USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 705 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 61 GLN : amide:sc= -1.5! X(o=-1.2!,f=-1.6) USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0.29 K(o=-1.2,f=-9.2!) USER MOD Set 2.1: A 44 THR OG1 : rot -108:sc= 0.848 USER MOD Set 2.2: B 149 LYS NZ :NH3+ 167:sc= 0.908 (180deg=0.481) USER MOD Single : A 1 MET CE :methyl -162:sc= -1.13 (180deg=-2.08!) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.571 (180deg=0.324) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 THR OG1 : rot 140:sc= 0.834 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -179:sc= 1.23 USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 1.41 (180deg=1.38) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 58:sc= 1.3 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.572 K(o=0.57,f=0) USER MOD Single : A 33 TYR OH : rot 171:sc= 0.961 USER MOD Single : A 34 GLN : amide:sc= -0.385 X(o=-0.39,f=0) USER MOD Single : A 35 TYR OH : rot -146:sc= 1.02 USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= 2.43 (180deg=2.2) USER MOD Single : A 49 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.23) USER MOD Single : A 50 GLN : amide:sc= 0.7 K(o=0.7,f=-0.00023) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 165:sc= 1.24 USER MOD Single : A 66 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.64) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.19) USER MOD Single : A 82 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : B 145 SER OG : rot 180:sc= -0.24 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.738 -15.380 -2.379 1.00 1.00 N ATOM 2 CA MET A 1 13.827 -14.734 -1.411 1.00 1.00 C ATOM 3 C MET A 1 14.586 -13.675 -0.595 1.00 1.00 C ATOM 4 O MET A 1 14.882 -13.858 0.586 1.00 1.00 O ATOM 5 CB MET A 1 13.075 -15.804 -0.586 1.00 1.00 C ATOM 6 CG MET A 1 12.035 -15.299 0.430 1.00 1.00 C ATOM 7 SD MET A 1 10.337 -15.015 -0.152 1.00 1.00 S ATOM 8 CE MET A 1 10.576 -13.800 -1.471 1.00 1.00 C ATOM 0 H1 MET A 1 14.413 -15.182 -3.347 1.00 1.00 H new ATOM 0 H2 MET A 1 15.700 -15.006 -2.253 1.00 1.00 H new ATOM 0 H3 MET A 1 14.742 -16.408 -2.219 1.00 1.00 H new ATOM 0 HA MET A 1 13.042 -14.180 -1.926 1.00 1.00 H new ATOM 0 HB2 MET A 1 12.571 -16.476 -1.281 1.00 1.00 H new ATOM 0 HB3 MET A 1 13.814 -16.398 -0.048 1.00 1.00 H new ATOM 0 HG2 MET A 1 11.991 -16.018 1.248 1.00 1.00 H new ATOM 0 HG3 MET A 1 12.405 -14.363 0.848 1.00 1.00 H new ATOM 0 HE1 MET A 1 9.628 -13.308 -1.689 1.00 1.00 H new ATOM 0 HE2 MET A 1 11.306 -13.056 -1.152 1.00 1.00 H new ATOM 0 HE3 MET A 1 10.939 -14.303 -2.368 1.00 1.00 H new ATOM 20 N GLN A 2 14.911 -12.552 -1.254 1.00 1.00 N ATOM 21 CA GLN A 2 15.495 -11.312 -0.699 1.00 1.00 C ATOM 22 C GLN A 2 14.497 -10.140 -0.773 1.00 1.00 C ATOM 23 O GLN A 2 14.099 -9.750 -1.862 1.00 1.00 O ATOM 24 CB GLN A 2 16.766 -10.888 -1.467 1.00 1.00 C ATOM 25 CG GLN A 2 18.052 -11.686 -1.181 1.00 1.00 C ATOM 26 CD GLN A 2 19.264 -10.757 -1.253 1.00 1.00 C ATOM 27 OE1 GLN A 2 19.878 -10.541 -2.290 1.00 1.00 O ATOM 28 NE2 GLN A 2 19.588 -10.075 -0.181 1.00 1.00 N ATOM 0 H GLN A 2 14.764 -12.477 -2.261 1.00 1.00 H new ATOM 0 HA GLN A 2 15.743 -11.534 0.339 1.00 1.00 H new ATOM 0 HB2 GLN A 2 16.556 -10.955 -2.534 1.00 1.00 H new ATOM 0 HB3 GLN A 2 16.962 -9.839 -1.246 1.00 1.00 H new ATOM 0 HG2 GLN A 2 17.993 -12.147 -0.195 1.00 1.00 H new ATOM 0 HG3 GLN A 2 18.158 -12.494 -1.905 1.00 1.00 H new ATOM 0 HE21 GLN A 2 19.092 -10.236 0.695 1.00 1.00 H new ATOM 0 HE22 GLN A 2 20.336 -9.383 -0.223 1.00 1.00 H new ATOM 37 N THR A 3 14.134 -9.521 0.350 1.00 1.00 N ATOM 38 CA THR A 3 13.193 -8.375 0.420 1.00 1.00 C ATOM 39 C THR A 3 13.934 -7.129 0.912 1.00 1.00 C ATOM 40 O THR A 3 14.395 -7.077 2.054 1.00 1.00 O ATOM 41 CB THR A 3 11.953 -8.701 1.266 1.00 1.00 C ATOM 42 OG1 THR A 3 11.271 -9.772 0.659 1.00 1.00 O ATOM 43 CG2 THR A 3 10.926 -7.573 1.311 1.00 1.00 C ATOM 0 H THR A 3 14.488 -9.800 1.265 1.00 1.00 H new ATOM 0 HA THR A 3 12.816 -8.168 -0.582 1.00 1.00 H new ATOM 0 HB THR A 3 12.323 -8.902 2.271 1.00 1.00 H new ATOM 0 HG1 THR A 3 10.946 -10.387 1.350 1.00 1.00 H new ATOM 0 HG21 THR A 3 10.079 -7.876 1.927 1.00 1.00 H new ATOM 0 HG22 THR A 3 11.384 -6.681 1.738 1.00 1.00 H new ATOM 0 HG23 THR A 3 10.580 -7.355 0.300 1.00 1.00 H new ATOM 51 N VAL A 4 14.048 -6.117 0.047 1.00 1.00 N ATOM 52 CA VAL A 4 14.859 -4.891 0.224 1.00 1.00 C ATOM 53 C VAL A 4 13.935 -3.681 0.424 1.00 1.00 C ATOM 54 O VAL A 4 13.064 -3.401 -0.401 1.00 1.00 O ATOM 55 CB VAL A 4 15.840 -4.675 -0.960 1.00 1.00 C ATOM 56 CG1 VAL A 4 16.767 -3.478 -0.681 1.00 1.00 C ATOM 57 CG2 VAL A 4 16.711 -5.920 -1.253 1.00 1.00 C ATOM 0 H VAL A 4 13.554 -6.123 -0.845 1.00 1.00 H new ATOM 0 HA VAL A 4 15.474 -5.009 1.117 1.00 1.00 H new ATOM 0 HB VAL A 4 15.221 -4.482 -1.836 1.00 1.00 H new ATOM 0 HG11 VAL A 4 17.448 -3.341 -1.521 1.00 1.00 H new ATOM 0 HG12 VAL A 4 16.168 -2.577 -0.549 1.00 1.00 H new ATOM 0 HG13 VAL A 4 17.343 -3.667 0.225 1.00 1.00 H new ATOM 0 HG21 VAL A 4 17.377 -5.710 -2.090 1.00 1.00 H new ATOM 0 HG22 VAL A 4 17.303 -6.165 -0.371 1.00 1.00 H new ATOM 0 HG23 VAL A 4 16.068 -6.763 -1.504 1.00 1.00 H new ATOM 67 N ILE A 5 14.105 -2.984 1.552 1.00 1.00 N ATOM 68 CA ILE A 5 13.248 -1.899 2.066 1.00 1.00 C ATOM 69 C ILE A 5 13.919 -0.521 1.966 1.00 1.00 C ATOM 70 O ILE A 5 14.975 -0.298 2.558 1.00 1.00 O ATOM 71 CB ILE A 5 12.828 -2.199 3.532 1.00 1.00 C ATOM 72 CG1 ILE A 5 12.266 -3.637 3.777 1.00 1.00 C ATOM 73 CG2 ILE A 5 11.808 -1.148 4.022 1.00 1.00 C ATOM 74 CD1 ILE A 5 13.191 -4.500 4.647 1.00 1.00 C ATOM 0 H ILE A 5 14.893 -3.170 2.173 1.00 1.00 H new ATOM 0 HA ILE A 5 12.359 -1.862 1.436 1.00 1.00 H new ATOM 0 HB ILE A 5 13.751 -2.142 4.109 1.00 1.00 H new ATOM 0 HG12 ILE A 5 11.290 -3.563 4.256 1.00 1.00 H new ATOM 0 HG13 ILE A 5 12.114 -4.130 2.817 1.00 1.00 H new ATOM 0 HG21 ILE A 5 11.522 -1.370 5.050 1.00 1.00 H new ATOM 0 HG22 ILE A 5 12.257 -0.156 3.976 1.00 1.00 H new ATOM 0 HG23 ILE A 5 10.923 -1.175 3.386 1.00 1.00 H new ATOM 0 HD11 ILE A 5 12.748 -5.487 4.782 1.00 1.00 H new ATOM 0 HD12 ILE A 5 14.160 -4.601 4.158 1.00 1.00 H new ATOM 0 HD13 ILE A 5 13.323 -4.025 5.619 1.00 1.00 H new ATOM 86 N PHE A 6 13.265 0.421 1.282 1.00 1.00 N ATOM 87 CA PHE A 6 13.742 1.786 1.022 1.00 1.00 C ATOM 88 C PHE A 6 12.989 2.834 1.880 1.00 1.00 C ATOM 89 O PHE A 6 11.811 3.134 1.650 1.00 1.00 O ATOM 90 CB PHE A 6 13.704 2.048 -0.497 1.00 1.00 C ATOM 91 CG PHE A 6 14.665 1.175 -1.300 1.00 1.00 C ATOM 92 CD1 PHE A 6 16.021 1.549 -1.458 1.00 1.00 C ATOM 93 CD2 PHE A 6 14.220 -0.049 -1.849 1.00 1.00 C ATOM 94 CE1 PHE A 6 16.918 0.710 -2.153 1.00 1.00 C ATOM 95 CE2 PHE A 6 15.114 -0.877 -2.563 1.00 1.00 C ATOM 96 CZ PHE A 6 16.462 -0.497 -2.717 1.00 1.00 C ATOM 0 H PHE A 6 12.346 0.247 0.875 1.00 1.00 H new ATOM 0 HA PHE A 6 14.780 1.889 1.338 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.689 1.882 -0.859 1.00 1.00 H new ATOM 0 HB3 PHE A 6 13.941 3.096 -0.681 1.00 1.00 H new ATOM 0 HD1 PHE A 6 16.372 2.483 -1.044 1.00 1.00 H new ATOM 0 HD2 PHE A 6 13.191 -0.353 -1.722 1.00 1.00 H new ATOM 0 HE1 PHE A 6 17.955 0.994 -2.252 1.00 1.00 H new ATOM 0 HE2 PHE A 6 14.763 -1.804 -2.992 1.00 1.00 H new ATOM 0 HZ PHE A 6 17.144 -1.130 -3.266 1.00 1.00 H new ATOM 106 N GLY A 7 13.670 3.386 2.899 1.00 1.00 N ATOM 107 CA GLY A 7 13.209 4.480 3.775 1.00 1.00 C ATOM 108 C GLY A 7 12.312 4.127 4.967 1.00 1.00 C ATOM 109 O GLY A 7 11.214 4.673 5.056 1.00 1.00 O ATOM 0 H GLY A 7 14.606 3.065 3.148 1.00 1.00 H new ATOM 0 HA2 GLY A 7 14.091 4.990 4.162 1.00 1.00 H new ATOM 0 HA3 GLY A 7 12.672 5.198 3.156 1.00 1.00 H new ATOM 113 N ARG A 8 12.762 3.264 5.898 1.00 1.00 N ATOM 114 CA ARG A 8 12.106 2.937 7.196 1.00 1.00 C ATOM 115 C ARG A 8 11.820 4.219 7.999 1.00 1.00 C ATOM 116 O ARG A 8 10.677 4.476 8.363 1.00 1.00 O ATOM 117 CB ARG A 8 13.001 1.958 8.001 1.00 1.00 C ATOM 118 CG ARG A 8 12.478 1.580 9.396 1.00 1.00 C ATOM 119 CD ARG A 8 13.538 0.870 10.249 1.00 1.00 C ATOM 120 NE ARG A 8 13.036 0.636 11.619 1.00 1.00 N ATOM 121 CZ ARG A 8 13.228 -0.364 12.443 1.00 1.00 C ATOM 122 NH1 ARG A 8 14.042 -1.336 12.239 1.00 1.00 N ATOM 123 NH2 ARG A 8 12.571 -0.422 13.535 1.00 1.00 N ATOM 0 H ARG A 8 13.632 2.748 5.768 1.00 1.00 H new ATOM 0 HA ARG A 8 11.149 2.452 7.001 1.00 1.00 H new ATOM 0 HB2 ARG A 8 13.126 1.045 7.419 1.00 1.00 H new ATOM 0 HB3 ARG A 8 13.990 2.404 8.111 1.00 1.00 H new ATOM 0 HG2 ARG A 8 12.145 2.481 9.912 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.608 0.932 9.291 1.00 1.00 H new ATOM 0 HD2 ARG A 8 13.806 -0.080 9.788 1.00 1.00 H new ATOM 0 HD3 ARG A 8 14.445 1.473 10.287 1.00 1.00 H new ATOM 0 HE ARG A 8 12.439 1.378 11.985 1.00 1.00 H new ATOM 0 HH11 ARG A 8 14.597 -1.366 11.384 1.00 1.00 H new ATOM 0 HH12 ARG A 8 14.134 -2.078 12.932 1.00 1.00 H new ATOM 0 HH21 ARG A 8 11.898 0.309 13.765 1.00 1.00 H new ATOM 0 HH22 ARG A 8 12.719 -1.200 14.178 1.00 1.00 H new ATOM 137 N SER A 9 12.870 5.008 8.251 1.00 1.00 N ATOM 138 CA SER A 9 12.870 6.331 8.901 1.00 1.00 C ATOM 139 C SER A 9 12.160 7.424 8.074 1.00 1.00 C ATOM 140 O SER A 9 12.505 7.657 6.915 1.00 1.00 O ATOM 141 CB SER A 9 14.316 6.746 9.180 1.00 1.00 C ATOM 142 OG SER A 9 14.358 7.894 10.001 1.00 1.00 O ATOM 0 H SER A 9 13.813 4.721 7.988 1.00 1.00 H new ATOM 0 HA SER A 9 12.304 6.236 9.828 1.00 1.00 H new ATOM 0 HB2 SER A 9 14.847 5.927 9.665 1.00 1.00 H new ATOM 0 HB3 SER A 9 14.830 6.947 8.240 1.00 1.00 H new ATOM 0 HG SER A 9 15.291 8.142 10.169 1.00 1.00 H new ATOM 148 N GLY A 10 11.155 8.073 8.674 1.00 1.00 N ATOM 149 CA GLY A 10 10.262 9.099 8.106 1.00 1.00 C ATOM 150 C GLY A 10 8.794 8.840 8.483 1.00 1.00 C ATOM 151 O GLY A 10 8.352 9.232 9.565 1.00 1.00 O ATOM 0 H GLY A 10 10.924 7.881 9.649 1.00 1.00 H new ATOM 0 HA2 GLY A 10 10.563 10.083 8.465 1.00 1.00 H new ATOM 0 HA3 GLY A 10 10.363 9.111 7.021 1.00 1.00 H new ATOM 155 N CYS A 11 8.062 8.136 7.618 1.00 1.00 N ATOM 156 CA CYS A 11 6.679 7.637 7.754 1.00 1.00 C ATOM 157 C CYS A 11 6.492 6.310 8.552 1.00 1.00 C ATOM 158 O CYS A 11 7.401 5.474 8.572 1.00 1.00 O ATOM 159 CB CYS A 11 6.122 7.481 6.331 1.00 1.00 