= 0.112 USER MOD Single : A 57 THR OG1 : rot 170:sc= 0.792 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.679 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.0886 F(o=-0.81,f=-0.089) USER MOD Single : A 72 ASN : amide:sc= 0.192 K(o=0.19,f=-4.2!) USER MOD Single : A 74 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.5!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 94:sc= -0.159 USER MOD Single : A 97 ASN : amide:sc= -0.0716 X(o=-0.072,f=-0.27) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -20:sc= 0.227 USER MOD Single : A 110 SER OG : rot 160:sc= 0.0238 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -84:sc= 0.0986 USER MOD Single : A 122 HIS : no HD1:sc= -0.762 K(o=-0.76,f=-1.9!) USER MOD Single : A 124 SER OG : rot 80:sc= 0.207 USER MOD Single : A 126 SER OG : rot 87:sc= 0.0685 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl -144:sc= -1.14 (180deg=-2.53) USER MOD Single : A 134 THR OG1 : rot -79:sc= 1.22 USER MOD Single : A 135 THR OG1 : rot -63:sc= 0.659 USER MOD Single : A 140 THR OG1 : rot 168:sc= 0.776 USER MOD Single : A 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 CYS SG : rot -120:sc= -0.507 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.0645 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 THR OG1 : rot 28:sc= 0.829 USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 158 ASN : amide:sc=-0.00273 K(o=-0.0027,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.054 6.741 -15.935 1.00 2.78 N ATOM 2 CA ALA A 1 11.996 7.999 -15.168 1.00 2.39 C ATOM 3 C ALA A 1 10.585 8.184 -14.621 1.00 1.91 C ATOM 4 O ALA A 1 9.727 8.708 -15.323 1.00 2.07 O ATOM 5 CB ALA A 1 12.431 9.193 -16.026 1.00 3.26 C ATOM 0 H1 ALA A 1 13.014 6.608 -16.312 1.00 2.78 H new ATOM 0 H2 ALA A 1 11.813 5.944 -15.313 1.00 2.78 H new ATOM 0 H3 ALA A 1 11.376 6.783 -16.723 1.00 2.78 H new ATOM 0 HA ALA A 1 12.694 7.945 -14.333 1.00 2.39 H new ATOM 0 HB1 ALA A 1 12.378 10.106 -15.433 1.00 3.26 H new ATOM 0 HB2 ALA A 1 13.455 9.042 -16.368 1.00 3.26 H new ATOM 0 HB3 ALA A 1 11.770 9.281 -16.888 1.00 3.26 H new ATOM 11 N PRO A 2 10.334 7.695 -13.402 1.00 1.49 N ATOM 12 CA PRO A 2 9.048 7.813 -12.731 1.00 1.14 C ATOM 13 C PRO A 2 8.877 9.224 -12.157 1.00 1.07 C ATOM 14 O PRO A 2 9.760 10.067 -12.306 1.00 1.28 O ATOM 15 CB PRO A 2 9.109 6.749 -11.634 1.00 1.01 C ATOM 16 CG PRO A 2 10.586 6.737 -11.244 1.00 1.32 C ATOM 17 CD PRO A 2 11.297 6.994 -12.569 1.00 1.58 C ATOM 0 HA PRO A 2 8.195 7.662 -13.393 1.00 1.14 H new ATOM 0 HB2 PRO A 2 8.471 7.005 -10.788 1.00 1.01 H new ATOM 0 HB3 PRO A 2 8.780 5.776 -11.998 1.00 1.01 H new ATOM 0 HG2 PRO A 2 10.815 7.508 -10.508 1.00 1.32 H new ATOM 0 HG3 PRO A 2 10.880 5.782 -10.808 1.00 1.32 H new ATOM 0 HD2 PRO A 2 12.196 7.592 -12.421 1.00 1.58 H new ATOM 0 HD3 PRO A 2 11.609 6.059 -13.034 1.00 1.58 H new ATOM 25 N ALA A 3 7.751 9.494 -11.486 1.00 0.90 N ATOM 26 CA ALA A 3 7.490 10.789 -10.871 1.00 0.96 C ATOM 27 C ALA A 3 6.482 10.607 -9.742 1.00 0.80 C ATOM 28 O ALA A 3 5.589 9.764 -9.850 1.00 0.74 O ATOM 29 CB ALA A 3 6.937 11.765 -11.915 1.00 1.19 C ATOM 0 H ALA A 3 6.999 8.817 -11.357 1.00 0.90 H new ATOM 0 HA ALA A 3 8.418 11.198 -10.472 1.00 0.96 H new ATOM 0 HB1 ALA A 3 6.745 12.730 -11.445 1.00 1.19 H new ATOM 0 HB2 ALA A 3 7.664 11.890 -12.717 1.00 1.19 H new ATOM 0 HB3 ALA A 3 6.008 11.370 -12.326 1.00 1.19 H new ATOM 35 N TYR A 4 6.633 11.392 -8.673 1.00 0.82 N ATOM 36 CA TYR A 4 5.802 11.321 -7.479 1.00 0.75 C ATOM 37 C TYR A 4 4.617 12.266 -7.640 1.00 0.74 C ATOM 38 O TYR A 4 4.747 13.322 -8.255 1.00 0.89 O ATOM 39 CB TYR A 4 6.617 11.718 -6.235 1.00 0.86 C ATOM 40 CG TYR A 4 8.107 11.437 -6.317 1.00 1.22 C ATOM 41 CD1 TYR A 4 8.575 10.136 -6.582 1.00 1.47 C ATOM 42 CD2 TYR A 4 9.024 12.497 -6.174 1.00 2.06 C ATOM 43 CE1 TYR A 4 9.954 9.900 -6.714 1.00 2.18 C ATOM 44 CE2 TYR A 4 10.404 12.264 -6.294 1.00 2.69 C ATOM 45 CZ TYR A 4 10.875 10.960 -6.567 1.00 2.65 C ATOM 46 OH TYR A 4 12.208 10.713 -6.692 1.00 3.42 O ATOM 0 H TYR A 4 7.355 12.110 -8.617 1.00 0.82 H new ATOM 0 HA TYR A 4 5.446 10.299 -7.350 1.00 0.75 H new ATOM 0 HB2 TYR A 4 6.475 12.783 -6.053 1.00 0.86 H new ATOM 0 HB3 TYR A 4 6.212 11.190 -5.372 1.00 0.86 H new ATOM 0 HD1 TYR A 4 7.875 9.320 -6.684 1.00 1.47 H new ATOM 0 HD2 TYR A 4 8.664 13.495 -5.971 1.00 2.06 H new ATOM 0 HE1 TYR A 4 10.311 8.904 -6.929 1.00 2.18 H new ATOM 0 HE2 TYR A 4 11.103 13.079 -6.178 1.00 2.69 H new ATOM 0 HH TYR A 4 12.708 11.546 -6.565 1.00 3.42 H new ATOM 56 N THR A 5 3.468 11.916 -7.066 1.00 0.62 N ATOM 57 CA THR A 5 2.255 12.717 -7.110 1.00 0.67 C ATOM 58 C THR A 5 1.438 12.374 -5.863 1.00 0.61 C ATOM 59 O THR A 5 1.835 11.496 -5.102 1.00 0.52 O ATOM 60 CB THR A 5 1.463 12.425 -8.397 1.00 0.73 C ATOM 61 OG1 THR A 5 1.335 11.038 -8.603 1.00 1.41 O ATOM 62 CG2 THR A 5 2.098 13.020 -9.653 1.00 1.33 C ATOM 0 H THR A 5 3.356 11.046 -6.546 1.00 0.62 H new ATOM 0 HA THR A 5 2.492 13.781 -7.120 1.00 0.67 H new ATOM 0 HB THR A 5 0.491 12.895 -8.244 1.00 0.73 H new ATOM 0 HG1 THR A 5 0.827 10.875 -9.425 1.00 1.41 H new ATOM 0 HG21 THR A 5 1.486 12.775 -10.521 1.00 1.33 H new ATOM 0 HG22 THR A 5 2.163 14.103 -9.550 1.00 1.33 H new ATOM 0 HG23 THR A 5 3.098 12.607 -9.786 1.00 1.33 H new ATOM 70 N VAL A 6 0.319 13.060 -5.636 1.00 0.73 N ATOM 71 CA VAL A 6 -0.572 12.828 -4.509 1.00 0.79 C ATOM 72 C VAL A 6 -2.007 13.040 -4.998 1.00 0.77 C ATOM 73 O VAL A 6 -2.217 13.902 -5.853 1.00 0.81 O ATOM 74 CB VAL A 6 -0.154 13.766 -3.358 1.00 0.99 C ATOM 75 CG1 VAL A 6 -0.281 15.252 -3.720 1.00 1.23 C ATOM 76 CG2 VAL A 6 -0.964 13.516 -2.092 1.00 2.09 C ATOM 0 H VAL A 6 0.002 13.811 -6.249 1.00 0.73 H new ATOM 0 HA VAL A 6 -0.511 11.812 -4.119 1.00 0.79 H new ATOM 0 HB VAL A 6 0.896 13.534 -3.179 1.00 0.99 H new ATOM 0 HG11 VAL A 6 0.027 15.861 -2.870 1.00 1.23 H new ATOM 0 HG12 VAL A 6 0.357 15.474 -4.576 1.00 1.23 H new ATOM 0 HG13 VAL A 6 -1.317 15.478 -3.971 1.00 1.23 H new ATOM 0 HG21 VAL A 6 -0.635 14.199 -1.309 1.00 2.09 H new ATOM 0 HG22 VAL A 6 -2.021 13.682 -2.298 1.00 2.09 H new ATOM 0 HG23 VAL A 6 -0.816 12.488 -1.762 1.00 2.09 H new ATOM 86 N LYS A 7 -2.989 12.273 -4.506 1.00 0.76 N ATOM 87 CA LYS A 7 -4.381 12.437 -4.929 1.00 0.77 C ATOM 88 C LYS A 7 -5.328 12.229 -3.752 1.00 0.85 C ATOM 89 O LYS A 7 -5.347 11.172 -3.124 1.00 1.02 O ATOM 90 CB LYS A 7 -4.715 11.464 -6.068 1.00 0.75 C ATOM 91 CG LYS A 7 -4.586 12.144 -7.436 1.00 0.88 C ATOM 92 CD LYS A 7 -4.837 11.117 -8.542 1.00 0.80 C ATOM 93 CE LYS A 7 -4.586 11.720 -9.927 1.00 1.47 C ATOM 94 NZ LYS A 7 -4.536 10.670 -10.973 1.00 1.95 N ATOM 0 H LYS A 7 -2.843 11.535 -3.817 1.00 0.76 H new ATOM 0 HA LYS A 7 -4.510 13.455 -5.297 1.00 0.77 H new ATOM 0 HB2 LYS A 7 -4.047 10.604 -6.022 1.00 0.75 H new ATOM 0 HB3 LYS A 7 -5.730 11.087 -5.941 1.00 0.75 H new ATOM 0 HG2 LYS A 7 -5.301 12.963 -7.516 1.00 0.88 H new ATOM 0 HG3 LYS A 7 -3.592 12.577 -7.546 1.00 0.88 H new ATOM 0 HD2 LYS A 7 -4.187 10.255 -8.395 1.00 0.80 H new ATOM 0 HD3 LYS A 7 -5.864 10.756 -8.480 1.00 0.80 H new ATOM 0 HE2 LYS A 7 -5.375 12.434 -10.163 1.00 1.47 H new ATOM 0 HE3 LYS A 7 -3.647 12.274 -9.920 1.00 1.47 H new ATOM 0 HZ1 LYS A 7 -4.365 11.111 -11.899 1.00 1.95 H new ATOM 0 HZ2 LYS A 7 -3.767 10.003 -10.759 1.00 1.95 H new ATOM 0 HZ3 LYS A 7 -5.441 10.159 -10.995 1.00 1.95 H new ATOM 108 N ARG A 8 -6.171 13.232 -3.492 1.00 0.92 N ATOM 109 CA ARG A 8 -6.971 13.265 -2.284 1.00 1.01 C ATOM 110 C ARG A 8 -8.279 12.531 -2.513 1.00 1.02 C ATOM 111 O ARG A 8 -9.255 13.122 -2.965 1.00 1.28 O ATOM 112 CB ARG A 8 -7.143 14.715 -1.832 1.00 1.28 C ATOM 113 CG ARG A 8 -7.774 14.757 -0.440 1.00 2.06 C ATOM 114 CD ARG A 8 -7.562 16.106 0.242 1.00 2.11 C ATOM 115 NE ARG A 8 -8.454 17.134 -0.314 1.00 2.46 N ATOM 116 CZ ARG A 8 -8.177 17.982 -1.314 1.00 2.48 C ATOM 117 NH1 ARG A 8 -9.116 18.827 -1.740 1.00 3.01 N ATOM 118 NH2 ARG A 8 -6.972 17.991 -1.888 1.00 2.91 N ATOM 0 H ARG A 8 -6.311 14.031 -4.110 1.00 0.92 H new ATOM 0 HA ARG A 8 -6.471 12.742 -1.469 1.00 1.01 H new ATOM 0 HB2 ARG A 8 -6.176 15.217 -1.817 1.00 1.28 H new ATOM 0 HB3 ARG A 8 -7.771 15.254 -2.541 1.00 1.28 H new ATOM 0 HG2 ARG A 8 -8.842 14.555 -0.520 1.00 2.06 H new ATOM 0 HG3 ARG A 8 -7.345 13.967 0.177 1.00 2.06 H new ATOM 0 HD2 ARG A 8 -7.742 16.006 1.312 1.00 2.11 H new ATOM 0 HD3 ARG A 8 -6.525 16.418 0.121 1.00 2.11 H new ATOM 0 HE ARG A 8 -9.381 17.210 0.105 1.00 2.46 H new ATOM 0 HH11 ARG A 8 -10.039 18.825 -1.305 1.00 3.01 H new ATOM 0 HH12 ARG A 8 -8.912 19.475 -2.501 1.00 3.01 H new ATOM 0 HH21 ARG A 8 -6.249 17.347 -1.566 1.00 2.91 H new ATOM 0 HH22 ARG A 8 -6.774 18.642 -2.648 1.00 2.91 H new ATOM 132 N ALA A 9 -8.266 11.233 -2.224 1.00 0.84 N ATOM 133 CA ALA A 9 -9.393 10.325 -2.357 1.00 0.90 C ATOM 134 C ALA A 9 -9.043 9.029 -1.616 1.00 0.85 C ATOM 135 O ALA A 9 -7.959 8.922 -1.034 1.00 0.94 O ATOM 136 CB ALA A 9 -9.657 10.066 -3.845 1.00 0.93 C ATOM 0 H ALA A 9 -7.429 10.767 -1.875 1.00 0.84 H new ATOM 0 HA ALA A 9 -10.300 10.749 -1.926 1.00 0.90 H new ATOM 0 HB1 ALA A 9 -10.502 9.385 -3.952 1.00 0.93 H new ATOM 0 HB2 ALA A 9 -9.885 11.008 -4.343 1.00 0.93 H new ATOM 0 HB3 ALA A 9 -8.772 9.620 -4.299 1.00 0.93 H new ATOM 142 N ASP A 10 -9.936 8.037 -1.637 1.00 0.83 N ATOM 143 CA ASP A 10 -9.609 6.692 -1.182 1.00 0.84 C ATOM 144 C ASP A 10 -8.697 6.029 -2.209 1.00 0.66 C ATOM 145 O ASP A 10 -8.922 6.145 -3.417 1.00 0.70 O ATOM 146 CB ASP A 10 -10.866 5.827 -1.041 1.00 1.09 C ATOM 147 CG ASP A 10 -11.744 6.256 0.128 1.00 1.89 C ATOM 148 OD1 ASP A 10 -11.475 5.773 1.252 1.00 3.01 O ATOM 149 OD2 ASP A 10 -12.680 7.043 -0.129 1.00 2.59 O ATOM 0 H ASP A 10 -10.895 8.145 -1.967 1.00 0.83 H new ATOM 0 HA ASP A 10 -9.123 6.775 -0.210 1.00 0.84 H new ATOM 0 HB2 ASP A 10 -11.444 5.880 -1.963 1.00 1.09 H new ATOM 0 HB3 ASP A 10 -10.573 4.786 -0.908 1.00 1.09 H new ATOM 154 N ILE A 11 -7.700 5.273 -1.742 1.00 0.64 N ATOM 155 CA ILE A 11 -6.902 4.446 -2.630 1.00 0.65 C ATOM 156 C ILE A 11 -7.791 3.293 -3.117 1.00 0.85 C ATOM 157 O ILE A 11 -7.966 2.280 -2.445 1.00 1.16 O ATOM 158 CB ILE A 11 -5.591 4.027 -1.931 1.00 0.67 C ATOM 159 CG1 ILE A 11 -4.491 3.652 -2.942 1.00 0.87 C ATOM 160 CG2 ILE A 11 -5.753 2.945 -0.854 1.00 0.94 C ATOM 161 CD1 ILE A 11 -4.904 2.646 -4.022 1.00 0.70 C ATOM 0 H ILE A 11 -7.433 5.221 -0.759 1.00 0.64 H new ATOM 0 HA ILE A 11 -6.570 4.984 -3.518 1.00 0.65 H new ATOM 0 HB ILE A 11 -5.273 4.920 -1.393 1.00 0.67 H new ATOM 0 HG12 ILE A 11 -4.145 4.563 -3.431 1.00 0.87 H new ATOM 0 HG13 ILE A 11 -3.642 3.243 -2.394 1.00 0.87 H new ATOM 0 HG21 ILE A 11 -4.780 2.716 -0.419 1.00 0.94 H new ATOM 0 HG22 ILE A 11 -6.423 3.306 -0.074 1.00 0.94 H new ATOM 0 HG23 ILE A 11 -6.171 2.044 -1.303 1.00 0.94 H new ATOM 0 HD11 ILE A 11 -4.058 2.451 -4.681 1.00 0.70 H new ATOM 0 HD12 ILE A 11 -5.219 1.715 -3.551 1.00 0.70 H new ATOM 0 HD13 ILE A 11 -5.730 3.055 -4.604 1.00 0.70 H new ATOM 173 N ALA A 12 -8.415 3.483 -4.279 1.00 0.88 N ATOM 174 CA ALA A 12 -9.140 2.448 -5.000 1.00 1.20 C ATOM 175 C ALA A 12 -9.486 2.965 -6.381 1.00 1.20 C ATOM 176 O ALA A 12 -9.140 2.369 -7.396 1.00 1.62 O ATOM 177 CB ALA A 12 -10.440 2.086 -4.275 1.00 1.35 C ATOM 0 H ALA A 12 -8.428 4.386 -4.754 1.00 0.88 H new ATOM 0 HA ALA A 12 -8.511 1.560 -5.062 1.00 1.20 H new ATOM 0 HB1 ALA A 12 -10.964 1.310 -4.833 1.00 1.35 H new ATOM 0 HB2 ALA A 12 -10.209 1.720 -3.275 1.00 1.35 H new ATOM 0 HB3 ALA A 12 -11.073 2.970 -4.200 1.00 1.35 H new ATOM 183 N THR A 13 -10.186 4.098 -6.419 1.00 0.94 N ATOM 184 CA THR A 13 -10.703 4.668 -7.651 1.00 1.00 C ATOM 185 C THR A 13 -9.637 5.550 -8.305 1.00 0.91 C ATOM 186 O THR A 13 -9.942 6.633 -8.800 1.00 1.19 O ATOM 187 CB THR A 13 -12.023 5.387 -7.329 1.00 1.15 C ATOM 188 OG1 THR A 13 -12.655 5.822 -8.507 1.00 1.59 O ATOM 189 CG2 THR A 13 -11.902 6.555 -6.341 1.00 1.14 C ATOM 0 H THR A 13 -10.409 4.646 -5.588 1.00 0.94 H new ATOM 0 HA THR A 13 -10.931 3.902 -8.392 1.00 1.00 H new ATOM 0 HB THR A 13 -12.631 4.635 -6.826 1.00 1.15 H new ATOM 0 HG1 THR A 13 -12.001 6.272 -9.082 1.00 1.59 H new ATOM 0 HG21 THR A 13 -12.885 6.997 -6.178 1.00 1.14 H new ATOM 0 HG22 THR A 13 -11.507 6.190 -5.393 1.00 1.14 H new ATOM 0 HG23 THR A 13 -11.228 7.308 -6.749 1.00 1.14 H new ATOM 197 N ALA A 14 -8.388 5.079 -8.332 1.00 0.78 N ATOM 198 CA ALA A 14 -7.255 5.824 -8.854 1.00 0.77 C ATOM 199 C ALA A 14 -7.159 5.751 -10.380 1.00 0.98 C ATOM 200 O ALA A 14 -6.270 6.376 -10.942 1.00 2.70 O ATOM 201 CB ALA A 14 -5.976 5.275 -8.220 1.00 0.88 C ATOM 0 H ALA A 14 -8.138 4.153 -7.984 1.00 0.78 H new ATOM 0 HA ALA A 14 -7.391 6.875 -8.599 1.00 0.77 H new ATOM 0 HB1 ALA A 14 -5.116 5.824 -8.602 1.00 0.88 H new ATOM 0 HB2 ALA A 14 -6.028 5.390 -7.137 1.00 0.88 H new ATOM 0 HB3 ALA A 14 -5.871 4.219 -8.468 1.00 0.88 H new ATOM 207 N ILE A 15 -8.063 5.004 -11.035 1.00 1.08 N ATOM 208 CA ILE A 15 -8.101 4.696 -12.464 1.00 1.23 C ATOM 209 C ILE A 15 -6.702 4.468 -13.051 1.00 1.01 C ATOM 210 O ILE A 15 -6.427 4.823 -14.194 1.00 1.10 O ATOM 211 CB ILE A 15 -8.941 5.735 -13.234 1.00 1.73 C ATOM 212 CG1 ILE A 15 -8.383 7.166 -13.134 1.00 1.92 C ATOM 213 CG2 ILE A 15 -10.413 5.664 -12.802 1.00 2.05 C ATOM 214 CD1 ILE A 15 -8.930 8.018 -11.983 1.00 3.27 C ATOM 0 H ILE A 15 -8.841 4.570 -10.538 1.00 1.08 H new ATOM 0 HA ILE A 15 -8.611 3.741 -12.588 1.00 1.23 H new ATOM 0 HB ILE A 15 -8.877 5.473 -14.290 1.00 1.73 H new ATOM 0 HG12 ILE A 15 -7.299 7.107 -13.033 1.00 1.92 H new ATOM 0 HG13 ILE A 15 -8.588 7.682 -14.072 1.00 1.92 H new ATOM 0 HG21 ILE A 15 -10.991 6.404 -13.356 1.00 2.05 H new ATOM 0 HG22 ILE A 15 -10.805 4.668 -13.009 1.00 2.05 H new ATOM 0 HG23 ILE A 15 -10.489 5.869 -11.734 1.00 2.05 H new ATOM 0 HD11 ILE A 15 -8.468 9.005 -12.010 1.00 3.27 H new ATOM 0 HD12 ILE A 15 -10.010 8.120 -12.087 1.00 3.27 H new ATOM 0 HD13 ILE A 15 -8.701 7.536 -11.033 1.00 3.27 H new ATOM 226 N GLU A 16 -5.838 3.832 -12.263 1.00 0.87 N ATOM 227 CA GLU A 16 -4.474 3.505 -12.640 1.00 0.72 C ATOM 228 C GLU A 16 -4.421 2.023 -13.049 1.00 0.62 C ATOM 229 O GLU A 16 -5.366 1.281 -12.779 1.00 0.70 O ATOM 230 CB GLU A 16 -3.552 3.820 -11.445 1.00 0.73 C ATOM 231 CG GLU A 16 -2.510 4.909 -11.747 1.00 0.88 C ATOM 232 CD GLU A 16 -2.897 6.350 -11.380 1.00 1.17 C ATOM 233 OE1 GLU A 16 -3.112 7.170 -12.302 1.00 2.81 O ATOM 234 OE2 GLU A 16 -2.815 6.678 -10.172 1.00 1.46 O ATOM 0 H GLU A 16 -6.078 3.524 -11.321 1.00 0.87 H new ATOM 0 HA GLU A 16 -4.135 4.096 -13.491 1.00 0.72 H new ATOM 0 HB2 GLU A 16 -4.162 4.136 -10.599 1.00 0.73 H new ATOM 0 HB3 GLU A 16 -3.036 2.908 -11.143 1.00 0.73 H new ATOM 0 HG2 GLU A 16 -1.591 4.658 -11.218 1.00 0.88 H new ATOM 0 HG3 GLU A 16 -2.283 4.878 -12.813 1.00 0.88 H new ATOM 241 N ASP A 17 -3.328 1.575 -13.682 1.00 0.52 N ATOM 242 CA ASP A 17 -3.180 0.183 -14.136 1.00 0.50 C ATOM 243 C ASP A 17 -3.254 -0.760 -12.942 1.00 0.45 C ATOM 244 O ASP A 17 -3.792 -1.868 -13.010 1.00 0.53 O ATOM 245 CB ASP A 17 -1.805 -0.071 -14.770 1.00 0.52 C ATOM 246 CG ASP A 17 -1.464 0.817 -15.958 1.00 0.86 C ATOM 247 OD1 ASP A 17 -2.192 0.738 -16.968 1.00 1.56 O ATOM 248 OD2 ASP A 17 -0.452 1.551 -15.839 1.00 1.88 O ATOM 0 H ASP A 17 -2.523 2.165 -13.894 1.00 0.52 H new ATOM 0 HA ASP A 17 -3.976 0.011 -14.860 1.00 0.50 H new ATOM 0 HB2 ASP A 17 -1.040 0.063 -14.005 1.00 0.52 H new ATOM 0 HB3 ASP A 17 -1.757 -1.112 -15.090 1.00 0.52 H new ATOM 253 N ALA A 18 -2.615 -0.323 -11.859 1.00 0.44 N ATOM 254 CA ALA A 18 -2.491 -1.084 -10.644 1.00 0.34 C ATOM 255 C ALA A 18 -2.877 -0.219 -9.465 1.00 0.27 C ATOM 256 O ALA A 18 -2.836 1.011 -9.494 1.00 0.31 O ATOM 257 CB ALA A 18 -1.065 -1.617 -10.479 1.00 0.37 C ATOM 0 H ALA A 18 -2.164 0.591 -11.813 1.00 0.44 H new ATOM 0 HA ALA A 18 -3.163 -1.941 -10.693 1.00 0.34 H new ATOM 0 HB1 ALA A 18 -0.995 -2.189 -9.554 1.00 0.37 H new ATOM 0 HB2 ALA A 18 -0.817 -2.261 -11.323 1.00 0.37 H new ATOM 0 HB3 ALA A 18 -0.366 -0.781 -10.443 1.00 0.37 H new ATOM 263 N VAL A 19 -3.221 -0.907 -8.392 1.00 0.29 N ATOM 264 CA VAL A 19 -3.766 -0.333 -7.188 1.00 0.29 C ATOM 265 C VAL A 19 -3.035 -1.059 -6.081 1.00 0.26 C ATOM 266 O VAL A 19 -2.887 -2.270 -6.178 1.00 0.57 O ATOM 267 CB VAL A 19 -5.278 -0.617 -7.196 1.00 0.57 C ATOM 268 CG1 VAL A 19 -5.977 -0.163 -5.916 1.00 0.62 C ATOM 269 CG2 VAL A 19 -5.918 0.090 -8.395 1.00 1.00 C ATOM 0 H VAL A 19 -3.122 -1.921 -8.339 1.00 0.29 H new ATOM 0 HA VAL A 19 -3.643 0.744 -7.078 1.00 0.29 H new ATOM 0 HB VAL A 19 -5.401 -1.698 -7.265 1.00 0.57 H new ATOM 0 HG11 VAL A 19 -7.041 -0.390 -5.982 1.00 0.62 H new ATOM 0 HG12 VAL A 19 -5.547 -0.685 -5.062 1.00 0.62 H new ATOM 0 HG13 VAL A 19 -5.843 0.911 -5.790 1.00 0.62 H new ATOM 0 HG21 VAL A 19 -6.990 -0.108 -8.405 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -5.749 1.164 -8.317 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -5.472 -0.282 -9.317 1.00 1.00 H new ATOM 279 N VAL A 20 -2.555 -0.370 -5.053 1.00 0.25 N ATOM 280 CA VAL A 20 -1.933 -1.039 -3.925 1.00 0.25 C ATOM 281 C VAL A 20 -2.776 -0.694 -2.709 1.00 0.25 C ATOM 282 O VAL A 20 -3.194 0.453 -2.572 1.00 0.38 O ATOM 283 CB VAL A 20 -0.475 -0.583 -3.755 1.00 0.32 C ATOM 284 CG1 VAL A 20 0.196 -1.322 -2.591 1.00 1.12 C ATOM 285 CG2 VAL A 20 0.380 -0.788 -5.014 1.00 1.08 C ATOM 0 H VAL A 20 -2.586 0.647 -4.980 1.00 0.25 H new ATOM 0 HA VAL A 20 -1.895 -2.118 -4.072 1.00 0.25 H new ATOM 0 HB VAL A 20 -0.529 0.487 -3.554 1.00 0.32 H new ATOM 0 HG11 VAL A 20 1.227 -0.982 -2.490 1.00 1.12 H new ATOM 0 HG12 VAL A 20 -0.346 -1.115 -1.668 1.00 1.12 H new ATOM 0 HG13 VAL A 20 0.185 -2.394 -2.786 1.00 1.12 H new ATOM 0 HG21 VAL A 20 1.397 -0.445 -4.823 1.00 1.08 H new ATOM 0 HG22 VAL A 20 0.397 -1.846 -5.274 1.00 1.08 H new ATOM 0 HG23 VAL A 20 -0.046 -0.218 -5.840 1.00 1.08 H new ATOM 295 N ASN A 21 -3.002 -1.650 -1.806 1.00 0.24 N ATOM 296 CA ASN A 21 -3.652 -1.344 -0.539 1.00 0.35 C ATOM 297 C ASN A 21 -2.760 -1.743 0.615 1.00 0.36 C ATOM 298 O ASN A 21 -1.982 -2.687 0.502 1.00 0.45 O ATOM 299 CB ASN A 21 -5.031 -2.004 -0.419 1.00 0.65 C ATOM 300 CG ASN A 21 -6.087 -0.952 -0.700 1.00 1.55 C ATOM 301 OD1 ASN A 21 -6.233 -0.543 -1.838 1.00 2.57 O ATOM 302 ND2 ASN A 21 -6.793 -0.442 0.303 1.00 2.62 N ATOM 0 H ASN A 21 -2.747 -2.630 -1.929 1.00 0.24 H new ATOM 0 HA ASN A 21 -3.815 -0.267 -0.505 1.00 0.35 H new ATOM 0 HB2 ASN A 21 -5.120 -2.830 -1.125 1.00 0.65 H new ATOM 0 HB3 ASN A 21 -5.167 -2.422 0.579 1.00 0.65 H new ATOM 0 HD21 ASN A 21 -7.468 0.302 0.125 1.00 2.62 H new ATOM 0 HD22 ASN A 21 -6.660 -0.794 1.251 1.00 2.62 H new ATOM 309 N ALA A 22 -2.929 -1.042 1.740 1.00 0.48 N ATOM 310 CA ALA A 22 -2.389 -1.454 3.021 1.00 0.54 C ATOM 311 C ALA A 22 -3.219 -2.634 3.519 1.00 0.47 C ATOM 312 O ALA A 22 -4.060 -2.491 4.405 1.00 0.75 O ATOM 313 CB ALA A 22 -2.441 -0.273 3.997 1.00 0.70 C ATOM 0 H ALA A 22 -3.450 -0.166 1.778 1.00 0.48 H new ATOM 0 HA ALA A 22 -1.347 -1.763 2.934 1.00 0.54 H new ATOM 0 HB1 ALA A 22 -2.036 -0.580 4.961 1.00 0.70 H new ATOM 0 HB2 ALA A 22 -1.850 0.553 3.601 1.00 0.70 H new ATOM 0 HB3 ALA A 22 -3.475 0.049 4.124 1.00 0.70 H new ATOM 319 N ALA A 23 -3.021 -3.798 2.909 1.00 0.44 N ATOM 320 CA ALA A 23 -3.734 -4.993 3.299 1.00 0.49 C ATOM 321 C ALA A 23 -3.140 -5.465 4.622 1.00 0.61 C ATOM 322 O ALA A 23 -1.926 -5.544 4.768 1.00 1.21 O ATOM 323 CB ALA A 23 -3.582 -6.047 2.201 1.00 0.64 C ATOM 0 H ALA A 23 -2.366 -3.932 2.138 1.00 0.44 H new ATOM 0 HA ALA A 23 -4.800 -4.807 3.429 1.00 0.49 H new ATOM 0 HB1 ALA A 23 -4.118 -6.952 2.489 1.00 0.64 H new ATOM 0 HB2 ALA A 23 -3.994 -5.662 1.268 1.00 0.64 H new ATOM 0 HB3 ALA A 23 -2.526 -6.279 2.063 1.00 0.64 H new ATOM 329 N ASN A 24 -3.968 -5.785 5.611 1.00 0.56 N ATOM 330 CA ASN A 24 -3.443 -6.452 6.793 1.00 0.72 C ATOM 331 C ASN A 24 -3.263 -7.928 6.443 1.00 1.14 C ATOM 332 O ASN A 24 -3.884 -8.423 5.502 1.00 2.93 O ATOM 333 CB ASN A 24 -4.405 -6.254 7.961 1.00 0.95 C ATOM 334 CG ASN A 24 -3.746 -6.366 9.330 1.00 2.56 C ATOM 335 OD1 ASN A 24 -2.828 -7.151 9.535 1.00 4.11 O ATOM 336 ND2 ASN A 24 -4.213 -5.584 10.292 1.00 2.97 N ATOM 0 H ASN A 24 -4.971 -5.601 5.620 1.00 0.56 H new ATOM 0 HA ASN A 24 -2.482 -6.036 7.097 1.00 0.72 H new ATOM 0 HB2 ASN A 24 -4.871 -5.273 7.872 1.00 0.95 H new ATOM 0 HB3 ASN A 24 -5.203 -6.993 7.891 1.00 0.95 H new ATOM 0 HD21 ASN A 24 -3.807 -5.628 11.227 1.00 2.97 H new ATOM 0 HD22 ASN A 24 -4.978 -4.938 10.098 1.00 2.97 H new ATOM 343 N HIS A 25 -2.458 -8.650 7.219 1.00 0.82 N ATOM 344 CA HIS A 25 -1.965 -9.983 6.896 1.00 0.67 C ATOM 345 C HIS A 25 -3.050 -11.076 6.783 1.00 0.80 C ATOM 346 O HIS A 25 -2.721 -12.239 6.557 1.00 1.68 O ATOM 347 CB HIS A 25 -0.896 -10.362 7.934 1.00 1.11 C ATOM 348 CG HIS A 25 -1.442 -10.742 9.289 1.00 1.15 C ATOM 349 ND1 HIS A 25 -2.018 -9.900 10.216 1.00 2.47 N ATOM 350 CD2 HIS A 25 -1.425 -12.001 9.822 1.00 2.02 C ATOM 351 CE1 HIS A 25 -2.348 -10.647 11.284 1.00 3.44 C ATOM 352 NE2 HIS A 25 -2.027 -11.938 11.086 1.00 3.22 N ATOM 0 H HIS A 25 -2.121 -8.310 8.120 1.00 0.82 H new ATOM 0 HA HIS A 25 -1.544 -9.935 5.892 1.00 0.67 H new ATOM 0 HB2 HIS A 25 -0.311 -11.196 7.546 1.00 1.11 H new ATOM 0 HB3 HIS A 25 -0.212 -9.522 8.055 1.00 1.11 H new ATOM 0 HD1 HIS A 25 -2.166 -8.896 10.111 1.00 2.47 H new ATOM 0 HD2 HIS A 25 -1.020 -12.886 9.353 1.00 2.02 H new ATOM 0 HE1 HIS A 25 -2.809 -10.262 12.181 1.00 3.44 H new ATOM 360 N ARG A 26 -4.342 -10.747 6.924 1.00 1.05 N ATOM 361 CA ARG A 26 -5.444 -11.708 6.924 1.00 1.35 C ATOM 362 C ARG A 26 -6.577 -11.279 5.984 1.00 1.59 C ATOM 363 O ARG A 26 -7.718 -11.187 6.424 1.00 2.64 O ATOM 364 CB ARG A 26 -6.014 -11.846 8.343 1.00 1.75 C ATOM 365 CG ARG A 26 -5.108 -12.555 9.356 1.00 2.20 C ATOM 366 CD ARG A 26 -6.035 -13.237 10.369 1.00 2.73 C ATOM 367 NE ARG A 26 -5.317 -13.902 11.465 1.00 3.43 N ATOM 368 CZ ARG A 26 -5.879 -14.808 12.280 1.00 3.98 C ATOM 369 NH1 ARG A 26 -5.185 -15.328 13.293 1.00 4.73 N ATOM 370 NH2 ARG A 26 -7.143 -15.196 12.087 1.00 4.19 N ATOM 0 H ARG A 26 -4.652 -9.783 7.044 1.00 1.05 H new ATOM 0 HA ARG A 26 -5.044 -12.660 6.574 1.00 1.35 H new ATOM 0 HB2 ARG A 26 -6.242 -10.850 8.722 1.00 1.75 H new ATOM 0 HB3 ARG A 26 -6.958 -12.389 8.285 1.00 1.75 H new ATOM 0 HG2 ARG A 26 -4.470 -13.287 8.860 1.00 2.20 H new ATOM 0 HG3 ARG A 26 -4.449 -11.842 9.852 1.00 2.20 H new ATOM 0 HD2 ARG A 26 -6.713 -12.493 10.788 1.00 2.73 H new ATOM 0 HD3 ARG A 26 -6.650 -13.972 9.850 1.00 2.73 H new ATOM 0 HE ARG A 26 -4.337 -13.662 11.615 1.00 3.43 H new ATOM 0 HH11 ARG A 26 -4.220 -15.038 13.453 1.00 4.73 H new ATOM 0 HH12 ARG A 26 -5.619 -16.016 13.908 1.00 4.73 H new ATOM 0 HH21 ARG A 26 -7.685 -14.803 11.317 1.00 4.19 H new ATOM 0 HH22 ARG A 26 -7.566 -15.885 12.709 1.00 4.19 H new ATOM 384 N GLY A 27 -6.304 -11.029 4.700 1.00 0.99 N ATOM 385 CA GLY A 27 -7.364 -10.781 3.716 1.00 1.18 C ATOM 386 C GLY A 27 -8.346 -9.705 4.178 1.00 1.48 C ATOM 387 O GLY A 27 -9.556 -9.840 4.027 1.00 2.31 O ATOM 0 H GLY A 27 -5.359 -10.993 4.317 1.00 0.99 H new ATOM 0 HA2 GLY A 27 -6.915 -10.477 2.770 1.00 1.18 H new ATOM 0 HA3 GLY A 27 -7.906 -11.708 3.528 1.00 1.18 H new ATOM 391 N GLN A 28 -7.795 -8.655 4.781 1.00 2.03 N ATOM 392 CA GLN A 28 -8.531 -7.618 5.486 1.00 3.14 C ATOM 393 C GLN A 28 -9.617 -6.974 4.597 1.00 2.38 C ATOM 394 O GLN A 28 -9.340 -6.601 3.458 1.00 2.91 O ATOM 395 CB GLN A 28 -7.489 -6.608 5.999 1.00 4.98 C ATOM 396 CG GLN A 28 -7.810 -6.099 7.406 1.00 6.41 C ATOM 397 CD GLN A 28 -9.087 -5.292 7.422 1.00 7.41 C ATOM 398 OE1 GLN A 28 -9.447 -4.709 6.411 1.00 8.06 O ATOM 399 NE2 GLN A 28 -9.795 -5.262 8.542 1.00 8.09 N ATOM 0 H GLN A 28 -6.787 -8.500 4.790 1.00 2.03 H new ATOM 0 HA GLN A 28 -9.086 -8.034 6.327 1.00 3.14 H new ATOM 0 HB2 GLN A 28 -6.505 -7.076 6.001 1.00 4.98 H new ATOM 0 HB3 GLN A 28 -7.439 -5.763 5.313 1.00 4.98 H new ATOM 0 HG2 GLN A 28 -7.903 -6.944 8.088 1.00 6.41 H new ATOM 0 HG3 GLN A 28 -6.986 -5.486 7.770 1.00 6.41 H new ATOM 0 HE21 GLN A 28 -9.464 -5.761 9.368 1.00 8.09 H new ATOM 0 HE22 GLN A 28 -10.671 -4.740 8.578 1.00 8.09 H new ATOM 408 N VAL A 29 -10.852 -6.841 5.110 1.00 2.17 N ATOM 409 CA VAL A 29 -12.005 -6.387 4.329 1.00 1.86 C ATOM 410 C VAL A 29 -12.980 -5.527 5.171 1.00 2.35 C ATOM 411 O VAL A 29 -14.183 -5.452 4.909 1.00 3.43 O ATOM 412 CB VAL A 29 -12.626 -7.638 3.665 1.00 2.24 C ATOM 413 CG1 VAL A 29 -13.160 -8.648 4.690 1.00 3.10 C ATOM 414 CG2 VAL A 29 -13.713 -7.324 2.630 1.00 2.81 C ATOM 0 H VAL A 29 -11.075 -7.048 6.084 1.00 2.17 H new ATOM 0 HA VAL A 29 -11.707 -5.699 3.538 1.00 1.86 H new ATOM 0 HB VAL A 29 -11.792 -8.091 3.128 1.00 2.24 H new ATOM 0 HG11 VAL A 29 -13.584 -9.506 4.168 1.00 3.10 H new ATOM 0 HG12 VAL A 29 -12.344 -8.981 5.332 1.00 3.10 H new ATOM 0 HG13 VAL A 29 -13.931 -8.176 5.299 1.00 3.10 H new ATOM 0 HG21 VAL A 29 -14.097 -8.255 2.212 1.00 2.81 H new ATOM 0 HG22 VAL A 29 -14.526 -6.779 3.110 1.00 2.81 H new ATOM 0 HG23 VAL A 29 -13.290 -6.715 1.831 1.00 2.81 H new ATOM 424 N GLY A 30 -12.475 -4.798 6.169 1.00 2.29 N ATOM 425 CA GLY A 30 -13.268 -3.814 6.899 1.00 3.07 C ATOM 426 C GLY A 30 -12.366 -2.794 7.585 1.00 2.40 C ATOM 427 O GLY A 30 -11.154 -2.966 7.590 1.00 2.45 O ATOM 0 H GLY A 30 -11.510 -4.875 6.490 1.00 2.29 H new ATOM 0 HA2 GLY A 30 -13.945 -3.305 6.213 1.00 3.07 H new ATOM 0 HA3 GLY A 30 -13.886 -4.317 7.642 1.00 3.07 H new ATOM 431 N ASP A 31 -12.943 -1.758 8.197 1.00 3.16 N ATOM 432 CA ASP A 31 -12.190 -0.698 8.871 1.00 2.92 C ATOM 433 C ASP A 31 -11.317 0.126 7.912 1.00 2.58 C ATOM 434 O ASP A 31 -11.234 -0.143 6.715 1.00 3.20 O ATOM 435 CB ASP A 31 -11.389 -1.252 10.070 1.00 3.27 C ATOM 436 CG ASP A 31 -12.219 -1.168 11.340 1.00 4.09 C ATOM 437 OD1 ASP A 31 -12.579 -2.241 11.871 1.00 4.92 O ATOM 438 OD2 ASP A 31 -12.498 -0.013 11.730 1.00 4.67 O ATOM 0 H ASP A 31 -13.954 -1.630 8.239 1.00 3.16 H new ATOM 0 HA ASP A 31 -12.925 0.003 9.267 1.00 2.92 H new ATOM 0 HB2 ASP A 31 -11.106 -2.287 9.880 1.00 3.27 H new ATOM 0 HB3 ASP A 31 -10.466 -0.686 10.192 1.00 3.27 H new ATOM 443 N GLY A 32 -10.688 1.173 8.461 1.00 2.52 N ATOM 444 CA GLY A 32 -9.670 1.996 7.817 1.00 2.36 C ATOM 445 C GLY A 32 -9.983 2.358 6.363 1.00 1.97 C ATOM 446 O GLY A 32 -10.850 3.195 6.096 1.00 2.71 O ATOM 0 H GLY A 32 -10.889 1.480 9.413 1.00 2.52 H new ATOM 0 HA2 GLY A 32 -9.546 2.915 8.390 1.00 2.36 H new ATOM 0 HA3 GLY A 32 -8.717 1.468 7.851 1.00 2.36 H new ATOM 450 N VAL A 33 -9.219 1.783 5.429 1.00 1.65 N ATOM 451 CA VAL A 33 -9.395 1.979 3.999 1.00 1.48 C ATOM 452 C VAL A 33 -9.037 0.683 3.276 1.00 1.43 C ATOM 453 O VAL A 33 -7.874 0.341 3.064 1.00 2.50 O ATOM 454 CB VAL A 33 -8.601 3.198 3.506 1.00 1.91 C ATOM 455 CG1 VAL A 33 -7.146 3.234 4.000 1.00 2.46 C ATOM 456 CG2 VAL A 33 -8.645 3.311 1.977 1.00 2.76 C ATOM 0 H VAL A 33 -8.447 1.157 5.658 1.00 1.65 H new ATOM 0 HA VAL A 33 -10.437 2.206 3.773 1.00 1.48 H new ATOM 0 HB VAL A 33 -9.099 4.062 3.946 1.00 1.91 H new ATOM 0 HG11 VAL A 33 -6.651 4.124 3.610 1.00 2.46 H new ATOM 0 HG12 VAL A 33 -7.132 3.259 5.090 1.00 2.46 H new ATOM 0 HG13 VAL A 33 -6.621 2.345 3.651 1.00 2.46 H new ATOM 0 HG21 VAL A 33 -8.074 4.184 1.660 1.00 2.76 H new ATOM 0 HG22 VAL A 33 -8.213 2.414 1.533 1.00 2.76 H new ATOM 0 HG23 VAL A 33 -9.679 3.416 1.650 1.00 2.76 H new ATOM 466 N CYS A 34 -10.067 -0.066 2.903 1.00 1.49 N ATOM 467 CA CYS A 34 -9.893 -1.344 2.240 1.00 1.83 C ATOM 468 C CYS A 34 -11.135 -1.616 1.384 1.00 1.65 C ATOM 469 O CYS A 34 -11.030 -1.892 0.190 1.00 1.52 O ATOM 470 CB CYS A 34 -9.581 -2.393 3.321 1.00 2.49 C ATOM 471 SG CYS A 34 -11.002 -2.647 4.409 1.00 4.18 S ATOM 0 H CYS A 34 -11.041 0.197 3.052 1.00 1.49 H new ATOM 0 HA CYS A 34 -9.053 -1.369 1.546 1.00 1.83 H new ATOM 0 HB2 CYS A 34 -9.307 -3.336 2.849 1.00 2.49 H new ATOM 0 HB3 CYS A 34 -8.722 -2.070 3.909 1.00 2.49 H new ATOM 0 HG CYS A 34 -10.586 -2.913 5.612 1.00 4.18 H new ATOM 477 N ARG A 35 -12.330 -1.433 1.960 1.00 1.77 N ATOM 478 CA ARG A 35 -13.598 -1.613 1.262 1.00 1.77 C ATOM 479 C ARG A 35 -13.739 -0.732 0.026 1.00 1.48 C ATOM 480 O ARG A 35 -14.572 -1.034 -0.823 1.00 1.48 O ATOM 481 CB ARG A 35 -14.781 -1.381 2.206 1.00 2.11 C ATOM 482 CG ARG A 35 -14.947 -2.534 3.197 1.00 2.63 C ATOM 483 CD ARG A 35 -16.233 -2.300 3.990 1.00 2.97 C ATOM 484 NE ARG A 35 -16.386 -3.268 5.083 1.00 4.01 N ATOM 485 CZ ARG A 35 -17.278 -3.130 6.073 1.00 4.49 C ATOM 486 NH1 ARG A 35 -17.279 -3.980 7.098 1.00 5.75 N ATOM 487 NH2 ARG A 35 -18.165 -2.131 6.039 1.00 4.25 N ATOM 0 H ARG A 35 -12.439 -1.153 2.935 1.00 1.77 H new ATOM 0 HA ARG A 35 -13.603 -2.647 0.917 1.00 1.77 H new ATOM 0 HB2 ARG A 35 -14.633 -0.450 2.753 1.00 2.11 H new ATOM 0 HB3 ARG A 35 -15.695 -1.267 1.623 1.00 2.11 H new ATOM 0 HG2 ARG A 35 -14.994 -3.486 2.668 1.00 2.63 H new ATOM 0 HG3 ARG A 35 -14.090 -2.585 3.869 1.00 2.63 H new ATOM 0 HD2 ARG A 35 -16.229 -1.289 4.398 1.00 2.97 H new ATOM 0 HD3 ARG A 35 -17.090 -2.370 3.320 1.00 2.97 H new ATOM 0 HE ARG A 35 -15.781 -4.089 5.089 1.00 4.01 H new ATOM 0 HH11 ARG A 35 -16.599 -4.740 7.131 1.00 5.75 H new ATOM 0 HH12 ARG A 35 -17.960 -3.872 7.850 1.00 5.75 H new ATOM 0 HH21 ARG A 35 -18.163 -1.473 5.259 1.00 4.25 H new ATOM 0 HH22 ARG A 35 -18.844 -2.026 6.793 1.00 4.25 H new ATOM 501 N ALA A 36 -12.961 0.346 -0.092 1.00 1.35 N ATOM 502 CA ALA A 36 -12.920 1.138 -1.310 1.00 1.23 C ATOM 503 C ALA A 36 -12.586 0.230 -2.498 1.00 1.08 C ATOM 504 O ALA A 36 -13.310 0.213 -3.493 1.00 1.15 O ATOM 505 CB ALA A 36 -11.910 2.278 -1.141 1.00 1.20 C ATOM 0 H ALA A 36 -12.349 0.687 0.650 1.00 1.35 H new ATOM 0 HA ALA A 36 -13.892 1.589 -1.508 1.00 1.23 H new ATOM 0 HB1 ALA A 36 -11.877 2.873 -2.053 1.00 1.20 H new ATOM 0 HB2 ALA A 36 -12.211 2.910 -0.306 1.00 1.20 H new ATOM 0 HB3 ALA A 36 -10.922 1.862 -0.944 1.00 1.20 H new ATOM 511 N VAL A 37 -11.509 -0.554 -2.386 1.00 0.99 N ATOM 512 CA VAL A 37 -11.178 -1.534 -3.407 1.00 0.98 C ATOM 513 C VAL A 37 -12.206 -2.648 -3.382 1.00 0.96 C ATOM 514 O VAL A 37 -12.691 -3.014 -4.443 1.00 1.00 O ATOM 515 CB VAL A 37 -9.763 -2.089 -3.227 1.00 1.14 C ATOM 516 CG1 VAL A 37 -9.394 -3.088 -4.329 1.00 1.33 C ATOM 517 CG2 VAL A 37 -8.760 -0.947 -3.324 1.00 1.18 C ATOM 0 H VAL A 37 -10.859 -0.524 -1.600 1.00 0.99 H new ATOM 0 HA VAL A 37 -11.200 -1.042 -4.379 1.00 0.98 H new ATOM 0 HB VAL A 37 -9.736 -2.585 -2.257 1.00 1.14 H new ATOM 0 HG11 VAL A 37 -8.382 -3.457 -4.162 1.00 1.33 H new ATOM 0 HG12 VAL A 37 -10.092 -3.925 -4.310 1.00 1.33 H new ATOM 0 HG13 VAL A 37 -9.445 -2.594 -5.299 1.00 1.33 H new ATOM 0 HG21 VAL A 37 -7.750 -1.338 -3.196 1.00 1.18 H new ATOM 0 HG22 VAL A 37 -8.844 -0.471 -4.301 1.00 1.18 H new ATOM 0 HG23 VAL A 37 -8.967 -0.214 -2.544 1.00 1.18 H new ATOM 527 N ALA A 38 -12.561 -3.192 -2.212 1.00 1.01 N ATOM 528 CA ALA A 38 -13.471 -4.336 -2.161 1.00 1.14 C ATOM 529 C ALA A 38 -14.779 -4.078 -2.923 1.00 1.35 C ATOM 530 O ALA A 38 -15.390 -5.013 -3.426 1.00 2.03 O ATOM 531 CB ALA A 38 -13.772 -4.738 -0.715 1.00 1.31 C ATOM 0 H ALA A 38 -12.237 -2.863 -1.303 1.00 1.01 H new ATOM 0 HA ALA A 38 -12.960 -5.161 -2.657 1.00 1.14 H new ATOM 0 HB1 ALA A 38 -14.451 -5.591 -0.708 1.00 1.31 H new ATOM 0 HB2 ALA A 38 -12.844 -5.009 -0.212 1.00 1.31 H new ATOM 0 HB3 ALA A 38 -14.236 -3.901 -0.194 1.00 1.31 H new ATOM 537 N ARG A 39 -15.235 -2.826 -3.003 1.00 1.14 N ATOM 538 CA ARG A 39 -16.441 -2.477 -3.747 1.00 1.33 C ATOM 539 C ARG A 39 -16.229 -2.540 -5.257 1.00 1.37 C ATOM 540 O ARG A 39 -17.162 -2.904 -5.965 1.00 1.79 O ATOM 541 CB ARG A 39 -16.956 -1.105 -3.284 1.00 1.40 C ATOM 542 CG ARG A 39 -17.772 -1.311 -1.998 1.00 1.67 C ATOM 543 CD ARG A 39 -17.737 -0.111 -1.048 1.00 1.74 C ATOM 544 NE ARG A 39 -18.664 0.968 -1.427 1.00 2.20 N ATOM 545 CZ ARG A 39 -18.841 2.077 -0.694 1.00 2.49 C ATOM 546 NH1 ARG A 39 -19.786 2.961 -1.015 1.00 3.09 N ATOM 547 NH2 ARG A 39 -18.068 2.297 0.370 1.00 3.05 N ATOM 0 H ARG A 39 -14.779 -2.031 -2.555 1.00 1.14 H new ATOM 0 HA ARG A 39 -17.207 -3.221 -3.530 1.00 1.33 H new ATOM 0 HB2 ARG A 39 -16.122 -0.427 -3.101 1.00 1.40 H new ATOM 0 HB3 ARG A 39 -17.574 -0.649 -4.058 1.00 1.40 H new ATOM 0 HG2 ARG A 39 -18.808 -1.522 -2.265 1.00 1.67 H new ATOM 0 HG3 ARG A 39 -17.393 -2.189 -1.474 1.00 1.67 H new ATOM 0 HD2 ARG A 39 -17.979 -0.449 -0.040 1.00 1.74 H new ATOM 0 HD3 ARG A 39 -16.723 0.287 -1.016 1.00 1.74 H new ATOM 0 HE ARG A 39 -19.198 0.867 -2.290 1.00 2.20 H new ATOM 0 HH11 ARG A 39 -20.383 2.797 -1.825 1.00 3.09 H new ATOM 0 HH12 ARG A 39 -19.912 3.801 -0.450 1.00 3.09 H new ATOM 0 HH21 ARG A 39 -17.346 1.623 0.624 1.00 3.05 H new ATOM 0 HH22 ARG A 39 -18.199 3.139 0.930 1.00 3.05 H new ATOM 561 N LYS A 40 -15.056 -2.171 -5.777 1.00 1.12 N ATOM 562 CA LYS A 40 -14.784 -2.358 -7.202 1.00 1.19 C ATOM 563 C LYS A 40 -14.483 -3.828 -7.482 1.00 1.03 C ATOM 564 O LYS A 40 -15.149 -4.447 -8.304 1.00 1.19 O ATOM 565 CB LYS A 40 -13.647 -1.444 -7.699 1.00 1.39 C ATOM 566 CG LYS A 40 -14.184 -0.116 -8.251 1.00 1.74 C ATOM 567 CD LYS A 40 -14.453 0.954 -7.187 1.00 1.53 C ATOM 568 CE LYS A 40 -15.349 2.025 -7.824 1.00 2.07 C ATOM 569 NZ LYS A 40 -15.365 3.292 -7.061 1.00 2.69 N ATOM 0 H LYS A 40 -14.294 -1.750 -5.245 1.00 1.12 H new ATOM 0 HA LYS A 40 -15.675 -2.070 -7.759 1.00 1.19 H new ATOM 0 HB2 LYS A 40 -12.956 -1.244 -6.880 1.00 1.39 H new ATOM 0 HB3 LYS A 40 -13.080 -1.958 -8.475 1.00 1.39 H new ATOM 0 HG2 LYS A 40 -13.468 0.279 -8.972 1.00 1.74 H new ATOM 0 HG3 LYS A 40 -15.109 -0.311 -8.794 1.00 1.74 H new ATOM 0 HD2 LYS A 40 -14.940 0.515 -6.317 1.00 1.53 H new ATOM 0 HD3 LYS A 40 -13.518 1.394 -6.841 1.00 1.53 H new ATOM 0 HE2 LYS A 40 -15.004 2.223 -8.839 1.00 2.07 H new ATOM 0 HE3 LYS A 40 -16.366 1.641 -7.902 1.00 2.07 H new ATOM 0 HZ1 LYS A 40 -16.271 3.779 -7.215 1.00 2.69 H new ATOM 0 HZ2 LYS A 40 -15.249 3.089 -6.048 1.00 2.69 H new ATOM 0 HZ3 LYS A 40 -14.586 3.901 -7.383 1.00 2.69 H new ATOM 583 N TRP A 41 -13.485 -4.391 -6.806 1.00 1.05 N ATOM 584 CA TRP A 41 -12.973 -5.725 -7.060 1.00 1.05 C ATOM 585 C TRP A 41 -13.017 -6.556 -5.779 1.00 0.84 C ATOM 586 O TRP A 41 -11.976 -6.838 -5.189 1.00 0.83 O ATOM 587 CB TRP A 41 -11.545 -5.595 -7.591 1.00 1.39 C ATOM 588 CG TRP A 41 -11.428 -4.837 -8.875 