USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1072 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 101 MET CE :methyl -171:sc= -1.9 (180deg=-2.33!) USER MOD Set 1.2: A 117 MET CE :methyl -130:sc= -0.059 (180deg=-1.58!) USER MOD Single : A 0 SER OG : rot 180:sc= 0.031 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0869 (180deg=-0.566) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= 1.06 (180deg=0.613) USER MOD Single : A 9 SER OG : rot 150:sc= -0.0125 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 135:sc= -0.0271 (180deg=-0.277) USER MOD Single : A 15 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -0.0887 (180deg=-0.431) USER MOD Single : A 18 SER OG : rot -132:sc= -1.27! USER MOD Single : A 23 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.21) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0503 X(o=-0.05,f=-0.064) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.11) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 1.16 (180deg=0.97) USER MOD Single : A 62 GLN : amide:sc= 0.817 K(o=0.82,f=-3.2!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 66 MET CE :methyl -172:sc= -0.773 (180deg=-1) USER MOD Single : A 67 THR OG1 : rot -160:sc= -0.782 USER MOD Single : A 68 GLN : amide:sc= -0.294 K(o=-0.29,f=-1.9) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.164 USER MOD Single : A 77 MET CE :methyl 172:sc= 0 (180deg=-0.0801) USER MOD Single : A 82 THR OG1 : rot -30:sc= 0.316 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.339 K(o=-0.34,f=-1.1) USER MOD Single : A 91 ASN : amide:sc= -0.0511 K(o=-0.051,f=-2.9!) USER MOD Single : A 92 LYS NZ :NH3+ -172:sc=-0.00582 (180deg=-0.0761) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -28:sc= 0.00563 USER MOD Single : A 100 THR OG1 : rot -69:sc= -0.115 USER MOD Single : A 105 TYR OH : rot -1:sc= 0.609 USER MOD Single : A 108 TYR OH : rot 30:sc= -0.0101 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot 42:sc= 0.948 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 175:sc= 0.297 USER MOD Single : A 121 SER OG : rot -179:sc= 1.16 USER MOD Single : A 122 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.0612 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -37.549 31.847 4.963 1.00 29.36 N ATOM 2 CA GLY A -1 -37.254 33.221 4.490 1.00 29.54 C ATOM 3 C GLY A -1 -36.753 33.231 3.062 1.00 29.10 C ATOM 4 O GLY A -1 -37.529 33.066 2.120 1.00 28.91 O ATOM 0 H1 GLY A -1 -37.889 31.884 5.945 1.00 29.36 H new ATOM 0 H2 GLY A -1 -38.280 31.421 4.359 1.00 29.36 H new ATOM 0 H3 GLY A -1 -36.684 31.271 4.918 1.00 29.36 H new ATOM 0 HA2 GLY A -1 -38.154 33.831 4.563 1.00 29.54 H new ATOM 0 HA3 GLY A -1 -36.507 33.676 5.140 1.00 29.54 H new ATOM 10 N SER A 0 -35.454 33.414 2.902 1.00 28.99 N ATOM 11 CA SER A 0 -34.840 33.399 1.587 1.00 28.64 C ATOM 12 C SER A 0 -34.563 31.964 1.150 1.00 27.50 C ATOM 13 O SER A 0 -34.233 31.107 1.973 1.00 27.11 O ATOM 14 CB SER A 0 -33.550 34.220 1.612 1.00 29.29 C ATOM 15 OG SER A 0 -32.740 33.862 2.721 1.00 29.85 O ATOM 0 H SER A 0 -34.802 33.575 3.670 1.00 28.99 H new ATOM 0 HA SER A 0 -35.524 33.846 0.865 1.00 28.64 H new ATOM 0 HB2 SER A 0 -32.996 34.062 0.687 1.00 29.29 H new ATOM 0 HB3 SER A 0 -33.791 35.282 1.661 1.00 29.29 H new ATOM 0 HG SER A 0 -31.920 34.399 2.714 1.00 29.85 H new ATOM 21 N MET A 1 -34.724 31.700 -0.137 1.00 27.04 N ATOM 22 CA MET A 1 -34.489 30.368 -0.675 1.00 26.01 C ATOM 23 C MET A 1 -33.069 30.258 -1.210 1.00 25.09 C ATOM 24 O MET A 1 -32.676 31.022 -2.098 1.00 25.06 O ATOM 25 CB MET A 1 -35.491 30.061 -1.792 1.00 26.03 C ATOM 26 CG MET A 1 -35.294 28.695 -2.433 1.00 26.09 C ATOM 27 SD MET A 1 -35.529 27.329 -1.276 1.00 26.08 S ATOM 28 CE MET A 1 -37.249 27.557 -0.823 1.00 26.33 C ATOM 0 H MET A 1 -35.016 32.390 -0.829 1.00 27.04 H new ATOM 0 HA MET A 1 -34.622 29.643 0.128 1.00 26.01 H new ATOM 0 HB2 MET A 1 -36.502 30.120 -1.388 1.00 26.03 H new ATOM 0 HB3 MET A 1 -35.410 30.829 -2.562 1.00 26.03 H new ATOM 0 HG2 MET A 1 -35.993 28.585 -3.262 1.00 26.09 H new ATOM 0 HG3 MET A 1 -34.290 28.639 -2.853 1.00 26.09 H new ATOM 0 HE1 MET A 1 -37.639 26.632 -0.397 1.00 26.33 H new ATOM 0 HE2 MET A 1 -37.328 28.357 -0.087 1.00 26.33 H new ATOM 0 HE3 MET A 1 -37.827 27.821 -1.709 1.00 26.33 H new ATOM 38 N PRO A 2 -32.275 29.324 -0.666 1.00 24.39 N ATOM 39 CA PRO A 2 -30.914 29.069 -1.144 1.00 23.52 C ATOM 40 C PRO A 2 -30.906 28.688 -2.621 1.00 22.82 C ATOM 41 O PRO A 2 -31.713 27.862 -3.055 1.00 22.63 O ATOM 42 CB PRO A 2 -30.442 27.886 -0.292 1.00 23.10 C ATOM 43 CG PRO A 2 -31.314 27.903 0.914 1.00 23.69 C ATOM 44 CD PRO A 2 -32.637 28.449 0.462 1.00 24.48 C ATOM 0 HA PRO A 2 -30.276 29.948 -1.055 1.00 23.52 H new ATOM 0 HB2 PRO A 2 -30.539 26.946 -0.835 1.00 23.10 H new ATOM 0 HB3 PRO A 2 -29.392 27.990 -0.020 1.00 23.10 H new ATOM 0 HG2 PRO A 2 -31.427 26.901 1.328 1.00 23.69 H new ATOM 0 HG3 PRO A 2 -30.883 28.525 1.698 1.00 23.69 H new ATOM 0 HD2 PRO A 2 -33.316 27.654 0.153 1.00 24.48 H new ATOM 0 HD3 PRO A 2 -33.136 29.003 1.257 1.00 24.48 H new ATOM 52 N PRO A 3 -30.006 29.293 -3.416 1.00 22.54 N ATOM 53 CA PRO A 3 -29.901 29.010 -4.851 1.00 21.97 C ATOM 54 C PRO A 3 -29.662 27.526 -5.116 1.00 21.06 C ATOM 55 O PRO A 3 -28.922 26.871 -4.379 1.00 20.64 O ATOM 56 CB PRO A 3 -28.700 29.847 -5.310 1.00 21.96 C ATOM 57 CG PRO A 3 -27.979 30.229 -4.063 1.00 22.48 C ATOM 58 CD PRO A 3 -29.019 30.292 -2.982 1.00 22.87 C ATOM 0 HA PRO A 3 -30.818 29.257 -5.386 1.00 21.97 H new ATOM 0 HB2 PRO A 3 -28.055 29.275 -5.976 1.00 21.96 H new ATOM 0 HB3 PRO A 3 -29.025 30.729 -5.861 1.00 21.96 H new ATOM 0 HG2 PRO A 3 -27.208 29.498 -3.819 1.00 22.48 H new ATOM 0 HG3 PRO A 3 -27.481 31.191 -4.180 1.00 22.48 H new ATOM 0 HD2 PRO A 3 -28.601 30.049 -2.005 1.00 22.87 H new ATOM 0 HD3 PRO A 3 -29.459 31.286 -2.902 1.00 22.87 H new ATOM 66 N PRO A 4 -30.300 26.978 -6.161 1.00 20.84 N ATOM 67 CA PRO A 4 -30.218 25.548 -6.485 1.00 20.09 C ATOM 68 C PRO A 4 -28.810 25.112 -6.896 1.00 19.53 C ATOM 69 O PRO A 4 -28.466 25.118 -8.081 1.00 19.27 O ATOM 70 CB PRO A 4 -31.195 25.386 -7.656 1.00 20.21 C ATOM 71 CG PRO A 4 -31.317 26.747 -8.249 1.00 21.02 C ATOM 72 CD PRO A 4 -31.159 27.711 -7.109 1.00 21.43 C ATOM 0 HA PRO A 4 -30.460 24.928 -5.622 1.00 20.09 H new ATOM 0 HB2 PRO A 4 -30.820 24.670 -8.387 1.00 20.21 H new ATOM 0 HB3 PRO A 4 -32.162 25.016 -7.315 1.00 20.21 H new ATOM 0 HG2 PRO A 4 -30.552 26.912 -9.008 1.00 21.02 H new ATOM 0 HG3 PRO A 4 -32.283 26.875 -8.737 1.00 21.02 H new ATOM 0 HD2 PRO A 4 -30.697 28.644 -7.432 1.00 21.43 H new ATOM 0 HD3 PRO A 4 -32.120 27.969 -6.664 1.00 21.43 H new ATOM 80 N GLN A 5 -28.007 24.731 -5.909 1.00 19.48 N ATOM 81 CA GLN A 5 -26.644 24.274 -6.151 1.00 19.08 C ATOM 82 C GLN A 5 -26.651 22.930 -6.865 1.00 18.23 C ATOM 83 O GLN A 5 -27.526 22.091 -6.629 1.00 17.82 O ATOM 84 CB GLN A 5 -25.866 24.166 -4.840 1.00 19.59 C ATOM 85 CG GLN A 5 -26.536 23.281 -3.799 1.00 19.61 C ATOM 86 CD GLN A 5 -25.638 22.990 -2.617 1.00 20.26 C ATOM 87 OE1 GLN A 5 -25.616 23.735 -1.638 1.00 20.54 O ATOM 88 NE2 GLN A 5 -24.895 21.900 -2.695 1.00 20.60 N ATOM 0 H GLN A 5 -28.280 24.730 -4.926 1.00 19.48 H new ATOM 0 HA GLN A 5 -26.150 25.008 -6.787 1.00 19.08 H new ATOM 0 HB2 GLN A 5 -24.871 23.774 -5.050 1.00 19.59 H new ATOM 0 HB3 GLN A 5 -25.734 25.165 -4.423 1.00 19.59 H new ATOM 0 HG2 GLN A 5 -27.447 23.766 -3.448 1.00 19.61 H new ATOM 0 HG3 GLN A 5 -26.834 22.341 -4.264 1.00 19.61 H new ATOM 0 HE21 GLN A 5 -24.943 21.309 -3.525 1.00 20.60 H new ATOM 0 HE22 GLN A 5 -24.274 21.650 -1.925 1.00 20.60 H new ATOM 97 N LYS A 6 -25.679 22.725 -7.737 1.00 18.08 N ATOM 98 CA LYS A 6 -25.626 21.519 -8.544 1.00 17.42 C ATOM 99 C LYS A 6 -24.247 20.887 -8.471 1.00 16.78 C ATOM 100 O LYS A 6 -23.250 21.518 -8.824 1.00 16.87 O ATOM 101 CB LYS A 6 -25.963 21.852 -9.998 1.00 17.87 C ATOM 102 CG LYS A 6 -27.242 22.651 -10.157 1.00 18.15 C ATOM 103 CD LYS A 6 -27.426 23.129 -11.584 1.00 18.50 C ATOM 104 CE LYS A 6 -28.595 24.092 -11.696 1.00 18.81 C ATOM 105 NZ LYS A 6 -28.394 25.310 -10.864 1.00 18.97 N ATOM 0 H LYS A 6 -24.915 23.379 -7.904 1.00 18.08 H new ATOM 0 HA LYS A 6 -26.357 20.810 -8.155 1.00 17.42 H new ATOM 0 HB2 LYS A 6 -25.137 22.414 -10.434 1.00 17.87 H new ATOM 0 HB3 LYS A 6 -26.051 20.924 -10.563 1.00 17.87 H new ATOM 0 HG2 LYS A 6 -28.094 22.037 -9.865 1.00 18.15 H new ATOM 0 HG3 LYS A 6 -27.222 23.509 -9.485 1.00 18.15 H new ATOM 0 HD2 LYS A 6 -26.514 23.619 -11.926 1.00 18.50 H new ATOM 0 HD3 LYS A 6 -27.593 22.273 -12.238 1.00 18.50 H new ATOM 0 HE2 LYS A 6 -28.727 24.382 -12.738 1.00 18.81 H new ATOM 0 HE3 LYS A 6 -29.511 23.588 -11.387 1.00 18.81 H new ATOM 0 HZ1 LYS A 6 -29.036 26.061 -11.188 1.00 18.97 H new ATOM 0 HZ2 LYS A 6 -28.596 25.087 -9.868 1.00 18.97 H new ATOM 0 HZ3 LYS A 6 -27.410 25.633 -10.954 1.00 18.97 H new ATOM 119 N ILE A 7 -24.187 19.652 -7.999 1.00 16.28 N ATOM 120 CA ILE A 7 -22.934 18.916 -7.966 1.00 15.80 C ATOM 121 C ILE A 7 -22.891 17.942 -9.140 1.00 15.32 C ATOM 122 O ILE A 7 -23.625 16.955 -9.163 1.00 15.18 O ATOM 123 CB ILE A 7 -22.755 18.145 -6.639 1.00 15.71 C ATOM 124 CG1 ILE A 7 -22.905 19.088 -5.439 1.00 16.07 C ATOM 125 CG2 ILE A 7 -21.396 17.458 -6.604 1.00 15.48 C ATOM 126 CD1 ILE A 7 -21.886 20.209 -5.403 1.00 16.36 C ATOM 0 H ILE A 7 -24.990 19.139 -7.634 1.00 16.28 H new ATOM 0 HA ILE A 7 -22.117 19.634 -8.042 1.00 15.80 H new ATOM 0 HB ILE A 7 -23.533 17.385 -6.578 1.00 15.71 H new ATOM 0 HG12 ILE A 7 -23.905 19.521 -5.453 1.00 16.07 H new ATOM 0 HG13 ILE A 7 -22.822 18.506 -4.521 1.00 16.07 H new ATOM 0 HG21 ILE A 7 -21.285 16.919 -5.663 1.00 15.48 H new ATOM 0 HG22 ILE A 7 -21.321 16.757 -7.435 1.00 15.48 H new ATOM 0 HG23 ILE A 7 -20.608 18.206 -6.689 1.00 15.48 H new ATOM 0 HD11 ILE A 7 -22.060 20.831 -4.525 1.00 16.36 H new ATOM 0 HD12 ILE A 7 -20.882 19.787 -5.356 1.00 16.36 H new ATOM 0 HD13 ILE A 7 -21.982 20.817 -6.303 1.00 16.36 H new ATOM 138 N PRO A 8 -22.023 18.205 -10.126 1.00 15.19 N ATOM 139 CA PRO A 8 -21.992 17.453 -11.385 1.00 14.91 C ATOM 140 C PRO A 8 -21.256 16.119 -11.281 1.00 14.32 C ATOM 141 O PRO A 8 -20.570 15.709 -12.219 1.00 14.51 O ATOM 142 CB PRO A 8 -21.241 18.395 -12.322 1.00 15.11 C ATOM 143 CG PRO A 8 -20.305 19.137 -11.433 1.00 15.30 C ATOM 144 CD PRO A 8 -20.993 19.262 -10.097 1.00 15.48 C ATOM 0 HA PRO A 8 -22.995 17.183 -11.714 1.00 14.91 H new ATOM 0 HB2 PRO A 8 -20.703 17.843 -13.092 1.00 15.11 H new ATOM 0 HB3 PRO A 8 -21.924 19.073 -12.834 1.00 15.11 H new ATOM 0 HG2 PRO A 8 -19.359 18.604 -11.334 1.00 15.30 H new ATOM 0 HG3 PRO A 8 -20.076 20.120 -11.845 1.00 15.30 H new ATOM 0 HD2 PRO A 8 -20.294 19.116 -9.273 1.00 15.48 H new ATOM 0 HD3 PRO A 8 -21.437 20.249 -9.967 1.00 15.48 H new ATOM 152 N SER A 9 -21.399 15.441 -10.152 1.00 13.73 N ATOM 153 CA SER A 9 -20.764 14.149 -9.965 1.00 13.20 C ATOM 154 C SER A 9 -21.270 13.480 -8.691 1.00 12.19 C ATOM 155 O SER A 9 -22.007 12.496 -8.759 1.00 11.80 O ATOM 156 CB SER A 9 -19.241 14.311 -9.918 1.00 13.42 C ATOM 157 OG SER A 9 -18.587 13.065 -10.077 1.00 13.76 O ATOM 0 H SER A 9 -21.948 15.764 -9.355 1.00 13.73 H new ATOM 0 HA SER A 9 -21.022 13.510 -10.810 1.00 13.20 H new ATOM 0 HB2 SER A 9 -18.921 14.995 -10.704 1.00 13.42 H new ATOM 0 HB3 SER A 9 -18.950 14.759 -8.968 1.00 13.42 H new ATOM 0 HG SER A 9 -17.720 13.204 -10.512 1.00 13.76 H new ATOM 163 N VAL A 10 -20.894 14.034 -7.539 1.00 11.94 N ATOM 164 CA VAL A 10 -21.247 13.465 -6.237 1.00 11.10 C ATOM 165 C VAL A 10 -20.511 12.146 -6.011 1.00 10.38 C ATOM 166 O VAL A 10 -20.871 11.110 -6.576 1.00 10.56 O ATOM 167 CB VAL A 10 -22.770 13.241 -6.072 1.00 11.34 C ATOM 168 CG1 VAL A 10 -23.087 12.666 -4.698 1.00 11.49 C ATOM 169 CG2 VAL A 10 -23.534 14.538 -6.291 1.00 11.93 C ATOM 0 H VAL A 10 -20.338 14.887 -7.481 1.00 11.94 H new ATOM 0 HA VAL A 10 -20.940 14.196 -5.489 1.00 11.10 H new ATOM 0 HB VAL A 10 -23.087 12.522 -6.828 1.00 11.34 H new ATOM 0 HG11 VAL A 10 -24.163 12.517 -4.605 1.00 11.49 H new ATOM 0 HG12 VAL A 10 -22.577 11.710 -4.577 1.00 11.49 H new ATOM 0 HG13 VAL A 10 -22.749 13.358 -3.927 1.00 11.49 H new ATOM 0 HG21 VAL A 10 -24.602 14.356 -6.170 1.00 11.93 H new ATOM 0 HG22 VAL A 10 -23.207 15.280 -5.562 1.00 11.93 H new ATOM 0 HG23 VAL A 10 -23.341 14.909 -7.298 1.00 11.93 H new ATOM 179 N ARG A 11 -19.465 12.194 -5.202 1.00 9.76 N ATOM 180 CA ARG A 11 -18.689 11.001 -4.887 1.00 9.19 C ATOM 181 C ARG A 11 -18.911 10.568 -3.443 1.00 8.44 C ATOM 182 O ARG A 11 -18.294 11.109 -2.523 1.00 8.32 O ATOM 183 CB ARG A 11 -17.194 11.229 -5.125 1.00 9.37 C ATOM 184 CG ARG A 11 -16.735 10.947 -6.550 1.00 9.61 C ATOM 185 CD ARG A 11 -17.260 11.973 -7.540 1.00 10.18 C ATOM 186 NE ARG A 11 -16.749 13.320 -7.275 1.00 10.69 N ATOM 187 CZ ARG A 11 -15.952 13.997 -8.106 1.00 11.43 C ATOM 188 NH1 ARG A 11 -15.475 13.419 -9.204 1.00 11.75 N ATOM 189 NH2 ARG A 11 -15.607 15.245 -7.821 1.00 12.04 N ATOM 0 H ARG A 11 -19.132 13.046 -4.750 1.00 9.76 H new ATOM 0 HA ARG A 11 -19.034 10.211 -5.553 1.00 9.19 H new ATOM 0 HB2 ARG A 11 -16.952 12.262 -4.876 1.00 9.37 H new ATOM 0 HB3 ARG A 11 -16.629 10.595 -4.442 1.00 9.37 H new ATOM 0 HG2 ARG A 11 -15.646 10.938 -6.583 1.00 9.61 H new ATOM 0 HG3 ARG A 11 -17.071 9.954 -6.847 1.00 9.61 H new ATOM 0 HD2 ARG A 11 -16.981 11.674 -8.550 1.00 10.18 H new ATOM 0 HD3 ARG A 11 -18.349 11.987 -7.501 1.00 10.18 H new ATOM 0 HE ARG A 11 -17.019 13.770 -6.400 1.00 10.69 H new ATOM 0 HH11 ARG A 11 -15.717 12.451 -9.417 1.00 11.75 H new ATOM 0 HH12 ARG A 11 -14.867 13.943 -9.833 1.00 11.75 H new ATOM 0 HH21 ARG A 11 -15.950 15.687 -6.968 1.00 12.04 H new ATOM 0 HH22 ARG A 11 -14.998 15.763 -8.455 1.00 12.04 H new ATOM 203 N PRO A 12 -19.809 9.598 -3.223 1.00 8.19 N ATOM 204 CA PRO A 12 -20.020 9.008 -1.905 1.00 7.75 C ATOM 205 C PRO A 12 -18.840 8.129 -1.514 1.00 6.80 C ATOM 206 O PRO A 12 -18.318 7.377 -2.342 1.00 6.68 O ATOM 207 CB PRO A 12 -21.293 8.161 -2.073 1.00 8.08 C ATOM 208 CG PRO A 12 -21.854 8.534 -3.407 1.00 8.79 C ATOM 209 CD PRO A 12 -20.692 9.000 -4.229 1.00 8.66 C ATOM 0 HA PRO A 12 -20.116 9.759 -1.121 1.00 7.75 H new ATOM 0 HB2 PRO A 12 -21.064 7.096 -2.029 1.00 8.08 H new ATOM 0 HB3 PRO A 12 -22.008 8.366 -1.276 1.00 8.08 H new ATOM 0 HG2 PRO A 12 -22.346 7.682 -3.875 1.00 8.79 H new ATOM 0 HG3 PRO A 12 -22.603 9.320 -3.309 1.00 8.79 H new ATOM 0 HD2 PRO A 12 -20.209 8.175 -4.753 1.00 8.66 H new ATOM 0 HD3 PRO A 12 -20.995 9.725 -4.985 1.00 8.66 H new ATOM 217 N PHE A 13 -18.415 8.225 -0.266 1.00 6.42 N ATOM 218 CA PHE A 13 -17.241 7.495 0.188 1.00 5.76 C ATOM 219 C PHE A 13 -17.595 6.037 0.454 1.00 4.90 C ATOM 220 O PHE A 13 -18.107 5.689 1.517 1.00 4.75 O ATOM 221 CB PHE A 13 -16.658 8.157 1.439 1.00 6.03 C ATOM 222 CG PHE A 13 -16.456 9.639 1.276 1.00 7.08 C ATOM 223 CD1 PHE A 13 -15.915 10.153 0.106 1.00 7.67 C ATOM 224 CD2 PHE A 13 -16.828 10.519 2.277 1.00 7.73 C ATOM 225 CE1 PHE A 13 -15.746 11.514 -0.056 1.00 8.79 C ATOM 226 CE2 PHE