USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 869 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 Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 88:sc= 1.27 USER MOD Single : A 30 ASN : amide:sc= 0.119 K(o=0.12,f=-3.8!) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0.558 (180deg=0.489) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -0.113 (180deg=-0.501) USER MOD Single : A 41 MET CE :methyl -162:sc= -0.113 (180deg=-0.58) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.062) USER MOD Single : A 51 THR OG1 : rot 28:sc= 0.0611 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ -154:sc= -0.856! (180deg=-2.29!) USER MOD Single : A 75 LYS NZ :NH3+ 137:sc= 0.244 (180deg=-0.892!) USER MOD Single : A 81 THR OG1 : rot 30:sc= 0.324 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= -0.044 (180deg=-0.259) USER MOD Single : A 90 THR OG1 : rot 68:sc= 1.22 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0509) USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= -0.02 (180deg=-0.195) USER MOD Single : A 101 LYS NZ :NH3+ 162:sc= -0.0659 (180deg=-0.374) USER MOD Single : A 103 ASN : amide:sc= 1.17 K(o=1.2,f=-0.88) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 9:sc= 1.2 USER MOD Single : A 111 SER OG : rot 180:sc= -0.683 USER MOD Single : A 116 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.04) USER MOD Single : A 120 LYS NZ :NH3+ -161:sc= -1.01 (180deg=-2.17!) USER MOD Single : A 123 SER OG : rot 72:sc= 0.72 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 4.452 -17.451 0.455 1.00 1.82 N ATOM 2 CA MET A 21 3.887 -16.227 1.070 1.00 1.48 C ATOM 3 C MET A 21 4.250 -15.010 0.232 1.00 1.22 C ATOM 4 O MET A 21 5.422 -14.776 -0.062 1.00 1.47 O ATOM 5 CB MET A 21 4.408 -16.062 2.500 1.00 1.86 C ATOM 6 CG MET A 21 3.824 -14.870 3.242 1.00 1.95 C ATOM 7 SD MET A 21 4.352 -14.806 4.967 1.00 2.87 S ATOM 8 CE MET A 21 3.520 -13.320 5.522 1.00 3.09 C ATOM 0 HA MET A 21 2.802 -16.319 1.106 1.00 1.48 H new ATOM 0 HB2 MET A 21 4.187 -16.969 3.062 1.00 1.86 H new ATOM 0 HB3 MET A 21 5.493 -15.961 2.470 1.00 1.86 H new ATOM 0 HG2 MET A 21 4.123 -13.950 2.739 1.00 1.95 H new ATOM 0 HG3 MET A 21 2.736 -14.917 3.200 1.00 1.95 H new ATOM 0 HE1 MET A 21 3.749 -13.146 6.573 1.00 3.09 H new ATOM 0 HE2 MET A 21 3.860 -12.470 4.931 1.00 3.09 H new ATOM 0 HE3 MET A 21 2.443 -13.439 5.400 1.00 3.09 H new ATOM 17 N ARG A 22 3.247 -14.242 -0.158 1.00 0.88 N ATOM 18 CA ARG A 22 3.466 -13.101 -1.030 1.00 0.73 C ATOM 19 C ARG A 22 3.183 -11.795 -0.296 1.00 0.55 C ATOM 20 O ARG A 22 2.107 -11.610 0.274 1.00 0.56 O ATOM 21 CB ARG A 22 2.581 -13.210 -2.277 1.00 0.86 C ATOM 22 CG ARG A 22 2.939 -12.220 -3.376 1.00 1.33 C ATOM 23 CD ARG A 22 4.369 -12.421 -3.854 1.00 1.33 C ATOM 24 NE ARG A 22 4.685 -11.601 -5.021 1.00 1.91 N ATOM 25 CZ ARG A 22 5.923 -11.276 -5.392 1.00 2.43 C ATOM 26 NH1 ARG A 22 6.968 -11.641 -4.654 1.00 2.62 N ATOM 27 NH2 ARG A 22 6.114 -10.567 -6.494 1.00 3.31 N ATOM 0 H ARG A 22 2.275 -14.387 0.115 1.00 0.88 H new ATOM 0 HA ARG A 22 4.512 -13.101 -1.337 1.00 0.73 H new ATOM 0 HB2 ARG A 22 2.654 -14.222 -2.675 1.00 0.86 H new ATOM 0 HB3 ARG A 22 1.542 -13.056 -1.987 1.00 0.86 H new ATOM 0 HG2 ARG A 22 2.253 -12.339 -4.214 1.00 1.33 H new ATOM 0 HG3 ARG A 22 2.816 -11.202 -3.006 1.00 1.33 H new ATOM 0 HD2 ARG A 22 5.058 -12.178 -3.045 1.00 1.33 H new ATOM 0 HD3 ARG A 22 4.523 -13.472 -4.099 1.00 1.33 H new ATOM 0 HE ARG A 22 3.910 -11.256 -5.587 1.00 1.91 H new ATOM 0 HH11 ARG A 22 6.825 -12.174 -3.796 1.00 2.62 H new ATOM 0 HH12 ARG A 22 7.912 -11.388 -4.946 1.00 2.62 H new ATOM 0 HH21 ARG A 22 5.315 -10.272 -7.055 1.00 3.31 H new ATOM 0 HH22 ARG A 22 7.060 -10.316 -6.781 1.00 3.31 H new ATOM 41 N LEU A 23 4.162 -10.905 -0.296 1.00 0.51 N ATOM 42 CA LEU A 23 3.993 -9.587 0.291 1.00 0.43 C ATOM 43 C LEU A 23 3.955 -8.539 -0.816 1.00 0.37 C ATOM 44 O LEU A 23 4.872 -8.449 -1.638 1.00 0.40 O ATOM 45 CB LEU A 23 5.115 -9.267 1.285 1.00 0.58 C ATOM 46 CG LEU A 23 5.175 -10.147 2.540 1.00 1.05 C ATOM 47 CD1 LEU A 23 5.819 -11.493 2.243 1.00 1.76 C ATOM 48 CD2 LEU A 23 5.927 -9.433 3.650 1.00 1.55 C ATOM 0 H LEU A 23 5.085 -11.073 -0.697 1.00 0.51 H new ATOM 0 HA LEU A 23 3.052 -9.574 0.841 1.00 0.43 H new ATOM 0 HB2 LEU A 23 6.069 -9.347 0.764 1.00 0.58 H new ATOM 0 HB3 LEU A 23 5.010 -8.228 1.599 1.00 0.58 H new ATOM 0 HG LEU A 23 4.152 -10.332 2.869 1.00 1.05 H new ATOM 0 HD11 LEU A 23 5.846 -12.092 3.153 1.00 1.76 H new ATOM 0 HD12 LEU A 23 5.238 -12.014 1.482 1.00 1.76 H new ATOM 0 HD13 LEU A 23 6.835 -11.338 1.880 1.00 1.76 H new ATOM 0 HD21 LEU A 23 5.961 -10.070 4.534 1.00 1.55 H new ATOM 0 HD22 LEU A 23 6.943 -9.215 3.320 1.00 1.55 H new ATOM 0 HD23 LEU A 23 5.417 -8.501 3.894 1.00 1.55 H new ATOM 60 N VAL A 24 2.885 -7.762 -0.840 1.00 0.35 N ATOM 61 CA VAL A 24 2.654 -6.803 -1.907 1.00 0.37 C ATOM 62 C VAL A 24 2.544 -5.388 -1.345 1.00 0.38 C ATOM 63 O VAL A 24 2.079 -5.191 -0.223 1.00 0.42 O ATOM 64 CB VAL A 24 1.367 -7.163 -2.684 1.00 0.42 C ATOM 65 CG1 VAL A 24 1.133 -6.216 -3.850 1.00 0.46 C ATOM 66 CG2 VAL A 24 1.430 -8.604 -3.169 1.00 0.45 C ATOM 0 H VAL A 24 2.157 -7.778 -0.126 1.00 0.35 H new ATOM 0 HA VAL A 24 3.503 -6.842 -2.590 1.00 0.37 H new ATOM 0 HB VAL A 24 0.524 -7.056 -2.001 1.00 0.42 H new ATOM 0 HG11 VAL A 24 0.220 -6.501 -4.372 1.00 0.46 H new ATOM 0 HG12 VAL A 24 1.035 -5.197 -3.477 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.976 -6.271 -4.538 1.00 0.46 H new ATOM 0 HG21 VAL A 24 0.518 -8.844 -3.715 1.00 0.45 H new ATOM 0 HG22 VAL A 24 2.290 -8.729 -3.827 1.00 0.45 H new ATOM 0 HG23 VAL A 24 1.528 -9.272 -2.313 1.00 0.45 H new ATOM 76 N VAL A 25 2.993 -4.409 -2.117 1.00 0.39 N ATOM 77 CA VAL A 25 2.920 -3.017 -1.712 1.00 0.41 C ATOM 78 C VAL A 25 2.207 -2.201 -2.781 1.00 0.39 C ATOM 79 O VAL A 25 2.571 -2.244 -3.952 1.00 0.42 O ATOM 80 CB VAL A 25 4.326 -2.419 -1.479 1.00 0.46 C ATOM 81 CG1 VAL A 25 4.222 -1.002 -0.944 1.00 0.51 C ATOM 82 CG2 VAL A 25 5.134 -3.286 -0.526 1.00 0.52 C ATOM 0 H VAL A 25 3.414 -4.557 -3.034 1.00 0.39 H new ATOM 0 HA VAL A 25 2.365 -2.976 -0.775 1.00 0.41 H new ATOM 0 HB VAL A 25 4.843 -2.392 -2.438 1.00 0.46 H new ATOM 0 HG11 VAL A 25 5.222 -0.598 -0.786 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.689 -0.380 -1.663 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.680 -1.009 0.002 1.00 0.51 H new ATOM 0 HG21 VAL A 25 6.119 -2.844 -0.378 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.618 -3.352 0.432 1.00 0.52 H new ATOM 0 HG23 VAL A 25 5.244 -4.285 -0.948 1.00 0.52 H new ATOM 92 N LEU A 26 1.182 -1.474 -2.383 1.00 0.40 N ATOM 93 CA LEU A 26 0.492 -0.581 -3.291 1.00 0.38 C ATOM 94 C LEU A 26 0.650 0.854 -2.822 1.00 0.37 C ATOM 95 O LEU A 26 0.302 1.191 -1.692 1.00 0.48 O ATOM 96 CB LEU A 26 -0.989 -0.936 -3.408 1.00 0.46 C ATOM 97 CG LEU A 26 -1.397 -1.554 -4.745 1.00 0.56 C ATOM 98 CD1 LEU A 26 -1.064 -3.035 -4.794 1.00 1.15 C ATOM 99 CD2 LEU A 26 -2.869 -1.335 -5.000 1.00 1.33 C ATOM 0 H LEU A 26 0.808 -1.485 -1.434 1.00 0.40 H new ATOM 0 HA LEU A 26 0.939 -0.692 -4.279 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.245 -1.632 -2.609 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.578 -0.033 -3.246 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.827 -1.058 -5.530 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -1.367 -3.444 -5.758 1.00 1.15 H new ATOM 0 HD12 LEU A 26 0.010 -3.171 -4.663 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -1.595 -3.554 -3.996 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -3.143 -1.781 -5.956 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -3.449 -1.800 -4.203 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -3.079 -0.266 -5.025 1.00 1.33 H new ATOM 111 N ILE A 27 1.182 1.693 -3.688 1.00 0.33 N ATOM 112 CA ILE A 27 1.454 3.072 -3.332 1.00 0.36 C ATOM 113 C ILE A 27 0.688 4.020 -4.250 1.00 0.39 C ATOM 114 O ILE A 27 0.457 3.720 -5.427 1.00 0.40 O ATOM 115 CB ILE A 27 2.969 3.378 -3.404 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.254 4.807 -2.927 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.490 3.169 -4.819 1.00 1.32 C ATOM 118 CD1 ILE A 27 4.718 5.180 -2.953 1.00 1.36 C ATOM 0 H ILE A 27 1.435 1.444 -4.644 1.00 0.33 H new ATOM 0 HA ILE A 27 1.121 3.224 -2.305 1.00 0.36 H new ATOM 0 HB ILE A 27 3.491 2.687 -2.742 1.00 0.44 H new ATOM 0 HG12 ILE A 27 2.700 5.506 -3.553 1.00 0.93 H new ATOM 0 HG13 ILE A 27 2.878 4.922 -1.911 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.557 3.389 -4.850 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.324 2.134 -5.119 1.00 1.32 H new ATOM 0 HG23 ILE A 27 2.962 3.834 -5.503 1.00 1.32 H new ATOM 0 HD11 ILE A 27 4.839 6.205 -2.602 1.00 1.36 H new ATOM 0 HD12 ILE A 27 5.277 4.506 -2.304 1.00 1.36 H new ATOM 0 HD13 ILE A 27 5.096 5.099 -3.972 1.00 1.36 H new ATOM 130 N VAL A 28 0.289 5.157 -3.704 1.00 0.48 N ATOM 131 CA VAL A 28 -0.385 6.180 -4.478 1.00 0.56 C ATOM 132 C VAL A 28 0.655 7.108 -5.099 1.00 0.86 C ATOM 133 O VAL A 28 1.610 7.512 -4.435 1.00 1.37 O ATOM 134 CB VAL A 28 -1.363 6.993 -3.598 1.00 0.77 C ATOM 135 CG1 VAL A 28 -2.067 8.062 -4.413 1.00 1.12 C ATOM 136 CG2 VAL A 28 -2.381 6.073 -2.939 1.00 1.17 C ATOM 0 H VAL A 28 0.423 5.393 -2.721 1.00 0.48 H new ATOM 0 HA VAL A 28 -0.966 5.697 -5.264 1.00 0.56 H new ATOM 0 HB VAL A 28 -0.783 7.486 -2.818 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -2.749 8.619 -3.771 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -1.328 8.743 -4.835 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -2.630 7.593 -5.219 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -3.060 6.663 -2.324 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -2.949 5.549 -3.708 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -1.863 5.347 -2.313 1.00 1.17 H new ATOM 146 N SER A 29 0.484 7.406 -6.380 1.00 0.85 N ATOM 147 CA SER A 29 1.447 8.212 -7.117 1.00 1.25 C ATOM 148 C SER A 29 1.610 9.602 -6.503 1.00 0.83 C ATOM 149 O SER A 29 0.673 10.403 -6.482 1.00 1.53 O ATOM 150 CB SER A 29 1.023 8.326 -8.581 1.00 2.38 C ATOM 151 OG SER A 29 0.983 7.047 -9.198 1.00 3.23 O ATOM 0 H SER A 29 -0.317 7.100 -6.932 1.00 0.85 H new ATOM 0 HA SER A 29 2.414 7.712 -7.059 1.00 1.25 H new ATOM 0 HB2 SER A 29 0.041 8.795 -8.644 1.00 2.38 H new ATOM 0 HB3 SER A 29 1.720 8.971 -9.116 1.00 2.38 H new ATOM 0 HG SER A 29 0.098 6.648 -9.067 1.00 3.23 H new ATOM 157 N ASN A 30 2.804 9.862 -5.997 1.00 1.19 N ATOM 158 CA ASN A 30 3.142 11.142 -5.391 1.00 1.67 C ATOM 159 C ASN A 30 4.502 11.583 -5.916 1.00 1.19 C ATOM 160 O ASN A 30 5.012 10.976 -6.858 1.00 1.38 O ATOM 161 CB ASN A 30 3.151 11.034 -3.862 1.00 2.93 C ATOM 162 CG ASN A 30 2.980 12.378 -3.167 1.00 3.86 C ATOM 163 OD1 ASN A 30 3.956 13.063 -2.851 1.00 4.32 O ATOM 164 ND2 ASN A 30 1.737 12.768 -2.936 1.00 4.58 N ATOM 0 H ASN A 30 3.571 9.189 -5.994 1.00 1.19 H new ATOM 0 HA ASN A 30 2.391 11.886 -5.658 1.00 1.67 H new ATOM 0 HB2 ASN A 30 2.351 10.364 -3.546 1.00 2.93 H new ATOM 0 HB3 ASN A 30 4.090 10.583 -3.541 1.00 2.93 H new ATOM 0 HD21 ASN A 30 1.560 13.664 -2.482 1.00 4.58 H new ATOM 0 HD22 ASN A 30 0.956 12.173 -3.212 1.00 4.58 H new ATOM 171 N ASP A 31 5.063 12.645 -5.344 1.00 1.45 N ATOM 172 CA ASP A 31 6.343 13.195 -5.799 1.00 1.18 C ATOM 173 C ASP A 31 7.406 12.110 -6.010 1.00 0.94 C ATOM 174 O ASP A 31 7.462 11.112 -5.288 1.00 1.28 O ATOM 175 CB ASP A 31 6.859 14.250 -4.815 1.00 1.61 C ATOM 176 CG ASP A 31 8.242 14.765 -5.181 1.00 1.74 C ATOM 177 OD1 ASP A 31 8.371 15.491 -6.191 1.00 2.03 O ATOM 178 OD2 ASP A 31 9.205 14.449 -4.456 1.00 2.29 O ATOM 0 H ASP A 31 4.650 13.147 -4.558 1.00 1.45 H new ATOM 0 HA ASP A 31 6.157 13.663 -6.766 1.00 1.18 H new ATOM 0 HB2 ASP A 31 6.160 15.086 -4.785 1.00 1.61 H new ATOM 0 HB3 ASP A 31 6.888 13.823 -3.813 1.00 1.61 H new ATOM 183 N LYS A 32 8.232 12.353 -7.023 1.00 0.79 N ATOM 184 CA LYS A 32 9.261 11.433 -7.512 1.00 0.82 C ATOM 185 C LYS A 32 9.968 10.622 -6.417 1.00 0.66 C ATOM 186 O LYS A 32 10.028 9.393 -6.505 1.00 0.68 O ATOM 187 CB LYS A 32 10.287 12.244 -8.308 1.00 1.24 C ATOM 188 CG LYS A 32 10.754 13.489 -7.568 1.00 1.77 C ATOM 189 CD LYS A 32 11.596 14.401 -8.439 1.00 2.22 C ATOM 190 CE LYS A 32 11.931 15.693 -7.709 1.00 3.17 C ATOM 191 NZ LYS A 32 10.707 16.458 -7.332 1.00 3.77 N ATOM 0 H LYS A 32 8.204 13.228 -7.547 1.00 0.79 H new ATOM 0 HA LYS A 32 8.757 10.692 -8.133 1.00 0.82 H new ATOM 0 HB2 LYS A 32 11.148 11.614 -8.530 1.00 1.24 H new ATOM 0 HB3 LYS A 32 9.851 12.536 -9.263 1.00 1.24 H new ATOM 0 HG2 LYS A 32 9.886 14.039 -7.205 1.00 1.77 H new ATOM 0 HG3 LYS A 32 11.332 13.192 -6.693 1.00 1.77 H new ATOM 0 HD2 LYS A 32 12.516 13.891 -8.724 1.00 2.22 H new ATOM 0 HD3 LYS A 32 11.059 14.628 -9.360 1.00 2.22 H new ATOM 0 