1.00 1.55 C ATOM 589 CD1 TRP A 41 -11.873 -5.251 -10.081 1.00 1.84 C ATOM 590 CD2 TRP A 41 -10.854 -3.516 -9.094 1.00 1.55 C ATOM 591 NE1 TRP A 41 -11.592 -4.292 -11.031 1.00 1.99 N ATOM 592 CE2 TRP A 41 -10.946 -3.203 -10.481 1.00 1.79 C ATOM 593 CE3 TRP A 41 -10.251 -2.557 -8.254 1.00 1.54 C ATOM 594 CZ2 TRP A 41 -10.430 -2.010 -11.010 1.00 1.89 C ATOM 595 CZ3 TRP A 41 -9.738 -1.354 -8.771 1.00 1.69 C ATOM 596 CH2 TRP A 41 -9.815 -1.086 -10.148 1.00 1.80 C ATOM 0 H TRP A 41 -13.000 -3.914 -6.046 1.00 1.05 H new ATOM 0 HA TRP A 41 -13.587 -6.237 -7.801 1.00 1.05 H new ATOM 0 HB2 TRP A 41 -10.933 -5.102 -6.836 1.00 1.39 H new ATOM 0 HB3 TRP A 41 -11.132 -6.593 -7.734 1.00 1.39 H new ATOM 0 HD1 TRP A 41 -12.372 -6.189 -10.272 1.00 1.84 H new ATOM 0 HE1 TRP A 41 -11.832 -4.377 -12.019 1.00 1.99 H new ATOM 0 HE3 TRP A 41 -10.182 -2.750 -7.194 1.00 1.54 H new ATOM 0 HZ2 TRP A 41 -10.505 -1.804 -12.068 1.00 1.89 H new ATOM 0 HZ3 TRP A 41 -9.283 -0.634 -8.107 1.00 1.69 H new ATOM 0 HH2 TRP A 41 -9.402 -0.170 -10.544 1.00 1.80 H new ATOM 607 N PRO A 42 -14.197 -7.026 -5.356 1.00 0.83 N ATOM 608 CA PRO A 42 -14.320 -7.841 -4.158 1.00 0.86 C ATOM 609 C PRO A 42 -13.518 -9.131 -4.300 1.00 0.71 C ATOM 610 O PRO A 42 -12.914 -9.597 -3.336 1.00 0.80 O ATOM 611 CB PRO A 42 -15.818 -8.092 -3.963 1.00 1.06 C ATOM 612 CG PRO A 42 -16.439 -7.793 -5.329 1.00 1.07 C ATOM 613 CD PRO A 42 -15.489 -6.786 -5.974 1.00 0.95 C ATOM 0 HA PRO A 42 -13.911 -7.342 -3.280 1.00 0.86 H new ATOM 0 HB2 PRO A 42 -16.011 -9.120 -3.656 1.00 1.06 H new ATOM 0 HB3 PRO A 42 -16.231 -7.445 -3.189 1.00 1.06 H new ATOM 0 HG2 PRO A 42 -16.526 -8.697 -5.931 1.00 1.07 H new ATOM 0 HG3 PRO A 42 -17.443 -7.381 -5.226 1.00 1.07 H new ATOM 0 HD2 PRO A 42 -15.441 -6.927 -7.054 1.00 0.95 H new ATOM 0 HD3 PRO A 42 -15.824 -5.763 -5.801 1.00 0.95 H new ATOM 621 N GLN A 43 -13.477 -9.705 -5.507 1.00 0.62 N ATOM 622 CA GLN A 43 -12.744 -10.938 -5.742 1.00 0.62 C ATOM 623 C GLN A 43 -11.262 -10.785 -5.387 1.00 0.59 C ATOM 624 O GLN A 43 -10.653 -11.744 -4.923 1.00 0.67 O ATOM 625 CB GLN A 43 -12.917 -11.430 -7.185 1.00 0.80 C ATOM 626 CG GLN A 43 -13.237 -12.926 -7.197 1.00 1.03 C ATOM 627 CD GLN A 43 -13.196 -13.489 -8.614 1.00 1.44 C ATOM 628 OE1 GLN A 43 -13.813 -12.951 -9.522 1.00 2.01 O ATOM 629 NE2 GLN A 43 -12.472 -14.578 -8.834 1.00 2.46 N ATOM 0 H GLN A 43 -13.945 -9.330 -6.332 1.00 0.62 H new ATOM 0 HA GLN A 43 -13.167 -11.695 -5.082 1.00 0.62 H new ATOM 0 HB2 GLN A 43 -13.718 -10.875 -7.673 1.00 0.80 H new ATOM 0 HB3 GLN A 43 -12.006 -11.241 -7.753 1.00 0.80 H new ATOM 0 HG2 GLN A 43 -12.521 -13.458 -6.571 1.00 1.03 H new ATOM 0 HG3 GLN A 43 -14.224 -13.093 -6.765 1.00 1.03 H new ATOM 0 HE21 GLN A 43 -11.963 -15.016 -8.066 1.00 2.46 H new ATOM 0 HE22 GLN A 43 -12.424 -14.978 -9.771 1.00 2.46 H new ATOM 638 N ALA A 44 -10.677 -9.595 -5.575 1.00 0.56 N ATOM 639 CA ALA A 44 -9.283 -9.362 -5.221 1.00 0.64 C ATOM 640 C ALA A 44 -9.043 -9.618 -3.737 1.00 0.78 C ATOM 641 O ALA A 44 -7.990 -10.107 -3.354 1.00 0.98 O ATOM 642 CB ALA A 44 -8.861 -7.935 -5.577 1.00 0.64 C ATOM 0 H ALA A 44 -11.152 -8.784 -5.970 1.00 0.56 H new ATOM 0 HA ALA A 44 -8.677 -10.062 -5.797 1.00 0.64 H new ATOM 0 HB1 ALA A 44 -7.817 -7.785 -5.303 1.00 0.64 H new ATOM 0 HB2 ALA A 44 -8.981 -7.777 -6.649 1.00 0.64 H new ATOM 0 HB3 ALA A 44 -9.484 -7.225 -5.033 1.00 0.64 H new ATOM 648 N PHE A 45 -10.005 -9.256 -2.890 1.00 0.83 N ATOM 649 CA PHE A 45 -9.870 -9.388 -1.447 1.00 1.06 C ATOM 650 C PHE A 45 -10.209 -10.804 -0.978 1.00 0.97 C ATOM 651 O PHE A 45 -9.938 -11.172 0.165 1.00 1.13 O ATOM 652 CB PHE A 45 -10.770 -8.344 -0.776 1.00 1.52 C ATOM 653 CG PHE A 45 -10.186 -6.942 -0.708 1.00 1.11 C ATOM 654 CD1 PHE A 45 -9.315 -6.435 -1.696 1.00 0.93 C ATOM 655 CD2 PHE A 45 -10.498 -6.142 0.402 1.00 1.45 C ATOM 656 CE1 PHE A 45 -8.712 -5.176 -1.532 1.00 1.15 C ATOM 657 CE2 PHE A 45 -9.945 -4.864 0.532 1.00 1.45 C ATOM 658 CZ PHE A 45 -9.026 -4.386 -0.416 1.00 1.27 C ATOM 0 H PHE A 45 -10.898 -8.864 -3.188 1.00 0.83 H new ATOM 0 HA PHE A 45 -8.833 -9.211 -1.163 1.00 1.06 H new ATOM 0 HB2 PHE A 45 -11.716 -8.302 -1.315 1.00 1.52 H new ATOM 0 HB3 PHE A 45 -10.995 -8.677 0.237 1.00 1.52 H new ATOM 0 HD1 PHE A 45 -9.111 -7.017 -2.582 1.00 0.93 H new ATOM 0 HD2 PHE A 45 -11.170 -6.516 1.161 1.00 1.45 H new ATOM 0 HE1 PHE A 45 -8.006 -4.816 -2.266 1.00 1.15 H new ATOM 0 HE2 PHE A 45 -10.227 -4.240 1.367 1.00 1.45 H new ATOM 0 HZ PHE A 45 -8.565 -3.418 -0.287 1.00 1.27 H new ATOM 668 N ARG A 46 -10.813 -11.618 -1.842 1.00 0.91 N ATOM 669 CA ARG A 46 -11.303 -12.924 -1.475 1.00 1.14 C ATOM 670 C ARG A 46 -10.086 -13.819 -1.302 1.00 1.10 C ATOM 671 O ARG A 46 -9.336 -14.051 -2.243 1.00 1.82 O ATOM 672 CB ARG A 46 -12.270 -13.420 -2.564 1.00 1.39 C ATOM 673 CG ARG A 46 -13.550 -14.009 -1.970 1.00 1.95 C ATOM 674 CD ARG A 46 -13.293 -15.331 -1.251 1.00 2.71 C ATOM 675 NE ARG A 46 -14.536 -15.852 -0.666 1.00 3.26 N ATOM 676 CZ ARG A 46 -14.748 -17.130 -0.335 1.00 4.13 C ATOM 677 NH1 ARG A 46 -15.952 -17.522 0.086 1.00 4.56 N ATOM 678 NH2 ARG A 46 -13.753 -18.010 -0.428 1.00 5.14 N ATOM 0 H ARG A 46 -10.972 -11.378 -2.821 1.00 0.91 H new ATOM 0 HA ARG A 46 -11.866 -12.918 -0.542 1.00 1.14 H new ATOM 0 HB2 ARG A 46 -12.525 -12.593 -3.226 1.00 1.39 H new ATOM 0 HB3 ARG A 46 -11.773 -14.175 -3.174 1.00 1.39 H new ATOM 0 HG2 ARG A 46 -13.987 -13.296 -1.271 1.00 1.95 H new ATOM 0 HG3 ARG A 46 -14.280 -14.165 -2.764 1.00 1.95 H new ATOM 0 HD2 ARG A 46 -12.882 -16.058 -1.951 1.00 2.71 H new ATOM 0 HD3 ARG A 46 -12.549 -15.186 -0.468 1.00 2.71 H new ATOM 0 HE ARG A 46 -15.294 -15.189 -0.500 1.00 3.26 H new ATOM 0 HH11 ARG A 46 -16.713 -16.846 0.156 1.00 4.56 H new ATOM 0 HH12 ARG A 46 -16.112 -18.497 0.338 1.00 4.56 H new ATOM 0 HH21 ARG A 46 -12.834 -17.708 -0.751 1.00 5.14 H new ATOM 0 HH22 ARG A 46 -13.910 -18.986 -0.177 1.00 5.14 H new ATOM 692 N ASN A 47 -9.899 -14.327 -0.087 1.00 1.68 N ATOM 693 CA ASN A 47 -8.799 -15.204 0.280 1.00 1.75 C ATOM 694 C ASN A 47 -7.428 -14.559 0.030 1.00 1.54 C ATOM 695 O ASN A 47 -6.475 -15.247 -0.331 1.00 1.81 O ATOM 696 CB ASN A 47 -8.920 -16.574 -0.420 1.00 2.22 C ATOM 697 CG ASN A 47 -10.213 -17.340 -0.148 1.00 3.05 C ATOM 698 OD1 ASN A 47 -11.133 -16.877 0.517 1.00 3.65 O ATOM 699 ND2 ASN A 47 -10.329 -18.545 -0.692 1.00 3.60 N ATOM 0 H ASN A 47 -10.530 -14.132 0.691 1.00 1.68 H new ATOM 0 HA ASN A 47 -8.870 -15.372 1.355 1.00 1.75 H new ATOM 0 HB2 ASN A 47 -8.828 -16.422 -1.495 1.00 2.22 H new ATOM 0 HB3 ASN A 47 -8.079 -17.195 -0.112 1.00 2.22 H new ATOM 0 HD21 ASN A 47 -11.183 -19.086 -0.557 1.00 3.60 H new ATOM 0 HD22 ASN A 47 -9.564 -18.931 -1.245 1.00 3.60 H new ATOM 706 N ALA A 48 -7.282 -13.252 0.272 1.00 1.18 N ATOM 707 CA ALA A 48 -6.058 -12.536 -0.070 1.00 1.16 C ATOM 708 C ALA A 48 -5.238 -12.266 1.182 1.00 1.24 C ATOM 709 O ALA A 48 -4.991 -11.124 1.564 1.00 2.21 O ATOM 710 CB ALA A 48 -6.404 -11.253 -0.810 1.00 1.06 C ATOM 0 H ALA A 48 -8.000 -12.671 0.704 1.00 1.18 H new ATOM 0 HA ALA A 48 -5.447 -13.150 -0.732 1.00 1.16 H new ATOM 0 HB1 ALA A 48 -5.487 -10.721 -1.064 1.00 1.06 H new ATOM 0 HB2 ALA A 48 -6.948 -11.495 -1.723 1.00 1.06 H new ATOM 0 HB3 ALA A 48 -7.025 -10.622 -0.174 1.00 1.06 H new ATOM 716 N ALA A 49 -4.806 -13.344 1.823 1.00 0.77 N ATOM 717 CA ALA A 49 -3.979 -13.280 3.014 1.00 0.73 C ATOM 718 C ALA A 49 -2.539 -13.597 2.625 1.00 0.67 C ATOM 719 O ALA A 49 -2.298 -14.374 1.699 1.00 0.71 O ATOM 720 CB ALA A 49 -4.543 -14.251 4.050 1.00 0.98 C ATOM 0 H ALA A 49 -5.024 -14.295 1.525 1.00 0.77 H new ATOM 0 HA ALA A 49 -3.985 -12.285 3.460 1.00 0.73 H new ATOM 0 HB1 ALA A 49 -3.933 -14.215 4.952 1.00 0.98 H new ATOM 0 HB2 ALA A 49 -5.567 -13.969 4.294 1.00 0.98 H new ATOM 0 HB3 ALA A 49 -4.532 -15.263 3.644 1.00 0.98 H new ATOM 726 N THR A 50 -1.576 -12.962 3.290 1.00 0.60 N ATOM 727 CA THR A 50 -0.162 -13.117 2.985 1.00 0.55 C ATOM 728 C THR A 50 0.620 -12.591 4.189 1.00 0.46 C ATOM 729 O THR A 50 0.095 -11.766 4.939 1.00 0.46 O ATOM 730 CB THR A 50 0.159 -12.380 1.664 1.00 0.60 C ATOM 731 OG1 THR A 50 0.673 -13.304 0.722 1.00 0.96 O ATOM 732 CG2 THR A 50 1.151 -11.223 1.775 1.00 0.72 C ATOM 0 H THR A 50 -1.761 -12.321 4.062 1.00 0.60 H new ATOM 0 HA THR A 50 0.122 -14.157 2.825 1.00 0.55 H new ATOM 0 HB THR A 50 -0.790 -11.941 1.355 1.00 0.60 H new ATOM 0 HG1 THR A 50 1.406 -12.888 0.222 1.00 0.96 H new ATOM 0 HG21 THR A 50 1.303 -10.778 0.791 1.00 0.72 H new ATOM 0 HG22 THR A 50 0.756 -10.470 2.457 1.00 0.72 H new ATOM 0 HG23 THR A 50 2.102 -11.595 2.156 1.00 0.72 H new ATOM 740 N PRO A 51 1.856 -13.059 4.397 1.00 0.44 N ATOM 741 CA PRO A 51 2.666 -12.623 5.516 1.00 0.41 C ATOM 742 C PRO A 51 3.074 -11.161 5.350 1.00 0.36 C ATOM 743 O PRO A 51 3.151 -10.626 4.242 1.00 0.46 O ATOM 744 CB PRO A 51 3.891 -13.541 5.515 1.00 0.47 C ATOM 745 CG PRO A 51 4.020 -13.956 4.051 1.00 0.48 C ATOM 746 CD PRO A 51 2.567 -14.032 3.586 1.00 0.53 C ATOM 0 HA PRO A 51 2.123 -12.684 6.459 1.00 0.41 H new ATOM 0 HB2 PRO A 51 4.783 -13.022 5.866 1.00 0.47 H new ATOM 0 HB3 PRO A 51 3.748 -14.403 6.166 1.00 0.47 H new ATOM 0 HG2 PRO A 51 4.591 -13.228 3.474 1.00 0.48 H new ATOM 0 HG3 PRO A 51 4.528 -14.915 3.947 1.00 0.48 H new ATOM 0 HD2 PRO A 51 2.480 -13.799 2.525 1.00 0.53 H new ATOM 0 HD3 PRO A 51 2.161 -15.034 3.726 1.00 0.53 H new ATOM 754 N VAL A 52 3.375 -10.529 6.480 1.00 0.34 N ATOM 755 CA VAL A 52 3.920 -9.187 6.534 1.00 0.33 C ATOM 756 C VAL A 52 5.224 -9.129 5.733 1.00 0.27 C ATOM 757 O VAL A 52 5.915 -10.133 5.569 1.00 0.30 O ATOM 758 CB VAL A 52 4.131 -8.835 8.016 1.00 0.40 C ATOM 759 CG1 VAL A 52 4.914 -7.545 8.217 1.00 0.73 C ATOM 760 CG2 VAL A 52 2.791 -8.683 8.748 1.00 0.79 C ATOM 0 H VAL A 52 3.242 -10.949 7.400 1.00 0.34 H new ATOM 0 HA VAL A 52 3.243 -8.459 6.088 1.00 0.33 H new ATOM 0 HB VAL A 52 4.705 -9.666 8.427 1.00 0.40 H new ATOM 0 HG11 VAL A 52 5.029 -7.352 9.284 1.00 0.73 H new ATOM 0 HG12 VAL A 52 5.898 -7.641 7.757 1.00 0.73 H new ATOM 0 HG13 VAL A 52 4.376 -6.717 7.754 1.00 0.73 H new ATOM 0 HG21 VAL A 52 2.974 -8.434 9.793 1.00 0.79 H new ATOM 0 HG22 VAL A 52 2.210 -7.887 8.282 1.00 0.79 H new ATOM 0 HG23 VAL A 52 2.236 -9.619 8.690 1.00 0.79 H new ATOM 770 N GLY A 53 5.554 -7.943 5.221 1.00 0.27 N ATOM 771 CA GLY A 53 6.818 -7.697 4.563 1.00 0.27 C ATOM 772 C GLY A 53 6.816 -8.197 3.128 1.00 0.27 C ATOM 773 O GLY A 53 7.880 -8.305 2.524 1.00 0.28 O ATOM 0 H GLY A 53 4.942 -7.128 5.256 1.00 0.27 H new ATOM 0 HA2 GLY A 53 7.032 -6.628 4.575 1.00 0.27 H new ATOM 0 HA3 GLY A 53 7.618 -8.188 5.118 1.00 0.27 H new ATOM 777 N THR A 54 5.644 -8.485 2.556 1.00 0.29 N ATOM 778 CA THR A 54 5.573 -8.932 1.175 1.00 0.32 C ATOM 779 C THR A 54 4.387 -8.253 0.487 1.00 0.29 C ATOM 780 O THR A 54 3.672 -7.461 1.109 1.00 0.29 O ATOM 781 CB THR A 54 5.523 -10.468 1.120 1.00 0.40 C ATOM 782 OG1 THR A 54 4.292 -10.947 1.597 1.00 0.60 O ATOM 783 CG2 THR A 54 6.621 -11.146 1.943 1.00 0.57 C ATOM 0 H THR A 54 4.742 -8.416 3.028 1.00 0.29 H new ATOM 0 HA THR A 54 6.468 -8.640 0.626 1.00 0.32 H new ATOM 0 HB THR A 54 5.669 -10.715 0.068 1.00 0.40 H new ATOM 0 HG1 THR A 54 4.179 -10.683 2.534 1.00 0.60 H new ATOM 0 HG21 THR A 54 6.524 -12.228 1.858 1.00 0.57 H new ATOM 0 HG22 THR A 54 7.598 -10.839 1.570 1.00 0.57 H new ATOM 0 HG23 THR A 54 6.524 -10.855 2.989 1.00 0.57 H new ATOM 791 N ALA A 55 4.183 -8.547 -0.799 1.00 0.31 N ATOM 792 CA ALA A 55 3.104 -7.994 -1.594 1.00 0.30 C ATOM 793 C ALA A 55 2.424 -9.163 -2.297 1.00 0.31 C ATOM 794 O ALA A 55 3.088 -9.918 -3.003 1.00 0.60 O ATOM 795 CB ALA A 55 3.663 -6.971 -2.596 1.00 0.36 C ATOM 0 H ALA A 55 4.780 -9.190 -1.320 1.00 0.31 H new ATOM 0 HA ALA A 55 2.379 -7.465 -0.975 1.00 0.30 H new ATOM 0 HB1 ALA A 55 2.847 -6.560 -3.190 1.00 0.36 H new ATOM 0 HB2 ALA A 55 4.160 -6.166 -2.055 1.00 0.36 H new ATOM 0 HB3 ALA A 55 4.380 -7.461 -3.255 1.00 0.36 H new ATOM 801 N LYS A 56 1.118 -9.345 -2.091 1.00 0.42 N ATOM 802 CA LYS A 56 0.362 -10.395 -2.755 1.00 0.46 C ATOM 803 C LYS A 56 -0.426 -9.760 -3.884 1.00 0.43 C ATOM 804 O LYS A 56 -1.439 -9.107 -3.647 1.00 0.44 O ATOM 805 CB LYS A 56 -0.561 -11.112 -1.763 1.00 0.51 C ATOM 806 CG LYS A 56 -1.376 -12.214 -2.451 1.00 0.68 C ATOM 807 CD LYS A 56 -2.358 -12.884 -1.480 1.00 1.20 C ATOM 808 CE LYS A 56 -2.188 -14.406 -1.500 1.00 1.60 C ATOM 809 NZ LYS A 56 -0.968 -14.826 -0.781 1.00 2.25 N ATOM 0 H LYS A 56 0.561 -8.768 -1.460 1.00 0.42 H new ATOM 0 HA LYS A 56 1.037 -11.150 -3.158 1.00 0.46 H new ATOM 0 HB2 LYS A 56 0.034 -11.546 -0.959 1.00 0.51 H new ATOM 0 HB3 LYS A 56 -1.237 -10.390 -1.306 1.00 0.51 H new ATOM 0 HG2 LYS A 56 -1.927 -11.789 -3.290 1.00 0.68 H new ATOM 0 HG3 LYS A 56 -0.700 -12.965 -2.861 1.00 0.68 H new ATOM 0 HD2 LYS A 56 -2.192 -12.508 -0.470 1.00 1.20 H new ATOM 0 HD3 LYS A 56 -3.381 -12.624 -1.753 1.00 1.20 H new ATOM 0 HE2 LYS A 56 -3.060 -14.876 -1.044 1.00 1.60 H new ATOM 0 HE3 LYS A 56 -2.141 -14.754 -2.532 1.00 1.60 H new ATOM 0 HZ1 LYS A 56 -0.385 -15.420 -1.404 1.00 2.25 H new ATOM 0 HZ2 LYS A 56 -0.425 -13.985 -0.497 1.00 2.25 H new ATOM 0 HZ3 LYS A 56 -1.233 -15.369 0.066 1.00 2.25 H new ATOM 823 N THR A 57 0.015 -9.963 -5.113 1.00 0.52 N ATOM 824 CA THR A 57 -0.707 -9.473 -6.267 1.00 0.54 C ATOM 825 C THR A 57 -1.896 -10.395 -6.502 1.00 0.49 C ATOM 826 O THR A 57 -1.787 -11.608 -6.321 1.00 0.63 O ATOM 827 CB THR A 57 0.247 -9.508 -7.455 1.00 0.73 C ATOM 828 OG1 THR A 57 1.459 -8.935 -7.034 1.00 1.12 O ATOM 829 CG2 THR A 57 -0.262 -8.731 -8.665 1.00 0.87 C ATOM 0 H THR A 57 0.874 -10.466 -5.335 1.00 0.52 H new ATOM 0 HA THR A 57 -1.069 -8.455 -6.124 1.00 0.54 H new ATOM 0 HB THR A 57 0.354 -10.546 -7.771 1.00 0.73 H new ATOM 0 HG1 THR A 57 2.146 -9.084 -7.717 1.00 1.12 H new ATOM 0 HG21 THR A 57 0.466 -8.798 -9.473 1.00 0.87 H new ATOM 0 HG22 THR A 57 -1.211 -9.153 -8.996 1.00 0.87 H new ATOM 0 HG23 THR A 57 -0.405 -7.686 -8.392 1.00 0.87 H new ATOM 837 N VAL A 58 -3.025 -9.835 -6.922 1.00 0.50 N ATOM 838 CA VAL A 58 -4.187 -10.592 -7.337 1.00 0.49 C ATOM 839 C VAL A 58 -4.640 -9.981 -8.660 1.00 0.68 C ATOM 840 O VAL A 58 -4.387 -8.807 -8.933 1.00 1.52 O ATOM 841 CB VAL A 58 -5.275 -10.569 -6.244 1.00 0.66 C ATOM 842 CG1 VAL A 58 -6.389 -11.571 -6.574 1.00 1.14 C ATOM 843 CG2 VAL A 58 -4.699 -10.932 -4.869 1.00 1.31 C ATOM 0 H VAL A 58 -3.155 -8.825 -6.982 1.00 0.50 H new ATOM 0 HA VAL A 58 -3.962 -11.649 -7.482 1.00 0.49 H new ATOM 0 HB VAL A 58 -5.673 -9.555 -6.213 1.00 0.66 H new ATOM 0 HG11 VAL A 58 -7.148 -11.542 -5.792 1.00 1.14 H new ATOM 0 HG12 VAL A 58 -6.842 -11.309 -7.530 1.00 1.14 H new ATOM 0 HG13 VAL A 58 -5.969 -12.575 -6.634 1.00 1.14 H new ATOM 0 HG21 VAL A 58 -5.494 -10.906 -4.123 1.00 1.31 H new ATOM 0 HG22 VAL A 58 -4.270 -11.933 -4.907 1.00 1.31 H new ATOM 0 HG23 VAL A 58 -3.924 -10.215 -4.599 1.00 1.31 H new ATOM 853 N LYS A 59 -5.284 -10.784 -9.502 1.00 0.55 N ATOM 854 CA LYS A 59 -5.782 -10.341 -10.789 1.00 0.71 C ATOM 855 C LYS A 59 -7.277 -10.591 -10.750 1.00 0.79 C ATOM 856 O LYS A 59 -7.706 -11.739 -10.815 1.00 0.95 O ATOM 857 CB LYS A 59 -5.064 -11.094 -11.919 1.00 1.01 C ATOM 858 CG LYS A 59 -3.582 -10.686 -11.952 1.00 1.44 C ATOM 859 CD LYS A 59 -2.766 -11.417 -13.023 1.00 1.87 C ATOM 860 CE LYS A 59 -3.274 -11.084 -14.431 1.00 1.58 C ATOM 861 NZ LYS A 59 -2.256 -11.366 -15.468 1.00 2.40 N ATOM 0 H LYS A 59 -5.473 -11.766 -9.304 1.00 0.55 H new ATOM 0 HA LYS A 59 -5.590 -9.286 -10.985 1.00 0.71 H new ATOM 0 HB2 LYS A 59 -5.152 -12.170 -11.766 1.00 1.01 H new ATOM 0 HB3 LYS A 59 -5.535 -10.869 -12.876 1.00 1.01 H new ATOM 0 HG2 LYS A 59 -3.514 -9.612 -12.126 1.00 1.44 H new ATOM 0 HG3 LYS A 59 -3.139 -10.880 -10.975 1.00 1.44 H new ATOM 0 HD2 LYS A 59 -1.716 -11.138 -12.937 1.00 1.87 H new ATOM 0 HD3 LYS A 59 -2.825 -12.493 -12.857 1.00 1.87 H new ATOM 0 HE2 LYS A 59 -4.173 -11.664 -14.639 1.00 1.58 H new ATOM 0 HE3 LYS A 59 -3.555 -10.032 -14.476 1.00 1.58 H new ATOM 0 HZ1 LYS A 59 -2.639 -11.127 -16.405 1.00 2.40 H new ATOM 0 HZ2 LYS A 59 -1.407 -10.794 -15.285 1.00 2.40 H new ATOM 0 HZ3 LYS A 59 -2.006 -12.375 -15.443 1.00 2.40 H new ATOM 875 N CYS A 60 -8.058 -9.529 -10.563 1.00 0.76 N ATOM 876 CA CYS A 60 -9.508 -9.595 -10.573 1.00 0.78 C ATOM 877 C CYS A 60 -9.936 -8.845 -11.821 1.00 0.87 C ATOM 878 O CYS A 60 -9.334 -7.815 -12.114 1.00 3.00 O ATOM 879 CB CYS A 60 -10.058 -8.917 -9.317 1.00 1.36 C ATOM 880 SG CYS A 60 -11.868 -9.016 -9.327 1.00 1.44 S ATOM 0 H CYS A 60 -7.693 -8.591 -10.399 1.00 0.76 H new ATOM 0 HA CYS A 60 -9.880 -10.619 -10.579 1.00 0.78 H new ATOM 0 HB2 CYS A 60 -9.661 -9.401 -8.425 1.00 1.36 H new ATOM 0 HB3 CYS A 60 -9.739 -7.875 -9.283 1.00 1.36 H new ATOM 0 HG CYS A 60 -12.340 -8.443 -8.260 1.00 1.44 H new ATOM 886 N ASP A 61 -10.941 -9.342 -12.543 1.00 1.05 N ATOM 887 CA ASP A 61 -11.337 -8.820 -13.846 1.00 0.77 C ATOM 888 C ASP A 61 -10.103 -8.654 -14.734 1.00 0.74 C ATOM 889 O ASP A 61 -9.595 -9.638 -15.268 1.00 0.94 O ATOM 890 CB ASP A 61 -12.165 -7.533 -13.701 1.00 0.90 C ATOM 891 CG ASP A 61 -13.474 -7.780 -12.962 1.00 1.49 C ATOM 892 OD1 ASP A 61 -14.176 -8.741 -13.346 1.00 1.73 O ATOM 893 OD2 ASP A 61 -13.745 -7.002 -12.019 1.00 2.65 O ATOM 0 H ASP A 61 -11.509 -10.130 -12.232 1.00 1.05 H new ATOM 0 HA ASP A 61 -11.994 -9.535 -14.341 1.00 0.77 H new ATOM 0 HB2 ASP A 61 -11.581 -6.784 -13.165 1.00 0.90 H new ATOM 0 HB3 ASP A 61 -12.377 -7.125 -14.689 1.00 0.90 H new ATOM 898 N GLU A 62 -9.585 -7.430 -14.862 1.00 0.61 N ATOM 899 CA GLU A 62 -8.394 -7.145 -15.637 1.00 0.71 C ATOM 900 C GLU A 62 -7.586 -6.031 -14.954 1.00 0.70 C ATOM 901 O GLU A 62 -7.024 -5.166 -15.619 1.00 1.13 O ATOM 902 CB GLU A 62 -8.828 -6.790 -17.069 1.00 0.83 C ATOM 903 CG GLU A 62 -7.746 -7.213 -18.068 1.00 1.64 C ATOM 904 CD GLU A 62 -8.108 -6.882 -19.520 1.00 1.85 C ATOM 905 OE1 GLU A 62 -7.167 -6.859 -20.345 1.00 2.81 O ATOM 906 OE2 GLU A 62 -9.312 -6.683 -19.799 1.00 1.78 O ATOM 0 H GLU A 62 -9.992 -6.605 -14.422 1.00 0.61 H new ATOM 0 HA GLU A 62 -7.735 -8.011 -15.692 1.00 0.71 H new ATOM 0 HB2 GLU A 62 -9.768 -7.288 -17.306 1.00 0.83 H new ATOM 0 HB3 GLU A 62 -9.007 -5.718 -17.148 1.00 0.83 H new ATOM 0 HG2 GLU A 62 -6.809 -6.718 -17.811 1.00 1.64 H new ATOM 0 HG3 GLU A 62 -7.575 -8.286 -17.978 1.00 1.64 H new ATOM 913 N THR A 63 -7.511 -6.045 -13.616 1.00 0.67 N ATOM 914 CA THR A 63 -6.750 -5.059 -12.854 1.00 0.64 C ATOM 915 C THR A 63 -5.587 -5.736 -12.140 1.00 0.41 C ATOM 916 O THR A 63 -5.638 -6.932 -11.842 1.00 0.59 O ATOM 917 CB THR A 63 -7.652 -4.284 -11.874 1.00 0.93 C ATOM 918 OG1 THR A 63 -6.964 -3.143 -11.406 1.00 1.04 O ATOM 919 CG2 THR A 63 -8.108 -5.087 -10.650 1.00 1.18 C ATOM 0 H THR A 63 -7.978 -6.742 -13.036 1.00 0.67 H new ATOM 0 HA THR A 63 -6.341 -4.325 -13.548 1.00 0.64 H new ATOM 0 HB THR A 63 -8.546 -4.032 -12.444 1.00 0.93 H new ATOM 0 HG1 THR A 63 -7.537 -2.648 -10.784 1.00 1.04 H new ATOM 0 HG21 THR A 63 -8.738 -4.461 -10.018 1.00 1.18 H new ATOM 0 HG22 THR A 63 -8.675 -5.958 -10.977 1.00 1.18 H new ATOM 0 HG23 THR A 63 -7.236 -5.413 -10.083 1.00 1.18 H new ATOM 927 N TYR A 64 -4.564 -4.949 -11.804 1.00 0.37 N ATOM 928 CA TYR A 64 -3.392 -5.422 -11.104 1.00 0.37 C ATOM 929 C TYR A 64 -3.420 -4.864 -9.683 1.00 0.34 C ATOM 930 O TYR A 64 -2.853 -3.812 -9.402 1.00 0.52 O ATOM 931 CB TYR A 64 -2.177 -4.924 -11.880 1.00 0.64 C ATOM 932 CG TYR A 64 -2.027 -5.486 -13.283 1.00 0.63 C ATOM 933 CD1 TYR A 64 -1.768 -6.855 -13.482 1.00 0.74 C ATOM 934 CD2 TYR A 64 -2.124 -4.624 -14.394 1.00 0.71 C ATOM 935 CE1 TYR A 64 -1.598 -7.357 -14.783 1.00 0.87 C ATOM 936 CE2 TYR A 64 -1.948 -5.118 -15.698 1.00 0.82 C ATOM 937 CZ TYR A 64 -1.680 -6.492 -15.896 1.00 0.88 C ATOM 938 OH TYR A 64 -1.493 -7.002 -17.145 1.00 1.08 O ATOM 0 H TYR A 64 -4.536 -3.952 -12.018 1.00 0.37 H new ATOM 0 HA TYR A 64 -3.357 -6.509 -11.037 1.00 0.37 H new ATOM 0 HB2 TYR A 64 -2.229 -3.837 -11.946 1.00 0.64 H new ATOM 0 HB3 TYR A 64 -1.279 -5.166 -11.311 1.00 0.64 H new ATOM 0 HD1 TYR A 64 -1.700 -7.520 -12.634 1.00 0.74 H new ATOM 0 HD2 TYR A 64 -2.335 -3.576 -14.242 1.00 0.71 H new ATOM 0 HE1 TYR A 64 -1.404 -8.409 -14.932 1.00 0.87 H new ATOM 0 HE2 TYR A 64 -2.017 -4.451 -16.545 1.00 0.82 H new ATOM 0 HH TYR A 64 -1.581 -6.285 -17.808 1.00 1.08 H new ATOM 948 N ILE A 65 -4.109 -5.535 -8.764 1.00 0.32 N ATOM 949 CA ILE A 65 -4.175 -5.079 -7.387 1.00 0.36 C ATOM 950 C ILE A 65 -3.040 -5.761 -6.626 1.00 0.37 C ATOM 951 O ILE A 65 -2.743 -6.930 -6.852 1.00 0.57 O ATOM 952 CB ILE A 65 -5.571 -5.379 -6.829 1.00 0.58 C ATOM 953 CG1 ILE A 65 -5.686 -5.240 -5.298 1.00 0.69 C ATOM 954 CG2 ILE A 65 -6.005 -6.772 -7.257 1.00 0.81 C ATOM 955 CD1 ILE A 65 -5.827 -3.783 -4.891 1.00 1.11 C ATOM 0 H ILE A 65 -4.627 -6.394 -8.951 1.00 0.32 H new ATOM 0 HA ILE A 65 -4.038 -4.002 -7.290 1.00 0.36 H new ATOM 0 HB ILE A 65 -6.233 -4.621 -7.247 1.00 0.58 H new ATOM 0 HG12 ILE A 65 -6.547 -5.805 -4.942 1.00 0.69 H new ATOM 0 HG13 ILE A 65 -4.804 -5.670 -4.823 1.00 0.69 H new ATOM 0 HG21 ILE A 65 -6.998 -6.982 -6.859 1.00 0.81 H new ATOM 0 HG22 ILE A 65 -6.032 -6.826 -8.345 1.00 0.81 H new ATOM 0 HG23 ILE A 65 -5.297 -7.507 -6.874 1.00 0.81 H new ATOM 0 HD11 ILE A 65 -5.906 -3.714 -3.806 1.00 1.11 H new ATOM 0 HD12 ILE A 65 -4.953 -3.225 -5.227 1.00 1.11 H new ATOM 0 HD13 ILE A 65 -6.723 -3.363 -5.348 1.00 1.11 H new ATOM 967 N ILE A 66 -2.374 -5.024 -5.746 1.00 0.32 N ATOM 968 CA ILE A 66 -1.209 -5.469 -5.014 1.00 0.32 C ATOM 969 C ILE A 66 -1.511 -5.241 -3.532 1.00 0.43 C ATOM 970 O ILE A 66 -1.704 -4.114 -3.082 1.00 0.78 O ATOM 971 CB ILE A 66 0.017 -4.706 -5.543 1.00 0.31 C ATOM 972 CG1 ILE A 66 0.280 -4.978 -7.041 1.00 0.61 C ATOM 973 CG2 ILE A 66 1.266 -5.109 -4.754 1.00 0.38 C ATOM 974 CD1 ILE A 66 1.006 -3.817 -7.725 1.00 0.80 C ATOM 0 H ILE A 66 -2.645 -4.067 -5.519 1.00 0.32 H new ATOM 0 HA ILE A 66 -0.981 -6.527 -5.146 1.00 0.32 H new ATOM 0 HB ILE A 66 -0.197 -3.645 -5.418 1.00 0.31 H new ATOM 0 HG12 ILE A 66 0.874 -5.886 -7.144 1.00 0.61 H new ATOM 0 HG13 ILE A 66 -0.668 -5.159 -7.547 1.00 0.61 H new ATOM 0 HG21 ILE A 66 2.129 -4.564 -5.136 1.00 0.38 H new ATOM 0 HG22 ILE A 66 1.123 -4.871 -3.700 1.00 0.38 H new ATOM 0 HG23 ILE A 66 1.436 -6.180 -4.864 1.00 0.38 H new ATOM 0 HD11 ILE A 66 1.167 -4.057 -8.776 1.00 0.80 H new ATOM 0 HD12 ILE A 66 0.401 -2.914 -7.648 1.00 0.80 H new ATOM 0 HD13 ILE A 66 1.968 -3.652 -7.239 1.00 0.80 H new ATOM 986 N HIS A 67 -1.595 -6.315 -2.758 1.00 0.29 N ATOM 987 CA HIS A 67 -1.912 -6.257 -1.348 1.00 0.34 C ATOM 988 C HIS A 67 -0.591 -6.158 -0.605 1.00 0.30 C ATOM 989 O HIS A 67 0.077 -7.168 -0.399 1.00 0.38 O ATOM 990 CB HIS A 67 -2.672 -7.528 -0.956 1.00 0.52 C ATOM 991 CG HIS A 67 -4.033 -7.639 -1.592 1.00 1.01 C ATOM 992 ND1 HIS A 67 -4.307 -7.693 -2.934 1.00 1.94 N flip ATOM 993 CD2 HIS A 67 -5.227 -7.736 -0.915 1.00 2.36 C flip ATOM 994 CE1 HIS A 67 -5.691 -7.796 -3.080 1.00 2.32 C flip ATOM 995 NE2 HIS A 67 -6.195 -7.835 -1.838 1.00 2.64 N flip ATOM 0 H HIS A 67 -1.441 -7.263 -3.103 1.00 0.29 H new ATOM 0 HA HIS A 67 -2.542 -5.402 -1.104 1.00 0.34 H new ATOM 0 HB2 HIS A 67 -2.077 -8.397 -1.236 1.00 0.52 H new ATOM 0 HB3 HIS A 67 -2.784 -7.554 0.128 1.00 0.52 H new ATOM 0 HD2 HIS A 67 -5.360 -7.733 0.157 1.00 2.36 H new ATOM 0 HE1 HIS A 67 -6.245 -7.836 -4.006 1.00 2.32 H new ATOM 0 HE2 HIS A 67 -7.188 -7.928 -1.623 1.00 2.64 H new ATOM 1003 N ALA A 68 -0.195 -4.954 -0.210 1.00 0.30 N ATOM 1004 CA ALA A 68 1.061 -4.765 0.483 1.00 0.31 C ATOM 1005 C ALA A 68 0.770 -4.948 1.961 1.00 0.33 C ATOM 1006 O ALA A 68 -0.108 -4.266 2.491 1.00 0.42 O ATOM 1007 CB ALA A 68 1.565 -3.350 0.210 1.00 0.32 C ATOM 0 H ALA A 68 -0.729 -4.098 -0.360 1.00 0.30 H new ATOM 0 HA ALA A 68 1.823 -5.471 0.153 1.00 0.31 H new ATOM 0 HB1 ALA A 68 2.512 -3.195 0.727 1.00 0.32 H new ATOM 0 HB2 ALA A 68 1.711 -3.216 -0.862 1.00 0.32 H new ATOM 0 HB3 ALA A 68 0.833 -2.627 0.569 1.00 0.32 H new ATOM 1013 N VAL A 69 1.474 -5.867 2.622 1.00 0.37 N ATOM 1014 CA VAL A 69 1.190 -6.152 4.015 1.00 0.40 C ATOM 1015 C VAL A 69 2.246 -5.496 4.883 1.00 0.40 C ATOM 1016 O VAL A 69 3.413 -5.886 4.879 1.00 0.39 O ATOM 1017 CB VAL A 69 1.029 -7.651 4.259 1.00 0.44 C ATOM 1018 CG1 VAL A 69 0.651 -7.914 5.717 1.00 0.78 C ATOM 1019 CG2 VAL A 69 -0.117 -8.188 3.401 1.00 0.77 C ATOM 0 H VAL A 69 2.232 -6.416 2.217 1.00 0.37 H new ATOM 0 HA VAL A 69 0.228 -5.721 4.294 1.00 0.40 H new ATOM 0 HB VAL A 69 1.973 -8.137 4.013 1.00 0.44 H new ATOM 0 HG11 VAL A 69 0.540 -8.987 5.876 1.00 0.78 H new ATOM 0 HG12 VAL A 69 1.434 -7.529 6.371 1.00 0.78 H new ATOM 0 HG13 VAL A 69 -0.290 -7.414 5.945 1.00 0.78 H new ATOM 0 HG21 VAL A 69 -0.232 -9.258 3.575 1.00 0.77 H new ATOM 0 HG22 VAL A 69 -1.042 -7.676 3.667 1.00 0.77 H new ATOM 0 HG23 VAL A 69 0.104 -8.014 2.348 1.00 0.77 H new ATOM 1029 N GLY A 70 1.808 -4.485 5.626 1.00 0.46 N ATOM 1030 CA GLY A 70 2.672 -3.678 6.465 1.00 0.51 C ATOM 1031 C GLY A 70 2.738 -4.272 7.865 1.00 0.47 C ATOM 1032 O GLY A 70 1.769 -4.873 8.329 1.00 0.47 O ATOM 0 H GLY A 70 0.828 -4.203 5.659 1.00 0.46 H new ATOM 0 HA2 GLY A 70 3.672 -3.631 6.033 1.00 0.51 H new ATOM 0 HA3 GLY A 70 2.296 -2.656 6.512 1.00 0.51 H new ATOM 1036 N PRO A 71 3.876 -4.112 8.545 1.00 0.48 N ATOM 1037 CA PRO A 71 4.056 -4.595 9.895 1.00 0.51 C ATOM 1038 C PRO A 71 3.313 -3.728 10.898 1.00 0.68 C ATOM 1039 O PRO A 71 2.859 -2.615 10.621 1.00 0.87 O ATOM 1040 CB PRO A 71 5.560 -4.558 10.160 1.00 0.48 C ATOM 1041 CG PRO A 71 6.050 -3.468 9.219 1.00 0.50 C ATOM 1042 CD PRO A 71 5.086 -3.498 8.040 1.00 0.49 C ATOM 0 HA PRO A 71 3.654 -5.602 10.004 1.00 0.51 H new ATOM 0 HB2 PRO A 71 5.780 -4.321 11.201 1.00 0.48 H new ATOM 0 HB3 PRO A 71 6.031 -5.517 9.945 1.00 0.48 H new ATOM 0 HG2 PRO A 71 6.045 -2.494 9.708 1.00 0.50 H new ATOM 0 HG3 PRO A 71 7.074 -3.657 8.896 1.00 0.50 H new ATOM 0 HD2 PRO A 71 4.890 -2.492 7.668 1.00 0.49 H new ATOM 0 HD3 PRO A 71 5.499 -4.070 7.210 1.00 0.49 H new ATOM 1050 N ASN A 72 3.241 -4.263 12.108 1.00 0.77 N ATOM 1051 CA ASN A 72 2.467 -3.758 13.214 1.00 0.85 C ATOM 1052 C ASN A 72 3.419 -3.485 14.363 1.00 0.67 C ATOM 1053 O ASN A 72 3.692 -4.373 15.155 1.00 0.74 O ATOM 1054 CB ASN A 72 1.358 -4.769 13.589 1.00 1.20 C ATOM 1055 CG ASN A 72 1.803 -6.236 13.689 1.00 1.61 C ATOM 1056 OD1 ASN A 72 2.962 -6.589 13.514 1.00 2.57 O ATOM 1057 ND2 ASN A 72 0.867 -7.143 13.930 1.00 2.08 N ATOM 0 H ASN A 72 3.754 -5.111 12.350 1.00 0.77 H new ATOM 0 HA ASN A 72 1.962 -2.828 12.952 1.00 0.85 H new ATOM 0 HB2 ASN A 72 0.929 -4.472 14.546 1.00 1.20 H new ATOM 0 HB3 ASN A 72 0.562 -4.699 12.848 1.00 1.20 H new ATOM 0 HD21 ASN A 72 1.113 -8.132 13.969 1.00 2.08 H new ATOM 0 HD22 ASN A 72 -0.100 -6.852 14.076 1.00 2.08 H new ATOM 1064 N PHE A 73 3.883 -2.240 14.510 1.00 0.65 N ATOM 1065 CA PHE A 73 4.759 -1.838 15.612 1.00 0.72 C ATOM 1066 C PHE A 73 4.134 -2.107 16.998 1.00 0.81 C ATOM 1067 O PHE A 73 4.826 -2.112 18.008 1.00 1.02 O ATOM 1068 CB PHE A 73 5.142 -0.357 15.456 1.00 0.93 C ATOM 1069 CG PHE A 73 5.943 -0.002 14.215 1.00 1.59 C ATOM 1070 CD1 PHE A 73 7.301 -0.357 14.135 1.00 1.64 C ATOM 1071 CD2 PHE A 73 5.357 0.749 13.176 1.00 3.05 C ATOM 1072 CE1 PHE A 73 8.076 0.061 13.037 1.00 2.78 C ATOM 1073 CE2 PHE A 73 6.126 1.144 12.066 1.00 4.20 C ATOM 1074 CZ PHE A 73 7.488 0.803 11.998 1.00 4.00 C ATOM 0 H PHE A 73 3.660 -1.481 13.866 1.00 0.65 H new ATOM 0 HA PHE A 73 5.658 -2.452 15.560 1.00 0.72 H new ATOM 0 HB2 PHE A 73 4.227 0.236 15.455 1.00 0.93 H new ATOM 0 HB3 PHE A 73 5.716 -0.057 16.333 1.00 0.93 H new ATOM 0 HD1 PHE A 73 7.750 -0.951 14.917 1.00 1.64 H new ATOM 0 HD2 PHE A 73 4.314 1.022 13.232 1.00 3.05 H new ATOM 0 HE1 PHE A 73 9.126 -0.189 12.993 1.00 2.78 H new ATOM 0 HE2 PHE A 73 5.670 1.709 11.266 1.00 4.20 H new ATOM 0 HZ PHE A 73 8.081 1.110 11.149 1.00 4.00 H new ATOM 1084 N ASN A 74 2.821 -2.347 17.075 1.00 0.78 N ATOM 1085 CA ASN A 74 2.137 -2.657 18.336 1.00 0.95 C ATOM 1086 C ASN A 74 2.343 -4.119 18.752 1.00 1.04 C ATOM 1087 O ASN A 74 1.950 -4.535 19.835 1.00 1.34 O ATOM 1088 CB ASN A 74 0.629 -2.380 18.199 1.00 0.97 C ATOM 1089 CG ASN A 74 0.062 -1.644 19.409 1.00 1.71 C ATOM 1090 OD1 ASN A 74 0.703 -1.504 20.441 1.00 2.87 O ATOM 1091 ND2 ASN A 74 -1.152 -1.124 19.290 1.00 2.67 N ATOM 0 H ASN A 74 2.202 -2.332 16.265 1.00 0.78 H new ATOM 0 HA ASN A 74 2.569 -2.018 19.106 1.00 0.95 H new ATOM 0 HB2 ASN A 74 0.451 -1.789 17.301 1.00 0.97 H new ATOM 0 HB3 ASN A 74 0.099 -3.324 18.070 1.00 0.97 H new ATOM 0 HD21 ASN A 74 -1.561 -0.601 20.064 1.00 2.67 H new ATOM 0 HD22 ASN A 74 -1.677 -1.247 18.424 1.00 2.67 H new ATOM 1098 N ASN A 75 2.890 -4.920 17.842 1.00 0.88 N ATOM 1099 CA ASN A 75 3.145 -6.344 17.958 1.00 1.02 C ATOM 1100 C ASN A 75 4.582 -6.660 17.528 1.00 0.87 C ATOM 1101 O ASN A 75 4.966 -7.824 17.566 1.00 0.87 O ATOM 1102 CB ASN A 75 2.138 -7.115 17.082 1.00 1.17 C ATOM 1103 CG ASN A 75 1.218 -8.013 17.895 1.00 1.40 C ATOM 1104 OD1 ASN A 75 1.396 -9.222 17.955 1.00 2.32 O ATOM 1105 ND2 ASN A 75 0.191 -7.443 18.511 1.00 2.24 N ATOM 0 H ASN A 75 3.188 -4.558 16.936 1.00 0.88 H new ATOM 0 HA ASN A 75 3.024 -6.651 18.997 1.00 1.02 H new ATOM 0 HB2 ASN A 75 1.537 -6.404 16.515 1.00 1.17 H new ATOM 0 HB3 ASN A 75 2.682 -7.721 16.357 1.00 1.17 H new ATOM 0 HD21 ASN A 75 -0.464 -8.014 19.045 1.00 2.24 H new ATOM 0 HD22 ASN A 75 0.057 -6.434 18.451 1.00 2.24 H new ATOM 1112 N THR A 76 5.389 -5.668 17.121 1.00 0.83 N ATOM 1113 CA THR A 76 6.772 -5.934 16.737 1.00 0.82 C ATOM 1114 C THR A 76 7.645 -4.723 17.047 1.00 0.97 C ATOM 1115 O THR A 76 7.142 -3.606 17.141 1.00 1.39 O ATOM 1116 CB THR A 76 6.849 -6.344 15.258 1.00 0.77 C ATOM 1117 OG1 THR A 76 8.053 -7.052 15.084 1.00 0.83 O ATOM 1118 CG2 THR A 76 6.833 -5.170 14.270 1.00 0.75 C ATOM 0 H THR A 76 5.108 -4.690 17.052 1.00 0.83 H new ATOM 0 HA THR A 76 7.155 -6.770 17.322 1.00 0.82 H new ATOM 0 HB THR A 76 5.960 -6.936 15.040 1.00 0.77 H new ATOM 0 HG1 THR A 76 8.136 -7.332 14.149 1.00 0.83 H new ATOM 0 HG21 THR A 76 6.891 -5.552 13.251 1.00 0.75 H new ATOM 0 HG22 THR A 76 5.910 -4.603 14.394 1.00 0.75 H new ATOM 0 HG23 THR A 76 7.687 -4.520 14.463 1.00 0.75 H new ATOM 1126 N SER A 77 8.949 -4.937 17.223 1.00 0.84 N ATOM 1127 CA SER A 77 9.884 -3.875 17.559 1.00 0.96 C ATOM 1128 C SER A 77 10.028 -2.882 16.406 1.00 0.87 C ATOM 1129 O SER A 77 9.712 -3.199 15.260 1.00 0.79 O ATOM 1130 CB SER A 77 11.242 -4.507 17.866 1.00 1.05 C ATOM 1131 OG SER A 77 11.084 -5.544 18.811 1.00 1.70 O ATOM 0 H SER A 77 9.383 -5.856 17.135 1.00 0.84 H new ATOM 0 HA SER A 77 9.509 -3.330 18.425 1.00 0.96 H new ATOM 0 HB2 SER A 77 11.685 -4.901 16.951 1.00 1.05 H new ATOM 0 HB3 SER A 77 11.926 -3.751 18.252 1.00 1.05 H new ATOM 0 HG SER A 77 11.956 -5.947 19.003 1.00 1.70 H new ATOM 1137 N GLU A 78 10.583 -1.699 16.672 1.00 0.96 N ATOM 1138 CA GLU A 78 10.878 -0.755 15.601 1.00 0.90 C ATOM 1139 C GLU A 78 11.832 -1.370 14.581 1.00 0.77 C ATOM 1140 O GLU A 78 11.716 -1.081 13.400 1.00 0.67 O ATOM 1141 CB GLU A 78 11.383 0.606 16.109 1.00 1.11 C ATOM 1142 CG GLU A 78 12.721 0.586 16.862 1.00 1.73 C ATOM 1143 CD GLU A 78 12.525 0.459 18.371 1.00 2.56 C ATOM 1144 OE1 GLU A 78 12.743 1.476 19.064 1.00 3.36 O ATOM 1145 OE2 GLU A 78 12.143 -0.654 18.801 1.00 3.69 O ATOM 0 H GLU A 78 10.833 -1.377 17.607 1.00 0.96 H new ATOM 0 HA GLU A 78 9.932 -0.546 15.102 1.00 0.90 H new ATOM 0 HB2 GLU A 78 11.478 1.278 15.256 1.00 1.11 H new ATOM 0 HB3 GLU A 78 10.624 1.031 16.766 1.00 1.11 H new ATOM 0 HG2 GLU A 78 13.327 -0.246 16.504 1.00 1.73 H new ATOM 0 HG3 GLU A 78 13.274 1.500 16.644 1.00 1.73 H new ATOM 1152 N ALA A 79 12.751 -2.238 15.010 1.00 0.82 N ATOM 1153 CA ALA A 79 13.699 -2.880 14.113 1.00 0.77 C ATOM 1154 C ALA A 79 12.976 -3.724 13.065 1.00 0.65 C ATOM 1155 O ALA A 79 13.050 -3.445 11.871 1.00 0.61 O ATOM 1156 CB ALA A 79 14.661 -3.743 14.927 1.00 0.89 C ATOM 0 H ALA A 79 12.854 -2.511 15.987 1.00 0.82 H new ATOM 0 HA ALA A 79 14.263 -2.111 13.585 1.00 0.77 H new ATOM 0 HB1 ALA A 79 15.373 -4.225 14.257 1.00 0.89 H new ATOM 0 HB2 ALA A 79 15.199 -3.116 15.638 1.00 0.89 H new ATOM 0 HB3 ALA A 79 14.098 -4.504 15.468 1.00 0.89 H new ATOM 1162 N GLU A 80 12.282 -4.775 13.506 1.00 0.62 N ATOM 1163 CA GLU A 80 11.560 -5.655 12.599 1.00 0.53 C ATOM 1164 C GLU A 80 10.450 -4.897 11.876 1.00 0.46 C ATOM 1165 O GLU A 80 10.050 -5.296 10.789 1.00 0.44 O ATOM 1166 CB GLU A 80 10.991 -6.862 13.353 1.00 0.58 C ATOM 1167 CG GLU A 80 12.116 -7.801 13.801 1.00 0.82 C ATOM 1168 CD GLU A 80 11.567 -9.152 14.263 1.00 1.10 C ATOM 1169 OE1 GLU A 80 11.009 -9.193 15.381 1.00 1.57 O ATOM 1170 OE2 GLU A 80 11.722 -10.127 13.494 1.00 2.07 O ATOM 0 H GLU A 80 12.208 -5.034 14.490 1.00 0.62 H new ATOM 0 HA GLU A 80 12.263 -6.021 11.851 1.00 0.53 H new ATOM 0 HB2 GLU A 80 10.427 -6.522 14.222 1.00 0.58 H new ATOM 0 HB3 GLU A 80 10.294 -7.402 12.712 1.00 0.58 H new ATOM 0 HG2 GLU A 80 12.814 -7.953 12.978 1.00 0.82 H new ATOM 0 HG3 GLU A 80 12.676 -7.338 14.613 1.00 0.82 H new ATOM 1177 N GLY A 81 9.952 -3.801 12.447 1.00 0.52 N ATOM 1178 CA GLY A 81 8.815 -3.095 11.885 1.00 0.52 C ATOM 1179 C GLY A 81 9.250 -2.197 10.735 1.00 0.49 C ATOM 1180 O GLY A 81 8.633 -2.189 9.680 1.00 0.49 O ATOM 0 H GLY A 81 10.324 -3.386 13.301 1.00 0.52 H new ATOM 0 HA2 GLY A 81 8.074 -3.812 11.532 1.00 0.52 H new ATOM 0 HA3 GLY A 81 8.335 -2.496 12.659 1.00 0.52 H new ATOM 1184 N ASP A 82 10.321 -1.433 10.904 1.00 0.57 N ATOM 1185 CA ASP A 82 10.843 -0.599 9.826 1.00 0.56 C ATOM 1186 C ASP A 82 11.430 -1.516 8.745 1.00 0.46 C ATOM 1187 O ASP A 82 11.243 -1.280 7.551 1.00 0.43 O ATOM 1188 CB ASP A 82 11.865 0.422 10.358 1.00 0.72 C ATOM 1189 CG ASP A 82 11.224 1.717 10.903 1.00 1.31 C ATOM 1190 OD1 ASP A 82 11.725 2.241 11.925 1.00 1.97 O ATOM 1191 OD2 ASP A 82 10.249 2.212 10.287 1.00 2.44 O ATOM 0 H ASP A 82 10.846 -1.372 11.776 1.00 0.57 H new ATOM 0 HA ASP A 82 10.040 -0.009 9.384 1.00 0.56 H new ATOM 0 HB2 ASP A 82 12.452 -0.044 11.150 1.00 0.72 H new ATOM 0 HB3 ASP A 82 12.558 0.680 9.557 1.00 0.72 H new ATOM 1196 N ARG A 83 12.097 -2.609 9.142 1.00 0.46 N ATOM 1197 CA ARG A 83 