USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 783 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 GLN : amide:sc= 1.02 K(o=2.8,f=1.7) USER MOD Set 1.2: A 109 SER OG : rot -32:sc= 1.83 USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0.0487 USER MOD Set 2.2: A 39 MET CE :methyl -172:sc= -0.0171 (180deg=-0.147) USER MOD Set 2.3: A 43 GLN : amide:sc= -0.117 K(o=-0.085,f=-1.2) USER MOD Single : A 4 THR OG1 : rot -38:sc= 0.772 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 169:sc= 0.13 USER MOD Single : A 24 THR OG1 : rot 97:sc= 0.794 USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.06) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot -150:sc= 0 USER MOD Single : A 34 SER OG : rot 139:sc= 1.62 USER MOD Single : A 37 SER OG : rot 92:sc= 1.26 USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0276) USER MOD Single : A 40 SER OG : rot 70:sc= 1 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0465) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 55 GLN : amide:sc= -0.98 K(o=-0.98,f=-4.7!) USER MOD Single : A 56 SER OG : rot -168:sc= 0.536 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= 1.12 (180deg=0.888) USER MOD Single : A 69 GLN : amide:sc= -2.21! K(o=-2.2!,f=0.71) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0462 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 169:sc= 0 (180deg=-0.12) USER MOD Single : A 92 ASN : amide:sc= 0.15 X(o=0.15,f=-0.09) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.3) USER MOD Single : A 106 MET CE :methyl 150:sc= -0.0502 (180deg=-0.141) USER MOD Single : A 108 HIS : no HD1:sc= -0.235 K(o=-0.23,f=-1) USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 -12.249 4.459 1.131 1.00 0.61 N ATOM 32 CA ILE A 3 -11.322 5.007 0.144 1.00 0.55 C ATOM 33 C ILE A 3 -11.939 4.931 -1.253 1.00 0.73 C ATOM 34 O ILE A 3 -11.632 5.729 -2.139 1.00 0.84 O ATOM 35 CB ILE A 3 -9.965 4.287 0.242 1.00 0.61 C ATOM 36 CG1 ILE A 3 -9.953 2.934 -0.480 1.00 0.89 C ATOM 37 CG2 ILE A 3 -9.549 4.093 1.711 1.00 0.60 C ATOM 38 CD1 ILE A 3 -9.474 3.031 -1.934 1.00 1.29 C ATOM 0 HA ILE A 3 -11.137 6.061 0.350 1.00 0.55 H new ATOM 0 HB ILE A 3 -9.244 4.933 -0.260 1.00 0.61 H new ATOM 0 HG12 ILE A 3 -9.307 2.245 0.064 1.00 0.89 H new ATOM 0 HG13 ILE A 3 -10.957 2.511 -0.462 1.00 0.89 H new ATOM 0 HG21 ILE A 3 -8.587 3.582 1.752 1.00 0.60 H new ATOM 0 HG22 ILE A 3 -9.465 5.065 2.197 1.00 0.60 H new ATOM 0 HG23 ILE A 3 -10.300 3.494 2.226 1.00 0.60 H new ATOM 0 HD11 ILE A 3 -9.489 2.041 -2.389 1.00 1.29 H new ATOM 0 HD12 ILE A 3 -10.134 3.696 -2.491 1.00 1.29 H new ATOM 0 HD13 ILE A 3 -8.458 3.426 -1.957 1.00 1.29 H new ATOM 50 N THR A 4 -12.868 3.993 -1.452 1.00 0.88 N ATOM 51 CA THR A 4 -13.499 3.665 -2.699 1.00 1.13 C ATOM 52 C THR A 4 -14.521 4.743 -3.102 1.00 1.21 C ATOM 53 O THR A 4 -15.313 4.520 -4.014 1.00 1.88 O ATOM 54 CB THR A 4 -14.145 2.285 -2.449 1.00 1.43 C ATOM 55 OG1 THR A 4 -14.744 1.884 -3.631 1.00 1.57 O ATOM 56 CG2 THR A 4 -15.249 2.302 -1.380 1.00 1.90 C ATOM 0 H THR A 4 -13.211 3.414 -0.686 1.00 0.88 H new ATOM 0 HA THR A 4 -12.800 3.627 -3.535 1.00 1.13 H new ATOM 0 HB THR A 4 -13.353 1.620 -2.103 1.00 1.43 H new ATOM 0 HG1 THR A 4 -15.150 2.660 -4.072 1.00 1.57 H new ATOM 0 HG21 THR A 4 -15.655 1.298 -1.260 1.00 1.90 H new ATOM 0 HG22 THR A 4 -14.832 2.640 -0.432 1.00 1.90 H new ATOM 0 HG23 THR A 4 -16.044 2.980 -1.689 1.00 1.90 H new ATOM 64 N ASP A 5 -14.560 5.855 -2.367 1.00 0.91 N ATOM 65 CA ASP A 5 -15.670 6.783 -2.263 1.00 1.19 C ATOM 66 C ASP A 5 -15.114 8.021 -1.547 1.00 1.30 C ATOM 