A 13 -16.663 11.881 2.120 1.00 8.84 C ATOM 227 CZ PHE A 13 -16.122 12.380 0.952 1.00 9.33 C ATOM 0 H PHE A 13 -18.862 8.798 0.449 1.00 6.42 H new ATOM 0 HA PHE A 13 -16.483 7.521 -0.595 1.00 5.76 H new ATOM 0 HB2 PHE A 13 -17.324 7.977 2.283 1.00 6.03 H new ATOM 0 HB3 PHE A 13 -15.703 7.689 1.680 1.00 6.03 H new ATOM 0 HD1 PHE A 13 -15.623 9.481 -0.687 1.00 7.67 H new ATOM 0 HD2 PHE A 13 -17.253 10.136 3.193 1.00 7.73 H new ATOM 0 HE1 PHE A 13 -15.320 11.901 -0.970 1.00 8.79 H new ATOM 0 HE2 PHE A 13 -16.957 12.556 2.911 1.00 8.84 H new ATOM 0 HZ PHE A 13 -15.993 13.445 0.827 1.00 9.33 H new ATOM 237 N LYS A 14 -17.331 5.195 -0.538 1.00 4.79 N ATOM 238 CA LYS A 14 -17.686 3.783 -0.471 1.00 4.42 C ATOM 239 C LYS A 14 -16.792 3.046 0.517 1.00 3.77 C ATOM 240 O LYS A 14 -17.275 2.334 1.398 1.00 4.11 O ATOM 241 CB LYS A 14 -17.562 3.139 -1.855 1.00 5.56 C ATOM 242 CG LYS A 14 -18.273 3.904 -2.961 1.00 6.23 C ATOM 243 CD LYS A 14 -19.769 4.009 -2.712 1.00 6.88 C ATOM 244 CE LYS A 14 -20.462 4.787 -3.821 1.00 7.76 C ATOM 245 NZ LYS A 14 -20.279 4.142 -5.148 1.00 8.26 N ATOM 0 H LYS A 14 -16.869 5.469 -1.405 1.00 4.79 H new ATOM 0 HA LYS A 14 -18.719 3.710 -0.130 1.00 4.42 H new ATOM 0 HB2 LYS A 14 -16.506 3.051 -2.110 1.00 5.56 H new ATOM 0 HB3 LYS A 14 -17.965 2.127 -1.811 1.00 5.56 H new ATOM 0 HG2 LYS A 14 -17.848 4.905 -3.040 1.00 6.23 H new ATOM 0 HG3 LYS A 14 -18.099 3.407 -3.915 1.00 6.23 H new ATOM 0 HD2 LYS A 14 -20.199 3.010 -2.643 1.00 6.88 H new ATOM 0 HD3 LYS A 14 -19.947 4.500 -1.755 1.00 6.88 H new ATOM 0 HE2 LYS A 14 -21.526 4.865 -3.599 1.00 7.76 H new ATOM 0 HE3 LYS A 14 -20.067 5.803 -3.853 1.00 7.76 H new ATOM 0 HZ1 LYS A 14 -21.188 4.123 -5.653 1.00 8.26 H new ATOM 0 HZ2 LYS A 14 -19.585 4.682 -5.704 1.00 8.26 H new ATOM 0 HZ3 LYS A 14 -19.936 3.169 -5.017 1.00 8.26 H new ATOM 259 N GLN A 15 -15.489 3.226 0.364 1.00 3.29 N ATOM 260 CA GLN A 15 -14.521 2.578 1.233 1.00 3.10 C ATOM 261 C GLN A 15 -14.273 3.436 2.466 1.00 2.14 C ATOM 262 O GLN A 15 -14.523 3.004 3.591 1.00 2.46 O ATOM 263 CB GLN A 15 -13.212 2.333 0.477 1.00 3.83 C ATOM 264 CG GLN A 15 -12.140 1.639 1.307 1.00 4.82 C ATOM 265 CD GLN A 15 -10.848 1.421 0.536 1.00 5.82 C ATOM 266 OE1 GLN A 15 -10.957 1.215 -0.767 1.00 6.53 O flip ATOM 267 NE2 GLN A 15 -9.762 1.427 1.111 1.00 6.14 N flip ATOM 0 H GLN A 15 -15.077 3.818 -0.357 1.00 3.29 H new ATOM 0 HA GLN A 15 -14.920 1.615 1.552 1.00 3.10 H new ATOM 0 HB2 GLN A 15 -13.421 1.729 -0.406 1.00 3.83 H new ATOM 0 HB3 GLN A 15 -12.823 3.288 0.125 1.00 3.83 H new ATOM 0 HG2 GLN A 15 -11.932 2.236 2.195 1.00 4.82 H new ATOM 0 HG3 GLN A 15 -12.519 0.677 1.651 1.00 4.82 H new ATOM 0 HE21 GLN A 15 -9.718 1.589 2.117 1.00 6.14 H new ATOM 0 HE22 GLN A 15 -8.904 1.270 0.582 1.00 6.14 H new ATOM 276 N ARG A 16 -13.803 4.658 2.234 1.00 1.86 N ATOM 277 CA ARG A 16 -13.518 5.601 3.310 1.00 1.88 C ATOM 278 C ARG A 16 -13.079 6.928 2.716 1.00 1.53 C ATOM 279 O ARG A 16 -13.621 7.983 3.041 1.00 1.61 O ATOM 280 CB ARG A 16 -12.433 5.049 4.241 1.00 2.83 C ATOM 281 CG ARG A 16 -12.112 5.954 5.421 1.00 3.53 C ATOM 282 CD ARG A 16 -11.264 5.231 6.454 1.00 4.61 C ATOM 283 NE ARG A 16 -11.971 4.086 7.025 1.00 5.06 N ATOM 284 CZ ARG A 16 -11.376 3.066 7.644 1.00 6.06 C ATOM 285 NH1 ARG A 16 -10.056 3.043 7.779 1.00 6.69 N ATOM 286 NH2 ARG A 16 -12.107 2.071 8.132 1.00 6.68 N ATOM 0 H ARG A 16 -13.610 5.021 1.300 1.00 1.86 H new ATOM 0 HA ARG A 16 -14.423 5.751 3.898 1.00 1.88 H new ATOM 0 HB2 ARG A 16 -12.752 4.077 4.618 1.00 2.83 H new ATOM 0 HB3 ARG A 16 -11.523 4.884 3.664 1.00 2.83 H new ATOM 0 HG2 ARG A 16 -11.584 6.841 5.070 1.00 3.53 H new ATOM 0 HG3 ARG A 16 -13.038 6.296 5.882 1.00 3.53 H new ATOM 0 HD2 ARG A 16 -10.336 4.893 5.992 1.00 4.61 H new ATOM 0 HD3 ARG A 16 -10.990 5.924 7.250 1.00 4.61 H new ATOM 0 HE ARG A 16 -12.988 4.066 6.944 1.00 5.06 H new ATOM 0 HH11 ARG A 16 -9.492 3.808 7.408 1.00 6.69 H new ATOM 0 HH12 ARG A 16 -9.605 2.260 8.253 1.00 6.69 H new ATOM 0 HH21 ARG A 16 -13.122 2.088 8.033 1.00 6.68 H new ATOM 0 HH22 ARG A 16 -11.654 1.290 8.606 1.00 6.68 H new ATOM 300 N LYS A 17 -12.096 6.871 1.834 1.00 1.34 N ATOM 301 CA LYS A 17 -11.649 8.053 1.120 1.00 1.09 C ATOM 302 C LYS A 17 -11.839 7.859 -0.377 1.00 1.00 C ATOM 303 O LYS A 17 -11.745 6.738 -0.886 1.00 1.08 O ATOM 304 CB LYS A 17 -10.183 8.364 1.434 1.00 1.13 C ATOM 305 CG LYS A 17 -9.215 7.264 1.037 1.00 1.70 C ATOM 306 CD LYS A 17 -7.775 7.702 1.243 1.00 2.23 C ATOM 307 CE LYS A 17 -6.800 6.570 0.963 1.00 3.20 C ATOM 308 NZ LYS A 17 -7.045 5.398 1.846 1.00 3.96 N ATOM 0 H LYS A 17 -11.592 6.017 1.595 1.00 1.34 H new ATOM 0 HA LYS A 17 -12.251 8.900 1.449 1.00 1.09 H new ATOM 0 HB2 LYS A 17 -9.900 9.284 0.922 1.00 1.13 H new ATOM 0 HB3 LYS A 17 -10.084 8.551 2.503 1.00 1.13 H new ATOM 0 HG2 LYS A 17 -9.414 6.370 1.627 1.00 1.70 H new ATOM 0 HG3 LYS A 17 -9.371 6.998 -0.008 1.00 1.70 H new ATOM 0 HD2 LYS A 17 -7.553 8.544 0.588 1.00 2.23 H new ATOM 0 HD3 LYS A 17 -7.643 8.051 2.267 1.00 2.23 H new ATOM 0 HE2 LYS A 17 -6.888 6.264 -0.080 1.00 3.20 H new ATOM 0 HE3 LYS A 17 -5.780 6.926 1.106 1.00 3.20 H new ATOM 0 HZ1 LYS A 17 -6.211 4.776 1.837 1.00 3.96 H new ATOM 0 HZ2 LYS A 17 -7.222 5.726 2.817 1.00 3.96 H new ATOM 0 HZ3 LYS A 17 -7.873 4.871 1.502 1.00 3.96 H new ATOM 322 N SER A 18 -12.126 8.943 -1.071 1.00 0.92 N ATOM 323 CA SER A 18 -12.340 8.902 -2.504 1.00 0.91 C ATOM 324 C SER A 18 -11.035 9.160 -3.241 1.00 0.80 C ATOM 325 O SER A 18 -9.994 9.347 -2.610 1.00 0.72 O ATOM 326 CB SER A 18 -13.373 9.956 -2.891 1.00 0.97 C ATOM 327 OG SER A 18 -12.934 11.247 -2.505 1.00 0.91 O ATOM 0 H SER A 18 -12.217 9.872 -0.660 1.00 0.92 H new ATOM 0 HA SER A 18 -12.706 7.914 -2.782 1.00 0.91 H new ATOM 0 HB2 SER A 18 -13.542 9.930 -3.967 1.00 0.97 H new ATOM 0 HB3 SER A 18 -14.327 9.732 -2.413 1.00 0.97 H new ATOM 0 HG SER A 18 -13.659 11.713 -2.039 1.00 0.91 H new ATOM 333 N LEU A 19 -11.087 9.190 -4.564 1.00 0.83 N ATOM 334 CA LEU A 19 -9.913 9.505 -5.364 1.00 0.79 C ATOM 335 C LEU A 19 -9.466 10.931 -5.078 1.00 0.74 C ATOM 336 O LEU A 19 -8.280 11.204 -4.879 1.00 0.66 O ATOM 337 CB LEU A 19 -10.225 9.335 -6.854 1.00 0.91 C ATOM 338 CG LEU A 19 -9.186 9.916 -7.811 1.00 0.95 C ATOM 339 CD1 LEU A 19 -7.849 9.206 -7.660 1.00 0.91 C ATOM 340 CD2 LEU A 19 -9.679 9.825 -9.245 1.00 1.11 C ATOM 0 H LEU A 19 -11.930 9.000 -5.107 1.00 0.83 H new ATOM 0 HA LEU A 19 -9.108 8.820 -5.100 1.00 0.79 H new ATOM 0 HB2 LEU A 19 -10.335 8.271 -7.066 1.00 0.91 H new ATOM 0 HB3 LEU A 19 -11.187 9.802 -7.062 1.00 0.91 H new ATOM 0 HG LEU A 19 -9.040 10.966 -7.558 1.00 0.95 H new ATOM 0 HD11 LEU A 19 -7.127 9.639 -8.353 1.00 0.91 H new ATOM 0 HD12 LEU A 19 -7.488 9.324 -6.638 1.00 0.91 H new ATOM 0 HD13 LEU A 19 -7.973 8.146 -7.881 1.00 0.91 H new ATOM 0 HD21 LEU A 19 -8.928 10.243 -9.915 1.00 1.11 H new ATOM 0 HD22 LEU A 19 -9.855 8.781 -9.504 1.00 1.11 H new ATOM 0 HD23 LEU A 19 -10.608 10.386 -9.347 1.00 1.11 H new ATOM 352 N ALA A 20 -10.434 11.830 -5.044 1.00 0.80 N ATOM 353 CA ALA A 20 -10.181 13.225 -4.729 1.00 0.81 C ATOM 354 C ALA A 20 -9.584 13.382 -3.334 1.00 0.72 C ATOM 355 O ALA A 20 -8.668 14.184 -3.133 1.00 0.71 O ATOM 356 CB ALA A 20 -11.461 14.026 -4.860 1.00 0.94 C ATOM 0 H ALA A 20 -11.413 11.615 -5.233 1.00 0.80 H new ATOM 0 HA ALA A 20 -9.450 13.608 -5.441 1.00 0.81 H new ATOM 0 HB1 ALA A 20 -11.262 15.071 -4.622 1.00 0.94 H new ATOM 0 HB2 ALA A 20 -11.834 13.951 -5.881 1.00 0.94 H new ATOM 0 HB3 ALA A 20 -12.208 13.633 -4.171 1.00 0.94 H new ATOM 362 N ILE A 21 -10.090 12.619 -2.369 1.00 0.71 N ATOM 363 CA ILE A 21 -9.526 12.656 -1.027 1.00 0.69 C ATOM 364 C ILE A 21 -8.110 12.095 -1.027 1.00 0.56 C ATOM 365 O ILE A 21 -7.264 12.553 -0.268 1.00 0.53 O ATOM 366 CB ILE A 21 -10.372 11.888 0.009 1.00 0.82 C ATOM 367 CG1 ILE A 21 -11.765 12.505 0.133 1.00 0.97 C ATOM 368 CG2 ILE A 21 -9.672 11.894 1.361 1.00 0.88 C ATOM 369 CD1 ILE A 21 -12.629 11.847 1.187 1.00 1.64 C ATOM 0 H ILE A 21 -10.875 11.979 -2.489 1.00 0.71 H new ATOM 0 HA ILE A 21 -9.519 13.706 -0.733 1.00 0.69 H new ATOM 0 HB ILE A 21 -10.482 10.858 -0.329 1.00 0.82 H new ATOM 0 HG12 ILE A 21 -11.664 13.565 0.368 1.00 0.97 H new ATOM 0 HG13 ILE A 21 -12.269 12.439 -0.831 1.00 0.97 H new ATOM 0 HG21 ILE A 21 -10.277 11.349 2.086 1.00 0.88 H new ATOM 0 HG22 ILE A 21 -8.697 11.415 1.268 1.00 0.88 H new ATOM 0 HG23 ILE A 21 -9.540 12.922 1.698 1.00 0.88 H new ATOM 0 HD11 ILE A 21 -13.602 12.337 1.218 1.00 1.64 H new ATOM 0 HD12 ILE A 21 -12.761 10.793 0.943 1.00 1.64 H new ATOM 0 HD13 ILE A 21 -12.147 11.936 2.160 1.00 1.64 H new ATOM 381 N ARG A 22 -7.847 11.116 -1.892 1.00 0.52 N ATOM 382 CA ARG A 22 -6.503 10.549 -1.998 1.00 0.44 C ATOM 383 C ARG A 22 -5.518 11.655 -2.340 1.00 0.40 C ATOM 384 O ARG A 22 -4.443 11.757 -1.752 1.00 0.39 O ATOM 385 CB ARG A 22 -6.429 9.460 -3.074 1.00 0.45 C ATOM 386 CG ARG A 22 -7.196 8.186 -2.756 1.00 0.71 C ATOM 387 CD ARG A 22 -7.036 7.173 -3.882 1.00 1.22 C ATOM 388 NE ARG A 22 -7.804 5.946 -3.665 1.00 1.53 N ATOM 389 CZ ARG A 22 -7.655 4.844 -4.404 1.00 2.00 C ATOM 390 NH1 ARG A 22 -6.753 4.812 -5.380 1.00 2.59 N ATOM 391 NH2 ARG A 22 -8.401 3.773 -4.164 1.00 2.26 N ATOM 0 H ARG A 22 -8.536 10.704 -2.521 1.00 0.52 H new ATOM 0 HA ARG A 22 -6.253 10.095 -1.039 1.00 0.44 H new ATOM 0 HB2 ARG A 22 -6.808 9.870 -4.010 1.00 0.45 H new ATOM 0 HB3 ARG A 22 -5.382 9.204 -3.239 1.00 0.45 H new ATOM 0 HG2 ARG A 22 -6.833 7.760 -1.821 1.00 0.71 H new ATOM 0 HG3 ARG A 22 -8.252 8.416 -2.613 1.00 0.71 H new ATOM 0 HD2 ARG A 22 -7.350 7.630 -4.821 1.00 1.22 H new ATOM 0 HD3 ARG A 22 -5.981 6.920 -3.988 1.00 1.22 H new ATOM 0 HE ARG A 22 -8.489 5.932 -2.909 1.00 1.53 H new ATOM 0 HH11 ARG A 22 -6.173 5.630 -5.566 1.00 2.59 H new ATOM 0 HH12 ARG A 22 -6.641 3.969 -5.943 1.00 2.59 H new ATOM 0 HH21 ARG A 22 -9.091 3.790 -3.413 1.00 2.26 H new ATOM 0 HH22 ARG A 22 -8.284 2.933 -4.731 1.00 2.26 H new ATOM 405 N GLN A 23 -5.928 12.502 -3.278 1.00 0.46 N ATOM 406 CA GLN A 23 -5.124 13.629 -3.716 1.00 0.51 C ATOM 407 C GLN A 23 -4.848 14.575 -2.548 1.00 0.50 C ATOM 408 O GLN A 23 -3.742 15.090 -2.402 1.00 0.52 O ATOM 409 CB GLN A 23 -5.852 14.375 -4.838 1.00 0.68 C ATOM 410 CG GLN A 23 -5.007 15.422 -5.540 1.00 1.29 C ATOM 411 CD GLN A 23 -3.810 14.820 -6.247 1.00 1.51 C ATOM 412 OE1 GLN A 23 -2.721 14.726 -5.683 1.00 2.16 O ATOM 413 NE2 GLN A 23 -4.008 14.394 -7.483 1.00 1.97 N ATOM 0 H GLN A 23 -6.827 12.424 -3.754 1.00 0.46 H new ATOM 0 HA GLN A 23 -4.170 13.258 -4.091 1.00 0.51 H new ATOM 0 HB2 GLN A 23 -6.199 13.651 -5.575 1.00 0.68 H new ATOM 0 HB3 GLN A 23 -6.737 14.857 -4.424 1.00 0.68 H new ATOM 0 HG2 GLN A 23 -5.623 15.956 -6.264 1.00 1.29 H new ATOM 0 HG3 GLN A 23 -4.664 16.156 -4.811 1.00 1.29 H new ATOM 0 HE21 GLN A 23 -4.927 14.491 -7.915 1.00 1.97 H new ATOM 0 HE22 GLN A 23 -3.242 13.969 -8.005 1.00 1.97 H new ATOM 422 N GLU A 24 -5.858 14.783 -1.709 1.00 0.53 N ATOM 423 CA GLU A 24 -5.729 15.675 -0.563 1.00 0.59 C ATOM 424 C GLU A 24 -4.887 15.048 0.536 1.00 0.55 C ATOM 425 O GLU A 24 -3.967 15.670 1.064 1.00 0.54 O ATOM 426 CB GLU A 24 -7.102 16.013 -0.003 1.00 0.71 C ATOM 427 CG GLU A 24 -7.933 16.900 -0.908 1.00 1.20 C ATOM 428 CD GLU A 24 -9.254 17.289 -0.279 1.00 2.01 C ATOM 429 OE1 GLU A 24 -10.229 16.517 -0.398 1.00 2.83 O ATOM 430 OE2 GLU A 24 -9.328 18.373 0.336 1.00 2.49 O ATOM 0 H GLU A 24 -6.775 14.346 -1.802 1.00 0.53 H new ATOM 0 HA GLU A 24 -5.234 16.583 -0.908 1.00 0.59 H new ATOM 0 HB2 GLU A 24 -7.646 15.087 0.181 1.00 0.71 H new ATOM 0 HB3 GLU A 24 -6.979 16.507 0.961 1.00 0.71 H new ATOM 0 HG2 GLU A 24 -7.368 17.801 -1.147 1.00 1.20 H new ATOM 0 HG3 GLU A 24 -8.120 16.382 -1.848 1.00 1.20 H new ATOM 437 N GLU A 25 -5.229 13.822 0.878 1.00 0.56 N ATOM 438 CA GLU A 25 -4.561 13.097 1.946 1.00 0.56 C ATOM 439 C GLU A 25 -3.066 12.970 1.669 1.00 0.49 C ATOM 440 O GLU A 25 -2.246 13.271 2.535 1.00 0.50 O ATOM 441 CB GLU A 25 -5.195 11.713 2.095 1.00 0.62 C ATOM 442 CG GLU A 25 -4.617 10.882 3.224 1.00 1.29 C ATOM 443 CD GLU A 25 -5.351 9.574 3.412 1.00 1.57 C ATOM 444 OE1 GLU A 25 -4.973 8.571 2.775 1.00 2.30 O ATOM 445 OE2 GLU A 25 -6.309 9.535 4.213 1.00 1.87 O ATOM 0 H GLU A 25 -5.978 13.298 0.425 1.00 0.56 H new ATOM 0 HA GLU A 25 -4.681 13.653 2.876 1.00 0.56 H new ATOM 0 HB2 GLU A 25 -6.266 11.832 2.258 1.00 0.62 H new ATOM 0 HB3 GLU A 25 -5.074 11.168 1.159 1.00 0.62 H new ATOM 0 HG2 GLU A 25 -3.566 10.679 3.021 1.00 1.29 H new ATOM 0 HG3 GLU A 25 -4.658 11.455 4.151 1.00 1.29 H new ATOM 452 N VAL A 26 -2.723 12.563 0.451 1.00 0.44 N ATOM 453 CA VAL A 26 -1.330 12.421 0.054 1.00 0.42 C ATOM 454 C VAL A 26 -0.631 13.770 0.090 1.00 0.44 C ATOM 455 O VAL A 26 0.513 13.883 0.538 1.00 0.46 O ATOM 456 CB VAL A 26 -1.210 11.791 -1.357 1.00 0.43 C ATOM 457 CG1 VAL A 26 -1.384 12.806 -2.479 1.00 1.21 C ATOM 458 CG2 VAL A 26 0.104 11.043 -1.503 1.00 0.85 C ATOM 0 H VAL A 26 -3.395 12.325 -0.279 1.00 0.44 H new ATOM 0 HA VAL A 26 -0.844 11.752 0.764 1.00 0.42 H new ATOM 0 HB VAL A 26 -2.032 11.082 -1.452 1.00 0.43 H new ATOM 0 HG11 VAL A 26 -1.289 12.304 -3.442 1.00 1.21 H new ATOM 0 HG12 VAL A 26 -2.370 13.265 -2.405 1.00 1.21 H new ATOM 0 HG13 VAL A 26 -0.618 13.576 -2.395 1.00 1.21 H new ATOM 0 HG21 VAL A 26 0.167 10.609 -2.501 1.00 0.85 H new ATOM 0 HG22 VAL A 26 0.934 11.734 -1.355 1.00 0.85 H new ATOM 0 HG23 VAL A 26 0.155 10.249 -0.758 1.00 0.85 H new ATOM 468 N ALA A 27 -1.344 14.784 -0.373 1.00 0.46 N ATOM 469 CA ALA A 27 -0.840 16.154 -0.372 1.00 0.51 C ATOM 470 C ALA A 27 -0.506 16.602 1.042 1.00 0.54 C ATOM 471 O ALA A 27 0.580 17.130 1.293 1.00 0.59 O ATOM 472 CB ALA A 27 -1.859 17.094 -0.999 1.00 0.55 C ATOM 0 H ALA A 27 -2.283 14.685 -0.759 1.00 0.46 H new ATOM 0 HA ALA A 27 0.073 16.184 -0.966 1.00 0.51 H new ATOM 0 HB1 ALA A 27 -1.469 18.112 -0.991 1.00 0.55 H new ATOM 0 HB2 ALA A 27 -2.052 16.788 -2.027 1.00 0.55 H new ATOM 0 HB3 ALA A 27 -2.787 17.057 -0.429 1.00 0.55 H new ATOM 478 N GLY A 28 -1.431 16.360 1.962 1.00 0.54 N ATOM 479 CA GLY A 28 -1.216 16.714 3.353 1.00 0.59 C ATOM 480 C GLY A 28 -0.056 15.959 3.973 1.00 0.58 C ATOM 481 O GLY A 28 0.796 16.553 4.633 1.00 0.65 O ATOM 0 H GLY A 28 -2.332 15.922 1.769 1.00 0.54 H new ATOM 0 HA2 GLY A 28 -1.029 17.785 3.427 1.00 0.59 H new ATOM 0 HA3 GLY A 28 -2.123 16.509 3.921 1.00 0.59 H new ATOM 485 N ILE A 29 -0.016 14.649 3.751 1.00 0.52 N ATOM 486 CA ILE A 29 1.039 13.806 4.310 1.00 0.53 C ATOM 487 C ILE A 29 2.413 14.226 3.791 1.00 0.53 C ATOM 488 O ILE A 29 3.342 14.432 4.571 1.00 0.58 O ATOM 489 CB ILE A 29 0.811 12.313 3.971 1.00 0.51 C ATOM 490 CG1 ILE A 29 -0.535 11.837 4.521 1.00 0.53 C ATOM 491 CG2 ILE A 29 1.940 11.460 4.536 1.00 0.57 C ATOM 492 CD1 ILE A 29 -0.999 10.521 3.933 1.00 0.53 C ATOM 0 H ILE A 29 -0.702 14.146 3.188 1.00 0.52 H new ATOM 0 HA ILE A 29 1.004 13.936 5.392 1.00 0.53 H new ATOM 0 HB ILE A 29 0.801 12.206 2.886 1.00 0.51 H new ATOM 0 HG12 ILE A 29 -0.460 11.735 5.604 1.00 0.53 