12.622 -3.606 8.211 1.00 0.44 C ATOM 1198 C ARG A 83 11.504 -4.156 7.337 1.00 0.36 C ATOM 1199 O ARG A 83 11.607 -4.125 6.114 1.00 0.35 O ATOM 1200 CB ARG A 83 13.347 -4.717 8.989 1.00 0.56 C ATOM 1201 CG ARG A 83 14.071 -5.752 8.113 1.00 0.92 C ATOM 1202 CD ARG A 83 13.178 -6.893 7.596 1.00 2.68 C ATOM 1203 NE ARG A 83 13.994 -7.949 6.974 1.00 3.12 N ATOM 1204 CZ ARG A 83 13.512 -9.034 6.353 1.00 4.42 C ATOM 1205 NH1 ARG A 83 14.351 -9.915 5.803 1.00 4.88 N ATOM 1206 NH2 ARG A 83 12.202 -9.244 6.278 1.00 5.57 N ATOM 0 H ARG A 83 12.286 -2.823 10.121 1.00 0.46 H new ATOM 0 HA ARG A 83 13.348 -3.137 7.547 1.00 0.44 H new ATOM 0 HB2 ARG A 83 14.074 -4.257 9.659 1.00 0.56 H new ATOM 0 HB3 ARG A 83 12.621 -5.236 9.615 1.00 0.56 H new ATOM 0 HG2 ARG A 83 14.513 -5.239 7.259 1.00 0.92 H new ATOM 0 HG3 ARG A 83 14.892 -6.183 8.686 1.00 0.92 H new ATOM 0 HD2 ARG A 83 12.599 -7.311 8.420 1.00 2.68 H new ATOM 0 HD3 ARG A 83 12.464 -6.503 6.871 1.00 2.68 H new ATOM 0 HE ARG A 83 15.008 -7.846 7.020 1.00 3.12 H new ATOM 0 HH11 ARG A 83 15.358 -9.762 5.856 1.00 4.88 H new ATOM 0 HH12 ARG A 83 13.985 -10.741 5.330 1.00 4.88 H new ATOM 0 HH21 ARG A 83 11.554 -8.576 6.695 1.00 5.57 H new ATOM 0 HH22 ARG A 83 11.845 -10.073 5.803 1.00 5.57 H new ATOM 1220 N ASP A 84 10.453 -4.702 7.938 1.00 0.34 N ATOM 1221 CA ASP A 84 9.397 -5.348 7.173 1.00 0.35 C ATOM 1222 C ASP A 84 8.554 -4.327 6.428 1.00 0.32 C ATOM 1223 O ASP A 84 7.974 -4.652 5.401 1.00 0.32 O ATOM 1224 CB ASP A 84 8.507 -6.234 8.047 1.00 0.46 C ATOM 1225 CG ASP A 84 9.057 -7.654 8.169 1.00 0.66 C ATOM 1226 OD1 ASP A 84 8.287 -8.527 8.619 1.00 1.29 O ATOM 1227 OD2 ASP A 84 10.221 -7.865 7.756 1.00 1.85 O ATOM 0 H ASP A 84 10.311 -4.710 8.948 1.00 0.34 H new ATOM 0 HA ASP A 84 9.890 -5.992 6.445 1.00 0.35 H new ATOM 0 HB2 ASP A 84 8.419 -5.793 9.040 1.00 0.46 H new ATOM 0 HB3 ASP A 84 7.503 -6.269 7.624 1.00 0.46 H new ATOM 1232 N LEU A 85 8.483 -3.084 6.893 1.00 0.34 N ATOM 1233 CA LEU A 85 7.843 -2.024 6.147 1.00 0.37 C ATOM 1234 C LEU A 85 8.613 -1.803 4.845 1.00 0.35 C ATOM 1235 O LEU A 85 8.016 -1.680 3.776 1.00 0.39 O ATOM 1236 CB LEU A 85 7.802 -0.795 7.056 1.00 0.40 C ATOM 1237 CG LEU A 85 7.198 0.452 6.423 1.00 0.47 C ATOM 1238 CD1 LEU A 85 5.817 0.160 5.834 1.00 0.62 C ATOM 1239 CD2 LEU A 85 7.074 1.502 7.526 1.00 0.53 C ATOM 0 H LEU A 85 8.867 -2.792 7.792 1.00 0.34 H new ATOM 0 HA LEU A 85 6.819 -2.263 5.859 1.00 0.37 H new ATOM 0 HB2 LEU A 85 7.232 -1.043 7.951 1.00 0.40 H new ATOM 0 HB3 LEU A 85 8.818 -0.565 7.378 1.00 0.40 H new ATOM 0 HG LEU A 85 7.834 0.801 5.609 1.00 0.47 H new ATOM 0 HD11 LEU A 85 5.411 1.069 5.389 1.00 0.62 H new ATOM 0 HD12 LEU A 85 5.904 -0.611 5.068 1.00 0.62 H new ATOM 0 HD13 LEU A 85 5.150 -0.186 6.624 1.00 0.62 H new ATOM 0 HD21 LEU A 85 6.644 2.414 7.113 1.00 0.53 H new ATOM 0 HD22 LEU A 85 6.429 1.123 8.318 1.00 0.53 H new ATOM 0 HD23 LEU A 85 8.061 1.719 7.935 1.00 0.53 H new ATOM 1251 N ALA A 86 9.947 -1.811 4.915 1.00 0.31 N ATOM 1252 CA ALA A 86 10.788 -1.680 3.739 1.00 0.31 C ATOM 1253 C ALA A 86 10.620 -2.899 2.836 1.00 0.33 C ATOM 1254 O ALA A 86 10.637 -2.770 1.617 1.00 0.39 O ATOM 1255 CB ALA A 86 12.249 -1.490 4.156 1.00 0.29 C ATOM 0 H ALA A 86 10.465 -1.908 5.788 1.00 0.31 H new ATOM 0 HA ALA A 86 10.483 -0.799 3.174 1.00 0.31 H new ATOM 0 HB1 ALA A 86 12.872 -1.393 3.267 1.00 0.29 H new ATOM 0 HB2 ALA A 86 12.340 -0.589 4.763 1.00 0.29 H new ATOM 0 HB3 ALA A 86 12.577 -2.353 4.736 1.00 0.29 H new ATOM 1261 N ALA A 87 10.455 -4.083 3.426 1.00 0.30 N ATOM 1262 CA ALA A 87 10.240 -5.320 2.697 1.00 0.30 C ATOM 1263 C ALA A 87 8.937 -5.256 1.900 1.00 0.32 C ATOM 1264 O ALA A 87 8.921 -5.595 0.721 1.00 0.34 O ATOM 1265 CB ALA A 87 10.227 -6.487 3.684 1.00 0.28 C ATOM 0 H ALA A 87 10.468 -4.205 4.439 1.00 0.30 H new ATOM 0 HA ALA A 87 11.051 -5.468 1.984 1.00 0.30 H new ATOM 0 HB1 ALA A 87 10.066 -7.419 3.143 1.00 0.28 H new ATOM 0 HB2 ALA A 87 11.182 -6.532 4.207 1.00 0.28 H new ATOM 0 HB3 ALA A 87 9.424 -6.343 4.407 1.00 0.28 H new ATOM 1271 N ALA A 88 7.854 -4.801 2.532 1.00 0.32 N ATOM 1272 CA ALA A 88 6.542 -4.682 1.921 1.00 0.35 C ATOM 1273 C ALA A 88 6.639 -3.752 0.718 1.00 0.33 C ATOM 1274 O ALA A 88 6.270 -4.130 -0.391 1.00 0.34 O ATOM 1275 CB ALA A 88 5.527 -4.175 2.954 1.00 0.36 C ATOM 0 H ALA A 88 7.872 -4.499 3.506 1.00 0.32 H new ATOM 0 HA ALA A 88 6.195 -5.656 1.576 1.00 0.35 H new ATOM 0 HB1 ALA A 88 4.546 -4.089 2.488 1.00 0.36 H new ATOM 0 HB2 ALA A 88 5.473 -4.877 3.786 1.00 0.36 H new ATOM 0 HB3 ALA A 88 5.841 -3.199 3.323 1.00 0.36 H new ATOM 1281 N TYR A 89 7.170 -2.543 0.911 1.00 0.31 N ATOM 1282 CA TYR A 89 7.354 -1.609 -0.188 1.00 0.33 C ATOM 1283 C TYR A 89 8.202 -2.209 -1.311 1.00 0.33 C ATOM 1284 O TYR A 89 7.853 -2.082 -2.482 1.00 0.34 O ATOM 1285 CB TYR A 89 8.012 -0.332 0.323 1.00 0.39 C ATOM 1286 CG TYR A 89 7.160 0.548 1.222 1.00 0.45 C ATOM 1287 CD1 TYR A 89 5.865 0.951 0.834 1.00 0.65 C ATOM 1288 CD2 TYR A 89 7.707 1.043 2.416 1.00 0.52 C ATOM 1289 CE1 TYR A 89 5.157 1.900 1.595 1.00 0.89 C ATOM 1290 CE2 TYR A 89 6.996 1.972 3.191 1.00 0.68 C ATOM 1291 CZ TYR A 89 5.731 2.429 2.774 1.00 0.89 C ATOM 1292 OH TYR A 89 5.080 3.375 3.510 1.00 1.16 O ATOM 0 H TYR A 89 7.478 -2.193 1.818 1.00 0.31 H new ATOM 0 HA TYR A 89 6.369 -1.383 -0.597 1.00 0.33 H new ATOM 0 HB2 TYR A 89 8.915 -0.606 0.868 1.00 0.39 H new ATOM 0 HB3 TYR A 89 8.326 0.259 -0.537 1.00 0.39 H new ATOM 0 HD1 TYR A 89 5.414 0.529 -0.052 1.00 0.65 H new ATOM 0 HD2 TYR A 89 8.681 0.707 2.740 1.00 0.52 H new ATOM 0 HE1 TYR A 89 4.176 2.224 1.279 1.00 0.89 H new ATOM 0 HE2 TYR A 89 7.422 2.339 4.113 1.00 0.68 H new ATOM 0 HH TYR A 89 4.564 2.939 4.220 1.00 1.16 H new ATOM 1302 N ARG A 90 9.322 -2.851 -0.980 1.00 0.35 N ATOM 1303 CA ARG A 90 10.209 -3.460 -1.966 1.00 0.35 C ATOM 1304 C ARG A 90 9.468 -4.508 -2.779 1.00 0.34 C ATOM 1305 O ARG A 90 9.663 -4.598 -3.989 1.00 0.35 O ATOM 1306 CB ARG A 90 11.462 -4.003 -1.273 1.00 0.39 C ATOM 1307 CG ARG A 90 12.445 -4.618 -2.274 1.00 0.43 C ATOM 1308 CD ARG A 90 13.808 -4.791 -1.596 1.00 0.99 C ATOM 1309 NE ARG A 90 14.707 -5.645 -2.386 1.00 1.34 N ATOM 1310 CZ ARG A 90 15.952 -5.977 -2.021 1.00 1.65 C ATOM 1311 NH1 ARG A 90 16.657 -6.843 -2.751 1.00 2.20 N ATOM 1312 NH2 ARG A 90 16.488 -5.446 -0.921 1.00 1.98 N ATOM 0 H ARG A 90 9.639 -2.963 -0.017 1.00 0.35 H new ATOM 0 HA ARG A 90 10.542 -2.706 -2.679 1.00 0.35 H new ATOM 0 HB2 ARG A 90 11.954 -3.197 -0.729 1.00 0.39 H new ATOM 0 HB3 ARG A 90 11.174 -4.755 -0.538 1.00 0.39 H new ATOM 0 HG2 ARG A 90 12.073 -5.582 -2.622 1.00 0.43 H new ATOM 0 HG3 ARG A 90 12.540 -3.977 -3.150 1.00 0.43 H new ATOM 0 HD2 ARG A 90 14.269 -3.814 -1.452 1.00 0.99 H new ATOM 0 HD3 ARG A 90 13.669 -5.227 -0.607 1.00 0.99 H new ATOM 0 HE ARG A 90 14.359 -6.010 -3.273 1.00 1.34 H new ATOM 0 HH11 ARG A 90 16.248 -7.254 -3.590 1.00 2.20 H new ATOM 0 HH12 ARG A 90 17.605 -7.094 -2.470 1.00 2.20 H new ATOM 0 HH21 ARG A 90 15.950 -4.787 -0.358 1.00 1.98 H new ATOM 0 HH22 ARG A 90 17.436 -5.699 -0.643 1.00 1.98 H new ATOM 1326 N ALA A 91 8.611 -5.290 -2.129 1.00 0.34 N ATOM 1327 CA ALA A 91 7.778 -6.249 -2.814 1.00 0.33 C ATOM 1328 C ALA A 91 6.847 -5.517 -3.778 1.00 0.38 C ATOM 1329 O ALA A 91 6.739 -5.924 -4.925 1.00 0.45 O ATOM 1330 CB ALA A 91 7.027 -7.111 -1.797 1.00 0.33 C ATOM 0 H ALA A 91 8.481 -5.270 -1.117 1.00 0.34 H new ATOM 0 HA ALA A 91 8.390 -6.928 -3.408 1.00 0.33 H new ATOM 0 HB1 ALA A 91 6.401 -7.832 -2.323 1.00 0.33 H new ATOM 0 HB2 ALA A 91 7.744 -7.642 -1.170 1.00 0.33 H new ATOM 0 HB3 ALA A 91 6.401 -6.474 -1.172 1.00 0.33 H new ATOM 1336 N VAL A 92 6.203 -4.421 -3.366 1.00 0.38 N ATOM 1337 CA VAL A 92 5.306 -3.693 -4.259 1.00 0.38 C ATOM 1338 C VAL A 92 6.054 -3.249 -5.509 1.00 0.38 C ATOM 1339 O VAL A 92 5.631 -3.575 -6.611 1.00 0.39 O ATOM 1340 CB VAL A 92 4.649 -2.498 -3.558 1.00 0.39 C ATOM 1341 CG1 VAL A 92 3.794 -1.714 -4.559 1.00 0.65 C ATOM 1342 CG2 VAL A 92 3.738 -2.964 -2.425 1.00 0.58 C ATOM 0 H VAL A 92 6.286 -4.024 -2.430 1.00 0.38 H new ATOM 0 HA VAL A 92 4.504 -4.371 -4.553 1.00 0.38 H new ATOM 0 HB VAL A 92 5.444 -1.871 -3.155 1.00 0.39 H new ATOM 0 HG11 VAL A 92 3.330 -0.866 -4.055 1.00 0.65 H new ATOM 0 HG12 VAL A 92 4.424 -1.353 -5.371 1.00 0.65 H new ATOM 0 HG13 VAL A 92 3.019 -2.365 -4.963 1.00 0.65 H new ATOM 0 HG21 VAL A 92 3.284 -2.098 -1.944 1.00 0.58 H new ATOM 0 HG22 VAL A 92 2.955 -3.607 -2.828 1.00 0.58 H new ATOM 0 HG23 VAL A 92 4.323 -3.521 -1.693 1.00 0.58 H new ATOM 1352 N ALA A 93 7.164 -2.527 -5.348 1.00 0.41 N ATOM 1353 CA ALA A 93 8.014 -2.074 -6.432 1.00 0.41 C ATOM 1354 C ALA A 93 8.379 -3.224 -7.367 1.00 0.39 C ATOM 1355 O ALA A 93 8.415 -3.054 -8.584 1.00 0.43 O ATOM 1356 CB ALA A 93 9.267 -1.448 -5.828 1.00 0.44 C ATOM 0 H ALA A 93 7.500 -2.237 -4.430 1.00 0.41 H new ATOM 0 HA ALA A 93 7.480 -1.336 -7.030 1.00 0.41 H new ATOM 0 HB1 ALA A 93 9.921 -1.100 -6.627 1.00 0.44 H new ATOM 0 HB2 ALA A 93 8.985 -0.605 -5.197 1.00 0.44 H new ATOM 0 HB3 ALA A 93 9.792 -2.191 -5.227 1.00 0.44 H new ATOM 1362 N ALA A 94 8.635 -4.406 -6.806 1.00 0.36 N ATOM 1363 CA ALA A 94 8.886 -5.576 -7.621 1.00 0.35 C ATOM 1364 C ALA A 94 7.671 -5.834 -8.501 1.00 0.36 C ATOM 1365 O ALA A 94 7.829 -5.932 -9.713 1.00 0.36 O ATOM 1366 CB ALA A 94 9.236 -6.797 -6.769 1.00 0.36 C ATOM 0 H ALA A 94 8.672 -4.570 -5.800 1.00 0.36 H new ATOM 0 HA ALA A 94 9.754 -5.389 -8.254 1.00 0.35 H new ATOM 0 HB1 ALA A 94 9.417 -7.654 -7.418 1.00 0.36 H new ATOM 0 HB2 ALA A 94 10.132 -6.588 -6.185 1.00 0.36 H new ATOM 0 HB3 ALA A 94 8.408 -7.020 -6.096 1.00 0.36 H new ATOM 1372 N GLU A 95 6.471 -5.921 -7.919 1.00 0.38 N ATOM 1373 CA GLU A 95 5.240 -6.184 -8.649 1.00 0.38 C ATOM 1374 C GLU A 95 4.968 -5.162 -9.754 1.00 0.36 C ATOM 1375 O GLU A 95 4.470 -5.548 -10.811 1.00 0.36 O ATOM 1376 CB GLU A 95 4.057 -6.338 -7.683 1.00 0.41 C ATOM 1377 CG GLU A 95 4.288 -7.511 -6.717 1.00 0.79 C ATOM 1378 CD GLU A 95 4.667 -8.797 -7.459 1.00 1.11 C ATOM 1379 OE1 GLU A 95 5.747 -9.353 -7.161 1.00 2.83 O ATOM 1380 OE2 GLU A 95 3.904 -9.179 -8.377 1.00 2.08 O ATOM 0 H GLU A 95 6.332 -5.808 -6.915 1.00 0.38 H new ATOM 0 HA GLU A 95 5.370 -7.134 -9.167 1.00 0.38 H new ATOM 0 HB2 GLU A 95 3.922 -5.416 -7.117 1.00 0.41 H new ATOM 0 HB3 GLU A 95 3.140 -6.502 -8.248 1.00 0.41 H new ATOM 0 HG2 GLU A 95 5.079 -7.251 -6.013 1.00 0.79 H new ATOM 0 HG3 GLU A 95 3.385 -7.682 -6.132 1.00 0.79 H new ATOM 1387 N ILE A 96 5.344 -3.891 -9.574 1.00 0.36 N ATOM 1388 CA ILE A 96 5.270 -2.881 -10.619 1.00 0.37 C ATOM 1389 C ILE A 96 5.997 -3.403 -11.855 1.00 0.35 C ATOM 1390 O ILE A 96 5.432 -3.473 -12.947 1.00 0.35 O ATOM 1391 CB ILE A 96 5.880 -1.556 -10.115 1.00 0.40 C ATOM 1392 CG1 ILE A 96 5.172 -1.113 -8.824 1.00 0.44 C ATOM 1393 CG2 ILE A 96 5.807 -0.471 -11.184 1.00 0.45 C ATOM 1394 CD1 ILE A 96 5.399 0.346 -8.401 1.00 1.63 C ATOM 0 H ILE A 96 5.710 -3.538 -8.690 1.00 0.36 H new ATOM 0 HA ILE A 96 4.232 -2.681 -10.883 1.00 0.37 H new ATOM 0 HB ILE A 96 6.935 -1.721 -9.896 1.00 0.40 H new ATOM 0 HG12 ILE A 96 4.101 -1.273 -8.947 1.00 0.44 H new ATOM 0 HG13 ILE A 96 5.500 -1.762 -8.012 1.00 0.44 H new ATOM 0 HG21 ILE A 96 6.245 0.450 -10.798 1.00 0.45 H new ATOM 0 HG22 ILE A 96 6.359 -0.793 -12.067 1.00 0.45 H new ATOM 0 HG23 ILE A 96 4.765 -0.293 -11.452 1.00 0.45 H new ATOM 0 HD11 ILE A 96 4.853 0.547 -7.479 1.00 1.63 H new ATOM 0 HD12 ILE A 96 6.463 0.516 -8.237 1.00 1.63 H new ATOM 0 HD13 ILE A 96 5.042 1.012 -9.186 1.00 1.63 H new ATOM 1406 N ASN A 97 7.267 -3.776 -11.688 1.00 0.34 N ATOM 1407 CA ASN A 97 8.062 -4.210 -12.825 1.00 0.39 C ATOM 1408 C ASN A 97 7.678 -5.628 -13.259 1.00 0.42 C ATOM 1409 O ASN A 97 7.897 -6.014 -14.402 1.00 0.55 O ATOM 1410 CB ASN A 97 9.554 -4.107 -12.489 1.00 0.47 C ATOM 1411 CG ASN A 97 10.352 -3.813 -13.752 1.00 1.56 C ATOM 1412 OD1 ASN A 97 10.076 -2.838 -14.436 1.00 2.61 O ATOM 1413 ND2 ASN A 97 11.359 -4.611 -14.075 1.00 1.89 N ATOM 0 H ASN A 97 7.755 -3.785 -10.792 1.00 0.34 H new ATOM 0 HA ASN A 97 7.855 -3.552 -13.669 1.00 0.39 H new ATOM 0 HB2 ASN A 97 9.716 -3.318 -11.754 1.00 0.47 H new ATOM 0 HB3 ASN A 97 9.899 -5.038 -12.039 1.00 0.47 H new ATOM 0 HD21 ASN A 97 11.918 -4.416 -14.906 1.00 1.89 H new ATOM 0 HD22 ASN A 97 11.575 -5.420 -13.493 1.00 1.89 H new ATOM 1420 N ARG A 98 7.103 -6.415 -12.346 1.00 0.39 N ATOM 1421 CA ARG A 98 6.767 -7.820 -12.559 1.00 0.43 C ATOM 1422 C ARG A 98 5.666 -7.913 -13.599 1.00 0.50 C ATOM 1423 O ARG A 98 5.770 -8.656 -14.568 1.00 0.68 O ATOM 1424 CB ARG A 98 6.332 -8.435 -11.219 1.00 0.47 C ATOM 1425 CG ARG A 98 6.401 -9.965 -11.173 1.00 0.67 C ATOM 1426 CD ARG A 98 6.815 -10.445 -9.767 1.00 1.23 C ATOM 1427 NE ARG A 98 7.931 -11.402 -9.819 1.00 1.92 N ATOM 1428 CZ ARG A 98 9.170 -11.115 -10.243 1.00 3.17 C ATOM 1429 NH1 ARG A 98 10.094 -12.076 -10.303 1.00 3.75 N ATOM 1430 NH2 ARG A 98 9.482 -9.874 -10.619 1.00 4.56 N ATOM 0 H ARG A 98 6.853 -6.081 -11.415 1.00 0.39 H new ATOM 0 HA ARG A 98 7.630 -8.375 -12.927 1.00 0.43 H new ATOM 0 HB2 ARG A 98 6.962 -8.031 -10.426 1.00 0.47 H new ATOM 0 HB3 ARG A 98 5.310 -8.123 -11.005 1.00 0.47 H new ATOM 0 HG2 ARG A 98 5.431 -10.387 -11.437 1.00 0.67 H new ATOM 0 HG3 ARG A 98 7.117 -10.325 -11.912 1.00 0.67 H new ATOM 0 HD2 ARG A 98 7.102 -9.586 -9.160 1.00 1.23 H new ATOM 0 HD3 ARG A 98 5.960 -10.911 -9.276 1.00 1.23 H new ATOM 0 HE ARG A 98 7.748 -12.356 -9.509 1.00 1.92 H new ATOM 0 HH11 ARG A 98 9.858 -13.029 -10.026 1.00 3.75 H new ATOM 0 HH12 ARG A 98 11.037 -11.858 -10.626 1.00 3.75 H new ATOM 0 HH21 ARG A 98 8.776 -9.138 -10.585 1.00 4.56 H new ATOM 0 HH22 ARG A 98 10.426 -9.661 -10.941 1.00 4.56 H new ATOM 1444 N LEU A 99 4.602 -7.146 -13.378 1.00 0.46 N ATOM 1445 CA LEU A 99 3.471 -7.076 -14.281 1.00 0.53 C ATOM 1446 C LEU A 99 3.725 -6.074 -15.408 1.00 0.52 C ATOM 1447 O LEU A 99 2.976 -6.068 -16.378 1.00 0.62 O ATOM 1448 CB LEU A 99 2.235 -6.673 -13.482 1.00 0.54 C ATOM 1449 CG LEU A 99 1.866 -7.673 -12.373 1.00 0.66 C ATOM 1450 CD1 LEU A 99 0.809 -7.013 -11.496 1.00 2.14 C ATOM 1451 CD2 LEU A 99 1.371 -9.004 -12.947 1.00 2.36 C ATOM 0 H LEU A 99 4.506 -6.551 -12.555 1.00 0.46 H new ATOM 0 HA LEU A 99 3.318 -8.052 -14.740 1.00 0.53 H new ATOM 0 HB2 LEU A 99 2.405 -5.694 -13.035 1.00 0.54 H new ATOM 0 HB3 LEU A 99 1.390 -6.570 -14.163 1.00 0.54 H new ATOM 0 HG LEU A 99 2.749 -7.916 -11.782 1.00 0.66 H new ATOM 0 HD11 LEU A 99 0.522 -7.695 -10.696 1.00 2.14 H new ATOM 0 HD12 LEU A 99 1.214 -6.098 -11.064 1.00 2.14 H new ATOM 0 HD13 LEU A 99 -0.066 -6.773 -12.099 1.00 2.14 H new ATOM 0 HD21 LEU A 99 1.121 -9.682 -12.131 1.00 2.36 H new ATOM 0 HD22 LEU A 99 0.485 -8.830 -13.558 1.00 2.36 H new ATOM 0 HD23 LEU A 99 2.154 -9.449 -13.561 1.00 2.36 H new ATOM 1463 N SER A 100 4.769 -5.242 -15.297 1.00 0.51 N ATOM 1464 CA SER A 100 5.120 -4.226 -16.284 1.00 0.54 C ATOM 1465 C SER A 100 4.013 -3.178 -16.404 1.00 0.52 C ATOM 1466 O SER A 100 3.456 -2.938 -17.473 1.00 0.78 O ATOM 1467 CB SER A 100 5.478 -4.883 -17.618 1.00 0.69 C ATOM 1468 OG SER A 100 6.519 -5.822 -17.422 1.00 0.88 O ATOM 0 H SER A 100 5.404 -5.261 -14.499 1.00 0.51 H new ATOM 0 HA SER A 100 6.009 -3.690 -15.950 1.00 0.54 H new ATOM 0 HB2 SER A 100 4.602 -5.378 -18.037 1.00 0.69 H new ATOM 0 HB3 SER A 100 5.790 -4.125 -18.336 1.00 0.69 H new ATOM 0 HG SER A 100 6.746 -6.243 -18.278 1.00 0.88 H new ATOM 1474 N ILE A 101 3.707 -2.548 -15.274 1.00 0.45 N ATOM 1475 CA ILE A 101 2.736 -1.478 -15.137 1.00 0.63 C ATOM 1476 C ILE A 101 3.347 -0.155 -15.593 1.00 0.49 C ATOM 1477 O ILE A 101 4.559 0.033 -15.516 1.00 0.50 O ATOM 1478 CB ILE A 101 2.337 -1.453 -13.653 1.00 1.05 C ATOM 1479 CG1 ILE A 101 1.225 -2.489 -13.443 1.00 1.15 C ATOM 1480 CG2 ILE A 101 1.884 -0.093 -13.126 1.00 2.70 C ATOM 1481 CD1 ILE A 101 1.390 -3.151 -12.081 1.00 0.81 C ATOM 0 H ILE A 101 4.154 -2.785 -14.388 1.00 0.45 H new ATOM 0 HA ILE A 101 1.856 -1.636 -15.760 1.00 0.63 H new ATOM 0 HB ILE A 101 3.236 -1.688 -13.082 1.00 1.05 H new ATOM 0 HG12 ILE A 101 0.249 -2.008 -13.508 1.00 1.15 H new ATOM 0 HG13 ILE A 101 1.262 -3.241 -14.231 1.00 1.15 H new ATOM 0 HG21 ILE A 101 1.624 -0.180 -12.071 1.00 2.70 H new ATOM 0 HG22 ILE A 101 2.691 0.630 -13.243 1.00 2.70 H new ATOM 0 HG23 ILE A 101 1.012 0.243 -13.688 1.00 2.70 H new ATOM 0 HD11 ILE A 101 0.598 -3.886 -11.935 1.00 0.81 H new ATOM 0 HD12 ILE A 101 2.359 -3.647 -12.033 1.00 0.81 H new ATOM 0 HD13 ILE A 101 1.330 -2.394 -11.299 1.00 0.81 H new ATOM 1493 N SER A 102 2.493 0.792 -15.992 1.00 0.51 N ATOM 1494 CA SER A 102 2.917 2.143 -16.337 1.00 0.53 C ATOM 1495 C SER A 102 2.541 3.146 -15.249 1.00 0.40 C ATOM 1496 O SER A 102 3.184 4.189 -15.140 1.00 0.43 O ATOM 1497 CB SER A 102 2.317 2.544 -17.685 1.00 0.74 C ATOM 1498 OG SER A 102 2.825 1.705 -18.703 1.00 1.00 O ATOM 0 H SER A 102 1.489 0.639 -16.083 1.00 0.51 H new ATOM 0 HA SER A 102 4.004 2.152 -16.416 1.00 0.53 H new ATOM 0 HB2 SER A 102 1.230 2.468 -17.647 1.00 0.74 H new ATOM 0 HB3 SER A 102 2.556 3.584 -17.905 1.00 0.74 H new ATOM 0 HG SER A 102 2.437 