HE2 LYS A 32 12.505 15.463 -6.811 1.00 3.17 H new ATOM 0 HE3 LYS A 32 12.565 16.313 -8.343 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 10.981 17.390 -6.960 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 10.104 16.583 -8.170 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 10.182 15.935 -6.602 1.00 3.77 H new ATOM 205 N LYS A 33 10.481 11.296 -5.390 1.00 0.71 N ATOM 206 CA LYS A 33 11.344 10.645 -4.405 1.00 0.75 C ATOM 207 C LYS A 33 10.604 9.576 -3.605 1.00 0.68 C ATOM 208 O LYS A 33 11.189 8.553 -3.245 1.00 0.78 O ATOM 209 CB LYS A 33 11.963 11.676 -3.461 1.00 0.95 C ATOM 210 CG LYS A 33 12.899 12.651 -4.160 1.00 1.45 C ATOM 211 CD LYS A 33 13.566 13.603 -3.178 1.00 1.86 C ATOM 212 CE LYS A 33 14.415 12.861 -2.153 1.00 2.71 C ATOM 213 NZ LYS A 33 15.175 13.795 -1.282 1.00 3.23 N ATOM 0 H LYS A 33 10.316 12.288 -5.218 1.00 0.71 H new ATOM 0 HA LYS A 33 12.139 10.147 -4.960 1.00 0.75 H new ATOM 0 HB2 LYS A 33 11.165 12.236 -2.973 1.00 0.95 H new ATOM 0 HB3 LYS A 33 12.512 11.156 -2.677 1.00 0.95 H new ATOM 0 HG2 LYS A 33 13.664 12.094 -4.702 1.00 1.45 H new ATOM 0 HG3 LYS A 33 12.339 13.225 -4.898 1.00 1.45 H new ATOM 0 HD2 LYS A 33 14.192 14.309 -3.725 1.00 1.86 H new ATOM 0 HD3 LYS A 33 12.803 14.186 -2.663 1.00 1.86 H new ATOM 0 HE2 LYS A 33 13.773 12.232 -1.537 1.00 2.71 H new ATOM 0 HE3 LYS A 33 15.110 12.199 -2.669 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 15.740 13.251 -0.599 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 15.807 14.378 -1.867 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 14.511 14.410 -0.770 1.00 3.23 H new ATOM 227 N LEU A 34 9.325 9.804 -3.337 1.00 0.61 N ATOM 228 CA LEU A 34 8.524 8.838 -2.595 1.00 0.64 C ATOM 229 C LEU A 34 8.385 7.545 -3.385 1.00 0.53 C ATOM 230 O LEU A 34 8.580 6.454 -2.849 1.00 0.62 O ATOM 231 CB LEU A 34 7.138 9.401 -2.279 1.00 0.70 C ATOM 232 CG LEU A 34 6.215 8.438 -1.531 1.00 0.82 C ATOM 233 CD1 LEU A 34 6.765 8.120 -0.154 1.00 1.39 C ATOM 234 CD2 LEU A 34 4.816 9.006 -1.422 1.00 1.38 C ATOM 0 H LEU A 34 8.822 10.645 -3.620 1.00 0.61 H new ATOM 0 HA LEU A 34 9.037 8.631 -1.656 1.00 0.64 H new ATOM 0 HB2 LEU A 34 7.255 10.307 -1.684 1.00 0.70 H new ATOM 0 HB3 LEU A 34 6.657 9.693 -3.213 1.00 0.70 H new ATOM 0 HG LEU A 34 6.166 7.511 -2.103 1.00 0.82 H new ATOM 0 HD11 LEU A 34 6.090 7.433 0.358 1.00 1.39 H new ATOM 0 HD12 LEU A 34 7.747 7.658 -0.252 1.00 1.39 H new ATOM 0 HD13 LEU A 34 6.853 9.040 0.424 1.00 1.39 H new ATOM 0 HD21 LEU A 34 4.179 8.303 -0.886 1.00 1.38 H new ATOM 0 HD22 LEU A 34 4.848 9.952 -0.881 1.00 1.38 H new ATOM 0 HD23 LEU A 34 4.412 9.173 -2.421 1.00 1.38 H new ATOM 246 N ILE A 35 8.062 7.681 -4.665 1.00 0.43 N ATOM 247 CA ILE A 35 7.905 6.529 -5.544 1.00 0.43 C ATOM 248 C ILE A 35 9.222 5.763 -5.658 1.00 0.46 C ATOM 249 O ILE A 35 9.236 4.538 -5.796 1.00 0.52 O ATOM 250 CB ILE A 35 7.423 6.957 -6.950 1.00 0.47 C ATOM 251 CG1 ILE A 35 6.073 7.676 -6.856 1.00 0.57 C ATOM 252 CG2 ILE A 35 7.319 5.752 -7.878 1.00 0.61 C ATOM 253 CD1 ILE A 35 5.536 8.133 -8.195 1.00 0.97 C ATOM 0 H ILE A 35 7.903 8.581 -5.119 1.00 0.43 H new ATOM 0 HA ILE A 35 7.148 5.878 -5.106 1.00 0.43 H new ATOM 0 HB ILE A 35 8.158 7.646 -7.367 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.347 7.009 -6.391 1.00 0.57 H new ATOM 0 HG13 ILE A 35 6.176 8.541 -6.201 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.978 6.078 -8.861 1.00 0.61 H new ATOM 0 HG22 ILE A 35 8.297 5.279 -7.971 1.00 0.61 H new ATOM 0 HG23 ILE A 35 6.608 5.036 -7.466 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.578 8.633 -8.051 1.00 0.97 H new ATOM 0 HD12 ILE A 35 6.242 8.825 -8.653 1.00 0.97 H new ATOM 0 HD13 ILE A 35 5.400 7.270 -8.846 1.00 0.97 H new ATOM 265 N GLU A 36 10.329 6.490 -5.579 1.00 0.51 N ATOM 266 CA GLU A 36 11.645 5.877 -5.648 1.00 0.62 C ATOM 267 C GLU A 36 11.938 5.076 -4.387 1.00 0.63 C ATOM 268 O GLU A 36 12.073 3.855 -4.446 1.00 0.64 O ATOM 269 CB GLU A 36 12.724 6.936 -5.862 1.00 0.79 C ATOM 270 CG GLU A 36 12.608 7.652 -7.197 1.00 0.87 C ATOM 271 CD GLU A 36 12.714 6.703 -8.372 1.00 1.64 C ATOM 272 OE1 GLU A 36 13.853 6.371 -8.771 1.00 2.22 O ATOM 273 OE2 GLU A 36 11.664 6.286 -8.904 1.00 2.42 O ATOM 0 H GLU A 36 10.340 7.504 -5.467 1.00 0.51 H new ATOM 0 HA GLU A 36 11.652 5.196 -6.499 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.667 7.670 -5.058 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.704 6.464 -5.795 1.00 0.79 H new ATOM 0 HG2 GLU A 36 11.654 8.177 -7.243 1.00 0.87 H new ATOM 0 HG3 GLU A 36 13.391 8.406 -7.271 1.00 0.87 H new ATOM 280 N GLU A 37 12.003 5.759 -3.246 1.00 0.68 N ATOM 281 CA GLU A 37 12.372 5.120 -1.984 1.00 0.77 C ATOM 282 C GLU A 37 11.465 3.939 -1.655 1.00 0.71 C ATOM 283 O GLU A 37 11.938 2.894 -1.206 1.00 0.79 O ATOM 284 CB GLU A 37 12.349 6.126 -0.833 1.00 0.91 C ATOM 285 CG GLU A 37 13.530 7.081 -0.836 1.00 1.41 C ATOM 286 CD GLU A 37 14.857 6.353 -0.762 1.00 1.84 C ATOM 287 OE1 GLU A 37 15.203 5.835 0.323 1.00 2.30 O ATOM 288 OE2 GLU A 37 15.567 6.295 -1.786 1.00 2.53 O ATOM 0 H GLU A 37 11.805 6.757 -3.169 1.00 0.68 H new ATOM 0 HA GLU A 37 13.387 4.742 -2.108 1.00 0.77 H new ATOM 0 HB2 GLU A 37 11.426 6.703 -0.884 1.00 0.91 H new ATOM 0 HB3 GLU A 37 12.334 5.584 0.112 1.00 0.91 H new ATOM 0 HG2 GLU A 37 13.501 7.689 -1.741 1.00 1.41 H new ATOM 0 HG3 GLU A 37 13.445 7.764 0.009 1.00 1.41 H new ATOM 295 N ALA A 38 10.168 4.101 -1.890 1.00 0.61 N ATOM 296 CA ALA A 38 9.209 3.042 -1.603 1.00 0.60 C ATOM 297 C ALA A 38 9.486 1.808 -2.456 1.00 0.54 C ATOM 298 O ALA A 38 9.422 0.677 -1.971 1.00 0.59 O ATOM 299 CB ALA A 38 7.786 3.532 -1.826 1.00 0.60 C ATOM 0 H ALA A 38 9.758 4.951 -2.277 1.00 0.61 H new ATOM 0 HA ALA A 38 9.320 2.764 -0.555 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.085 2.727 -1.606 1.00 0.60 H new ATOM 0 HB2 ALA A 38 7.585 4.377 -1.168 1.00 0.60 H new ATOM 0 HB3 ALA A 38 7.667 3.844 -2.864 1.00 0.60 H new ATOM 305 N ARG A 39 9.819 2.028 -3.722 1.00 0.49 N ATOM 306 CA ARG A 39 10.055 0.926 -4.643 1.00 0.53 C ATOM 307 C ARG A 39 11.428 0.309 -4.404 1.00 0.56 C ATOM 308 O ARG A 39 11.614 -0.893 -4.585 1.00 0.59 O ATOM 309 CB ARG A 39 9.935 1.391 -6.093 1.00 0.60 C ATOM 310 CG ARG A 39 9.842 0.241 -7.082 1.00 0.88 C ATOM 311 CD ARG A 39 9.774 0.735 -8.515 1.00 0.95 C ATOM 312 NE ARG A 39 9.476 -0.349 -9.447 1.00 1.37 N ATOM 313 CZ ARG A 39 10.065 -0.506 -10.631 1.00 1.97 C ATOM 314 NH1 ARG A 39 11.006 0.340 -11.032 1.00 2.23 N ATOM 315 NH2 ARG A 39 9.710 -1.517 -11.411 1.00 2.73 N ATOM 0 H ARG A 39 9.931 2.955 -4.132 1.00 0.49 H new ATOM 0 HA ARG A 39 9.293 0.168 -4.459 1.00 0.53 H new ATOM 0 HB2 ARG A 39 9.052 2.022 -6.194 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.798 2.008 -6.343 1.00 0.60 H new ATOM 0 HG2 ARG A 39 10.707 -0.412 -6.963 1.00 0.88 H new ATOM 0 HG3 ARG A 39 8.958 -0.358 -6.861 1.00 0.88 H new ATOM 0 HD2 ARG A 39 9.009 1.507 -8.598 1.00 0.95 H new ATOM 0 HD3 ARG A 39 10.723 1.197 -8.786 1.00 0.95 H new ATOM 0 HE ARG A 39 8.769 -1.032 -9.173 1.00 1.37 H new ATOM 0 HH11 ARG A 39 11.283 1.117 -10.432 1.00 2.23 H new ATOM 0 HH12 ARG A 39 11.452 0.213 -11.940 1.00 2.23 H new ATOM 0 HH21 ARG A 39 8.989 -2.170 -11.103 1.00 2.73 H new ATOM 0 HH22 ARG A 39 10.158 -1.642 -12.319 1.00 2.73 H new ATOM 329 N LYS A 40 12.384 1.129 -3.985 1.00 0.59 N ATOM 330 CA LYS A 40 13.724 0.638 -3.684 1.00 0.67 C ATOM 331 C LYS A 40 13.687 -0.309 -2.494 1.00 0.65 C ATOM 332 O LYS A 40 14.452 -1.271 -2.429 1.00 0.71 O ATOM 333 CB LYS A 40 14.682 1.794 -3.400 1.00 0.78 C ATOM 334 CG LYS A 40 14.849 2.740 -4.577 1.00 0.83 C ATOM 335 CD LYS A 40 15.935 3.773 -4.326 1.00 1.29 C ATOM 336 CE LYS A 40 17.318 3.143 -4.322 1.00 1.82 C ATOM 337 NZ LYS A 40 17.633 2.481 -5.617 1.00 2.52 N ATOM 0 H LYS A 40 12.258 2.132 -3.846 1.00 0.59 H new ATOM 0 HA LYS A 40 14.087 0.098 -4.558 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.317 2.356 -2.540 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.657 1.390 -3.127 1.00 0.78 H new ATOM 0 HG2 LYS A 40 15.093 2.167 -5.471 1.00 0.83 H new ATOM 0 HG3 LYS A 40 13.904 3.247 -4.772 1.00 0.83 H new ATOM 0 HD2 LYS A 40 15.888 4.544 -5.095 1.00 1.29 H new ATOM 0 HD3 LYS A 40 15.756 4.265 -3.370 1.00 1.29 H new ATOM 0 HE2 LYS A 40 18.065 3.910 -4.116 1.00 1.82 H new ATOM 0 HE3 LYS A 40 17.381 2.412 -3.516 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 18.660 2.336 -5.692 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 17.149 1.561 -5.663 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 17.310 3.082 -6.402 1.00 2.52 H new ATOM 351 N MET A 41 12.792 -0.031 -1.556 1.00 0.64 N ATOM 352 CA MET A 41 12.593 -0.911 -0.415 1.00 0.68 C ATOM 353 C MET A 41 11.931 -2.205 -0.862 1.00 0.63 C ATOM 354 O MET A 41 12.275 -3.290 -0.389 1.00 0.67 O ATOM 355 CB MET A 41 11.742 -0.231 0.657 1.00 0.82 C ATOM 356 CG MET A 41 12.438 0.937 1.332 1.00 0.99 C ATOM 357 SD MET A 41 13.925 0.444 2.230 1.00 1.64 S ATOM 358 CE MET A 41 13.233 -0.646 3.473 1.00 2.61 C ATOM 0 H MET A 41 12.194 0.795 -1.563 1.00 0.64 H new ATOM 0 HA MET A 41 13.569 -1.138 0.015 1.00 0.68 H new ATOM 0 HB2 MET A 41 10.815 0.121 0.204 1.00 0.82 H new ATOM 0 HB3 MET A 41 11.468 -0.967 1.413 1.00 0.82 H new ATOM 0 HG2 MET A 41 12.703 1.680 0.580 1.00 0.99 H new ATOM 0 HG3 MET A 41 11.745 1.417 2.023 1.00 0.99 H new ATOM 0 HE1 MET A 41 13.950 -0.775 4.284 1.00 2.61 H new ATOM 0 HE2 MET A 41 12.314 -0.212 3.867 1.00 2.61 H new ATOM 0 HE3 MET A 41 13.013 -1.615 3.025 1.00 2.61 H new ATOM 368 N ALA A 42 10.992 -2.079 -1.795 1.00 0.60 N ATOM 369 CA ALA A 42 10.311 -3.232 -2.361 1.00 0.64 C ATOM 370 C ALA A 42 11.295 -4.122 -3.109 1.00 0.61 C ATOM 371 O ALA A 42 11.280 -5.344 -2.965 1.00 0.66 O ATOM 372 CB ALA A 42 9.189 -2.782 -3.285 1.00 0.75 C ATOM 0 H ALA A 42 10.686 -1.183 -2.175 1.00 0.60 H new ATOM 0 HA ALA A 42 9.878 -3.812 -1.546 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.688 -3.656 -3.701 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.471 -2.186 -2.722 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.603 -2.181 -4.095 1.00 0.75 H new ATOM 378 N GLU A 43 12.159 -3.498 -3.893 1.00 0.62 N ATOM 379 CA GLU A 43 13.191 -4.211 -4.631 1.00 0.75 C ATOM 380 C GLU A 43 14.191 -4.856 -3.669 1.00 0.71 C ATOM 381 O GLU A 43 14.809 -5.876 -3.979 1.00 0.79 O ATOM 382 CB GLU A 43 13.914 -3.240 -5.567 1.00 0.93 C ATOM 383 CG GLU A 43 14.938 -3.898 -6.475 1.00 1.33 C ATOM 384 CD GLU A 43 15.711 -2.892 -7.299 1.00 1.88 C ATOM 385 OE1 GLU A 43 16.831 -2.515 -6.890 1.00 2.39 O ATOM 386 OE2 GLU A 43 15.201 -2.460 -8.353 1.00 2.57 O ATOM 0 H GLU A 43 12.166 -2.488 -4.036 1.00 0.62 H new ATOM 0 HA GLU A 43 12.723 -5.000 -5.219 1.00 0.75 H new ATOM 0 HB2 GLU A 43 13.175 -2.728 -6.183 1.00 0.93 H new ATOM 0 HB3 GLU A 43 14.413 -2.478 -4.968 1.00 0.93 H new ATOM 0 HG2 GLU A 43 15.634 -4.480 -5.871 1.00 1.33 H new ATOM 0 HG3 GLU A 43 14.432 -4.597 -7.141 1.00 1.33 H new ATOM 393 N LYS A 44 14.329 -4.258 -2.492 1.00 0.68 N ATOM 394 CA LYS A 44 15.299 -4.713 -1.508 1.00 0.77 C ATOM 395 C LYS A 44 14.824 -5.996 -0.827 1.00 0.69 C ATOM 396 O LYS A 44 15.483 -7.031 -0.912 1.00 0.80 O ATOM 397 CB LYS A 44 15.548 -3.609 -0.467 1.00 0.92 C ATOM 398 CG LYS A 44 16.905 -3.686 0.231 1.00 1.42 C ATOM 399 CD LYS A 44 17.001 -4.843 1.219 1.00 1.99 C ATOM 400 CE LYS A 44 16.064 -4.657 2.403 1.00 2.49 C ATOM 401 NZ LYS A 44 16.246 -5.720 3.425 1.00 2.98 N ATOM 0 H LYS A 44 13.777 -3.453 -2.196 1.00 0.68 H new ATOM 0 HA LYS A 44 16.236 -4.933 -2.020 1.00 0.77 H new ATOM 0 HB2 LYS A 44 15.461 -2.639 -0.957 1.00 0.92 H new ATOM 0 HB3 LYS A 44 14.763 -3.656 0.288 1.00 0.92 H new ATOM 0 HG2 LYS A 44 17.688 -3.790 -0.520 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.091 -2.750 0.757 1.00 1.42 H new ATOM 0 HD2 LYS A 44 16.761 -5.776 0.709 1.00 1.99 H new ATOM 0 HD3 LYS A 44 18.027 -4.930 1.578 1.00 1.99 H new ATOM 0 HE2 LYS A 44 16.242 -3.682 2.857 1.00 2.49 H new ATOM 0 HE3 LYS A 44 15.032 -4.662 2.053 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 15.590 -5.558 4.215 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 16.052 -6.648 2.999 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 17.224 -5.699 3.777 1.00 2.98 H new ATOM 415 N ALA A 45 13.673 -5.934 -0.169 1.00 0.61 N ATOM 416 CA ALA A 45 13.208 -7.053 0.647 1.00 0.64 C ATOM 417 C ALA A 45 12.203 -7.934 -0.095 1.00 0.60 C ATOM 418 O ALA A 45 11.440 -8.675 0.525 1.00 0.71 O ATOM 419 CB ALA A 45 12.618 -6.544 1.953 1.00 0.76 C ATOM 0 H ALA A 45 13.047 -5.128 -0.183 1.00 0.61 H new ATOM 0 HA ALA A 45 14.074 -7.677 0.868 1.00 0.64 H new ATOM 0 HB1 ALA A 45 12.276 -7.388 2.551 1.00 0.76 H new ATOM 0 HB2 ALA A 45 13.379 -5.993 2.506 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.776 -5.885 1.740 1.00 