H new ATOM 0 HG13 ILE A 29 -1.289 12.599 4.324 1.00 0.53 H new ATOM 0 HG21 ILE A 29 1.764 10.413 4.289 1.00 0.57 H new ATOM 0 HG22 ILE A 29 2.889 11.780 4.105 1.00 0.57 H new ATOM 0 HG23 ILE A 29 1.976 11.576 5.619 1.00 0.57 H new ATOM 0 HD11 ILE A 29 -1.959 10.246 4.369 1.00 0.53 H new ATOM 0 HD12 ILE A 29 -1.107 10.623 2.853 1.00 0.53 H new ATOM 0 HD13 ILE A 29 -0.265 9.745 4.153 1.00 0.53 H new ATOM 504 N ARG A 30 2.524 14.380 2.477 1.00 0.53 N ATOM 505 CA ARG A 30 3.798 14.700 1.841 1.00 0.59 C ATOM 506 C ARG A 30 4.265 16.112 2.209 1.00 0.67 C ATOM 507 O ARG A 30 5.462 16.402 2.210 1.00 0.74 O ATOM 508 CB ARG A 30 3.671 14.554 0.322 1.00 0.66 C ATOM 509 CG ARG A 30 4.973 14.763 -0.438 1.00 1.04 C ATOM 510 CD ARG A 30 6.029 13.746 -0.030 1.00 1.50 C ATOM 511 NE ARG A 30 7.265 13.917 -0.791 1.00 1.96 N ATOM 512 CZ ARG A 30 8.451 13.448 -0.413 1.00 2.66 C ATOM 513 NH1 ARG A 30 8.573 12.759 0.715 1.00 3.06 N ATOM 514 NH2 ARG A 30 9.516 13.675 -1.168 1.00 3.31 N ATOM 0 H ARG A 30 1.743 14.288 1.827 1.00 0.53 H new ATOM 0 HA ARG A 30 4.549 14.000 2.206 1.00 0.59 H new ATOM 0 HB2 ARG A 30 3.287 13.559 0.095 1.00 0.66 H new ATOM 0 HB3 ARG A 30 2.934 15.271 -0.040 1.00 0.66 H new ATOM 0 HG2 ARG A 30 4.786 14.685 -1.509 1.00 1.04 H new ATOM 0 HG3 ARG A 30 5.346 15.770 -0.252 1.00 1.04 H new ATOM 0 HD2 ARG A 30 6.240 13.847 1.035 1.00 1.50 H new ATOM 0 HD3 ARG A 30 5.643 12.738 -0.184 1.00 1.50 H new ATOM 0 HE ARG A 30 7.215 14.430 -1.671 1.00 1.96 H new ATOM 0 HH11 ARG A 30 7.754 12.586 1.298 1.00 3.06 H new ATOM 0 HH12 ARG A 30 9.486 12.402 0.999 1.00 3.06 H new ATOM 0 HH21 ARG A 30 9.424 14.207 -2.034 1.00 3.31 H new ATOM 0 HH22 ARG A 30 10.428 13.318 -0.884 1.00 3.31 H new ATOM 528 N ALA A 31 3.316 16.987 2.518 1.00 0.69 N ATOM 529 CA ALA A 31 3.638 18.350 2.916 1.00 0.81 C ATOM 530 C ALA A 31 4.054 18.402 4.381 1.00 0.80 C ATOM 531 O ALA A 31 4.954 19.154 4.763 1.00 0.90 O ATOM 532 CB ALA A 31 2.448 19.266 2.676 1.00 0.91 C ATOM 0 H ALA A 31 2.318 16.777 2.500 1.00 0.69 H new ATOM 0 HA ALA A 31 4.475 18.693 2.308 1.00 0.81 H new ATOM 0 HB1 ALA A 31 2.704 20.282 2.978 1.00 0.91 H new ATOM 0 HB2 ALA A 31 2.189 19.257 1.617 1.00 0.91 H new ATOM 0 HB3 ALA A 31 1.597 18.917 3.260 1.00 0.91 H new ATOM 538 N LYS A 32 3.392 17.594 5.195 1.00 0.71 N ATOM 539 CA LYS A 32 3.645 17.555 6.626 1.00 0.74 C ATOM 540 C LYS A 32 4.914 16.757 6.933 1.00 0.67 C ATOM 541 O LYS A 32 5.631 17.052 7.895 1.00 0.67 O ATOM 542 CB LYS A 32 2.428 16.956 7.339 1.00 0.78 C ATOM 543 CG LYS A 32 2.574 16.830 8.848 1.00 1.55 C ATOM 544 CD LYS A 32 1.237 16.519 9.511 1.00 1.87 C ATOM 545 CE LYS A 32 0.560 15.308 8.886 1.00 2.30 C ATOM 546 NZ LYS A 32 -0.752 15.013 9.521 1.00 3.00 N ATOM 0 H LYS A 32 2.666 16.949 4.883 1.00 0.71 H new ATOM 0 HA LYS A 32 3.804 18.570 6.991 1.00 0.74 H new ATOM 0 HB2 LYS A 32 1.556 17.574 7.122 1.00 0.78 H new ATOM 0 HB3 LYS A 32 2.230 15.968 6.923 1.00 0.78 H new ATOM 0 HG2 LYS A 32 3.290 16.042 9.081 1.00 1.55 H new ATOM 0 HG3 LYS A 32 2.977 17.757 9.255 1.00 1.55 H new ATOM 0 HD2 LYS A 32 1.393 16.339 10.575 1.00 1.87 H new ATOM 0 HD3 LYS A 32 0.580 17.385 9.427 1.00 1.87 H new ATOM 0 HE2 LYS A 32 0.415 15.484 7.820 1.00 2.30 H new ATOM 0 HE3 LYS A 32 1.212 14.439 8.980 1.00 2.30 H new ATOM 0 HZ1 LYS A 32 -1.179 14.181 9.066 1.00 3.00 H new ATOM 0 HZ2 LYS A 32 -0.612 14.820 10.533 1.00 3.00 H new ATOM 0 HZ3 LYS A 32 -1.384 15.831 9.409 1.00 3.00 H new ATOM 560 N PHE A 33 5.190 15.757 6.109 1.00 0.62 N ATOM 561 CA PHE A 33 6.386 14.940 6.263 1.00 0.56 C ATOM 562 C PHE A 33 7.176 14.890 4.956 1.00 0.50 C ATOM 563 O PHE A 33 7.010 13.967 4.161 1.00 0.47 O ATOM 564 CB PHE A 33 6.017 13.519 6.696 1.00 0.56 C ATOM 565 CG PHE A 33 5.326 13.437 8.026 1.00 0.68 C ATOM 566 CD1 PHE A 33 6.032 13.636 9.200 1.00 1.21 C ATOM 567 CD2 PHE A 33 3.972 13.150 8.104 1.00 1.42 C ATOM 568 CE1 PHE A 33 5.404 13.552 10.427 1.00 1.30 C ATOM 569 CE2 PHE A 33 3.339 13.063 9.329 1.00 1.49 C ATOM 570 CZ PHE A 33 4.055 13.265 10.491 1.00 0.93 C ATOM 0 H PHE A 33 4.598 15.490 5.322 1.00 0.62 H new ATOM 0 HA PHE A 33 7.006 15.395 7.035 1.00 0.56 H new ATOM 0 HB2 PHE A 33 5.372 13.077 5.937 1.00 0.56 H new ATOM 0 HB3 PHE A 33 6.924 12.916 6.734 1.00 0.56 H new ATOM 0 HD1 PHE A 33 7.088 13.860 9.156 1.00 1.21 H new ATOM 0 HD2 PHE A 33 3.406 12.993 7.198 1.00 1.42 H new ATOM 0 HE1 PHE A 33 5.967 13.711 11.335 1.00 1.30 H new ATOM 0 HE2 PHE A 33 2.284 12.837 9.377 1.00 1.49 H new ATOM 0 HZ PHE A 33 3.561 13.199 11.449 1.00 0.93 H new ATOM 580 N PRO A 34 8.058 15.875 4.723 1.00 0.55 N ATOM 581 CA PRO A 34 8.853 15.953 3.488 1.00 0.55 C ATOM 582 C PRO A 34 9.878 14.828 3.375 1.00 0.48 C ATOM 583 O PRO A 34 10.339 14.491 2.284 1.00 0.52 O ATOM 584 CB PRO A 34 9.564 17.300 3.604 1.00 0.68 C ATOM 585 CG PRO A 34 9.596 17.601 5.062 1.00 0.74 C ATOM 586 CD PRO A 34 8.345 16.998 5.635 1.00 0.66 C ATOM 0 HA PRO A 34 8.225 15.857 2.602 1.00 0.55 H new ATOM 0 HB2 PRO A 34 10.571 17.250 3.190 1.00 0.68 H new ATOM 0 HB3 PRO A 34 9.031 18.075 3.054 1.00 0.68 H new ATOM 0 HG2 PRO A 34 10.484 17.175 5.529 1.00 0.74 H new ATOM 0 HG3 PRO A 34 9.627 18.676 5.238 1.00 0.74 H new ATOM 0 HD2 PRO A 34 8.496 16.656 6.659 1.00 0.66 H new ATOM 0 HD3 PRO A 34 7.526 17.717 5.657 1.00 0.66 H new ATOM 594 N ASN A 35 10.233 14.257 4.513 1.00 0.44 N ATOM 595 CA ASN A 35 11.209 13.176 4.558 1.00 0.44 C ATOM 596 C ASN A 35 10.522 11.817 4.411 1.00 0.38 C ATOM 597 O ASN A 35 11.172 10.805 4.154 1.00 0.43 O ATOM 598 CB ASN A 35 12.002 13.243 5.871 1.00 0.54 C ATOM 599 CG ASN A 35 13.093 12.187 5.970 1.00 1.32 C ATOM 600 OD1 ASN A 35 12.873 11.099 6.504 1.00 2.16 O ATOM 601 ND2 ASN A 35 14.276 12.504 5.472 1.00 1.83 N ATOM 0 H ASN A 35 9.859 14.524 5.424 1.00 0.44 H new ATOM 0 HA ASN A 35 11.900 13.294 3.723 1.00 0.44 H new ATOM 0 HB2 ASN A 35 12.453 14.231 5.965 1.00 0.54 H new ATOM 0 HB3 ASN A 35 11.315 13.125 6.709 1.00 0.54 H new ATOM 0 HD21 ASN A 35 15.046 11.837 5.522 1.00 1.83 H new ATOM 0 HD22 ASN A 35 14.419 13.416 5.037 1.00 1.83 H new ATOM 608 N LYS A 36 9.202 11.804 4.544 1.00 0.36 N ATOM 609 CA LYS A 36 8.450 10.555 4.499 1.00 0.40 C ATOM 610 C LYS A 36 7.592 10.475 3.240 1.00 0.36 C ATOM 611 O LYS A 36 7.172 11.493 2.687 1.00 0.56 O ATOM 612 CB LYS A 36 7.572 10.407 5.744 1.00 0.54 C ATOM 613 CG LYS A 36 8.348 10.501 7.050 1.00 0.89 C ATOM 614 CD LYS A 36 7.426 10.380 8.254 1.00 1.58 C ATOM 615 CE LYS A 36 8.156 10.689 9.553 1.00 1.56 C ATOM 616 NZ LYS A 36 9.175 9.660 9.892 1.00 2.03 N ATOM 0 H LYS A 36 8.632 12.638 4.683 1.00 0.36 H new ATOM 0 HA LYS A 36 9.169 9.736 4.477 1.00 0.40 H new ATOM 0 HB2 LYS A 36 6.804 11.180 5.731 1.00 0.54 H new ATOM 0 HB3 LYS A 36 7.058 9.446 5.704 1.00 0.54 H new ATOM 0 HG2 LYS A 36 9.100 9.713 7.085 1.00 0.89 H new ATOM 0 HG3 LYS A 36 8.880 11.452 7.091 1.00 0.89 H new ATOM 0 HD2 LYS A 36 6.584 11.063 8.138 1.00 1.58 H new ATOM 0 HD3 LYS A 36 7.015 9.371 8.298 1.00 1.58 H new ATOM 0 HE2 LYS A 36 8.640 11.662 9.471 1.00 1.56 H new ATOM 0 HE3 LYS A 36 7.432 10.760 10.365 1.00 1.56 H new ATOM 0 HZ1 LYS A 36 9.644 9.916 10.784 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 8.712 8.735 9.997 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 9.883 9.609 9.132 1.00 2.03 H new ATOM 630 N ILE A 37 7.352 9.256 2.790 1.00 0.26 N ATOM 631 CA ILE A 37 6.575 9.003 1.591 1.00 0.27 C ATOM 632 C ILE A 37 5.357 8.138 1.921 1.00 0.24 C ATOM 633 O ILE A 37 5.488 7.103 2.577 1.00 0.26 O ATOM 634 CB ILE A 37 7.444 8.300 0.525 1.00 0.37 C ATOM 635 CG1 ILE A 37 8.593 9.220 0.100 1.00 0.42 C ATOM 636 CG2 ILE A 37 6.604 7.893 -0.678 1.00 0.45 C ATOM 637 CD1 ILE A 37 9.577 8.576 -0.852 1.00 0.58 C ATOM 0 H ILE A 37 7.692 8.411 3.248 1.00 0.26 H new ATOM 0 HA ILE A 37 6.234 9.959 1.193 1.00 0.27 H new ATOM 0 HB ILE A 37 7.863 7.393 0.959 1.00 0.37 H new ATOM 0 HG12 ILE A 37 8.177 10.110 -0.371 1.00 0.42 H new ATOM 0 HG13 ILE A 37 9.128 9.551 0.990 1.00 0.42 H new ATOM 0 HG21 ILE A 37 7.238 7.400 -1.415 1.00 0.45 H new ATOM 0 HG22 ILE A 37 5.819 7.208 -0.358 1.00 0.45 H new ATOM 0 HG23 ILE A 37 6.153 8.780 -1.123 1.00 0.45 H new ATOM 0 HD11 ILE A 37 10.360 9.291 -1.105 1.00 0.58 H new ATOM 0 HD12 ILE A 37 10.024 7.702 -0.378 1.00 0.58 H new ATOM 0 HD13 ILE A 37 9.058 8.270 -1.760 1.00 0.58 H new ATOM 649 N PRO A 38 4.155 8.569 1.500 1.00 0.27 N ATOM 650 CA PRO A 38 2.922 7.804 1.707 1.00 0.30 C ATOM 651 C PRO A 38 2.845 6.569 0.808 1.00 0.25 C ATOM 652 O PRO A 38 2.569 6.671 -0.396 1.00 0.26 O ATOM 653 CB PRO A 38 1.802 8.792 1.344 1.00 0.44 C ATOM 654 CG PRO A 38 2.465 10.119 1.177 1.00 0.53 C ATOM 655 CD PRO A 38 3.890 9.837 0.809 1.00 0.36 C ATOM 0 HA PRO A 38 2.856 7.426 2.727 1.00 0.30 H new ATOM 0 HB2 PRO A 38 1.297 8.490 0.427 1.00 0.44 H new ATOM 0 HB3 PRO A 38 1.045 8.829 2.127 1.00 0.44 H new ATOM 0 HG2 PRO A 38 1.972 10.704 0.401 1.00 0.53 H new ATOM 0 HG3 PRO A 38 2.409 10.700 2.098 1.00 0.53 H new ATOM 0 HD2 PRO A 38 4.020 9.746 -0.269 1.00 0.36 H new ATOM 0 HD3 PRO A 38 4.560 10.629 1.144 1.00 0.36 H new ATOM 663 N VAL A 39 3.089 5.406 1.393 1.00 0.23 N ATOM 664 CA VAL A 39 3.010 4.157 0.656 1.00 0.22 C ATOM 665 C VAL A 39 1.769 3.373 1.067 1.00 0.22 C ATOM 666 O VAL A 39 1.421 3.310 2.248 1.00 0.25 O ATOM 667 CB VAL A 39 4.281 3.290 0.852 1.00 0.25 C ATOM 668 CG1 VAL A 39 4.486 2.927 2.315 1.00 1.39 C ATOM 669 CG2 VAL A 39 4.220 2.034 -0.006 1.00 1.28 C ATOM 0 H VAL A 39 3.343 5.303 2.375 1.00 0.23 H new ATOM 0 HA VAL A 39 2.940 4.407 -0.403 1.00 0.22 H new ATOM 0 HB VAL A 39 5.136 3.885 0.531 1.00 0.25 H new ATOM 0 HG11 VAL A 39 5.385 2.319 2.417 1.00 1.39 H new ATOM 0 HG12 VAL A 39 4.595 3.838 2.904 1.00 1.39 H new ATOM 0 HG13 VAL A 39 3.625 2.363 2.674 1.00 1.39 H new ATOM 0 HG21 VAL A 39 5.123 1.443 0.149 1.00 1.28 H new ATOM 0 HG22 VAL A 39 3.347 1.444 0.274 1.00 1.28 H new ATOM 0 HG23 VAL A 39 4.146 2.314 -1.057 1.00 1.28 H new ATOM 679 N VAL A 40 1.085 2.809 0.084 1.00 0.26 N ATOM 680 CA VAL A 40 -0.096 1.998 0.341 1.00 0.28 C ATOM 681 C VAL A 40 0.192 0.540 0.015 1.00 0.28 C ATOM 682 O VAL A 40 0.560 0.209 -1.113 1.00 0.34 O ATOM 683 CB VAL A 40 -1.313 2.480 -0.478 1.00 0.33 C ATOM 684 CG1 VAL A 40 -2.544 1.640 -0.168 1.00 0.38 C ATOM 685 CG2 VAL A 40 -1.590 3.950 -0.208 1.00 0.40 C ATOM 0 H VAL A 40 1.328 2.898 -0.903 1.00 0.26 H new ATOM 0 HA VAL A 40 -0.340 2.100 1.398 1.00 0.28 H new ATOM 0 HB VAL A 40 -1.078 2.360 -1.536 1.00 0.33 H new ATOM 0 HG11 VAL A 40 -3.388 1.999 -0.757 1.00 0.38 H new ATOM 0 HG12 VAL A 40 -2.345 0.598 -0.417 1.00 0.38 H new ATOM 0 HG13 VAL A 40 -2.782 1.721 0.893 1.00 0.38 H new ATOM 0 HG21 VAL A 40 -2.451 4.272 -0.794 1.00 0.40 H new ATOM 0 HG22 VAL A 40 -1.799 4.092 0.852 1.00 0.40 H new ATOM 0 HG23 VAL A 40 -0.719 4.542 -0.488 1.00 0.40 H new ATOM 695 N VAL A 41 0.030 -0.323 1.002 1.00 0.30 N ATOM 696 CA VAL A 41 0.332 -1.734 0.837 1.00 0.32 C ATOM 697 C VAL A 41 -0.953 -2.553 0.764 1.00 0.44 C ATOM 698 O VAL A 41 -1.832 -2.436 1.620 1.00 0.64 O ATOM 699 CB VAL A 41 1.217 -2.256 1.989 1.00 0.47 C ATOM 700 CG1 VAL A 41 1.637 -3.696 1.742 1.00 0.50 C ATOM 701 CG2 VAL A 41 2.439 -1.369 2.163 1.00 1.03 C ATOM 0 H VAL A 41 -0.310 -0.070 1.930 1.00 0.30 H new ATOM 0 HA VAL A 41 0.881 -1.845 -0.098 1.00 0.32 H new ATOM 0 HB VAL A 41 0.631 -2.226 2.907 1.00 0.47 H new ATOM 0 HG11 VAL A 41 2.260 -4.040 2.568 1.00 0.50 H new ATOM 0 HG12 VAL A 41 0.751 -4.326 1.669 1.00 0.50 H new ATOM 0 HG13 VAL A 41 2.202 -3.756 0.812 1.00 0.50 H new ATOM 0 HG21 VAL A 41 3.052 -1.751 2.979 1.00 1.03 H new ATOM 0 HG22 VAL A 41 3.021 -1.367 1.242 1.00 1.03 H new ATOM 0 HG23 VAL A 41 2.121 -0.352 2.393 1.00 1.03 H new ATOM 711 N GLU A 42 -1.058 -3.370 -0.270 1.00 0.44 N ATOM 712 CA GLU A 42 -2.239 -4.189 -0.485 1.00 0.64 C ATOM 713 C GLU A 42 -1.826 -5.642 -0.690 1.00 0.47 C ATOM 714 O GLU A 42 -0.763 -5.917 -1.242 1.00 0.36 O ATOM 715 CB GLU A 42 -3.014 -3.668 -1.698 1.00 0.94 C ATOM 716 CG GLU A 42 -4.382 -4.301 -1.881 1.00 1.44 C ATOM 717 CD GLU A 42 -5.124 -3.720 -3.065 1.00 1.67 C ATOM 718 OE1 GLU A 42 -4.898 -4.190 -4.197 1.00 1.86 O ATOM 719 OE2 GLU A 42 -5.920 -2.777 -2.873 1.00 2.43 O ATOM 0 H GLU A 42 -0.334 -3.484 -0.979 1.00 0.44 H new ATOM 0 HA GLU A 42 -2.887 -4.134 0.390 1.00 0.64 H new ATOM 0 HB2 GLU A 42 -3.135 -2.589 -1.602 1.00 0.94 H new ATOM 0 HB3 GLU A 42 -2.422 -3.843 -2.596 1.00 0.94 H new ATOM 0 HG2 GLU A 42 -4.268 -5.376 -2.017 1.00 1.44 H new ATOM 0 HG3 GLU A 42 -4.972 -4.155 -0.976 1.00 1.44 H new ATOM 726 N ARG A 43 -2.652 -6.568 -0.228 1.00 0.54 N ATOM 727 CA ARG A 43 -2.338 -7.988 -0.331 1.00 0.47 C ATOM 728 C ARG A 43 -2.779 -8.547 -1.679 1.00 0.50 C ATOM 729 O ARG A 43 -3.852 -8.217 -2.181 1.00 0.60 O ATOM 730 CB ARG A 43 -2.974 -8.770 0.820 1.00 0.64 C ATOM 731 CG ARG A 43 -4.466 -8.540 0.981 1.00 1.11 C ATOM 732 CD ARG A 43 -5.001 -9.273 2.197 1.00 1.08 C ATOM 733 NE ARG A 43 -6.433 -9.065 2.378 1.00 1.40 N ATOM 734 CZ ARG A 43 -7.201 -9.821 3.156 1.00 1.48 C ATOM 735 NH1 ARG A 43 -6.667 -10.834 3.833 1.00 1.49 N ATOM 736 NH2 ARG A 43 -8.497 -9.559 3.267 1.00 2.32 N ATOM 0 H ARG A 43 -3.544 -6.364 0.222 1.00 0.54 H new ATOM 0 HA ARG A 43 -1.256 -8.101 -0.259 1.00 0.47 H new ATOM 0 HB2 ARG A 43 -2.797 -9.834 0.663 1.00 0.64 H new ATOM 0 HB3 ARG A 43 -2.474 -8.498 1.749 1.00 0.64 H new ATOM 0 HG2 ARG A 43 -4.665 -7.473 1.079 1.00 1.11 H new ATOM 0 HG3 ARG A 43 -4.989 -8.881 0.087 1.00 1.11 H new ATOM 0 HD2 ARG A 43 -4.800 -10.339 2.094 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -4.471 -8.933 3.087 1.00 1.08 H new ATOM 0 HE ARG A 43 -6.872 -8.292 1.877 1.00 1.40 H new ATOM 0 HH11 ARG A 43 -5.669 -11.030 3.755 1.00 1.49 H new ATOM 0 HH12 ARG A 43 -7.255 -11.415 4.430 1.00 1.49 H new ATOM 0 HH21 ARG A 43 -8.905 -8.777 2.755 1.00 2.32 H new ATOM 0 HH22 ARG A 43 -9.085 -10.140 3.864 1.00 2.32 H new ATOM 750 N TYR A 44 -1.935 -9.391 -2.255 1.00 0.51 N ATOM 751 CA TYR A 44 -2.151 -9.904 -3.600 1.00 0.65 C ATOM 752 C TYR A 44 -3.108 -11.094 -3.591 1.00 0.80 C ATOM 753 O TYR A 44 -2.913 -12.049 -2.836 1.00 0.91 O ATOM 754 CB TYR A 44 -0.807 -10.318 -4.202 1.00 0.80 C ATOM 755 CG TYR A 44 -0.752 -10.249 -5.711 1.00 0.93 C ATOM 756 CD1 TYR A 44 -1.267 -9.156 -6.384 1.00 1.45 C ATOM 757 CD2 TYR A 44 -0.178 -11.266 -6.458 1.00 1.61 C ATOM 758 CE1 TYR A 44 -1.218 -9.071 -7.754 1.00 1.53 C ATOM 759 CE2 TYR A 44 -0.120 -11.193 -7.835 1.00 1.74 C ATOM 760 CZ TYR A 44 -0.641 -10.090 -8.480 1.00 1.23 C ATOM 761 OH TYR A 44 -0.587 -10.008 -9.853 1.00 1.40 O ATOM 0 H TYR A 44 -1.087 -9.738 -1.807 1.00 0.51 H new ATOM 0 HA TYR A 44 -2.602 -9.118 -4.205 1.00 0.65 H new ATOM 0 HB2 TYR A 44 -0.026 -9.677 -3.792 1.00 0.80 H new ATOM 0 HB3 TYR A 44 -0.580 -11.337 -3.888 1.00 0.80 H new ATOM 0 HD1 TYR A 44 -1.717 -8.352 -5.820 1.00 1.45 H new ATOM 0 HD2 TYR A 44 0.230 -12.130 -5.954 1.00 1.61 H new ATOM 0 HE1 TYR A 44 -1.630 -8.210 -8.260 1.00 1.53 H new ATOM 0 HE2 TYR A 44 0.330 -11.993 -8.404 1.00 1.74 H new ATOM 0 HH TYR A 44 -0.148 -10.807 -10.211 