1.964 -19.565 1.00 1.00 H new ATOM 1504 N SER A 103 1.529 2.869 -14.426 1.00 0.38 N ATOM 1505 CA SER A 103 1.086 3.786 -13.392 1.00 0.34 C ATOM 1506 C SER A 103 0.328 3.035 -12.298 1.00 0.39 C ATOM 1507 O SER A 103 -0.532 2.206 -12.598 1.00 0.62 O ATOM 1508 CB SER A 103 0.216 4.853 -14.059 1.00 0.49 C ATOM 1509 OG SER A 103 -0.805 4.292 -14.867 1.00 1.36 O ATOM 0 H SER A 103 0.997 2.000 -14.463 1.00 0.38 H new ATOM 0 HA SER A 103 1.937 4.263 -12.907 1.00 0.34 H new ATOM 0 HB2 SER A 103 -0.236 5.481 -13.291 1.00 0.49 H new ATOM 0 HB3 SER A 103 0.845 5.500 -14.671 1.00 0.49 H new ATOM 0 HG SER A 103 -0.572 3.368 -15.094 1.00 1.36 H new ATOM 1515 N VAL A 104 0.642 3.314 -11.027 1.00 0.30 N ATOM 1516 CA VAL A 104 0.002 2.631 -9.911 1.00 0.33 C ATOM 1517 C VAL A 104 -0.171 3.576 -8.727 1.00 0.31 C ATOM 1518 O VAL A 104 0.666 4.447 -8.477 1.00 0.34 O ATOM 1519 CB VAL A 104 0.798 1.365 -9.551 1.00 0.40 C ATOM 1520 CG1 VAL A 104 2.311 1.575 -9.592 1.00 0.44 C ATOM 1521 CG2 VAL A 104 0.442 0.769 -8.184 1.00 0.39 C ATOM 0 H VAL A 104 1.336 4.009 -10.752 1.00 0.30 H new ATOM 0 HA VAL A 104 -1.000 2.315 -10.201 1.00 0.33 H new ATOM 0 HB VAL A 104 0.502 0.661 -10.328 1.00 0.40 H new ATOM 0 HG11 VAL A 104 2.815 0.645 -9.328 1.00 0.44 H new ATOM 0 HG12 VAL A 104 2.609 1.877 -10.596 1.00 0.44 H new ATOM 0 HG13 VAL A 104 2.590 2.353 -8.881 1.00 0.44 H new ATOM 0 HG21 VAL A 104 1.047 -0.120 -8.006 1.00 0.39 H new ATOM 0 HG22 VAL A 104 0.640 1.504 -7.404 1.00 0.39 H new ATOM 0 HG23 VAL A 104 -0.614 0.499 -8.169 1.00 0.39 H new ATOM 1531 N ALA A 105 -1.258 3.374 -7.979 1.00 0.29 N ATOM 1532 CA ALA A 105 -1.494 4.092 -6.739 1.00 0.28 C ATOM 1533 C ALA A 105 -0.885 3.314 -5.574 1.00 0.25 C ATOM 1534 O ALA A 105 -1.028 2.094 -5.508 1.00 0.29 O ATOM 1535 CB ALA A 105 -2.998 4.261 -6.554 1.00 0.35 C ATOM 0 H ALA A 105 -1.993 2.709 -8.221 1.00 0.29 H new ATOM 0 HA ALA A 105 -1.026 5.076 -6.772 1.00 0.28 H new ATOM 0 HB1 ALA A 105 -3.192 4.799 -5.626 1.00 0.35 H new ATOM 0 HB2 ALA A 105 -3.407 4.825 -7.393 1.00 0.35 H new ATOM 0 HB3 ALA A 105 -3.472 3.280 -6.511 1.00 0.35 H new ATOM 1541 N ILE A 106 -0.222 4.017 -4.654 1.00 0.26 N ATOM 1542 CA ILE A 106 0.583 3.457 -3.583 1.00 0.34 C ATOM 1543 C ILE A 106 0.250 4.203 -2.284 1.00 0.42 C ATOM 1544 O ILE A 106 0.517 5.396 -2.165 1.00 0.41 O ATOM 1545 CB ILE A 106 2.072 3.531 -3.987 1.00 0.36 C ATOM 1546 CG1 ILE A 106 2.999 2.959 -2.905 1.00 0.59 C ATOM 1547 CG2 ILE A 106 2.564 4.943 -4.335 1.00 0.36 C ATOM 1548 CD1 ILE A 106 2.985 1.435 -2.917 1.00 0.85 C ATOM 0 H ILE A 106 -0.236 5.037 -4.640 1.00 0.26 H new ATOM 0 HA ILE A 106 0.362 2.404 -3.408 1.00 0.34 H new ATOM 0 HB ILE A 106 2.121 2.922 -4.890 1.00 0.36 H new ATOM 0 HG12 ILE A 106 4.016 3.317 -3.067 1.00 0.59 H new ATOM 0 HG13 ILE A 106 2.686 3.321 -1.926 1.00 0.59 H new ATOM 0 HG21 ILE A 106 3.619 4.904 -4.607 1.00 0.36 H new ATOM 0 HG22 ILE A 106 1.987 5.333 -5.174 1.00 0.36 H new ATOM 0 HG23 ILE A 106 2.436 5.596 -3.472 1.00 0.36 H new ATOM 0 HD11 ILE A 106 3.651 1.059 -2.140 1.00 0.85 H new ATOM 0 HD12 ILE A 106 1.972 1.079 -2.730 1.00 0.85 H new ATOM 0 HD13 ILE A 106 3.322 1.076 -3.889 1.00 0.85 H new ATOM 1560 N PRO A 107 -0.387 3.554 -1.305 1.00 0.50 N ATOM 1561 CA PRO A 107 -0.773 4.224 -0.083 1.00 0.52 C ATOM 1562 C PRO A 107 0.373 4.237 0.925 1.00 0.54 C ATOM 1563 O PRO A 107 1.286 3.411 0.865 1.00 0.57 O ATOM 1564 CB PRO A 107 -1.972 3.444 0.439 1.00 0.51 C ATOM 1565 CG PRO A 107 -1.709 2.025 -0.060 1.00 0.50 C ATOM 1566 CD PRO A 107 -0.943 2.221 -1.370 1.00 0.52 C ATOM 0 HA PRO A 107 -1.022 5.271 -0.254 1.00 0.52 H new ATOM 0 HB2 PRO A 107 -2.035 3.483 1.526 1.00 0.51 H new ATOM 0 HB3 PRO A 107 -2.910 3.840 0.050 1.00 0.51 H new ATOM 0 HG2 PRO A 107 -1.125 1.452 0.660 1.00 0.50 H new ATOM 0 HG3 PRO A 107 -2.640 1.481 -0.221 1.00 0.50 H new ATOM 0 HD2 PRO A 107 -0.157 1.474 -1.479 1.00 0.52 H new ATOM 0 HD3 PRO A 107 -1.605 2.115 -2.230 1.00 0.52 H new ATOM 1574 N LEU A 108 0.319 5.159 1.888 1.00 0.60 N ATOM 1575 CA LEU A 108 1.305 5.218 2.950 1.00 0.61 C ATOM 1576 C LEU A 108 1.113 4.028 3.905 1.00 0.82 C ATOM 1577 O LEU A 108 0.347 4.112 4.863 1.00 1.11 O ATOM 1578 CB LEU A 108 1.218 6.600 3.638 1.00 0.67 C ATOM 1579 CG LEU A 108 2.470 6.975 4.452 1.00 0.71 C ATOM 1580 CD1 LEU A 108 2.553 6.180 5.751 1.00 0.87 C ATOM 1581 CD2 LEU A 108 3.703 6.781 3.575 1.00 0.87 C ATOM 0 H LEU A 108 -0.404 5.876 1.947 1.00 0.60 H new ATOM 0 HA LEU A 108 2.318 5.125 2.558 1.00 0.61 H new ATOM 0 HB2 LEU A 108 1.050 7.363 2.878 1.00 0.67 H new ATOM 0 HB3 LEU A 108 0.351 6.612 4.299 1.00 0.67 H new ATOM 0 HG LEU A 108 2.412 8.022 4.748 1.00 0.71 H new ATOM 0 HD11 LEU A 108 3.449 6.471 6.299 1.00 0.87 H new ATOM 0 HD12 LEU A 108 1.673 6.385 6.360 1.00 0.87 H new ATOM 0 HD13 LEU A 108 2.597 5.115 5.524 1.00 0.87 H new ATOM 0 HD21 LEU A 108 4.597 7.044 4.141 1.00 0.87 H new ATOM 0 HD22 LEU A 108 3.766 5.739 3.261 1.00 0.87 H new ATOM 0 HD23 LEU A 108 3.629 7.421 2.696 1.00 0.87 H new ATOM 1593 N LEU A 109 1.809 2.915 3.640 1.00 0.84 N ATOM 1594 CA LEU A 109 1.797 1.729 4.501 1.00 1.14 C ATOM 1595 C LEU A 109 2.246 2.083 5.914 1.00 1.34 C ATOM 1596 O LEU A 109 3.185 2.853 6.082 1.00 1.46 O ATOM 1597 CB LEU A 109 2.748 0.636 3.979 1.00 1.25 C ATOM 1598 CG LEU A 109 2.169 -0.346 2.960 1.00 1.43 C ATOM 1599 CD1 LEU A 109 1.174 -1.269 3.656 1.00 2.10 C ATOM 1600 CD2 LEU A 109 1.511 0.358 1.776 1.00 2.38 C ATOM 0 H LEU A 109 2.400 2.813 2.815 1.00 0.84 H new ATOM 0 HA LEU A 109 0.772 1.359 4.500 1.00 1.14 H new ATOM 0 HB2 LEU A 109 3.613 1.123 3.529 1.00 1.25 H new ATOM 0 HB3 LEU A 109 3.112 0.065 4.833 1.00 1.25 H new ATOM 0 HG LEU A 109 2.995 -0.930 2.553 1.00 1.43 H new ATOM 0 HD11 LEU A 109 0.760 -1.970 2.931 1.00 2.10 H new ATOM 0 HD12 LEU A 109 1.682 -1.822 4.446 1.00 2.10 H new ATOM 0 HD13 LEU A 109 0.368 -0.676 4.088 1.00 2.10 H new ATOM 0 HD21 LEU A 109 1.117 -0.386 1.084 1.00 2.38 H new ATOM 0 HD22 LEU A 109 0.697 0.988 2.134 1.00 2.38 H new ATOM 0 HD23 LEU A 109 2.249 0.975 1.264 1.00 2.38 H new ATOM 1612 N SER A 110 1.632 1.432 6.904 1.00 1.83 N ATOM 1613 CA SER A 110 1.769 1.733 8.320 1.00 1.95 C ATOM 1614 C SER A 110 1.156 3.106 8.608 1.00 1.86 C ATOM 1615 O SER A 110 1.854 4.090 8.838 1.00 2.68 O ATOM 1616 CB SER A 110 3.217 1.575 8.807 1.00 3.09 C ATOM 1617 OG SER A 110 3.227 1.147 10.163 1.00 4.20 O ATOM 0 H SER A 110 1.001 0.650 6.728 1.00 1.83 H new ATOM 0 HA SER A 110 1.210 1.002 8.904 1.00 1.95 H new ATOM 0 HB2 SER A 110 3.743 0.851 8.184 1.00 3.09 H new ATOM 0 HB3 SER A 110 3.748 2.522 8.712 1.00 3.09 H new ATOM 0 HG SER A 110 4.096 0.745 10.373 1.00 4.20 H new ATOM 1623 N THR A 111 -0.178 3.159 8.619 1.00 1.38 N ATOM 1624 CA THR A 111 -0.937 4.357 8.937 1.00 2.10 C ATOM 1625 C THR A 111 -2.183 3.964 9.736 1.00 1.97 C ATOM 1626 O THR A 111 -2.570 2.791 9.751 1.00 2.06 O ATOM 1627 CB THR A 111 -1.267 5.106 7.639 1.00 2.91 C ATOM 1628 OG1 THR A 111 -1.815 6.369 7.948 1.00 3.69 O ATOM 1629 CG2 THR A 111 -2.243 4.345 6.736 1.00 2.76 C ATOM 0 H THR A 111 -0.765 2.354 8.403 1.00 1.38 H new ATOM 0 HA THR A 111 -0.356 5.037 9.560 1.00 2.10 H new ATOM 0 HB THR A 111 -0.331 5.210 7.090 1.00 2.91 H new ATOM 0 HG1 THR A 111 -2.024 6.847 7.118 1.00 3.69 H new ATOM 0 HG21 THR A 111 -2.435 4.928 5.835 1.00 2.76 H new ATOM 0 HG22 THR A 111 -1.810 3.384 6.460 1.00 2.76 H new ATOM 0 HG23 THR A 111 -3.180 4.181 7.269 1.00 2.76 H new ATOM 1637 N GLY A 112 -2.825 4.946 10.373 1.00 2.75 N ATOM 1638 CA GLY A 112 -4.120 4.803 11.026 1.00 3.30 C ATOM 1639 C GLY A 112 -4.094 3.834 12.205 1.00 3.00 C ATOM 1640 O GLY A 112 -3.893 4.239 13.344 1.00 3.30 O ATOM 0 H GLY A 112 -2.443 5.889 10.449 1.00 2.75 H new ATOM 0 HA2 GLY A 112 -4.454 5.780 11.374 1.00 3.30 H new ATOM 0 HA3 GLY A 112 -4.852 4.458 10.296 1.00 3.30 H new ATOM 1644 N ILE A 113 -4.372 2.558 11.931 1.00 2.90 N ATOM 1645 CA ILE A 113 -4.418 1.488 12.925 1.00 2.90 C ATOM 1646 C ILE A 113 -2.993 1.050 13.273 1.00 2.63 C ATOM 1647 O ILE A 113 -2.724 0.599 14.384 1.00 2.99 O ATOM 1648 CB ILE A 113 -5.230 0.316 12.341 1.00 3.17 C ATOM 1649 CG1 ILE A 113 -6.692 0.738 12.088 1.00 4.87 C ATOM 1650 CG2 ILE A 113 -5.230 -0.925 13.247 1.00 3.18 C ATOM 1651 CD1 ILE A 113 -7.221 0.129 10.789 1.00 5.57 C ATOM 0 H ILE A 113 -4.577 2.233 10.986 1.00 2.90 H new ATOM 0 HA ILE A 113 -4.897 1.834 13.841 1.00 2.90 H new ATOM 0 HB ILE A 113 -4.740 0.052 11.404 1.00 3.17 H new ATOM 0 HG12 ILE A 113 -7.316 0.420 12.923 1.00 4.87 H new ATOM 0 HG13 ILE A 113 -6.757 1.825 12.037 1.00 4.87 H new ATOM 0 HG21 ILE A 113 -5.818 -1.716 12.781 1.00 3.18 H new ATOM 0 HG22 ILE A 113 -4.206 -1.271 13.390 1.00 3.18 H new ATOM 0 HG23 ILE A 113 -5.665 -0.670 14.213 1.00 3.18 H new ATOM 0 HD11 ILE A 113 -8.254 0.442 10.634 1.00 5.57 H new ATOM 0 HD12 ILE A 113 -6.610 0.468 9.953 1.00 5.57 H new ATOM 0 HD13 ILE A 113 -7.177 -0.958 10.853 1.00 5.57 H new ATOM 1663 N PHE A 114 -2.095 1.116 12.290 1.00 2.21 N ATOM 1664 CA PHE A 114 -0.687 0.824 12.476 1.00 2.12 C ATOM 1665 C PHE A 114 -0.013 2.054 13.100 1.00 2.27 C ATOM 1666 O PHE A 114 -0.668 2.833 13.785 1.00 4.04 O ATOM 1667 CB PHE A 114 -0.099 0.455 11.110 1.00 2.29 C ATOM 1668 CG PHE A 114 -0.721 -0.762 10.447 1.00 1.95 C ATOM 1669 CD1 PHE A 114 -1.670 -0.622 9.415 1.00 2.75 C ATOM 1670 CD2 PHE A 114 -0.305 -2.047 10.835 1.00 2.39 C ATOM 1671 CE1 PHE A 114 -2.184 -1.763 8.772 1.00 3.11 C ATOM 1672 CE2 PHE A 114 -0.815 -3.187 10.192 1.00 3.27 C ATOM 1673 CZ PHE A 114 -1.754 -3.046 9.157 1.00 3.31 C ATOM 0 H PHE A 114 -2.335 1.377 11.334 1.00 2.21 H new ATOM 0 HA PHE A 114 -0.524 -0.015 13.152 1.00 2.12 H new ATOM 0 HB2 PHE A 114 -0.209 1.309 10.442 1.00 2.29 H new ATOM 0 HB3 PHE A 114 0.970 0.278 11.228 1.00 2.29 H new ATOM 0 HD1 PHE A 114 -2.003 0.361 9.117 1.00 2.75 H new ATOM 0 HD2 PHE A 114 0.413 -2.159 11.634 1.00 2.39 H new ATOM 0 HE1 PHE A 114 -2.911 -1.654 7.981 1.00 3.11 H new ATOM 0 HE2 PHE A 114 -0.486 -4.170 10.493 1.00 3.27 H new ATOM 0 HZ PHE A 114 -2.145 -3.920 8.658 1.00 3.31 H new ATOM 1683 N SER A 115 1.298 2.236 12.897 1.00 1.46 N ATOM 1684 CA SER A 115 2.001 3.422 13.384 1.00 1.51 C ATOM 1685 C SER A 115 1.937 3.473 14.911 1.00 1.47 C ATOM 1686 O SER A 115 1.777 4.517 15.538 1.00 2.62 O ATOM 1687 CB SER A 115 1.423 4.684 12.736 1.00 1.83 C ATOM 1688 OG SER A 115 0.906 4.401 11.449 1.00 1.86 O ATOM 0 H SER A 115 1.891 1.574 12.397 1.00 1.46 H new ATOM 0 HA SER A 115 3.052 3.368 13.101 1.00 1.51 H new ATOM 0 HB2 SER A 115 0.634 5.093 13.367 1.00 1.83 H new ATOM 0 HB3 SER A 115 2.198 5.447 12.661 1.00 1.83 H new ATOM 0 HG SER A 115 1.631 4.437 10.790 1.00 1.86 H new ATOM 1694 N ALA A 116 2.073 2.303 15.531 1.00 0.96 N ATOM 1695 CA ALA A 116 2.101 2.176 16.970 1.00 0.79 C ATOM 1696 C ALA A 116 3.434 2.722 17.484 1.00 1.48 C ATOM 1697 O ALA A 116 4.383 1.966 17.671 1.00 2.32 O ATOM 1698 CB ALA A 116 1.886 0.706 17.317 1.00 1.12 C ATOM 0 H ALA A 116 2.167 1.415 15.037 1.00 0.96 H new ATOM 0 HA ALA A 116 1.311 2.752 17.451 1.00 0.79 H new ATOM 0 HB1 ALA A 116 1.903 0.582 18.400 1.00 1.12 H new ATOM 0 HB2 ALA A 116 0.922 0.378 16.929 1.00 1.12 H new ATOM 0 HB3 ALA A 116 2.680 0.107 16.871 1.00 1.12 H new ATOM 1704 N GLY A 117 3.519 4.040 17.674 1.00 1.90 N ATOM 1705 CA GLY A 117 4.691 4.707 18.225 1.00 2.76 C ATOM 1706 C GLY A 117 5.325 5.656 17.214 1.00 2.33 C ATOM 1707 O GLY A 117 5.726 6.762 17.565 1.00 2.39 O ATOM 0 H GLY A 117 2.760 4.681 17.444 1.00 1.90 H new ATOM 0 HA2 GLY A 117 4.407 5.263 19.118 1.00 2.76 H new ATOM 0 HA3 GLY A 117 5.423 3.961 18.533 1.00 2.76 H new ATOM 1711 N LYS A 118 5.448 5.232 15.954 1.00 2.12 N ATOM 1712 CA LYS A 118 5.944 6.079 14.884 1.00 1.88 C ATOM 1713 C LYS A 118 4.746 6.723 14.238 1.00 1.71 C ATOM 1714 O LYS A 118 3.737 6.052 14.098 1.00 2.28 O ATOM 1715 CB LYS A 118 6.648 5.208 13.840 1.00 2.17 C ATOM 1716 CG LYS A 118 7.931 4.598 14.397 1.00 3.34 C ATOM 1717 CD LYS A 118 8.915 5.715 14.735 1.00 4.35 C ATOM 1718 CE LYS A 118 10.285 5.092 14.961 1.00 5.35 C ATOM 1719 NZ LYS A 118 11.363 6.027 14.576 1.00 6.25 N ATOM 0 H LYS A 118 5.204 4.288 15.654 1.00 2.12 H new ATOM 0 HA LYS A 118 6.641 6.824 15.269 1.00 1.88 H new ATOM 0 HB2 LYS A 118 5.977 4.413 13.515 1.00 2.17 H new ATOM 0 HB3 LYS A 118 6.881 5.808 12.960 1.00 2.17 H new ATOM 0 HG2 LYS A 118 7.711 4.010 15.288 1.00 3.34 H new ATOM 0 HG3 LYS A 118 8.371 3.919 13.667 1.00 3.34 H new ATOM 0 HD2 LYS A 118 8.957 6.442 13.924 1.00 4.35 H new ATOM 0 HD3 LYS A 118 8.590 6.251 15.627 1.00 4.35 H new ATOM 0 HE2 LYS A 118 10.395 4.817 16.010 1.00 5.35 H new ATOM 0 HE3 LYS A 118 10.371 4.174 14.380 1.00 5.35 H new ATOM 0 HZ1 LYS A 118 12.287 5.578 14.740 1.00 6.25 H new ATOM 0 HZ2 LYS A 118 11.269 6.269 13.569 1.00 6.25 H new ATOM 0 HZ3 LYS A 118 11.292 6.893 15.148 1.00 6.25 H new ATOM 1733 N ASP A 119 4.859 7.971 13.794 1.00 2.14 N ATOM 1734 CA ASP A 119 3.752 8.622 13.115 1.00 2.45 C ATOM 1735 C ASP A 119 4.311 9.624 12.110 1.00 1.98 C ATOM 1736 O ASP A 119 4.390 10.820 12.377 1.00 2.81 O ATOM 1737 CB ASP A 119 2.824 9.276 14.149 1.00 3.60 C ATOM 1738 CG ASP A 119 1.473 9.583 13.515 1.00 4.40 C ATOM 1739 OD1 ASP A 119 1.034 10.751 13.578 1.00 5.43 O ATOM 1740 OD2 ASP A 119 0.906 8.623 12.951 1.00 4.81 O ATOM 0 H ASP A 119 5.697 8.544 13.892 1.00 2.14 H new ATOM 0 HA ASP A 119 3.153 7.897 12.564 1.00 2.45 H new ATOM 0 HB2 ASP A 119 2.692 8.612 15.003 1.00 3.60 H new ATOM 0 HB3 ASP A 119 3.275 10.194 14.526 1.00 3.60 H new ATOM 1745 N ARG A 120 4.788 9.139 10.959 1.00 1.24 N ATOM 1746 CA ARG A 120 5.282 10.022 9.909 1.00 0.95 C ATOM 1747 C ARG A 120 5.119 9.366 8.549 1.00 0.70 C ATOM 1748 O ARG A 120 5.704 8.317 8.262 1.00 0.67 O ATOM 1749 CB ARG A 120 6.757 10.401 10.133 1.00 1.40 C ATOM 1750 CG ARG A 120 6.926 11.768 10.813 1.00 1.90 C ATOM 1751 CD ARG A 120 7.471 11.658 12.235 1.00 2.50 C ATOM 1752 NE ARG A 120 7.673 12.995 12.809 1.00 2.72 N ATOM 1753 CZ ARG A 120 8.077 13.249 14.058 1.00 3.26 C ATOM 1754 NH1 ARG A 120 8.226 14.510 14.469 1.00 3.65 N ATOM 1755 NH2 ARG A 120 8.335 12.241 14.890 1.00 4.04 N ATOM 0 H ARG A 120 4.841 8.145 10.736 1.00 1.24 H new ATOM 0 HA ARG A 120 4.690 10.937 9.944 1.00 0.95 H new ATOM 0 HB2 ARG A 120 7.235 9.635 10.744 1.00 1.40 H new ATOM 0 HB3 ARG A 120 7.274 10.412 9.173 1.00 1.40 H new ATOM 0 HG2 ARG A 120 7.599 12.384 10.217 1.00 1.90 H new ATOM 0 HG3 ARG A 120 5.963 12.279 10.836 1.00 1.90 H new ATOM 0 HD2 ARG A 120 6.777 11.090 12.855 1.00 2.50 H new ATOM 0 HD3 ARG A 120 8.414 11.111 12.229 1.00 2.50 H new ATOM 0 HE ARG A 120 7.490 13.796 12.205 1.00 2.72 H new ATOM 0 HH11 ARG A 120 8.032 15.281 13.830 1.00 3.65 H new ATOM 0 HH12 ARG A 120 8.534 14.703 15.422 1.00 3.65 H new ATOM 0 HH21 ARG A 120 8.224 11.278 14.574 1.00 4.04 H new ATOM 0 HH22 ARG A 120 8.643 12.433 15.843 1.00 4.04 H new ATOM 1769 N VAL A 121 4.393 10.047 7.668 1.00 0.62 N ATOM 1770 CA VAL A 121 4.318 9.643 6.281 1.00 0.51 C ATOM 1771 C VAL A 121 5.698 9.713 5.663 1.00 0.47 C ATOM 1772 O VAL A 121 6.128 8.752 5.049 1.00 0.53 O ATOM 1773 CB VAL A 121 3.272 10.460 5.519 1.00 0.52 C ATOM 1774 CG1 VAL A 121 1.961 10.364 6.299 1.00 0.64 C ATOM 1775 CG2 VAL A 121 3.678 11.916 5.337 1.00 0.49 C ATOM 0 H VAL A 121 3.851 10.880 7.896 1.00 0.62 H new ATOM 0 HA VAL A 121 3.981 8.608 6.218 1.00 0.51 H new ATOM 0 HB VAL A 121 3.167 10.053 4.513 1.00 0.52 H new ATOM 0 HG11 VAL A 121 1.189 10.936 5.785 1.00 0.64 H new ATOM 0 HG12 VAL A 121 1.654 9.320 6.368 1.00 0.64 H new ATOM 0 HG13 VAL A 121 2.104 10.767 7.302 1.00 0.64 H new ATOM 0 HG21 VAL A 121 2.898 12.446 4.790 1.00 0.49 H new ATOM 0 HG22 VAL A 121 3.816 12.380 6.314 1.00 0.49 H new ATOM 0 HG23 VAL A 121 4.612 11.966 4.777 1.00 0.49 H new ATOM 1785 N HIS A 122 6.441 10.801 5.859 1.00 0.51 N ATOM 1786 CA HIS A 122 7.747 10.899 5.222 1.00 0.69 C ATOM 1787 C HIS A 122 8.689 9.778 5.677 1.00 0.59 C ATOM 1788 O HIS A 122 9.651 9.485 4.978 1.00 0.66 O ATOM 1789 CB HIS A 122 8.382 12.283 5.423 1.00 1.06 C ATOM 1790 CG HIS A 122 9.207 12.400 6.678 1.00 1.20 C ATOM 1791 ND1 HIS A 122 10.432 11.802 6.887 1.00 2.10 N ATOM 1792 CD2 HIS A 122 8.865 13.068 7.820 1.00 2.54 C ATOM 1793 CE1 HIS A 122 10.810 12.096 8.143 1.00 2.95 C ATOM 1794 NE2 HIS A 122 9.887 12.863 8.749 1.00 3.37 N ATOM 0 H HIS A 122 6.172 11.600 6.433 1.00 0.51 H new ATOM 0 HA HIS A 122 7.585 10.772 4.152 1.00 0.69 H new ATOM 0 HB2 HIS A 122 9.012 12.511 4.563 1.00 1.06 H new ATOM 0 HB3 HIS A 122 7.592 13.034 5.448 1.00 1.06 H new ATOM 0 HD2 HIS A 122 7.968 13.649 7.976 1.00 2.54 H new ATOM 0 HE1 HIS A 122 11.729 11.762 8.602 1.00 2.95 H new ATOM 0 HE2 HIS A 122 9.926 13.225 9.702 1.00 3.37 H new ATOM 1802 N GLN A 123 8.462 9.177 6.853 1.00 0.55 N ATOM 1803 CA GLN A 123 9.312 8.081 7.306 1.00 0.61 C ATOM 1804 C GLN A 123 8.954 6.863 6.472 1.00 0.58 C ATOM 1805 O GLN A 123 9.825 6.174 5.947 1.00 0.63 O ATOM 1806 CB GLN A 123 9.124 7.791 8.810 1.00 0.79 C ATOM 1807 CG GLN A 123 10.128 6.728 9.307 1.00 1.18 C ATOM 1808 CD GLN A 123 9.873 6.264 10.747 1.00 1.79 C ATOM 1809 OE1 GLN A 123 9.863 7.065 11.681 1.00 