C ATOM 160 SG CYS A 11 7.166 6.485 5.220 1.00 1.00 S ATOM 0 H CYS A 11 8.455 7.872 6.714 1.00 1.00 H new ATOM 0 HA CYS A 11 6.139 8.367 8.357 1.00 1.00 H new ATOM 0 HB2 CYS A 11 5.134 7.024 6.389 1.00 1.00 H new ATOM 0 HB3 CYS A 11 5.990 8.471 5.895 1.00 1.00 H new ATOM 165 N PRO A 12 5.307 6.061 9.167 1.00 1.00 N ATOM 166 CA PRO A 12 5.044 4.867 9.992 1.00 1.00 C ATOM 167 C PRO A 12 4.775 3.561 9.211 1.00 1.00 C ATOM 168 O PRO A 12 5.295 2.521 9.623 1.00 1.00 O ATOM 169 CB PRO A 12 3.860 5.244 10.890 1.00 1.00 C ATOM 170 CG PRO A 12 3.073 6.230 10.030 1.00 1.00 C ATOM 171 CD PRO A 12 4.174 6.984 9.279 1.00 1.00 C ATOM 0 HA PRO A 12 5.945 4.620 10.554 1.00 1.00 H new ATOM 0 HB2 PRO A 12 3.261 4.372 11.154 1.00 1.00 H new ATOM 0 HB3 PRO A 12 4.191 5.698 11.824 1.00 1.00 H new ATOM 0 HG2 PRO A 12 2.395 5.718 9.346 1.00 1.00 H new ATOM 0 HG3 PRO A 12 2.466 6.901 10.638 1.00 1.00 H new ATOM 0 HD2 PRO A 12 3.828 7.295 8.293 1.00 1.00 H new ATOM 0 HD3 PRO A 12 4.461 7.888 9.816 1.00 1.00 H new ATOM 179 N TYR A 13 4.031 3.557 8.082 1.00 1.00 N ATOM 180 CA TYR A 13 3.783 2.300 7.324 1.00 1.00 C ATOM 181 C TYR A 13 5.089 1.690 6.793 1.00 1.00 C ATOM 182 O TYR A 13 5.225 0.476 6.781 1.00 1.00 O ATOM 183 CB TYR A 13 2.820 2.436 6.141 1.00 1.00 C ATOM 184 CG TYR A 13 1.412 2.963 6.332 1.00 1.00 C ATOM 185 CD1 TYR A 13 0.856 3.277 7.598 1.00 1.00 C ATOM 186 CD2 TYR A 13 0.638 3.127 5.164 1.00 1.00 C ATOM 187 CE1 TYR A 13 -0.480 3.731 7.680 1.00 1.00 C ATOM 188 CE2 TYR A 13 -0.685 3.597 5.239 1.00 1.00 C ATOM 189 CZ TYR A 13 -1.250 3.872 6.502 1.00 1.00 C ATOM 190 OH TYR A 13 -2.535 4.269 6.572 1.00 1.00 O ATOM 0 H TYR A 13 3.598 4.388 7.679 1.00 1.00 H new ATOM 0 HA TYR A 13 3.313 1.650 8.062 1.00 1.00 H new ATOM 0 HB2 TYR A 13 3.305 3.081 5.408 1.00 1.00 H new ATOM 0 HB3 TYR A 13 2.732 1.449 5.687 1.00 1.00 H new ATOM 0 HD1 TYR A 13 1.450 3.170 8.494 1.00 1.00 H new ATOM 0 HD2 TYR A 13 1.066 2.889 4.202 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -0.912 3.970 8.641 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -1.263 3.746 4.339 1.00 1.00 H new ATOM 0 HH TYR A 13 -2.913 4.314 5.669 1.00 1.00 H new ATOM 200 N SER A 14 6.042 2.519 6.339 1.00 1.00 N ATOM 201 CA SER A 14 7.408 2.103 5.951 1.00 1.00 C ATOM 202 C SER A 14 8.121 1.293 7.047 1.00 1.00 C ATOM 203 O SER A 14 8.696 0.245 6.745 1.00 1.00 O ATOM 204 CB SER A 14 8.245 3.320 5.576 1.00 1.00 C ATOM 205 OG SER A 14 9.351 2.917 4.807 1.00 1.00 O ATOM 0 H SER A 14 5.885 3.521 6.227 1.00 1.00 H new ATOM 0 HA SER A 14 7.302 1.447 5.087 1.00 1.00 H new ATOM 0 HB2 SER A 14 7.639 4.031 5.014 1.00 1.00 H new ATOM 0 HB3 SER A 14 8.584 3.832 6.477 1.00 1.00 H new ATOM 0 HG SER A 14 9.891 3.701 4.575 1.00 1.00 H new ATOM 211 N VAL A 15 8.050 1.738 8.321 1.00 1.00 N ATOM 212 CA VAL A 15 8.544 0.945 9.474 1.00 1.00 C ATOM 213 C VAL A 15 7.782 -0.368 9.597 1.00 1.00 C ATOM 214 O VAL A 15 8.416 -1.418 9.572 1.00 1.00 O ATOM 215 CB VAL A 15 8.418 1.648 10.849 1.00 1.00 C ATOM 216 CG1 VAL A 15 9.015 0.752 11.954 1.00 1.00 C ATOM 217 CG2 VAL A 15 9.080 3.026 10.860 1.00 1.00 C ATOM 0 H VAL A 15 7.655 2.642 8.579 1.00 1.00 H new ATOM 0 HA VAL A 15 9.601 0.799 9.253 1.00 1.00 H new ATOM 0 HB VAL A 15 7.357 1.805 11.042 1.00 1.00 H new ATOM 0 HG11 VAL A 15 8.923 1.253 12.918 1.00 1.00 H new ATOM 0 HG12 VAL A 15 8.477 -0.195 11.984 1.00 1.00 H new ATOM 0 HG13 VAL A 15 10.068 0.565 11.742 1.00 1.00 H new ATOM 0 HG21 VAL A 15 8.964 3.477 11.845 1.00 1.00 H new ATOM 0 HG22 VAL A 15 10.141 2.922 10.631 1.00 1.00 H new ATOM 0 HG23 VAL A 15 8.608 3.663 10.112 1.00 1.00 H new ATOM 227 N ARG A 16 6.440 -0.321 9.623 1.00 1.00 N ATOM 228 CA ARG A 16 5.550 -1.494 9.744 1.00 1.00 C ATOM 229 C ARG A 16 5.813 -2.518 8.614 1.00 1.00 C ATOM 230 O ARG A 16 5.960 -3.697 8.888 1.00 1.00 O ATOM 231 CB ARG A 16 4.080 -1.027 9.861 1.00 1.00 C ATOM 232 CG ARG A 16 3.746 -0.206 11.131 1.00 1.00 C ATOM 233 CD ARG A 16 2.398 0.546 11.084 1.00 1.00 C ATOM 234 NE ARG A 16 1.191 -0.320 11.057 1.00 1.00 N ATOM 235 CZ ARG A 16 -0.009 0.016 10.625 1.00 1.00 C ATOM 236 NH1 ARG A 16 -0.352 1.211 10.295 1.00 1.00 N ATOM 237 NH2 ARG A 16 -0.947 -0.852 10.542 1.00 1.00 N ATOM 0 H ARG A 16 5.927 0.558 9.559 1.00 1.00 H new ATOM 0 HA ARG A 16 5.772 -2.036 10.663 1.00 1.00 H new ATOM 0 HB2 ARG A 16 3.836 -0.426 8.985 1.00 1.00 H new ATOM 0 HB3 ARG A 16 3.434 -1.905 9.835 1.00 1.00 H new ATOM 0 HG2 ARG A 16 3.741 -0.878 11.989 1.00 1.00 H new ATOM 0 HG3 ARG A 16 4.544 0.518 11.298 1.00 1.00 H new ATOM 0 HD2 ARG A 16 2.336 1.202 11.952 1.00 1.00 H new ATOM 0 HD3 ARG A 16 2.387 1.185 10.201 1.00 1.00 H new ATOM 0 HE ARG A 16 1.302 -1.271 11.408 1.00 1.00 H new ATOM 0 HH11 ARG A 16 0.324 1.972 10.360 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -1.300 1.398 9.968 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -0.772 -1.820 10.812 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -1.869 -0.575 10.206 1.00 1.00 H new ATOM 251 N ALA A 17 6.024 -2.062 7.374 1.00 1.00 N ATOM 252 CA ALA A 17 6.446 -2.812 6.184 1.00 1.00 C ATOM 253 C ALA A 17 7.837 -3.483 6.336 1.00 1.00 C ATOM 254 O ALA A 17 7.985 -4.662 5.992 1.00 1.00 O ATOM 255 CB ALA A 17 6.443 -1.852 4.975 1.00 1.00 C ATOM 0 H ALA A 17 5.893 -1.074 7.158 1.00 1.00 H new ATOM 0 HA ALA A 17 5.738 -3.628 6.038 1.00 1.00 H new ATOM 0 HB1 ALA A 17 6.754 -2.392 4.081 1.00 1.00 H new ATOM 0 HB2 ALA A 17 5.439 -1.455 4.828 1.00 1.00 H new ATOM 0 HB3 ALA A 17 7.134 -1.030 5.161 1.00 1.00 H new ATOM 261 N LYS A 18 8.845 -2.747 6.850 1.00 1.00 N ATOM 262 CA LYS A 18 10.187 -3.257 7.218 1.00 1.00 C ATOM 263 C LYS A 18 10.103 -4.344 8.302 1.00 1.00 C ATOM 264 O LYS A 18 10.609 -5.447 8.126 1.00 1.00 O ATOM 265 CB LYS A 18 11.121 -2.122 7.703 1.00 1.00 C ATOM 266 CG LYS A 18 12.596 -2.596 7.825 1.00 1.00 C ATOM 267 CD LYS A 18 13.127 -2.665 9.275 1.00 1.00 C ATOM 268 CE LYS A 18 12.990 -4.057 9.921 1.00 1.00 C ATOM 269 NZ LYS A 18 12.724 -3.989 11.376 1.00 1.00 N ATOM 0 H LYS A 18 8.746 -1.747 7.027 1.00 1.00 H new ATOM 0 HA LYS A 18 10.607 -3.693 6.312 1.00 1.00 H new ATOM 0 HB2 LYS A 18 11.065 -1.284 7.008 1.00 1.00 H new ATOM 0 HB3 LYS A 18 10.776 -1.757 8.670 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.686 -3.583 7.371 1.00 1.00 H new ATOM 0 HG3 LYS A 18 13.230 -1.921 7.250 1.00 1.00 H new ATOM 0 HD2 LYS A 18 14.177 -2.373 9.282 1.00 1.00 H new ATOM 0 HD3 LYS A 18 12.590 -1.938 9.884 1.00 1.00 H new ATOM 0 HE2 LYS A 18 12.181 -4.601 9.433 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.905 -4.624 9.749 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.540 -4.946 11.740 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.551 -3.586 11.862 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 11.894 -3.387 11.549 1.00 1.00 H new ATOM 283 N ASP A 19 9.488 -4.008 9.435 1.00 1.00 N ATOM 284 CA ASP A 19 9.130 -4.869 10.571 1.00 1.00 C ATOM 285 C ASP A 19 8.405 -6.165 10.128 1.00 1.00 C ATOM 286 O ASP A 19 8.763 -7.246 10.596 1.00 1.00 O ATOM 287 CB ASP A 19 8.330 -4.019 11.594 1.00 1.00 C ATOM 288 CG ASP A 19 9.205 -3.364 12.675 1.00 1.00 C ATOM 289 OD1 ASP A 19 10.396 -3.050 12.432 1.00 1.00 O ATOM 290 OD2 ASP A 19 8.707 -3.147 13.805 1.00 1.00 O ATOM 0 H ASP A 19 9.201 -3.043 9.600 1.00 1.00 H new ATOM 0 HA ASP A 19 10.034 -5.232 11.060 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.786 -3.240 11.059 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.586 -4.653 12.077 1.00 1.00 H new ATOM 295 N LEU A 20 7.463 -6.088 9.178 1.00 1.00 N ATOM 296 CA LEU A 20 6.804 -7.229 8.517 1.00 1.00 C ATOM 297 C LEU A 20 7.810 -8.142 7.760 1.00 1.00 C ATOM 298 O LEU A 20 7.738 -9.363 7.898 1.00 1.00 O ATOM 299 CB LEU A 20 5.667 -6.713 7.595 1.00 1.00 C ATOM 300 CG LEU A 20 4.226 -6.801 8.152 1.00 1.00 C ATOM 301 CD1 LEU A 20 4.014 -6.209 9.554 1.00 1.00 C ATOM 302 CD2 LEU A 20 3.274 -6.094 7.175 1.00 1.00 C ATOM 0 H LEU A 20 7.123 -5.191 8.832 1.00 1.00 H new ATOM 0 HA LEU A 20 6.364 -7.862 9.288 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.874 -5.671 7.350 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.706 -7.274 6.661 1.00 1.00 H new ATOM 0 HG LEU A 20 4.021 -7.867 8.251 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.970 -6.325 9.844 1.00 1.00 H new ATOM 0 HD12 LEU A 20 4.649 -6.731 10.269 1.00 1.00 H new ATOM 0 HD13 LEU A 20 4.273 -5.150 9.545 1.00 1.00 H new ATOM 0 HD21 LEU A 20 2.254 -6.149 7.556 1.00 1.00 H new ATOM 0 HD22 LEU A 20 3.567 -5.049 7.073 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.324 -6.582 6.201 1.00 1.00 H new ATOM 314 N ALA A 21 8.741 -7.585 6.967 1.00 1.00 N ATOM 315 CA ALA A 21 9.850 -8.327 6.341 1.00 1.00 C ATOM 316 C ALA A 21 10.795 -8.983 7.389 1.00 1.00 C ATOM 317 O ALA A 21 11.166 -10.148 7.241 1.00 1.00 O ATOM 318 CB ALA A 21 10.571 -7.403 5.348 1.00 1.00 C ATOM 0 H ALA A 21 8.745 -6.591 6.739 1.00 1.00 H new ATOM 0 HA ALA A 21 9.449 -9.172 5.782 1.00 1.00 H new ATOM 0 HB1 ALA A 21 11.394 -7.943 4.880 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.869 -7.075 4.581 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.962 -6.534 5.878 1.00 1.00 H new ATOM 324 N GLU A 22 11.169 -8.266 8.464 1.00 1.00 N ATOM 325 CA GLU A 22 11.919 -8.820 9.616 1.00 1.00 C ATOM 326 C GLU A 22 11.164 -9.976 10.317 1.00 1.00 C ATOM 327 O GLU A 22 11.770 -11.014 10.582 1.00 1.00 O ATOM 328 CB GLU A 22 12.339 -7.723 10.619 1.00 1.00 C ATOM 329 CG GLU A 22 13.261 -8.301 11.719 1.00 1.00 C ATOM 330 CD GLU A 22 14.114 -7.252 12.449 1.00 1.00 C ATOM 331 OE1 GLU A 22 13.606 -6.153 12.773 1.00 1.00 O ATOM 332 OE2 GLU A 22 15.324 -7.510 12.681 1.00 1.00 O ATOM 0 H GLU A 22 10.958 -7.273 8.563 1.00 1.00 H new ATOM 0 HA GLU A 22 12.833 -9.248 9.205 1.00 1.00 H new ATOM 0 HB2 GLU A 22 12.855 -6.921 10.091 1.00 1.00 H new ATOM 0 HB3 GLU A 22 11.452 -7.284 11.076 1.00 1.00 H new ATOM 0 HG2 GLU A 22 12.647 -8.826 12.451 1.00 1.00 H new ATOM 0 HG3 GLU A 22 13.923 -9.041 11.269 1.00 1.00 H new ATOM 339 N LYS A 23 9.842 -9.843 10.547 1.00 1.00 N ATOM 340 CA LYS A 23 8.925 -10.895 11.051 1.00 1.00 C ATOM 341 C LYS A 23 9.013 -12.161 10.185 1.00 1.00 C ATOM 342 O LYS A 23 9.227 -13.240 10.729 1.00 