67 O ASP A 5 -15.665 8.514 -0.567 1.00 2.14 O ATOM 68 CB ASP A 5 -16.765 6.060 -1.467 1.00 1.48 C ATOM 69 CG ASP A 5 -17.941 6.937 -1.075 1.00 2.11 C ATOM 70 OD1 ASP A 5 -18.420 7.695 -1.940 1.00 2.09 O ATOM 71 OD2 ASP A 5 -18.371 6.750 0.089 1.00 3.62 O ATOM 0 H ASP A 5 -13.765 6.143 -1.796 1.00 0.91 H new ATOM 0 HA ASP A 5 -16.101 7.099 -3.213 1.00 1.19 H new ATOM 0 HB2 ASP A 5 -17.134 5.222 -2.059 1.00 1.48 H new ATOM 0 HB3 ASP A 5 -16.323 5.641 -0.563 1.00 1.48 H new ATOM 76 N VAL A 6 -13.934 8.461 -1.996 1.00 0.76 N ATOM 77 CA VAL A 6 -13.246 9.625 -1.446 1.00 0.76 C ATOM 78 C VAL A 6 -12.438 10.342 -2.528 1.00 0.69 C ATOM 79 O VAL A 6 -12.561 11.551 -2.695 1.00 0.70 O ATOM 80 CB VAL A 6 -12.425 9.231 -0.193 1.00 0.86 C ATOM 81 CG1 VAL A 6 -10.998 8.732 -0.465 1.00 1.78 C ATOM 82 CG2 VAL A 6 -12.338 10.402 0.789 1.00 1.56 C ATOM 0 H VAL A 6 -13.428 8.012 -2.759 1.00 0.76 H new ATOM 0 HA VAL A 6 -13.980 10.354 -1.102 1.00 0.76 H new ATOM 0 HB VAL A 6 -12.977 8.389 0.225 1.00 0.86 H new ATOM 0 HG11 VAL A 6 -10.513 8.484 0.479 1.00 1.78 H new ATOM 0 HG12 VAL A 6 -11.037 7.845 -1.097 1.00 1.78 H new ATOM 0 HG13 VAL A 6 -10.430 9.513 -0.970 1.00 1.78 H new ATOM 0 HG21 VAL A 6 -11.757 10.103 1.661 1.00 1.56 H new ATOM 0 HG22 VAL A 6 -11.853 11.249 0.303 1.00 1.56 H new ATOM 0 HG23 VAL A 6 -13.342 10.689 1.103 1.00 1.56 H new ATOM 92 N LEU A 7 -11.616 9.584 -3.260 1.00 0.69 N ATOM 93 CA LEU A 7 -10.649 10.074 -4.238 1.00 0.66 C ATOM 94 C LEU A 7 -9.921 8.836 -4.766 1.00 0.60 C ATOM 95 O LEU A 7 -9.953 8.529 -5.957 1.00 0.55 O ATOM 96 CB LEU A 7 -9.692 11.087 -3.567 1.00 0.76 C ATOM 97 CG LEU A 7 -8.379 11.392 -4.318 1.00 0.78 C ATOM 98 CD1 LEU A 7 -8.309 12.852 -4.775 1.00 0.97 C ATOM 99 CD2 LEU A 7 -7.172 11.129 -3.404 1.00 1.19 C ATOM 0 H LEU A 7 -11.609 8.567 -3.181 1.00 0.69 H new ATOM 0 HA LEU A 7 -11.120 10.607 -5.064 1.00 0.66 H new ATOM 0 HB2 LEU A 7 -10.231 12.024 -3.426 1.00 0.76 H new ATOM 0 HB3 LEU A 7 -9.439 10.713 -2.575 1.00 0.76 H new ATOM 0 HG LEU A 7 -8.357 10.740 -5.191 1.00 0.78 H new ATOM 0 HD11 LEU A 7 -7.369 13.024 -5.299 1.00 0.97 H new ATOM 0 HD12 LEU A 7 -9.142 13.064 -5.445 1.00 0.97 H new ATOM 0 HD13 LEU A 7 -8.366 13.508 -3.907 1.00 0.97 H new ATOM 0 HD21 LEU A 7 -6.251 11.348 -3.945 1.00 1.19 H new ATOM 0 HD22 LEU A 7 -7.236 11.768 -2.524 1.00 1.19 H new ATOM 0 HD23 LEU A 7 -7.171 10.084 -3.094 1.00 1.19 H new ATOM 111 N SER A 8 -9.341 8.087 -3.823 1.00 0.65 N ATOM 112 CA SER A 8 -8.462 6.956 -4.047 1.00 0.67 C ATOM 113 C SER A 8 -8.920 5.973 -5.125 1.00 0.61 C ATOM 114 O SER A 8 -8.077 5.388 -5.790 1.00 0.56 O ATOM 115 CB SER A 8 -8.230 6.267 -2.709 1.00 0.82 C ATOM 116 OG SER A 8 -7.900 7.253 -1.749 1.00 0.91 O ATOM 0 H SER A 8 -9.486 8.272 -2.830 1.00 0.65 H new ATOM 0 HA SER A 8 -7.529 7.346 -4.453 1.00 0.67 H new ATOM 0 HB2 SER A 8 -9.124 5.724 -2.402 1.00 0.82 H new ATOM 0 HB3 SER A 8 -7.426 5.536 -2.793 1.00 0.82 H new ATOM 0 HG SER A 8 -7.749 6.826 -0.880 1.00 0.91 H new ATOM 122 N ALA A 9 -10.225 5.764 -5.312 1.00 0.65 N ATOM 123 CA ALA A 9 -10.732 4.916 -6.388 1.00 0.69 C ATOM 124 C ALA A 9 -10.122 5.257 -7.758 1.00 0.67 C ATOM 125 O ALA A 9 -9.742 4.364 -8.515 1.00 0.67 O ATOM 126 CB ALA A 9 -12.258 5.026 -6.445 1.00 0.84 C ATOM 0 H ALA A 9 -10.953 6.174 -4.727 1.00 0.65 H new ATOM 0 HA ALA A 9 -10.435 3.891 -6.164 1.00 0.69 H new ATOM 0 HB1 ALA A 9 -12.639 4.394 -7.247 1.00 0.84 H new ATOM 0 HB2 ALA A 9 -12.682 4.701 -5.495 1.00 0.84 H new ATOM 0 HB3 ALA A 9 -12.541 6.062 -6.633 1.00 0.84 H new ATOM 132 N ASP A 10 -10.018 6.546 -8.086 1.00 