1.00 1.40 H new ATOM 771 N PRO A 45 -4.149 -11.052 -4.442 1.00 0.96 N ATOM 772 CA PRO A 45 -5.167 -12.110 -4.523 1.00 1.22 C ATOM 773 C PRO A 45 -4.636 -13.422 -5.105 1.00 1.26 C ATOM 774 O PRO A 45 -5.343 -14.431 -5.116 1.00 1.48 O ATOM 775 CB PRO A 45 -6.235 -11.512 -5.440 1.00 1.41 C ATOM 776 CG PRO A 45 -5.505 -10.514 -6.270 1.00 1.32 C ATOM 777 CD PRO A 45 -4.435 -9.949 -5.381 1.00 1.05 C ATOM 0 HA PRO A 45 -5.532 -12.381 -3.532 1.00 1.22 H new ATOM 0 HB2 PRO A 45 -6.699 -12.279 -6.060 1.00 1.41 H new ATOM 0 HB3 PRO A 45 -7.032 -11.041 -4.865 1.00 1.41 H new ATOM 0 HG2 PRO A 45 -5.072 -10.982 -7.154 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -6.177 -9.730 -6.621 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -3.549 -9.666 -5.949 1.00 1.05 H new ATOM 0 HD3 PRO A 45 -4.777 -9.056 -4.859 1.00 1.05 H new ATOM 785 N ARG A 46 -3.403 -13.405 -5.606 1.00 1.19 N ATOM 786 CA ARG A 46 -2.765 -14.620 -6.107 1.00 1.41 C ATOM 787 C ARG A 46 -2.649 -15.639 -4.981 1.00 1.33 C ATOM 788 O ARG A 46 -2.848 -16.836 -5.184 1.00 1.52 O ATOM 789 CB ARG A 46 -1.383 -14.307 -6.688 1.00 1.62 C ATOM 790 CG ARG A 46 -0.639 -15.511 -7.260 1.00 2.05 C ATOM 791 CD ARG A 46 -1.390 -16.165 -8.415 1.00 2.15 C ATOM 792 NE ARG A 46 -2.575 -16.899 -7.967 1.00 2.69 N ATOM 793 CZ ARG A 46 -3.625 -17.168 -8.739 1.00 3.29 C ATOM 794 NH1 ARG A 46 -3.639 -16.779 -10.008 1.00 3.38 N ATOM 795 NH2 ARG A 46 -4.658 -17.837 -8.242 1.00 4.16 N ATOM 0 H ARG A 46 -2.827 -12.566 -5.676 1.00 1.19 H new ATOM 0 HA ARG A 46 -3.380 -15.037 -6.905 1.00 1.41 H new ATOM 0 HB2 ARG A 46 -1.496 -13.561 -7.474 1.00 1.62 H new ATOM 0 HB3 ARG A 46 -0.770 -13.857 -5.907 1.00 1.62 H new ATOM 0 HG2 ARG A 46 0.346 -15.196 -7.603 1.00 2.05 H new ATOM 0 HG3 ARG A 46 -0.482 -16.246 -6.470 1.00 2.05 H new ATOM 0 HD2 ARG A 46 -1.690 -15.399 -9.130 1.00 2.15 H new ATOM 0 HD3 ARG A 46 -0.721 -16.847 -8.940 1.00 2.15 H new ATOM 0 HE ARG A 46 -2.597 -17.225 -7.001 1.00 2.69 H new ATOM 0 HH11 ARG A 46 -2.843 -16.272 -10.395 1.00 3.38 H new ATOM 0 HH12 ARG A 46 -4.446 -16.987 -10.596 1.00 3.38 H new ATOM 0 HH21 ARG A 46 -4.646 -18.144 -7.269 1.00 4.16 H new ATOM 0 HH22 ARG A 46 -5.463 -18.044 -8.833 1.00 4.16 H new ATOM 809 N GLU A 47 -2.329 -15.147 -3.796 1.00 1.17 N ATOM 810 CA GLU A 47 -2.353 -15.967 -2.601 1.00 1.13 C ATOM 811 C GLU A 47 -3.752 -15.920 -2.008 1.00 1.30 C ATOM 812 O GLU A 47 -4.481 -14.943 -2.199 1.00 1.48 O ATOM 813 CB GLU A 47 -1.311 -15.465 -1.591 1.00 1.09 C ATOM 814 CG GLU A 47 -1.301 -16.217 -0.264 1.00 1.43 C ATOM 815 CD GLU A 47 -1.229 -17.725 -0.428 1.00 1.91 C ATOM 816 OE1 GLU A 47 -0.196 -18.232 -0.911 1.00 2.22 O ATOM 817 OE2 GLU A 47 -2.204 -18.409 -0.058 1.00 2.56 O ATOM 0 H GLU A 47 -2.049 -14.179 -3.638 1.00 1.17 H new ATOM 0 HA GLU A 47 -2.102 -16.998 -2.850 1.00 1.13 H new ATOM 0 HB2 GLU A 47 -0.322 -15.538 -2.043 1.00 1.09 H new ATOM 0 HB3 GLU A 47 -1.494 -14.409 -1.394 1.00 1.09 H new ATOM 0 HG2 GLU A 47 -0.450 -15.882 0.329 1.00 1.43 H new ATOM 0 HG3 GLU A 47 -2.200 -15.962 0.297 1.00 1.43 H new ATOM 824 N THR A 48 -4.134 -16.974 -1.309 1.00 1.56 N ATOM 825 CA THR A 48 -5.436 -17.034 -0.678 1.00 1.94 C ATOM 826 C THR A 48 -5.453 -16.138 0.563 1.00 1.56 C ATOM 827 O THR A 48 -5.462 -16.616 1.700 1.00 1.92 O ATOM 828 CB THR A 48 -5.804 -18.482 -0.307 1.00 2.64 C ATOM 829 OG1 THR A 48 -5.544 -19.345 -1.424 1.00 2.79 O ATOM 830 CG2 THR A 48 -7.275 -18.592 0.076 1.00 3.54 C ATOM 0 H THR A 48 -3.557 -17.802 -1.165 1.00 1.56 H new ATOM 0 HA THR A 48 -6.182 -16.673 -1.386 1.00 1.94 H new ATOM 0 HB THR A 48 -5.197 -18.780 0.548 1.00 2.64 H new ATOM 0 HG1 THR A 48 -5.777 -20.267 -1.186 1.00 2.79 H new ATOM 0 HG21 THR A 48 -7.508 -19.625 0.333 1.00 3.54 H new ATOM 0 HG22 THR A 48 -7.477 -17.950 0.934 1.00 3.54 H new ATOM 0 HG23 THR A 48 -7.894 -18.279 -0.765 1.00 3.54 H new ATOM 838 N PHE A 49 -5.402 -14.833 0.307 1.00 1.27 N ATOM 839 CA PHE A 49 -5.492 -13.801 1.332 1.00 1.57 C ATOM 840 C PHE A 49 -4.371 -13.902 2.359 1.00 1.23 C ATOM 841 O PHE A 49 -4.543 -14.496 3.424 1.00 1.42 O ATOM 842 CB PHE A 49 -6.857 -13.849 2.024 1.00 2.24 C ATOM 843 CG PHE A 49 -8.001 -13.683 1.069 1.00 3.04 C ATOM 844 CD1 PHE A 49 -8.257 -12.454 0.484 1.00 3.80 C ATOM 845 CD2 PHE A 49 -8.812 -14.757 0.747 1.00 3.65 C ATOM 846 CE1 PHE A 49 -9.302 -12.301 -0.404 1.00 4.81 C ATOM 847 CE2 PHE A 49 -9.858 -14.609 -0.141 1.00 4.73 C ATOM 848 CZ PHE A 49 -10.104 -13.379 -0.716 1.00 5.19 C ATOM 0 H PHE A 49 -5.295 -14.458 -0.636 1.00 1.27 H new ATOM 0 HA PHE A 49 -5.380 -12.841 0.828 1.00 1.57 H new ATOM 0 HB2 PHE A 49 -6.961 -14.800 2.546 1.00 2.24 H new ATOM 0 HB3 PHE A 49 -6.904 -13.064 2.779 1.00 2.24 H new ATOM 0 HD1 PHE A 49 -7.632 -11.607 0.725 1.00 3.80 H new ATOM 0 HD2 PHE A 49 -8.624 -15.721 1.195 1.00 3.65 H new ATOM 0 HE1 PHE A 49 -9.492 -11.338 -0.854 1.00 4.81 H new ATOM 0 HE2 PHE A 49 -10.483 -15.455 -0.386 1.00 4.73 H new ATOM 0 HZ PHE A 49 -10.923 -13.260 -1.409 1.00 5.19 H new ATOM 858 N LEU A 50 -3.218 -13.322 2.028 1.00 0.94 N ATOM 859 CA LEU A 50 -2.150 -13.147 3.008 1.00 0.81 C ATOM 860 C LEU A 50 -2.676 -12.322 4.180 1.00 0.81 C ATOM 861 O LEU A 50 -3.558 -11.474 3.999 1.00 0.88 O ATOM 862 CB LEU A 50 -0.928 -12.444 2.389 1.00 0.83 C ATOM 863 CG LEU A 50 0.090 -13.343 1.665 1.00 1.05 C ATOM 864 CD1 LEU A 50 1.281 -12.517 1.202 1.00 1.34 C ATOM 865 CD2 LEU A 50 0.561 -14.473 2.568 1.00 1.51 C ATOM 0 H LEU A 50 -3.002 -12.968 1.096 1.00 0.94 H new ATOM 0 HA LEU A 50 -1.833 -14.132 3.351 1.00 0.81 H new ATOM 0 HB2 LEU A 50 -1.287 -11.697 1.681 1.00 0.83 H new ATOM 0 HB3 LEU A 50 -0.406 -11.907 3.181 1.00 0.83 H new ATOM 0 HG LEU A 50 -0.402 -13.782 0.797 1.00 1.05 H new ATOM 0 HD11 LEU A 50 1.995 -13.163 0.691 1.00 1.34 H new ATOM 0 HD12 LEU A 50 0.941 -11.740 0.518 1.00 1.34 H new ATOM 0 HD13 LEU A 50 1.762 -12.056 2.065 1.00 1.34 H new ATOM 0 HD21 LEU A 50 1.279 -15.092 2.031 1.00 1.51 H new ATOM 0 HD22 LEU A 50 1.035 -14.055 3.457 1.00 1.51 H new ATOM 0 HD23 LEU A 50 -0.293 -15.082 2.864 1.00 1.51 H new ATOM 877 N PRO A 51 -2.170 -12.586 5.394 1.00 0.98 N ATOM 878 CA PRO A 51 -2.579 -11.868 6.604 1.00 1.19 C ATOM 879 C PRO A 51 -2.469 -10.354 6.446 1.00 1.06 C ATOM 880 O PRO A 51 -1.420 -9.832 6.065 1.00 1.05 O ATOM 881 CB PRO A 51 -1.601 -12.364 7.679 1.00 1.58 C ATOM 882 CG PRO A 51 -0.526 -13.092 6.946 1.00 1.69 C ATOM 883 CD PRO A 51 -1.163 -13.611 5.694 1.00 1.21 C ATOM 0 HA PRO A 51 -3.625 -12.057 6.847 1.00 1.19 H new ATOM 0 HB2 PRO A 51 -1.190 -11.530 8.248 1.00 1.58 H new ATOM 0 HB3 PRO A 51 -2.102 -13.020 8.391 1.00 1.58 H new ATOM 0 HG2 PRO A 51 0.307 -12.429 6.714 1.00 1.69 H new ATOM 0 HG3 PRO A 51 -0.126 -13.908 7.548 1.00 1.69 H new ATOM 0 HD2 PRO A 51 -0.440 -13.716 4.886 1.00 1.21 H new ATOM 0 HD3 PRO A 51 -1.616 -14.591 5.846 1.00 1.21 H new ATOM 891 N PRO A 52 -3.575 -9.638 6.712 1.00 1.03 N ATOM 892 CA PRO A 52 -3.604 -8.174 6.660 1.00 0.93 C ATOM 893 C PRO A 52 -2.616 -7.552 7.639 1.00 0.87 C ATOM 894 O PRO A 52 -2.157 -8.203 8.580 1.00 1.08 O ATOM 895 CB PRO A 52 -5.041 -7.823 7.060 1.00 1.03 C ATOM 896 CG PRO A 52 -5.827 -9.061 6.808 1.00 1.15 C ATOM 897 CD PRO A 52 -4.887 -10.201 7.073 1.00 1.17 C ATOM 0 HA PRO A 52 -3.322 -7.795 5.678 1.00 0.93 H new ATOM 0 HB2 PRO A 52 -5.097 -7.527 8.107 1.00 1.03 H new ATOM 0 HB3 PRO A 52 -5.421 -6.988 6.472 1.00 1.03 H new ATOM 0 HG2 PRO A 52 -6.698 -9.112 7.462 1.00 1.15 H new ATOM 0 HG3 PRO A 52 -6.196 -9.088 5.783 1.00 1.15 H new ATOM 0 HD2 PRO A 52 -4.918 -10.516 8.116 1.00 1.17 H new ATOM 0 HD3 PRO A 52 -5.132 -11.075 6.469 1.00 1.17 H new ATOM 905 N LEU A 53 -2.293 -6.291 7.416 1.00 0.75 N ATOM 906 CA LEU A 53 -1.306 -5.610 8.234 1.00 0.74 C ATOM 907 C LEU A 53 -1.968 -4.633 9.191 1.00 0.76 C ATOM 908 O LEU A 53 -3.180 -4.413 9.116 1.00 0.80 O ATOM 909 CB LEU A 53 -0.311 -4.864 7.349 1.00 0.76 C ATOM 910 CG LEU A 53 0.288 -5.691 6.217 1.00 0.79 C ATOM 911 CD1 LEU A 53 1.205 -4.827 5.369 1.00 0.77 C ATOM 912 CD2 LEU A 53 1.034 -6.896 6.773 1.00 1.22 C ATOM 0 H LEU A 53 -2.699 -5.718 6.676 1.00 0.75 H new ATOM 0 HA LEU A 53 -0.778 -6.364 8.818 1.00 0.74 H new ATOM 0 HB2 LEU A 53 -0.810 -3.995 6.920 1.00 0.76 H new ATOM 0 HB3 LEU A 53 0.500 -4.490 7.974 1.00 0.76 H new ATOM 0 HG LEU A 53 -0.519 -6.059 5.584 1.00 0.79 H new ATOM 0 HD11 LEU A 53 1.628 -5.427 4.563 1.00 0.77 H new ATOM 0 HD12 LEU A 53 0.636 -4.000 4.945 1.00 0.77 H new ATOM 0 HD13 LEU A 53 2.010 -4.433 5.989 1.00 0.77 H new ATOM 0 HD21 LEU A 53 1.455 -7.475 5.951 1.00 1.22 H new ATOM 0 HD22 LEU A 53 1.838 -6.557 7.426 1.00 1.22 H new ATOM 0 HD23 LEU A 53 0.344 -7.521 7.341 1.00 1.22 H new ATOM 924 N ASP A 54 -1.178 -4.057 10.086 1.00 0.77 N ATOM 925 CA ASP A 54 -1.677 -3.059 11.029 1.00 0.82 C ATOM 926 C ASP A 54 -2.360 -1.908 10.296 1.00 0.69 C ATOM 927 O ASP A 54 -3.432 -1.449 10.693 1.00 0.75 O ATOM 928 CB ASP A 54 -0.537 -2.515 11.889 1.00 1.00 C ATOM 929 CG ASP A 54 -0.989 -1.397 12.808 1.00 1.25 C ATOM 930 OD1 ASP A 54 -1.684 -1.685 13.804 1.00 1.53 O ATOM 931 OD2 ASP A 54 -0.663 -0.225 12.528 1.00 2.12 O ATOM 0 H ASP A 54 -0.184 -4.263 10.181 1.00 0.77 H new ATOM 0 HA ASP A 54 -2.409 -3.547 11.673 1.00 0.82 H new ATOM 0 HB2 ASP A 54 -0.117 -3.325 12.486 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.260 -2.150 11.242 1.00 1.00 H new ATOM 936 N LYS A 55 -1.741 -1.465 9.213 1.00 0.64 N ATOM 937 CA LYS A 55 -2.259 -0.353 8.432 1.00 0.62 C ATOM 938 C LYS A 55 -2.243 -0.690 6.954 1.00 0.55 C ATOM 939 O LYS A 55 -1.571 -1.630 6.528 1.00 0.61 O ATOM 940 CB LYS A 55 -1.426 0.905 8.676 1.00 0.81 C ATOM 941 CG LYS A 55 -1.659 1.554 10.030 1.00 1.10 C ATOM 942 CD LYS A 55 -0.778 2.776 10.215 1.00 1.49 C ATOM 943 CE LYS A 55 0.671 2.389 10.461 1.00 1.98 C ATOM 944 NZ LYS A 55 0.867 1.814 11.820 1.00 2.59 N ATOM 0 H LYS A 55 -0.873 -1.862 8.853 1.00 0.64 H new ATOM 0 HA LYS A 55 -3.286 -0.168 8.746 1.00 0.62 H new ATOM 0 HB2 LYS A 55 -0.370 0.651 8.584 1.00 0.81 H new ATOM 0 HB3 LYS A 55 -1.648 1.632 7.894 1.00 0.81 H new ATOM 0 HG2 LYS A 55 -2.706 1.841 10.123 1.00 1.10 H new ATOM 0 HG3 LYS A 55 -1.455 0.833 10.821 1.00 1.10 H new ATOM 0 HD2 LYS A 55 -0.841 3.408 9.329 1.00 1.49 H new ATOM 0 HD3 LYS A 55 -1.145 3.366 11.055 1.00 1.49 H new ATOM 0 HE2 LYS A 55 0.986 1.664 9.711 1.00 1.98 H new ATOM 0 HE3 LYS A 55 1.307 3.267 10.343 1.00 1.98 H new ATOM 0 HZ1 LYS A 55 1.861 1.531 11.937 1.00 2.59 H new ATOM 0 HZ2 LYS A 55 0.623 2.527 12.537 1.00 2.59 H new ATOM 0 HZ3 LYS A 55 0.254 0.982 11.936 1.00 2.59 H new ATOM 958 N THR A 56 -3.011 0.064 6.187 1.00 0.50 N ATOM 959 CA THR A 56 -3.007 -0.062 4.743 1.00 0.48 C ATOM 960 C THR A 56 -1.996 0.911 4.153 1.00 0.43 C ATOM 961 O THR A 56 -1.441 0.683 3.082 1.00 0.45 O ATOM 962 CB THR A 56 -4.403 0.224 4.160 1.00 0.55 C ATOM 963 OG1 THR A 56 -5.397 -0.479 4.919 1.00 1.14 O ATOM 964 CG2 THR A 56 -4.484 -0.198 2.702 1.00 0.96 C ATOM 0 H THR A 56 -3.649 0.775 6.545 1.00 0.50 H new ATOM 0 HA THR A 56 -2.732 -1.085 4.485 1.00 0.48 H new ATOM 0 HB THR A 56 -4.584 1.297 4.218 1.00 0.55 H new ATOM 0 HG1 THR A 56 -6.284 -0.294 4.547 1.00 1.14 H new ATOM 0 HG21 THR A 56 -5.481 0.016 2.316 1.00 0.96 H new ATOM 0 HG22 THR A 56 -3.744 0.354 2.122 1.00 0.96 H new ATOM 0 HG23 THR A 56 -4.285 -1.267 2.621 1.00 0.96 H new ATOM 972 N LYS A 57 -1.762 2.000 4.870 1.00 0.46 N ATOM 973 CA LYS A 57 -0.762 2.972 4.474 1.00 0.48 C ATOM 974 C LYS A 57 0.328 3.053 5.528 1.00 0.52 C ATOM 975 O LYS A 57 0.063 2.900 6.721 1.00 0.69 O ATOM 976 CB LYS A 57 -1.379 4.359 4.274 1.00 0.59 C ATOM 977 CG LYS A 57 -2.003 4.932 5.536 1.00 0.90 C ATOM 978 CD LYS A 57 -2.027 6.452 5.512 1.00 1.09 C ATOM 979 CE LYS A 57 -2.820 6.992 4.335 1.00 1.54 C ATOM 980 NZ LYS A 57 -4.257 6.625 4.412 1.00 2.14 N ATOM 0 H LYS A 57 -2.255 2.231 5.733 1.00 0.46 H new ATOM 0 HA LYS A 57 -0.337 2.645 3.525 1.00 0.48 H new ATOM 0 HB2 LYS A 57 -0.609 5.042 3.916 1.00 0.59 H new ATOM 0 HB3 LYS A 57 -2.140 4.301 3.496 1.00 0.59 H new ATOM 0 HG2 LYS A 57 -3.020 4.554 5.643 1.00 0.90 H new ATOM 0 HG3 LYS A 57 -1.442 4.591 6.406 1.00 0.90 H new ATOM 0 HD2 LYS A 57 -2.461 6.822 6.441 1.00 1.09 H new ATOM 0 HD3 LYS A 57 -1.006 6.830 5.464 1.00 1.09 H new ATOM 0 HE2 LYS A 57 -2.725 8.077 4.302 1.00 1.54 H new ATOM 0 HE3 LYS A 57 -2.397 6.607 3.407 1.00 1.54 H new ATOM 0 HZ1 LYS A 57 -4.772 7.071 3.626 1.00 2.14 H new ATOM 0 HZ2 LYS A 57 -4.355 5.592 4.349 1.00 2.14 H new ATOM 0 HZ3 LYS A 57 -4.652 6.956 5.316 1.00 2.14 H new ATOM 994 N PHE A 58 1.547 3.281 5.089 1.00 0.43 N ATOM 995 CA PHE A 58 2.661 3.448 6.000 1.00 0.50 C ATOM 996 C PHE A 58 3.448 4.692 5.632 1.00 0.38 C ATOM 997 O PHE A 58 3.584 5.027 4.454 1.00 0.33 O ATOM 998 CB PHE A 58 3.575 2.217 5.976 1.00 0.69 C ATOM 999 CG PHE A 58 2.903 0.957 6.444 1.00 0.48 C ATOM 1000 CD1 PHE A 58 2.762 0.692 7.796 1.00 1.42 C ATOM 1001 CD2 PHE A 58 2.408 0.039 5.531 1.00 1.16 C ATOM 1002 CE1 PHE A 58 2.142 -0.463 8.229 1.00 1.64 C ATOM 1003 CE2 PHE A 58 1.787 -1.118 5.960 1.00 1.29 C ATOM 1004 CZ PHE A 58 1.654 -1.370 7.310 1.00 1.11 C ATOM 0 H PHE A 58 1.793 3.355 4.102 1.00 0.43 H new ATOM 0 HA PHE A 58 2.267 3.560 7.010 1.00 0.50 H new ATOM 0 HB2 PHE A 58 3.942 2.067 4.960 1.00 0.69 H new ATOM 0 HB3 PHE A 58 4.445 2.409 6.604 1.00 0.69 H new ATOM 0 HD1 PHE A 58 3.142 1.397 8.520 1.00 1.42 H new ATOM 0 HD2 PHE A 58 2.509 0.230 4.473 1.00 1.16 H new ATOM 0 HE1 PHE A 58 2.039 -0.657 9.286 1.00 1.64 H new ATOM 0 HE2 PHE A 58 1.406 -1.825 5.239 1.00 1.29 H new ATOM 0 HZ PHE A 58 1.169 -2.274 7.647 1.00 1.11 H new ATOM 1014 N LEU A 59 3.932 5.396 6.638 1.00 0.46 N ATOM 1015 CA LEU A 59 4.766 6.559 6.406 1.00 0.43 C ATOM 1016 C LEU A 59 6.225 6.147 6.494 1.00 0.40 C ATOM 1017 O LEU A 59 6.754 5.923 7.584 1.00 0.54 O ATOM 1018 CB LEU A 59 4.460 7.677 7.411 1.00 0.59 C ATOM 1019 CG LEU A 59 3.103 8.376 7.241 1.00 1.38 C ATOM 1020 CD1 LEU A 59 1.953 7.471 7.662 1.00 2.22 C ATOM 1021 CD2 LEU A 59 3.075 9.669 8.036 1.00 1.64 C ATOM 0 H LEU A 59 3.762 5.183 7.621 1.00 0.46 H new ATOM 0 HA LEU A 59 4.554 6.952 5.412 1.00 0.43 H new ATOM 0 HB2 LEU A 59 4.509 7.259 8.417 1.00 0.59 H new ATOM 0 HB3 LEU A 59 5.246 8.429 7.340 1.00 0.59 H new ATOM 0 HG LEU A 59 2.975 8.606 6.183 1.00 1.38 H new ATOM 0 HD11 LEU A 59 1.008 7.998 7.529 1.00 2.22 H new ATOM 0 HD12 LEU A 59 1.956 6.570 7.049 1.00 2.22 H new ATOM 0 HD13 LEU A 59 2.071 7.197 8.710 1.00 2.22 H new ATOM 0 HD21 LEU A 59 2.108 10.155 7.907 1.00 1.64 H new ATOM 0 HD22 LEU A 59 3.233 9.450 9.092 1.00 1.64 H new ATOM 0 HD23 LEU A 59 3.864 10.332 7.681 1.00 1.64 H new ATOM 1033 N VAL A 60 6.861 6.030 5.346 1.00 0.33 N ATOM 1034 CA VAL A 60 8.229 5.544 5.276 1.00 0.41 C ATOM 1035 C VAL A 60 9.168 6.637 4.786 1.00 0.36 C ATOM 1036 O VAL A 60 8.811 7.425 3.919 1.00 0.34 O ATOM 1037 CB VAL A 60 8.331 4.313 4.349 1.00 0.50 C ATOM 1038 CG1 VAL A 60 7.560 3.144 4.940 1.00 0.59 C ATOM 1039 CG2 VAL A 60 7.817 4.636 2.953 1.00 0.47 C ATOM 0 H VAL A 60 6.451 6.266 4.442 1.00 0.33 H new ATOM 0 HA VAL A 60 