1.00 O ATOM 343 CB LYS A 23 7.478 -10.352 11.143 1.00 1.00 C ATOM 344 CG LYS A 23 6.423 -11.421 11.506 1.00 1.00 C ATOM 345 CD LYS A 23 5.006 -10.848 11.684 1.00 1.00 C ATOM 346 CE LYS A 23 4.432 -10.208 10.408 1.00 1.00 C ATOM 347 NZ LYS A 23 3.093 -9.625 10.658 1.00 1.00 N ATOM 0 H LYS A 23 9.359 -8.960 10.380 1.00 1.00 H new ATOM 0 HA LYS A 23 9.234 -11.176 12.058 1.00 1.00 H new ATOM 0 HB2 LYS A 23 7.446 -9.558 11.889 1.00 1.00 H new ATOM 0 HB3 LYS A 23 7.209 -9.902 10.187 1.00 1.00 H new ATOM 0 HG2 LYS A 23 6.404 -12.181 10.725 1.00 1.00 H new ATOM 0 HG3 LYS A 23 6.724 -11.919 12.428 1.00 1.00 H new ATOM 0 HD2 LYS A 23 4.339 -11.646 12.011 1.00 1.00 H new ATOM 0 HD3 LYS A 23 5.023 -10.102 12.478 1.00 1.00 H new ATOM 0 HE2 LYS A 23 5.109 -9.432 10.051 1.00 1.00 H new ATOM 0 HE3 LYS A 23 4.364 -10.958 9.620 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 2.730 -9.200 9.781 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 2.443 -10.372 10.976 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 3.165 -8.893 11.393 1.00 1.00 H new ATOM 361 N LEU A 24 8.907 -12.023 8.858 1.00 1.00 N ATOM 362 CA LEU A 24 9.115 -13.090 7.864 1.00 1.00 C ATOM 363 C LEU A 24 10.515 -13.747 7.906 1.00 1.00 C ATOM 364 O LEU A 24 10.617 -14.973 7.875 1.00 1.00 O ATOM 365 CB LEU A 24 8.724 -12.586 6.455 1.00 1.00 C ATOM 366 CG LEU A 24 7.640 -13.434 5.769 1.00 1.00 C ATOM 367 CD1 LEU A 24 8.036 -14.902 5.561 1.00 1.00 C ATOM 368 CD2 LEU A 24 6.335 -13.364 6.558 1.00 1.00 C ATOM 0 H LEU A 24 8.664 -11.131 8.427 1.00 1.00 H new ATOM 0 HA LEU A 24 8.447 -13.907 8.137 1.00 1.00 H new ATOM 0 HB2 LEU A 24 8.372 -11.557 6.532 1.00 1.00 H new ATOM 0 HB3 LEU A 24 9.613 -12.572 5.825 1.00 1.00 H new ATOM 0 HG LEU A 24 7.510 -13.003 4.776 1.00 1.00 H new ATOM 0 HD11 LEU A 24 7.219 -15.433 5.072 1.00 1.00 H new ATOM 0 HD12 LEU A 24 8.928 -14.953 4.936 1.00 1.00 H new ATOM 0 HD13 LEU A 24 8.242 -15.364 6.527 1.00 1.00 H new ATOM 0 HD21 LEU A 24 5.576 -13.969 6.061 1.00 1.00 H new ATOM 0 HD22 LEU A 24 6.499 -13.744 7.566 1.00 1.00 H new ATOM 0 HD23 LEU A 24 5.997 -12.329 6.611 1.00 1.00 H new ATOM 380 N SER A 25 11.586 -12.948 8.020 1.00 1.00 N ATOM 381 CA SER A 25 12.977 -13.418 8.234 1.00 1.00 C ATOM 382 C SER A 25 13.190 -14.162 9.571 1.00 1.00 C ATOM 383 O SER A 25 13.924 -15.147 9.627 1.00 1.00 O ATOM 384 CB SER A 25 13.952 -12.242 8.111 1.00 1.00 C ATOM 385 OG SER A 25 15.243 -12.716 7.789 1.00 1.00 O ATOM 0 H SER A 25 11.515 -11.932 7.966 1.00 1.00 H new ATOM 0 HA SER A 25 13.176 -14.152 7.453 1.00 1.00 H new ATOM 0 HB2 SER A 25 13.607 -11.552 7.341 1.00 1.00 H new ATOM 0 HB3 SER A 25 13.983 -11.685 9.048 1.00 1.00 H new ATOM 0 HG SER A 25 15.205 -13.229 6.955 1.00 1.00 H new ATOM 391 N ASN A 26 12.545 -13.714 10.654 1.00 1.00 N ATOM 392 CA ASN A 26 12.477 -14.385 11.955 1.00 1.00 C ATOM 393 C ASN A 26 11.693 -15.724 11.843 1.00 1.00 C ATOM 394 O ASN A 26 12.151 -16.758 12.328 1.00 1.00 O ATOM 395 CB ASN A 26 11.868 -13.366 12.948 1.00 1.00 C ATOM 396 CG ASN A 26 11.711 -13.880 14.366 1.00 1.00 C ATOM 397 OD1 ASN A 26 12.661 -14.091 15.100 1.00 1.00 O ATOM 398 ND2 ASN A 26 10.509 -14.022 14.861 1.00 1.00 N ATOM 0 H ASN A 26 12.032 -12.832 10.646 1.00 1.00 H new ATOM 0 HA ASN A 26 13.460 -14.680 12.322 1.00 1.00 H new ATOM 0 HB2 ASN A 26 12.497 -12.476 12.966 1.00 1.00 H new ATOM 0 HB3 ASN A 26 10.890 -13.058 12.577 1.00 1.00 H new ATOM 0 HD21 ASN A 26 10.388 -14.302 15.834 1.00 1.00 H new ATOM 0 HD22 ASN A 26 9.692 -13.853 14.274 1.00 1.00 H new ATOM 405 N GLU A 27 10.539 -15.716 11.164 1.00 1.00 N ATOM 406 CA GLU A 27 9.614 -16.832 10.881 1.00 1.00 C ATOM 407 C GLU A 27 10.180 -17.941 9.948 1.00 1.00 C ATOM 408 O GLU A 27 9.867 -19.118 10.179 1.00 1.00 O ATOM 409 CB GLU A 27 8.300 -16.215 10.329 1.00 1.00 C ATOM 410 CG GLU A 27 7.303 -17.183 9.679 1.00 1.00 C ATOM 411 CD GLU A 27 5.900 -16.566 9.540 1.00 1.00 C ATOM 412 OE1 GLU A 27 5.109 -16.615 10.512 1.00 1.00 O ATOM 413 OE2 GLU A 27 5.539 -16.098 8.436 1.00 1.00 O ATOM 0 H GLU A 27 10.192 -14.847 10.758 1.00 1.00 H new ATOM 0 HA GLU A 27 9.438 -17.369 11.813 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.794 -15.705 11.148 1.00 1.00 H new ATOM 0 HB3 GLU A 27 8.564 -15.454 9.594 1.00 1.00 H new ATOM 0 HG2 GLU A 27 7.670 -17.473 8.694 1.00 1.00 H new ATOM 0 HG3 GLU A 27 7.240 -18.093 10.276 1.00 1.00 H new ATOM 420 N ARG A 28 11.003 -17.608 8.930 1.00 1.00 N ATOM 421 CA ARG A 28 11.621 -18.547 7.951 1.00 1.00 C ATOM 422 C ARG A 28 13.139 -18.386 7.760 1.00 1.00 C ATOM 423 O ARG A 28 13.692 -17.295 7.792 1.00 1.00 O ATOM 424 CB ARG A 28 10.932 -18.490 6.568 1.00 1.00 C ATOM 425 CG ARG A 28 9.389 -18.480 6.598 1.00 1.00 C ATOM 426 CD ARG A 28 8.732 -19.004 5.311 1.00 1.00 C ATOM 427 NE ARG A 28 8.872 -18.108 4.140 1.00 1.00 N ATOM 428 CZ ARG A 28 9.308 -18.396 2.932 1.00 1.00 C ATOM 429 NH1 ARG A 28 9.666 -19.563 2.536 1.00 1.00 N ATOM 430 NH2 ARG A 28 9.387 -17.489 2.034 1.00 1.00 N ATOM 0 H ARG A 28 11.270 -16.639 8.755 1.00 1.00 H new ATOM 0 HA ARG A 28 11.461 -19.523 8.409 1.00 1.00 H new ATOM 0 HB2 ARG A 28 11.274 -17.596 6.047 1.00 1.00 H new ATOM 0 HB3 ARG A 28 11.262 -19.347 5.981 1.00 1.00 H new ATOM 0 HG2 ARG A 28 9.049 -19.085 7.439 1.00 1.00 H new ATOM 0 HG3 ARG A 28 9.047 -17.461 6.779 1.00 1.00 H new ATOM 0 HD2 ARG A 28 9.167 -19.973 5.065 1.00 1.00 H new ATOM 0 HD3 ARG A 28 7.672 -19.169 5.501 1.00 1.00 H new ATOM 0 HE ARG A 28 8.593 -17.138 4.290 1.00 1.00 H new ATOM 0 HH11 ARG A 28 9.624 -20.355 3.178 1.00 1.00 H new ATOM 0 HH12 ARG A 28 9.993 -19.699 1.579 1.00 1.00 H new ATOM 0 HH21 ARG A 28 9.111 -16.531 2.251 1.00 1.00 H new ATOM 0 HH22 ARG A 28 9.726 -17.723 1.101 1.00 1.00 H new ATOM 444 N ASP A 29 13.767 -19.499 7.413 1.00 1.00 N ATOM 445 CA ASP A 29 15.176 -19.693 7.003 1.00 1.00 C ATOM 446 C ASP A 29 15.477 -19.286 5.535 1.00 1.00 C ATOM 447 O ASP A 29 16.572 -18.840 5.189 1.00 1.00 O ATOM 448 CB ASP A 29 15.513 -21.190 7.189 1.00 1.00 C ATOM 449 CG ASP A 29 14.589 -22.208 6.481 1.00 1.00 C ATOM 450 OD1 ASP A 29 13.489 -21.851 5.991 1.00 1.00 O ATOM 451 OD2 ASP A 29 14.945 -23.410 6.467 1.00 1.00 O ATOM 0 H ASP A 29 13.264 -20.386 7.406 1.00 1.00 H new ATOM 0 HA ASP A 29 15.789 -19.040 7.625 1.00 1.00 H new ATOM 0 HB2 ASP A 29 16.532 -21.355 6.838 1.00 1.00 H new ATOM 0 HB3 ASP A 29 15.505 -21.410 8.257 1.00 1.00 H new ATOM 456 N ASP A 30 14.468 -19.438 4.679 1.00 1.00 N ATOM 457 CA ASP A 30 14.345 -19.030 3.280 1.00 1.00 C ATOM 458 C ASP A 30 14.349 -17.510 3.031 1.00 1.00 C ATOM 459 O ASP A 30 14.881 -17.032 2.024 1.00 1.00 O ATOM 460 CB ASP A 30 12.973 -19.561 2.804 1.00 1.00 C ATOM 461 CG ASP A 30 12.852 -19.745 1.290 1.00 1.00 C ATOM 462 OD1 ASP A 30 13.853 -20.128 0.649 1.00 1.00 O ATOM 463 OD2 ASP A 30 11.762 -19.479 0.735 1.00 1.00 O ATOM 0 H ASP A 30 13.616 -19.906 4.987 1.00 1.00 H new ATOM 0 HA ASP A 30 15.213 -19.425 2.752 1.00 1.00 H new ATOM 0 HB2 ASP A 30 12.780 -20.518 3.290 1.00 1.00 H new ATOM 0 HB3 ASP A 30 12.196 -18.872 3.136 1.00 1.00 H new ATOM 468 N PHE A 31 13.845 -16.752 4.007 1.00 1.00 N ATOM 469 CA PHE A 31 13.578 -15.313 3.901 1.00 1.00 C ATOM 470 C PHE A 31 14.677 -14.399 4.477 1.00 1.00 C ATOM 471 O PHE A 31 14.966 -14.347 5.675 1.00 1.00 O ATOM 472 CB PHE A 31 12.197 -15.027 4.525 1.00 1.00 C ATOM 473 CG PHE A 31 11.641 -13.653 4.177 1.00 1.00 C ATOM 474 CD1 PHE A 31 12.217 -12.484 4.729 1.00 1.00 C ATOM 475 CD2 PHE A 31 10.554 -13.530 3.280 1.00 1.00 C ATOM 476 CE1 PHE A 31 11.734 -11.210 4.375 1.00 1.00 C ATOM 477 CE2 PHE A 31 10.046 -12.257 2.952 1.00 1.00 C ATOM 478 CZ PHE A 31 10.648 -11.100 3.488 1.00 1.00 C ATOM 0 H PHE A 31 13.603 -17.133 4.922 1.00 1.00 H new ATOM 0 HA PHE A 31 13.578 -15.061 2.841 1.00 1.00 H new ATOM 0 HB2 PHE A 31 11.493 -15.789 4.192 1.00 1.00 H new ATOM 0 HB3 PHE A 31 12.273 -15.115 5.609 1.00 1.00 H new ATOM 0 HD1 PHE A 31 13.035 -12.570 5.429 1.00 1.00 H new ATOM 0 HD2 PHE A 31 10.112 -14.414 2.845 1.00 1.00 H new ATOM 0 HE1 PHE A 31 12.195 -10.322 4.782 1.00 1.00 H new ATOM 0 HE2 PHE A 31 9.197 -12.168 2.291 1.00 1.00 H new ATOM 0 HZ PHE A 31 10.273 -10.124 3.216 1.00 1.00 H new ATOM 488 N GLN A 32 15.252 -13.609 3.569 1.00 1.00 N ATOM 489 CA GLN A 32 16.333 -12.627 3.747 1.00 1.00 C ATOM 490 C GLN A 32 15.800 -11.186 3.599 1.00 1.00 C ATOM 491 O GLN A 32 15.045 -10.905 2.664 1.00 1.00 O ATOM 492 CB GLN A 32 17.423 -12.915 2.697 1.00 1.00 C ATOM 493 CG GLN A 32 18.000 -14.351 2.720 1.00 1.00 C ATOM 494 CD GLN A 32 18.168 -14.922 1.312 1.00 1.00 C ATOM 495 OE1 GLN A 32 19.050 -14.530 0.561 1.00 1.00 O ATOM 496 NE2 GLN A 32 17.324 -15.817 0.865 1.00 1.00 N ATOM 0 H GLN A 32 14.946 -13.640 2.596 1.00 1.00 H new ATOM 0 HA GLN A 32 16.749 -12.715 4.751 1.00 1.00 H new ATOM 0 HB2 GLN A 32 17.010 -12.723 1.707 1.00 1.00 H new ATOM 0 HB3 GLN A 32 18.241 -12.210 2.844 1.00 1.00 H new ATOM 0 HG2 GLN A 32 18.965 -14.346 3.227 1.00 1.00 H new ATOM 0 HG3 GLN A 32 17.340 -14.998 3.297 1.00 1.00 H new ATOM 0 HE21 GLN A 32 16.578 -16.162 1.470 1.00 1.00 H new ATOM 0 HE22 GLN A 32 17.412 -16.170 -0.088 1.00 1.00 H new ATOM 505 N TYR A 33 16.138 -10.279 4.524 1.00 1.00 N ATOM 506 CA TYR A 33 15.701 -8.863 4.556 1.00 1.00 C ATOM 507 C TYR A 33 16.870 -7.843 4.551 1.00 1.00 C ATOM 508 O TYR A 33 17.873 -8.062 5.234 1.00 1.00 O ATOM 509 CB TYR A 33 14.636 -8.612 5.649 1.00 1.00 C ATOM 510 CG TYR A 33 15.107 -7.975 6.948 1.00 1.00 C ATOM 511 CD1 TYR A 33 15.197 -6.564 7.042 1.00 1.00 C ATOM 512 CD2 TYR A 33 15.446 -8.774 8.065 1.00 1.00 C ATOM 513 CE1 TYR A 33 15.598 -5.955 8.251 1.00 1.00 C ATOM 514 CE2 TYR A 33 15.835 -8.166 9.283 1.00 1.00 C ATOM 515 CZ TYR A 33 15.906 -6.755 9.375 1.00 1.00 C ATOM 516 OH TYR A 33 16.231 -6.164 10.550 1.00 1.00 O ATOM 0 H TYR A 33 16.749 -10.514 5.307 1.00 1.00 H new ATOM 0 HA TYR A 33 15.200 -8.674 3.606 1.00 1.00 H new ATOM 0 HB2 TYR A 33 13.859 -7.976 5.224 1.00 1.00 H new ATOM 0 HB3 TYR A 33 14.169 -9.567 5.891 1.00 1.00 H new ATOM 0 HD1 TYR A 33 14.958 -5.952 6.185 1.00 1.00 H new ATOM 0 HD2 TYR A 33 15.408 -9.851 7.989 1.00 1.00 H new ATOM 0 HE1 TYR A 33 15.669 -4.879 8.317 1.00 1.00 H new ATOM 0 HE2 TYR A 33 16.077 -8.777 10.140 1.00 