0.68 N ATOM 133 CA ASP A 10 -9.451 6.961 -9.367 1.00 0.70 C ATOM 134 C ASP A 10 -7.933 6.732 -9.361 1.00 0.60 C ATOM 135 O ASP A 10 -7.328 6.252 -10.321 1.00 0.57 O ATOM 136 CB ASP A 10 -9.820 8.432 -9.608 1.00 0.86 C ATOM 137 CG ASP A 10 -9.485 8.910 -11.016 1.00 0.92 C ATOM 138 OD1 ASP A 10 -9.401 8.050 -11.918 1.00 2.04 O ATOM 139 OD2 ASP A 10 -9.368 10.143 -11.174 1.00 1.73 O ATOM 0 H ASP A 10 -10.317 7.315 -7.486 1.00 0.68 H new ATOM 0 HA ASP A 10 -9.859 6.368 -10.185 1.00 0.70 H new ATOM 0 HB2 ASP A 10 -10.887 8.567 -9.429 1.00 0.86 H new ATOM 0 HB3 ASP A 10 -9.294 9.055 -8.885 1.00 0.86 H new ATOM 144 N ASP A 11 -7.311 7.017 -8.216 1.00 0.61 N ATOM 145 CA ASP A 11 -5.875 6.900 -8.031 1.00 0.63 C ATOM 146 C ASP A 11 -5.434 5.451 -8.218 1.00 0.54 C ATOM 147 O ASP A 11 -4.422 5.166 -8.865 1.00 0.58 O ATOM 148 CB ASP A 11 -5.504 7.360 -6.624 1.00 0.74 C ATOM 149 CG ASP A 11 -5.645 8.855 -6.408 1.00 1.31 C ATOM 150 OD1 ASP A 11 -4.944 9.610 -7.114 1.00 2.14 O ATOM 151 OD2 ASP A 11 -6.438 9.209 -5.514 1.00 2.51 O ATOM 0 H ASP A 11 -7.803 7.340 -7.383 1.00 0.61 H new ATOM 0 HA ASP A 11 -5.373 7.524 -8.770 1.00 0.63 H new ATOM 0 HB2 ASP A 11 -6.134 6.838 -5.904 1.00 0.74 H new ATOM 0 HB3 ASP A 11 -4.474 7.069 -6.417 1.00 0.74 H new ATOM 156 N ILE A 12 -6.176 4.515 -7.622 1.00 0.51 N ATOM 157 CA ILE A 12 -5.875 3.121 -7.782 1.00 0.51 C ATOM 158 C ILE A 12 -6.019 2.718 -9.244 1.00 0.52 C ATOM 159 O ILE A 12 -5.154 2.008 -9.736 1.00 0.62 O ATOM 160 CB ILE A 12 -6.640 2.230 -6.802 1.00 0.56 C ATOM 161 CG1 ILE A 12 -8.157 2.198 -6.996 1.00 0.58 C ATOM 162 CG2 ILE A 12 -6.228 2.553 -5.361 1.00 0.59 C ATOM 163 CD1 ILE A 12 -8.859 1.174 -6.099 1.00 0.79 C ATOM 0 H ILE A 12 -6.983 4.712 -7.030 1.00 0.51 H new ATOM 0 HA ILE A 12 -4.831 2.960 -7.513 1.00 0.51 H new ATOM 0 HB ILE A 12 -6.345 1.206 -7.031 1.00 0.56 H new ATOM 0 HG12 ILE A 12 -8.564 3.189 -6.793 1.00 0.58 H new ATOM 0 HG13 ILE A 12 -8.379 1.970 -8.039 1.00 0.58 H new ATOM 0 HG21 ILE A 12 -6.779 1.912 -4.673 1.00 0.59 H new ATOM 0 HG22 ILE A 12 -5.159 2.379 -5.241 1.00 0.59 H new ATOM 0 HG23 ILE A 12 -6.453 3.597 -5.144 1.00 0.59 H new ATOM 0 HD11 ILE A 12 -9.933 1.202 -6.286 1.00 0.79 H new ATOM 0 HD12 ILE A 12 -8.478 0.176 -6.319 1.00 0.79 H new ATOM 0 HD13 ILE A 12 -8.666 1.414 -5.053 1.00 0.79 H new ATOM 175 N ALA A 13 -7.044 3.199 -9.958 1.00 0.49 N ATOM 176 CA ALA A 13 -7.167 2.942 -11.391 1.00 0.55 C ATOM 177 C ALA A 13 -5.877 3.322 -12.132 1.00 0.57 C ATOM 178 O ALA A 13 -5.352 2.524 -12.912 1.00 0.69 O ATOM 179 CB ALA A 13 -8.392 3.654 -11.975 1.00 0.58 C ATOM 0 H ALA A 13 -7.796 3.766 -9.565 1.00 0.49 H new ATOM 0 HA ALA A 13 -7.318 1.872 -11.532 1.00 0.55 H new ATOM 0 HB1 ALA A 13 -8.459 3.446 -13.043 1.00 0.58 H new ATOM 0 HB2 ALA A 13 -9.293 3.295 -11.478 1.00 0.58 H new ATOM 0 HB3 ALA A 13 -8.296 4.729 -11.820 1.00 0.58 H new ATOM 185 N ALA A 14 -5.337 4.516 -11.858 1.00 0.51 N ATOM 186 CA ALA A 14 -4.037 4.919 -12.392 1.00 0.59 C ATOM 187 C ALA A 14 -2.960 3.887 -12.055 1.00 0.60 C ATOM 188 O ALA A 14 -2.370 3.304 -12.963 1.00 0.64 O ATOM 189 CB ALA A 14 -3.658 6.321 -11.909 1.00 0.65 C ATOM 0 H ALA A 14 -5.784 5.218 -11.268 1.00 0.51 H new ATOM 0 HA ALA A 14 -4.113 4.961 -13.479 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -2.687 6.597 -12.320 1.00 0.65 H new ATOM 0 HB2 ALA A 14 -4.410 7.036 -12.242 1.00 0.65 H new ATOM 0 HB3 ALA A 14 -3.607 6.329 -10.820 1.00 0.65 H new ATOM 195 N ALA A 15 -2.707 3.645 -10.766 1.00 0.58 N ATOM 196 CA ALA A 15 -1.673 2.720 -10.313 1.00 0.58 C ATOM 197 C ALA A 15 -1.784 