8.526 5.250 6.283 1.00 0.41 H new ATOM 0 HB VAL A 60 9.382 4.036 4.266 1.00 0.50 H new ATOM 0 HG11 VAL A 60 7.640 2.283 4.277 1.00 0.59 H new ATOM 0 HG12 VAL A 60 7.975 2.890 5.916 1.00 0.59 H new ATOM 0 HG13 VAL A 60 6.511 3.419 5.052 1.00 0.59 H new ATOM 0 HG21 VAL A 60 7.900 3.752 2.321 1.00 0.47 H new ATOM 0 HG22 VAL A 60 6.773 4.943 3.012 1.00 0.47 H new ATOM 0 HG23 VAL A 60 8.409 5.445 2.525 1.00 0.47 H new ATOM 1049 N PRO A 61 10.379 6.713 5.350 1.00 0.41 N ATOM 1050 CA PRO A 61 11.355 7.731 4.969 1.00 0.41 C ATOM 1051 C PRO A 61 11.967 7.446 3.602 1.00 0.37 C ATOM 1052 O PRO A 61 12.040 6.299 3.165 1.00 0.36 O ATOM 1053 CB PRO A 61 12.416 7.633 6.063 1.00 0.52 C ATOM 1054 CG PRO A 61 12.329 6.233 6.565 1.00 0.71 C ATOM 1055 CD PRO A 61 10.896 5.808 6.394 1.00 0.51 C ATOM 0 HA PRO A 61 10.908 8.721 4.885 1.00 0.41 H new ATOM 0 HB2 PRO A 61 13.409 7.849 5.669 1.00 0.52 H new ATOM 0 HB3 PRO A 61 12.226 8.350 6.861 1.00 0.52 H new ATOM 0 HG2 PRO A 61 12.998 5.578 6.006 1.00 0.71 H new ATOM 0 HG3 PRO A 61 12.628 6.176 7.612 1.00 0.71 H new ATOM 0 HD2 PRO A 61 10.823 4.764 6.090 1.00 0.51 H new ATOM 0 HD3 PRO A 61 10.336 5.909 7.324 1.00 0.51 H new ATOM 1063 N GLN A 62 12.415 8.506 2.935 1.00 0.42 N ATOM 1064 CA GLN A 62 13.028 8.391 1.613 1.00 0.45 C ATOM 1065 C GLN A 62 14.358 7.646 1.706 1.00 0.43 C ATOM 1066 O GLN A 62 14.930 7.237 0.695 1.00 0.51 O ATOM 1067 CB GLN A 62 13.258 9.778 1.013 1.00 0.61 C ATOM 1068 CG GLN A 62 12.054 10.700 1.117 1.00 0.85 C ATOM 1069 CD GLN A 62 12.241 11.997 0.356 1.00 0.78 C ATOM 1070 OE1 GLN A 62 11.844 12.114 -0.802 1.00 1.34 O ATOM 1071 NE2 GLN A 62 12.868 12.971 0.992 1.00 1.15 N ATOM 0 H GLN A 62 12.365 9.461 3.290 1.00 0.42 H new ATOM 0 HA GLN A 62 12.351 7.830 0.969 1.00 0.45 H new ATOM 0 HB2 GLN A 62 14.105 10.245 1.515 1.00 0.61 H new ATOM 0 HB3 GLN A 62 13.530 9.669 -0.037 1.00 0.61 H new ATOM 0 HG2 GLN A 62 11.173 10.184 0.736 1.00 0.85 H new ATOM 0 HG3 GLN A 62 11.863 10.924 2.167 1.00 0.85 H new ATOM 0 HE21 GLN A 62 13.182 12.834 1.953 1.00 1.15 H new ATOM 0 HE22 GLN A 62 13.038 13.860 0.522 1.00 1.15 H new ATOM 1080 N GLU A 63 14.838 7.493 2.931 1.00 0.46 N ATOM 1081 CA GLU A 63 16.086 6.797 3.211 1.00 0.59 C ATOM 1082 C GLU A 63 15.866 5.283 3.214 1.00 0.51 C ATOM 1083 O GLU A 63 16.811 4.505 3.071 1.00 0.62 O ATOM 1084 CB GLU A 63 16.616 7.261 4.573 1.00 0.81 C ATOM 1085 CG GLU A 63 17.981 6.709 4.944 1.00 1.56 C ATOM 1086 CD GLU A 63 19.061 7.106 3.964 1.00 2.26 C ATOM 1087 OE1 GLU A 63 19.169 8.309 3.644 1.00 2.73 O ATOM 1088 OE2 GLU A 63 19.810 6.218 3.509 1.00 3.07 O ATOM 0 H GLU A 63 14.370 7.850 3.764 1.00 0.46 H new ATOM 0 HA GLU A 63 16.815 7.030 2.435 1.00 0.59 H new ATOM 0 HB2 GLU A 63 16.666 8.350 4.576 1.00 0.81 H new ATOM 0 HB3 GLU A 63 15.901 6.973 5.343 1.00 0.81 H new ATOM 0 HG2 GLU A 63 18.252 7.062 5.939 1.00 1.56 H new ATOM 0 HG3 GLU A 63 17.926 5.622 4.996 1.00 1.56 H new ATOM 1095 N LEU A 64 14.609 4.879 3.356 1.00 0.39 N ATOM 1096 CA LEU A 64 14.260 3.481 3.483 1.00 0.39 C ATOM 1097 C LEU A 64 14.409 2.770 2.147 1.00 0.45 C ATOM 1098 O LEU A 64 14.203 3.364 1.084 1.00 0.54 O ATOM 1099 CB LEU A 64 12.819 3.347 3.983 1.00 0.36 C ATOM 1100 CG LEU A 64 12.425 1.959 4.488 1.00 0.49 C ATOM 1101 CD1 LEU A 64 13.100 1.664 5.817 1.00 1.14 C ATOM 1102 CD2 LEU A 64 10.918 1.851 4.622 1.00 1.44 C ATOM 0 H LEU A 64 13.811 5.513 3.386 1.00 0.39 H new ATOM 0 HA LEU A 64 14.936 3.019 4.202 1.00 0.39 H new ATOM 0 HB2 LEU A 64 12.664 4.065 4.788 1.00 0.36 H new ATOM 0 HB3 LEU A 64 12.144 3.625 3.173 1.00 0.36 H new ATOM 0 HG LEU A 64 12.760 1.220 3.760 1.00 0.49 H new ATOM 0 HD11 LEU A 64 12.808 0.672 6.161 1.00 1.14 H new ATOM 0 HD12 LEU A 64 14.182 1.701 5.691 1.00 1.14 H new ATOM 0 HD13 LEU A 64 12.795 2.408 6.553 1.00 1.14 H new ATOM 0 HD21 LEU A 64 10.655 0.857 4.983 1.00 1.44 H new ATOM 0 HD22 LEU A 64 10.561 2.600 5.329 1.00 1.44 H new ATOM 0 HD23 LEU A 64 10.453 2.019 3.650 1.00 1.44 H new ATOM 1114 N THR A 65 14.783 1.510 2.215 1.00 0.49 N ATOM 1115 CA THR A 65 14.908 0.680 1.030 1.00 0.54 C ATOM 1116 C THR A 65 13.772 -0.332 0.963 1.00 0.53 C ATOM 1117 O THR A 65 13.092 -0.572 1.967 1.00 0.51 O ATOM 1118 CB THR A 65 16.250 -0.079 1.008 1.00 0.60 C ATOM 1119 OG1 THR A 65 16.371 -0.900 2.180 1.00 0.56 O ATOM 1120 CG2 THR A 65 17.421 0.892 0.937 1.00 0.68 C ATOM 0 H THR A 65 15.009 1.032 3.087 1.00 0.49 H new ATOM 0 HA THR A 65 14.864 1.346 0.168 1.00 0.54 H new ATOM 0 HB THR A 65 16.269 -0.711 0.120 1.00 0.60 H new ATOM 0 HG1 THR A 65 17.225 -1.380 2.157 1.00 0.56 H new ATOM 0 HG21 THR A 65 18.357 0.333 0.923 1.00 0.68 H new ATOM 0 HG22 THR A 65 17.342 1.491 0.030 1.00 0.68 H new ATOM 0 HG23 THR A 65 17.403 1.548 1.808 1.00 0.68 H new ATOM 1128 N MET A 66 13.570 -0.927 -0.207 1.00 0.55 N ATOM 1129 CA MET A 66 12.536 -1.947 -0.376 1.00 0.56 C ATOM 1130 C MET A 66 12.731 -3.085 0.624 1.00 0.52 C ATOM 1131 O MET A 66 11.779 -3.537 1.263 1.00 0.47 O ATOM 1132 CB MET A 66 12.556 -2.498 -1.802 1.00 0.62 C ATOM 1133 CG MET A 66 12.165 -1.480 -2.861 1.00 0.88 C ATOM 1134 SD MET A 66 10.473 -0.890 -2.672 1.00 1.39 S ATOM 1135 CE MET A 66 9.559 -2.426 -2.791 1.00 1.05 C ATOM 0 H MET A 66 14.105 -0.723 -1.051 1.00 0.55 H new ATOM 0 HA MET A 66 11.568 -1.481 -0.191 1.00 0.56 H new ATOM 0 HB2 MET A 66 13.556 -2.872 -2.023 1.00 0.62 H new ATOM 0 HB3 MET A 66 11.877 -3.349 -1.862 1.00 0.62 H new ATOM 0 HG2 MET A 66 12.848 -0.632 -2.813 1.00 0.88 H new ATOM 0 HG3 MET A 66 12.281 -1.927 -3.848 1.00 0.88 H new ATOM 0 HE1 MET A 66 8.491 -2.212 -2.835 1.00 1.05 H new ATOM 0 HE2 MET A 66 9.859 -2.959 -3.693 1.00 1.05 H new ATOM 0 HE3 MET A 66 9.769 -3.043 -1.918 1.00 1.05 H new ATOM 1145 N THR A 67 13.979 -3.517 0.773 1.00 0.56 N ATOM 1146 CA THR A 67 14.327 -4.590 1.694 1.00 0.58 C ATOM 1147 C THR A 67 13.915 -4.261 3.125 1.00 0.47 C ATOM 1148 O THR A 67 13.264 -5.066 3.793 1.00 0.45 O ATOM 1149 CB THR A 67 15.837 -4.873 1.651 1.00 0.70 C ATOM 1150 OG1 THR A 67 16.200 -5.368 0.360 1.00 1.33 O ATOM 1151 CG2 THR A 67 16.244 -5.875 2.722 1.00 1.19 C ATOM 0 H THR A 67 14.774 -3.134 0.261 1.00 0.56 H new ATOM 0 HA THR A 67 13.781 -5.477 1.373 1.00 0.58 H new ATOM 0 HB THR A 67 16.362 -3.938 1.846 1.00 0.70 H new ATOM 0 HG1 THR A 67 17.058 -5.837 0.419 1.00 1.33 H new ATOM 0 HG21 THR A 67 17.318 -6.053 2.664 1.00 1.19 H new ATOM 0 HG22 THR A 67 15.994 -5.478 3.706 1.00 1.19 H new ATOM 0 HG23 THR A 67 15.712 -6.813 2.564 1.00 1.19 H new ATOM 1159 N GLN A 68 14.282 -3.073 3.590 1.00 0.47 N ATOM 1160 CA GLN A 68 13.986 -2.680 4.958 1.00 0.43 C ATOM 1161 C GLN A 68 12.482 -2.587 5.194 1.00 0.35 C ATOM 1162 O GLN A 68 11.997 -2.925 6.273 1.00 0.34 O ATOM 1163 CB GLN A 68 14.653 -1.350 5.291 1.00 0.50 C ATOM 1164 CG GLN A 68 16.168 -1.426 5.358 1.00 0.56 C ATOM 1165 CD GLN A 68 16.788 -0.103 5.764 1.00 1.33 C ATOM 1166 OE1 GLN A 68 16.185 0.676 6.501 1.00 2.03 O ATOM 1167 NE2 GLN A 68 17.994 0.154 5.299 1.00 1.98 N ATOM 0 H GLN A 68 14.781 -2.371 3.043 1.00 0.47 H new ATOM 0 HA GLN A 68 14.387 -3.450 5.617 1.00 0.43 H new ATOM 0 HB2 GLN A 68 14.368 -0.613 4.540 1.00 0.50 H new ATOM 0 HB3 GLN A 68 14.273 -0.993 6.248 1.00 0.50 H new ATOM 0 HG2 GLN A 68 16.461 -2.197 6.071 1.00 0.56 H new ATOM 0 HG3 GLN A 68 16.559 -1.726 4.386 1.00 0.56 H new ATOM 0 HE21 GLN A 68 18.460 -0.519 4.690 1.00 1.98 H new ATOM 0 HE22 GLN A 68 18.462 1.026 5.548 1.00 1.98 H new ATOM 1176 N PHE A 69 11.748 -2.139 4.183 1.00 0.35 N ATOM 1177 CA PHE A 69 10.302 -2.003 4.300 1.00 0.34 C ATOM 1178 C PHE A 69 9.647 -3.373 4.349 1.00 0.36 C ATOM 1179 O PHE A 69 8.662 -3.576 5.055 1.00 0.36 O ATOM 1180 CB PHE A 69 9.736 -1.190 3.141 1.00 0.42 C ATOM 1181 CG PHE A 69 8.262 -0.914 3.255 1.00 0.45 C ATOM 1182 CD1 PHE A 69 7.727 -0.412 4.431 1.00 1.31 C ATOM 1183 CD2 PHE A 69 7.414 -1.151 2.186 1.00 1.26 C ATOM 1184 CE1 PHE A 69 6.376 -0.153 4.537 1.00 1.30 C ATOM 1185 CE2 PHE A 69 6.062 -0.896 2.287 1.00 1.33 C ATOM 1186 CZ PHE A 69 5.542 -0.396 3.464 1.00 0.59 C ATOM 0 H PHE A 69 12.128 -1.865 3.277 1.00 0.35 H new ATOM 0 HA PHE A 69 10.084 -1.473 5.227 1.00 0.34 H new ATOM 0 HB2 PHE A 69 10.270 -0.242 3.080 1.00 0.42 H new ATOM 0 HB3 PHE A 69 9.925 -1.723 2.209 1.00 0.42 H new ATOM 0 HD1 PHE A 69 8.375 -0.221 5.274 1.00 1.31 H new ATOM 0 HD2 PHE A 69 7.816 -1.540 1.262 1.00 1.26 H new ATOM 0 HE1 PHE A 69 5.971 0.239 5.458 1.00 1.30 H new ATOM 0 HE2 PHE A 69 5.411 -1.087 1.446 1.00 1.33 H new ATOM 0 HZ PHE A 69 4.484 -0.195 3.545 1.00 0.59 H new ATOM 1196 N LEU A 70 10.206 -4.304 3.592 1.00 0.40 N ATOM 1197 CA LEU A 70 9.751 -5.683 3.597 1.00 0.46 C ATOM 1198 C LEU A 70 9.787 -6.248 5.018 1.00 0.47 C ATOM 1199 O LEU A 70 8.848 -6.916 5.463 1.00 0.52 O ATOM 1200 CB LEU A 70 10.638 -6.511 2.667 1.00 0.54 C ATOM 1201 CG LEU A 70 10.325 -8.009 2.609 1.00 0.77 C ATOM 1202 CD1 LEU A 70 8.954 -8.247 1.991 1.00 1.18 C ATOM 1203 CD2 LEU A 70 11.400 -8.743 1.823 1.00 1.43 C ATOM 0 H LEU A 70 10.985 -4.125 2.959 1.00 0.40 H new ATOM 0 HA LEU A 70 8.722 -5.726 3.241 1.00 0.46 H new ATOM 0 HB2 LEU A 70 10.557 -6.103 1.660 1.00 0.54 H new ATOM 0 HB3 LEU A 70 11.675 -6.387 2.979 1.00 0.54 H new ATOM 0 HG LEU A 70 10.312 -8.399 3.627 1.00 0.77 H new ATOM 0 HD11 LEU A 70 8.750 -9.317 1.959 1.00 1.18 H new ATOM 0 HD12 LEU A 70 8.193 -7.751 2.593 1.00 1.18 H new ATOM 0 HD13 LEU A 70 8.936 -7.844 0.979 1.00 1.18 H new ATOM 0 HD21 LEU A 70 11.164 -9.807 1.790 1.00 1.43 H new ATOM 0 HD22 LEU A 70 11.441 -8.349 0.808 1.00 1.43 H new ATOM 0 HD23 LEU A 70 12.366 -8.600 2.307 1.00 1.43 H new ATOM 1215 N SER A 71 10.870 -5.957 5.730 1.00 0.45 N ATOM 1216 CA SER A 71 11.009 -6.361 7.120 1.00 0.50 C ATOM 1217 C SER A 71 9.974 -5.649 7.996 1.00 0.48 C ATOM 1218 O SER A 71 9.427 -6.236 8.930 1.00 0.56 O ATOM 1219 CB SER A 71 12.425 -6.056 7.614 1.00 0.55 C ATOM 1220 OG SER A 71 13.399 -6.649 6.769 1.00 1.50 O ATOM 0 H SER A 71 11.668 -5.439 5.362 1.00 0.45 H new ATOM 0 HA SER A 71 10.834 -7.435 7.190 1.00 0.50 H new ATOM 0 HB2 SER A 71 12.577 -4.977 7.648 1.00 0.55 H new ATOM 0 HB3 SER A 71 12.547 -6.428 8.631 1.00 0.55 H new ATOM 0 HG SER A 71 14.295 -6.438 7.105 1.00 1.50 H new ATOM 1226 N ILE A 72 9.702 -4.387 7.675 1.00 0.40 N ATOM 1227 CA ILE A 72 8.709 -3.603 8.403 1.00 0.39 C ATOM 1228 C ILE A 72 7.310 -4.180 8.203 1.00 0.40 C ATOM 1229 O ILE A 72 6.542 -4.300 9.155 1.00 0.46 O ATOM 1230 CB ILE A 72 8.727 -2.116 7.973 1.00 0.38 C ATOM 1231 CG1 ILE A 72 10.076 -1.482 8.324 1.00 0.42 C ATOM 1232 CG2 ILE A 72 7.588 -1.348 8.633 1.00 0.43 C ATOM 1233 CD1 ILE A 72 10.191 -0.025 7.924 1.00 0.46 C ATOM 0 H ILE A 72 10.157 -3.884 6.913 1.00 0.40 H new ATOM 0 HA ILE A 72 8.971 -3.656 9.460 1.00 0.39 H new ATOM 0 HB ILE A 72 8.587 -2.067 6.893 1.00 0.38 H new ATOM 0 HG12 ILE A 72 10.238 -1.568 9.398 1.00 0.42 H new ATOM 0 HG13 ILE A 72 10.870 -2.047 7.836 1.00 0.42 H new ATOM 0 HG21 ILE A 72 7.621 -0.306 8.316 1.00 0.43 H new ATOM 0 HG22 ILE A 72 6.635 -1.787 8.339 1.00 0.43 H new ATOM 0 HG23 ILE A 72 7.693 -1.401 9.717 1.00 0.43 H new ATOM 0 HD11 ILE A 72 11.174 0.353 8.205 1.00 0.46 H new ATOM 0 HD12 ILE A 72 10.062 0.068 6.846 1.00 0.46 H new ATOM 0 HD13 ILE A 72 9.420 0.554 8.433 1.00 0.46 H new ATOM 1245 N ILE A 73 6.992 -4.549 6.968 1.00 0.40 N ATOM 1246 CA ILE A 73 5.709 -5.175 6.659 1.00 0.47 C ATOM 1247 C ILE A 73 5.511 -6.434 7.497 1.00 0.56 C ATOM 1248 O ILE A 73 4.459 -6.635 8.102 1.00 0.64 O ATOM 1249 CB ILE A 73 5.601 -5.530 5.161 1.00 0.52 C ATOM 1250 CG1 ILE A 73 5.601 -4.256 4.315 1.00 0.51 C ATOM 1251 CG2 ILE A 73 4.352 -6.356 4.886 1.00 0.65 C ATOM 1252 CD1 ILE A 73 5.526 -4.516 2.826 1.00 1.08 C ATOM 0 H ILE A 73 7.605 -4.426 6.162 1.00 0.40 H new ATOM 0 HA ILE A 73 4.928 -4.454 6.900 1.00 0.47 H new ATOM 0 HB ILE A 73 6.468 -6.131 4.887 1.00 0.52 H new ATOM 0 HG12 ILE A 73 4.755 -3.635 4.610 1.00 0.51 H new ATOM 0 HG13 ILE A 73 6.505 -3.687 4.531 1.00 0.51 H new ATOM 0 HG21 ILE A 73 4.299 -6.593 3.823 1.00 0.65 H new ATOM 0 HG22 ILE A 73 4.393 -7.280 5.462 1.00 0.65 H new ATOM 0 HG23 ILE A 73 3.468 -5.787 5.175 1.00 0.65 H new ATOM 0 HD11 ILE A 73 5.530 -3.567 2.290 1.00 1.08 H new ATOM 0 HD12 ILE A 73 6.385 -5.111 2.517 1.00 1.08 H new ATOM 0 HD13 ILE A 73 4.608 -5.058 2.597 1.00 1.08 H new ATOM 1264 N ARG A 74 6.545 -7.259 7.548 1.00 0.60 N ATOM 1265 CA ARG A 74 6.518 -8.484 8.333 1.00 0.75 C ATOM 1266 C ARG A 74 6.374 -8.171 9.826 1.00 0.75 C ATOM 1267 O ARG A 74 5.773 -8.936 10.577 1.00 0.84 O ATOM 1268 CB ARG A 74 7.788 -9.291 8.064 1.00 0.86 C ATOM 1269 CG ARG A 74 7.860 -10.617 8.799 1.00 1.15 C ATOM 1270 CD ARG A 74 9.065 -11.423 8.345 1.00 1.07 C ATOM 1271 NE ARG A 74 10.307 -10.662 8.469 1.00 1.72 N ATOM 1272 CZ ARG A 74 11.186 -10.491 7.481 1.00 2.15 C ATOM 1273 NH1 ARG A 74 10.972 -11.041 6.290 1.00 2.13 N ATOM 1274 NH2 ARG A 74 12.282 -9.770 7.684 1.00 3.12 N ATOM 0 H ARG A 74 7.421 -7.100 7.050 1.00 0.60 H new ATOM 0 HA ARG A 74 5.653 -9.077 8.036 1.00 0.75 H new ATOM 0 HB2 ARG A 74 7.863 -9.479 6.993 1.00 0.86 H new ATOM 0 HB3 ARG A 74 8.652 -8.688 8.343 1.00 0.86 H new ATOM 0 HG2 ARG A 74 7.920 -10.440 9.873 1.00 1.15 H new ATOM 0 HG3 ARG A 74 6.948 -11.187 8.620 1.00 1.15 H new ATOM 0 HD2 ARG A 74 9.137 -12.334 8.938 1.00 1.07 H new ATOM 0 HD3 ARG A 74 8.928 -11.728 7.308 1.00 1.07 H new ATOM 0 HE ARG A 74 10.515 -10.233 9.371 1.00 1.72 H new ATOM 0 HH11 ARG A 74 10.132 -11.597 6.128 1.00 2.13 H new ATOM 0 HH12 ARG A 74 11.648 -10.907 5.538 1.00 2.13 H new ATOM 0 HH21 ARG A 74 12.452 -9.346 8.596 1.00 3.12 H new ATOM 0 HH22 ARG A 74 12.954 -9.640 6.928 1.00 3.12 H new ATOM 1288 N SER A 75 6.910 -7.029 10.239 1.00 0.67 N ATOM 1289 CA SER A 75 6.829 -6.595 11.629 1.00 0.71 C ATOM 1290 C SER A 75 5.441 -6.032 11.950 1.00 0.65 C ATOM 1291 O SER A 75 5.004 -6.044 13.099 1.00 0.70 O ATOM 1292 CB SER A 75 7.909 -5.542 11.905 1.00 0.71 C ATOM 1293 OG SER A 75 7.852 -5.072 13.240 1.00 1.33 O ATOM 0 H SER A 75 7.408 -6.383 9.627 1.00 0.67 H new ATOM 0 HA SER A 75 6.996 -7.459 12.272 1.00 0.71 H new ATOM 0 HB2 SER A 75 8.893 -5.970 11.711 1.00 0.71 H new ATOM 0 HB3 SER A 75 7.785 -4.704 11.218 1.00 0.71 H new ATOM 0 HG SER A 75 8.555 -4.404 13.382 1.00 1.33 H new ATOM 1299 N ARG A 76 4.751 -5.540 10.929 1.00 0.60 N ATOM 1300 CA ARG A 76 3.429 -4.946 11.113 1.00 0.60 C ATOM 1301 C ARG A 76 2.326 -5.953 10.802 1.00 0.66 C ATOM 1302 O ARG A 76 1.141 -5.614 10.816 1.00 0.70 O ATOM 1303 CB ARG A 76 3.269 -3.695 10.241 1.00 0.58 C ATOM 1304 CG ARG A 76 3.747 -2.406 10.902 1.00 1.15 C ATOM 1305 CD ARG A 76 5.202 -2.482 11.341 1.00 1.27 C ATOM 1306 NE ARG A 76 5.685 -1.204 11.861 1.00 1.86 N ATOM 1307 CZ ARG A 76 6.719 -1.074 12.696 1.00 2.28 C ATOM 1308 NH1 ARG A 76 7.363 -2.148 13.145 1.00 2.42 N ATOM 1309 NH2 ARG A 76 7.103 0.133 13.091 1.00 3.11 N ATOM 0 H ARG A 76 5.083 -5.540 9.965 1.00 0.60 H new ATOM 0 HA ARG A 76 3.339 -4.654 12.159 1.00 0.60 H new ATOM 0 HB2 ARG A 76 3.821 -3.840 9.312 1.00 0.58 H new ATOM 0 HB3 ARG A 76 2.218 -3.585 9.973 1.00 0.58 H new ATOM 