1.00 H new ATOM 0 HH TYR A 33 16.273 -6.842 11.256 1.00 1.00 H new ATOM 526 N GLN A 34 16.794 -6.766 3.756 1.00 1.00 N ATOM 527 CA GLN A 34 17.832 -5.709 3.615 1.00 1.00 C ATOM 528 C GLN A 34 17.219 -4.299 3.768 1.00 1.00 C ATOM 529 O GLN A 34 16.191 -4.010 3.153 1.00 1.00 O ATOM 530 CB GLN A 34 18.519 -5.831 2.229 1.00 1.00 C ATOM 531 CG GLN A 34 19.988 -5.371 2.183 1.00 1.00 C ATOM 532 CD GLN A 34 20.134 -3.884 1.874 1.00 1.00 C ATOM 533 OE1 GLN A 34 20.387 -3.065 2.737 1.00 1.00 O ATOM 534 NE2 GLN A 34 19.993 -3.469 0.640 1.00 1.00 N ATOM 0 H GLN A 34 15.980 -6.591 3.166 1.00 1.00 H new ATOM 0 HA GLN A 34 18.569 -5.849 4.406 1.00 1.00 H new ATOM 0 HB2 GLN A 34 18.470 -6.871 1.908 1.00 1.00 H new ATOM 0 HB3 GLN A 34 17.949 -5.247 1.506 1.00 1.00 H new ATOM 0 HG2 GLN A 34 20.461 -5.586 3.141 1.00 1.00 H new ATOM 0 HG3 GLN A 34 20.521 -5.948 1.427 1.00 1.00 H new ATOM 0 HE21 GLN A 34 19.781 -4.137 -0.101 1.00 1.00 H new ATOM 0 HE22 GLN A 34 20.096 -2.478 0.420 1.00 1.00 H new ATOM 543 N TYR A 35 17.841 -3.412 4.549 1.00 1.00 N ATOM 544 CA TYR A 35 17.341 -2.062 4.855 1.00 1.00 C ATOM 545 C TYR A 35 18.242 -0.905 4.352 1.00 1.00 C ATOM 546 O TYR A 35 19.431 -0.808 4.661 1.00 1.00 O ATOM 547 CB TYR A 35 16.966 -1.923 6.340 1.00 1.00 C ATOM 548 CG TYR A 35 16.514 -0.513 6.698 1.00 1.00 C ATOM 549 CD1 TYR A 35 15.624 0.182 5.843 1.00 1.00 C ATOM 550 CD2 TYR A 35 17.154 0.179 7.749 1.00 1.00 C ATOM 551 CE1 TYR A 35 15.523 1.585 5.926 1.00 1.00 C ATOM 552 CE2 TYR A 35 16.945 1.564 7.919 1.00 1.00 C ATOM 553 CZ TYR A 35 16.184 2.277 6.967 1.00 1.00 C ATOM 554 OH TYR A 35 16.100 3.627 7.053 1.00 1.00 O ATOM 0 H TYR A 35 18.733 -3.616 5.001 1.00 1.00 H new ATOM 0 HA TYR A 35 16.427 -1.953 4.270 1.00 1.00 H new ATOM 0 HB2 TYR A 35 16.169 -2.628 6.578 1.00 1.00 H new ATOM 0 HB3 TYR A 35 17.824 -2.193 6.955 1.00 1.00 H new ATOM 0 HD1 TYR A 35 15.024 -0.362 5.129 1.00 1.00 H new ATOM 0 HD2 TYR A 35 17.806 -0.354 8.425 1.00 1.00 H new ATOM 0 HE1 TYR A 35 14.942 2.130 5.197 1.00 1.00 H new ATOM 0 HE2 TYR A 35 17.365 2.076 8.772 1.00 1.00 H new ATOM 0 HH TYR A 35 16.945 3.986 7.396 1.00 1.00 H new ATOM 564 N VAL A 36 17.637 -0.020 3.549 1.00 1.00 N ATOM 565 CA VAL A 36 18.230 1.141 2.858 1.00 1.00 C ATOM 566 C VAL A 36 17.560 2.473 3.274 1.00 1.00 C ATOM 567 O VAL A 36 16.387 2.714 2.970 1.00 1.00 O ATOM 568 CB VAL A 36 18.161 0.933 1.324 1.00 1.00 C ATOM 569 CG1 VAL A 36 18.923 2.072 0.631 1.00 1.00 C ATOM 570 CG2 VAL A 36 18.687 -0.451 0.865 1.00 1.00 C ATOM 0 H VAL A 36 16.640 -0.101 3.347 1.00 1.00 H new ATOM 0 HA VAL A 36 19.275 1.213 3.159 1.00 1.00 H new ATOM 0 HB VAL A 36 17.110 0.953 1.034 1.00 1.00 H new ATOM 0 HG11 VAL A 36 18.880 1.934 -0.449 1.00 1.00 H new ATOM 0 HG12 VAL A 36 18.468 3.027 0.893 1.00 1.00 H new ATOM 0 HG13 VAL A 36 19.963 2.065 0.956 1.00 1.00 H new ATOM 0 HG21 VAL A 36 18.609 -0.528 -0.219 1.00 1.00 H new ATOM 0 HG22 VAL A 36 19.730 -0.561 1.163 1.00 1.00 H new ATOM 0 HG23 VAL A 36 18.092 -1.238 1.328 1.00 1.00 H new ATOM 580 N ASP A 37 18.281 3.378 3.951 1.00 1.00 N ATOM 581 CA ASP A 37 17.782 4.723 4.338 1.00 1.00 C ATOM 582 C ASP A 37 17.753 5.762 3.193 1.00 1.00 C ATOM 583 O ASP A 37 18.574 6.654 3.108 1.00 1.00 O ATOM 584 CB ASP A 37 18.393 5.324 5.635 1.00 1.00 C ATOM 585 CG ASP A 37 19.286 4.433 6.498 1.00 1.00 C ATOM 586 OD1 ASP A 37 20.510 4.336 6.242 1.00 1.00 O ATOM 587 OD2 ASP A 37 18.773 3.871 7.484 1.00 1.00 O ATOM 0 H ASP A 37 19.239 3.203 4.253 1.00 1.00 H new ATOM 0 HA ASP A 37 16.743 4.499 4.582 1.00 1.00 H new ATOM 0 HB2 ASP A 37 18.974 6.202 5.353 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.570 5.673 6.259 1.00 1.00 H new ATOM 592 N ILE A 38 16.721 5.769 2.363 1.00 1.00 N ATOM 593 CA ILE A 38 16.509 6.758 1.268 1.00 1.00 C ATOM 594 C ILE A 38 16.365 8.189 1.809 1.00 1.00 C ATOM 595 O ILE A 38 16.963 9.137 1.304 1.00 1.00 O ATOM 596 CB ILE A 38 15.336 6.336 0.338 1.00 1.00 C ATOM 597 CG1 ILE A 38 13.934 6.354 0.992 1.00 1.00 C ATOM 598 CG2 ILE A 38 15.694 4.961 -0.250 1.00 1.00 C ATOM 599 CD1 ILE A 38 13.138 7.653 0.790 1.00 1.00 C ATOM 0 H ILE A 38 15.975 5.075 2.418 1.00 1.00 H new ATOM 0 HA ILE A 38 17.405 6.762 0.647 1.00 1.00 H new ATOM 0 HB ILE A 38 15.237 7.087 -0.446 1.00 1.00 H new ATOM 0 HG12 ILE A 38 13.352 5.524 0.592 1.00 1.00 H new ATOM 0 HG13 ILE A 38 14.047 6.178 2.062 1.00 1.00 H new ATOM 0 HG21 ILE A 38 14.893 4.628 -0.911 1.00 1.00 H new ATOM 0 HG22 ILE A 38 16.623 5.038 -0.815 1.00 1.00 H new ATOM 0 HG23 ILE A 38 15.820 4.241 0.559 1.00 1.00 H new ATOM 0 HD11 ILE A 38 12.171 7.568 1.285 1.00 1.00 H new ATOM 0 HD12 ILE A 38 13.692 8.489 1.217 1.00 1.00 H new ATOM 0 HD13 ILE A 38 12.987 7.825 -0.276 1.00 1.00 H new ATOM 611 N ARG A 39 15.670 8.294 2.950 1.00 1.00 N ATOM 612 CA ARG A 39 15.411 9.481 3.775 1.00 1.00 C ATOM 613 C ARG A 39 16.668 10.023 4.487 1.00 1.00 C ATOM 614 O ARG A 39 16.594 11.103 5.076 1.00 1.00 O ATOM 615 CB ARG A 39 14.260 9.118 4.762 1.00 1.00 C ATOM 616 CG ARG A 39 13.291 10.270 5.091 1.00 1.00 C ATOM 617 CD ARG A 39 13.558 11.055 6.393 1.00 1.00 C ATOM 618 NE ARG A 39 13.090 12.457 6.259 1.00 1.00 N ATOM 619 CZ ARG A 39 13.707 13.425 5.621 1.00 1.00 C ATOM 620 NH1 ARG A 39 14.917 13.342 5.212 1.00 1.00 N ATOM 621 NH2 ARG A 39 13.120 14.514 5.298 1.00 1.00 N ATOM 0 H ARG A 39 15.232 7.468 3.358 1.00 1.00 H new ATOM 0 HA ARG A 39 15.107 10.310 3.135 1.00 1.00 H new ATOM 0 HB2 ARG A 39 13.687 8.292 4.340 1.00 1.00 H new ATOM 0 HB3 ARG A 39 14.700 8.758 5.692 1.00 1.00 H new ATOM 0 HG2 ARG A 39 13.307 10.975 4.260 1.00 1.00 H new ATOM 0 HG3 ARG A 39 12.282 9.861 5.142 1.00 1.00 H new ATOM 0 HD2 ARG A 39 13.047 10.573 7.227 1.00 1.00 H new ATOM 0 HD3 ARG A 39 14.624 11.041 6.621 1.00 1.00 H new ATOM 0 HE ARG A 39 12.203 12.691 6.706 1.00 1.00 H new ATOM 0 HH11 ARG A 39 15.454 12.490 5.377 1.00 1.00 H new ATOM 0 HH12 ARG A 39 15.344 14.127 4.721 1.00 1.00 H new ATOM 0 HH21 ARG A 39 12.138 14.654 5.536 1.00 1.00 H new ATOM 0 HH22 ARG A 39 13.634 15.243 4.803 1.00 1.00 H new ATOM 635 N ALA A 40 17.807 9.314 4.392 1.00 1.00 N ATOM 636 CA ALA A 40 19.126 9.770 4.891 1.00 1.00 C ATOM 637 C ALA A 40 20.283 9.691 3.850 1.00 1.00 C ATOM 638 O ALA A 40 20.996 10.670 3.627 1.00 1.00 O ATOM 639 CB ALA A 40 19.408 9.024 6.204 1.00 1.00 C ATOM 0 H ALA A 40 17.842 8.391 3.959 1.00 1.00 H new ATOM 0 HA ALA A 40 19.080 10.842 5.082 1.00 1.00 H new ATOM 0 HB1 ALA A 40 20.374 9.337 6.600 1.00 1.00 H new ATOM 0 HB2 ALA A 40 18.627 9.255 6.929 1.00 1.00 H new ATOM 0 HB3 ALA A 40 19.423 7.950 6.016 1.00 1.00 H new ATOM 645 N GLU A 41 20.410 8.572 3.131 1.00 1.00 N ATOM 646 CA GLU A 41 21.327 8.301 1.997 1.00 1.00 C ATOM 647 C GLU A 41 21.100 9.177 0.733 1.00 1.00 C ATOM 648 O GLU A 41 21.947 9.181 -0.157 1.00 1.00 O ATOM 649 CB GLU A 41 21.266 6.803 1.594 1.00 1.00 C ATOM 650 CG GLU A 41 22.640 6.246 1.189 1.00 1.00 C ATOM 651 CD GLU A 41 22.535 4.871 0.514 1.00 1.00 C ATOM 652 OE1 GLU A 41 22.382 4.838 -0.730 1.00 1.00 O ATOM 653 OE2 GLU A 41 22.642 3.828 1.207 1.00 1.00 O ATOM 0 H GLU A 41 19.830 7.759 3.337 1.00 1.00 H new ATOM 0 HA GLU A 41 22.313 8.569 2.375 1.00 1.00 H new ATOM 0 HB2 GLU A 41 20.873 6.221 2.428 1.00 1.00 H new ATOM 0 HB3 GLU A 41 20.569 6.681 0.765 1.00 1.00 H new ATOM 0 HG2 GLU A 41 23.127 6.945 0.510 1.00 1.00 H new ATOM 0 HG3 GLU A 41 23.273 6.167 2.073 1.00 1.00 H new ATOM 660 N GLY A 42 20.000 9.941 0.649 1.00 1.00 N ATOM 661 CA GLY A 42 19.715 10.954 -0.396 1.00 1.00 C ATOM 662 C GLY A 42 18.890 10.467 -1.595 1.00 1.00 C ATOM 663 O GLY A 42 19.294 10.627 -2.749 1.00 1.00 O ATOM 0 H GLY A 42 19.248 9.872 1.334 1.00 1.00 H new ATOM 0 HA2 GLY A 42 19.188 11.788 0.068 1.00 1.00 H new ATOM 0 HA3 GLY A 42 20.664 11.343 -0.766 1.00 1.00 H new ATOM 667 N ILE A 43 17.740 9.835 -1.343 1.00 1.00 N ATOM 668 CA ILE A 43 16.872 9.159 -2.337 1.00 1.00 C ATOM 669 C ILE A 43 15.381 9.386 -1.980 1.00 1.00 C ATOM 670 O ILE A 43 15.002 9.644 -0.837 1.00 1.00 O ATOM 671 CB ILE A 43 17.260 7.646 -2.406 1.00 1.00 C ATOM 672 CG1 ILE A 43 18.753 7.311 -2.700 1.00 1.00 C ATOM 673 CG2 ILE A 43 16.371 6.830 -3.373 1.00 1.00 C ATOM 674 CD1 ILE A 43 19.203 6.020 -1.995 1.00 1.00 C ATOM 0 H ILE A 43 17.363 9.773 -0.397 1.00 1.00 H new ATOM 0 HA ILE A 43 17.021 9.583 -3.330 1.00 1.00 H new ATOM 0 HB ILE A 43 17.079 7.344 -1.374 1.00 1.00 H new ATOM 0 HG12 ILE A 43 18.896 7.206 -3.775 1.00 1.00 H new ATOM 0 HG13 ILE A 43 19.382 8.140 -2.375 1.00 1.00 H new ATOM 0 HG21 ILE A 43 16.694 5.789 -3.373 1.00 1.00 H new ATOM 0 HG22 ILE A 43 15.332 6.888 -3.048 1.00 1.00 H new ATOM 0 HG23 ILE A 43 16.460 7.237 -4.380 1.00 1.00 H new ATOM 0 HD11 ILE A 43 20.250 5.824 -2.227 1.00 1.00 H new ATOM 0 HD12 ILE A 43 19.086 6.134 -0.917 1.00 1.00 H new ATOM 0 HD13 ILE A 43 18.593 5.185 -2.340 1.00 1.00 H new ATOM 686 N THR A 44 14.508 9.283 -2.980 1.00 1.00 N ATOM 687 CA THR A 44 13.065 9.622 -2.923 1.00 1.00 C ATOM 688 C THR A 44 12.198 8.799 -3.894 1.00 1.00 C ATOM 689 O THR A 44 12.727 8.163 -4.806 1.00 1.00 O ATOM 690 CB THR A 44 12.929 11.130 -3.219 1.00 1.00 C ATOM 691 OG1 THR A 44 11.581 11.513 -3.166 1.00 1.00 O ATOM 692 CG2 THR A 44 13.568 11.587 -4.535 1.00 1.00 C ATOM 0 H THR A 44 14.789 8.946 -3.901 1.00 1.00 H new ATOM 0 HA THR A 44 12.693 9.374 -1.929 1.00 1.00 H new ATOM 0 HB THR A 44 13.496 11.635 -2.437 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.256 11.694 -4.073 1.00 1.00 H new ATOM 0 HG21 THR A 44 13.422 12.660 -4.657 1.00 1.00 H new ATOM 0 HG22 THR A 44 14.635 11.366 -4.517 1.00 1.00 H new ATOM 0 HG23 THR A 44 13.102 11.061 -5.368 1.00 1.00 H new ATOM 700 N LYS A 45 10.859 8.837 -3.768 1.00 1.00 N ATOM 701 CA LYS A 45 9.894 8.234 -4.726 1.00 1.00 C ATOM 702 C LYS A 45 10.081 8.672 -6.200 1.00 1.00 C ATOM 703 O LYS A 45 9.779 7.885 -7.094 1.00 1.00 O ATOM 704 CB LYS A 45 8.442 8.257 -4.187 1.00 1.00 C ATOM 705 CG LYS A 45 7.848 9.593 -3.699 1.00 1.00 C ATOM 706 CD LYS A 45 7.449 10.566 -4.819 1.00 1.00 C ATOM 707 CE LYS A 45 6.724 11.775 -4.214 1.00 1.00 C ATOM 708 NZ LYS A 45 6.381 12.789 -5.230 1.00 1.00 N ATOM 0 H LYS A 45 10.400 9.297 -2.982 1.00 1.00 H new ATOM 0 HA LYS A 45 10.147 7.175 -4.787 1.00 1.00 H