1.358 -10.992 1.00 0.62 C ATOM 198 O ALA A 15 -0.798 0.818 -11.499 1.00 0.66 O ATOM 199 CB ALA A 15 -1.781 2.568 -8.797 1.00 0.59 C ATOM 0 H ALA A 15 -3.219 4.090 -10.005 1.00 0.58 H new ATOM 0 HA ALA A 15 -0.700 3.129 -10.584 1.00 0.58 H new ATOM 0 HB1 ALA A 15 -1.013 1.879 -8.445 1.00 0.59 H new ATOM 0 HB2 ALA A 15 -1.641 3.540 -8.323 1.00 0.59 H new ATOM 0 HB3 ALA A 15 -2.765 2.177 -8.540 1.00 0.59 H new ATOM 205 N LEU A 16 -3.007 0.826 -10.990 1.00 0.67 N ATOM 206 CA LEU A 16 -3.368 -0.446 -11.592 1.00 0.72 C ATOM 207 C LEU A 16 -2.823 -0.525 -13.013 1.00 0.71 C ATOM 208 O LEU A 16 -2.205 -1.523 -13.381 1.00 0.81 O ATOM 209 CB LEU A 16 -4.900 -0.651 -11.614 1.00 0.72 C ATOM 210 CG LEU A 16 -5.475 -1.642 -10.585 1.00 2.13 C ATOM 211 CD1 LEU A 16 -4.991 -3.074 -10.843 1.00 2.49 C ATOM 212 CD2 LEU A 16 -5.209 -1.236 -9.133 1.00 4.12 C ATOM 0 H LEU A 16 -3.800 1.293 -10.550 1.00 0.67 H new ATOM 0 HA LEU A 16 -2.928 -1.236 -10.983 1.00 0.72 H new ATOM 0 HB2 LEU A 16 -5.376 0.317 -11.458 1.00 0.72 H new ATOM 0 HB3 LEU A 16 -5.185 -0.990 -12.610 1.00 0.72 H new ATOM 0 HG LEU A 16 -6.555 -1.611 -10.725 1.00 2.13 H new ATOM 0 HD11 LEU A 16 -5.419 -3.743 -10.096 1.00 2.49 H new ATOM 0 HD12 LEU A 16 -5.306 -3.391 -11.837 1.00 2.49 H new ATOM 0 HD13 LEU A 16 -3.903 -3.107 -10.780 1.00 2.49 H new ATOM 0 HD21 LEU A 16 -5.642 -1.979 -8.462 1.00 4.12 H new ATOM 0 HD22 LEU A 16 -4.134 -1.176 -8.963 1.00 4.12 H new ATOM 0 HD23 LEU A 16 -5.662 -0.264 -8.938 1.00 4.12 H new ATOM 224 N GLN A 17 -3.073 0.509 -13.824 1.00 0.63 N ATOM 225 CA GLN A 17 -2.677 0.450 -15.221 1.00 0.63 C ATOM 226 C GLN A 17 -1.184 0.746 -15.340 1.00 0.63 C ATOM 227 O GLN A 17 -0.465 0.023 -16.021 1.00 0.67 O ATOM 228 CB GLN A 17 -3.551 1.369 -16.083 1.00 0.65 C ATOM 229 CG GLN A 17 -3.172 1.225 -17.567 1.00 1.48 C ATOM 230 CD GLN A 17 -4.382 1.105 -18.486 1.00 1.76 C ATOM 231 OE1 GLN A 17 -4.492 0.147 -19.247 1.00 2.89 O ATOM 232 NE2 GLN A 17 -5.298 2.066 -18.432 1.00 2.38 N ATOM 0 H GLN A 17 -3.536 1.372 -13.540 1.00 0.63 H new ATOM 0 HA GLN A 17 -2.840 -0.556 -15.608 1.00 0.63 H new ATOM 0 HB2 GLN A 17 -4.603 1.119 -15.943 1.00 0.65 H new ATOM 0 HB3 GLN A 17 -3.425 2.404 -15.767 1.00 0.65 H new ATOM 0 HG2 GLN A 17 -2.578 2.088 -17.869 1.00 1.48 H new ATOM 0 HG3 GLN A 17 -2.541 0.345 -17.691 1.00 1.48 H new ATOM 0 HE21 GLN A 17 -5.178 2.849 -17.789 1.00 2.38 H new ATOM 0 HE22 GLN A 17 -6.121 2.021 -19.033 1.00 2.38 H new ATOM 241 N GLU A 18 -0.723 1.798 -14.669 1.00 0.66 N ATOM 242 CA GLU A 18 0.669 2.215 -14.647 1.00 0.75 C ATOM 243 C GLU A 18 1.591 1.011 -14.419 1.00 0.74 C ATOM 244 O GLU A 18 2.530 0.791 -15.181 1.00 0.89 O ATOM 245 CB GLU A 18 0.805 3.303 -13.571 1.00 0.85 C ATOM 246 CG GLU A 18 2.218 3.856 -13.354 1.00 1.51 C ATOM 247 CD GLU A 18 2.851 4.466 -14.601 1.00 2.77 C ATOM 248 OE1 GLU A 18 2.092 4.926 -15.476 1.00 4.27 O ATOM 249 OE2 GLU A 18 4.103 4.488 -14.635 1.00 3.32 O ATOM 0 H GLU A 18 -1.329 2.399 -14.110 1.00 0.66 H new ATOM 0 HA GLU A 18 0.977 2.633 -15.605 1.00 0.75 H new ATOM 0 HB2 GLU A 18 0.148 4.132 -13.834 1.00 0.85 H new ATOM 0 HB3 GLU A 18 0.445 2.899 -12.625 1.00 0.85 H new ATOM 0 HG2 GLU A 18 2.183 4.613 -12.571 1.00 1.51 H new ATOM 0 HG3 GLU A 18 2.859 3.052 -12.992 1.00 1.51 H new ATOM 256 N CYS A 19 1.304 0.202 -13.393 1.00 0.69 N ATOM 257 CA CYS A 19 2.120 -0.954 -13.039 1.00 0.82 C ATOM 258 C CYS A 19 1.413 -2.246 -13.449 1.00 0.80 C ATOM 259 O CYS A 19 1.359 -3.199 -12.664 1.00 1.03 O ATOM 260 CB CYS A 19 2.428 -0.920 -11.537 1.00 0.98 C ATOM 261 SG CYS A 19 3.358 0.584 -11.144 