2.64 O ATOM 1810 NE2 GLN A 123 9.700 4.966 10.979 1.00 2.84 N ATOM 0 H GLN A 123 7.710 9.429 7.494 1.00 0.55 H new ATOM 0 HA GLN A 123 10.361 8.347 7.178 1.00 0.61 H new ATOM 0 HB2 GLN A 123 9.255 8.712 9.379 1.00 0.79 H new ATOM 0 HB3 GLN A 123 8.106 7.446 8.991 1.00 0.79 H new ATOM 0 HG2 GLN A 123 10.087 5.864 8.644 1.00 1.18 H new ATOM 0 HG3 GLN A 123 11.137 7.134 9.239 1.00 1.18 H new ATOM 0 HE21 GLN A 123 9.709 4.304 10.203 1.00 2.84 H new ATOM 0 HE22 GLN A 123 9.559 4.633 11.933 1.00 2.84 H new ATOM 1819 N SER A 124 7.656 6.587 6.350 1.00 0.58 N ATOM 1820 CA SER A 124 7.232 5.350 5.732 1.00 0.66 C ATOM 1821 C SER A 124 7.528 5.437 4.234 1.00 0.65 C ATOM 1822 O SER A 124 8.235 4.603 3.674 1.00 0.82 O ATOM 1823 CB SER A 124 5.763 5.122 6.080 1.00 0.78 C ATOM 1824 OG SER A 124 5.573 5.309 7.473 1.00 1.45 O ATOM 0 H SER A 124 6.900 7.195 6.666 1.00 0.58 H new ATOM 0 HA SER A 124 7.774 4.480 6.102 1.00 0.66 H new ATOM 0 HB2 SER A 124 5.134 5.814 5.520 1.00 0.78 H new ATOM 0 HB3 SER A 124 5.462 4.114 5.793 1.00 0.78 H new ATOM 0 HG SER A 124 5.510 6.267 7.669 1.00 1.45 H new ATOM 1830 N LEU A 125 7.078 6.511 3.584 1.00 0.61 N ATOM 1831 CA LEU A 125 7.351 6.758 2.183 1.00 0.79 C ATOM 1832 C LEU A 125 8.840 6.889 1.900 1.00 0.64 C ATOM 1833 O LEU A 125 9.225 6.668 0.766 1.00 0.71 O ATOM 1834 CB LEU A 125 6.557 7.949 1.620 1.00 1.09 C ATOM 1835 CG LEU A 125 7.217 9.321 1.804 1.00 1.09 C ATOM 1836 CD1 LEU A 125 8.080 9.758 0.619 1.00 2.45 C ATOM 1837 CD2 LEU A 125 6.116 10.374 1.950 1.00 1.59 C ATOM 0 H LEU A 125 6.510 7.234 4.026 1.00 0.61 H new ATOM 0 HA LEU A 125 7.000 5.874 1.651 1.00 0.79 H new ATOM 0 HB2 LEU A 125 6.391 7.784 0.555 1.00 1.09 H new ATOM 0 HB3 LEU A 125 5.577 7.969 2.096 1.00 1.09 H new ATOM 0 HG LEU A 125 7.859 9.234 2.680 1.00 1.09 H new ATOM 0 HD11 LEU A 125 8.512 10.737 0.825 1.00 2.45 H new ATOM 0 HD12 LEU A 125 8.880 9.034 0.465 1.00 2.45 H new ATOM 0 HD13 LEU A 125 7.464 9.815 -0.278 1.00 2.45 H new ATOM 0 HD21 LEU A 125 6.568 11.357 2.082 1.00 1.59 H new ATOM 0 HD22 LEU A 125 5.495 10.377 1.054 1.00 1.59 H new ATOM 0 HD23 LEU A 125 5.500 10.138 2.818 1.00 1.59 H new ATOM 1849 N SER A 126 9.707 7.225 2.860 1.00 0.49 N ATOM 1850 CA SER A 126 11.139 7.135 2.580 1.00 0.49 C ATOM 1851 C SER A 126 11.499 5.705 2.171 1.00 0.46 C ATOM 1852 O SER A 126 12.232 5.500 1.202 1.00 0.49 O ATOM 1853 CB SER A 126 11.978 7.602 3.775 1.00 0.56 C ATOM 1854 OG SER A 126 12.365 8.952 3.604 1.00 0.99 O ATOM 0 H SER A 126 9.458 7.547 3.795 1.00 0.49 H new ATOM 0 HA SER A 126 11.371 7.804 1.751 1.00 0.49 H new ATOM 0 HB2 SER A 126 11.404 7.495 4.695 1.00 0.56 H new ATOM 0 HB3 SER A 126 12.862 6.973 3.876 1.00 0.56 H new ATOM 0 HG SER A 126 11.661 9.540 3.948 1.00 0.99 H new ATOM 1860 N HIS A 127 10.973 4.708 2.885 1.00 0.44 N ATOM 1861 CA HIS A 127 11.205 3.320 2.517 1.00 0.43 C ATOM 1862 C HIS A 127 10.492 2.977 1.207 1.00 0.46 C ATOM 1863 O HIS A 127 11.023 2.191 0.425 1.00 0.55 O ATOM 1864 CB HIS A 127 10.801 2.385 3.660 1.00 0.46 C ATOM 1865 CG HIS A 127 11.627 2.607 4.901 1.00 0.61 C ATOM 1866 ND1 HIS A 127 12.971 2.329 5.033 1.00 0.92 N ATOM 1867 CD2 HIS A 127 11.196 3.153 6.080 1.00 0.77 C ATOM 1868 CE1 HIS A 127 13.336 2.699 6.273 1.00 1.00 C ATOM 1869 NE2 HIS A 127 12.293 3.212 6.943 1.00 0.93 N ATOM 0 H HIS A 127 10.390 4.838 3.712 1.00 0.44 H new ATOM 0 HA HIS A 127 12.272 3.177 2.345 1.00 0.43 H new ATOM 0 HB2 HIS A 127 9.748 2.537 3.896 1.00 0.46 H new ATOM 0 HB3 HIS A 127 10.909 1.350 3.335 1.00 0.46 H new ATOM 0 HD2 HIS A 127 10.191 3.479 6.303 1.00 0.77 H new ATOM 0 HE1 HIS A 127 14.333 2.597 6.675 1.00 1.00 H new ATOM 0 HE2 HIS A 127 12.300 3.574 7.896 1.00 0.93 H new ATOM 1877 N LEU A 128 9.315 3.563 0.946 1.00 0.49 N ATOM 1878 CA LEU A 128 8.648 3.391 -0.342 1.00 0.66 C ATOM 1879 C LEU A 128 9.552 3.876 -1.461 1.00 0.79 C ATOM 1880 O LEU A 128 10.002 3.063 -2.253 1.00 1.05 O ATOM 1881 CB LEU A 128 7.276 4.078 -0.385 1.00 0.87 C ATOM 1882 CG LEU A 128 6.454 3.843 -1.671 1.00 1.20 C ATOM 1883 CD1 LEU A 128 6.667 4.963 -2.695 1.00 2.33 C ATOM 1884 CD2 LEU A 128 6.691 2.491 -2.360 1.00 2.11 C ATOM 0 H LEU A 128 8.812 4.155 1.607 1.00 0.49 H new ATOM 0 HA LEU A 128 8.458 2.327 -0.482 1.00 0.66 H new ATOM 0 HB2 LEU A 128 6.690 3.734 0.467 1.00 0.87 H new ATOM 0 HB3 LEU A 128 7.422 5.151 -0.259 1.00 0.87 H new ATOM 0 HG LEU A 128 5.423 3.840 -1.316 1.00 1.20 H new ATOM 0 HD11 LEU A 128 6.071 4.760 -3.585 1.00 2.33 H new ATOM 0 HD12 LEU A 128 6.360 5.915 -2.262 1.00 2.33 H new ATOM 0 HD13 LEU A 128 7.721 5.011 -2.967 1.00 2.33 H new ATOM 0 HD21 LEU A 128 6.068 2.423 -3.252 1.00 2.11 H new ATOM 0 HD22 LEU A 128 7.740 2.406 -2.643 1.00 2.11 H new ATOM 0 HD23 LEU A 128 6.433 1.683 -1.675 1.00 2.11 H new ATOM 1896 N LEU A 129 9.811 5.180 -1.546 1.00 0.72 N ATOM 1897 CA LEU A 129 10.593 5.809 -2.599 1.00 0.78 C ATOM 1898 C LEU A 129 11.862 5.022 -2.899 1.00 0.77 C ATOM 1899 O LEU A 129 12.133 4.768 -4.062 1.00 0.84 O ATOM 1900 CB LEU A 129 10.908 7.269 -2.247 1.00 0.79 C ATOM 1901 CG LEU A 129 9.691 8.209 -2.308 1.00 0.78 C ATOM 1902 CD1 LEU A 129 10.153 9.637 -2.005 1.00 1.40 C ATOM 1903 CD2 LEU A 129 9.020 8.211 -3.684 1.00 1.49 C ATOM 0 H LEU A 129 9.468 5.848 -0.856 1.00 0.72 H new ATOM 0 HA LEU A 129 9.991 5.806 -3.508 1.00 0.78 H new ATOM 0 HB2 LEU A 129 11.332 7.306 -1.243 1.00 0.79 H new ATOM 0 HB3 LEU A 129 11.673 7.639 -2.930 1.00 0.79 H new ATOM 0 HG LEU A 129 8.967 7.851 -1.576 1.00 0.78 H new ATOM 0 HD11 LEU A 129 9.298 10.312 -2.046 1.00 1.40 H new ATOM 0 HD12 LEU A 129 10.597 9.672 -1.010 1.00 1.40 H new ATOM 0 HD13 LEU A 129 10.893 9.944 -2.744 1.00 1.40 H new ATOM 0 HD21 LEU A 129 8.168 8.890 -3.672 1.00 1.49 H new ATOM 0 HD22 LEU A 129 9.736 8.540 -4.437 1.00 1.49 H new ATOM 0 HD23 LEU A 129 8.678 7.204 -3.924 1.00 1.49 H new ATOM 1915 N ALA A 130 12.619 4.593 -1.886 1.00 0.72 N ATOM 1916 CA ALA A 130 13.841 3.825 -2.115 1.00 0.75 C ATOM 1917 C ALA A 130 13.614 2.608 -3.030 1.00 0.79 C ATOM 1918 O ALA A 130 14.416 2.321 -3.913 1.00 0.91 O ATOM 1919 CB ALA A 130 14.421 3.396 -0.764 1.00 0.75 C ATOM 0 H ALA A 130 12.407 4.765 -0.903 1.00 0.72 H new ATOM 0 HA ALA A 130 14.552 4.465 -2.637 1.00 0.75 H new ATOM 0 HB1 ALA A 130 15.333 2.822 -0.926 1.00 0.75 H new ATOM 0 HB2 ALA A 130 14.649 4.280 -0.169 1.00 0.75 H new ATOM 0 HB3 ALA A 130 13.694 2.780 -0.235 1.00 0.75 H new ATOM 1925 N ALA A 131 12.532 1.870 -2.801 1.00 0.79 N ATOM 1926 CA ALA A 131 12.121 0.713 -3.574 1.00 0.85 C ATOM 1927 C ALA A 131 11.475 1.109 -4.897 1.00 0.74 C ATOM 1928 O ALA A 131 11.694 0.473 -5.913 1.00 0.65 O ATOM 1929 CB ALA A 131 11.087 -0.060 -2.766 1.00 0.93 C ATOM 0 H ALA A 131 11.891 2.076 -2.035 1.00 0.79 H new ATOM 0 HA ALA A 131 13.009 0.117 -3.786 1.00 0.85 H new ATOM 0 HB1 ALA A 131 10.764 -0.935 -3.330 1.00 0.93 H new ATOM 0 HB2 ALA A 131 11.528 -0.379 -1.822 1.00 0.93 H new ATOM 0 HB3 ALA A 131 10.228 0.580 -2.567 1.00 0.93 H new ATOM 1935 N MET A 132 10.608 2.109 -4.891 1.00 0.81 N ATOM 1936 CA MET A 132 9.880 2.574 -6.057 1.00 0.82 C ATOM 1937 C MET A 132 10.841 3.152 -7.089 1.00 0.85 C ATOM 1938 O MET A 132 10.534 3.140 -8.278 1.00 0.83 O ATOM 1939 CB MET A 132 8.813 3.564 -5.585 1.00 1.02 C ATOM 1940 CG MET A 132 8.517 4.729 -6.525 1.00 2.50 C ATOM 1941 SD MET A 132 9.725 6.079 -6.394 1.00 4.92 S ATOM 1942 CE MET A 132 10.061 6.428 -8.137 1.00 6.21 C ATOM 0 H MET A 132 10.386 2.635 -4.046 1.00 0.81 H new ATOM 0 HA MET A 132 9.374 1.752 -6.563 1.00 0.82 H new ATOM 0 HB2 MET A 132 7.886 3.015 -5.416 1.00 1.02 H new ATOM 0 HB3 MET A 132 9.123 3.970 -4.622 1.00 1.02 H new ATOM 0 HG2 MET A 132 8.500 4.364 -7.552 1.00 2.50 H new ATOM 0 HG3 MET A 132 7.522 5.118 -6.309 1.00 2.50 H new ATOM 0 HE1 MET A 132 11.111 6.693 -8.259 1.00 6.21 H new ATOM 0 HE2 MET A 132 9.838 5.544 -8.735 1.00 6.21 H new ATOM 0 HE3 MET A 132 9.437 7.257 -8.469 1.00 6.21 H new ATOM 1952 N ASP A 133 12.012 3.613 -6.648 1.00 0.94 N ATOM 1953 CA ASP A 133 13.060 4.139 -7.513 1.00 1.01 C ATOM 1954 C ASP A 133 13.621 3.036 -8.409 1.00 0.96 C ATOM 1955 O ASP A 133 14.242 3.304 -9.433 1.00 1.12 O ATOM 1956 CB ASP A 133 14.170 4.753 -6.655 1.00 1.11 C ATOM 1957 CG ASP A 133 15.138 5.579 -7.501 1.00 1.21 C ATOM 1958 OD1 ASP A 133 16.361 5.344 -7.373 1.00 2.55 O ATOM 1959 OD2 ASP A 133 14.637 6.471 -8.221 1.00 1.73 O ATOM 0 H ASP A 133 12.260 3.630 -5.659 1.00 0.94 H new ATOM 0 HA ASP A 133 12.638 4.911 -8.156 1.00 1.01 H new ATOM 0 HB2 ASP A 133 13.728 5.385 -5.884 1.00 1.11 H new ATOM 0 HB3 ASP A 133 14.717 3.961 -6.144 1.00 1.11 H new ATOM 1964 N THR A 134 13.393 1.771 -8.044 1.00 0.81 N ATOM 1965 CA THR A 134 13.822 0.647 -8.857 1.00 0.80 C ATOM 1966 C THR A 134 12.905 0.481 -10.080 1.00 0.86 C ATOM 1967 O THR A 134 13.259 -0.232 -11.018 1.00 1.32 O ATOM 1968 CB THR A 134 13.879 -0.636 -8.007 1.00 0.84 C ATOM 1969 OG1 THR A 134 12.588 -1.187 -7.862 1.00 0.94 O ATOM 1970 CG2 THR A 134 14.532 -0.427 -6.622 1.00 0.97 C ATOM 0 H THR A 134 12.911 1.507 -7.185 1.00 0.81 H new ATOM 0 HA THR A 134 14.827 0.843 -9.229 1.00 0.80 H new ATOM 0 HB THR A 134 14.519 -1.334 -8.547 1.00 0.84 H new ATOM 0 HG1 THR A 134 12.098 -0.695 -7.170 1.00 0.94 H new ATOM 0 HG21 THR A 134 14.539 -1.371 -6.077 1.00 0.97 H new ATOM 0 HG22 THR A 134 15.555 -0.075 -6.752 1.00 0.97 H new ATOM 0 HG23 THR A 134 13.963 0.313 -6.059 1.00 0.97 H new ATOM 1978 N THR A 135 11.722 1.109 -10.075 1.00 0.57 N ATOM 1979 CA THR A 135 10.719 0.973 -11.118 1.00 0.61 C ATOM 1980 C THR A 135 10.740 2.211 -12.022 1.00 0.70 C ATOM 1981 O THR A 135 11.500 3.149 -11.788 1.00 0.81 O ATOM 1982 CB THR A 135 9.336 0.756 -10.471 1.00 0.57 C ATOM 1983 OG1 THR A 135 8.677 1.976 -10.195 1.00 0.51 O ATOM 1984 CG2 THR A 135 9.404 -0.037 -9.161 1.00 0.67 C ATOM 0 H THR A 135 11.437 1.738 -9.324 1.00 0.57 H new ATOM 0 HA THR A 135 10.939 0.107 -11.742 1.00 0.61 H new ATOM 0 HB THR A 135 8.777 0.184 -11.212 1.00 0.57 H new ATOM 0 HG1 THR A 135 9.199 2.490 -9.544 1.00 0.51 H new ATOM 0 HG21 THR A 135 8.399 -0.156 -8.755 1.00 0.67 H new ATOM 0 HG22 THR A 135 9.837 -1.019 -9.352 1.00 0.67 H new ATOM 0 HG23 THR A 135 10.024 0.499 -8.443 1.00 0.67 H new ATOM 1992 N GLU A 136 9.865 2.263 -13.029 1.00 0.87 N ATOM 1993 CA GLU A 136 9.734 3.452 -13.863 1.00 1.15 C ATOM 1994 C GLU A 136 8.285 3.927 -13.985 1.00 1.14 C ATOM 1995 O GLU A 136 8.009 4.828 -14.774 1.00 1.65 O ATOM 1996 CB GLU A 136 10.377 3.201 -15.233 1.00 1.60 C ATOM 1997 CG GLU A 136 9.716 2.058 -16.016 1.00 2.30 C ATOM 1998 CD GLU A 136 10.117 2.124 -17.490 1.00 2.78 C ATOM 1999 OE1 GLU A 136 9.202 2.081 -18.341 1.00 4.14 O ATOM 2000 OE2 GLU A 136 11.335 2.266 -17.744 1.00 2.36 O ATOM 0 H GLU A 136 9.241 1.497 -13.283 1.00 0.87 H new ATOM 0 HA GLU A 136 10.268 4.267 -13.374 1.00 1.15 H new ATOM 0 HB2 GLU A 136 10.323 4.115 -15.824 1.00 1.60 H new ATOM 0 HB3 GLU A 136 11.434 2.973 -15.094 1.00 1.60 H new ATOM 0 HG2 GLU A 136 10.014 1.098 -15.593 1.00 2.30 H new ATOM 0 HG3 GLU A 136 8.632 2.124 -15.924 1.00 2.30 H new ATOM 2007 N ALA A 137 7.358 3.359 -13.207 1.00 0.63 N ATOM 2008 CA ALA A 137 5.948 3.710 -13.347 1.00 0.57 C ATOM 2009 C ALA A 137 5.623 5.011 -12.604 1.00 0.58 C ATOM 2010 O ALA A 137 6.391 5.468 -11.760 1.00 0.71 O ATOM 2011 CB ALA A 137 5.091 2.555 -12.825 1.00 0.55 C ATOM 0 H ALA A 137 7.557 2.666 -12.486 1.00 0.63 H new ATOM 0 HA ALA A 137 5.726 3.878 -14.401 1.00 0.57 H new ATOM 0 HB1 ALA A 137 4.036 2.810 -12.926 1.00 0.55 H new ATOM 0 HB2 ALA A 137 5.304 1.655 -13.401 1.00 0.55 H new ATOM 0 HB3 ALA A 137 5.322 2.376 -11.775 1.00 0.55 H new ATOM 2017 N ARG A 138 4.461 5.610 -12.888 1.00 0.53 N ATOM 2018 CA ARG A 138 3.979 6.752 -12.117 1.00 0.58 C ATOM 2019 C ARG A 138 3.755 6.322 -10.675 1.00 0.53 C ATOM 2020 O ARG A 138 3.372 5.179 -10.424 1.00 0.50 O ATOM 2021 CB ARG A 138 2.660 7.303 -12.666 1.00 0.67 C ATOM 2022 CG ARG A 138 2.738 7.691 -14.142 1.00 1.40 C ATOM 2023 CD ARG A 138 1.409 8.334 -14.544 1.00 1.79 C ATOM 2024 NE ARG A 138 1.313 8.503 -15.998 1.00 2.66 N ATOM 2025 CZ ARG A 138 0.258 9.026 -16.632 1.00 3.28 C ATOM 2026 NH1 ARG A 138 0.271 9.146 -17.960 1.00 4.24 N ATOM 2027 NH2 ARG A 138 -0.806 9.429 -15.936 1.00 3.54 N ATOM 0 H ARG A 138 3.841 5.321 -13.645 1.00 0.53 H new ATOM 0 HA ARG A 138 4.733 7.536 -12.185 1.00 0.58 H new ATOM 0 HB2 ARG A 138 1.878 6.555 -12.534 1.00 0.67 H new ATOM 0 HB3 ARG A 138 2.367 8.176 -12.082 1.00 0.67 H new ATOM 0 HG2 ARG A 138 3.561 8.386 -14.308 1.00 1.40 H new ATOM 0 HG3 ARG A 138 2.935 6.812 -14.755 1.00 1.40 H new ATOM 0 HD2 ARG A 138 0.583 7.715 -14.193 1.00 1.79 H new ATOM 0 HD3 ARG A 138 1.310 9.304 -14.056 1.00 1.79 H new ATOM 0 HE ARG A 138 2.106 8.201 -16.565 1.00 2.66 H new ATOM 0 HH11 ARG A 138 1.085 8.839 -18.492 1.00 4.24 H new ATOM 0 HH12 ARG A 138 -0.533 9.545 -18.444 1.00 4.24 H new ATOM 0 HH21 ARG A 138 -0.815 9.338 -14.920 1.00 3.54 H new ATOM 0 HH22 ARG A 138 -1.611 9.828 -16.420 1.00 3.54 H new ATOM 2041 N VAL A 139 3.940 7.259 -9.746 1.00 0.59 N ATOM 2042 CA VAL A 139 3.918 6.989 -8.326 1.00 0.54 C ATOM 2043 C VAL A 139 2.899 7.931 -7.719 1.00 0.53 C ATOM 2044 O VAL A 139 3.188 9.094 -7.429 1.00 0.72 O ATOM 2045 CB VAL A 139 5.323 7.189 -7.748 1.00 0.66 C ATOM 2046 CG1 VAL A 139 5.370 6.864 -6.257 1.00 0.79 C ATOM 2047 CG2 VAL A 139 6.310 6.291 -8.486 1.00 0.86 C ATOM 0 H VAL A 139 4.111 8.239 -9.972 1.00 0.59 H new ATOM 0 HA VAL A 139 3.634 5.961 -8.102 1.00 0.54 H new ATOM 0 HB VAL A 139 5.592 8.237 -7.878 1.00 0.66 H new ATOM 0 HG11 VAL A 139 6.382 7.018 -5.883 1.00 0.79 H new ATOM 0 HG12 VAL A 139 4.682 7.517 -5.720 1.00 0.79 H new ATOM 0 HG13 VAL A 139 5.080 5.825 -6.102 1.00 0.79 H new ATOM 0 HG21 VAL A 139 7.309 6.433 -8.075 1.00 0.86 H new ATOM 0 HG22 VAL A 139 6.014 5.249 -8.366 1.00 0.86 H new ATOM 0 HG23 VAL A 139 6.314 6.548 -9.545 1.00 0.86 H new ATOM 2057 N THR A 140 1.685 7.427 -7.557 1.00 0.41 N ATOM 2058 CA THR A 140 0.580 8.233 -7.092 1.00 0.48 C ATOM 2059 C THR A 140 0.359 7.908 -5.628 1.00 0.37 C ATOM 2060 O THR A 140 -0.217 6.871 -5.315 1.00 0.38 O ATOM 2061 CB THR A 140 -0.648 7.937 -7.957 1.00 0.64 C ATOM 2062 OG1 THR A 140 -0.282 7.679 -9.295 1.00 0.90 O ATOM 2063 CG2 THR A 140 -1.564 9.150 -7.948 1.00 0.68 C ATOM 0 H THR A 140 1.445 6.454 -7.744 1.00 0.41 H new ATOM 0 HA THR A 140 0.782 9.301 -7.179 1.00 0.48 H new ATOM 0 HB THR A 140 -1.147 7.059 -7.547 1.00 0.64 H new ATOM 0 HG1 THR A 140 -1.051 7.313 -9.780 1.00 0.90 H new ATOM 0 HG21 THR A 140 -2.442 8.948 -8.562 1.00 0.68 H new ATOM 0 HG22 THR A 140 -1.877 9.362 -6.926 1.00 0.68 H new ATOM 0 HG23 THR A 140 -1.031 10.012 -8.350 1.00 0.68 H new ATOM 2071 N ILE A 141 0.839 8.755 -4.718 1.00 0.35 N ATOM 2072 CA ILE A 141 0.726 8.447 -3.307 1.00 0.37 C ATOM 2073 C ILE A 141 -0.701 8.777 -2.876 1.00 0.46 C ATOM 2074 O ILE A 141 -1.301 9.737 -3.366 1.00 0.53 O ATOM 2075 CB ILE A 141 1.801 9.196 -2.485 1.00 0.42 C ATOM 2076 CG1 ILE A 141 2.234 8.370 -1.256 1.00 0.48 C ATOM 2077 CG2 ILE A 141 1.369 10.580 -1.997 1.00 0.50 C ATOM 2078 CD1 ILE A 141 3.622 7.762 -1.465 1.00 0.61 C ATOM 0 H ILE A 141 1.299 9.640 -4.933 1.00 0.35 H new ATOM 0 HA ILE A 141 0.913 7.389 -3.121 1.00 0.37 H new ATOM 0 HB ILE A 141 2.630 9.333 -3.180 1.00 0.42 H new ATOM 0 HG12 ILE A 141 2.241 9.006 -0.370 1.00 0.48 H new ATOM 0 HG13 ILE A 141 1.509 7.577 -1.073 1.00 0.48 H new ATOM 0 HG21 ILE A 141 2.181 11.036 -1.430 1.00 0.50 H new ATOM 0 HG22 ILE A 141 1.128 11.209 -2.854 1.00 0.50 H new ATOM 0 HG23 ILE A 141 0.490 10.483 -1.359 1.00 0.50 H new ATOM 0 HD11 ILE A 141 3.903 7.185 -0.584 1.00 0.61 H new ATOM 0 HD12 ILE A 141 3.605 7.108 -2.337 1.00 0.61 H new ATOM 0 HD13 ILE A 141 4.348 8.559 -1.623 1.00 0.61 H new ATOM 2090 N TYR A 142 -1.240 7.980 -1.959 1.00 0.54 N ATOM 2091 CA TYR A 142 -2.539 8.231 -1.365 1.00 0.70 C ATOM 2092 C TYR A 142 -2.381 8.098 0.143 1.00 0.86 C ATOM 2093 O TYR A 142 -1.696 7.197 0.628 1.00 0.87 O ATOM 2094 CB TYR A 142 -3.579 7.227 -1.887 1.00 0.70 C ATOM 2095 CG TYR A 142 -4.123 7.508 -3.277 1.00 0.71 C ATOM 2096 CD1 TYR A 142 -3.342 7.239 -4.415 1.00 0.65 C ATOM 2097 CD2 TYR A 142 -5.427 8.012 -3.436 1.00 0.88 C ATOM 2098 CE1 TYR A 142 -3.843 7.497 -5.705 1.00 0.73 C ATOM 2099 CE2 TYR A 142 -5.941 8.260 -4.721 1.00 0.97 C ATOM 2100 CZ TYR A 142 -5.146 8.015 -5.861 1.00 0.89 C ATOM 2101 OH TYR A 142 -5.628 8.288 -7.107 1.00 1.04 O ATOM 0 H TYR A 142 -0.782 7.139 -1.608 1.00 0.54 H new ATOM 0 HA TYR A 142 -2.891 9.228 -1.629 1.00 0.70 H new ATOM 0 HB2 TYR A 142 -3.131 6.233 -1.886 1.00 0.70 H new ATOM 0 HB3 TYR A 142 -4.415 7.200 -1.188 1.00 0.70 H new ATOM 0 HD1 TYR A 142 -2.349 6.831 -4.298 1.00 0.65 H new ATOM 0 HD2 TYR A 142 -6.036 8.209 -2.566 1.00 0.88 H new ATOM 0 HE1 TYR A 142 -3.232 7.299 -6.573 1.00 0.73 H new ATOM 0 HE2 TYR A 142 -6.946 8.639 -4.836 1.00 0.97 H new ATOM 0 HH TYR A 142 -6.541 8.637 -7.035 1.00 1.04 H new ATOM 2111 N CYS A 143 -3.037 8.977 0.892 1.00 1.18 N ATOM 2112 CA CYS A 143 -3.244 8.770 2.307 1.00 1.35 C ATOM 2113 C CYS A 143 -4.651 8.201 2.463 1.00 1.67 C ATOM 2114 O CYS A 143 -4.826 6.999 