new ATOM 0 HB2 LYS A 45 7.792 7.876 -4.975 1.00 1.00 H new ATOM 0 HB3 LYS A 45 8.387 7.550 -3.359 1.00 1.00 H new ATOM 0 HG2 LYS A 45 6.970 9.383 -3.089 1.00 1.00 H new ATOM 0 HG3 LYS A 45 8.575 10.084 -3.052 1.00 1.00 H new ATOM 0 HD2 LYS A 45 8.335 10.895 -5.362 1.00 1.00 H new ATOM 0 HD3 LYS A 45 6.802 10.063 -5.538 1.00 1.00 H new ATOM 0 HE2 LYS A 45 5.814 11.439 -3.718 1.00 1.00 H new ATOM 0 HE3 LYS A 45 7.355 12.229 -3.450 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 5.647 13.422 -4.854 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 7.228 13.344 -5.467 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 6.026 12.317 -6.086 1.00 1.00 H new ATOM 722 N GLU A 46 10.654 9.855 -6.466 1.00 1.00 N ATOM 723 CA GLU A 46 11.067 10.351 -7.807 1.00 1.00 C ATOM 724 C GLU A 46 12.266 9.551 -8.395 1.00 1.00 C ATOM 725 O GLU A 46 12.368 9.395 -9.610 1.00 1.00 O ATOM 726 CB GLU A 46 11.436 11.848 -7.754 1.00 1.00 C ATOM 727 CG GLU A 46 10.224 12.792 -7.595 1.00 1.00 C ATOM 728 CD GLU A 46 9.797 12.995 -6.127 1.00 1.00 C ATOM 729 OE1 GLU A 46 10.388 12.400 -5.195 1.00 1.00 O ATOM 730 OE2 GLU A 46 8.849 13.764 -5.852 1.00 1.00 O ATOM 0 H GLU A 46 10.855 10.529 -5.727 1.00 1.00 H new ATOM 0 HA GLU A 46 10.208 10.206 -8.462 1.00 1.00 H new ATOM 0 HB2 GLU A 46 12.122 12.013 -6.923 1.00 1.00 H new ATOM 0 HB3 GLU A 46 11.971 12.112 -8.666 1.00 1.00 H new ATOM 0 HG2 GLU A 46 10.467 13.760 -8.033 1.00 1.00 H new ATOM 0 HG3 GLU A 46 9.382 12.389 -8.159 1.00 1.00 H new ATOM 737 N ASP A 47 13.163 9.022 -7.553 1.00 1.00 N ATOM 738 CA ASP A 47 14.267 8.099 -7.865 1.00 1.00 C ATOM 739 C ASP A 47 13.776 6.630 -7.881 1.00 1.00 C ATOM 740 O ASP A 47 13.952 5.915 -8.867 1.00 1.00 O ATOM 741 CB ASP A 47 15.392 8.287 -6.819 1.00 1.00 C ATOM 742 CG ASP A 47 16.456 9.316 -7.212 1.00 1.00 C ATOM 743 OD1 ASP A 47 16.865 9.335 -8.394 1.00 1.00 O ATOM 744 OD2 ASP A 47 16.970 10.038 -6.326 1.00 1.00 O ATOM 0 H ASP A 47 13.135 9.244 -6.558 1.00 1.00 H new ATOM 0 HA ASP A 47 14.652 8.326 -8.859 1.00 1.00 H new ATOM 0 HB2 ASP A 47 14.944 8.589 -5.872 1.00 1.00 H new ATOM 0 HB3 ASP A 47 15.878 7.326 -6.650 1.00 1.00 H new ATOM 749 N LEU A 48 13.110 6.180 -6.808 1.00 1.00 N ATOM 750 CA LEU A 48 12.576 4.819 -6.629 1.00 1.00 C ATOM 751 C LEU A 48 11.649 4.370 -7.782 1.00 1.00 C ATOM 752 O LEU A 48 11.742 3.213 -8.182 1.00 1.00 O ATOM 753 CB LEU A 48 11.952 4.680 -5.220 1.00 1.00 C ATOM 754 CG LEU A 48 12.999 4.804 -4.078 1.00 1.00 C ATOM 755 CD1 LEU A 48 12.376 5.254 -2.752 1.00 1.00 C ATOM 756 CD2 LEU A 48 13.737 3.477 -3.862 1.00 1.00 C ATOM 0 H LEU A 48 12.920 6.780 -6.005 1.00 1.00 H new ATOM 0 HA LEU A 48 13.406 4.114 -6.685 1.00 1.00 H new ATOM 0 HB2 LEU A 48 11.188 5.446 -5.090 1.00 1.00 H new ATOM 0 HB3 LEU A 48 11.452 3.715 -5.144 1.00 1.00 H new ATOM 0 HG LEU A 48 13.704 5.571 -4.397 1.00 1.00 H new ATOM 0 HD11 LEU A 48 13.153 5.324 -1.990 1.00 1.00 H new ATOM 0 HD12 LEU A 48 11.907 6.229 -2.883 1.00 1.00 H new ATOM 0 HD13 LEU A 48 11.624 4.529 -2.439 1.00 1.00 H new ATOM 0 HD21 LEU A 48 14.464 3.592 -3.058 1.00 1.00 H new ATOM 0 HD22 LEU A 48 13.020 2.701 -3.595 1.00 1.00 H new ATOM 0 HD23 LEU A 48 14.253 3.194 -4.779 1.00 1.00 H new ATOM 768 N GLN A 49 10.837 5.260 -8.384 1.00 1.00 N ATOM 769 CA GLN A 49 10.044 4.977 -9.608 1.00 1.00 C ATOM 770 C GLN A 49 10.930 4.598 -10.826 1.00 1.00 C ATOM 771 O GLN A 49 10.593 3.672 -11.567 1.00 1.00 O ATOM 772 CB GLN A 49 9.103 6.159 -9.948 1.00 1.00 C ATOM 773 CG GLN A 49 9.766 7.457 -10.446 1.00 1.00 C ATOM 774 CD GLN A 49 8.801 8.643 -10.434 1.00 1.00 C ATOM 775 OE1 GLN A 49 8.484 9.260 -11.437 1.00 1.00 O ATOM 776 NE2 GLN A 49 8.280 9.027 -9.299 1.00 1.00 N ATOM 0 H GLN A 49 10.708 6.209 -8.034 1.00 1.00 H new ATOM 0 HA GLN A 49 9.432 4.103 -9.386 1.00 1.00 H new ATOM 0 HB2 GLN A 49 8.399 5.824 -10.710 1.00 1.00 H new ATOM 0 HB3 GLN A 49 8.520 6.396 -9.058 1.00 1.00 H new ATOM 0 HG2 GLN A 49 10.628 7.686 -9.819 1.00 1.00 H new ATOM 0 HG3 GLN A 49 10.140 7.306 -11.459 1.00 1.00 H new ATOM 0 HE21 GLN A 49 8.519 8.538 -8.437 1.00 1.00 H new ATOM 0 HE22 GLN A 49 7.634 9.816 -9.275 1.00 1.00 H new ATOM 785 N GLN A 50 12.074 5.283 -11.008 1.00 1.00 N ATOM 786 CA GLN A 50 13.129 5.028 -12.015 1.00 1.00 C ATOM 787 C GLN A 50 13.918 3.729 -11.722 1.00 1.00 C ATOM 788 O GLN A 50 14.217 2.972 -12.646 1.00 1.00 O ATOM 789 CB GLN A 50 14.086 6.242 -12.130 1.00 1.00 C ATOM 790 CG GLN A 50 13.388 7.561 -12.528 1.00 1.00 C ATOM 791 CD GLN A 50 14.340 8.760 -12.520 1.00 1.00 C ATOM 792 OE1 GLN A 50 14.965 9.111 -13.506 1.00 1.00 O ATOM 793 NE2 GLN A 50 14.490 9.451 -11.413 1.00 1.00 N ATOM 0 H GLN A 50 12.304 6.083 -10.418 1.00 1.00 H new ATOM 0 HA GLN A 50 12.629 4.888 -12.974 1.00 1.00 H new ATOM 0 HB2 GLN A 50 14.591 6.385 -11.174 1.00 1.00 H new ATOM 0 HB3 GLN A 50 14.857 6.015 -12.867 1.00 1.00 H new ATOM 0 HG2 GLN A 50 12.956 7.452 -13.523 1.00 1.00 H new ATOM 0 HG3 GLN A 50 12.564 7.752 -11.841 1.00 1.00 H new ATOM 0 HE21 GLN A 50 13.981 9.182 -10.571 1.00 1.00 H new ATOM 0 HE22 GLN A 50 15.116 10.256 -11.395 1.00 1.00 H new ATOM 802 N LYS A 51 14.234 3.426 -10.446 1.00 1.00 N ATOM 803 CA LYS A 51 14.830 2.139 -9.990 1.00 1.00 C ATOM 804 C LYS A 51 13.893 0.926 -10.143 1.00 1.00 C ATOM 805 O LYS A 51 14.345 -0.163 -10.479 1.00 1.00 O ATOM 806 CB LYS A 51 15.331 2.245 -8.529 1.00 1.00 C ATOM 807 CG LYS A 51 16.478 3.246 -8.276 1.00 1.00 C ATOM 808 CD LYS A 51 17.606 3.239 -9.323 1.00 1.00 C ATOM 809 CE LYS A 51 18.222 1.866 -9.645 1.00 1.00 C ATOM 810 NZ LYS A 51 19.012 1.937 -10.901 1.00 1.00 N ATOM 0 H LYS A 51 14.081 4.082 -9.680 1.00 1.00 H new ATOM 0 HA LYS A 51 15.675 1.960 -10.655 1.00 1.00 H new ATOM 0 HB2 LYS A 51 14.488 2.522 -7.896 1.00 1.00 H new ATOM 0 HB3 LYS A 51 15.660 1.257 -8.207 1.00 1.00 H new ATOM 0 HG2 LYS A 51 16.057 4.250 -8.228 1.00 1.00 H new ATOM 0 HG3 LYS A 51 16.912 3.035 -7.299 1.00 1.00 H new ATOM 0 HD2 LYS A 51 17.218 3.667 -10.248 1.00 1.00 H new ATOM 0 HD3 LYS A 51 18.401 3.899 -8.975 1.00 1.00 H new ATOM 0 HE2 LYS A 51 18.862 1.545 -8.823 1.00 1.00 H new ATOM 0 HE3 LYS A 51 17.433 1.120 -9.745 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 19.422 1.004 -11.106 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 18.392 2.223 -11.685 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 19.776 2.634 -10.792 1.00 1.00 H new ATOM 824 N ALA A 52 12.598 1.126 -9.903 1.00 1.00 N ATOM 825 CA ALA A 52 11.504 0.156 -10.002 1.00 1.00 C ATOM 826 C ALA A 52 10.949 -0.113 -11.419 1.00 1.00 C ATOM 827 O ALA A 52 10.238 -1.107 -11.586 1.00 1.00 O ATOM 828 CB ALA A 52 10.358 0.706 -9.133 1.00 1.00 C ATOM 0 H ALA A 52 12.258 2.042 -9.611 1.00 1.00 H new ATOM 0 HA ALA A 52 11.909 -0.803 -9.679 1.00 1.00 H new ATOM 0 HB1 ALA A 52 9.512 0.020 -9.170 1.00 1.00 H new ATOM 0 HB2 ALA A 52 10.699 0.807 -8.103 1.00 1.00 H new ATOM 0 HB3 ALA A 52 10.051 1.681 -9.511 1.00 1.00 H new ATOM 834 N GLY A 53 11.209 0.752 -12.413 1.00 1.00 N ATOM 835 CA GLY A 53 10.566 0.673 -13.742 1.00 1.00 C ATOM 836 C GLY A 53 9.025 0.827 -13.694 1.00 1.00 C ATOM 837 O GLY A 53 8.338 0.467 -14.651 1.00 1.00 O ATOM 0 H GLY A 53 11.868 1.525 -12.322 1.00 1.00 H new ATOM 0 HA2 GLY A 53 10.981 1.450 -14.384 1.00 1.00 H new ATOM 0 HA3 GLY A 53 10.813 -0.285 -14.200 1.00 1.00 H new ATOM 841 N LYS A 54 8.483 1.350 -12.580 1.00 1.00 N ATOM 842 CA LYS A 54 7.068 1.476 -12.171 1.00 1.00 C ATOM 843 C LYS A 54 6.708 2.936 -11.809 1.00 1.00 C ATOM 844 O LYS A 54 7.433 3.525 -11.000 1.00 1.00 O ATOM 845 CB LYS A 54 6.819 0.512 -10.981 1.00 1.00 C ATOM 846 CG LYS A 54 5.433 0.662 -10.311 1.00 1.00 C ATOM 847 CD LYS A 54 4.887 -0.635 -9.689 1.00 1.00 C ATOM 848 CE LYS A 54 3.410 -0.460 -9.311 1.00 1.00 C ATOM 849 NZ LYS A 54 2.828 -1.699 -8.749 1.00 1.00 N ATOM 0 H LYS A 54 9.093 1.739 -11.862 1.00 1.00 H new ATOM 0 HA LYS A 54 6.420 1.203 -13.004 1.00 1.00 H new ATOM 0 HB2 LYS A 54 6.929 -0.514 -11.332 1.00 1.00 H new ATOM 0 HB3 LYS A 54 7.591 0.676 -10.229 1.00 1.00 H new ATOM 0 HG2 LYS A 54 5.498 1.424 -9.534 1.00 1.00 H new ATOM 0 HG3 LYS A 54 4.721 1.023 -11.053 1.00 1.00 H new ATOM 0 HD2 LYS A 54 4.994 -1.459 -10.395 1.00 1.00 H new ATOM 0 HD3 LYS A 54 5.468 -0.895 -8.804 1.00 1.00 H new ATOM 0 HE2 LYS A 54 3.316 0.346 -8.584 1.00 1.00 H new ATOM 0 HE3 LYS A 54 2.843 -0.162 -10.193 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 1.830 -1.535 -8.508 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 2.894 -2.463 -9.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 3.351 -1.971 -7.892 1.00 1.00 H new ATOM 863 N PRO A 55 5.592 3.510 -12.321 1.00 1.00 N ATOM 864 CA PRO A 55 5.143 4.872 -11.990 1.00 1.00 C ATOM 865 C PRO A 55 4.615 5.001 -10.540 1.00 1.00 C ATOM 866 O PRO A 55 3.406 4.980 -10.289 1.00 1.00 O ATOM 867 CB PRO A 55 4.104 5.219 -13.069 1.00 1.00 C ATOM 868 CG PRO A 55 3.489 3.868 -13.423 1.00 1.00 C ATOM 869 CD PRO A 55 4.685 2.923 -13.311 1.00 1.00 C ATOM 0 HA PRO A 55 5.967 5.586 -12.001 1.00 1.00 H new ATOM 0 HB2 PRO A 55 3.354 5.915 -12.694 1.00 1.00 H new ATOM 0 HB3 PRO A 55 4.568 5.688 -13.937 1.00 1.00 H new ATOM 0 HG2 PRO A 55 2.689 3.593 -12.736 1.00 1.00 H new ATOM 0 HG3 PRO A 55 3.062 3.866 -14.426 1.00 1.00 H new ATOM 0 HD2 PRO A 55 4.365 1.928 -13.001 1.00 1.00 H new ATOM 0 HD3 PRO A 55 5.183 2.812 -14.274 1.00 1.00 H new ATOM 877 N VAL A 56 5.527 5.099 -9.561 1.00 1.00 N ATOM 878 CA VAL A 56 5.210 5.383 -8.136 1.00 1.00 C ATOM 879 C VAL A 56 5.055 6.891 -7.857 1.00 1.00 C ATOM 880 O VAL A 56 5.616 7.747 -8.542 1.00 1.00 O ATOM 881 CB VAL A 56 6.176 4.720 -7.108 1.00 1.00 C ATOM 882 CG1 VAL A 56 6.457 3.231 -7.398 1.00 1.00 C ATOM 883 CG2 VAL A 56 7.531 5.411 -6.879 1.00 1.00 C ATOM 0 H VAL A 56 6.526 4.982 -9.731 1.00 1.00 H new ATOM 0 HA VAL A 56 4.243 4.905 -7.981 1.00 1.00 H new ATOM 0 HB VAL A 56 5.595 4.839 -6.193 1.00 1.00 H new ATOM 0 HG11 VAL A 56 7.136 2.835 -6.643 1.00 1.00 H new ATOM 0 HG12 VAL A 56 5.521 2.673 -7.373 1.00 1.00 H new ATOM 0 HG13 VAL A 56 6.912 3.132 -8.383 1.00 1.00 H new ATOM 0 HG21 VAL A 56 8.106 4.850 -6.142 1.00 1.00 H new ATOM 0 HG22 VAL A 56 8.083 5.449 -7.818 1.00 1.00 H new ATOM 0 HG23 VAL A 56 7.365 6.425 -6.514 