1.00 1.60 S ATOM 0 H CYS A 19 0.495 0.335 -12.786 1.00 0.69 H new ATOM 0 HA CYS A 19 3.066 -0.919 -13.579 1.00 0.82 H new ATOM 0 HB2 CYS A 19 1.501 -0.947 -10.964 1.00 0.98 H new ATOM 0 HB3 CYS A 19 3.004 -1.801 -11.253 1.00 0.98 H new ATOM 0 HG CYS A 19 3.417 0.733 -9.854 1.00 1.60 H new ATOM 267 N ARG A 20 0.886 -2.311 -14.683 1.00 0.68 N ATOM 268 CA ARG A 20 0.192 -3.515 -15.133 1.00 0.68 C ATOM 269 C ARG A 20 1.199 -4.654 -15.257 1.00 0.70 C ATOM 270 O ARG A 20 0.949 -5.788 -14.849 1.00 0.83 O ATOM 271 CB ARG A 20 -0.642 -3.308 -16.415 1.00 0.69 C ATOM 272 CG ARG A 20 0.076 -3.198 -17.773 1.00 2.51 C ATOM 273 CD ARG A 20 0.440 -1.765 -18.160 1.00 3.88 C ATOM 274 NE ARG A 20 1.014 -1.728 -19.511 1.00 5.26 N ATOM 275 CZ ARG A 20 0.284 -1.611 -20.635 1.00 5.70 C ATOM 276 NH1 ARG A 20 -1.052 -1.715 -20.571 1.00 5.06 N ATOM 277 NH2 ARG A 20 0.869 -1.392 -21.817 1.00 7.14 N ATOM 0 H ARG A 20 0.928 -1.558 -15.369 1.00 0.68 H new ATOM 0 HA ARG A 20 -0.550 -3.779 -14.380 1.00 0.68 H new ATOM 0 HB2 ARG A 20 -1.347 -4.136 -16.484 1.00 0.69 H new ATOM 0 HB3 ARG A 20 -1.229 -2.399 -16.281 1.00 0.69 H new ATOM 0 HG2 ARG A 20 0.985 -3.799 -17.743 1.00 2.51 H new ATOM 0 HG3 ARG A 20 -0.563 -3.623 -18.547 1.00 2.51 H new ATOM 0 HD2 ARG A 20 -0.448 -1.134 -18.118 1.00 3.88 H new ATOM 0 HD3 ARG A 20 1.154 -1.359 -17.444 1.00 3.88 H new ATOM 0 HE ARG A 20 2.028 -1.795 -19.603 1.00 5.26 H new ATOM 0 HH11 ARG A 20 -1.508 -1.882 -19.674 1.00 5.06 H new ATOM 0 HH12 ARG A 20 -1.612 -1.627 -21.419 1.00 5.06 H new ATOM 0 HH21 ARG A 20 1.884 -1.311 -21.876 1.00 7.14 H new ATOM 0 HH22 ARG A 20 0.300 -1.306 -22.659 1.00 7.14 H new ATOM 291 N ASP A 21 2.349 -4.309 -15.829 1.00 0.78 N ATOM 292 CA ASP A 21 3.415 -5.209 -16.194 1.00 0.90 C ATOM 293 C ASP A 21 4.048 -5.796 -14.919 1.00 0.87 C ATOM 294 O ASP A 21 4.272 -5.054 -13.958 1.00 0.88 O ATOM 295 CB ASP A 21 4.386 -4.388 -17.053 1.00 1.03 C ATOM 296 CG ASP A 21 3.815 -4.108 -18.446 1.00 1.23 C ATOM 297 OD1 ASP A 21 3.867 -5.046 -19.267 1.00 1.77 O ATOM 298 OD2 ASP A 21 3.295 -2.985 -18.666 1.00 2.32 O ATOM 0 H ASP A 21 2.564 -3.339 -16.059 1.00 0.78 H new ATOM 0 HA ASP A 21 3.078 -6.070 -16.771 1.00 0.90 H new ATOM 0 HB2 ASP A 21 4.605 -3.444 -16.553 1.00 1.03 H new ATOM 0 HB3 ASP A 21 5.330 -4.925 -17.148 1.00 1.03 H new ATOM 303 N PRO A 22 4.309 -7.112 -14.856 1.00 0.91 N ATOM 304 CA PRO A 22 4.733 -7.775 -13.631 1.00 0.94 C ATOM 305 C PRO A 22 6.089 -7.262 -13.141 1.00 0.92 C ATOM 306 O PRO A 22 6.925 -6.856 -13.944 1.00 1.29 O ATOM 307 CB PRO A 22 4.751 -9.274 -13.947 1.00 1.04 C ATOM 308 CG PRO A 22 4.963 -9.309 -15.460 1.00 1.05 C ATOM 309 CD PRO A 22 4.204 -8.071 -15.943 1.00 0.96 C ATOM 0 HA PRO A 22 4.048 -7.563 -12.810 1.00 0.94 H new ATOM 0 HB2 PRO A 22 5.552 -9.788 -13.416 1.00 1.04 H new ATOM 0 HB3 PRO A 22 3.817 -9.757 -13.660 1.00 1.04 H new ATOM 0 HG2 PRO A 22 6.020 -9.261 -15.721 1.00 1.05 H new ATOM 0 HG3 PRO A 22 4.567 -10.223 -15.902 1.00 1.05 H new ATOM 0 HD2 PRO A 22 4.639 -7.675 -16.861 1.00 0.96 H new ATOM 0 HD3 PRO A 22 3.162 -8.308 -16.160 1.00 0.96 H new ATOM 317 N ASP A 23 6.275 -7.261 -11.816 1.00 0.69 N ATOM 318 CA ASP A 23 7.466 -6.845 -11.085 1.00 0.68 C ATOM 319 C ASP A 23 7.728 -5.323 -11.142 1.00 0.79 C ATOM 320 O ASP A 23 8.683 -4.832 -10.547 1.00 1.27 O ATOM 321 CB ASP A 23 8.673 -7.706 -11.496 1.00 0.85 C ATOM 322 CG ASP A 23 9.750 -7.757 -10.419 1.00 2.36 C ATOM 323 OD1 ASP A 23 9.415 -8.213 -9.301 1.00 3.07 O ATOM 324 OD2 ASP A 23 10.906 -7.413 -10.750 1.00 3.68 O ATOM 0 H ASP A 23 5.539 -7.575 -11.184 1.00 0.69 