0.76 H new ATOM 425 N ASN A 46 12.215 -7.837 -1.422 1.00 0.56 N ATOM 426 CA ASN A 46 11.384 -8.677 -2.289 1.00 0.65 C ATOM 427 C ASN A 46 9.895 -8.423 -2.050 1.00 0.62 C ATOM 428 O ASN A 46 9.175 -9.274 -1.526 1.00 0.80 O ATOM 429 CB ASN A 46 11.717 -10.164 -2.084 1.00 0.83 C ATOM 430 CG ASN A 46 11.059 -11.068 -3.115 1.00 1.46 C ATOM 431 OD1 ASN A 46 9.948 -11.561 -2.918 1.00 2.11 O ATOM 432 ND2 ASN A 46 11.747 -11.297 -4.221 1.00 2.22 N ATOM 0 H ASN A 46 12.801 -7.174 -1.930 1.00 0.56 H new ATOM 0 HA ASN A 46 11.607 -8.410 -3.322 1.00 0.65 H new ATOM 0 HB2 ASN A 46 12.798 -10.298 -2.128 1.00 0.83 H new ATOM 0 HB3 ASN A 46 11.399 -10.468 -1.087 1.00 0.83 H new ATOM 0 HD21 ASN A 46 11.360 -11.900 -4.947 1.00 2.22 H new ATOM 0 HD22 ASN A 46 12.665 -10.870 -4.348 1.00 2.22 H new ATOM 439 N LEU A 47 9.443 -7.235 -2.417 1.00 0.48 N ATOM 440 CA LEU A 47 8.031 -6.895 -2.344 1.00 0.48 C ATOM 441 C LEU A 47 7.509 -6.563 -3.733 1.00 0.45 C ATOM 442 O LEU A 47 8.212 -5.946 -4.537 1.00 0.53 O ATOM 443 CB LEU A 47 7.768 -5.697 -1.415 1.00 0.51 C ATOM 444 CG LEU A 47 8.126 -5.871 0.067 1.00 0.58 C ATOM 445 CD1 LEU A 47 7.675 -7.223 0.586 1.00 1.10 C ATOM 446 CD2 LEU A 47 9.612 -5.670 0.302 1.00 1.11 C ATOM 0 H LEU A 47 10.038 -6.485 -2.771 1.00 0.48 H new ATOM 0 HA LEU A 47 7.512 -7.762 -1.935 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.324 -4.842 -1.799 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.710 -5.444 -1.480 1.00 0.51 H new ATOM 0 HG LEU A 47 7.592 -5.102 0.625 1.00 0.58 H new ATOM 0 HD11 LEU A 47 7.943 -7.316 1.638 1.00 1.10 H new ATOM 0 HD12 LEU A 47 6.594 -7.312 0.477 1.00 1.10 H new ATOM 0 HD13 LEU A 47 8.164 -8.013 0.016 1.00 1.10 H new ATOM 0 HD21 LEU A 47 9.834 -5.800 1.361 1.00 1.11 H new ATOM 0 HD22 LEU A 47 10.174 -6.401 -0.279 1.00 1.11 H new ATOM 0 HD23 LEU A 47 9.897 -4.664 -0.008 1.00 1.11 H new ATOM 458 N GLU A 48 6.285 -6.972 -4.012 1.00 0.43 N ATOM 459 CA GLU A 48 5.646 -6.657 -5.274 1.00 0.47 C ATOM 460 C GLU A 48 4.921 -5.325 -5.147 1.00 0.45 C ATOM 461 O GLU A 48 3.868 -5.247 -4.530 1.00 0.49 O ATOM 462 CB GLU A 48 4.667 -7.768 -5.650 1.00 0.58 C ATOM 463 CG GLU A 48 4.062 -7.614 -7.033 1.00 0.80 C ATOM 464 CD GLU A 48 3.136 -8.758 -7.385 1.00 1.27 C ATOM 465 OE1 GLU A 48 1.922 -8.518 -7.553 1.00 2.13 O ATOM 466 OE2 GLU A 48 3.615 -9.909 -7.484 1.00 1.74 O ATOM 0 H GLU A 48 5.711 -7.526 -3.376 1.00 0.43 H new ATOM 0 HA GLU A 48 6.397 -6.580 -6.060 1.00 0.47 H new ATOM 0 HB2 GLU A 48 5.182 -8.727 -5.595 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.864 -7.795 -4.914 1.00 0.58 H new ATOM 0 HG2 GLU A 48 3.511 -6.675 -7.084 1.00 0.80 H new ATOM 0 HG3 GLU A 48 4.861 -7.555 -7.772 1.00 0.80 H new ATOM 473 N LEU A 49 5.496 -4.273 -5.699 1.00 0.46 N ATOM 474 CA LEU A 49 4.935 -2.945 -5.534 1.00 0.50 C ATOM 475 C LEU A 49 4.257 -2.472 -6.815 1.00 0.45 C ATOM 476 O LEU A 49 4.788 -2.651 -7.912 1.00 0.54 O ATOM 477 CB LEU A 49 6.028 -1.966 -5.090 1.00 0.67 C ATOM 478 CG LEU A 49 5.546 -0.570 -4.685 1.00 0.75 C ATOM 479 CD1 LEU A 49 6.428 -0.008 -3.586 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.547 0.366 -5.881 1.00 0.99 C ATOM 0 H LEU A 49 6.346 -4.311 -6.262 1.00 0.46 H new ATOM 0 HA LEU A 49 4.170 -2.984 -4.758 1.00 0.50 H new ATOM 0 HB2 LEU A 49 6.562 -2.404 -4.247 1.00 0.67 H new ATOM 0 HB3 LEU A 49 6.747 -1.860 -5.902 1.00 0.67 H new ATOM 0 HG LEU A 49 4.525 -0.656 -4.312 1.00 0.75 H new ATOM 0 HD11 LEU A 49 6.074 0.985 -3.308 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.389 -0.664 -2.717 1.00 1.49 H new ATOM 0 HD13 LEU A 49 7.456 0.060 -3.943 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.201 1.352 -5.571 1.00 0.99 H new ATOM 0 HD22 LEU A 49 6.558 0.445 -6.281 1.00 0.99 H new ATOM 0 HD23 LEU A 49 4.882 -0.026 -6.651 1.00 0.99 H new ATOM 492 N ILE A 50 3.071 -1.892 -6.658 1.00 0.39 N ATOM 493 CA ILE A 50 2.305 -1.357 -7.777 1.00 0.43 C ATOM 494 C ILE A 50 1.952 0.111 -7.522 1.00 0.40 C ATOM 495 O ILE A 50 1.523 0.473 -6.422 1.00 0.37 O ATOM 496 CB ILE A 50 0.993 -2.155 -8.021 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.281 -3.605 -8.440 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.129 -1.473 -9.072 1.00 0.62 C ATOM 499 CD1 ILE A 50 1.589 -4.534 -7.284 1.00 1.31 C ATOM 0 H ILE A 50 2.615 -1.780 -5.753 1.00 0.39 H new ATOM 0 HA ILE A 50 2.932 -1.447 -8.664 1.00 0.43 H new ATOM 0 HB ILE A 50 0.450 -2.176 -7.076 1.00 0.50 H new ATOM 0 HG12 ILE A 50 0.419 -3.993 -8.984 1.00 0.60 H new ATOM 0 HG13 ILE A 50 2.124 -3.611 -9.131 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.783 -2.051 -9.224 1.00 0.62 H new ATOM 0 HG22 ILE A 50 -0.130 -0.469 -8.735 1.00 0.62 H new ATOM 0 HG23 ILE A 50 0.680 -1.410 -10.011 1.00 0.62 H new ATOM 0 HD11 ILE A 50 1.780 -5.537 -7.665 1.00 1.31 H new ATOM 0 HD12 ILE A 50 2.470 -4.174 -6.752 1.00 1.31 H new ATOM 0 HD13 ILE A 50 0.739 -4.561 -6.602 1.00 1.31 H new ATOM 511 N THR A 51 2.146 0.954 -8.532 1.00 0.48 N ATOM 512 CA THR A 51 1.786 2.363 -8.440 1.00 0.52 C ATOM 513 C THR A 51 0.369 2.596 -8.963 1.00 0.56 C ATOM 514 O THR A 51 0.031 2.173 -10.072 1.00 0.66 O ATOM 515 CB THR A 51 2.776 3.241 -9.230 1.00 0.63 C ATOM 516 OG1 THR A 51 2.980 2.695 -10.540 1.00 1.19 O ATOM 517 CG2 THR A 51 4.110 3.340 -8.505 1.00 1.20 C ATOM 0 H THR A 51 2.553 0.683 -9.427 1.00 0.48 H new ATOM 0 HA THR A 51 1.829 2.644 -7.388 1.00 0.52 H new ATOM 0 HB THR A 51 2.351 4.241 -9.315 1.00 0.63 H new ATOM 0 HG1 THR A 51 2.179 2.204 -10.818 1.00 1.19 H new ATOM 0 HG21 THR A 51 4.792 3.965 -9.082 1.00 1.20 H new ATOM 0 HG22 THR A 51 3.957 3.783 -7.521 1.00 1.20 H new ATOM 0 HG23 THR A 51 4.538 2.344 -8.392 1.00 1.20 H new ATOM 525 N VAL A 52 -0.459 3.258 -8.168 1.00 0.68 N ATOM 526 CA VAL A 52 -1.854 3.478 -8.532 1.00 0.78 C ATOM 527 C VAL A 52 -2.134 4.955 -8.800 1.00 0.85 C ATOM 528 O VAL A 52 -1.301 5.815 -8.498 1.00 1.66 O ATOM 529 CB VAL A 52 -2.805 3.000 -7.413 1.00 1.35 C ATOM 530 CG1 VAL A 52 -2.432 1.603 -6.944 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.806 3.989 -6.258 1.00 1.95 C ATOM 0 H VAL A 52 -0.191 3.653 -7.267 1.00 0.68 H new ATOM 0 HA VAL A 52 -2.033 2.902 -9.440 1.00 0.78 H new ATOM 0 HB VAL A 52 -3.816 2.952 -7.817 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -3.116 1.289 -6.156 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -2.499 0.908 -7.781 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -1.413 1.609 -6.558 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -3.481 3.637 -5.478 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -1.798 4.076 -5.853 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -3.140 4.964 -6.614 1.00 1.95 H new ATOM 541 N PRO A 53 -3.303 5.263 -9.390 1.00 0.73 N ATOM 542 CA PRO A 53 -3.814 6.632 -9.481 1.00 0.90 C ATOM 543 C PRO A 53 -3.915 7.305 -8.109 1.00 0.88 C ATOM 544 O PRO A 53 -3.953 6.647 -7.072 1.00 1.64 O ATOM 545 CB PRO A 53 -5.212 6.470 -10.098 1.00 1.83 C ATOM 546 CG PRO A 53 -5.521 5.014 -10.014 1.00 2.29 C ATOM 547 CD PRO A 53 -4.200 4.311 -10.063 1.00 1.49 C ATOM 0 HA PRO A 53 -3.152 7.267 -10.069 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -5.951 7.059 -9.555 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -5.227 6.815 -11.132 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -6.054 4.780 -9.092 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -6.160 4.702 -10.840 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -4.233 3.351 -9.547 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -3.885 4.112 -11.087 1.00 1.49 H new ATOM 555 N GLY A 54 -3.974 8.623 -8.135 1.00 1.49 N ATOM 556 CA GLY A 54 -3.914 9.436 -6.929 1.00 2.14 C ATOM 557 C GLY A 54 -5.087 9.255 -5.978 1.00 1.80 C ATOM 558 O GLY A 54 -5.064 9.790 -4.867 1.00 2.08 O ATOM 0 H GLY A 54 -4.065 9.164 -8.995 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -2.993 9.202 -6.396 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -3.857 10.486 -7.218 1.00 2.14 H new ATOM 562 N SER A 55 -6.109 8.522 -6.395 1.00 1.36 N ATOM 563 CA SER A 55 -7.249 8.270 -5.526 1.00 0.97 C ATOM 564 C SER A 55 -7.059 6.985 -4.732 1.00 0.64 C ATOM 565 O SER A 55 -6.715 5.938 -5.284 1.00 0.50 O ATOM 566 CB SER A 55 -8.543 8.178 -6.318 1.00 1.19 C ATOM 567 OG SER A 55 -8.823 9.390 -6.999 1.00 1.75 O ATOM 0 H SER A 55 -6.173 8.095 -7.319 1.00 1.36 H new ATOM 0 HA SER A 55 -7.314 9.113 -4.838 1.00 0.97 H new ATOM 0 HB2 SER A 55 -8.473 7.363 -7.038 1.00 1.19 H new ATOM 0 HB3 SER A 55 -9.366 7.939 -5.645 1.00 1.19 H new ATOM 0 HG SER A 55 -9.660 9.298 -7.500 1.00 1.75 H new ATOM 573 N PRO A 56 -7.307 7.058 -3.419 1.00 0.66 N ATOM 574 CA PRO A 56 -7.127 5.926 -2.508 1.00 0.58 C ATOM 575 C PRO A 56 -8.150 4.815 -2.724 1.00 0.53 C ATOM 576 O PRO A 56 -7.888 3.657 -2.397 1.00 0.62 O ATOM 577 CB PRO A 56 -7.308 6.565 -1.133 1.00 0.70 C ATOM 578 CG PRO A 56 -8.201 7.726 -1.377 1.00 1.09 C ATOM 579 CD PRO A 56 -7.777 8.265 -2.711 1.00 0.87 C ATOM 0 HA PRO A 56 -6.164 5.437 -2.652 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -7.752 5.865 -0.425 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -6.353 6.880 -0.713 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -9.248 7.424 -1.388 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -8.094 8.478 -0.595 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -8.604 8.744 -3.235 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -6.987 9.010 -2.613 1.00 0.87 H new ATOM 587 N GLU A 57 -9.308 5.164 -3.277 1.00 0.62 N ATOM 588 CA GLU A 57 -10.358 4.181 -3.525 1.00 0.80 C ATOM 589 C GLU A 57 -9.879 3.119 -4.513 1.00 0.67 C ATOM 590 O GLU A 57 -10.188 1.934 -4.369 1.00 0.67 O ATOM 591 CB GLU A 57 -11.626 4.857 -4.054 1.00 1.14 C ATOM 592 CG GLU A 57 -11.461 5.489 -5.426 1.00 1.80 C ATOM 593 CD GLU A 57 -12.771 5.961 -6.012 1.00 1.95 C ATOM 594 OE1 GLU A 57 -13.741 5.175 -6.019 1.00 2.06 O ATOM 595 OE2 GLU A 57 -12.832 7.110 -6.495 1.00 2.70 O ATOM 0 H GLU A 57 -9.543 6.115 -3.561 1.00 0.62 H new ATOM 0 HA GLU A 57 -10.594 3.697 -2.577 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -12.427 4.119 -4.099 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -11.939 5.625 -3.346 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -10.775 6.333 -5.353 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -11.005 4.766 -6.102 1.00 1.80 H new ATOM 602 N GLU A 58 -9.103 3.552 -5.502 1.00 0.61 N ATOM 603 CA GLU A 58 -8.561 2.646 -6.502 1.00 0.56 C ATOM 604 C GLU A 58 -7.505 1.752 -5.873 1.00 0.50 C ATOM 605 O GLU A 58 -7.434 0.559 -6.161 1.00 0.54 O ATOM 606 CB GLU A 58 -7.951 3.436 -7.664 1.00 0.62 C ATOM 607 CG GLU A 58 -8.935 4.355 -8.369 1.00 1.18 C ATOM 608 CD GLU A 58 -10.099 3.607 -8.984 1.00 1.57 C ATOM 609 OE1 GLU A 58 -9.897 2.904 -9.995 1.00 2.30 O ATOM 610 OE2 GLU A 58 -11.228 3.729 -8.472 1.00 2.01 O ATOM 0 H GLU A 58 -8.836 4.528 -5.630 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.371 2.027 -6.888 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -7.119 4.031 -7.288 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -7.539 2.735 -8.390 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -9.315 5.088 -7.657 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -8.413 4.910 -9.149 1.00 1.18 H new ATOM 617 N ALA A 59 -6.706 2.343 -4.991 1.00 0.52 N ATOM 618 CA ALA A 59 -5.636 1.627 -4.312 1.00 0.59 C ATOM 619 C ALA A 59 -6.182 0.453 -3.509 1.00 0.50 C ATOM 620 O ALA A 59 -5.658 -0.657 -3.582 1.00 0.50 O ATOM 621 CB ALA A 59 -4.867 2.571 -3.399 1.00 0.78 C ATOM 0 H ALA A 59 -6.782 3.326 -4.729 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.960 1.234 -5.071 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -4.070 2.023 -2.897 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -4.436 3.378 -3.991 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -5.544 2.989 -2.654 1.00 0.78 H new ATOM 627 N ILE A 60 -7.249 0.699 -2.760 1.00 0.51 N ATOM 628 CA ILE A 60 -7.830 -0.332 -1.911 1.00 0.52 C ATOM 629 C ILE A 60 -8.411 -1.464 -2.750 1.00 0.50 C ATOM 630 O ILE A 60 -8.142 -2.636 -2.496 1.00 0.52 O ATOM 631 CB ILE A 60 -8.940 0.223 -0.994 1.00 0.63 C ATOM 632 CG1 ILE A 60 -8.470 1.485 -0.263 1.00 0.79 C ATOM 633 CG2 ILE A 60 -9.364 -0.843 0.003 1.00 0.74 C ATOM 634 CD1 ILE A 60 -7.232 1.284 0.585 1.00 1.03 C ATOM 0 H ILE A 60 -7.728 1.599 -2.723 1.00 0.51 H new ATOM 0 HA ILE A 60 -7.019 -0.708 -1.288 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.796 0.495 -1.611 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -8.271 2.265 -0.998 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -9.278 1.846 0.373 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -10.148 -0.446 0.648 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.741 -1.713 -0.534 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -8.507 -1.135 0.610 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -6.965 2.224 1.068 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -7.431 0.529 1.345 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -6.408 0.954 -0.047 1.00 1.03 H new ATOM 646 N ARG A 61 -9.199 -1.101 -3.758 1.00 0.51 N ATOM 647 CA ARG A 61 -9.836 -2.086 -4.624 1.00 0.57 C ATOM 648 C ARG A 61 -8.800 -2.920 -5.364 1.00 0.55 C ATOM 649 O ARG A 61 -8.958 -4.133 -5.511 1.00 0.67 O ATOM 650 CB ARG A 61 -10.768 -1.405 -5.622 1.00 0.63 C ATOM 651 CG ARG A 61 -12.047 -0.875 -5.000 1.00 0.68 C ATOM 652 CD ARG A 61 -12.969 -0.305 -6.058 1.00 0.85 C ATOM 653 NE ARG A 61 -14.311 -0.052 -5.542 1.00 1.75 N ATOM 654 CZ ARG A 61 -15.395 0.019 -6.308 1.00 2.33 C ATOM 655 NH1 ARG A 61 -15.287 -0.091 -7.625 1.00 2.28 N ATOM 656 NH2 ARG A 61 -16.587 0.207 -5.756 1.00 3.35 N ATOM 0 H ARG A 61 -9.411 -0.132 -3.995 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.423 -2.751 -3.991 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -10.237 -0.580 -6.097 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -11.024 -2.115 -6.409 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.555 -1.677 -4.464 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.807 -0.104 -4.268 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -12.548 0.624 -6.442 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -13.029 -0.998 -6.897 1.00 0.85 H new ATOM 0 HE ARG A 61 -14.423 0.078 -4.537 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -14.371 -0.230 -8.052 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -16.120 -0.036 -8.211 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -16.672 0.297 -4.744 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -17.419 0.261 -6.344 1.00 3.35 H new ATOM 670 N LEU A 62 -7.744 -2.262 -5.825 1.00 0.47 N ATOM 671 CA LEU A 62 -6.656 -2.940 -6.513 1.00 0.50 C ATOM 672 C LEU A 62 -5.998 -3.941 -5.564 1.00 0.43 C ATOM 673 O LEU A 62 -5.828 -5.109 -5.904 1.00 0.45 O ATOM 674 CB LEU A 62 -5.628 -1.907 -7.003 1.00 0.59 C ATOM 675 CG LEU A 62 -4.747 -2.309 -8.203 1.00 0.69 C ATOM 676 CD1 LEU A 62 -3.958 -3.580 -7.936 1.00 1.22 C ATOM 677 CD2 LEU A 62 -5.594 -2.462 -9.456 1.00 1.03 C ATOM 0 H LEU A 62 -7.619 -1.254 -5.733 1.00 0.47 H new ATOM 0 HA LEU A 62 -7.047 -3.478 -7.376 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -6.164 -0.995 -7.267 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -4.971 -1.661 -6.169 1.00 0.59 H new ATOM 0 HG LEU A 62 -4.025 -1.507 -8.357 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -3.353 -3.823 -8.809 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -3.308 -3.430 -7.074 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -4.647 -4.400 -7.733 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -4.957 -2.746 -10.294 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -6.346 -3.234 -9.295 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -6.087 -1.516 -9.680 1.00 1.03 H new ATOM 689 N ALA A 63 -5.656 -3.480 -4.364 1.00 0.41 N ATOM 690 CA ALA A 63 -4.992 -4.327 -3.379 1.00 0.42 C ATOM 691 C ALA A 63 -5.890 -5.473 -2.927 1.00 0.46 C ATOM 692 O ALA A 63 -5.412 -6.565 -2.620 1.00 0.49 O ATOM 693 CB ALA A 63 -4.536 -3.504 -2.191 1.00 0.49 C ATOM 0 H ALA A 63 -5.828 -2.525 -4.051 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.116 -4.765 -3.857 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.043 -4.153 -1.467 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -3.837 -2.737 -2.526 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -5.399 -3.029 -1.724 1.00 0.49 H new ATOM 699 N GLN A 64 -7.190 -5.218 -2.888 1.00 0.52 N ATOM 700 CA GLN A 64 -8.161 -6.260 -2.589 1.00 0.64 C ATOM 701 C GLN A 64 -8.098 -7.346 -3.660 1.00 0.62 C ATOM 702 O GLN A 64 -8.158 -8.538 -3.362 1.00 0.69 O ATOM 703 CB GLN A 64 -9.567 -5.660 -2.502 1.00 0.77 C ATOM 704 CG GLN A 64 -10.655 -6.672 -2.192 1.00 1.11 C ATOM 705 CD GLN A 64 -11.992 -6.016 -1.916 1.00 1.39 C ATOM 706 OE1 GLN A 64 -12.320 -5.708 -0.770 1.00 1.95 O ATOM 707 NE2 GLN A 64 -12.770 -5.787 -2.961 1.00 2.12 N ATOM 0 H GLN A 64 -7.596 -4.298 -3.060 1.00 0.52 H new ATOM 0 HA GLN A 64 -7.923 -6.710 -1.625 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -9.574 -4.888 -1.732 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -9.800 -5.170 -3.447 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.757 -7.360 -3.031 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -10.359 -7.266 -1.327 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.462 -6.057 -3.895 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -13.678 -5.340 -2.833 1.00 2.12 H new ATOM 716 N GLU A 65 -7.945 -6.918 -4.910 1.00 0.58 N ATOM 717 CA GLU A 65 -7.785 -7.845 -6.020 1.00 0.63 C ATOM 718 C GLU A 65 -6.419 -8.517 -5.973 1.00 0.55 C ATOM 719 O GLU A 65 -6.285 -9.675 -6.368 1.00 0.62 O ATOM 720 CB GLU A 65 -7.973 -7.131 -7.356 1.00 0.69 C ATOM 721 CG GLU A 65 -9.413 -6.759 -7.645 1.00 1.24 C ATOM 722 CD GLU A 65 -9.607 -6.218 -9.046 1.00 1.50 C ATOM 723 OE1 GLU A 65 -10.413 -5.283 -9.219 1.00 2.21 O ATOM 724 OE2 GLU A 65 -8.957 -6.732 -9.982 1.00 1.95 O ATOM 0 H GLU A 65 -7.929 -5.934 -5.177 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.553 -8.613 -5.926 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -7.364 -6.227 -7.365 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -7.604 -7.772 -8.157 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -10.045 -7.636 -7.508 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -9.743 -6.012 -6.923 1.00 1.24 H new ATOM 731 N ILE A 66 -5.409 -7.786 -5.501 1.00 0.46 N ATOM 732 CA ILE A 66 -4.080 -8.349 -5.293 1.00 0.46 C ATOM 733 C ILE A 66 -4.169 -9.649 -4.507 1.00 0.43 C ATOM 734 O ILE A 66 -3.750 -10.704 -4.982 1.00 0.48 O ATOM 735 CB ILE A 66 -3.166 -7.374 -4.519 1.00 0.54 C ATOM 736 CG1 ILE A 66 -2.882 -6.114 -5.339 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.868 -8.059 -4.122 1.00 0.64 C ATOM 738 CD1 ILE A 66 -2.079 -6.363 -6.593 1.00 0.53 C ATOM 0 H ILE A 66 -5.489 -6.799 -5.255 1.00 0.46 H new ATOM 0 HA ILE A 66 -3.654 -8.533 -6.279 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.689 -7.072 -3.612 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -3.830 -5.651 -5.613 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -2.347 -5.399 -4.714 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -1.237 -7.356 -3.578 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -2.089 -8.916 -3.486 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.346 -8.397 -5.017 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -1.921 -5.420 -7.117 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -1.115 -6.797 -6.328 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -2.621 -7.052 -7.241 1.00 0.53 H new ATOM 750 N ALA A 67 -4.741 -9.560 -3.316 1.00 0.44 N ATOM 751 CA ALA A 67 -4.862 -10.707 -2.433 1.00 0.51 C ATOM 752 C ALA A 67 -5.809 -11.751 -3.013 1.00 0.55 C ATOM 753 O ALA A 67 -5.567 -12.954 -2.901 1.00 0.63 O ATOM 754 CB ALA A 67 -5.342 -10.258 -1.067 1.00 0.60 C ATOM 0 H ALA A 67 -5.131 -8.697 -2.938 1.00 0.44 H new ATOM 0 HA ALA A 67 -3.879 -11.168 -2.333 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.431 -11.123 -0.410 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.627 -9.553 -0.644 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.314 -9.775 -1.164 1.00 0.60 H new ATOM 760 N GLU A 68 -6.873 -11.281 -3.650 1.00 0.60 N ATOM 761 CA GLU A 68 -7.883 -12.163 -4.218 1.00 0.73 C ATOM 762 C GLU A 68 -7.296 -13.033 -5.332 1.00 0.73 C ATOM 763 O GLU A 68 -7.697 -14.186 -5.505 1.00 0.87 O ATOM 764 CB GLU A 68 -9.055 -11.336 -4.748 1.00 0.83 C ATOM 765 CG GLU A 68 -10.248 -12.170 -5.180 1.00 1.10 C ATOM 766 CD GLU A 68 -11.412 -11.323 -5.643 1.00 1.71 C ATOM 767 OE1 GLU A 68 -12.243 -10.935 -4.796 1.00 2.46 O ATOM 768 OE2 GLU A 68 -11.507 -11.051 -6.858 1.00 2.22 O ATOM 0 H GLU A 68 -7.059 -10.288 -3.787 1.00 0.60 H new ATOM 0 HA GLU A 68 -8.240 -12.827 -3.431 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.373 -10.637 -3.975 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -8.714 -10.741 -5.595 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -9.946 -12.839 -5.986 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.568 -12.798 -4.348 1.00 1.10 H new ATOM 775 N LYS A 69 -6.342 -12.492 -6.081 1.00 0.65 N ATOM 776 CA LYS A 69 -5.733 -13.237 -7.177 1.00 0.71 C ATOM 777 C LYS A 69 -4.376 -13.806 -6.770 1.00 0.73 C ATOM 778 O LYS A 69 -3.658 -14.372 -7.595 1.00 0.92 O ATOM 779 CB LYS A 69 -5.564 -12.357 -8.421 1.00 0.73 C ATOM 780 CG LYS A 69 -6.803 -11.558 -8.799 1.00 0.77 C ATOM 781 CD LYS A 69 -6.832 -11.253 -10.290 1.00 1.29 C ATOM 782 CE LYS A 69 -7.805 -10.132 -10.618 1.00 1.73 C ATOM 783 NZ LYS A 69 -7.290 -8.813 -10.168 1.00 2.41 N ATOM 0 H LYS A 69 -5.976 -11.549 -5.952 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.406 -14.061 -7.416 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -4.738 -11.666 -8.253 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -5.284 -12.990 -9.263 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.697 -12.117 -8.523 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -6.823 -10.626 -8.235 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -5.832 -10.976 -10.624 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -7.114 -12.151 -10.839 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -7.983 -10.106 -11.693 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -8.765 -10.331 -10.141 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -8.088 -8.170 -9.992 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -6.743 -8.934 -9.292 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -6.677 -8.410 -10.905 1.00 2.41 H new ATOM 797 N ALA A 70 -4.026 -13.659 -5.500 1.00 0.67 N ATOM 798 CA ALA A 70 -2.739 -14.134 -5.007 1.00 0.71 C ATOM 799 C ALA A 70 -2.823 -15.589 -4.575 1.00 0.69 C ATOM 800 O ALA A 70 -3.740 -15.975 -3.849 1.00 0.68 O ATOM 801 CB ALA A 70 -2.261 -13.282 -3.847 1.00 0.78 C ATOM 0 H ALA A 70 -4.613 -13.216 -4.793 1.00 0.67 H new ATOM 0 HA ALA A 70 -2.023 -14.054 -5.825 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -1.299 -13.654 -3.495 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.152 -12.248 -4.175 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -2.988 -13.330 -3.036 1.00 0.78 H new ATOM 807 N PRO A 71 -1.879 -16.420 -5.025 1.00 0.84 N ATOM 808 CA PRO A 71 -1.819 -17.820 -4.631 1.00 0.90 C ATOM 809 C PRO A 71 -1.115 -18.016 -3.288 1.00 0.81 C ATOM 810 O PRO A 71 0.102 -17.850 -3.176 1.00 0.93 O ATOM 811 CB PRO A 71 -1.020 -18.461 -5.764 1.00 1.19 C ATOM 812 CG PRO A 71 -0.123 -17.379 -6.272 1.00 1.34 C ATOM 813 CD PRO A 71 -0.803 -16.065 -5.970 1.00 1.08 C ATOM 0 HA PRO A 71 -2.809 -18.255 -4.490 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -0.444 -19.314 -5.406 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -1.678 -18.829 -6.551 1.00 1.19 H new ATOM 0 HG2 PRO A 71 0.853 -17.428 -5.789 1.00 1.34 H new ATOM 0 HG3 PRO A 71 0.046 -17.489 -7.343 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -0.108 -15.349 -5.531 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -1.203 -15.607 -6.875 1.00 1.08 H new ATOM 821 N GLY A 72 -1.890 -18.353 -2.269 1.00 0.75 N ATOM 822 CA GLY A 72 -1.318 -18.673 -0.976 1.00 0.77 C ATOM 823 C GLY A 72 -1.447 -17.537 0.015 1.00 0.63 C ATOM 824 O GLY A 72 -2.251 -16.625 -0.192 1.00 0.62 O ATOM 0 H GLY A 72 -2.907 -18.411 -2.313 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -1.811 -19.558 -0.574 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -0.265 -18.923 -1.101 1.00 0.77 H new ATOM 828 N PRO A 73 -0.677 -17.577 1.113 1.00 0.61 N ATOM 829 CA PRO A 73 -0.689 -16.527 2.133 1.00 0.58 C ATOM 830 C PRO A 73 -0.177 -15.203 1.583 1.00 0.48 C ATOM 831 O PRO A 73 0.963 -15.108 1.122 1.00 0.54 O ATOM 832 CB PRO A 73 0.253 -17.057 3.224 1.00 0.71 C ATOM 833 CG PRO A 73 0.390 -18.514 2.942 1.00 0.90 C ATOM 834 CD PRO A 73 0.262 -18.653 1.454 1.00 0.73 C ATOM 0 HA PRO A 73 -1.696 -16.325 2.498 1.00 0.58 H new ATOM 0 HB2 PRO A 73 1.220 -16.556 3.188 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -0.159 -16.885 4.218 1.00 0.71 H new ATOM 0 HG2 PRO A 73 1.352 -18.891 3.289 1.00 0.90 H new ATOM 0 HG3 PRO A 73 -0.382 -19.087 3.457 1.00 0.90 H new ATOM 0 HD2 PRO A 73 1.221 -18.529 0.951 1.00 0.73 H new ATOM 0 HD3 PRO A 73 -0.123 -19.632 1.170 1.00 0.73 H new ATOM 842 N VAL A 74 -1.015 -14.184 1.639 1.00 0.48 N ATOM 843 CA VAL A 74 -0.698 -12.909 1.024 1.00 0.46 C ATOM 844 C VAL A 74 -1.063 -11.745 1.938 1.00 0.44 C ATOM 845 O VAL A 74 -2.061 -11.794 2.661 1.00 0.56 O ATOM 846 CB VAL A 74 -1.431 -12.759 -0.332 1.00 0.62 C ATOM 847 CG1 VAL A 74 -2.935 -12.909 -0.149 1.00 1.50 C ATOM 848 CG2 VAL A 74 -1.096 -11.428 -0.995 1.00 1.31 C ATOM 0 H VAL A 74 -1.922 -14.215 2.105 1.00 0.48 H new ATOM 0 HA VAL A 74 0.378 -12.888 0.853 1.00 0.46 H new ATOM 0 HB VAL A 74 -1.085 -13.555 -0.991 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -3.431 -12.800 -1.113 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -3.155 -13.894 0.263 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -3.297 -12.140 0.534 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -1.625 -11.351 -1.945 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -1.401 -10.610 -0.343 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -0.022 -11.370 -1.172 1.00 1.31 H new ATOM 858 N LYS A 75 -0.230 -10.716 1.918 1.00 0.44 N ATOM 859 CA LYS A 75 -0.504 -9.481 2.632 1.00 0.52 C ATOM 860 C LYS A 75 -0.049 -8.297 1.791 1.00 0.42 C ATOM 861 O LYS A 75 1.026 -8.331 1.185 1.00 0.45 O ATOM 862 CB LYS A 75 0.187 -9.471 3.999 1.00 0.76 C ATOM 863 CG LYS A 75 1.691 -9.700 3.938 1.00 1.20 C ATOM 864 CD LYS A 75 2.319 -9.660 5.323 1.00 1.52 C ATOM 865 CE LYS A 75 2.210 -8.278 5.950 1.00 1.90 C ATOM 866 NZ LYS A 75 2.680 -8.272 7.357 1.00 2.58 N ATOM 0 H LYS A 75 0.653 -10.714 1.407 1.00 0.44 H new ATOM 0 HA LYS A 75 -1.577 -9.406 2.805 1.00 0.52 H new ATOM 0 HB2 LYS A 75 -0.004 -8.514 4.484 1.00 0.76 H new ATOM 0 HB3 LYS A 75 -0.262 -10.241 4.626 1.00 0.76 H new ATOM 0 HG2 LYS A 75 1.894 -10.665 3.473 1.00 1.20 H new ATOM 0 HG3 LYS A 75 2.150 -8.939 3.307 1.00 1.20 H new ATOM 0 HD2 LYS A 75 1.829 -10.391 5.966 1.00 1.52 H new ATOM 0 HD3 LYS A 75 3.368 -9.947 5.255 1.00 1.52 H new ATOM 0 HE2 LYS A 75 2.797 -7.568 5.368 1.00 1.90 H new ATOM 0 HE3 LYS A 75 1.174 -7.942 5.912 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 3.263 -7.427 7.525 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 1.860 -8.260 7.997 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 3.247 -9.125 7.537 1.00 2.58 H new ATOM 880 N VAL A 76 -0.867 -7.260 1.740 1.00 0.42 N ATOM 881 CA VAL A 76 -0.566 -6.104 0.916 1.00 0.39 C ATOM 882 C VAL A 76 -0.672 -4.812 1.721 1.00 0.38 C ATOM 883 O VAL A 76 -1.626 -4.605 2.476 1.00 0.50 O ATOM 884 CB VAL A 76 -1.483 -6.048 -0.333 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.948 -6.091 0.061 1.00 0.88 C ATOM 886 CG2 VAL A 76 -1.188 -4.813 -1.174 1.00 1.16 C ATOM 0 H VAL A 76 -1.743 -7.195 2.259 1.00 0.42 H new ATOM 0 HA VAL A 76 0.463 -6.206 0.572 1.00 0.39 H new ATOM 0 HB VAL A 76 -1.270 -6.929 -0.938 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -3.567 -6.050 -0.835 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -3.152 -7.015 0.602 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -3.178 -5.238 0.700 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -1.845 -4.799 -2.043 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.357 -3.917 -0.577 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -0.150 -4.838 -1.505 1.00 1.16 H new ATOM 896 N LEU A 77 0.332 -3.963 1.574 1.00 0.35 N ATOM 897 CA LEU A 77 0.369 -2.686 2.263 1.00 0.41 C ATOM 898 C LEU A 77 0.024 -1.555 1.301 1.00 0.39 C ATOM 899 O LEU A 77 0.659 -1.403 0.260 1.00 0.43 O ATOM 900 CB LEU A 77 1.755 -2.453 2.871 1.00 0.54 C ATOM 901 CG LEU A 77 1.943 -1.105 3.572 1.00 0.62 C ATOM 902 CD1 LEU A 77 0.995 -0.977 4.755 1.00 0.90 C ATOM 903 CD2 LEU A 77 3.386 -0.934 4.018 1.00 1.35 C ATOM 0 H LEU A 77 1.140 -4.139 0.977 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.370 -2.702 3.064 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.957 -3.248 3.588 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.500 -2.540 2.080 1.00 0.54 H new ATOM 0 HG LEU A 77 1.707 -0.313 2.862 1.00 0.62 H new ATOM 0 HD11 LEU A 77 1.145 -0.012 5.239 1.00 0.90 H new ATOM 0 HD12 LEU A 77 -0.035 -1.051 4.406 1.00 0.90 H new ATOM 0 HD13 LEU A 77 1.194 -1.776 5.469 1.00 0.90 H new ATOM 0 HD21 LEU A 77 3.502 0.030 4.514 1.00 1.35 H new ATOM 0 HD22 LEU A 77 3.650 -1.733 4.711 1.00 1.35 H new ATOM 0 HD23 LEU A 77 4.043 -0.976 3.149 1.00 1.35 H new ATOM 915 N VAL A 78 -0.988 -0.779 1.650 1.00 0.37 N ATOM 916 CA VAL A 78 -1.396 0.361 0.849 1.00 0.36 C ATOM 917 C VAL A 78 -0.922 1.655 1.495 1.00 0.36 C ATOM 918 O VAL A 78 -1.275 1.956 2.638 1.00 0.38 O ATOM 919 CB VAL A 78 -2.928 0.415 0.672 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.329 1.608 -0.186 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.443 -0.879 0.065 1.00 1.01 C ATOM 0 H VAL A 78 -1.547 -0.921 2.492 1.00 0.37 H new ATOM 0 HA VAL A 78 -0.939 0.247 -0.134 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.381 0.535 1.656 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.413 1.627 -0.298 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -2.997 2.529 0.294 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -2.864 1.523 -1.168 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.525 -0.821 -0.052 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -2.981 -1.033 -0.910 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.193 -1.713 0.721 1.00 1.01 H new ATOM 931 N LEU A 79 -0.115 2.406 0.768 1.00 0.38 N ATOM 932 CA LEU A 79 0.411 3.667 1.262 1.00 0.40 C ATOM 933 C LEU A 79 -0.389 4.829 0.693 1.00 0.37 C ATOM 934 O LEU A 79 -0.234 5.193 -0.475 1.00 0.41 O ATOM 935 CB LEU A 79 1.895 3.830 0.902 1.00 0.46 C ATOM 936 CG LEU A 79 2.868 2.838 1.559 1.00 0.58 C ATOM 937 CD1 LEU A 79 2.628 2.747 3.058 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.769 1.465 0.915 1.00 1.37 C ATOM 0 H LEU A 79 0.193 2.163 -0.174 1.00 0.38 H new ATOM 0 HA LEU A 79 0.321 3.665 2.348 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.996 3.743 -0.180 1.00 0.46 H new ATOM 0 HB3 LEU A 79 2.203 4.840 1.171 1.00 0.46 H new ATOM 0 HG LEU A 79 3.879 3.213 1.400 1.00 0.58 H new ATOM 0 HD11 LEU A 79 3.330 2.038 3.497 1.00 1.23 H new ATOM 0 HD12 LEU A 79 2.773 3.728 3.510 1.00 1.23 H new ATOM 0 HD13 LEU A 79 1.608 2.409 3.243 1.00 1.23 H new ATOM 0 HD21 LEU A 79 3.469 0.784 1.400 1.00 1.37 H new ATOM 0 HD22 LEU A 79 1.754 1.083 1.027 1.00 1.37 H new ATOM 0 HD23 LEU A 79 3.013 1.542 -0.145 1.00 1.37 H new ATOM 950 N ILE A 80 -1.252 5.396 1.520 1.00 0.41 N ATOM 951 CA ILE A 80 -2.067 6.529 1.118 1.00 0.43 C ATOM 952 C ILE A 80 -1.274 7.816 1.290 1.00 0.41 C ATOM 953 O ILE A 80 -0.866 8.163 2.398 1.00 0.42 O ATOM 954 CB ILE A 80 -3.370 6.609 1.940 1.00 0.54 C ATOM 955 CG1 ILE A 80 -4.121 5.275 1.878 1.00 1.23 C ATOM 956 CG2 ILE A 80 -4.246 7.744 1.425 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.364 5.231 2.742 1.00 1.40 C ATOM 0 H ILE A 80 -1.406 5.087 2.480 1.00 0.41 H new ATOM 0 HA ILE A 80 -2.337 6.395 0.070 1.00 0.43 H new ATOM 0 HB ILE A 80 -3.118 6.812 2.981 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -4.402 5.075 0.844 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.448 4.475 2.186 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -5.163 7.791 2.012 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.708 8.688 1.515 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -4.494 7.566 0.379 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -5.840 4.255 2.645 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.089 5.399 3.783 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -6.058 6.007 2.420 1.00 1.40 H new ATOM 969 N THR A 81 -1.044 8.507 0.191 1.00 0.60 N ATOM 970 CA THR A 81 -0.209 9.690 0.198 1.00 0.69 C ATOM 971 C THR A 81 -0.991 10.928 0.617 1.00 0.79 C ATOM 972 O THR A 81 -1.960 11.318 -0.039 1.00 1.20 O ATOM 973 CB THR A 81 0.408 9.915 -1.190 1.00 1.13 C ATOM 974 OG1 THR A 81 -0.631 10.037 -2.170 1.00 2.07 O ATOM 975 CG2 THR A 81 1.320 8.756 -1.557 1.00 1.92 C ATOM 0 H THR A 81 -1.427 8.267 -0.723 1.00 0.60 H new ATOM 0 HA THR A 81 0.584 9.526 0.928 1.00 0.69 H new ATOM 0 HB THR A 81 0.995 10.833 -1.166 1.00 1.13 H new ATOM 0 HG1 THR A 81 -1.429 10.425 -1.754 1.00 2.07 H new ATOM 0 HG21 THR A 81 1.750 8.930 -2.543 1.00 1.92 H new ATOM 0 HG22 THR A 81 2.120 8.676 -0.821 1.00 1.92 H new ATOM 0 HG23 THR A 81 0.745 7.830 -1.570 1.00 1.92 H new ATOM 983 N GLY A 82 -0.564 11.540 1.707 1.00 0.73 N ATOM 984 CA GLY A 82 -1.208 12.742 2.183 1.00 1.09 C ATOM 985 C GLY A 82 -2.378 12.442 3.094 1.00 0.92 C ATOM 986 O GLY A 82 -2.659 11.285 3.399 1.00 1.03 O ATOM 0 H GLY A 82 0.222 11.223 2.274 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -0.481 13.354 2.717 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -1.554 13.328 1.332 1.00 1.09 H new ATOM 990 N SER A 83 -3.057 13.485 3.528 1.00 1.03 N ATOM 991 CA SER A 83 -4.211 13.335 4.391 1.00 1.19 C ATOM 992 C SER A 83 -5.465 13.104 3.553 1.00 1.10 C ATOM 993 O SER A 83 -5.727 13.837 2.598 1.00 1.22 O ATOM 994 CB SER A 83 -4.363 14.581 5.266 1.00 1.61 C ATOM 995 OG SER A 83 -5.503 14.497 6.105 1.00 2.22 O ATOM 0 H SER A 83 -2.827 14.451 3.295 1.00 1.03 H new ATOM 0 HA SER A 83 -4.070 12.469 5.038 1.00 1.19 H new ATOM 0 HB2 SER A 83 -3.470 14.707 5.878 1.00 1.61 H new ATOM 0 HB3 SER A 83 -4.442 15.464 4.632 1.00 1.61 H new ATOM 0 HG SER A 83 -5.568 15.308 6.651 1.00 2.22 H new ATOM 1001 N ALA A 84 -6.225 12.077 3.903 1.00 1.02 N ATOM 1002 CA ALA A 84 -7.446 11.753 3.182 1.00 0.95 C ATOM 1003 C ALA A 84 -8.577 12.690 3.585 1.00 0.97 C ATOM 1004 O ALA A 84 -9.007 12.702 4.740 1.00 1.13 O ATOM 1005 CB ALA A 84 -7.838 10.305 3.431 1.00 0.97 C ATOM 0 H ALA A 84 -6.017 11.453 4.683 1.00 1.02 H new ATOM 0 HA ALA A 84 -7.260 11.885 2.116 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -8.753 10.077 2.885 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -7.038 9.648 3.089 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -8.003 10.151 4.497 1.00 0.97 H new ATOM 1011 N ASP A 85 -9.044 13.483 2.628 1.00 0.89 N ATOM 1012 CA ASP A 85 -10.156 14.400 2.860 1.00 0.93 C ATOM 1013 C ASP A 85 -11.455 13.625 3.075 1.00 0.81 C ATOM 1014 O ASP A 85 -11.539 12.457 2.702 1.00 0.71 O ATOM 1015 CB ASP A 85 -10.294 15.380 1.689 1.00 1.02 C ATOM 1016 CG ASP A 85 -9.340 16.552 1.802 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -9.577 17.435 2.653 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -8.351 16.603 1.037 1.00 1.92 O ATOM 0 H ASP A 85 -8.669 13.510 1.680 1.00 0.89 H new ATOM 0 HA ASP A 85 -9.950 14.973 3.764 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -10.108 14.853 0.753 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -11.318 15.751 1.648 1.00 1.02 H new ATOM 1023 N PRO A 86 -12.477 14.267 3.687 1.00 0.92 N ATOM 1024 CA PRO A 86 -13.741 13.622 4.078 1.00 0.95 C ATOM 1025 C PRO A 86 -14.271 12.571 3.096 1.00 0.85 C ATOM 1026 O PRO A 86 -14.578 11.448 3.497 1.00 0.88 O ATOM 1027 CB PRO A 86 -14.697 14.803 4.152 1.00 1.11 C ATOM 1028 CG PRO A 86 -13.852 15.922 4.649 1.00 1.30 C ATOM 1029 CD PRO A 86 -12.476 15.698 4.074 1.00 1.11 C ATOM 0 HA PRO A 86 -13.617 13.054 5.000 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -15.126 15.030 3.176 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -15.529 14.601 4.827 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -14.254 16.884 4.332 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -13.822 15.933 5.739 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -12.293 16.344 3.215 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -11.698 15.913 4.806 1.00 1.11 H new ATOM 1037 N ASP A 87 -14.365 12.921 1.817 1.00 0.82 N ATOM 1038 CA ASP A 87 -14.930 12.004 0.825 1.00 0.86 C ATOM 1039 C ASP A 87 -14.010 10.809 0.607 1.00 0.74 C ATOM 1040 O ASP A 87 -14.454 9.660 0.634 1.00 0.79 O ATOM 1041 CB ASP A 87 -15.184 12.717 -0.501 1.00 1.02 C ATOM 1042 CG ASP A 87 -15.937 11.846 -1.485 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -15.294 11.213 -2.346 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -17.184 11.798 -1.407 1.00 2.21 O ATOM 0 H ASP A 87 -14.062 13.821 1.443 1.00 0.82 H new ATOM 0 HA ASP A 87 -15.884 11.646 1.212 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -15.752 13.629 -0.318 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -14.232 13.017 -0.939 1.00 1.02 H new ATOM 1049 N GLU A 88 -12.723 11.090 0.419 1.00 0.68 N ATOM 1050 CA GLU A 88 -11.721 10.043 0.234 1.00 0.67 C ATOM 1051 C GLU A 88 -11.695 9.131 1.454 1.00 0.55 C ATOM 1052 O GLU A 88 -11.618 7.908 1.337 1.00 0.54 O ATOM 1053 CB GLU A 88 -10.328 10.651 0.043 1.00 0.80 C ATOM 1054 CG GLU A 88 -10.265 11.769 -0.985 1.00 1.02 C ATOM 1055 CD GLU A 88 -10.643 11.312 -2.376 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -11.737 11.680 -2.849 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -9.852 10.585 -3.006 1.00 2.32 O ATOM 0 H GLU A 88 -12.348 12.038 0.391 1.00 0.68 H new ATOM 0 HA GLU A 88 -11.988 9.472 -0.656 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -9.978 11.035 1.001 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -9.638 