1.00 1.00 H new ATOM 893 N GLU A 57 4.339 7.220 -6.786 1.00 1.00 N ATOM 894 CA GLU A 57 4.150 8.588 -6.245 1.00 1.00 C ATOM 895 C GLU A 57 4.177 8.672 -4.694 1.00 1.00 C ATOM 896 O GLU A 57 4.276 9.753 -4.115 1.00 1.00 O ATOM 897 CB GLU A 57 2.834 9.156 -6.836 1.00 1.00 C ATOM 898 CG GLU A 57 2.684 10.685 -6.788 1.00 1.00 C ATOM 899 CD GLU A 57 3.762 11.397 -7.618 1.00 1.00 C ATOM 900 OE1 GLU A 57 4.902 11.557 -7.138 1.00 1.00 O ATOM 901 OE2 GLU A 57 3.530 11.751 -8.797 1.00 1.00 O ATOM 0 H GLU A 57 3.846 6.516 -6.236 1.00 1.00 H new ATOM 0 HA GLU A 57 5.002 9.195 -6.550 1.00 1.00 H new ATOM 0 HB2 GLU A 57 2.756 8.835 -7.875 1.00 1.00 H new ATOM 0 HB3 GLU A 57 1.995 8.711 -6.301 1.00 1.00 H new ATOM 0 HG2 GLU A 57 1.698 10.964 -7.159 1.00 1.00 H new ATOM 0 HG3 GLU A 57 2.742 11.022 -5.753 1.00 1.00 H new ATOM 908 N THR A 58 4.136 7.526 -4.007 1.00 1.00 N ATOM 909 CA THR A 58 3.987 7.310 -2.546 1.00 1.00 C ATOM 910 C THR A 58 4.727 6.056 -2.038 1.00 1.00 C ATOM 911 O THR A 58 5.336 5.296 -2.792 1.00 1.00 O ATOM 912 CB THR A 58 2.487 7.133 -2.161 1.00 1.00 C ATOM 913 OG1 THR A 58 1.888 6.167 -3.001 1.00 1.00 O ATOM 914 CG2 THR A 58 1.673 8.418 -2.270 1.00 1.00 C ATOM 0 H THR A 58 4.213 6.635 -4.498 1.00 1.00 H new ATOM 0 HA THR A 58 4.421 8.197 -2.083 1.00 1.00 H new ATOM 0 HB THR A 58 2.482 6.821 -1.117 1.00 1.00 H new ATOM 0 HG1 THR A 58 1.033 5.882 -2.615 1.00 1.00 H new ATOM 0 HG21 THR A 58 0.639 8.219 -1.987 1.00 1.00 H new ATOM 0 HG22 THR A 58 2.093 9.172 -1.604 1.00 1.00 H new ATOM 0 HG23 THR A 58 1.704 8.783 -3.297 1.00 1.00 H new ATOM 922 N VAL A 59 4.689 5.871 -0.712 1.00 1.00 N ATOM 923 CA VAL A 59 5.146 4.680 0.047 1.00 1.00 C ATOM 924 C VAL A 59 4.028 3.614 0.177 1.00 1.00 C ATOM 925 O VAL A 59 2.874 3.923 -0.129 1.00 1.00 O ATOM 926 CB VAL A 59 5.652 5.044 1.473 1.00 1.00 C ATOM 927 CG1 VAL A 59 7.185 5.158 1.456 1.00 1.00 C ATOM 928 CG2 VAL A 59 4.925 6.254 2.079 1.00 1.00 C ATOM 0 H VAL A 59 4.316 6.591 -0.093 1.00 1.00 H new ATOM 0 HA VAL A 59 5.975 4.269 -0.529 1.00 1.00 H new ATOM 0 HB VAL A 59 5.396 4.236 2.159 1.00 1.00 H new ATOM 0 HG11 VAL A 59 7.542 5.413 2.454 1.00 1.00 H new ATOM 0 HG12 VAL A 59 7.617 4.206 1.148 1.00 1.00 H new ATOM 0 HG13 VAL A 59 7.484 5.936 0.754 1.00 1.00 H new ATOM 0 HG21 VAL A 59 5.323 6.457 3.073 1.00 1.00 H new ATOM 0 HG22 VAL A 59 5.076 7.126 1.442 1.00 1.00 H new ATOM 0 HG23 VAL A 59 3.859 6.039 2.152 1.00 1.00 H new ATOM 938 N PRO A 60 4.346 2.373 0.621 1.00 1.00 N ATOM 939 CA PRO A 60 5.707 1.852 0.851 1.00 1.00 C ATOM 940 C PRO A 60 6.536 1.721 -0.451 1.00 1.00 C ATOM 941 O PRO A 60 6.023 1.839 -1.563 1.00 1.00 O ATOM 942 CB PRO A 60 5.518 0.540 1.615 1.00 1.00 C ATOM 943 CG PRO A 60 4.126 0.064 1.192 1.00 1.00 C ATOM 944 CD PRO A 60 3.352 1.339 0.875 1.00 1.00 C ATOM 0 HA PRO A 60 6.309 2.546 1.437 1.00 1.00 H new ATOM 0 HB2 PRO A 60 6.286 -0.188 1.354 1.00 1.00 H new ATOM 0 HB3 PRO A 60 5.577 0.693 2.693 1.00 1.00 H new ATOM 0 HG2 PRO A 60 4.180 -0.591 0.323 1.00 1.00 H new ATOM 0 HG3 PRO A 60 3.644 -0.503 1.989 1.00 1.00 H new ATOM 0 HD2 PRO A 60 2.709 1.197 0.006 1.00 1.00 H new ATOM 0 HD3 PRO A 60 2.706 1.618 1.707 1.00 1.00 H new ATOM 952 N GLN A 61 7.848 1.535 -0.296 1.00 1.00 N ATOM 953 CA GLN A 61 8.856 1.389 -1.353 1.00 1.00 C ATOM 954 C GLN A 61 9.811 0.220 -1.026 1.00 1.00 C ATOM 955 O GLN A 61 10.943 0.376 -0.573 1.00 1.00 O ATOM 956 CB GLN A 61 9.554 2.743 -1.625 1.00 1.00 C ATOM 957 CG GLN A 61 8.673 3.762 -2.392 1.00 1.00 C ATOM 958 CD GLN A 61 8.225 3.251 -3.766 1.00 1.00 C ATOM 959 OE1 GLN A 61 8.969 2.642 -4.514 1.00 1.00 O ATOM 960 NE2 GLN A 61 6.995 3.400 -4.185 1.00 1.00 N ATOM 0 H GLN A 61 8.265 1.478 0.633 1.00 1.00 H new ATOM 0 HA GLN A 61 8.379 1.118 -2.295 1.00 1.00 H new ATOM 0 HB2 GLN A 61 9.856 3.182 -0.674 1.00 1.00 H new ATOM 0 HB3 GLN A 61 10.465 2.563 -2.196 1.00 1.00 H new ATOM 0 HG2 GLN A 61 7.793 3.996 -1.793 1.00 1.00 H new ATOM 0 HG3 GLN A 61 9.229 4.691 -2.519 1.00 1.00 H new ATOM 0 HE21 GLN A 61 6.317 3.900 -3.610 1.00 1.00 H new ATOM 0 HE22 GLN A 61 6.714 3.016 -5.087 1.00 1.00 H new ATOM 969 N ILE A 62 9.299 -0.988 -1.240 1.00 1.00 N ATOM 970 CA ILE A 62 9.988 -2.298 -1.161 1.00 1.00 C ATOM 971 C ILE A 62 10.225 -2.969 -2.541 1.00 1.00 C ATOM 972 O ILE A 62 9.497 -2.782 -3.520 1.00 1.00 O ATOM 973 CB ILE A 62 9.256 -3.190 -0.110 1.00 1.00 C ATOM 974 CG1 ILE A 62 9.656 -2.704 1.311 1.00 1.00 C ATOM 975 CG2 ILE A 62 9.528 -4.705 -0.244 1.00 1.00 C ATOM 976 CD1 ILE A 62 8.696 -3.061 2.447 1.00 1.00 C ATOM 0 H ILE A 62 8.317 -1.099 -1.493 1.00 1.00 H new ATOM 0 HA ILE A 62 11.008 -2.141 -0.810 1.00 1.00 H new ATOM 0 HB ILE A 62 8.187 -3.076 -0.293 1.00 1.00 H new ATOM 0 HG12 ILE A 62 10.636 -3.116 1.550 1.00 1.00 H new ATOM 0 HG13 ILE A 62 9.764 -1.620 1.283 1.00 1.00 H new ATOM 0 HG21 ILE A 62 8.978 -5.243 0.528 1.00 1.00 H new ATOM 0 HG22 ILE A 62 9.203 -5.047 -1.227 1.00 1.00 H new ATOM 0 HG23 ILE A 62 10.595 -4.895 -0.128 1.00 1.00 H new ATOM 0 HD11 ILE A 62 9.083 -2.668 3.387 1.00 1.00 H new ATOM 0 HD12 ILE A 62 7.717 -2.625 2.247 1.00 1.00 H new ATOM 0 HD13 ILE A 62 8.603 -4.145 2.517 1.00 1.00 H new ATOM 988 N PHE A 63 11.303 -3.761 -2.605 1.00 1.00 N ATOM 989 CA PHE A 63 11.788 -4.550 -3.745 1.00 1.00 C ATOM 990 C PHE A 63 12.064 -5.998 -3.292 1.00 1.00 C ATOM 991 O PHE A 63 13.045 -6.277 -2.599 1.00 1.00 O ATOM 992 CB PHE A 63 13.057 -3.913 -4.352 1.00 1.00 C ATOM 993 CG PHE A 63 12.886 -2.636 -5.172 1.00 1.00 C ATOM 994 CD1 PHE A 63 12.472 -1.433 -4.552 1.00 1.00 C ATOM 995 CD2 PHE A 63 13.268 -2.609 -6.536 1.00 1.00 C ATOM 996 CE1 PHE A 63 12.462 -0.218 -5.268 1.00 1.00 C ATOM 997 CE2 PHE A 63 13.267 -1.392 -7.251 1.00 1.00 C ATOM 998 CZ PHE A 63 12.875 -0.194 -6.615 1.00 1.00 C ATOM 0 H PHE A 63 11.909 -3.876 -1.793 1.00 1.00 H new ATOM 0 HA PHE A 63 11.021 -4.562 -4.519 1.00 1.00 H new ATOM 0 HB2 PHE A 63 13.748 -3.698 -3.537 1.00 1.00 H new ATOM 0 HB3 PHE A 63 13.536 -4.658 -4.987 1.00 1.00 H new ATOM 0 HD1 PHE A 63 12.160 -1.446 -3.518 1.00 1.00 H new ATOM 0 HD2 PHE A 63 13.561 -3.523 -7.031 1.00 1.00 H new ATOM 0 HE1 PHE A 63 12.138 0.692 -4.785 1.00 1.00 H new ATOM 0 HE2 PHE A 63 13.567 -1.377 -8.288 1.00 1.00 H new ATOM 0 HZ PHE A 63 12.892 0.739 -7.160 1.00 1.00 H new ATOM 1008 N VAL A 64 11.179 -6.922 -3.665 1.00 1.00 N ATOM 1009 CA VAL A 64 11.283 -8.375 -3.403 1.00 1.00 C ATOM 1010 C VAL A 64 12.015 -9.043 -4.580 1.00 1.00 C ATOM 1011 O VAL A 64 11.745 -8.757 -5.747 1.00 1.00 O ATOM 1012 CB VAL A 64 9.905 -9.018 -3.180 1.00 1.00 C ATOM 1013 CG1 VAL A 64 10.051 -10.515 -2.857 1.00 1.00 C ATOM 1014 CG2 VAL A 64 9.165 -8.329 -2.017 1.00 1.00 C ATOM 0 H VAL A 64 10.332 -6.679 -4.179 1.00 1.00 H new ATOM 0 HA VAL A 64 11.850 -8.524 -2.484 1.00 1.00 H new ATOM 0 HB VAL A 64 9.332 -8.897 -4.099 1.00 1.00 H new ATOM 0 HG11 VAL A 64 9.064 -10.952 -2.703 1.00 1.00 H new ATOM 0 HG12 VAL A 64 10.545 -11.020 -3.687 1.00 1.00 H new ATOM 0 HG13 VAL A 64 10.647 -10.636 -1.952 1.00 1.00 H new ATOM 0 HG21 VAL A 64 8.192 -8.799 -1.876 1.00 1.00 H new ATOM 0 HG22 VAL A 64 9.752 -8.427 -1.104 1.00 1.00 H new ATOM 0 HG23 VAL A 64 9.028 -7.273 -2.248 1.00 1.00 H new ATOM 1024 N ASP A 65 12.967 -9.919 -4.277 1.00 1.00 N ATOM 1025 CA ASP A 65 13.949 -10.589 -5.150 1.00 1.00 C ATOM 1026 C ASP A 65 14.470 -9.654 -6.283 1.00 1.00 C ATOM 1027 O ASP A 65 14.538 -9.979 -7.471 1.00 1.00 O ATOM 1028 CB ASP A 65 13.415 -11.987 -5.554 1.00 1.00 C ATOM 1029 CG ASP A 65 13.909 -13.083 -4.593 1.00 1.00 C ATOM 1030 OD1 ASP A 65 15.053 -13.017 -4.081 1.00 1.00 O ATOM 1031 OD2 ASP A 65 13.161 -14.031 -4.274 1.00 1.00 O ATOM 0 H ASP A 65 13.090 -10.215 -3.309 1.00 1.00 H new ATOM 0 HA ASP A 65 14.872 -10.797 -4.610 1.00 1.00 H new ATOM 0 HB2 ASP A 65 12.325 -11.973 -5.561 1.00 1.00 H new ATOM 0 HB3 ASP A 65 13.737 -12.220 -6.569 1.00 1.00 H new ATOM 1036 N GLN A 66 14.819 -8.435 -5.848 1.00 1.00 N ATOM 1037 CA GLN A 66 15.208 -7.224 -6.583 1.00 1.00 C ATOM 1038 C GLN A 66 14.299 -6.845 -7.789 1.00 1.00 C ATOM 1039 O GLN A 66 14.771 -6.616 -8.905 1.00 1.00 O ATOM 1040 CB GLN A 66 16.741 -7.206 -6.813 1.00 1.00 C ATOM 1041 CG GLN A 66 17.345 -5.794 -6.653 1.00 1.00 C ATOM 1042 CD GLN A 66 18.871 -5.767 -6.517 1.00 1.00 C ATOM 1043 OE1 GLN A 66 19.551 -4.952 -7.116 1.00 1.00 O ATOM 1044 NE2 GLN A 66 19.474 -6.594 -5.695 1.00 1.00 N ATOM 0 H GLN A 66 14.837 -8.253 -4.845 1.00 1.00 H new ATOM 0 HA GLN A 66 14.996 -6.365 -5.946 1.00 1.00 H new ATOM 0 HB2 GLN A 66 17.219 -7.885 -6.107 1.00 1.00 H new ATOM 0 HB3 GLN A 66 16.960 -7.580 -7.813 1.00 1.00 H new ATOM 0 HG2 GLN A 66 17.059 -5.191 -7.515 1.00 1.00 H new ATOM 0 HG3 GLN A 66 16.906 -5.322 -5.774 1.00 1.00 H new ATOM 0 HE21 GLN A 66 18.931 -7.287 -5.180 1.00 1.00 H new ATOM 0 HE22 GLN A 66 20.485 -6.543 -5.572 1.00 1.00 H new ATOM 1053 N GLN A 67 12.985 -6.783 -7.524 1.00 1.00 N ATOM 1054 CA GLN A 67 11.851 -6.306 -8.348 1.00 1.00 C ATOM 1055 C GLN A 67 10.826 -5.605 -7.419 1.00 1.00 C ATOM 1056 O GLN A 67 10.521 -6.095 -6.327 1.00 1.00 O ATOM 1057 CB GLN A 67 11.197 -7.489 -9.107 1.00 1.00 C ATOM 1058 CG GLN A 67 10.295 -7.136 -10.318 1.00 1.00 C ATOM 1059 CD GLN A 67 9.054 -6.295 -10.004 1.00 1.00 C ATOM 1060 OE1 GLN A 67 8.866 -5.188 -10.488 1.00 1.00 O ATOM 1061 NE2 GLN A 67 8.177 -6.736 -9.144 1.00 1.00 N ATOM 0 H GLN A 67 12.646 -7.104 -6.617 1.00 1.00 H new ATOM 0 HA GLN A 67 12.206 -5.596 -9.095 1.00 1.00 H new ATOM 0 HB2 GLN A 67 11.992 -8.148 -9.457 1.00 1.00 H new ATOM 0 HB3 GLN A 67 10.601 -8.060 -8.395 1.00 1.00 H new ATOM 0 HG2 GLN A 67 10.898 -6.600 -11.051 1.00 1.00 H new ATOM 0 HG3 GLN A 67 9.972 -8.064 -10.789 1.00 1.00 H new ATOM 0 HE21 GLN A 67 8.298 -7.655 -8.718 1.00 1.00 H new ATOM 0 HE22 GLN A 67 7.371 -6.162 -8.898 1.00 1.00 H new ATOM 1070 N HIS A 68 10.280 -4.451 -7.818 1.00 1.00 N ATOM 1071 CA HIS A 68 9.349 -3.642 -7.006 1.00 1.00 C ATOM 1072 C HIS A 68 8.038 -4.367 -6.619 1.00 1.00 C ATOM 1073 O HIS A 68 7.190 -4.647 -7.468 1.00 1.00 O ATOM 1074 CB HIS A 68 9.041 -2.320 -7.723 1.00 1.00 C ATOM 1075 CG HIS A 68 8.285 -1.340 -6.848 1.00 1.00 C ATOM 1076 ND1 HIS A 68 6.933 -1.364 -6.532 1.00 1.00 N ATOM 1077 CD2 HIS A 68 8.846 -0.285 -6.188 1.00 1.00 C ATOM 1078 CE1 HIS A 68 6.682 -0.313 -5.725 1.00 1.00 C ATOM 1079 NE2 HIS A 68 7.835 0.344 -5.496 1.00 1.00 N ATOM 0 H HIS A 68 10.473 -4.041 -8.732 1.00 1.00 H new ATOM 0 HA HIS A 68 9.862 -3.451 -6.063 1.00 1.00 H new ATOM 0 HB2 HIS A 68 9.975 -1.863 -8.050 1.00 1.00 H new ATOM 0 HB3 HIS A 68 8.456 -2.526 -8.620 1.00 1.00 H new ATOM 0 HD2 HIS A 68 9.887 0.002 -6.205 1.00 1.00 H new ATOM 0 HE1 HIS A 68 5.715 -0.043 -5.328 1.00 1.00 H new ATOM 0 HE2 HIS A 68 7.942 1.170 -4.908 1.00 1.00 H new ATOM 1088 N ILE A 69 7.866 -4.587 -5.316 1.00 1.00 N ATOM 1089 CA ILE A 69 6.667 -5.088 -4.615 1.00 1.00 C ATOM 1090 C ILE A 69 6.421 -4.083 -3.487 1.00 1.00 C ATOM 1091 O ILE A 69 7.094 -4.147 -2.460 1.00 1.00 O ATOM 1092 CB ILE A 69 6.814 -6.531 -4.065 1.00 1.00 C ATOM 1093 CG1 ILE A 69 7.029 -7.607 -5.157 1.00 1.00 C ATOM 1094 CG2 ILE A 69 5.608 -6.908 -3.168 1.00 1.00 C ATOM 1095 CD1 ILE A 69 5.896 -7.765 -6.181 1.00 1.00 C ATOM 0 H ILE A 69 8.625 -4.405 -4.659 1.00 1.00 H new ATOM 0 HA ILE A 69 5.829 -5.162 -5.308 1.00 1.00 H new ATOM 0 HB ILE A 69 7.726 -6.521 -3.468 1.00 1.00 H new ATOM 0 HG12 ILE A 69 7.947 -7.371 -5.695 1.00 1.00 H new ATOM 0 HG13 ILE A 69 7.185 -8.568 -4.666 1.00 1.00 H new ATOM 0 HG21 ILE A 69 5.735 -7.924 -2.795 1.00 1.00 H new ATOM 0 HG22 ILE A 69 5.550 -6.217 -2.327 1.00 1.00 H new ATOM 0 HG23 ILE A 69 4.689 -6.848 -3.750 1.00 1.00 H new ATOM 0 HD11 ILE A 69 6.157 -8.546 -6.895 1.00 1.00 H new ATOM 0 HD12 ILE A 69 4.975 -8.038 -5.666 1.00 1.00 H new ATOM 0 HD13 ILE A 69 5.750 -6.823 -6.710 1.00 1.00 H new ATOM 1107 N GLY A 70 5.507 -3.131 -3.712 1.00 1.00 N ATOM 1108 CA GLY A 70 5.156 -1.967 -2.881 1.00 1.00 C ATOM 1109 C GLY A 70 5.692 -1.974 -1.447 1.00 1.00 C ATOM 1110 O GLY A 70 6.459 -1.100 -1.056 1.00 1.00 O ATOM 0 H GLY A 70 4.940 -3.156 -4.559 1.00 1.00 H new ATOM 0 HA2 GLY A 70 5.521 -1.068 -3.379 1.00 1.00 H new ATOM 0 HA3 GLY A 70 4.069 -1.890 -2.840 1.00 1.00 H new ATOM 1114 N GLY A 71 5.284 -2.966 -0.658 1.00 1.00 N ATOM 1115 CA GLY A 71 5.525 -3.099 0.779 1.00 1.00 C ATOM 1116 C GLY A 71 4.217 -3.445 1.461 1.00 1.00 C ATOM 1117 O GLY A 71 3.369 -4.039 0.809 1.00 1.00 O ATOM 0 H GLY A 71 4.742 -3.747 -1.027 1.00 1.00 H new ATOM 0 HA2 GLY A 71 6.266 -3.875 0.968 1.00 1.00 H new ATOM 0 HA3 GLY A 71 5.927 -2.170 1.182 1.00 1.00 H new ATOM 1121 N TYR A 72 4.010 -3.044 2.717 1.00 1.00 N ATOM 1122 CA TYR A 72 2.873 -3.440 3.579 1.00 1.00 C ATOM 1123 C TYR A 72 1.557 -3.608 2.765 1.00 1.00 C ATOM 1124 O TYR A 72 0.986 -4.690 2.782 1.00 1.00 O ATOM 1125 CB TYR A 72 2.762 -2.436 4.747 1.00 1.00 C ATOM 1126 CG TYR A 72 1.778 -2.757 5.866 1.00 1.00 C ATOM 1127 CD1 TYR A 72 0.583 -3.494 5.671 1.00 1.00 C ATOM 1128 CD2 TYR A 72 2.230 -2.528 7.188 1.00 1.00 C ATOM 1129 CE1 TYR A 72 -0.037 -4.135 6.759 1.00 1.00 C ATOM 1130 CE2 TYR A 72 1.563 -3.109 8.286 1.00 1.00 C ATOM 1131 CZ TYR A 72 0.465 -3.943 8.056 1.00 1.00 C ATOM 1132 OH TYR A 72 -0.071 -4.641 9.076 1.00 1.00 O ATOM 0 H TYR A 72 4.652 -2.408 3.190 1.00 1.00 H new ATOM 0 HA TYR A 72 3.055 -4.427 4.004 1.00 1.00 H new ATOM 0 HB2 TYR A 72 3.751 -2.328 5.191 1.00 1.00 H new ATOM 0 HB3 TYR A 72 2.492 -1.466 4.331 1.00 1.00 H new ATOM 0 HD1 TYR A 72 0.148 -3.564 4.685 1.00 1.00 H new ATOM 0 HD2 TYR A 72 3.094 -1.902 7.357 1.00 1.00 H new ATOM 0 HE1 TYR A 72 -0.895 -4.771 6.597 1.00 1.00 H new ATOM 0 HE2 TYR A 72 1.897 -2.912 9.294 1.00 1.00 H new ATOM 0 HH TYR A 72 0.382 -4.400 9.911 1.00 1.00 H new ATOM 1142 N THR A 73 1.132 -2.608 1.972 1.00 1.00 N ATOM 1143 CA THR A 73 -0.009 -2.667 1.008 1.00 1.00 C ATOM 1144 C THR A 73 -0.031 -3.890 0.054 1.00 1.00 C ATOM 1145 O THR A 73 -0.993 -4.659 0.063 1.00 1.00 O ATOM 1146 CB THR A 73 -0.145 -1.343 0.228 1.00 1.00 C ATOM 1147 OG1 THR A 73 -1.325 -1.326 -0.536 1.00 1.00 O ATOM 1148 CG2 THR A 73 1.016 -0.976 -0.703 1.00 1.00 C ATOM 0 H THR A 73 1.585 -1.694 1.977 1.00 1.00 H new ATOM 0 HA THR A 73 -0.886 -2.812 1.639 1.00 1.00 H new ATOM 0 HB THR A 73 -0.153 -0.596 1.022 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.389 -0.476 -1.020 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.803 -0.026 -1.194 1.00 1.00 H new ATOM 0 HG22 THR A 73 1.934 -0.886 -0.122 1.00 1.00 H new ATOM 0 HG23 THR A 73 1.138 -1.754 -1.456 1.00 1.00 H new ATOM 1156 N ASP A 74 1.028 -4.098 -0.741 1.00 1.00 N ATOM 1157 CA ASP A 74 1.303 -5.266 -1.611 1.00 1.00 C ATOM 1158 C ASP A 74 1.515 -6.567 -0.788 1.00 1.00 C ATOM 1159 O ASP A 74 0.859 -7.581 -1.020 1.00 1.00 O ATOM 1160 CB ASP A 74 2.561 -4.968 -2.489 1.00 1.00 C ATOM 1161 CG ASP A 74 2.325 -4.972 -4.007 1.00 1.00 C ATOM 1162 OD1 ASP A 74 1.568 -5.844 -4.486 1.00 1.00 O ATOM 1163 OD2 ASP A 74 2.944 -4.139 -4.717 1.00 1.00 O ATOM 0 H ASP A 74 1.775 -3.406 -0.802 1.00 1.00 H new ATOM 0 HA ASP A 74 0.434 -5.429 -2.249 1.00 1.00 H new ATOM 0 HB2 ASP A 74 2.959 -3.994 -2.204 1.00 1.00 H new ATOM 0 HB3 ASP A 74 3.328 -5.707 -2.256 1.00 1.00 H new ATOM 1168 N PHE A 75 2.437 -6.525 0.182 1.00 1.00 N ATOM 1169 CA PHE A 75 2.791 -7.562 1.174 1.00 1.00 C ATOM 1170 C PHE A 75 1.584 -8.170 1.929 1.00 1.00 C ATOM 1171 O PHE A 75 1.535 -9.380 2.129 1.00 1.00 O ATOM 1172 CB PHE A 75 3.820 -6.971 2.174 1.00 1.00 C ATOM 1173 CG PHE A 75 4.996 -7.848 2.556 1.00 1.00 C ATOM 1174 CD1 PHE A 75 5.973 -8.146 1.580 1.00 1.00 C ATOM 1175 CD2 PHE A 75 5.220 -8.215 3.904 1.00 1.00 C ATOM 1176 CE1 PHE A 75 7.172 -8.783 1.953 1.00 1.00 C ATOM 1177 CE2 PHE A 75 6.422 -8.855 4.274 1.00 1.00 C ATOM 1178 CZ PHE A 75 7.402 -9.127 3.299 1.00 1.00 C ATOM 0 H PHE A 75 3.009 -5.690 0.308 1.00 1.00 H new ATOM 0 HA PHE A 75 3.221 -8.395 0.617 1.00 1.00 H new ATOM 0 HB2 PHE A 75 4.212 -6.047 1.749 1.00 1.00 H new ATOM 0 HB3 PHE A 75 3.288 -6.702 3.087 1.00 1.00 H new ATOM 0 HD1 PHE A 75 5.800 -7.885 0.546 1.00 1.00 H new ATOM 0 HD2 PHE A 75 4.469 -8.005 4.651 1.00 1.00 H new ATOM 0 HE1 PHE A 75 7.917 -9.008 1.205 1.00 1.00 H new ATOM 0 HE2 PHE A 75 6.590 -9.136 5.303 1.00 1.00 H new ATOM 0 HZ PHE A 75 8.330 -9.600 3.584 1.00 1.00 H new ATOM 1188 N ALA A 76 0.614 -7.364 2.384 1.00 1.00 N ATOM 1189 CA ALA A 76 -0.655 -7.774 3.011 1.00 1.00 C ATOM 1190 C ALA A 76 -1.587 -8.528 2.038 1.00 1.00 C ATOM 1191 O ALA A 76 -2.115 -9.578 2.410 1.00 1.00 O ATOM 1192 CB ALA A 76 -1.341 -6.544 3.632 1.00 1.00 C ATOM 0 H ALA A 76 0.697 -6.349 2.322 1.00 1.00 H new ATOM 0 HA ALA A 76 -0.427 -8.488 3.802 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -2.280 -6.847 4.096 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.688 -6.106 4.387 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -1.542 -5.808 2.854 1.00 1.00 H new ATOM 1198 N ALA A 77 -1.773 -8.022 0.811 1.00 1.00 N ATOM 1199 CA ALA A 77 -2.491 -8.702 -0.278 1.00 1.00 C ATOM 1200 C ALA A 77 -1.827 -10.049 -0.693 1.00 1.00 C ATOM 1201 O ALA A 77 -2.497 -11.077 -0.780 1.00 1.00 O ATOM 1202 CB ALA A 77 -2.597 -7.699 -1.440 1.00 1.00 C ATOM 0 H ALA A 77 -1.419 -7.104 0.541 1.00 1.00 H new ATOM 0 HA ALA A 77 -3.487 -8.996 0.053 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -3.125 -8.162 -2.274 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -3.144 -6.816 -1.110 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -1.597 -7.407 -1.761 1.00 1.00 H new ATOM 1208 N TRP A 78 -0.488 -10.087 -0.783 1.00 1.00 N ATOM 1209 CA TRP A 78 0.367 -11.274 -1.003 1.00 1.00 C ATOM 1210 C TRP A 78 0.235 -12.339 0.106 1.00 1.00 C ATOM 1211 O TRP A 78 -0.071 -13.497 -0.179 1.00 1.00 O ATOM 1212 CB TRP A 78 1.828 -10.816 -1.146 1.00 1.00 C ATOM 1213 CG TRP A 78 2.843 -11.900 -1.355 1.00 1.00 C ATOM 1214 CD1 TRP A 78 2.843 -12.798 -2.369 1.00 1.00 C ATOM 1215 CD2 TRP A 78 4.042 -12.178 -0.566 1.00 1.00 C ATOM 1216 NE1 TRP A 78 3.978 -13.583 -2.284 1.00 1.00 N ATOM 1217 CE2 TRP A 78 4.776 -13.215 -1.227 1.00 1.00 C ATOM 1218 CE3 TRP A 78 4.617 -11.619 0.603 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 6.048 -13.632 -0.798 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 5.890 -12.038 1.050 1.00 1.00 C ATOM 1221 CH2 TRP A 78 6.610 -13.026 0.344 1.00 1.00 C ATOM 0 H TRP A 78 0.067 -9.235 -0.699 1.00 1.00 H new ATOM 0 HA TRP A 78 0.028 -11.759 -1.919 1.00 1.00 H new ATOM 0 HB2 TRP A 78 1.889 -10.123 -1.985 1.00 1.00 H new ATOM 0 HB3 TRP A 78 2.102 -10.258 -0.250 1.00 1.00 H new ATOM 0 HD1 TRP A 78 2.077 -12.887 -3.125 1.00 1.00 H new ATOM 0 HE1 TRP A 78 4.197 -14.343 -2.928 1.00 1.00 H new ATOM 0 HE3 TRP A 78 4.077 -10.866 1.157 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 6.584 -14.402 -1.333 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 6.316 -11.599 1.940 1.00 1.00 H new ATOM 0 HH2 TRP A 78 7.594 -13.318 0.680 1.00 1.00 H new ATOM 1232 N VAL A 79 0.433 -11.953 1.378 1.00 1.00 N ATOM 1233 CA VAL A 79 0.196 -12.786 2.585 1.00 1.00 C ATOM 1234 C VAL A 79 -1.217 -13.377 2.588 1.00 1.00 C ATOM 1235 O VAL A 79 -1.362 -14.587 2.735 1.00 1.00 O ATOM 1236 CB VAL A 79 0.489 -12.002 3.890 1.00 1.00 C ATOM 1237 CG1 VAL A 79 -0.062 -12.653 5.171 1.00 1.00 C ATOM 1238 CG2 VAL A 79 2.009 -11.874 4.070 1.00 1.00 C ATOM 0 H VAL A 79 0.775 -11.020 1.610 1.00 1.00 H new ATOM 0 HA VAL A 79 0.898 -13.619 2.547 1.00 1.00 H new ATOM 0 HB VAL A 79 -0.013 -11.042 3.768 1.00 1.00 H new ATOM 0 HG11 VAL A 79 0.191 -12.034 6.032 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -1.146 -12.744 5.096 1.00 1.00 H new ATOM 0 HG13 VAL A 79 0.377 -13.643 5.294 1.00 1.00 H new ATOM 0 HG21 VAL A 79 2.222 -11.323 4.986 1.00 1.00 H new ATOM 0 HG22 VAL A 79 2.453 -12.868 4.132 1.00 1.00 H new ATOM 0 HG23 VAL A 79 2.432 -11.340 3.219 1.00 1.00 H new ATOM 1248 N LYS A 80 -2.253 -12.556 2.358 1.00 1.00 N ATOM 1249 CA LYS A 80 -3.665 -12.965 2.177 1.00 1.00 C ATOM 1250 C LYS A 80 -3.856 -14.012 1.064 1.00 1.00 C ATOM 1251 O LYS A 80 -4.424 -15.072 1.304 1.00 1.00 O ATOM 1252 CB LYS A 80 -4.512 -11.688 2.016 1.00 1.00 C ATOM 1253 CG LYS A 80 -6.038 -11.890 2.024 1.00 1.00 C ATOM 1254 CD LYS A 80 -6.778 -10.659 2.584 1.00 1.00 C ATOM 1255 CE LYS A 80 -7.099 -10.707 4.092 1.00 1.00 C ATOM 1256 NZ LYS A 80 -5.949 -11.072 4.955 1.00 1.00 N ATOM 0 H LYS A 80 -2.131 -11.546 2.289 1.00 1.00 H new ATOM 0 HA LYS A 80 -4.016 -13.498 3.061 