H new ATOM 0 HA ASP A 23 7.286 -7.029 -10.026 1.00 0.68 H new ATOM 0 HB2 ASP A 23 8.335 -8.719 -11.715 1.00 0.85 H new ATOM 0 HB3 ASP A 23 9.102 -7.308 -12.415 1.00 0.85 H new ATOM 329 N THR A 24 6.875 -4.552 -11.832 1.00 0.61 N ATOM 330 CA THR A 24 7.047 -3.117 -12.052 1.00 0.65 C ATOM 331 C THR A 24 6.685 -2.253 -10.845 1.00 0.62 C ATOM 332 O THR A 24 7.072 -1.086 -10.778 1.00 0.93 O ATOM 333 CB THR A 24 6.250 -2.686 -13.299 1.00 0.74 C ATOM 334 OG1 THR A 24 6.516 -3.566 -14.366 1.00 0.87 O ATOM 335 CG2 THR A 24 6.575 -1.275 -13.797 1.00 0.93 C ATOM 0 H THR A 24 6.027 -4.923 -12.261 1.00 0.61 H new ATOM 0 HA THR A 24 8.112 -2.950 -12.213 1.00 0.65 H new ATOM 0 HB THR A 24 5.206 -2.705 -12.988 1.00 0.74 H new ATOM 0 HG1 THR A 24 5.811 -4.245 -14.413 1.00 0.87 H new ATOM 0 HG21 THR A 24 5.971 -1.051 -14.676 1.00 0.93 H new ATOM 0 HG22 THR A 24 6.354 -0.552 -13.012 1.00 0.93 H new ATOM 0 HG23 THR A 24 7.632 -1.216 -14.058 1.00 0.93 H new ATOM 343 N PHE A 25 5.882 -2.772 -9.919 1.00 0.48 N ATOM 344 CA PHE A 25 5.240 -1.924 -8.925 1.00 0.59 C ATOM 345 C PHE A 25 6.233 -1.471 -7.840 1.00 0.69 C ATOM 346 O PHE A 25 6.403 -2.134 -6.816 1.00 1.30 O ATOM 347 CB PHE A 25 4.027 -2.671 -8.362 1.00 0.94 C ATOM 348 CG PHE A 25 2.700 -1.950 -8.264 1.00 1.58 C ATOM 349 CD1 PHE A 25 2.629 -0.570 -8.005 1.00 2.52 C ATOM 350 CD2 PHE A 25 1.514 -2.688 -8.446 1.00 3.07 C ATOM 351 CE1 PHE A 25 1.381 0.076 -8.004 1.00 3.13 C ATOM 352 CE2 PHE A 25 0.266 -2.051 -8.390 1.00 3.76 C ATOM 353 CZ PHE A 25 0.199 -0.667 -8.169 1.00 3.25 C ATOM 0 H PHE A 25 5.664 -3.765 -9.838 1.00 0.48 H new ATOM 0 HA PHE A 25 4.890 -1.002 -9.388 1.00 0.59 H new ATOM 0 HB2 PHE A 25 3.874 -3.559 -8.975 1.00 0.94 H new ATOM 0 HB3 PHE A 25 4.289 -3.016 -7.362 1.00 0.94 H new ATOM 0 HD1 PHE A 25 3.530 -0.008 -7.808 1.00 2.52 H new ATOM 0 HD2 PHE A 25 1.566 -3.751 -8.630 1.00 3.07 H new ATOM 0 HE1 PHE A 25 1.330 1.147 -7.876 1.00 3.13 H new ATOM 0 HE2 PHE A 25 -0.641 -2.624 -8.517 1.00 3.76 H new ATOM 0 HZ PHE A 25 -0.760 -0.173 -8.126 1.00 3.25 H new ATOM 363 N GLU A 26 6.881 -0.321 -8.048 1.00 0.44 N ATOM 364 CA GLU A 26 7.771 0.280 -7.068 1.00 0.50 C ATOM 365 C GLU A 26 6.962 0.974 -5.963 1.00 0.47 C ATOM 366 O GLU A 26 5.830 1.408 -6.193 1.00 0.43 O ATOM 367 CB GLU A 26 8.727 1.284 -7.734 1.00 0.62 C ATOM 368 CG GLU A 26 10.133 0.726 -7.969 1.00 0.88 C ATOM 369 CD GLU A 26 11.112 1.881 -8.118 1.00 1.44 C ATOM 370 OE1 GLU A 26 10.988 2.597 -9.133 1.00 1.65 O ATOM 371 OE2 GLU A 26 11.909 2.066 -7.174 1.00 2.75 O ATOM 0 H GLU A 26 6.798 0.218 -8.910 1.00 0.44 H new ATOM 0 HA GLU A 26 8.367 -0.516 -6.622 1.00 0.50 H new ATOM 0 HB2 GLU A 26 8.305 1.597 -8.689 1.00 0.62 H new ATOM 0 HB3 GLU A 26 8.798 2.175 -7.110 1.00 0.62 H new ATOM 0 HG2 GLU A 26 10.428 0.089 -7.135 1.00 0.88 H new ATOM 0 HG3 GLU A 26 10.146 0.105 -8.865 1.00 0.88 H new ATOM 378 N PRO A 27 7.552 1.121 -4.768 1.00 0.53 N ATOM 379 CA PRO A 27 6.875 1.686 -3.618 1.00 0.56 C ATOM 380 C PRO A 27 6.656 3.194 -3.771 1.00 0.49 C ATOM 381 O PRO A 27 5.518 3.632 -3.907 1.00 0.42 O ATOM 382 CB PRO A 27 7.738 1.318 -2.408 1.00 0.71 C ATOM 383 CG PRO A 27 9.130 1.056 -2.986 1.00 0.77 C ATOM 384 CD PRO A 27 8.866 0.611 -4.417 1.00 0.64 C ATOM 0 HA PRO A 27 5.869 1.284 -3.501 1.00 0.56 H new ATOM 0 HB2 PRO A 27 7.759 2.126 -1.677 1.00 0.71 H new ATOM 0 HB3 PRO A 27 7.349 0.437 -1.898 1.00 0.71 H new ATOM 0 HG2 PRO A 27 9.748 1.953 -2.956 1.00 0.77 H new ATOM 0 HG3 PRO A 27 9.657 0.287 -2.421 1.00 0.77 H new ATOM 0 HD2 PRO A 27 9.627 1.002 -5.092 1.00 0.64 H new ATOM 0 HD3 PRO A 