0 HG2 ARG A 76 3.624 -1.577 10.205 1.00 1.15 H new ATOM 0 HG3 ARG A 76 3.120 -2.191 11.768 1.00 1.15 H new ATOM 0 HD2 ARG A 76 5.310 -3.249 12.108 1.00 1.27 H new ATOM 0 HD3 ARG A 76 5.820 -2.787 10.496 1.00 1.27 H new ATOM 0 HE ARG A 76 5.200 -0.356 11.567 1.00 1.86 H new ATOM 0 HH11 ARG A 76 7.068 -3.079 12.852 1.00 2.42 H new ATOM 0 HH12 ARG A 76 8.152 -2.040 13.783 1.00 2.42 H new ATOM 0 HH21 ARG A 76 6.609 0.960 12.757 1.00 3.11 H new ATOM 0 HH22 ARG A 76 7.893 0.234 13.729 1.00 3.11 H new ATOM 1323 N MET A 77 2.733 -7.182 10.504 1.00 0.71 N ATOM 1324 CA MET A 77 1.802 -8.280 10.257 1.00 0.80 C ATOM 1325 C MET A 77 0.853 -8.469 11.434 1.00 0.82 C ATOM 1326 O MET A 77 1.285 -8.517 12.589 1.00 0.81 O ATOM 1327 CB MET A 77 2.576 -9.580 10.028 1.00 0.89 C ATOM 1328 CG MET A 77 3.104 -9.757 8.615 1.00 1.02 C ATOM 1329 SD MET A 77 1.807 -10.194 7.444 1.00 1.28 S ATOM 1330 CE MET A 77 2.759 -10.391 5.939 1.00 1.06 C ATOM 0 H MET A 77 3.715 -7.446 10.427 1.00 0.71 H new ATOM 0 HA MET A 77 1.219 -8.032 9.370 1.00 0.80 H new ATOM 0 HB2 MET A 77 3.415 -9.616 10.723 1.00 0.89 H new ATOM 0 HB3 MET A 77 1.927 -10.422 10.268 1.00 0.89 H new ATOM 0 HG2 MET A 77 3.585 -8.834 8.292 1.00 1.02 H new ATOM 0 HG3 MET A 77 3.869 -10.533 8.611 1.00 1.02 H new ATOM 0 HE1 MET A 77 2.121 -10.799 5.155 1.00 1.06 H new ATOM 0 HE2 MET A 77 3.146 -9.422 5.624 1.00 1.06 H new ATOM 0 HE3 MET A 77 3.590 -11.072 6.121 1.00 1.06 H new ATOM 1340 N VAL A 78 -0.439 -8.558 11.138 1.00 0.89 N ATOM 1341 CA VAL A 78 -1.430 -8.868 12.165 1.00 0.97 C ATOM 1342 C VAL A 78 -1.288 -10.327 12.589 1.00 1.00 C ATOM 1343 O VAL A 78 -1.539 -10.687 13.740 1.00 1.07 O ATOM 1344 CB VAL A 78 -2.873 -8.589 11.679 1.00 1.02 C ATOM 1345 CG1 VAL A 78 -3.901 -9.054 12.699 1.00 1.28 C ATOM 1346 CG2 VAL A 78 -3.057 -7.108 11.396 1.00 1.66 C ATOM 0 H VAL A 78 -0.824 -8.421 10.203 1.00 0.89 H new ATOM 0 HA VAL A 78 -1.244 -8.217 13.019 1.00 0.97 H new ATOM 0 HB VAL A 78 -3.029 -9.153 10.759 1.00 1.02 H new ATOM 0 HG11 VAL A 78 -4.904 -8.843 12.327 1.00 1.28 H new ATOM 0 HG12 VAL A 78 -3.792 -10.126 12.862 1.00 1.28 H new ATOM 0 HG13 VAL A 78 -3.745 -8.526 13.640 1.00 1.28 H new ATOM 0 HG21 VAL A 78 -4.076 -6.927 11.055 1.00 1.66 H new ATOM 0 HG22 VAL A 78 -2.872 -6.538 12.306 1.00 1.66 H new ATOM 0 HG23 VAL A 78 -2.355 -6.795 10.623 1.00 1.66 H new ATOM 1356 N LEU A 79 -0.864 -11.151 11.651 1.00 1.03 N ATOM 1357 CA LEU A 79 -0.562 -12.545 11.926 1.00 1.12 C ATOM 1358 C LEU A 79 0.899 -12.803 11.584 1.00 1.09 C ATOM 1359 O LEU A 79 1.343 -12.471 10.486 1.00 1.19 O ATOM 1360 CB LEU A 79 -1.472 -13.461 11.106 1.00 1.35 C ATOM 1361 CG LEU A 79 -1.329 -14.958 11.396 1.00 1.60 C ATOM 1362 CD1 LEU A 79 -1.777 -15.277 12.814 1.00 2.06 C ATOM 1363 CD2 LEU A 79 -2.128 -15.772 10.389 1.00 2.29 C ATOM 0 H LEU A 79 -0.719 -10.876 10.680 1.00 1.03 H new ATOM 0 HA LEU A 79 -0.736 -12.757 12.981 1.00 1.12 H new ATOM 0 HB2 LEU A 79 -2.507 -13.171 11.284 1.00 1.35 H new ATOM 0 HB3 LEU A 79 -1.271 -13.292 10.048 1.00 1.35 H new ATOM 0 HG LEU A 79 -0.277 -15.226 11.302 1.00 1.60 H new ATOM 0 HD11 LEU A 79 -1.667 -16.346 12.999 1.00 2.06 H new ATOM 0 HD12 LEU A 79 -1.163 -14.721 13.523 1.00 2.06 H new ATOM 0 HD13 LEU A 79 -2.822 -14.993 12.938 1.00 2.06 H new ATOM 0 HD21 LEU A 79 -2.016 -16.834 10.609 1.00 2.29 H new ATOM 0 HD22 LEU A 79 -3.181 -15.497 10.453 1.00 2.29 H new ATOM 0 HD23 LEU A 79 -1.760 -15.569 9.383 1.00 2.29 H new ATOM 1375 N ARG A 80 1.642 -13.369 12.532 1.00 1.18 N ATOM 1376 CA ARG A 80 3.077 -13.583 12.363 1.00 1.28 C ATOM 1377 C ARG A 80 3.375 -14.363 11.087 1.00 1.31 C ATOM 1378 O ARG A 80 2.899 -15.485 10.901 1.00 1.48 O ATOM 1379 CB ARG A 80 3.665 -14.316 13.574 1.00 1.62 C ATOM 1380 CG ARG A 80 5.156 -14.594 13.446 1.00 2.43 C ATOM 1381 CD ARG A 80 5.724 -15.245 14.699 1.00 2.82 C ATOM 1382 NE ARG A 80 5.737 -14.334 15.844 1.00 3.25 N ATOM 1383 CZ ARG A 80 6.325 -14.615 17.008 1.00 3.84 C ATOM 1384 NH1 ARG A 80 6.949 -15.774 17.174 1.00 4.09 N ATOM 1385 NH2 ARG A 80 6.297 -13.736 18.003 1.00 4.54 N ATOM 0 H ARG A 80 1.273 -13.688 13.428 1.00 1.18 H new ATOM 0 HA ARG A 80 3.546 -12.602 12.283 1.00 1.28 H new ATOM 0 HB2 ARG A 80 3.489 -13.721 14.470 1.00 1.62 H new ATOM 0 HB3 ARG A 80 3.137 -15.260 13.710 1.00 1.62 H new ATOM 0 HG2 ARG A 80 5.331 -15.244 12.589 1.00 2.43 H new ATOM 0 HG3 ARG A 80 5.684 -13.660 13.252 1.00 2.43 H new ATOM 0 HD2 ARG A 80 5.133 -16.127 14.947 1.00 2.82 H new ATOM 0 HD3 ARG A 80 6.739 -15.587 14.499 1.00 2.82 H new ATOM 0 HE ARG A 80 5.270 -13.433 15.747 1.00 3.25 H new ATOM 0 HH11 ARG A 80 6.979 -16.451 16.411 1.00 4.09 H new ATOM 0 HH12 ARG A 80 7.398 -15.988 18.064 1.00 4.09 H new ATOM 0 HH21 ARG A 80 5.824 -12.841 17.879 1.00 4.54 H new ATOM 0 HH22 ARG A 80 6.748 -13.956 18.891 1.00 4.54 H new ATOM 1399 N ALA A 81 4.159 -13.750 10.214 1.00 1.49 N ATOM 1400 CA ALA A 81 4.531 -14.359 8.954 1.00 1.84 C ATOM 1401 C ALA A 81 5.877 -15.051 9.078 1.00 1.79 C ATOM 1402 O ALA A 81 6.907 -14.403 9.268 1.00 2.59 O ATOM 1403 CB ALA A 81 4.565 -13.314 7.848 1.00 2.91 C ATOM 0 H ALA A 81 4.552 -12.820 10.361 1.00 1.49 H new ATOM 0 HA ALA A 81 3.782 -15.108 8.695 1.00 1.84 H new ATOM 0 HB1 ALA A 81 4.846 -13.788 6.908 1.00 2.91 H new ATOM 0 HB2 ALA A 81 3.579 -12.861 7.745 1.00 2.91 H new ATOM 0 HB3 ALA A 81 5.294 -12.543 8.098 1.00 2.91 H new ATOM 1409 N THR A 82 5.856 -16.365 8.991 1.00 1.83 N ATOM 1410 CA THR A 82 7.072 -17.155 9.057 1.00 2.56 C ATOM 1411 C THR A 82 7.404 -17.695 7.670 1.00 2.23 C ATOM 1412 O THR A 82 8.433 -18.339 7.457 1.00 2.92 O ATOM 1413 CB THR A 82 6.936 -18.312 10.072 1.00 3.57 C ATOM 1414 OG1 THR A 82 8.170 -19.032 10.183 1.00 4.30 O ATOM 1415 CG2 THR A 82 5.823 -19.265 9.668 1.00 4.27 C ATOM 0 H THR A 82 5.004 -16.913 8.873 1.00 1.83 H new ATOM 0 HA THR A 82 7.884 -16.514 9.399 1.00 2.56 H new ATOM 0 HB THR A 82 6.688 -17.876 11.040 1.00 3.57 H new ATOM 0 HG1 THR A 82 8.647 -18.997 9.328 1.00 4.30 H new ATOM 0 HG21 THR A 82 5.749 -20.070 10.400 1.00 4.27 H new ATOM 0 HG22 THR A 82 4.878 -18.724 9.627 1.00 4.27 H new ATOM 0 HG23 THR A 82 6.043 -19.686 8.687 1.00 4.27 H new ATOM 1423 N GLU A 83 6.515 -17.418 6.735 1.00 1.53 N ATOM 1424 CA GLU A 83 6.720 -17.775 5.345 1.00 1.50 C ATOM 1425 C GLU A 83 7.279 -16.576 4.587 1.00 1.17 C ATOM 1426 O GLU A 83 7.055 -15.426 4.975 1.00 1.67 O ATOM 1427 CB GLU A 83 5.406 -18.250 4.698 1.00 2.09 C ATOM 1428 CG GLU A 83 4.228 -17.297 4.873 1.00 2.50 C ATOM 1429 CD GLU A 83 3.480 -17.504 6.179 1.00 2.97 C ATOM 1430 OE1 GLU A 83 3.866 -16.905 7.201 1.00 3.64 O ATOM 1431 OE2 GLU A 83 2.495 -18.276 6.187 1.00 3.25 O ATOM 0 H GLU A 83 5.632 -16.940 6.917 1.00 1.53 H new ATOM 0 HA GLU A 83 7.434 -18.598 5.298 1.00 1.50 H new ATOM 0 HB2 GLU A 83 5.576 -18.403 3.632 1.00 2.09 H new ATOM 0 HB3 GLU A 83 5.138 -19.218 5.121 1.00 2.09 H new ATOM 0 HG2 GLU A 83 4.590 -16.270 4.828 1.00 2.50 H new ATOM 0 HG3 GLU A 83 3.536 -17.428 4.041 1.00 2.50 H new ATOM 1438 N ALA A 84 8.026 -16.846 3.528 1.00 1.00 N ATOM 1439 CA ALA A 84 8.612 -15.788 2.723 1.00 0.89 C ATOM 1440 C ALA A 84 7.576 -15.206 1.775 1.00 0.77 C ATOM 1441 O ALA A 84 6.813 -15.940 1.144 1.00 0.92 O ATOM 1442 CB ALA A 84 9.811 -16.310 1.945 1.00 1.27 C ATOM 0 H ALA A 84 8.240 -17.790 3.206 1.00 1.00 H new ATOM 0 HA ALA A 84 8.953 -14.997 3.391 1.00 0.89 H new ATOM 0 HB1 ALA A 84 10.237 -15.503 1.348 1.00 1.27 H new ATOM 0 HB2 ALA A 84 10.563 -16.682 2.641 1.00 1.27 H new ATOM 0 HB3 ALA A 84 9.494 -17.119 1.288 1.00 1.27 H new ATOM 1448 N PHE A 85 7.552 -13.891 1.680 1.00 0.63 N ATOM 1449 CA PHE A 85 6.615 -13.200 0.811 1.00 0.53 C ATOM 1450 C PHE A 85 7.328 -12.049 0.119 1.00 0.51 C ATOM 1451 O PHE A 85 8.293 -11.506 0.652 1.00 0.58 O ATOM 1452 CB PHE A 85 5.403 -12.699 1.612 1.00 0.50 C ATOM 1453 CG PHE A 85 5.705 -11.591 2.583 1.00 0.50 C ATOM 1454 CD1 PHE A 85 6.355 -11.850 3.780 1.00 1.33 C ATOM 1455 CD2 PHE A 85 5.329 -10.290 2.297 1.00 1.08 C ATOM 1456 CE1 PHE A 85 6.626 -10.828 4.671 1.00 1.38 C ATOM 1457 CE2 PHE A 85 5.593 -9.268 3.181 1.00 1.09 C ATOM 1458 CZ PHE A 85 6.243 -9.535 4.370 1.00 0.62 C ATOM 0 H PHE A 85 8.176 -13.273 2.199 1.00 0.63 H new ATOM 0 HA PHE A 85 6.245 -13.892 0.054 1.00 0.53 H new ATOM 0 HB2 PHE A 85 4.641 -12.354 0.913 1.00 0.50 H new ATOM 0 HB3 PHE A 85 4.976 -13.538 2.161 1.00 0.50 H new ATOM 0 HD1 PHE A 85 6.653 -12.860 4.019 1.00 1.33 H new ATOM 0 HD2 PHE A 85 4.822 -10.074 1.368 1.00 1.08 H new ATOM 0 HE1 PHE A 85 7.136 -11.040 5.599 1.00 1.38 H new ATOM 0 HE2 PHE A 85 5.292 -8.258 2.945 1.00 1.09 H new ATOM 0 HZ PHE A 85 6.452 -8.734 5.064 1.00 0.62 H new ATOM 1468 N TYR A 86 6.879 -11.695 -1.074 1.00 0.49 N ATOM 1469 CA TYR A 86 7.522 -10.632 -1.828 1.00 0.55 C ATOM 1470 C TYR A 86 6.615 -9.423 -1.952 1.00 0.53 C ATOM 1471 O TYR A 86 5.389 -9.549 -1.961 1.00 0.48 O ATOM 1472 CB TYR A 86 7.953 -11.106 -3.222 1.00 0.65 C ATOM 1473 CG TYR A 86 6.842 -11.633 -4.107 1.00 0.96 C ATOM 1474 CD1 TYR A 86 6.084 -10.775 -4.894 1.00 1.96 C ATOM 1475 CD2 TYR A 86 6.571 -12.991 -4.175 1.00 1.54 C ATOM 1476 CE1 TYR A 86 5.084 -11.257 -5.719 1.00 2.64 C ATOM 1477 CE2 TYR A 86 5.575 -13.481 -4.994 1.00 2.12 C ATOM 1478 CZ TYR A 86 4.835 -12.613 -5.764 1.00 2.49 C ATOM 1479 OH TYR A 86 3.841 -13.101 -6.584 1.00 3.30 O ATOM 0 H TYR A 86 6.078 -12.124 -1.538 1.00 0.49 H new ATOM 0 HA TYR A 86 8.416 -10.346 -1.273 1.00 0.55 H new ATOM 0 HB2 TYR A 86 8.438 -10.275 -3.735 1.00 0.65 H new ATOM 0 HB3 TYR A 86 8.702 -11.889 -3.104 1.00 0.65 H new ATOM 0 HD1 TYR A 86 6.279 -9.713 -4.861 1.00 1.96 H new ATOM 0 HD2 TYR A 86 7.150 -13.678 -3.576 1.00 1.54 H new ATOM 0 HE1 TYR A 86 4.502 -10.577 -6.323 1.00 2.64 H new ATOM 0 HE2 TYR A 86 5.377 -14.542 -5.031 1.00 2.12 H new ATOM 0 HH TYR A 86 3.796 -14.076 -6.499 1.00 3.30 H new ATOM 1489 N LEU A 87 7.230 -8.257 -2.042 1.00 0.62 N ATOM 1490 CA LEU A 87 6.504 -7.019 -2.230 1.00 0.63 C ATOM 1491 C LEU A 87 6.632 -6.567 -3.680 1.00 0.67 C ATOM 1492 O LEU A 87 7.714 -6.195 -4.135 1.00 0.91 O ATOM 1493 CB LEU A 87 7.037 -5.943 -1.284 1.00 0.81 C ATOM 1494 CG LEU A 87 6.256 -4.629 -1.279 1.00 0.83 C ATOM 1495 CD1 LEU A 87 4.831 -4.853 -0.797 1.00 1.44 C ATOM 1496 CD2 LEU A 87 6.962 -3.604 -0.408 1.00 1.56 C ATOM 0 H LEU A 87 8.242 -8.144 -1.987 1.00 0.62 H new ATOM 0 HA LEU A 87 5.451 -7.183 -2.002 1.00 0.63 H new ATOM 0 HB2 LEU A 87 7.045 -6.345 -0.271 1.00 0.81 H new ATOM 0 HB3 LEU A 87 8.072 -5.730 -1.550 1.00 0.81 H new ATOM 0 HG LEU A 87 6.211 -4.247 -2.299 1.00 0.83 H new ATOM 0 HD11 LEU A 87 4.292 -3.905 -0.801 1.00 1.44 H new ATOM 0 HD12 LEU A 87 4.329 -5.558 -1.460 1.00 1.44 H new ATOM 0 HD13 LEU A 87 4.849 -5.256 0.216 1.00 1.44 H new ATOM 0 HD21 LEU A 87 6.397 -2.672 -0.412 1.00 1.56 H new ATOM 0 HD22 LEU A 87 7.033 -3.981 0.612 1.00 1.56 H new ATOM 0 HD23 LEU A 87 7.963 -3.423 -0.799 1.00 1.56 H new ATOM 1508 N LEU A 88 5.526 -6.619 -4.392 1.00 0.52 N ATOM 1509 CA LEU A 88 5.492 -6.287 -5.803 1.00 0.60 C ATOM 1510 C LEU A 88 4.918 -4.885 -5.989 1.00 0.69 C ATOM 1511 O LEU A 88 3.824 -4.582 -5.515 1.00 0.75 O ATOM 1512 CB LEU A 88 4.639 -7.325 -6.541 1.00 0.63 C ATOM 1513 CG LEU A 88 4.667 -7.257 -8.068 1.00 0.70 C ATOM 1514 CD1 LEU A 88 6.062 -7.545 -8.597 1.00 1.54 C ATOM 1515 CD2 LEU A 88 3.667 -8.243 -8.654 1.00 1.48 C ATOM 0 H LEU A 88 4.622 -6.893 -4.008 1.00 0.52 H new ATOM 0 HA LEU A 88 6.502 -6.301 -6.214 1.00 0.60 H new ATOM 0 HB2 LEU A 88 4.968 -8.318 -6.236 1.00 0.63 H new ATOM 0 HB3 LEU A 88 3.606 -7.216 -6.212 1.00 0.63 H new ATOM 0 HG LEU A 88 4.389 -6.248 -8.372 1.00 0.70 H new ATOM 0 HD11 LEU A 88 6.057 -7.491 -9.686 1.00 1.54 H new ATOM 0 HD12 LEU A 88 6.761 -6.808 -8.200 1.00 1.54 H new ATOM 0 HD13 LEU A 88 6.371 -8.543 -8.285 1.00 1.54 H new ATOM 0 HD21 LEU A 88 3.695 -8.186 -9.742 1.00 1.48 H new ATOM 0 HD22 LEU A 88 3.924 -9.254 -8.337 1.00 1.48 H new ATOM 0 HD23 LEU A 88 2.665 -7.996 -8.304 1.00 1.48 H new ATOM 1527 N VAL A 89 5.654 -4.033 -6.676 1.00 0.78 N ATOM 1528 CA VAL A 89 5.251 -2.646 -6.852 1.00 0.93 C ATOM 1529 C VAL A 89 4.673 -2.437 -8.242 1.00 1.07 C ATOM 1530 O VAL A 89 5.355 -2.667 -9.247 1.00 1.19 O ATOM 1531 CB VAL A 89 6.440 -1.683 -6.655 1.00 1.10 C ATOM 1532 CG1 VAL A 89 5.970 -0.236 -6.649 1.00 1.31 C ATOM 1533 CG2 VAL A 89 7.194 -2.013 -5.377 1.00 1.11 C ATOM 0 H VAL A 89 6.538 -4.275 -7.124 1.00 0.78 H new ATOM 0 HA VAL A 89 4.495 -2.429 -6.098 1.00 0.93 H new ATOM 0 HB VAL A 89 7.123 -1.812 -7.494 1.00 1.10 H new ATOM 0 HG11 VAL A 89 6.826 0.424 -6.509 1.00 1.31 H new ATOM 0 HG12 VAL A 89 5.487 -0.006 -7.599 1.00 1.31 H new ATOM 0 HG13 VAL A 89 5.260 -0.087 -5.835 1.00 1.31 H new ATOM 0 HG21 VAL A 89 8.028 -1.322 -5.258 1.00 1.11 H new ATOM 0 HG22 VAL A 89 6.522 -1.921 -4.524 1.00 1.11 H new ATOM 0 HG23 VAL A 89 7.573 -3.033 -5.432 1.00 1.11 H new ATOM 1543 N ASN A 90 3.403 -2.029 -8.282 1.00 1.13 N ATOM 1544 CA ASN A 90 2.695 -1.760 -9.534 1.00 1.36 C ATOM 1545 C ASN A 90 2.658 -3.014 -10.408 1.00 1.43 C ATOM 1546 O ASN A 90 2.637 -2.936 -11.637 1.00 1.64 O ATOM 1547 CB ASN A 90 3.354 -0.585 -10.278 1.00 1.58 C ATOM 1548 CG ASN A 90 2.527 -0.077 -11.447 1.00 1.62 C ATOM 1549 OD1 ASN A 90 1.296 -0.150 -11.441 1.00 2.22 O ATOM 1550 ND2 ASN A 90 3.197 0.451 -12.458 1.00 1.89 N ATOM 0 H ASN A 90 2.837 -1.876 -7.447 1.00 1.13 H new ATOM 0 HA ASN A 90 1.667 -1.481 -9.303 1.00 1.36 H new ATOM 0 HB2 ASN A 90 3.521 0.233 -9.577 1.00 1.58 H new ATOM 0 HB3 ASN A 90 4.333 -0.897 -10.642 1.00 1.58 H new ATOM 0 HD21 ASN A 90 2.695 0.815 -13.268 1.00 1.89 H new ATOM 0 HD22 ASN A 90 4.216 0.494 -12.428 1.00 1.89 H new ATOM 1557 N ASN A 91 2.650 -4.175 -9.751 1.00 1.31 N ATOM 1558 CA ASN A 91 2.650 -5.474 -10.432 1.00 1.48 C ATOM 1559 C ASN A 91 3.765 -5.565 -11.473 1.00 1.59 C ATOM 1560 O ASN A 91 3.621 -6.240 -12.495 1.00 1.80 O ATOM 1561 CB ASN A 91 1.288 -5.748 -11.082 1.00 1.73 C ATOM 1562 CG ASN A 91 0.223 -6.111 -10.062 1.00 2.02 C ATOM 1563 OD1 ASN A 91 0.518 -6.696 -9.024 1.00 2.53 O ATOM 1564 ND2 ASN A 91 -1.024 -5.773 -10.354 1.00 2.31 N ATOM 0 H ASN A 91 2.643 -4.243 -8.733 1.00 1.31 H new ATOM 0 HA ASN A 91 2.837 -6.237 -9.677 1.00 1.48 H new ATOM 0 HB2 ASN A 91 0.970 -4.866 -11.638 1.00 1.73 H new ATOM 0 HB3 ASN A 91 1.389 -6.560 -11.803 1.00 1.73 H new ATOM 0 HD21 ASN A 91 -1.779 -5.998 -9.706 1.00 2.31 H new ATOM 0 HD22 ASN A 91 -1.230 -5.287 -11.227 1.00 2.31 H new ATOM 1571 N LYS A 92 4.881 -4.894 -11.206 1.00 1.53 N ATOM 1572 CA LYS A 92 5.988 -4.851 -12.150 1.00 1.72 C ATOM 1573 C LYS A 92 7.316 -5.132 -11.454 1.00 1.45 C ATOM 1574 O LYS A 92 8.024 -6.077 -11.805 1.00 1.47 O ATOM 1575 CB LYS A 92 6.045 -3.479 -12.830 1.00 2.06 C ATOM 1576 CG LYS A 92 7.064 -3.399 -13.957 1.00 2.55 C ATOM 1577 CD LYS A 92 7.257 -1.970 -14.444 1.00 3.00 C ATOM 1578 CE LYS A 92 5.974 -1.373 -15.011 1.00 3.63 C ATOM 1579 NZ LYS A 92 5.494 -2.099 -16.214 1.00 3.95 N ATOM 0 H LYS A 92 5.041 -4.373 -10.344 1.00 1.53 H new ATOM 0 HA LYS A 92 5.821 -5.624 -12.900 1.00 1.72 H new ATOM 0 