9.861 -0.255 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -10.932 12.575 -0.679 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -9.256 12.181 -1.005 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.766 9.754 2.624 1.00 0.57 N ATOM 1065 CA LYS A 89 -11.761 9.044 3.892 1.00 0.62 C ATOM 1066 C LYS A 89 -12.975 8.125 3.980 1.00 0.59 C ATOM 1067 O LYS A 89 -12.876 6.997 4.456 1.00 0.64 O ATOM 1068 CB LYS A 89 -11.753 10.063 5.043 1.00 0.77 C ATOM 1069 CG LYS A 89 -11.242 9.523 6.373 1.00 1.34 C ATOM 1070 CD LYS A 89 -12.271 8.659 7.084 1.00 1.77 C ATOM 1071 CE LYS A 89 -11.766 8.191 8.439 1.00 2.39 C ATOM 1072 NZ LYS A 89 -11.541 9.327 9.373 1.00 2.81 N ATOM 0 H LYS A 89 -11.829 10.768 2.718 1.00 0.57 H new ATOM 0 HA LYS A 89 -10.866 8.426 3.966 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -11.137 10.914 4.752 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -12.767 10.437 5.185 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -10.338 8.939 6.201 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -10.965 10.357 7.018 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -13.194 9.224 7.214 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -12.511 7.794 6.466 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -12.487 7.500 8.876 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -10.835 7.639 8.308 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -11.446 8.965 10.343 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -10.671 9.830 9.105 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -12.348 9.981 9.325 1.00 2.81 H new ATOM 1086 N THR A 90 -14.113 8.607 3.494 1.00 0.62 N ATOM 1087 CA THR A 90 -15.339 7.820 3.487 1.00 0.69 C ATOM 1088 C THR A 90 -15.194 6.596 2.582 1.00 0.62 C ATOM 1089 O THR A 90 -15.653 5.501 2.918 1.00 0.69 O ATOM 1090 CB THR A 90 -16.540 8.670 3.028 1.00 0.86 C ATOM 1091 OG1 THR A 90 -16.659 9.829 3.866 1.00 1.33 O ATOM 1092 CG2 THR A 90 -17.834 7.871 3.081 1.00 1.17 C ATOM 0 H THR A 90 -14.211 9.542 3.099 1.00 0.62 H new ATOM 0 HA THR A 90 -15.520 7.484 4.508 1.00 0.69 H new ATOM 0 HB THR A 90 -16.366 8.973 1.995 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.896 10.424 3.712 1.00 1.33 H new ATOM 0 HG21 THR A 90 -18.662 8.498 2.751 1.00 1.17 H new ATOM 0 HG22 THR A 90 -17.753 7.003 2.426 1.00 1.17 H new ATOM 0 HG23 THR A 90 -18.015 7.539 4.103 1.00 1.17 H new ATOM 1100 N LYS A 91 -14.540 6.784 1.443 1.00 0.57 N ATOM 1101 CA LYS A 91 -14.291 5.686 0.519 1.00 0.64 C ATOM 1102 C LYS A 91 -13.303 4.696 1.122 1.00 0.63 C ATOM 1103 O LYS A 91 -13.487 3.480 1.029 1.00 0.73 O ATOM 1104 CB LYS A 91 -13.739 6.211 -0.811 1.00 0.73 C ATOM 1105 CG LYS A 91 -14.674 7.161 -1.540 1.00 1.06 C ATOM 1106 CD LYS A 91 -15.977 6.482 -1.924 1.00 1.51 C ATOM 1107 CE LYS A 91 -16.918 7.453 -2.613 1.00 1.83 C ATOM 1108 NZ LYS A 91 -18.218 6.823 -2.965 1.00 2.41 N ATOM 0 H LYS A 91 -14.173 7.685 1.137 1.00 0.57 H new ATOM 0 HA LYS A 91 -15.239 5.181 0.335 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -12.794 6.721 -0.624 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -13.520 5.364 -1.461 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -14.885 8.022 -0.906 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -14.182 7.539 -2.437 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -15.771 5.640 -2.585 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -16.456 6.077 -1.032 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -17.096 8.308 -1.961 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -16.445 7.835 -3.518 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -18.828 7.523 -3.433 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -18.053 6.023 -3.608 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -18.684 6.482 -2.100 1.00 2.41 H new ATOM 1122 N ALA A 92 -12.274 5.228 1.765 1.00 0.58 N ATOM 1123 CA ALA A 92 -11.192 4.419 2.290 1.00 0.67 C ATOM 1124 C ALA A 92 -11.631 3.629 3.513 1.00 0.68 C ATOM 1125 O ALA A 92 -11.358 2.439 3.608 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.993 5.295 2.626 1.00 0.74 C ATOM 0 H ALA A 92 -12.169 6.228 1.935 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.904 3.705 1.519 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -9.188 4.674 3.019 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.651 5.805 1.725 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -10.280 6.034 3.374 1.00 0.74 H new ATOM 1132 N LYS A 93 -12.336 4.283 4.431 1.00 0.64 N ATOM 1133 CA LYS A 93 -12.687 3.657 5.701 1.00 0.71 C ATOM 1134 C LYS A 93 -13.573 2.427 5.496 1.00 0.70 C ATOM 1135 O LYS A 93 -13.467 1.446 6.235 1.00 0.79 O ATOM 1136 CB LYS A 93 -13.365 4.664 6.643 1.00 0.80 C ATOM 1137 CG LYS A 93 -14.772 5.072 6.231 1.00 1.09 C ATOM 1138 CD LYS A 93 -15.297 6.202 7.103 1.00 1.56 C ATOM 1139 CE LYS A 93 -16.768 6.482 6.840 1.00 2.00 C ATOM 1140 NZ LYS A 93 -17.649 5.413 7.382 1.00 2.44 N ATOM 0 H LYS A 93 -12.673 5.239 4.321 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.760 3.324 6.167 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -13.404 4.235 7.644 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -12.745 5.558 6.704 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -14.771 5.386 5.187 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -15.439 4.213 6.305 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -15.158 5.945 8.153 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -14.716 7.105 6.916 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -17.040 7.437 7.289 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -16.932 6.576 5.767 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -18.642 5.715 7.317 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -17.516 4.541 6.831 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -17.406 5.234 8.377 1.00 2.44 H new ATOM 1154 N LYS A 94 -14.432 2.481 4.484 1.00 0.66 N ATOM 1155 CA LYS A 94 -15.320 1.369 4.174 1.00 0.71 C ATOM 1156 C LYS A 94 -14.573 0.288 3.399 1.00 0.67 C ATOM 1157 O LYS A 94 -14.589 -0.883 3.775 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.519 1.861 3.358 1.00 0.78 C ATOM 1159 CG LYS A 94 -17.497 0.760 2.966 1.00 1.36 C ATOM 1160 CD LYS A 94 -18.200 0.162 4.176 1.00 1.79 C ATOM 1161 CE LYS A 94 -19.164 -0.948 3.775 1.00 2.57 C ATOM 1162 NZ LYS A 94 -20.229 -0.464 2.854 1.00 2.85 N ATOM 0 H LYS A 94 -14.531 3.285 3.864 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.678 0.943 5.111 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -17.052 2.617 3.934 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -16.154 2.348 2.453 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -18.240 1.164 2.278 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -16.963 -0.026 2.432 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -17.458 -0.233 4.870 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -18.745 0.944 4.704 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -18.608 -1.753 3.294 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -19.623 -1.368 4.670 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -20.962 -1.195 2.756 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -20.654 0.403 3.240 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -19.816 -0.261 1.921 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.902 0.696 2.328 1.00 0.60 N ATOM 1177 CA ALA A 95 -13.209 -0.243 1.457 1.00 0.60 C ATOM 1178 C ALA A 95 -12.084 -0.956 2.196 1.00 0.57 C ATOM 1179 O ALA A 95 -11.914 -2.165 2.061 1.00 0.57 O ATOM 1180 CB ALA A 95 -12.672 0.474 0.227 1.00 0.63 C ATOM 0 H ALA A 95 -13.824 1.672 2.043 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.927 -0.998 1.137 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -12.157 -0.241 -0.415 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -13.499 0.924 -0.322 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.975 1.253 0.535 1.00 0.63 H new ATOM 1186 N ALA A 96 -11.329 -0.204 2.992 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.214 -0.769 3.742 1.00 0.58 C ATOM 1188 C ALA A 96 -10.707 -1.748 4.793 1.00 0.56 C ATOM 1189 O ALA A 96 -10.008 -2.689 5.140 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.384 0.326 4.391 1.00 0.64 C ATOM 0 H ALA A 96 -11.469 0.796 3.133 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.581 -1.309 3.038 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -8.559 -0.122 4.944 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -8.987 0.987 3.620 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -10.010 0.900 5.075 1.00 0.64 H new ATOM 1196 N GLU A 97 -11.915 -1.521 5.296 1.00 0.57 N ATOM 1197 CA GLU A 97 -12.506 -2.418 6.275 1.00 0.63 C ATOM 1198 C GLU A 97 -12.868 -3.745 5.615 1.00 0.55 C ATOM 1199 O GLU A 97 -12.585 -4.818 6.151 1.00 0.58 O ATOM 1200 CB GLU A 97 -13.750 -1.788 6.902 1.00 0.80 C ATOM 1201 CG GLU A 97 -14.314 -2.590 8.061 1.00 1.46 C ATOM 1202 CD GLU A 97 -13.356 -2.665 9.231 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -13.481 -1.835 10.154 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -12.473 -3.548 9.237 1.00 2.39 O ATOM 0 H GLU A 97 -12.501 -0.726 5.042 1.00 0.57 H new ATOM 0 HA GLU A 97 -11.776 -2.599 7.064 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -13.504 -0.785 7.250 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -14.519 -1.680 6.137 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -15.250 -2.139 8.390 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -14.548 -3.599 7.721 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.481 -3.663 4.441 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.857 -4.854 3.693 1.00 0.57 C ATOM 1213 C GLU A 98 -12.613 -5.610 3.238 1.00 0.52 C ATOM 1214 O GLU A 98 -12.489 -6.816 3.456 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.709 -4.478 2.477 1.00 0.66 C ATOM 1216 CG GLU A 98 -15.944 -3.658 2.820 1.00 1.40 C ATOM 1217 CD GLU A 98 -16.835 -4.342 3.834 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -17.568 -5.278 3.453 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -16.812 -3.948 5.017 1.00 2.66 O ATOM 0 H GLU A 98 -13.728 -2.784 3.987 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.444 -5.498 4.349 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -14.094 -3.915 1.775 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -15.020 -5.390 1.968 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -15.635 -2.688 3.210 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -16.514 -3.469 1.910 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.680 -4.879 2.641 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.466 -5.468 2.092 1.00 0.49 C ATOM 1228 C ALA A 99 -9.506 -5.925 3.188 1.00 0.46 C ATOM 1229 O ALA A 99 -8.600 -6.717 2.937 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.777 -4.475 1.169 1.00 0.58 C ATOM 0 H ALA A 99 -11.743 -3.868 2.524 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.756 -6.352 1.523 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.870 -4.924 0.763 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -10.448 -4.211 0.352 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.518 -3.577 1.729 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.714 -5.434 4.406 1.00 0.47 N ATOM 1237 CA ARG A 100 -8.843 -5.764 5.535 1.00 0.53 C ATOM 1238 C ARG A 100 -8.813 -7.270 5.792 1.00 0.51 C ATOM 1239 O ARG A 100 -7.820 -7.803 6.288 1.00 0.56 O ATOM 1240 CB ARG A 100 -9.300 -5.010 6.787 1.00 0.64 C ATOM 1241 CG ARG A 100 -8.433 -5.245 8.012 1.00 1.22 C ATOM 1242 CD ARG A 100 -8.746 -4.240 9.110 1.00 1.52 C ATOM 1243 NE ARG A 100 -8.240 -2.904 8.792 1.00 2.17 N ATOM 1244 CZ ARG A 100 -8.993 -1.802 8.748 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -10.302 -1.865 8.956 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -8.431 -0.627 8.489 1.00 3.77 N ATOM 0 H ARG A 100 -10.481 -4.803 4.639 1.00 0.47 H new ATOM 0 HA ARG A 100 -7.828 -5.453 5.286 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -9.316 -3.942 6.568 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -10.324 -5.303 7.020 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -8.593 -6.257 8.385 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -7.381 -5.170 7.736 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -9.824 -4.193 9.261 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -8.307 -4.580 10.048 1.00 1.52 H new ATOM 0 HE ARG A 100 -7.245 -2.808 8.590 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -10.745 -2.763 9.152 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -10.866 -1.016 8.920 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -7.426 -0.568 8.324 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -9.004 