27 8.895 -0.476 -4.498 1.00 0.64 H new ATOM 392 N GLN A 28 7.726 4.000 -3.770 1.00 0.57 N ATOM 393 CA GLN A 28 7.617 5.452 -3.921 1.00 0.55 C ATOM 394 C GLN A 28 6.814 5.802 -5.180 1.00 0.47 C ATOM 395 O GLN A 28 5.909 6.635 -5.134 1.00 0.48 O ATOM 396 CB GLN A 28 9.010 6.097 -3.922 1.00 0.66 C ATOM 397 CG GLN A 28 9.654 6.043 -2.529 1.00 0.87 C ATOM 398 CD GLN A 28 11.099 6.533 -2.562 1.00 1.11 C ATOM 399 OE1 GLN A 28 11.983 5.809 -3.007 1.00 2.04 O ATOM 400 NE2 GLN A 28 11.373 7.748 -2.097 1.00 1.63 N ATOM 0 H GLN A 28 8.684 3.665 -3.665 1.00 0.57 H new ATOM 0 HA GLN A 28 7.073 5.860 -3.069 1.00 0.55 H new ATOM 0 HB2 GLN A 28 9.650 5.584 -4.640 1.00 0.66 H new ATOM 0 HB3 GLN A 28 8.932 7.134 -4.248 1.00 0.66 H new ATOM 0 HG2 GLN A 28 9.077 6.655 -1.836 1.00 0.87 H new ATOM 0 HG3 GLN A 28 9.624 5.021 -2.152 1.00 0.87 H new ATOM 0 HE21 GLN A 28 10.623 8.335 -1.731 1.00 1.63 H new ATOM 0 HE22 GLN A 28 12.333 8.093 -2.106 1.00 1.63 H new ATOM 409 N LYS A 29 7.116 5.112 -6.285 1.00 0.45 N ATOM 410 CA LYS A 29 6.327 5.131 -7.509 1.00 0.39 C ATOM 411 C LYS A 29 4.833 5.026 -7.174 1.00 0.34 C ATOM 412 O LYS A 29 4.073 5.941 -7.480 1.00 0.36 O ATOM 413 CB LYS A 29 6.793 3.972 -8.404 1.00 0.52 C ATOM 414 CG LYS A 29 6.004 3.784 -9.707 1.00 0.71 C ATOM 415 CD LYS A 29 6.670 4.477 -10.900 1.00 1.18 C ATOM 416 CE LYS A 29 5.739 4.323 -12.111 1.00 1.95 C ATOM 417 NZ LYS A 29 6.356 4.746 -13.381 1.00 2.83 N ATOM 0 H LYS A 29 7.938 4.511 -6.349 1.00 0.45 H new ATOM 0 HA LYS A 29 6.471 6.070 -8.044 1.00 0.39 H new ATOM 0 HB2 LYS A 29 7.842 4.129 -8.655 1.00 0.52 H new ATOM 0 HB3 LYS A 29 6.737 3.047 -7.829 1.00 0.52 H new ATOM 0 HG2 LYS A 29 5.905 2.719 -9.918 1.00 0.71 H new ATOM 0 HG3 LYS A 29 4.996 4.178 -9.578 1.00 0.71 H new ATOM 0 HD2 LYS A 29 6.842 5.531 -10.682 1.00 1.18 H new ATOM 0 HD3 LYS A 29 7.643 4.031 -11.107 1.00 1.18 H new ATOM 0 HE2 LYS A 29 5.433 3.280 -12.194 1.00 1.95 H new ATOM 0 HE3 LYS A 29 4.835 4.908 -11.942 1.00 1.95 H new ATOM 0 HZ1 LYS A 29 5.660 4.665 -14.149 1.00 2.83 H new ATOM 0 HZ2 LYS A 29 6.671 5.734 -13.302 1.00 2.83 H new ATOM 0 HZ3 LYS A 29 7.174 4.138 -13.589 1.00 2.83 H new ATOM 431 N PHE A 30 4.406 3.918 -6.557 1.00 0.42 N ATOM 432 CA PHE A 30 3.018 3.708 -6.168 1.00 0.51 C ATOM 433 C PHE A 30 2.493 4.871 -5.318 1.00 0.57 C ATOM 434 O PHE A 30 1.450 5.447 -5.621 1.00 0.69 O ATOM 435 CB PHE A 30 2.889 2.365 -5.433 1.00 0.69 C ATOM 436 CG PHE A 30 1.559 2.108 -4.748 1.00 1.04 C ATOM 437 CD1 PHE A 30 0.344 2.264 -5.440 1.00 1.92 C ATOM 438 CD2 PHE A 30 1.539 1.729 -3.396 1.00 2.50 C ATOM 439 CE1 PHE A 30 -0.874 1.982 -4.798 1.00 2.02 C ATOM 440 CE2 PHE A 30 0.317 1.565 -2.723 1.00 2.82 C ATOM 441 CZ PHE A 30 -0.892 1.665 -3.431 1.00 1.78 C ATOM 0 H PHE A 30 5.022 3.141 -6.315 1.00 0.42 H new ATOM 0 HA PHE A 30 2.401 3.674 -7.066 1.00 0.51 H new ATOM 0 HB2 PHE A 30 3.068 1.563 -6.149 1.00 0.69 H new ATOM 0 HB3 PHE A 30 3.679 2.306 -4.684 1.00 0.69 H new ATOM 0 HD1 PHE A 30 0.347 2.601 -6.466 1.00 1.92 H new ATOM 0 HD2 PHE A 30 2.468 1.563 -2.871 1.00 2.50 H new ATOM 0 HE1 PHE A 30 -1.797 2.009 -5.357 1.00 2.02 H new ATOM 0 HE2 PHE A 30 0.307 1.362 -1.662 1.00 2.82 H new ATOM 0 HZ PHE A 30 -1.832 1.499 -2.925 1.00 1.78 H new ATOM 451 N PHE A 31 3.211 5.240 -4.261 1.00 0.61 N ATOM 452 CA PHE A 31 2.780 6.285 -3.341 1.00 0.68 C ATOM 453 C PHE A 31 2.554 7.616 -4.066 1.00 0.73 C ATOM 454 O PHE A 31 1.653 8.375 -3.700 1.00 1.05 O ATOM 455 CB PHE A 31 3.803 6.443 -2.210 1.00 0.82 C ATOM 456 CG PHE A 31 4.240 5.164 -1.507 1.00 1.53 C ATOM 457 CD1 PHE A 31 3.382 