HB2 LYS A 92 5.058 -3.238 -13.226 1.00 2.06 H new ATOM 0 HB3 LYS A 92 6.282 -2.722 -12.083 1.00 2.06 H new ATOM 0 HG2 LYS A 92 8.018 -3.798 -13.613 1.00 2.55 H new ATOM 0 HG3 LYS A 92 6.738 -4.025 -14.787 1.00 2.55 H new ATOM 0 HD2 LYS A 92 7.609 -1.352 -13.618 1.00 3.00 H new ATOM 0 HD3 LYS A 92 8.033 -1.951 -15.209 1.00 3.00 H new ATOM 0 HE2 LYS A 92 5.199 -1.392 -14.245 1.00 3.63 H new ATOM 0 HE3 LYS A 92 6.145 -0.327 -15.266 1.00 3.63 H new ATOM 0 HZ1 LYS A 92 4.701 -1.578 -16.640 1.00 3.95 H new ATOM 0 HZ2 LYS A 92 6.268 -2.177 -16.904 1.00 3.95 H new ATOM 0 HZ3 LYS A 92 5.176 -3.051 -15.941 1.00 3.95 H new ATOM 1593 N SER A 93 7.645 -4.314 -10.467 1.00 1.35 N ATOM 1594 CA SER A 93 8.927 -4.414 -9.787 1.00 1.32 C ATOM 1595 C SER A 93 8.797 -5.202 -8.491 1.00 0.95 C ATOM 1596 O SER A 93 7.843 -5.020 -7.743 1.00 0.79 O ATOM 1597 CB SER A 93 9.470 -3.015 -9.488 1.00 1.67 C ATOM 1598 OG SER A 93 10.733 -3.077 -8.846 1.00 2.32 O ATOM 0 H SER A 93 7.040 -3.571 -10.118 1.00 1.35 H new ATOM 0 HA SER A 93 9.620 -4.941 -10.443 1.00 1.32 H new ATOM 0 HB2 SER A 93 9.559 -2.452 -10.417 1.00 1.67 H new ATOM 0 HB3 SER A 93 8.764 -2.477 -8.855 1.00 1.67 H new ATOM 0 HG SER A 93 11.055 -2.168 -8.669 1.00 2.32 H new ATOM 1604 N LEU A 94 9.758 -6.076 -8.237 1.00 0.99 N ATOM 1605 CA LEU A 94 9.804 -6.827 -6.992 1.00 0.89 C ATOM 1606 C LEU A 94 10.565 -6.033 -5.938 1.00 1.29 C ATOM 1607 O LEU A 94 10.783 -4.829 -6.102 1.00 1.99 O ATOM 1608 CB LEU A 94 10.467 -8.198 -7.196 1.00 1.28 C ATOM 1609 CG LEU A 94 9.645 -9.236 -7.967 1.00 1.37 C ATOM 1610 CD1 LEU A 94 9.567 -8.892 -9.448 1.00 1.82 C ATOM 1611 CD2 LEU A 94 10.236 -10.624 -7.774 1.00 2.04 C ATOM 0 H LEU A 94 10.521 -6.284 -8.881 1.00 0.99 H new ATOM 0 HA LEU A 94 8.781 -6.992 -6.654 1.00 0.89 H new ATOM 0 HB2 LEU A 94 11.410 -8.048 -7.721 1.00 1.28 H new ATOM 0 HB3 LEU A 94 10.710 -8.611 -6.217 1.00 1.28 H new ATOM 0 HG LEU A 94 8.630 -9.225 -7.569 1.00 1.37 H new ATOM 0 HD11 LEU A 94 8.977 -9.648 -9.967 1.00 1.82 H new ATOM 0 HD12 LEU A 94 9.096 -7.917 -9.571 1.00 1.82 H new ATOM 0 HD13 LEU A 94 10.572 -8.865 -9.869 1.00 1.82 H new ATOM 0 HD21 LEU A 94 9.643 -11.352 -8.327 1.00 2.04 H new ATOM 0 HD22 LEU A 94 11.262 -10.637 -8.142 1.00 2.04 H new ATOM 0 HD23 LEU A 94 10.228 -10.879 -6.714 1.00 2.04 H new ATOM 1623 N VAL A 95 10.965 -6.699 -4.863 1.00 1.62 N ATOM 1624 CA VAL A 95 11.744 -6.053 -3.817 1.00 2.26 C ATOM 1625 C VAL A 95 13.146 -5.716 -4.324 1.00 1.64 C ATOM 1626 O VAL A 95 14.082 -6.513 -4.201 1.00 1.76 O ATOM 1627 CB VAL A 95 11.846 -6.933 -2.548 1.00 3.39 C ATOM 1628 CG1 VAL A 95 12.676 -6.249 -1.469 1.00 4.29 C ATOM 1629 CG2 VAL A 95 10.461 -7.262 -2.013 1.00 3.92 C ATOM 0 H VAL A 95 10.763 -7.684 -4.693 1.00 1.62 H new ATOM 0 HA VAL A 95 11.224 -5.133 -3.549 1.00 2.26 H new ATOM 0 HB VAL A 95 12.346 -7.861 -2.826 1.00 3.39 H new ATOM 0 HG11 VAL A 95 12.730 -6.891 -0.590 1.00 4.29 H new ATOM 0 HG12 VAL A 95 13.682 -6.065 -1.846 1.00 4.29 H new ATOM 0 HG13 VAL A 95 12.211 -5.301 -1.198 1.00 4.29 H new ATOM 0 HG21 VAL A 95 10.553 -7.881 -1.121 1.00 3.92 H new ATOM 0 HG22 VAL A 95 9.939 -6.339 -1.761 1.00 3.92 H new ATOM 0 HG23 VAL A 95 9.896 -7.802 -2.773 1.00 3.92 H new ATOM 1639 N SER A 96 13.268 -4.548 -4.933 1.00 1.30 N ATOM 1640 CA SER A 96 14.556 -4.030 -5.348 1.00 0.98 C ATOM 1641 C SER A 96 15.374 -3.665 -4.115 1.00 0.84 C ATOM 1642 O SER A 96 15.205 -2.591 -3.536 1.00 0.92 O ATOM 1643 CB SER A 96 14.352 -2.811 -6.249 1.00 1.28 C ATOM 1644 OG SER A 96 13.473 -3.112 -7.321 1.00 1.90 O ATOM 0 H SER A 96 12.481 -3.937 -5.151 1.00 1.30 H new ATOM 0 HA SER A 96 15.098 -4.788 -5.913 1.00 0.98 H new ATOM 0 HB2 SER A 96 13.948 -1.985 -5.664 1.00 1.28 H new ATOM 0 HB3 SER A 96 15.313 -2.481 -6.644 1.00 1.28 H new ATOM 0 HG SER A 96 13.357 -2.317 -7.882 1.00 1.90 H new ATOM 1650 N MET A 97 16.254 -4.574 -3.720 1.00 0.90 N ATOM 1651 CA MET A 97 16.993 -4.459 -2.468 1.00 0.98 C ATOM 1652 C MET A 97 17.885 -3.225 -2.434 1.00 0.85 C ATOM 1653 O MET A 97 18.213 -2.716 -1.361 1.00 1.03 O ATOM 1654 CB MET A 97 17.833 -5.723 -2.220 1.00 1.25 C ATOM 1655 CG MET A 97 18.806 -6.069 -3.341 1.00 1.56 C ATOM 1656 SD MET A 97 17.982 -6.683 -4.826 1.00 2.24 S ATOM 1657 CE MET A 97 19.389 -6.992 -5.888 1.00 2.85 C ATOM 0 H MET A 97 16.477 -5.412 -4.257 1.00 0.90 H new ATOM 0 HA MET A 97 16.256 -4.352 -1.672 1.00 0.98 H new ATOM 0 HB2 MET A 97 18.396 -5.594 -1.295 1.00 1.25 H new ATOM 0 HB3 MET A 97 17.160 -6.567 -2.068 1.00 1.25 H new ATOM 0 HG2 MET A 97 19.389 -5.183 -3.595 1.00 1.56 H new ATOM 0 HG3 MET A 97 19.509 -6.822 -2.985 1.00 1.56 H new ATOM 0 HE1 MET A 97 19.043 -7.377 -6.847 1.00 2.85 H new ATOM 0 HE2 MET A 97 19.937 -6.063 -6.046 1.00 2.85 H new ATOM 0 HE3 MET A 97 20.045 -7.725 -5.419 1.00 2.85 H new ATOM 1667 N SER A 98 18.261 -2.738 -3.600 1.00 0.68 N ATOM 1668 CA SER A 98 19.159 -1.600 -3.686 1.00 0.71 C ATOM 1669 C SER A 98 18.379 -0.296 -3.845 1.00 0.61 C ATOM 1670 O SER A 98 18.908 0.788 -3.598 1.00 0.71 O ATOM 1671 CB SER A 98 20.127 -1.787 -4.856 1.00 0.83 C ATOM 1672 OG SER A 98 21.113 -0.771 -4.879 1.00 1.60 O ATOM 0 H SER A 98 17.960 -3.111 -4.500 1.00 0.68 H new ATOM 0 HA SER A 98 19.728 -1.540 -2.758 1.00 0.71 H new ATOM 0 HB2 SER A 98 20.609 -2.762 -4.779 1.00 0.83 H new ATOM 0 HB3 SER A 98 19.572 -1.779 -5.794 1.00 0.83 H new ATOM 0 HG SER A 98 20.752 0.045 -4.473 1.00 1.60 H new ATOM 1678 N ALA A 99 17.112 -0.405 -4.229 1.00 0.49 N ATOM 1679 CA ALA A 99 16.309 0.772 -4.525 1.00 0.46 C ATOM 1680 C ALA A 99 15.681 1.354 -3.267 1.00 0.43 C ATOM 1681 O ALA A 99 15.202 0.624 -2.394 1.00 0.44 O ATOM 1682 CB ALA A 99 15.234 0.443 -5.546 1.00 0.51 C ATOM 0 H ALA A 99 16.622 -1.293 -4.342 1.00 0.49 H new ATOM 0 HA ALA A 99 16.976 1.526 -4.944 1.00 0.46 H new ATOM 0 HB1 ALA A 99 14.644 1.336 -5.754 1.00 0.51 H new ATOM 0 HB2 ALA A 99 15.701 0.094 -6.467 1.00 0.51 H new ATOM 0 HB3 ALA A 99 14.584 -0.337 -5.151 1.00 0.51 H new ATOM 1688 N THR A 100 15.697 2.673 -3.187 1.00 0.42 N ATOM 1689 CA THR A 100 15.116 3.389 -2.066 1.00 0.41 C ATOM 1690 C THR A 100 13.674 3.771 -2.360 1.00 0.41 C ATOM 1691 O THR A 100 13.261 3.810 -3.523 1.00 0.40 O ATOM 1692 CB THR A 100 15.912 4.670 -1.765 1.00 0.41 C ATOM 1693 OG1 THR A 100 15.973 5.491 -2.943 1.00 0.38 O ATOM 1694 CG2 THR A 100 17.321 4.336 -1.298 1.00 0.47 C ATOM 0 H THR A 100 16.113 3.277 -3.896 1.00 0.42 H new ATOM 0 HA THR A 100 15.150 2.726 -1.202 1.00 0.41 H new ATOM 0 HB THR A 100 15.404 5.212 -0.967 1.00 0.41 H new ATOM 0 HG1 THR A 100 16.533 5.054 -3.618 1.00 0.38 H new ATOM 0 HG21 THR A 100 17.864 5.258 -1.091 1.00 0.47 H new ATOM 0 HG22 THR A 100 17.270 3.734 -0.391 1.00 0.47 H new ATOM 0 HG23 THR A 100 17.839 3.776 -2.077 1.00 0.47 H new ATOM 1702 N MET A 101 12.912 4.062 -1.312 1.00 0.43 N ATOM 1703 CA MET A 101 11.545 4.541 -1.470 1.00 0.45 C ATOM 1704 C MET A 101 11.511 5.834 -2.263 1.00 0.39 C ATOM 1705 O MET A 101 10.535 6.118 -2.956 1.00 0.39 O ATOM 1706 CB MET A 101 10.871 4.740 -0.113 1.00 0.54 C ATOM 1707 CG MET A 101 10.135 3.504 0.364 1.00 0.71 C ATOM 1708 SD MET A 101 11.202 2.061 0.478 1.00 1.18 S ATOM 1709 CE MET A 101 9.975 0.764 0.507 1.00 0.89 C ATOM 0 H MET A 101 13.219 3.974 -0.343 1.00 0.43 H new ATOM 0 HA MET A 101 10.993 3.780 -2.021 1.00 0.45 H new ATOM 0 HB2 MET A 101 11.624 5.016 0.625 1.00 0.54 H new ATOM 0 HB3 MET A 101 10.170 5.572 -0.179 1.00 0.54 H new ATOM 0 HG2 MET A 101 9.694 3.703 1.341 1.00 0.71 H new ATOM 0 HG3 MET A 101 9.313 3.290 -0.319 1.00 0.71 H new ATOM 0 HE1 MET A 101 10.456 -0.187 0.736 1.00 0.89 H new ATOM 0 HE2 MET A 101 9.229 0.986 1.270 1.00 0.89 H new ATOM 0 HE3 MET A 101 9.490 0.700 -0.467 1.00 0.89 H new ATOM 1719 N ALA A 102 12.585 6.610 -2.169 1.00 0.38 N ATOM 1720 CA ALA A 102 12.703 7.839 -2.932 1.00 0.37 C ATOM 1721 C ALA A 102 12.629 7.542 -4.422 1.00 0.35 C ATOM 1722 O ALA A 102 11.812 8.114 -5.139 1.00 0.39 O ATOM 1723 CB ALA A 102 14.007 8.548 -2.599 1.00 0.37 C ATOM 0 H ALA A 102 13.385 6.406 -1.570 1.00 0.38 H new ATOM 0 HA ALA A 102 11.875 8.495 -2.664 1.00 0.37 H new ATOM 0 HB1 ALA A 102 14.080 9.468 -3.180 1.00 0.37 H new ATOM 0 HB2 ALA A 102 14.030 8.787 -1.536 1.00 0.37 H new ATOM 0 HB3 ALA A 102 14.847 7.898 -2.843 1.00 0.37 H new ATOM 1729 N GLU A 103 13.462 6.611 -4.871 1.00 0.34 N ATOM 1730 CA GLU A 103 13.491 6.218 -6.275 1.00 0.36 C ATOM 1731 C GLU A 103 12.162 5.608 -6.687 1.00 0.37 C ATOM 1732 O GLU A 103 11.591 5.964 -7.722 1.00 0.39 O ATOM 1733 CB GLU A 103 14.609 5.206 -6.507 1.00 0.39 C ATOM 1734 CG GLU A 103 15.964 5.718 -6.076 1.00 0.40 C ATOM 1735 CD GLU A 103 17.007 4.629 -6.028 1.00 0.43 C ATOM 1736 OE1 GLU A 103 17.632 4.350 -7.070 1.00 0.53 O ATOM 1737 OE2 GLU A 103 17.202 4.050 -4.941 1.00 0.46 O ATOM 0 H GLU A 103 14.128 6.113 -4.281 1.00 0.34 H new ATOM 0 HA GLU A 103 13.672 7.107 -6.878 1.00 0.36 H new ATOM 0 HB2 GLU A 103 14.382 4.290 -5.962 1.00 0.39 H new ATOM 0 HB3 GLU A 103 14.644 4.947 -7.565 1.00 0.39 H new ATOM 0 HG2 GLU A 103 16.290 6.498 -6.765 1.00 0.40 H new ATOM 0 HG3 GLU A 103 15.878 6.178 -5.091 1.00 0.40 H new ATOM 1744 N ILE A 104 11.675 4.695 -5.860 1.00 0.36 N ATOM 1745 CA ILE A 104 10.425 3.999 -6.135 1.00 0.37 C ATOM 1746 C ILE A 104 9.263 4.980 -6.280 1.00 0.36 C ATOM 1747 O ILE A 104 8.485 4.889 -7.224 1.00 0.38 O ATOM 1748 CB ILE A 104 10.095 2.963 -5.035 1.00 0.38 C ATOM 1749 CG1 ILE A 104 11.208 1.914 -4.931 1.00 0.41 C ATOM 1750 CG2 ILE A 104 8.759 2.289 -5.318 1.00 0.39 C ATOM 1751 CD1 ILE A 104 11.426 1.112 -6.197 1.00 0.45 C ATOM 0 H ILE A 104 12.128 4.417 -4.989 1.00 0.36 H new ATOM 0 HA ILE A 104 10.561 3.471 -7.079 1.00 0.37 H new ATOM 0 HB ILE A 104 10.024 3.488 -4.082 1.00 0.38 H new ATOM 0 HG12 ILE A 104 12.140 2.414 -4.666 1.00 0.41 H new ATOM 0 HG13 ILE A 104 10.971 1.229 -4.117 1.00 0.41 H new ATOM 0 HG21 ILE A 104 8.544 1.564 -4.533 1.00 0.39 H new ATOM 0 HG22 ILE A 104 7.970 3.041 -5.343 1.00 0.39 H new ATOM 0 HG23 ILE A 104 8.805 1.779 -6.280 1.00 0.39 H new ATOM 0 HD11 ILE A 104 12.230 0.393 -6.038 1.00 0.45 H new ATOM 0 HD12 ILE A 104 10.509 0.581 -6.454 1.00 0.45 H new ATOM 0 HD13 ILE A 104 11.696 1.784 -7.012 1.00 0.45 H new ATOM 1763 N TYR A 105 9.157 5.929 -5.360 1.00 0.36 N ATOM 1764 CA TYR A 105 8.070 6.899 -5.394 1.00 0.39 C ATOM 1765 C TYR A 105 8.153 7.783 -6.634 1.00 0.41 C ATOM 1766 O TYR A 105 7.154 8.000 -7.319 1.00 0.44 O ATOM 1767 CB TYR A 105 8.086 7.764 -4.134 1.00 0.42 C ATOM 1768 CG TYR A 105 6.954 8.766 -4.073 1.00 0.48 C ATOM 1769 CD1 TYR A 105 5.633 8.351 -4.154 1.00 1.45 C ATOM 1770 CD2 TYR A 105 7.207 10.125 -3.928 1.00 1.12 C ATOM 1771 CE1 TYR A 105 4.596 9.256 -4.097 1.00 1.56 C ATOM 1772 CE2 TYR A 105 6.172 11.039 -3.869 1.00 1.11 C ATOM 1773 CZ TYR A 105 4.868 10.600 -3.955 1.00 0.71 C ATOM 1774 OH TYR A 105 3.830 11.504 -3.894 1.00 0.86 O ATOM 0 H TYR A 105 9.808 6.048 -4.583 1.00 0.36 H new ATOM 0 HA TYR A 105 7.133 6.344 -5.434 1.00 0.39 H new ATOM 0 HB2 TYR A 105 8.035 7.117 -3.258 1.00 0.42 H new ATOM 0 HB3 TYR A 105 9.035 8.297 -4.081 1.00 0.42 H new ATOM 0 HD1 TYR A 105 5.413 7.299 -4.264 1.00 1.45 H new ATOM 0 HD2 TYR A 105 8.228 10.472 -3.860 1.00 1.12 H new ATOM 0 HE1 TYR A 105 3.574 8.914 -4.163 1.00 1.56 H new ATOM 0 HE2 TYR A 105 6.384 12.092 -3.756 1.00 1.11 H new ATOM 0 HH TYR A 105 2.977 11.029 -3.980 1.00 0.86 H new ATOM 1784 N ARG A 106 9.349 8.272 -6.928 1.00 0.44 N ATOM 1785 CA ARG A 106 9.552 9.188 -8.047 1.00 0.50 C ATOM 1786 C ARG A 106 9.212 8.531 -9.384 1.00 0.51 C ATOM 1787 O ARG A 106 8.863 9.215 -10.349 1.00 0.58 O ATOM 1788 CB ARG A 106 10.995 9.695 -8.062 1.00 0.56 C ATOM 1789 CG ARG A 106 11.359 10.514 -6.832 1.00 1.25 C ATOM 1790 CD ARG A 106 12.844 10.840 -6.781 1.00 1.75 C ATOM 1791 NE ARG A 106 13.223 11.421 -5.494 1.00 2.50 N ATOM 1792 CZ ARG A 106 14.476 11.679 -5.120 1.00 3.33 C ATOM 1793 NH1 ARG A 106 15.487 11.432 -5.944 1.00 3.62 N ATOM 1794 NH2 ARG A 106 14.720 12.182 -3.916 1.00 4.23 N ATOM 0 H ARG A 106 10.197 8.050 -6.407 1.00 0.44 H new ATOM 0 HA ARG A 106 8.876 10.032 -7.909 1.00 0.50 H new ATOM 0 HB2 ARG A 106 11.671 8.843 -8.136 1.00 0.56 H new ATOM 0 HB3 ARG A 106 11.150 10.303 -8.953 1.00 0.56 H new ATOM 0 HG2 ARG A 106 10.785 11.440 -6.831 1.00 1.25 H new ATOM 0 HG3 ARG A 106 11.078 9.964 -5.934 1.00 1.25 H new ATOM 0 HD2 ARG A 106 13.423 9.933 -6.956 1.00 1.75 H new ATOM 0 HD3 ARG A 106 13.092 11.536 -7.582 1.00 1.75 H new ATOM 0 HE ARG A 106 12.476 11.645 -4.836 1.00 2.50 H new ATOM 0 HH11 ARG A 106 15.307 11.043 -6.869 1.00 3.62 H new ATOM 0 HH12 ARG A 106 16.444 11.632 -5.652 1.00 3.62 H new ATOM 0 HH21 ARG A 106 13.948 12.371 -3.276 1.00 4.23 H new ATOM 0 HH22 ARG A 106 15.679 12.379 -3.630 1.00 4.23 H new ATOM 1808 N ASP A 107 9.309 7.208 -9.442 1.00 0.50 N ATOM 1809 CA ASP A 107 9.029 6.485 -10.676 1.00 0.55 C ATOM 1810 C ASP A 107 7.622 5.896 -10.671 1.00 0.51 C ATOM 1811 O ASP A 107 6.857 6.071 -11.620 1.00 0.62 O ATOM 1812 CB ASP A 107 10.048 5.365 -10.874 1.00 0.61 C ATOM 1813 CG ASP A 107 10.018 4.793 -12.278 1.00 0.96 C ATOM 1814 OD1 ASP A 107 9.179 3.915 -12.555 1.00 1.49 O ATOM 1815 OD2 ASP A 107 10.839 5.229 -13.118 1.00 1.77 O ATOM 0 H ASP A 107 9.578 6.618 -8.655 1.00 0.50 H new ATOM 0 HA ASP A 107 9.101 7.197 -11.498 1.00 0.55 H new ATOM 0 HB2 ASP A 107 11.047 5.746 -10.662 1.00 0.61 H new ATOM 0 HB3 ASP A 107 9.851 4.568 -10.156 1.00 0.61 H new ATOM 1820 N TYR A 108 7.276 5.211 -9.590 1.00 0.41 N ATOM 1821 CA TYR A 108 6.033 4.445 -9.527 1.00 0.39 C ATOM 1822 C TYR A 108 4.906 5.218 -8.840 1.00 0.38 C ATOM 1823 O TYR A 108 3.928 4.614 -8.393 1.00 0.40 O ATOM 1824 CB TYR A 108 6.262 3.120 -8.793 1.00 0.40 C ATOM 1825 CG TYR A 108 7.351 2.256 -9.397 1.00 0.45 C ATOM 1826 CD1 TYR A 108 8.683 2.463 -9.067 1.00 1.20 C ATOM 1827 CD2 TYR A 108 7.046 1.232 -10.285 1.00 1.32 C ATOM 1828 CE1 TYR A 108 9.682 1.680 -9.603 1.00 1.25 C ATOM 1829 CE2 TYR A 108 8.042 0.443 -10.827 1.00 1.36 C ATOM 1830 CZ TYR A 108 9.358 0.671 -10.482 1.00 0.63 C ATOM 1831 OH TYR A 108 10.352 -0.116 -11.014 1.00 0.75 O ATOM 0 H TYR A 108 7.839 5.168 -8.740 1.00 0.41 H new ATOM 0 HA TYR A 108 5.727 4.254 -10.556 1.00 0.39 H new ATOM 0 HB2 TYR A 108 6.516 3.332 -7.754 1.00 0.40 H new ATOM 0 HB3 TYR A 108 5.329 2.556 -8.784 1.00 0.40 H new ATOM 0 HD1 TYR A 108 8.941 3.253 -8.377 1.00 1.20 H new ATOM 0 HD2 TYR A 108 6.016 1.050 -10.555 1.00 1.32 H new ATOM 0 HE1 TYR A 108 10.713 1.857 -9.335 1.00 1.25 H new ATOM 0 HE2 TYR A 108 7.792 -0.349 -11.518 1.00 1.36 H new ATOM 0 HH TYR A 108 11.093 -0.183 -10.376 1.00 0.75 H new ATOM 1841 N LYS A 109 5.042 6.536 -8.737 1.00 0.42 N ATOM 1842 CA LYS A 109 3.964 7.370 -8.201 1.00 0.45 C ATOM 1843 C LYS A 109 2.714 7.222 -9.063 1.00 0.43 C ATOM 1844 O LYS A 109 2.764 7.429 -10.278 1.00 0.49 O ATOM 1845 CB LYS A 109 4.383 8.842 -8.156 1.00 0.55 C ATOM 1846 CG LYS A 109 3.340 9.752 -7.519 1.00 0.98 C ATOM 1847 CD LYS A 109 3.776 11.209 -7.522 1.00 0.95 C ATOM 1848 CE LYS A 109 3.848 11.774 -8.931 1.00 1.05 C