0.216 8.455 1.00 3.77 H new ATOM 1260 N LYS A 101 -9.892 -7.958 5.424 1.00 0.51 N ATOM 1261 CA LYS A 101 -9.959 -9.410 5.567 1.00 0.58 C ATOM 1262 C LYS A 101 -8.883 -10.079 4.714 1.00 0.63 C ATOM 1263 O LYS A 101 -8.370 -11.144 5.055 1.00 0.81 O ATOM 1264 CB LYS A 101 -11.333 -9.936 5.146 1.00 0.74 C ATOM 1265 CG LYS A 101 -12.500 -9.287 5.869 1.00 1.37 C ATOM 1266 CD LYS A 101 -13.808 -9.983 5.527 1.00 1.81 C ATOM 1267 CE LYS A 101 -15.010 -9.221 6.059 1.00 2.63 C ATOM 1268 NZ LYS A 101 -15.140 -7.882 5.425 1.00 3.24 N ATOM 0 H LYS A 101 -10.730 -7.534 5.026 1.00 0.51 H new ATOM 0 HA LYS A 101 -9.793 -9.650 6.617 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -11.455 -9.783 4.074 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -11.366 -11.012 5.320 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -12.333 -9.327 6.945 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -12.562 -8.234 5.595 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -13.893 -10.086 4.445 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -13.803 -10.990 5.943 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -15.916 -9.799 5.877 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -14.918 -9.104 7.139 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -16.105 -7.522 5.570 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -14.457 -7.226 5.856 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -14.949 -7.960 4.406 1.00 3.24 H new ATOM 1282 N TRP A 102 -8.529 -9.422 3.617 1.00 0.57 N ATOM 1283 CA TRP A 102 -7.554 -9.953 2.675 1.00 0.71 C ATOM 1284 C TRP A 102 -6.145 -9.499 3.049 1.00 0.64 C ATOM 1285 O TRP A 102 -5.235 -9.527 2.222 1.00 0.73 O ATOM 1286 CB TRP A 102 -7.889 -9.488 1.255 1.00 0.84 C ATOM 1287 CG TRP A 102 -9.262 -9.879 0.793 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -10.421 -9.186 0.990 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -9.616 -11.050 0.049 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -11.475 -9.854 0.417 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -11.007 -11.003 -0.167 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -8.893 -12.135 -0.457 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -11.687 -11.996 -0.866 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -9.570 -13.121 -1.149 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -10.954 -13.045 -1.348 1.00 2.21 C ATOM 0 H TRP A 102 -8.907 -8.511 3.357 1.00 0.57 H new ATOM 0 HA TRP A 102 -7.593 -11.042 2.715 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -7.796 -8.403 1.208 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -7.153 -9.901 0.565 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -10.498 -8.248 1.520 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -12.447 -9.546 0.425 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -7.825 -12.201 -0.310 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -12.754 -11.940 -1.022 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -9.022 -13.964 -1.543 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -11.453 -13.832 -1.894 1.00 2.21 H new ATOM 1306 N ASN A 103 -5.986 -9.072 4.302 1.00 0.56 N ATOM 1307 CA ASN A 103 -4.701 -8.606 4.828 1.00 0.64 C ATOM 1308 C ASN A 103 -4.261 -7.314 4.149 1.00 0.56 C ATOM 1309 O ASN A 103 -3.066 -7.046 4.011 1.00 0.70 O ATOM 1310 CB ASN A 103 -3.610 -9.676 4.682 1.00 0.89 C ATOM 1311 CG ASN A 103 -3.880 -10.908 5.523 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -4.495 -10.832 6.586 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -3.417 -12.054 5.055 1.00 2.00 N ATOM 0 H ASN A 103 -6.745 -9.039 4.982 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.845 -8.408 5.890 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -3.530 -9.967 3.635 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -2.649 -9.250 4.968 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -3.565 -12.916 5.580 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -2.912 -12.076 4.169 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.234 -6.518 3.723 1.00 0.46 N ATOM 1321 CA VAL A 104 -4.952 -5.211 3.152 1.00 0.45 C ATOM 1322 C VAL A 104 -4.764 -4.192 4.270 1.00 0.48 C ATOM 1323 O VAL A 104 -5.701 -3.875 5.004 1.00 0.63 O ATOM 1324 CB VAL A 104 -6.076 -4.743 2.199 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.779 -3.357 1.644 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -6.262 -5.742 1.066 1.00 0.99 C ATOM 0 H VAL A 104 -6.225 -6.757 3.763 1.00 0.46 H new ATOM 0 HA VAL A 104 -4.036 -5.294 2.567 1.00 0.45 H new ATOM 0 HB VAL A 104 -7.003 -4.687 2.770 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -6.585 -3.052 0.977 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.699 -2.645 2.466 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.840 -3.380 1.091 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -7.057 -5.398 0.404 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -5.333 -5.830 0.502 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.529 -6.715 1.479 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.540 -3.709 4.415 1.00 0.45 N ATOM 1337 CA ARG A 105 -3.212 -2.764 5.471 1.00 0.48 C ATOM 1338 C ARG A 105 -3.067 -1.367 4.890 1.00 0.44 C ATOM 1339 O ARG A 105 -2.375 -1.178 3.895 1.00 0.51 O ATOM 1340 CB ARG A 105 -1.911 -3.175 6.168 1.00 0.59 C ATOM 1341 CG ARG A 105 -1.902 -4.619 6.650 1.00 1.28 C ATOM 1342 CD ARG A 105 -3.075 -4.913 7.571 1.00 1.72 C ATOM 1343 NE ARG A 105 -3.054 -4.088 8.778 1.00 2.38 N ATOM 1344 CZ ARG A 105 -3.832 -4.296 9.839 1.00 3.11 C ATOM 1345 NH1 ARG A 105 -4.706 -5.297 9.844 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -3.740 -3.498 10.893 1.00 4.06 N ATOM 0 H ARG A 105 -2.755 -3.957 3.813 1.00 0.45 H new ATOM 0 HA ARG A 105 -4.019 -2.765 6.204 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -1.079 -3.026 5.480 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -1.742 -2.516 7.020 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -1.937 -5.289 5.791 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -0.968 -4.822 7.174 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -4.008 -4.742 7.033 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -3.058 -5.966 7.853 1.00 1.72 H new ATOM 0 HE ARG A 105 -2.403 -3.304 8.810 1.00 2.38 H new ATOM 0 HH11 ARG A 105 -4.783 -5.910 9.033 1.00 3.33 H new ATOM 0 HH12 ARG A 105 -5.299 -5.452 10.659 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -3.074 -2.725 10.891 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -4.335 -3.656 11.706 1.00 4.06 H new ATOM 1360 N VAL A 106 -3.719 -0.393 5.504 1.00 0.47 N ATOM 1361 CA VAL A 106 -3.676 0.977 5.007 1.00 0.48 C ATOM 1362 C VAL A 106 -2.872 1.877 5.938 1.00 0.50 C ATOM 1363 O VAL A 106 -3.122 1.929 7.142 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.097 1.557 4.808 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.812 0.819 3.691 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -5.913 1.482 6.095 1.00 1.58 C ATOM 0 H VAL A 106 -4.283 -0.522 6.344 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.181 0.947 4.037 1.00 0.48 H new ATOM 0 HB VAL A 106 -4.996 2.607 4.535 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.811 1.236 3.560 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -5.249 0.928 2.764 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -5.891 -0.238 3.945 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -6.906 1.897 5.921 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -6.005 0.442 6.408 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -5.413 2.053 6.877 1.00 1.58 H new ATOM 1376 N ARG A 107 -1.884 2.563 5.380 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.056 3.484 6.148 1.00 0.58 C ATOM 1378 C ARG A 107 -0.982 4.835 5.444 1.00 0.49 C ATOM 1379 O ARG A 107 -0.935 4.897 4.216 1.00 0.48 O ATOM 1380 CB ARG A 107 0.356 2.915 6.331 1.00 0.74 C ATOM 1381 CG ARG A 107 0.425 1.632 7.155 1.00 1.02 C ATOM 1382 CD ARG A 107 0.188 1.879 8.642 1.00 0.90 C ATOM 1383 NE ARG A 107 -1.183 2.290 8.936 1.00 1.58 N ATOM 1384 CZ ARG A 107 -1.597 2.730 10.122 1.00 2.15 C ATOM 1385 NH1 ARG A 107 -0.756 2.785 11.149 1.00 2.26 N ATOM 1386 NH2 ARG A 107 -2.862 3.100 10.284 1.00 3.00 N ATOM 0 H ARG A 107 -1.635 2.499 4.393 1.00 0.46 H new ATOM 0 HA ARG A 107 -1.509 3.617 7.130 1.00 0.58 H new ATOM 0 HB2 ARG A 107 0.786 2.723 5.348 1.00 0.74 H new ATOM 0 HB3 ARG A 107 0.979 3.671 6.809 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -0.318 0.926 6.784 1.00 1.02 H new ATOM 0 HG3 ARG A 107 1.402 1.168 7.018 1.00 1.02 H new ATOM 0 HD2 ARG A 107 0.417 0.970 9.198 1.00 0.90 H new ATOM 0 HD3 ARG A 107 0.876 2.648 8.992 1.00 0.90 H new ATOM 0 HE ARG A 107 -1.868 2.236 8.182 1.00 1.58 H new ATOM 0 HH11 ARG A 107 0.213 2.489 11.031 1.00 2.26 H new ATOM 0 HH12 ARG A 107 -1.079 3.123 12.055 1.00 2.26 H new ATOM 0 HH21 ARG A 107 -3.513 3.047 9.501 1.00 3.00 H new ATOM 0 HH22 ARG A 107 -3.182 3.438 11.192 1.00 3.00 H new ATOM 1400 N THR A 108 -0.985 5.908 6.222 1.00 0.56 N ATOM 1401 CA THR A 108 -0.883 7.250 5.671 1.00 0.51 C ATOM 1402 C THR A 108 0.578 7.678 5.579 1.00 0.52 C ATOM 1403 O THR A 108 1.332 7.565 6.547 1.00 0.66 O ATOM 1404 CB THR A 108 -1.666 8.268 6.528 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.044 7.880 6.614 1.00 0.86 O ATOM 1406 CG2 THR A 108 -1.568 9.670 5.941 1.00 0.68 C ATOM 0 H THR A 108 -1.057 5.874 7.239 1.00 0.56 H new ATOM 0 HA THR A 108 -1.318 7.230 4.672 1.00 0.51 H new ATOM 0 HB THR A 108 -1.225 8.279 7.525 1.00 0.59 H new ATOM 0 HG1 THR A 108 -3.533 8.530 7.161 1.00 0.86 H new ATOM 0 HG21 THR A 108 -2.129 10.366 6.565 1.00 0.68 H new ATOM 0 HG22 THR A 108 -0.523 9.977 5.904 1.00 0.68 H new ATOM 0 HG23 THR A 108 -1.982 9.672 4.933 1.00 0.68 H new ATOM 1414 N VAL A 109 0.974 8.155 4.409 1.00 0.47 N ATOM 1415 CA VAL A 109 2.341 8.592 4.179 1.00 0.55 C ATOM 1416 C VAL A 109 2.369 10.022 3.651 1.00 0.57 C ATOM 1417 O VAL A 109 1.703 10.342 2.669 1.00 0.62 O ATOM 1418 CB VAL A 109 3.065 7.668 3.175 1.00 0.67 C ATOM 1419 CG1 VAL A 109 4.441 8.212 2.828 1.00 1.51 C ATOM 1420 CG2 VAL A 109 3.176 6.258 3.731 1.00 1.05 C ATOM 0 H VAL A 109 0.362 8.249 3.599 1.00 0.47 H new ATOM 0 HA VAL A 109 2.859 8.547 5.137 1.00 0.55 H new ATOM 0 HB VAL A 109 2.473 7.635 2.260 1.00 0.67 H new ATOM 0 HG11 VAL A 109 4.929 7.542 2.120 1.00 1.51 H new ATOM 0 HG12 VAL A 109 4.339 9.201 2.381 1.00 1.51 H new ATOM 0 HG13 VAL A 109 5.043 8.283 3.734 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.689 5.622 3.010 1.00 1.05 H new ATOM 0 HG22 VAL A 109 3.741 6.278 4.663 1.00 1.05 H new ATOM 0 HG23 VAL A 109 2.178 5.862 3.920 1.00 1.05 H new ATOM 1430 N THR A 110 3.132 10.877 4.310 1.00 0.70 N ATOM 1431 CA THR A 110 3.306 12.245 3.850 1.00 0.84 C ATOM 1432 C THR A 110 4.746 12.486 3.406 1.00 0.84 C ATOM 1433 O THR A 110 5.013 13.335 2.557 1.00 0.97 O ATOM 1434 CB THR A 110 2.915 13.268 4.938 1.00 1.02 C ATOM 1435 OG1 THR A 110 3.606 12.992 6.167 1.00 1.55 O ATOM 1436 CG2 THR A 110 1.414 13.251 5.183 1.00 1.45 C ATOM 0 H THR A 110 3.641 10.649 5.164 1.00 0.70 H new ATOM 0 HA THR A 110 2.640 12.385 2.998 1.00 0.84 H new ATOM 0 HB THR A 110 3.204 14.257 4.582 1.00 1.02 H new ATOM 0 HG1 THR A 110 4.284 12.301 6.013 1.00 1.55 H new ATOM 0 HG21 THR A 110 1.163 13.980 5.953 1.00 1.45 H new ATOM 0 HG22 THR A 110 0.892 13.504 4.260 1.00 1.45 H new ATOM 0 HG23 THR A 110 1.110 12.257 5.511 1.00 1.45 H new ATOM 1444 N SER A 111 5.672 11.725 3.980 1.00 0.79 N ATOM 1445 CA SER A 111 7.079 11.840 3.639 1.00 0.85 C ATOM 1446 C SER A 111 7.670 10.461 3.335 1.00 0.76 C ATOM 1447 O SER A 111 7.260 9.452 3.911 1.00 0.69 O ATOM 1448 CB SER A 111 7.833 12.511 4.790 1.00 0.96 C ATOM 1449 OG SER A 111 7.657 11.804 6.007 1.00 1.52 O ATOM 0 H SER A 111 5.468 11.019 4.687 1.00 0.79 H new ATOM 0 HA SER A 111 7.181 12.455 2.745 1.00 0.85 H new ATOM 0 HB2 SER A 111 8.895 12.564 4.549 1.00 0.96 H new ATOM 0 HB3 SER A 111 7.481 13.536 4.909 1.00 0.96 H new ATOM 0 HG SER A 111 8.151 12.256 6.722 1.00 1.52 H new ATOM 1455 N PRO A 112 8.637 10.416 2.395 1.00 0.82 N ATOM 1456 CA PRO A 112 9.252 9.169 1.908 1.00 0.80 C ATOM 1457 C PRO A 112 9.871 8.312 3.006 1.00 0.70 C ATOM 1458 O PRO A 112 9.968 7.091 2.860 1.00 0.74 O ATOM 1459 CB PRO A 112 10.339 9.645 0.933 1.00 0.95 C ATOM 1460 CG PRO A 112 10.527 11.093 1.224 1.00 1.05 C ATOM 1461 CD PRO A 112 9.197 11.590 1.706 1.00 0.97 C ATOM 0 HA PRO A 112 8.497 8.525 1.457 1.00 0.80 H new ATOM 0 HB2 PRO A 112 11.267 9.092 1.079 1.00 0.95 H new ATOM 0 HB3 PRO A 112 10.034 9.489 -0.102 1.00 0.95 H new ATOM 0 HG2 PRO A 112 11.298 11.243 1.980 1.00 1.05 H new ATOM 0 HG3 PRO A 112 10.846 11.633 0.332 1.00 1.05 H new ATOM 0 HD2 PRO A 112 9.303 12.441 2.379 1.00 0.97 H new ATOM 0 HD3 