2.283 1.00 3.01 O ATOM 2115 CB CYS A 143 -2.924 10.045 3.104 1.00 1.30 C ATOM 2116 SG CYS A 143 -1.877 9.590 4.510 1.00 3.01 S ATOM 0 H CYS A 143 -3.435 9.845 0.532 1.00 1.18 H new ATOM 0 HA CYS A 143 -2.554 8.045 2.740 1.00 1.35 H new ATOM 0 HB2 CYS A 143 -2.414 10.771 2.470 1.00 1.30 H new ATOM 0 HB3 CYS A 143 -3.843 10.516 3.452 1.00 1.30 H new ATOM 0 HG CYS A 143 -2.474 9.915 5.618 1.00 3.01 H new ATOM 2122 N ARG A 144 -5.666 9.018 2.769 1.00 1.35 N ATOM 2123 CA ARG A 144 -7.001 8.478 2.981 1.00 1.79 C ATOM 2124 C ARG A 144 -8.065 9.577 3.001 1.00 1.97 C ATOM 2125 O ARG A 144 -8.810 9.671 3.978 1.00 3.34 O ATOM 2126 CB ARG A 144 -7.010 7.714 4.313 1.00 2.38 C ATOM 2127 CG ARG A 144 -8.225 6.795 4.318 1.00 2.43 C ATOM 2128 CD ARG A 144 -8.718 6.571 5.746 1.00 2.66 C ATOM 2129 NE ARG A 144 -10.069 6.011 5.741 1.00 2.91 N ATOM 2130 CZ ARG A 144 -11.179 6.663 5.381 1.00 2.86 C ATOM 2131 NH1 ARG A 144 -12.333 5.998 5.403 1.00 3.63 N ATOM 2132 NH2 ARG A 144 -11.136 7.949 5.006 1.00 3.28 N ATOM 0 H ARG A 144 -5.587 10.030 2.872 1.00 1.35 H new ATOM 0 HA ARG A 144 -7.244 7.812 2.153 1.00 1.79 H new ATOM 0 HB2 ARG A 144 -6.093 7.135 4.427 1.00 2.38 H new ATOM 0 HB3 ARG A 144 -7.054 8.409 5.151 1.00 2.38 H new ATOM 0 HG2 ARG A 144 -9.022 7.232 3.716 1.00 2.43 H new ATOM 0 HG3 ARG A 144 -7.968 5.839 3.861 1.00 2.43 H new ATOM 0 HD2 ARG A 144 -8.040 5.896 6.269 1.00 2.66 H new ATOM 0 HD3 ARG A 144 -8.711 7.515 6.291 1.00 2.66 H new ATOM 0 HE ARG A 144 -10.173 5.041 6.037 1.00 2.91 H new ATOM 0 HH11 ARG A 144 -12.352 5.019 5.689 1.00 3.63 H new ATOM 0 HH12 ARG A 144 -13.197 6.468 5.134 1.00 3.63 H new ATOM 0 HH21 ARG A 144 -10.246 8.447 4.992 1.00 3.28 H new ATOM 0 HH22 ARG A 144 -11.994 8.430 4.735 1.00 3.28 H new ATOM 2146 N ASP A 145 -8.117 10.389 1.943 1.00 1.64 N ATOM 2147 CA ASP A 145 -8.963 11.583 1.822 1.00 1.63 C ATOM 2148 C ASP A 145 -9.126 12.350 3.140 1.00 2.13 C ATOM 2149 O ASP A 145 -10.127 12.210 3.842 1.00 3.25 O ATOM 2150 CB ASP A 145 -10.332 11.231 1.234 1.00 2.34 C ATOM 2151 CG ASP A 145 -11.139 12.509 0.987 1.00 2.49 C ATOM 2152 OD1 ASP A 145 -12.374 12.394 0.841 1.00 3.31 O ATOM 2153 OD2 ASP A 145 -10.496 13.583 0.923 1.00 3.30 O ATOM 0 H ASP A 145 -7.548 10.228 1.112 1.00 1.64 H new ATOM 0 HA ASP A 145 -8.441 12.251 1.136 1.00 1.63 H new ATOM 0 HB2 ASP A 145 -10.206 10.684 0.300 1.00 2.34 H new ATOM 0 HB3 ASP A 145 -10.873 10.576 1.917 1.00 2.34 H new ATOM 2158 N LYS A 146 -8.128 13.158 3.512 1.00 1.82 N ATOM 2159 CA LYS A 146 -8.168 13.870 4.785 1.00 2.59 C ATOM 2160 C LYS A 146 -7.179 15.035 4.774 1.00 2.07 C ATOM 2161 O LYS A 146 -6.513 15.292 3.777 1.00 1.78 O ATOM 2162 CB LYS A 146 -7.866 12.871 5.926 1.00 3.58 C ATOM 2163 CG LYS A 146 -9.044 12.696 6.897 1.00 4.15 C ATOM 2164 CD LYS A 146 -9.385 13.985 7.653 1.00 4.39 C ATOM 2165 CE LYS A 146 -10.547 13.728 8.620 1.00 5.00 C ATOM 2166 NZ LYS A 146 -10.134 13.828 10.037 1.00 6.52 N ATOM 0 H LYS A 146 -7.292 13.332 2.954 1.00 1.82 H new ATOM 0 HA LYS A 146 -9.159 14.294 4.947 1.00 2.59 H new ATOM 0 HB2 LYS A 146 -7.610 11.903 5.496 1.00 3.58 H new ATOM 0 HB3 LYS A 146 -6.993 13.214 6.481 1.00 3.58 H new ATOM 0 HG2 LYS A 146 -9.921 12.363 6.342 1.00 4.15 H new ATOM 0 HG3 LYS A 146 -8.804 11.911 7.615 1.00 4.15 H new ATOM 0 HD2 LYS A 146 -8.512 14.336 8.204 1.00 4.39 H new ATOM 0 HD3 LYS A 146 -9.654 14.771 6.947 1.00 4.39 H new ATOM 0 HE2 LYS A 146 -11.344 14.446 8.425 1.00 5.00 H new ATOM 0 HE3 LYS A 146 -10.959 12.736 8.433 1.00 5.00 H new ATOM 0 HZ1 LYS A 146 -10.953 13.646 10.651 1.00 6.52 H new ATOM 0 HZ2 LYS A 146 -9.392 13.126 10.233 1.00 6.52 H new ATOM 0 HZ3 LYS A 146 -9.765 14.782 10.225 1.00 6.52 H new ATOM 2180 N THR A 147 -7.015 15.707 5.912 1.00 2.15 N ATOM 2181 CA THR A 147 -5.967 16.694 6.134 1.00 1.92 C ATOM 2182 C THR A 147 -4.587 16.116 5.814 1.00 1.42 C ATOM 2183 O THR A 147 -3.725 16.805 5.276 1.00 1.18 O ATOM 2184 CB THR A 147 -6.035 17.112 7.605 1.00 2.45 C ATOM 2185 OG1 THR A 147 -7.387 17.316 7.967 1.00 3.45 O ATOM 2186 CG2 THR A 147 -5.198 18.360 7.896 1.00 2.07 C ATOM 0 H THR A 147 -7.622 15.576 6.721 1.00 2.15 H new ATOM 0 HA THR A 147 -6.118 17.551 5.477 1.00 1.92 H new ATOM 0 HB THR A 147 -5.609 16.309 8.207 1.00 2.45 H new ATOM 0 HG1 THR A 147 -7.437 17.582 8.909 1.00 3.45 H new ATOM 0 HG21 THR A 147 -5.280 18.615 8.953 1.00 2.07 H new ATOM 0 HG22 THR A 147 -4.154 18.164 7.650 1.00 2.07 H new ATOM 0 HG23 THR A 147 -5.563 19.191 7.293 1.00 2.07 H new ATOM 2194 N TRP A 148 -4.355 14.852 6.180 1.00 1.47 N ATOM 2195 CA TRP A 148 -3.068 14.212 5.965 1.00 1.25 C ATOM 2196 C TRP A 148 -2.671 14.248 4.495 1.00 1.07 C ATOM 2197 O TRP A 148 -1.531 14.572 4.201 1.00 0.85 O ATOM 2198 CB TRP A 148 -3.086 12.785 6.509 1.00 1.57 C ATOM 2199 CG TRP A 148 -2.755 12.672 7.963 1.00 1.70 C ATOM 2200 CD1 TRP A 148 -3.237 13.442 8.967 1.00 2.62 C ATOM 2201 CD2 TRP A 148 -1.815 11.749 8.585 1.00 2.74 C ATOM 2202 NE1 TRP A 148 -2.655 13.060 10.161 1.00 2.66 N ATOM 2203 CE2 TRP A 148 -1.756 12.029 9.980 1.00 2.51 C ATOM 2204 CE3 TRP A 148 -1.001 10.705 8.097 1.00 4.73 C ATOM 2205 CZ2 TRP A 148 -0.915 11.319 10.847 1.00 3.53 C ATOM 2206 CZ3 TRP A 148 -0.167 9.975 8.958 1.00 6.07 C ATOM 2207 CH2 TRP A 148 -0.117 10.291 10.324 1.00 5.32 C ATOM 0 H TRP A 148 -5.050 14.255 6.628 1.00 1.47 H new ATOM 0 HA TRP A 148 -2.310 14.772 6.514 1.00 1.25 H new ATOM 0 HB2 TRP A 148 -4.074 12.358 6.340 1.00 1.57 H new ATOM 0 HB3 TRP A 148 -2.377 12.184 5.940 1.00 1.57 H new ATOM 0 HD1 TRP A 148 -3.964 14.233 8.853 1.00 2.62 H new ATOM 0 HE1 TRP A 148 -2.864 13.487 11.063 1.00 2.66 H new ATOM 0 HE3 TRP A 148 -1.020 10.464 7.044 1.00 4.73 H new ATOM 0 HZ2 TRP A 148 -0.882 11.559 11.899 1.00 3.53 H new ATOM 0 HZ3 TRP A 148 0.437 9.169 8.568 1.00 6.07 H new ATOM 0 HH2 TRP A 148 0.541 9.738 10.978 1.00 5.32 H new ATOM 2218 N GLU A 149 -3.605 13.974 3.582 1.00 1.35 N ATOM 2219 CA GLU A 149 -3.400 14.074 2.139 1.00 1.43 C ATOM 2220 C GLU A 149 -2.703 15.392 1.768 1.00 1.35 C ATOM 2221 O GLU A 149 -1.708 15.408 1.044 1.00 1.34 O ATOM 2222 CB GLU A 149 -4.745 13.888 1.422 1.00 1.88 C ATOM 2223 CG GLU A 149 -4.835 12.485 0.826 1.00 3.31 C ATOM 2224 CD GLU A 149 -3.919 12.380 -0.386 1.00 3.75 C ATOM 2225 OE1 GLU A 149 -4.096 13.223 -1.290 1.00 3.89 O ATOM 2226 OE2 GLU A 149 -3.046 11.487 -0.356 1.00 4.72 O ATOM 0 H GLU A 149 -4.546 13.670 3.833 1.00 1.35 H new ATOM 0 HA GLU A 149 -2.731 13.280 1.807 1.00 1.43 H new ATOM 0 HB2 GLU A 149 -5.564 14.046 2.123 1.00 1.88 H new ATOM 0 HB3 GLU A 149 -4.851 14.633 0.634 1.00 1.88 H new ATOM 0 HG2 GLU A 149 -4.551 11.744 1.573 1.00 3.31 H new ATOM 0 HG3 GLU A 149 -5.863 12.268 0.536 1.00 3.31 H new ATOM 2233 N GLN A 150 -3.184 16.508 2.316 1.00 1.40 N ATOM 2234 CA GLN A 150 -2.582 17.814 2.077 1.00 1.49 C ATOM 2235 C GLN A 150 -1.149 17.840 2.609 1.00 1.30 C ATOM 2236 O GLN A 150 -0.238 18.309 1.929 1.00 1.40 O ATOM 2237 CB GLN A 150 -3.434 18.910 2.726 1.00 1.67 C ATOM 2238 CG GLN A 150 -4.856 18.933 2.147 1.00 3.48 C ATOM 2239 CD GLN A 150 -5.834 19.675 3.052 1.00 4.13 C ATOM 2240 OE1 GLN A 150 -5.449 20.439 3.927 1.00 3.61 O ATOM 2241 NE2 GLN A 150 -7.128 19.442 2.876 1.00 5.69 N ATOM 0 H GLN A 150 -3.996 16.530 2.933 1.00 1.40 H new ATOM 0 HA GLN A 150 -2.546 18.002 1.004 1.00 1.49 H new ATOM 0 HB2 GLN A 150 -3.481 18.746 3.803 1.00 1.67 H new ATOM 0 HB3 GLN A 150 -2.961 19.880 2.571 1.00 1.67 H new ATOM 0 HG2 GLN A 150 -4.839 19.408 1.166 1.00 3.48 H new ATOM 0 HG3 GLN A 150 -5.203 17.910 2.000 1.00 3.48 H new ATOM 0 HE21 GLN A 150 -7.436 18.803 2.143 1.00 5.69 H new ATOM 0 HE22 GLN A 150 -7.815 19.902 3.474 1.00 5.69 H new ATOM 2250 N LYS A 151 -0.925 17.313 3.817 1.00 1.10 N ATOM 2251 CA LYS A 151 0.427 17.213 4.354 1.00 1.03 C ATOM 2252 C LYS A 151 1.331 16.397 3.431 1.00 0.91 C ATOM 2253 O LYS A 151 2.518 16.708 3.346 1.00 0.95 O ATOM 2254 CB LYS A 151 0.440 16.646 5.779 1.00 0.96 C ATOM 2255 CG LYS A 151 -0.114 17.665 6.778 1.00 1.45 C ATOM 2256 CD LYS A 151 -0.156 17.061 8.187 1.00 1.29 C ATOM 2257 CE LYS A 151 -0.518 18.106 9.250 1.00 2.02 C ATOM 2258 NZ LYS A 151 -1.922 18.554 9.163 1.00 2.50 N ATOM 0 H LYS A 151 -1.656 16.954 4.432 1.00 1.10 H new ATOM 0 HA LYS A 151 0.824 18.227 4.406 1.00 1.03 H new ATOM 0 HB2 LYS A 151 -0.155 15.733 5.817 1.00 0.96 H new ATOM 0 HB3 LYS A 151 1.458 16.375 6.057 1.00 0.96 H new ATOM 0 HG2 LYS A 151 0.508 18.560 6.777 1.00 1.45 H new ATOM 0 HG3 LYS A 151 -1.115 17.972 6.477 1.00 1.45 H new ATOM 0 HD2 LYS A 151 -0.885 16.251 8.212 1.00 1.29 H new ATOM 0 HD3 LYS A 151 0.814 16.625 8.423 1.00 1.29 H new ATOM 0 HE2 LYS A 151 -0.337 17.687 10.240 1.00 2.02 H new ATOM 0 HE3 LYS A 151 0.140 18.968 9.143 1.00 2.02 H new ATOM 0 HZ1 LYS A 151 -2.108 19.259 9.905 1.00 2.50 H new ATOM 0 HZ2 LYS A 151 -2.093 18.980 8.230 1.00 2.50 H new ATOM 0 HZ3 LYS A 151 -2.555 17.739 9.293 1.00 2.50 H new ATOM 2272 N ILE A 152 0.825 15.376 2.732 1.00 0.80 N ATOM 2273 CA ILE A 152 1.689 14.590 1.856 1.00 0.68 C ATOM 2274 C ILE A 152 2.176 15.467 0.706 1.00 0.73 C ATOM 2275 O ILE A 152 3.319 15.327 0.287 1.00 0.79 O ATOM 2276 CB ILE A 152 1.050 13.299 1.308 1.00 0.60 C ATOM 2277 CG1 ILE A 152 0.001 12.646 2.209 1.00 1.11 C ATOM 2278 CG2 ILE A 152 2.160 12.281 1.013 1.00 0.94 C ATOM 2279 CD1 ILE A 152 0.474 12.297 3.614 1.00 1.77 C ATOM 0 H ILE A 152 -0.152 15.083 2.755 1.00 0.80 H new ATOM 0 HA ILE A 152 2.523 14.256 2.474 1.00 0.68 H new ATOM 0 HB ILE A 152 0.511 13.600 0.410 1.00 0.60 H new ATOM 0 HG12 ILE A 152 -0.854 13.317 2.288 1.00 1.11 H new ATOM 0 HG13 ILE A 152 -0.352 11.735 1.726 1.00 1.11 H new ATOM 0 HG21 ILE A 152 1.718 11.363 0.625 1.00 0.94 H new ATOM 0 HG22 ILE A 152 2.846 12.695 0.274 1.00 0.94 H new ATOM 0 HG23 ILE A 152 2.705 12.061 1.931 1.00 0.94 H new ATOM 0 HD11 ILE A 152 -0.344 11.840 4.170 1.00 1.77 H new ATOM 0 HD12 ILE A 152 1.308 11.597 3.554 1.00 1.77 H new ATOM 0 HD13 ILE A 152 0.798 13.204 4.125 1.00 1.77 H new ATOM 2291 N LYS A 153 1.351 16.395 0.207 1.00 0.79 N ATOM 2292 CA LYS A 153 1.807 17.351 -0.801 1.00 0.83 C ATOM 2293 C LYS A 153 3.034 18.097 -0.281 1.00 0.86 C ATOM 2294 O LYS A 153 4.072 18.108 -0.935 1.00 0.86 O ATOM 2295 CB LYS A 153 0.682 18.324 -1.176 1.00 0.92 C ATOM 2296 CG LYS A 153 1.074 19.254 -2.336 1.00 0.95 C ATOM 2297 CD LYS A 153 0.573 20.675 -2.060 1.00 1.31 C ATOM 2298 CE LYS A 153 0.932 21.600 -3.226 1.00 1.59 C ATOM 2299 NZ LYS A 153 0.605 23.011 -2.925 1.00 2.38 N ATOM 0 H LYS A 153 0.375 16.502 0.483 1.00 0.79 H new ATOM 0 HA LYS A 153 2.086 16.811 -1.706 1.00 0.83 H new ATOM 0 HB2 LYS A 153 -0.207 17.758 -1.453 1.00 0.92 H new ATOM 0 HB3 LYS A 153 0.419 18.925 -0.305 1.00 0.92 H new ATOM 0 HG2 LYS A 153 2.157 19.259 -2.459 1.00 0.95 H new ATOM 0 HG3 LYS A 153 0.649 18.884 -3.269 1.00 0.95 H new ATOM 0 HD2 LYS A 153 -0.507 20.665 -1.914 1.00 1.31 H new ATOM 0 HD3 LYS A 153 1.016 21.052 -1.138 1.00 1.31 H new ATOM 0 HE2 LYS A 153 1.996 21.512 -3.446 1.00 1.59 H new ATOM 0 HE3 LYS A 153 0.394 21.284 -4.120 1.00 1.59 H new ATOM 0 HZ1 LYS A 153 0.862 23.608 -3.737 1.00 2.38 H new ATOM 0 HZ2 LYS A 153 -0.414 23.099 -2.739 1.00 2.38 H new ATOM 0 HZ3 LYS A 153 1.138 23.320 -2.087 1.00 2.38 H new ATOM 2313 N THR A 154 2.929 18.737 0.885 1.00 0.94 N ATOM 2314 CA THR A 154 4.041 19.508 1.431 1.00 1.03 C ATOM 2315 C THR A 154 5.266 18.623 1.698 1.00 1.05 C ATOM 2316 O THR A 154 6.402 19.064 1.553 1.00 1.18 O ATOM 2317 CB THR A 154 3.577 20.262 2.682 1.00 1.19 C ATOM 2318 OG1 THR A 154 2.732 19.458 3.476 1.00 2.42 O ATOM 2319 CG2 THR A 154 2.759 21.488 2.273 1.00 1.96 C ATOM 0 H THR A 154 2.090 18.736 1.464 1.00 0.94 H new ATOM 0 HA THR A 154 4.361 20.243 0.692 1.00 1.03 H new ATOM 0 HB THR A 154 4.470 20.542 3.242 1.00 1.19 H new ATOM 0 HG1 THR A 154 2.960 18.514 3.344 1.00 2.42 H new ATOM 0 HG21 THR A 154 2.431 22.021 3.166 1.00 1.96 H new ATOM 0 HG22 THR A 154 3.374 22.148 1.661 1.00 1.96 H new ATOM 0 HG23 THR A 154 1.888 21.170 1.700 1.00 1.96 H new ATOM 2327 N VAL A 155 5.058 17.363 2.074 1.00 1.02 N ATOM 2328 CA VAL A 155 6.154 16.425 2.260 1.00 1.08 C ATOM 2329 C VAL A 155 6.860 16.151 0.938 1.00 1.01 C ATOM 2330 O VAL A 155 8.083 16.149 0.891 1.00 1.12 O ATOM 2331 CB VAL A 155 5.614 15.140 2.894 1.00 1.18 C ATOM 2332 CG1 VAL A 155 6.591 13.971 2.787 1.00 1.07 C ATOM 2333 CG2 VAL A 155 5.338 15.422 4.366 1.00 1.92 C ATOM 0 H VAL A 155 4.134 16.970 2.256 1.00 1.02 H new ATOM 0 HA VAL A 155 6.896 16.857 2.931 1.00 1.08 H new ATOM 0 HB VAL A 155 4.710 14.852 2.357 1.00 1.18 H new ATOM 0 HG11 VAL A 155 6.154 13.088 3.253 1.00 1.07 H new ATOM 0 HG12 VAL A 155 6.796 13.763 1.737 1.00 1.07 H new ATOM 0 HG13 VAL A 155 7.521 14.227 3.294 1.00 1.07 H new ATOM 0 HG21 VAL A 155 4.952 14.521 4.843 1.00 1.92 H new ATOM 0 HG22 VAL A 155 6.262 15.725 4.858 1.00 1.92 H new ATOM 0 HG23 VAL A 155 4.602 16.222 4.452 1.00 1.92 H new ATOM 2343 N LEU A 156 6.105 15.904 -0.128 1.00 0.90 N ATOM 2344 CA LEU A 156 6.666 15.582 -1.438 1.00 0.88 C ATOM 2345 C LEU A 156 7.461 16.780 -1.948 1.00 0.99 C ATOM 2346 O LEU A 156 8.530 16.610 -2.519 1.00 1.21 O ATOM 2347 CB LEU A 156 5.585 15.162 -2.453 1.00 0.81 C ATOM 2348 CG LEU A 156 5.154 13.680 -2.395 1.00 0.64 C ATOM 2349 CD1 LEU A 156 4.236 13.377 -3.581 1.00 1.00 C ATOM 2350 CD2 LEU A 156 6.345 12.714 -2.442 1.00 0.96 C ATOM 0 H LEU A 156 5.085 15.921 -0.109 1.00 0.90 H new ATOM 0 HA LEU A 156 7.327 14.723 -1.325 1.00 0.88 H new ATOM 0 HB2 LEU A 156 4.704 15.784 -2.296 1.00 0.81 H new ATOM 0 HB3 LEU A 156 5.952 15.376 -3.457 1.00 0.81 H new ATOM 0 HG LEU A 156 4.641 13.531 -1.445 1.00 0.64 H new ATOM 0 HD11 LEU A 156 3.928 12.332 -3.545 1.00 1.00 H new ATOM 0 HD12 LEU A 156 3.355 14.016 -3.532 1.00 1.00 H new ATOM 0 HD13 LEU A 156 4.770 13.566 -4.512 1.00 1.00 H new ATOM 0 HD21 LEU A 156 5.982 11.687 -2.398 1.00 0.96 H new ATOM 0 HD22 LEU A 156 6.899 12.864 -3.369 1.00 0.96 H new ATOM 0 HD23 LEU A 156 7.001 12.904 -1.593 1.00 0.96 H new ATOM 2362 N GLN A 157 6.962 17.988 -1.701 1.00 0.98 N ATOM 2363 CA GLN A 157 7.672 19.233 -1.949 1.00 1.18 C ATOM 2364 C GLN A 157 9.004 19.274 -1.185 1.00 1.25 C ATOM 2365 O GLN A 157 9.981 19.821 -1.688 1.00 1.41 O ATOM 2366 CB GLN A 157 6.724 20.379 -1.567 1.00 1.30 C ATOM 2367 CG GLN A 157 7.388 21.736 -1.335 1.00 2.62 C ATOM 2368 CD GLN A 157 7.993 22.337 -2.602 1.00 2.42 C ATOM 2369 OE1 GLN A 157 7.807 21.832 -3.702 1.00 2.48 O ATOM 2370 NE2 GLN A 157 8.687 23.462 -2.477 1.00 3.51 N ATOM 0 H GLN A 157 6.029 18.128 -1.313 1.00 0.98 H new ATOM 0 HA GLN A 157 7.945 19.328 -3.000 1.00 1.18 H new ATOM 0 HB2 GLN A 157 5.980 20.489 -2.356 1.00 1.30 H new ATOM 0 HB3 GLN A 157 6.189 20.097 -0.660 1.00 1.30 H new ATOM 0 HG2 GLN A 157 6.651 22.429 -0.929 1.00 2.62 H new ATOM 0 HG3 GLN A 157 8.170 21.626 -0.584 1.00 2.62 H new ATOM 0 HE21 GLN A 157 8.834 23.871 -1.554 1.00 3.51 H new ATOM 0 HE22 GLN A 157 9.073 23.917 -3.304 1.00 3.51 H new ATOM 2379 N ASN A 158 9.045 18.751 0.043 1.00 1.20 N ATOM 2380 CA ASN A 158 10.249 18.783 0.870 1.00 1.32 C ATOM 2381 C ASN A 158 11.182 17.593 0.619 1.00 1.41 C ATOM 2382 O ASN A 158 12.304 17.600 1.127 1.00 1.71 O ATOM 2383 CB ASN A 158 9.868 18.789 2.359 1.00 1.36 C ATOM 2384 CG ASN A 158 9.346 20.134 2.845 1.00 1.76 C ATOM 2385 OD1 ASN A 158 9.314 21.119 2.117 1.00 2.19 O ATOM 2386 ND2 ASN A 158 8.958 20.208 4.112 1.00 2.33 N ATOM 0 H ASN A 158 8.248 18.296 0.488 1.00 1.20 H new ATOM 0 HA ASN A 158 10.781 19.694 0.596 1.00 1.32 H new ATOM 0 HB2 ASN A 158 9.108 18.028 2.535 1.00 1.36 H new ATOM 0 HB3 ASN A 158 10.740 18.511 2.951 1.00 1.36 H new ATOM 0 HD21 ASN A 158 8.627 21.094 4.493 1.00 2.33 H new ATOM 0 HD22 ASN A 158 8.991 19.379 4.705 1.00 2.33 H new ATOM 2393 N ARG A 159 10.718 16.528 -0.039 1.00 1.28 N ATOM 2394 CA ARG A 159 11.437 15.264 -0.077 1.00 1.44 C ATOM 2395 C ARG A 159 12.329 15.112 -1.295 1.00 1.59 C ATOM 2396 O ARG A 159 12.135 15.845 -2.285 1.00 2.64 O ATOM 2397 CB ARG A 159 10.445 14.103 0.003 1.00 1.56 C ATOM 2398 CG ARG A 159 10.121 13.761 1.456 1.00 2.85 C ATOM 2399 CD ARG A 159 11.238 12.930 2.103 1.00 4.19 C ATOM 2400 NE ARG A 159 12.195 13.727 2.889 1.00 5.54 N ATOM 2401 CZ ARG A 159 13.468 14.011 2.568 1.00 5.89 C ATOM 2402 NH1 ARG A 159 14.255 14.596 3.473 1.00 7.19 N ATOM 2403 NH2 ARG A 159 13.967 13.732 1.366 1.00 5.30 N ATOM 0 H ARG A 159 9.839 16.523 -0.556 1.00 1.28 H new ATOM 0 HA ARG A 159 12.100 15.253 0.788 1.00 1.44 H new ATOM 0 HB2 ARG A 159 9.529 14.365 -0.526 1.00 1.56 H new ATOM 0 HB3 ARG A 159 10.862 13.228 -0.496 1.00 1.56 H new ATOM 0 HG2 ARG A 159 9.976 14.680 2.023 1.00 2.85 H new ATOM 0 HG3 ARG A 159 9.183 13.208 1.500 1.00 2.85 H new ATOM 0 HD2 ARG A 159 10.789 12.177 2.751 1.00 4.19 H new ATOM 0 HD3 ARG A 159 11.780 12.396 1.322 1.00 4.19 H new ATOM 0 HE ARG A 159 11.854 14.104 3.773 1.00 5.54 H new ATOM 0 HH11 ARG A 159 13.888 14.823 4.397 1.00 7.19 H new ATOM 0 HH12 ARG A 159 15.223 14.816 3.240 1.00 7.19 H new ATOM 0 HH21 ARG A 159 13.379 13.291 0.659 1.00 5.30 H new ATOM 0 HH22 ARG A 159 14.938 13.960 1.151 1.00 5.30 H new TER 2417 ARG A 159