ATOM 1849 NZ LYS A 109 4.159 13.228 -8.932 1.00 1.82 N ATOM 0 H LYS A 109 5.879 7.049 -9.014 1.00 0.42 H new ATOM 0 HA LYS A 109 3.750 7.038 -7.185 1.00 0.45 H new ATOM 0 HB2 LYS A 109 5.317 8.929 -7.601 1.00 0.55 H new ATOM 0 HB3 LYS A 109 4.582 9.186 -9.171 1.00 0.55 H new ATOM 0 HG2 LYS A 109 2.397 9.655 -8.057 1.00 0.98 H new ATOM 0 HG3 LYS A 109 3.156 9.431 -6.494 1.00 0.98 H new ATOM 0 HD2 LYS A 109 3.077 11.799 -6.929 1.00 0.95 H new ATOM 0 HD3 LYS A 109 4.752 11.297 -7.045 1.00 0.95 H new ATOM 0 HE2 LYS A 109 4.611 11.240 -9.498 1.00 1.05 H new ATOM 0 HE3 LYS A 109 2.898 11.606 -9.438 1.00 1.05 H new ATOM 0 HZ1 LYS A 109 4.199 13.574 -9.912 1.00 1.82 H new ATOM 0 HZ2 LYS A 109 3.418 13.742 -8.414 1.00 1.82 H new ATOM 0 HZ3 LYS A 109 5.078 13.387 -8.471 1.00 1.82 H new ATOM 1863 N ASP A 110 1.600 6.862 -8.440 1.00 0.39 N ATOM 1864 CA ASP A 110 0.360 6.661 -9.174 1.00 0.43 C ATOM 1865 C ASP A 110 -0.348 7.998 -9.400 1.00 0.50 C ATOM 1866 O ASP A 110 0.148 9.042 -8.967 1.00 0.51 O ATOM 1867 CB ASP A 110 -0.556 5.682 -8.429 1.00 0.48 C ATOM 1868 CG ASP A 110 -1.623 5.074 -9.322 1.00 0.60 C ATOM 1869 OD1 ASP A 110 -2.706 5.676 -9.463 1.00 1.20 O ATOM 1870 OD2 ASP A 110 -1.387 3.985 -9.882 1.00 1.35 O ATOM 0 H ASP A 110 1.530 6.704 -7.435 1.00 0.39 H new ATOM 0 HA ASP A 110 0.600 6.230 -10.146 1.00 0.43 H new ATOM 0 HB2 ASP A 110 0.048 4.884 -7.998 1.00 0.48 H new ATOM 0 HB3 ASP A 110 -1.036 6.201 -7.600 1.00 0.48 H new ATOM 1875 N GLU A 111 -1.501 7.971 -10.046 1.00 0.60 N ATOM 1876 CA GLU A 111 -2.197 9.191 -10.430 1.00 0.71 C ATOM 1877 C GLU A 111 -2.648 9.985 -9.208 1.00 0.65 C ATOM 1878 O GLU A 111 -2.568 11.215 -9.191 1.00 0.74 O ATOM 1879 CB GLU A 111 -3.404 8.856 -11.305 1.00 0.87 C ATOM 1880 CG GLU A 111 -3.051 8.039 -12.535 1.00 1.94 C ATOM 1881 CD GLU A 111 -4.261 7.730 -13.387 1.00 2.43 C ATOM 1882 OE1 GLU A 111 -5.125 6.949 -12.937 1.00 2.86 O ATOM 1883 OE2 GLU A 111 -4.366 8.281 -14.502 1.00 2.97 O ATOM 0 H GLU A 111 -1.979 7.112 -10.318 1.00 0.60 H new ATOM 0 HA GLU A 111 -1.499 9.808 -10.996 1.00 0.71 H new ATOM 0 HB2 GLU A 111 -4.133 8.306 -10.710 1.00 0.87 H new ATOM 0 HB3 GLU A 111 -3.884 9.783 -11.619 1.00 0.87 H new ATOM 0 HG2 GLU A 111 -2.319 8.583 -13.132 1.00 1.94 H new ATOM 0 HG3 GLU A 111 -2.580 7.106 -12.226 1.00 1.94 H new ATOM 1890 N ASP A 112 -3.089 9.280 -8.173 1.00 0.57 N ATOM 1891 CA ASP A 112 -3.598 9.940 -6.975 1.00 0.55 C ATOM 1892 C ASP A 112 -2.465 10.416 -6.073 1.00 0.52 C ATOM 1893 O ASP A 112 -2.685 11.201 -5.153 1.00 0.56 O ATOM 1894 CB ASP A 112 -4.555 9.024 -6.195 1.00 0.59 C ATOM 1895 CG ASP A 112 -3.991 7.645 -5.912 1.00 0.58 C ATOM 1896 OD1 ASP A 112 -2.819 7.540 -5.510 1.00 0.77 O ATOM 1897 OD2 ASP A 112 -4.738 6.652 -6.087 1.00 0.63 O ATOM 0 H ASP A 112 -3.105 8.261 -8.138 1.00 0.57 H new ATOM 0 HA ASP A 112 -4.157 10.816 -7.306 1.00 0.55 H new ATOM 0 HB2 ASP A 112 -4.810 9.502 -5.250 1.00 0.59 H new ATOM 0 HB3 ASP A 112 -5.482 8.918 -6.759 1.00 0.59 H new ATOM 1902 N GLY A 113 -1.250 9.963 -6.351 1.00 0.47 N ATOM 1903 CA GLY A 113 -0.099 10.456 -5.621 1.00 0.45 C ATOM 1904 C GLY A 113 0.490 9.441 -4.665 1.00 0.36 C ATOM 1905 O GLY A 113 1.608 9.621 -4.183 1.00 0.37 O ATOM 0 H GLY A 113 -1.041 9.266 -7.066 1.00 0.47 H new ATOM 0 HA2 GLY A 113 0.669 10.762 -6.332 1.00 0.45 H new ATOM 0 HA3 GLY A 113 -0.388 11.346 -5.061 1.00 0.45 H new ATOM 1909 N PHE A 114 -0.251 8.383 -4.378 1.00 0.39 N ATOM 1910 CA PHE A 114 0.239 7.344 -3.486 1.00 0.34 C ATOM 1911 C PHE A 114 1.065 6.325 -4.257 1.00 0.34 C ATOM 1912 O PHE A 114 0.911 6.174 -5.472 1.00 0.40 O ATOM 1913 CB PHE A 114 -0.920 6.631 -2.783 1.00 0.37 C ATOM 1914 CG PHE A 114 -1.603 7.453 -1.729 1.00 0.41 C ATOM 1915 CD1 PHE A 114 -1.090 7.515 -0.446 1.00 1.03 C ATOM 1916 CD2 PHE A 114 -2.764 8.149 -2.017 1.00 1.30 C ATOM 1917 CE1 PHE A 114 -1.720 8.256 0.533 1.00 1.03 C ATOM 1918 CE2 PHE A 114 -3.399 8.895 -1.043 1.00 1.35 C ATOM 1919 CZ PHE A 114 -2.876 8.949 0.233 1.00 0.54 C ATOM 0 H PHE A 114 -1.188 8.221 -4.747 1.00 0.39 H new ATOM 0 HA PHE A 114 0.866 7.823 -2.734 1.00 0.34 H new ATOM 0 HB2 PHE A 114 -1.656 6.336 -3.530 1.00 0.37 H new ATOM 0 HB3 PHE A 114 -0.544 5.715 -2.326 1.00 0.37 H new ATOM 0 HD1 PHE A 114 -0.185 6.977 -0.207 1.00 1.03 H new ATOM 0 HD2 PHE A 114 -3.178 8.109 -3.014 1.00 1.30 H new ATOM 0 HE1 PHE A 114 -1.310 8.294 1.531 1.00 1.03 H new ATOM 0 HE2 PHE A 114 -4.304 9.435 -1.280 1.00 1.35 H new ATOM 0 HZ PHE A 114 -3.370 9.532 0.996 1.00 0.54 H new ATOM 1929 N VAL A 115 1.960 5.645 -3.558 1.00 0.29 N ATOM 1930 CA VAL A 115 2.690 4.540 -4.154 1.00 0.30 C ATOM 1931 C VAL A 115 2.110 3.220 -3.661 1.00 0.27 C ATOM 1932 O VAL A 115 2.110 2.933 -2.465 1.00 0.31 O ATOM 1933 CB VAL A 115 4.211 4.618 -3.877 1.00 0.37 C ATOM 1934 CG1 VAL A 115 4.507 4.803 -2.400 1.00 0.89 C ATOM 1935 CG2 VAL A 115 4.928 3.392 -4.423 1.00 1.06 C ATOM 0 H VAL A 115 2.197 5.838 -2.585 1.00 0.29 H new ATOM 0 HA VAL A 115 2.572 4.605 -5.236 1.00 0.30 H new ATOM 0 HB VAL A 115 4.590 5.497 -4.398 1.00 0.37 H new ATOM 0 HG11 VAL A 115 5.585 4.853 -2.248 1.00 0.89 H new ATOM 0 HG12 VAL A 115 4.048 5.728 -2.050 1.00 0.89 H new ATOM 0 HG13 VAL A 115 4.100 3.961 -1.839 1.00 0.89 H new ATOM 0 HG21 VAL A 115 5.995 3.472 -4.215 1.00 1.06 H new ATOM 0 HG22 VAL A 115 4.531 2.496 -3.946 1.00 1.06 H new ATOM 0 HG23 VAL A 115 4.772 3.329 -5.500 1.00 1.06 H new ATOM 1945 N TYR A 116 1.585 2.438 -4.587 1.00 0.33 N ATOM 1946 CA TYR A 116 0.882 1.215 -4.236 1.00 0.34 C ATOM 1947 C TYR A 116 1.777 0.000 -4.389 1.00 0.38 C ATOM 1948 O TYR A 116 2.288 -0.287 -5.473 1.00 0.49 O ATOM 1949 CB TYR A 116 -0.386 1.068 -5.081 1.00 0.39 C ATOM 1950 CG TYR A 116 -1.419 2.125 -4.771 1.00 0.39 C ATOM 1951 CD1 TYR A 116 -1.315 3.400 -5.309 1.00 1.28 C ATOM 1952 CD2 TYR A 116 -2.483 1.856 -3.921 1.00 1.19 C ATOM 1953 CE1 TYR A 116 -2.243 4.376 -5.011 1.00 1.31 C ATOM 1954 CE2 TYR A 116 -3.413 2.829 -3.614 1.00 1.19 C ATOM 1955 CZ TYR A 116 -3.290 4.087 -4.161 1.00 0.48 C ATOM 1956 OH TYR A 116 -4.206 5.064 -3.847 1.00 0.54 O ATOM 0 H TYR A 116 1.632 2.627 -5.588 1.00 0.33 H new ATOM 0 HA TYR A 116 0.594 1.280 -3.187 1.00 0.34 H new ATOM 0 HB2 TYR A 116 -0.122 1.122 -6.137 1.00 0.39 H new ATOM 0 HB3 TYR A 116 -0.819 0.082 -4.911 1.00 0.39 H new ATOM 0 HD1 TYR A 116 -0.494 3.632 -5.972 1.00 1.28 H new ATOM 0 HD2 TYR A 116 -2.585 0.870 -3.493 1.00 1.19 H new ATOM 0 HE1 TYR A 116 -2.150 5.362 -5.441 1.00 1.31 H new ATOM 0 HE2 TYR A 116 -4.233 2.605 -2.948 1.00 1.19 H new ATOM 0 HH TYR A 116 -4.431 5.573 -4.654 1.00 0.54 H new ATOM 1966 N MET A 117 1.966 -0.701 -3.285 1.00 0.35 N ATOM 1967 CA MET A 117 2.776 -1.902 -3.264 1.00 0.39 C ATOM 1968 C MET A 117 1.919 -3.082 -2.839 1.00 0.34 C ATOM 1969 O MET A 117 1.190 -3.012 -1.852 1.00 0.45 O ATOM 1970 CB MET A 117 3.961 -1.734 -2.312 1.00 0.49 C ATOM 1971 CG MET A 117 4.858 -0.562 -2.666 1.00 0.65 C ATOM 1972 SD MET A 117 6.252 -0.383 -1.538 1.00 0.70 S ATOM 1973 CE MET A 117 7.049 1.064 -2.225 1.00 1.19 C ATOM 0 H MET A 117 1.563 -0.453 -2.381 1.00 0.35 H new ATOM 0 HA MET A 117 3.169 -2.085 -4.264 1.00 0.39 H new ATOM 0 HB2 MET A 117 3.586 -1.601 -1.297 1.00 0.49 H new ATOM 0 HB3 MET A 117 4.553 -2.649 -2.316 1.00 0.49 H new ATOM 0 HG2 MET A 117 5.233 -0.691 -3.681 1.00 0.65 H new ATOM 0 HG3 MET A 117 4.270 0.355 -2.657 1.00 0.65 H new ATOM 0 HE1 MET A 117 8.112 0.863 -2.362 1.00 1.19 H new ATOM 0 HE2 MET A 117 6.598 1.305 -3.188 1.00 1.19 H new ATOM 0 HE3 MET A 117 6.924 1.906 -1.544 1.00 1.19 H new ATOM 1983 N THR A 118 1.994 -4.152 -3.595 1.00 0.34 N ATOM 1984 CA THR A 118 1.166 -5.316 -3.360 1.00 0.33 C ATOM 1985 C THR A 118 2.050 -6.508 -2.990 1.00 0.33 C ATOM 1986 O THR A 118 3.044 -6.764 -3.655 1.00 0.37 O ATOM 1987 CB THR A 118 0.352 -5.612 -4.634 1.00 0.43 C ATOM 1988 OG1 THR A 118 -0.177 -4.379 -5.144 1.00 0.92 O ATOM 1989 CG2 THR A 118 -0.797 -6.564 -4.370 1.00 0.85 C ATOM 0 H THR A 118 2.628 -4.242 -4.389 1.00 0.34 H new ATOM 0 HA THR A 118 0.479 -5.131 -2.534 1.00 0.33 H new ATOM 0 HB THR A 118 1.020 -6.084 -5.355 1.00 0.43 H new ATOM 0 HG1 THR A 118 -0.696 -4.557 -5.956 1.00 0.92 H new ATOM 0 HG21 THR A 118 -1.342 -6.743 -5.297 1.00 0.85 H new ATOM 0 HG22 THR A 118 -0.407 -7.508 -3.990 1.00 0.85 H new ATOM 0 HG23 THR A 118 -1.470 -6.127 -3.632 1.00 0.85 H new ATOM 1997 N TYR A 119 1.699 -7.241 -1.943 1.00 0.35 N ATOM 1998 CA TYR A 119 2.577 -8.305 -1.466 1.00 0.41 C ATOM 1999 C TYR A 119 1.918 -9.673 -1.583 1.00 0.48 C ATOM 2000 O TYR A 119 0.717 -9.825 -1.337 1.00 0.49 O ATOM 2001 CB TYR A 119 3.049 -8.035 -0.020 1.00 0.42 C ATOM 2002 CG TYR A 119 1.956 -7.978 1.037 1.00 0.39 C ATOM 2003 CD1 TYR A 119 0.988 -6.983 1.019 1.00 1.09 C ATOM 2004 CD2 TYR A 119 1.905 -8.914 2.064 1.00 1.18 C ATOM 2005 CE1 TYR A 119 0.003 -6.922 1.987 1.00 1.15 C ATOM 2006 CE2 TYR A 119 0.918 -8.860 3.035 1.00 1.20 C ATOM 2007 CZ TYR A 119 -0.031 -7.861 2.990 1.00 0.56 C ATOM 2008 OH TYR A 119 -1.018 -7.802 3.950 1.00 0.70 O ATOM 0 H TYR A 119 0.833 -7.125 -1.416 1.00 0.35 H new ATOM 0 HA TYR A 119 3.457 -8.312 -2.109 1.00 0.41 H new ATOM 0 HB2 TYR A 119 3.759 -8.813 0.261 1.00 0.42 H new ATOM 0 HB3 TYR A 119 3.591 -7.089 -0.006 1.00 0.42 H new ATOM 0 HD1 TYR A 119 1.005 -6.242 0.233 1.00 1.09 H new ATOM 0 HD2 TYR A 119 2.648 -9.697 2.106 1.00 1.18 H new ATOM 0 HE1 TYR A 119 -0.739 -6.138 1.955 1.00 1.15 H new ATOM 0 HE2 TYR A 119 0.892 -9.597 3.824 1.00 1.20 H new ATOM 0 HH TYR A 119 -0.951 -8.584 4.536 1.00 0.70 H new ATOM 2018 N ALA A 120 2.720 -10.663 -1.967 1.00 0.57 N ATOM 2019 CA ALA A 120 2.225 -12.015 -2.192 1.00 0.71 C ATOM 2020 C ALA A 120 3.207 -13.040 -1.654 1.00 0.84 C ATOM 2021 O ALA A 120 4.371 -12.721 -1.408 1.00 0.86 O ATOM 2022 CB ALA A 120 1.995 -12.249 -3.674 1.00 0.79 C ATOM 0 H ALA A 120 3.721 -10.551 -2.129 1.00 0.57 H new ATOM 0 HA ALA A 120 1.279 -12.126 -1.662 1.00 0.71 H new ATOM 0 HB1 ALA A 120 1.625 -13.263 -3.829 1.00 0.79 H new ATOM 0 HB2 ALA A 120 1.261 -11.534 -4.046 1.00 0.79 H new ATOM 0 HB3 ALA A 120 2.933 -12.119 -4.213 1.00 0.79 H new ATOM 2028 N SER A 121 2.738 -14.266 -1.476 1.00 1.00 N ATOM 2029 CA SER A 121 3.574 -15.338 -0.968 1.00 1.16 C ATOM 2030 C SER A 121 4.680 -15.672 -1.969 1.00 0.69 C ATOM 2031 O SER A 121 4.418 -15.839 -3.163 1.00 1.07 O ATOM 2032 CB SER A 121 2.717 -16.568 -0.680 1.00 1.88 C ATOM 2033 OG SER A 121 1.772 -16.776 -1.714 1.00 2.69 O ATOM 0 H SER A 121 1.777 -14.542 -1.678 1.00 1.00 H new ATOM 0 HA SER A 121 4.045 -15.013 -0.040 1.00 1.16 H new ATOM 0 HB2 SER A 121 3.355 -17.446 -0.582 1.00 1.88 H new ATOM 0 HB3 SER A 121 2.200 -16.442 0.271 1.00 1.88 H new ATOM 0 HG SER A 121 1.225 -17.562 -1.504 1.00 2.69 H new ATOM 2039 N GLN A 122 5.910 -15.756 -1.485 1.00 1.13 N ATOM 2040 CA GLN A 122 7.058 -15.968 -2.353 1.00 1.61 C ATOM 2041 C GLN A 122 7.423 -17.444 -2.423 1.00 2.23 C ATOM 2042 O GLN A 122 7.347 -18.163 -1.424 1.00 2.63 O ATOM 2043 CB GLN A 122 8.258 -15.156 -1.854 1.00 2.34 C ATOM 2044 CG GLN A 122 9.463 -15.212 -2.780 1.00 2.78 C ATOM 2045 CD GLN A 122 10.650 -14.425 -2.259 1.00 3.64 C ATOM 2046 OE1 GLN A 122 10.382 -13.356 -1.525 1.00 4.18 O flip ATOM 2047 NE2 GLN A 122 11.800 -14.774 -2.522 1.00 4.22 N flip ATOM 0 H GLN A 122 6.139 -15.680 -0.494 1.00 1.13 H new ATOM 0 HA GLN A 122 6.791 -15.632 -3.355 1.00 1.61 H new ATOM 0 HB2 GLN A 122 7.955 -14.116 -1.729 1.00 2.34 H new ATOM 0 HB3 GLN A 122 8.550 -15.523 -0.870 1.00 2.34 H new ATOM 0 HG2 GLN A 122 9.758 -16.252 -2.921 1.00 2.78 H new ATOM 0 HG3 GLN A 122 9.180 -14.826 -3.759 1.00 2.78 H new ATOM 0 HE21 GLN A 122 11.963 -15.604 -3.091 1.00 4.22 H new ATOM 0 HE22 GLN A 122 12.590 -14.233 -2.171 1.00 4.22 H new ATOM 2056 N GLU A 123 7.821 -17.882 -3.604 1.00 2.65 N ATOM 2057 CA GLU A 123 8.251 -19.251 -3.823 1.00 3.47 C ATOM 2058 C GLU A 123 9.379 -19.263 -4.849 1.00 4.01 C ATOM 2059 O GLU A 123 9.480 -18.361 -5.680 1.00 4.36 O ATOM 2060 CB GLU A 123 7.069 -20.106 -4.300 1.00 3.93 C ATOM 2061 CG GLU A 123 7.409 -21.573 -4.515 1.00 4.58 C ATOM 2062 CD GLU A 123 7.917 -22.251 -3.260 1.00 5.36 C ATOM 2063 OE1 GLU A 123 7.091 -22.775 -2.482 1.00 5.57 O ATOM 2064 OE2 GLU A 123 9.149 -22.272 -3.051 1.00 6.07 O ATOM 0 H GLU A 123 7.855 -17.298 -4.439 1.00 2.65 H new ATOM 0 HA GLU A 123 8.618 -19.675 -2.888 1.00 3.47 H new ATOM 0 HB2 GLU A 123 6.264 -20.034 -3.568 1.00 3.93 H new ATOM 0 HB3 GLU A 123 6.689 -19.692 -5.234 1.00 3.93 H new ATOM 0 HG2 GLU A 123 6.523 -22.098 -4.872 1.00 4.58 H new ATOM 0 HG3 GLU A 123 8.164 -21.655 -5.297 1.00 4.58 H new ATOM 2071 N THR A 124 10.247 -20.255 -4.768 1.00 4.46 N ATOM 2072 CA THR A 124 11.351 -20.377 -5.707 1.00 5.15 C ATOM 2073 C THR A 124 11.698 -21.845 -5.920 1.00 5.52 C ATOM 2074 O THR A 124 12.606 -22.383 -5.286 1.00 6.17 O ATOM 2075 CB THR A 124 12.600 -19.617 -5.214 1.00 5.88 C ATOM 2076 OG1 THR A 124 12.242 -18.284 -4.820 1.00 5.92 O ATOM 2077 CG2 THR A 124 13.665 -19.548 -6.299 1.00 6.51 C ATOM 0 H THR A 124 10.210 -20.990 -4.061 1.00 4.46 H new ATOM 0 HA THR A 124 11.033 -19.934 -6.651 1.00 5.15 H new ATOM 0 HB THR A 124 13.005 -20.160 -4.360 1.00 5.88 H new ATOM 0 HG1 THR A 124 13.041 -17.810 -4.507 1.00 5.92 H new ATOM 0 HG21 THR A 124 14.533 -19.007 -5.923 1.00 6.51 H new ATOM 0 HG22 THR A 124 13.962 -20.558 -6.582 1.00 6.51 H new ATOM 0 HG23 THR A 124 13.264 -19.030 -7.170 1.00 6.51 H new ATOM 2085 N PHE A 125 10.953 -22.490 -6.801 1.00 5.46 N ATOM 2086 CA PHE A 125 11.162 -23.899 -7.091 1.00 6.16 C ATOM 2087 C PHE A 125 12.006 -24.076 -8.344 1.00 6.88 C ATOM 2088 O PHE A 125 12.262 -23.117 -9.073 1.00 7.17 O ATOM 2089 CB PHE A 125 9.824 -24.628 -7.253 1.00 6.69 C ATOM 2090 CG PHE A 125 8.920 -24.033 -8.299 1.00 7.02 C ATOM 2091 CD1 PHE A 125 8.025 -23.030 -7.967 1.00 7.48 C ATOM 2092 CD2 PHE A 125 8.964 -24.480 -9.610 1.00 7.20 C ATOM 2093 CE1 PHE A 125 7.191 -22.483 -8.922 1.00 8.12 C ATOM 2094 CE2 PHE A 125 8.133 -23.937 -10.569 1.00 7.81 C ATOM 2095 CZ PHE A 125 7.245 -22.936 -10.224 1.00 8.27 C ATOM 0 H PHE A 125 10.195 -22.059 -7.330 1.00 5.46 H new ATOM 0 HA PHE A 125 11.696 -24.335 -6.247 1.00 6.16 H new ATOM 0 HB2 PHE A 125 10.019 -25.670 -7.507 1.00 6.69 H new ATOM 0 HB3 PHE A 125 9.304 -24.626 -6.295 1.00 6.69 H new ATOM 0 HD1 PHE A 125 7.979 -22.671 -6.949 1.00 7.48 H new ATOM 0 HD2 PHE A 125 9.656 -25.262 -9.884 1.00 7.20 H new ATOM 0 HE1 PHE A 125 6.497 -21.701 -8.650 1.00 8.12 H new ATOM 0 HE2 PHE A 125 8.177 -24.294 -11.587 1.00 7.81 H new ATOM 0 HZ PHE A 125 6.594 -22.509 -10.973 1.00 8.27 H new ATOM 2105 N GLY A 126 12.427 -25.305 -8.589 1.00 7.47 N ATOM 2106 CA GLY A 126 13.248 -25.592 -9.744 1.00 8.43 C ATOM 2107 C GLY A 126 14.654 -25.983 -9.349 1.00 9.49 C ATOM 2108 O GLY A 126 15.500 -25.081 -9.170 1.00 9.97 O ATOM 2109 OXT GLY A 126 14.918 -27.193 -9.192 1.00 10.03 O ATOM 0 H GLY A 126 12.213 -26.114 -8.005 1.00 7.47 H new ATOM 0 HA2 GLY A 126 12.795 -26.398 -10.321 1.00 8.43 H new ATOM 0 HA3 GLY A 126 13.283 -24.716 -10.392 1.00 8.43 H new TER 2113 GLY A 126