PRO A 112 8.563 11.914 0.880 1.00 0.97 H new ATOM 1469 N ASP A 113 10.285 8.944 4.099 1.00 0.67 N ATOM 1470 CA ASP A 113 10.871 8.215 5.222 1.00 0.66 C ATOM 1471 C ASP A 113 9.831 7.314 5.873 1.00 0.59 C ATOM 1472 O ASP A 113 10.148 6.217 6.330 1.00 0.63 O ATOM 1473 CB ASP A 113 11.449 9.178 6.263 1.00 0.74 C ATOM 1474 CG ASP A 113 12.091 8.454 7.435 1.00 1.73 C ATOM 1475 OD1 ASP A 113 11.416 8.261 8.464 1.00 2.48 O ATOM 1476 OD2 ASP A 113 13.283 8.081 7.333 1.00 2.44 O ATOM 0 H ASP A 113 10.227 9.954 4.233 1.00 0.67 H new ATOM 0 HA ASP A 113 11.682 7.600 4.833 1.00 0.66 H new ATOM 0 HB2 ASP A 113 12.190 9.820 5.787 1.00 0.74 H new ATOM 0 HB3 ASP A 113 10.655 9.827 6.632 1.00 0.74 H new ATOM 1481 N GLU A 114 8.586 7.774 5.886 1.00 0.57 N ATOM 1482 CA GLU A 114 7.494 7.016 6.481 1.00 0.60 C ATOM 1483 C GLU A 114 7.221 5.754 5.676 1.00 0.52 C ATOM 1484 O GLU A 114 7.118 4.666 6.235 1.00 0.52 O ATOM 1485 CB GLU A 114 6.227 7.864 6.548 1.00 0.73 C ATOM 1486 CG GLU A 114 6.399 9.154 7.326 1.00 1.18 C ATOM 1487 CD GLU A 114 5.139 9.991 7.341 1.00 1.99 C ATOM 1488 OE1 GLU A 114 4.855 10.659 6.327 1.00 2.63 O ATOM 1489 OE2 GLU A 114 4.426 9.982 8.367 1.00 2.70 O ATOM 0 H GLU A 114 8.308 8.672 5.490 1.00 0.57 H new ATOM 0 HA GLU A 114 7.788 6.737 7.493 1.00 0.60 H new ATOM 0 HB2 GLU A 114 5.905 8.101 5.534 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.431 7.277 7.006 1.00 0.73 H new ATOM 0 HG2 GLU A 114 6.689 8.921 8.350 1.00 1.18 H new ATOM 0 HG3 GLU A 114 7.212 9.734 6.888 1.00 1.18 H new ATOM 1496 N ALA A 115 7.125 5.909 4.360 1.00 0.55 N ATOM 1497 CA ALA A 115 6.840 4.789 3.472 1.00 0.58 C ATOM 1498 C ALA A 115 7.855 3.672 3.654 1.00 0.51 C ATOM 1499 O ALA A 115 7.490 2.521 3.884 1.00 0.51 O ATOM 1500 CB ALA A 115 6.821 5.247 2.023 1.00 0.70 C ATOM 0 H ALA A 115 7.241 6.803 3.884 1.00 0.55 H new ATOM 0 HA ALA A 115 5.855 4.401 3.732 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.607 4.397 1.375 1.00 0.70 H new ATOM 0 HB2 ALA A 115 6.050 6.007 1.892 1.00 0.70 H new ATOM 0 HB3 ALA A 115 7.792 5.667 1.761 1.00 0.70 H new ATOM 1506 N LYS A 116 9.134 4.021 3.580 1.00 0.51 N ATOM 1507 CA LYS A 116 10.195 3.033 3.710 1.00 0.51 C ATOM 1508 C LYS A 116 10.265 2.491 5.138 1.00 0.44 C ATOM 1509 O LYS A 116 10.774 1.396 5.366 1.00 0.49 O ATOM 1510 CB LYS A 116 11.543 3.623 3.280 1.00 0.64 C ATOM 1511 CG LYS A 116 11.991 4.825 4.093 1.00 1.38 C ATOM 1512 CD LYS A 116 13.240 5.465 3.504 1.00 1.43 C ATOM 1513 CE LYS A 116 14.405 4.487 3.458 1.00 1.80 C ATOM 1514 NZ LYS A 116 15.609 5.084 2.823 1.00 2.33 N ATOM 0 H LYS A 116 9.459 4.976 3.431 1.00 0.51 H new ATOM 0 HA LYS A 116 9.964 2.199 3.047 1.00 0.51 H new ATOM 0 HB2 LYS A 116 12.305 2.847 3.352 1.00 0.64 H new ATOM 0 HB3 LYS A 116 11.481 3.912 2.231 1.00 0.64 H new ATOM 0 HG2 LYS A 116 11.187 5.560 4.130 1.00 1.38 H new ATOM 0 HG3 LYS A 116 12.189 4.517 5.120 1.00 1.38 H new ATOM 0 HD2 LYS A 116 13.025 5.823 2.497 1.00 1.43 H new ATOM 0 HD3 LYS A 116 13.518 6.335 4.099 1.00 1.43 H new ATOM 0 HE2 LYS A 116 14.650 4.167 4.471 1.00 1.80 H new ATOM 0 HE3 LYS A 116 14.108 3.595 2.906 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 16.434 4.478 3.006 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 15.457 5.163 1.797 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 15.779 6.030 3.221 1.00 2.33 H new ATOM 1528 N ARG A 117 9.733 3.253 6.089 1.00 0.42 N ATOM 1529 CA ARG A 117 9.691 2.818 7.477 1.00 0.44 C ATOM 1530 C ARG A 117 8.606 1.757 7.647 1.00 0.43 C ATOM 1531 O ARG A 117 8.857 0.687 8.203 1.00 0.50 O ATOM 1532 CB ARG A 117 9.429 4.017 8.403 1.00 0.57 C ATOM 1533 CG ARG A 117 10.109 3.918 9.762 1.00 0.90 C ATOM 1534 CD ARG A 117 9.467 2.867 10.653 1.00 1.39 C ATOM 1535 NE ARG A 117 8.136 3.268 11.108 1.00 1.99 N ATOM 1536 CZ ARG A 117 7.244 2.429 11.632 1.00 2.83 C ATOM 1537 NH1 ARG A 117 7.503 1.131 11.699 1.00 3.30 N ATOM 1538 NH2 ARG A 117 6.084 2.891 12.084 1.00 3.61 N ATOM 0 H ARG A 117 9.326 4.173 5.922 1.00 0.42 H new ATOM 0 HA ARG A 117 10.653 2.384 7.748 1.00 0.44 H new ATOM 0 HB2 ARG A 117 9.767 4.926 7.906 1.00 0.57 H new ATOM 0 HB3 ARG A 117 8.354 4.117 8.554 1.00 0.57 H new ATOM 0 HG2 ARG A 117 11.163 3.678 9.622 1.00 0.90 H new ATOM 0 HG3 ARG A 117 10.066 4.887 10.259 1.00 0.90 H new ATOM 0 HD2 ARG A 117 9.395 1.926 10.108 1.00 1.39 H new ATOM 0 HD3 ARG A 117 10.106 2.686 11.518 1.00 1.39 H new ATOM 0 HE ARG A 117 7.875 4.250 11.019 1.00 1.99 H new ATOM 0 HH11 ARG A 117 8.390 0.769 11.348 1.00 3.30 H new ATOM 0 HH12 ARG A 117 6.816 0.494 12.101 1.00 3.30 H new ATOM 0 HH21 ARG A 117 5.876 3.888 12.030 1.00 3.61 H new ATOM 0 HH22 ARG A 117 5.401 2.249 12.485 1.00 3.61 H new ATOM 1552 N TRP A 118 7.412 2.051 7.136 1.00 0.43 N ATOM 1553 CA TRP A 118 6.301 1.103 7.179 1.00 0.51 C ATOM 1554 C TRP A 118 6.662 -0.185 6.446 1.00 0.51 C ATOM 1555 O TRP A 118 6.583 -1.275 7.013 1.00 0.60 O ATOM 1556 CB TRP A 118 5.035 1.706 6.553 1.00 0.59 C ATOM 1557 CG TRP A 118 4.440 2.846 7.329 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.278 4.131 6.900 1.00 0.98 C ATOM 1559 CD2 TRP A 118 3.917 2.800 8.662 1.00 1.69 C ATOM 1560 NE1 TRP A 118 3.694 4.889 7.884 1.00 1.51 N ATOM 1561 CE2 TRP A 118 3.462 4.096 8.975 1.00 2.00 C ATOM 1562 CE3 TRP A 118 3.793 1.794 9.622 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 2.890 4.407 10.204 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 3.224 2.105 10.841 1.00 3.18 C ATOM 1565 CH2 TRP A 118 2.778 3.403 11.123 1.00 3.39 C ATOM 0 H TRP A 118 7.189 2.939 6.687 1.00 0.43 H new ATOM 0 HA TRP A 118 6.104 0.878 8.227 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.272 2.052 5.547 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.285 0.921 6.452 1.00 0.59 H new ATOM 0 HD1 TRP A 118 4.568 4.499 5.927 1.00 0.98 H new ATOM 0 HE1 TRP A 118 3.470 5.881 7.814 1.00 1.51 H new ATOM 0 HE3 TRP A 118 4.136 0.791 9.415 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 2.547 5.407 10.424 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 3.121 1.334 11.590 1.00 3.18 H new ATOM 0 HH2 TRP A 118 2.337 3.614 12.086 1.00 3.39 H new ATOM 1576 N ILE A 119 7.078 -0.044 5.189 1.00 0.48 N ATOM 1577 CA ILE A 119 7.405 -1.192 4.347 1.00 0.54 C ATOM 1578 C ILE A 119 8.457 -2.081 5.008 1.00 0.53 C ATOM 1579 O ILE A 119 8.362 -3.306 4.956 1.00 0.58 O ATOM 1580 CB ILE A 119 7.906 -0.742 2.952 1.00 0.60 C ATOM 1581 CG1 ILE A 119 6.811 0.044 2.225 1.00 0.67 C ATOM 1582 CG2 ILE A 119 8.340 -1.943 2.116 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.252 0.609 0.890 1.00 0.81 C ATOM 0 H ILE A 119 7.197 0.859 4.730 1.00 0.48 H new ATOM 0 HA ILE A 119 6.488 -1.767 4.221 1.00 0.54 H new ATOM 0 HB ILE A 119 8.772 -0.094 3.092 1.00 0.60 H new ATOM 0 HG12 ILE A 119 5.952 -0.608 2.068 1.00 0.67 H new ATOM 0 HG13 ILE A 119 6.478 0.862 2.864 1.00 0.67 H new ATOM 0 HG21 ILE A 119 8.688 -1.601 1.141 1.00 0.69 H new ATOM 0 HG22 ILE A 119 9.148 -2.468 2.626 1.00 0.69 H new ATOM 0 HG23 ILE A 119 7.495 -2.619 1.983 1.00 0.69 H new ATOM 0 HD11 ILE A 119 6.425 1.152 0.434 1.00 0.81 H new ATOM 0 HD12 ILE A 119 8.092 1.287 1.041 1.00 0.81 H new ATOM 0 HD13 ILE A 119 7.557 -0.206 0.233 1.00 0.81 H new ATOM 1595 N LYS A 120 9.434 -1.459 5.659 1.00 0.52 N ATOM 1596 CA LYS A 120 10.517 -2.193 6.303 1.00 0.57 C ATOM 1597 C LYS A 120 9.977 -3.151 7.367 1.00 0.56 C ATOM 1598 O LYS A 120 10.416 -4.300 7.460 1.00 0.61 O ATOM 1599 CB LYS A 120 11.516 -1.216 6.929 1.00 0.66 C ATOM 1600 CG LYS A 120 12.795 -1.873 7.433 1.00 1.08 C ATOM 1601 CD LYS A 120 13.831 -0.844 7.880 1.00 1.68 C ATOM 1602 CE LYS A 120 13.610 -0.364 9.311 1.00 2.25 C ATOM 1603 NZ LYS A 120 12.306 0.330 9.497 1.00 2.76 N ATOM 0 H LYS A 120 9.498 -0.446 5.755 1.00 0.52 H new ATOM 0 HA LYS A 120 11.026 -2.785 5.542 1.00 0.57 H new ATOM 0 HB2 LYS A 120 11.776 -0.457 6.191 1.00 0.66 H new ATOM 0 HB3 LYS A 120 11.033 -0.701 7.759 1.00 0.66 H new ATOM 0 HG2 LYS A 120 12.558 -2.534 8.267 1.00 1.08 H new ATOM 0 HG3 LYS A 120 13.219 -2.494 6.644 1.00 1.08 H new ATOM 0 HD2 LYS A 120 14.827 -1.279 7.798 1.00 1.68 H new ATOM 0 HD3 LYS A 120 13.800 0.012 7.206 1.00 1.68 H new ATOM 0 HE2 LYS A 120 13.660 -1.218 9.987 1.00 2.25 H new ATOM 0 HE3 LYS A 120 14.418 0.312 9.591 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 12.339 0.904 10.364 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 12.121 0.947 8.680 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 11.546 -0.375 9.577 1.00 2.76 H new ATOM 1617 N GLU A 121 9.006 -2.686 8.146 1.00 0.56 N ATOM 1618 CA GLU A 121 8.439 -3.494 9.219 1.00 0.63 C ATOM 1619 C GLU A 121 7.421 -4.496 8.688 1.00 0.67 C ATOM 1620 O GLU A 121 7.360 -5.629 9.159 1.00 0.79 O ATOM 1621 CB GLU A 121 7.799 -2.612 10.293 1.00 0.71 C ATOM 1622 CG GLU A 121 8.767 -2.177 11.384 1.00 1.18 C ATOM 1623 CD GLU A 121 9.893 -1.302 10.874 1.00 1.87 C ATOM 1624 OE1 GLU A 121 9.818 -0.075 11.056 1.00 2.50 O ATOM 1625 OE2 GLU A 121 10.868 -1.835 10.305 1.00 2.57 O ATOM 0 H GLU A 121 8.596 -1.756 8.055 1.00 0.56 H new ATOM 0 HA GLU A 121 9.260 -4.051 9.669 1.00 0.63 H new ATOM 0 HB2 GLU A 121 7.378 -1.726 9.819 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.971 -3.154 10.749 1.00 0.71 H new ATOM 0 HG2 GLU A 121 8.216 -1.636 12.154 1.00 1.18 H new ATOM 0 HG3 GLU A 121 9.191 -3.062 11.858 1.00 1.18 H new ATOM 1632 N PHE A 122 6.631 -4.084 7.704 1.00 0.65 N ATOM 1633 CA PHE A 122 5.629 -4.972 7.119 1.00 0.76 C ATOM 1634 C PHE A 122 6.281 -6.093 6.315 1.00 0.78 C ATOM 1635 O PHE A 122 5.668 -7.134 6.081 1.00 0.89 O ATOM 1636 CB PHE A 122 4.640 -4.191 6.250 1.00 0.86 C ATOM 1637 CG PHE A 122 3.585 -3.470 7.046 1.00 1.36 C ATOM 1638 CD1 PHE A 122 3.732 -2.133 7.378 1.00 2.24 C ATOM 1639 CD2 PHE A 122 2.443 -4.136 7.465 1.00 1.98 C ATOM 1640 CE1 PHE A 122 2.762 -1.474 8.110 1.00 2.95 C ATOM 1641 CE2 PHE A 122 1.471 -3.482 8.198 1.00 2.74 C ATOM 1642 CZ PHE A 122 1.631 -2.149 8.521 1.00 3.02 C ATOM 0 H PHE A 122 6.662 -3.150 7.296 1.00 0.65 H new ATOM 0 HA PHE A 122 5.076 -5.426 7.941 1.00 0.76 H new ATOM 0 HB2 PHE A 122 5.189 -3.467 5.649 1.00 0.86 H new ATOM 0 HB3 PHE A 122 4.155 -4.878 5.557 1.00 0.86 H new ATOM 0 HD1 PHE A 122 4.616 -1.599 7.061 1.00 2.24 H new ATOM 0 HD2 PHE A 122 2.312 -5.179 7.215 1.00 1.98 H new ATOM 0 HE1 PHE A 122 2.889 -0.431 8.360 1.00 2.95 H new ATOM 0 HE2 PHE A 122 0.587 -4.013 8.518 1.00 2.74 H new ATOM 0 HZ PHE A 122 0.873 -1.636 9.094 1.00 3.02 H new ATOM 1652 N SER A 123 7.521 -5.878 5.892 1.00 0.72 N ATOM 1653 CA SER A 123 8.292 -6.926 5.238 1.00 0.79 C ATOM 1654 C SER A 123 8.910 -7.847 6.286 1.00 0.81 C ATOM 1655 O SER A 123 9.006 -9.059 6.086 1.00 1.02 O ATOM 1656 CB SER A 123 9.385 -6.320 4.359 1.00 0.82 C ATOM 1657 OG SER A 123 8.839 -5.401 3.430 1.00 1.40 O ATOM 0 H SER A 123 8.012 -4.990 5.990 1.00 0.72 H new ATOM 0 HA SER A 123 7.623 -7.507 4.603 1.00 0.79 H new ATOM 0 HB2 SER A 123 10.122 -5.816 4.985 1.00 0.82 H new ATOM 0 HB3 SER A 123 9.909 -7.113 3.826 1.00 0.82 H new ATOM 0 HG SER A 123 8.557 -4.589 3.901 1.00 1.40 H new ATOM 1663 N GLU A 124 9.315 -7.258 7.408 1.00 0.80 N ATOM 1664 CA GLU A 124 9.881 -8.013 8.520 1.00 1.00 C ATOM 1665 C GLU A 124 8.814 -8.917 9.128 1.00 1.48 C ATOM 1666 O GLU A 124 9.067 -10.077 9.455 1.00 2.09 O ATOM 1667 CB GLU A 124 10.415 -7.045 9.581 1.00 1.88 C ATOM 1668 CG GLU A 124 11.205 -7.713 10.693 1.00 2.61 C ATOM 1669 CD GLU A 124 12.516 -8.288 10.201 1.00 3.54 C ATOM 1670 OE1 GLU A 124 12.625 -9.524 10.086 1.00 4.12 O ATOM 1671 OE2 GLU A 124 13.445 -7.500 9.916 1.00 4.14 O ATOM 0 H GLU A 124 9.261 -6.253 7.571 1.00 0.80 H new ATOM 0 HA GLU A 124 10.702 -8.631 8.155 1.00 1.00 H new ATOM 0 HB2 GLU A 124 11.050 -6.304 9.094 1.00 1.88 H new ATOM 0 HB3 GLU A 124 9.576 -6.506 10.020 1.00 1.88 H new ATOM 0 HG2 GLU A 124 11.402 -6.987 11.482 1.00 2.61 H new ATOM 0 HG3 GLU A 124 10.605 -8.509 11.135 1.00 2.61 H new ATOM 1678 N GLU A 125 7.620 -8.364 9.267 1.00 2.33 N ATOM 1679 CA GLU A 125 6.482 -9.088 9.797 1.00 3.47 C ATOM 1680 C GLU A 125 5.260 -8.808 8.933 1.00 4.34 C ATOM 1681 O GLU A 125 4.589 -7.781 9.164 1.00 4.92 O ATOM 1682 CB GLU A 125 6.214 -8.664 11.242 1.00 4.25 C ATOM 1683 CG GLU A 125 5.042 -9.383 11.890 1.00 4.82 C ATOM 1684 CD GLU A 125 4.647 -8.756 13.206 1.00 5.68 C ATOM 1685 OE1 GLU A 125 5.028 -9.293 14.267 1.00 6.29 O ATOM 1686 OE2 GLU A 125 3.960 -7.711 13.188 1.00 6.07 O ATOM 1687 OXT GLU A 125 4.984 -9.604 8.010 1.00 4.84 O ATOM 0 H GLU A 125 7.415 -7.397 9.014 1.00 2.33 H new ATOM 0 HA GLU A 125 6.696 -10.157 9.784 1.00 3.47 H new ATOM 0 HB2 GLU A 125 7.111 -8.845 11.835 1.00 4.25 H new ATOM 0 HB3 GLU A 125 6.027 -7.590 11.266 1.00 4.25 H new ATOM 0 HG2 GLU A 125 4.189 -9.369 11.212 1.00 4.82 H new ATOM 0 HG3 GLU A 125 5.303 -10.429 12.051 1.00 4.82 H new TER 1694 GLU A 125