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -4.252 -10.999 2.819 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -4.233 -11.206 1.079 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -6.383 -12.091 1.010 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -6.285 -12.766 2.624 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -6.174 -9.773 2.387 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -7.712 -10.537 2.035 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -7.474 -9.732 4.402 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -7.903 -11.425 4.257 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -6.255 -11.098 5.949 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -5.591 -12.009 4.679 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -5.193 -10.366 4.843 1.00 1.00 H new ATOM 1270 N GLU A 81 -3.306 -13.760 -0.124 1.00 1.00 N ATOM 1271 CA GLU A 81 -3.216 -14.687 -1.277 1.00 1.00 C ATOM 1272 C GLU A 81 -2.423 -15.996 -1.025 1.00 1.00 C ATOM 1273 O GLU A 81 -2.526 -16.919 -1.837 1.00 1.00 O ATOM 1274 CB GLU A 81 -2.644 -13.918 -2.495 1.00 1.00 C ATOM 1275 CG GLU A 81 -3.680 -12.941 -3.084 1.00 1.00 C ATOM 1276 CD GLU A 81 -3.090 -11.697 -3.765 1.00 1.00 C ATOM 1277 OE1 GLU A 81 -1.994 -11.748 -4.373 1.00 1.00 O ATOM 1278 OE2 GLU A 81 -3.781 -10.649 -3.725 1.00 1.00 O ATOM 0 H GLU A 81 -2.884 -12.854 -0.330 1.00 1.00 H new ATOM 0 HA GLU A 81 -4.232 -15.031 -1.469 1.00 1.00 H new ATOM 0 HB2 GLU A 81 -1.753 -13.367 -2.193 1.00 1.00 H new ATOM 0 HB3 GLU A 81 -2.335 -14.628 -3.262 1.00 1.00 H new ATOM 0 HG2 GLU A 81 -4.291 -13.478 -3.810 1.00 1.00 H new ATOM 0 HG3 GLU A 81 -4.346 -12.617 -2.284 1.00 1.00 H new ATOM 1285 N ASN A 82 -1.637 -16.101 0.059 1.00 1.00 N ATOM 1286 CA ASN A 82 -0.944 -17.307 0.543 1.00 1.00 C ATOM 1287 C ASN A 82 -1.677 -18.024 1.712 1.00 1.00 C ATOM 1288 O ASN A 82 -2.056 -19.191 1.599 1.00 1.00 O ATOM 1289 CB ASN A 82 0.506 -16.917 0.909 1.00 1.00 C ATOM 1290 CG ASN A 82 1.432 -16.833 -0.295 1.00 1.00 C ATOM 1291 OD1 ASN A 82 2.119 -17.780 -0.646 1.00 1.00 O ATOM 1292 ND2 ASN A 82 1.475 -15.723 -0.980 1.00 1.00 N ATOM 0 H ASN A 82 -1.457 -15.296 0.659 1.00 1.00 H new ATOM 0 HA ASN A 82 -0.939 -18.047 -0.257 1.00 1.00 H new ATOM 0 HB2 ASN A 82 0.497 -15.954 1.419 1.00 1.00 H new ATOM 0 HB3 ASN A 82 0.904 -17.647 1.614 1.00 1.00 H new ATOM 0 HD21 ASN A 82 2.078 -15.653 -1.800 1.00 1.00 H new ATOM 0 HD22 ASN A 82 0.905 -14.926 -0.696 1.00 1.00 H new ATOM 1299 N LEU A 83 -1.878 -17.326 2.837 1.00 1.00 N ATOM 1300 CA LEU A 83 -2.476 -17.803 4.090 1.00 1.00 C ATOM 1301 C LEU A 83 -4.009 -17.974 4.000 1.00 1.00 C ATOM 1302 O LEU A 83 -4.513 -19.097 4.085 1.00 1.00 O ATOM 1303 CB LEU A 83 -2.069 -16.851 5.238 1.00 1.00 C ATOM 1304 CG LEU A 83 -0.559 -16.569 5.428 1.00 1.00 C ATOM 1305 CD1 LEU A 83 -0.333 -15.874 6.776 1.00 1.00 C ATOM 1306 CD2 LEU A 83 0.323 -17.819 5.361 1.00 1.00 C ATOM 0 H LEU A 83 -1.608 -16.344 2.900 1.00 1.00 H new ATOM 0 HA LEU A 83 -2.089 -18.802 4.293 1.00 1.00 H new ATOM 0 HB2 LEU A 83 -2.572 -15.897 5.079 1.00 1.00 H new ATOM 0 HB3 LEU A 83 -2.455 -17.264 6.170 1.00 1.00 H new ATOM 0 HG LEU A 83 -0.264 -15.931 4.595 1.00 1.00 H new ATOM 0 HD11 LEU A 83 0.730 -15.676 6.909 1.00 1.00 H new ATOM 0 HD12 LEU A 83 -0.883 -14.933 6.797 1.00 1.00 H new ATOM 0 HD13 LEU A 83 -0.686 -16.518 7.581 1.00 1.00 H new ATOM 0 HD21 LEU A 83 1.366 -17.536 5.503 1.00 1.00 H new ATOM 0 HD22 LEU A 83 0.026 -18.516 6.144 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.206 -18.295 4.388 1.00 1.00 H new ATOM 1318 N ASP A 84 -4.748 -16.878 3.791 1.00 1.00 N ATOM 1319 CA ASP A 84 -6.210 -16.817 3.582 1.00 1.00 C ATOM 1320 C ASP A 84 -6.699 -17.392 2.217 1.00 1.00 C ATOM 1321 O ASP A 84 -7.887 -17.302 1.895 1.00 1.00 O ATOM 1322 CB ASP A 84 -6.689 -15.366 3.773 1.00 1.00 C ATOM 1323 CG ASP A 84 -6.171 -14.680 5.045 1.00 1.00 C ATOM 1324 OD1 ASP A 84 -6.584 -15.047 6.168 1.00 1.00 O ATOM 1325 OD2 ASP A 84 -5.339 -13.750 4.963 1.00 1.00 O ATOM 0 H ASP A 84 -4.322 -15.952 3.760 1.00 1.00 H new ATOM 0 HA ASP A 84 -6.658 -17.471 4.331 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -6.379 -14.779 2.908 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -7.779 -15.357 3.790 1.00 1.00 H new ATOM 1330 N ALA A 85 -5.798 -17.994 1.423 1.00 1.00 N ATOM 1331 CA ALA A 85 -5.978 -18.592 0.089 1.00 1.00 C ATOM 1332 C ALA A 85 -7.103 -19.644 -0.018 1.00 1.00 C ATOM 1333 O ALA A 85 -7.240 -20.521 0.867 1.00 1.00 O ATOM 1334 CB ALA A 85 -4.616 -19.162 -0.351 1.00 1.00 C ATOM 1335 OXT ALA A 85 -7.830 -19.592 -1.037 1.00 1.00 O ATOM 0 H ALA A 85 -4.829 -18.083 1.730 1.00 1.00 H new ATOM 0 HA ALA A 85 -6.317 -17.804 -0.584 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -4.713 -19.614 -1.338 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -3.881 -18.358 -0.390 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -4.290 -19.917 0.364 1.00 1.00 H new ATOM 1577 N GLU B 144 -2.072 1.757 2.082 1.00 1.00 N ATOM 1578 CA GLU B 144 -1.169 2.259 1.037 1.00 1.00 C ATOM 1579 C GLU B 144 -0.329 3.517 1.376 1.00 1.00 C ATOM 1580 O GLU B 144 0.788 3.380 1.870 1.00 1.00 O ATOM 1581 CB GLU B 144 -2.009 2.302 -0.267 1.00 1.00 C ATOM 1582 CG GLU B 144 -1.272 2.585 -1.584 1.00 1.00 C ATOM 1583 CD GLU B 144 -1.030 4.074 -1.872 1.00 1.00 C ATOM 1584 OE1 GLU B 144 -1.942 4.899 -1.632 1.00 1.00 O ATOM 1585 OE2 GLU B 144 0.072 4.430 -2.354 1.00 1.00 O ATOM 0 HA GLU B 144 -0.328 1.577 0.914 1.00 1.00 H new ATOM 0 HB2 GLU B 144 -2.520 1.344 -0.368 1.00 1.00 H new ATOM 0 HB3 GLU B 144 -2.780 3.063 -0.144 1.00 1.00 H new ATOM 0 HG2 GLU B 144 -0.311 2.071 -1.565 1.00 1.00 H new ATOM 0 HG3 GLU B 144 -1.846 2.158 -2.406 1.00 1.00 H new ATOM 1592 N SER B 145 -0.818 4.719 1.052 1.00 1.00 N ATOM 1593 CA SER B 145 -0.132 6.031 1.105 1.00 1.00 C ATOM 1594 C SER B 145 0.641 6.435 2.379 1.00 1.00 C ATOM 1595 O SER B 145 0.474 5.910 3.481 1.00 1.00 O ATOM 1596 CB SER B 145 -1.101 7.155 0.697 1.00 1.00 C ATOM 1597 OG SER B 145 -0.363 8.307 0.330 1.00 1.00 O ATOM 0 H SER B 145 -1.777 4.816 0.719 1.00 1.00 H new ATOM 0 HA SER B 145 0.677 5.886 0.389 1.00 1.00 H new ATOM 0 HB2 SER B 145 -1.723 6.828 -0.136 1.00 1.00 H new ATOM 0 HB3 SER B 145 -1.772 7.388 1.524 1.00 1.00 H new ATOM 0 HG SER B 145 -0.981 9.022 0.069 1.00 1.00 H new ATOM 1603 N GLY B 146 1.479 7.463 2.208 1.00 1.00 N ATOM 1604 CA GLY B 146 2.286 8.166 3.217 1.00 1.00 C ATOM 1605 C GLY B 146 3.155 9.333 2.710 1.00 1.00 C ATOM 1606 O GLY B 146 3.797 9.991 3.526 1.00 1.00 O ATOM 0 H GLY B 146 1.624 7.861 1.280 1.00 1.00 H new ATOM 0 HA2 GLY B 146 1.614 8.549 3.985 1.00 1.00 H new ATOM 0 HA3 GLY B 146 2.939 7.439 3.699 1.00 1.00 H new ATOM 1610 N ALA B 147 3.262 9.559 1.385 1.00 1.00 N ATOM 1611 CA ALA B 147 3.935 10.708 0.722 1.00 1.00 C ATOM 1612 C ALA B 147 5.420 10.971 1.154 1.00 1.00 C ATOM 1613 O ALA B 147 5.948 12.079 1.051 1.00 1.00 O ATOM 1614 CB ALA B 147 2.993 11.922 0.812 1.00 1.00 C ATOM 0 H ALA B 147 2.861 8.912 0.706 1.00 1.00 H new ATOM 0 HA ALA B 147 4.094 10.460 -0.328 1.00 1.00 H new ATOM 0 HB1 ALA B 147 3.461 12.782 0.333 1.00 1.00 H new ATOM 0 HB2 ALA B 147 2.054 11.692 0.308 1.00 1.00 H new ATOM 0 HB3 ALA B 147 2.796 12.153 1.859 1.00 1.00 H new ATOM 1620 N CYS B 148 6.060 9.931 1.692 1.00 1.00 N ATOM 1621 CA CYS B 148 7.368 9.790 2.356 1.00 1.00 C ATOM 1622 C CYS B 148 8.584 9.839 1.395 1.00 1.00 C ATOM 1623 O CYS B 148 8.552 9.224 0.325 1.00 1.00 O ATOM 1624 CB CYS B 148 7.234 8.437 3.063 1.00 1.00 C ATOM 1625 SG CYS B 148 8.375 7.884 4.339 1.00 1.00 S ATOM 0 H CYS B 148 5.600 9.021 1.669 1.00 1.00 H new ATOM 0 HA CYS B 148 7.578 10.623 3.027 1.00 1.00 H new ATOM 0 HB2 CYS B 148 6.239 8.417 3.507 1.00 1.00 H new ATOM 0 HB3 CYS B 148 7.250 7.677 2.282 1.00 1.00 H new ATOM 1630 N LYS B 149 9.665 10.529 1.810 1.00 1.00 N ATOM 1631 CA LYS B 149 10.906 10.895 1.060 1.00 1.00 C ATOM 1632 C LYS B 149 11.908 11.774 1.858 1.00 1.00 C ATOM 1633 O LYS B 149 11.592 12.233 2.960 1.00 1.00 O ATOM 1634 CB LYS B 149 10.528 11.584 -0.285 1.00 1.00 C ATOM 1635 CG LYS B 149 9.552 12.788 -0.226 1.00 1.00 C ATOM 1636 CD LYS B 149 8.816 13.089 -1.559 1.00 1.00 C ATOM 1637 CE LYS B 149 9.131 14.434 -2.241 1.00 1.00 C ATOM 1638 NZ LYS B 149 10.318 14.363 -3.128 1.00 1.00 N ATOM 0 H LYS B 149 9.706 10.882 2.766 1.00 1.00 H new ATOM 0 HA LYS B 149 11.431 9.958 0.874 1.00 1.00 H new ATOM 0 HB2 LYS B 149 11.449 11.921 -0.760 1.00 1.00 H new ATOM 0 HB3 LYS B 149 10.091 10.829 -0.938 1.00 1.00 H new ATOM 0 HG2 LYS B 149 8.809 12.599 0.549 1.00 1.00 H new ATOM 0 HG3 LYS B 149 10.108 13.676 0.075 1.00 1.00 H new ATOM 0 HD2 LYS B 149 9.048 12.289 -2.263 1.00 1.00 H new ATOM 0 HD3 LYS B 149 7.743 13.047 -1.371 1.00 1.00 H new ATOM 0 HE2 LYS B 149 8.266 14.753 -2.823 1.00 1.00 H new ATOM 0 HE3 LYS B 149 9.298 15.193 -1.477 1.00 1.00 H new ATOM 0 HZ1 LYS B 149 10.357 15.214 -3.724 1.00 1.00 H new ATOM 0 HZ2 LYS B 149 11.180 14.305 -2.550 1.00 1.00 H new ATOM 0 HZ3 LYS B 149 10.249 13.520 -3.733 1.00 1.00 H new ATOM 1652 N ILE B 150 13.127 11.954 1.310 1.00 1.00 N ATOM 1653 CA ILE B 150 14.245 12.857 1.734 1.00 1.00 C ATOM 1654 C ILE B 150 13.826 14.311 2.045 1.00 1.00 C ATOM 1655 O ILE B 150 12.843 14.820 1.458 1.00 1.00 O ATOM 1656 CB ILE B 150 15.418 12.762 0.706 1.00 1.00 C ATOM 1657 CG1 ILE B 150 16.760 13.398 1.148 1.00 1.00 C ATOM 1658 CG2 ILE B 150 15.037 13.392 -0.647 1.00 1.00 C ATOM 1659 CD1 ILE B 150 17.442 12.667 2.305 1.00 1.00 C ATOM 1660 OXT ILE B 150 14.467 14.931 2.922 1.00 1.00 O ATOM 0 H ILE B 150 13.391 11.425 0.479 1.00 1.00 H new ATOM 0 HA ILE B 150 14.594 12.494 2.701 1.00 1.00 H new ATOM 0 HB ILE B 150 15.579 11.687 0.627 1.00 1.00 H new ATOM 0 HG12 ILE B 150 17.438 13.420 0.295 1.00 1.00 H new ATOM 0 HG13 ILE B 150 16.581 14.433 1.440 1.00 1.00 H new ATOM 0 HG21 ILE B 150 15.877 13.308 -1.337 1.00 1.00 H new ATOM 0 HG22 ILE B 150 14.174 12.871 -1.061 1.00 1.00 H new ATOM 0 HG23 ILE B 150 14.791 14.444 -0.502 1.00 1.00 H new ATOM 0 HD11 ILE B 150 18.374 13.173 2.556 1.00 1.00 H new ATOM 0 HD12 ILE B 150 16.784 12.667 3.174 1.00 1.00 H new ATOM 0 HD13 ILE B 150 17.654 11.639 2.011 1.00 1.00 H new