4.050 -1.395 1.00 3.22 C ATOM 458 CD2 PHE A 31 5.530 5.096 -0.950 1.00 2.72 C ATOM 459 CE1 PHE A 31 3.832 2.871 -0.775 1.00 4.81 C ATOM 460 CE2 PHE A 31 5.990 3.905 -0.368 1.00 4.17 C ATOM 461 CZ PHE A 31 5.147 2.787 -0.288 1.00 5.00 C ATOM 0 H PHE A 31 4.109 4.822 -4.019 1.00 0.61 H new ATOM 0 HA PHE A 31 1.824 5.986 -2.911 1.00 0.68 H new ATOM 0 HB2 PHE A 31 4.690 6.929 -2.617 1.00 0.82 H new ATOM 0 HB3 PHE A 31 3.385 7.117 -1.463 1.00 0.82 H new ATOM 0 HD1 PHE A 31 2.377 4.103 -1.786 1.00 3.22 H new ATOM 0 HD2 PHE A 31 6.170 5.966 -0.970 1.00 2.72 H new ATOM 0 HE1 PHE A 31 3.165 2.028 -0.673 1.00 4.81 H new ATOM 0 HE2 PHE A 31 6.996 3.849 0.020 1.00 4.17 H new ATOM 0 HZ PHE A 31 5.507 1.866 0.146 1.00 5.00 H new ATOM 471 N GLN A 32 3.365 7.898 -5.093 1.00 0.56 N ATOM 472 CA GLN A 32 3.195 9.083 -5.909 1.00 0.78 C ATOM 473 C GLN A 32 1.979 8.883 -6.812 1.00 0.81 C ATOM 474 O GLN A 32 1.044 9.679 -6.764 1.00 0.95 O ATOM 475 CB GLN A 32 4.469 9.367 -6.719 1.00 0.87 C ATOM 476 CG GLN A 32 4.410 10.774 -7.330 1.00 1.69 C ATOM 477 CD GLN A 32 5.324 10.903 -8.543 1.00 2.21 C ATOM 478 OE1 GLN A 32 4.890 10.716 -9.673 1.00 3.61 O ATOM 479 NE2 GLN A 32 6.595 11.230 -8.331 1.00 2.25 N ATOM 0 H GLN A 32 4.149 7.309 -5.372 1.00 0.56 H new ATOM 0 HA GLN A 32 3.023 9.954 -5.276 1.00 0.78 H new ATOM 0 HB2 GLN A 32 5.344 9.279 -6.075 1.00 0.87 H new ATOM 0 HB3 GLN A 32 4.579 8.624 -7.509 1.00 0.87 H new ATOM 0 HG2 GLN A 32 3.385 11.001 -7.622 1.00 1.69 H new ATOM 0 HG3 GLN A 32 4.698 11.509 -6.578 1.00 1.69 H new ATOM 0 HE21 GLN A 32 6.931 11.380 -7.380 1.00 2.25 H new ATOM 0 HE22 GLN A 32 7.234 11.331 -9.120 1.00 2.25 H new ATOM 488 N THR A 33 1.991 7.823 -7.627 1.00 0.73 N ATOM 489 CA THR A 33 1.008 7.559 -8.651 1.00 0.80 C ATOM 490 C THR A 33 -0.396 7.559 -8.060 1.00 1.01 C ATOM 491 O THR A 33 -1.330 8.024 -8.706 1.00 1.28 O ATOM 492 CB THR A 33 1.365 6.250 -9.389 1.00 0.56 C ATOM 493 OG1 THR A 33 1.063 6.417 -10.742 1.00 0.51 O ATOM 494 CG2 THR A 33 0.611 5.005 -8.925 1.00 0.57 C ATOM 0 H THR A 33 2.716 7.108 -7.580 1.00 0.73 H new ATOM 0 HA THR A 33 1.020 8.356 -9.394 1.00 0.80 H new ATOM 0 HB THR A 33 2.421 6.079 -9.179 1.00 0.56 H new ATOM 0 HG1 THR A 33 0.818 5.552 -11.132 1.00 0.51 H new ATOM 0 HG21 THR A 33 0.937 4.144 -9.508 1.00 0.57 H new ATOM 0 HG22 THR A 33 0.816 4.828 -7.869 1.00 0.57 H new ATOM 0 HG23 THR A 33 -0.459 5.154 -9.066 1.00 0.57 H new ATOM 502 N SER A 34 -0.535 7.021 -6.844 1.00 0.95 N ATOM 503 CA SER A 34 -1.818 6.901 -6.191 1.00 1.19 C ATOM 504 C SER A 34 -2.186 8.140 -5.364 1.00 1.26 C ATOM 505 O SER A 34 -3.164 8.097 -4.623 1.00 1.48 O ATOM 506 CB SER A 34 -1.846 5.652 -5.309 1.00 1.17 C ATOM 507 OG SER A 34 -1.783 4.518 -6.139 1.00 2.20 O ATOM 0 H SER A 34 0.245 6.660 -6.295 1.00 0.95 H new ATOM 0 HA SER A 34 -2.566 6.813 -6.979 1.00 1.19 H new ATOM 0 HB2 SER A 34 -1.006 5.660 -4.614 1.00 1.17 H new ATOM 0 HB3 SER A 34 -2.756 5.632 -4.709 1.00 1.17 H new ATOM 0 HG SER A 34 -1.183 3.854 -5.740 1.00 2.20 H new ATOM 513 N GLY A 35 -1.369 9.199 -5.331 1.00 1.17 N ATOM 514 CA GLY A 35 -1.756 10.458 -4.693 1.00 1.23 C ATOM 515 C GLY A 35 -1.673 10.400 -3.164 1.00 1.00 C ATOM 516 O GLY A 35 -1.632 11.432 -2.495 1.00 1.10 O ATOM 0 H GLY A 35 -0.435 9.207 -5.740 1.00 1.17 H new ATOM 0 HA2 GLY A 35 -1.111 11.258 -5.057 1.00 1.23 H new ATOM 0 HA3 GLY A 35 -2.774 10.711 -4.988 1.00 1.23 H new ATOM 520 N LEU A 36 -1.584 9.192 -2.608 1.00 0.87 N ATOM 521 CA LEU A 36 -1.306 8.879 -1.221 1.00 0.72 C ATOM 522 C LEU A 36 -0.151 9.709 -0.655 1.00 0.53 C ATOM 523 O LEU A 36 -0.186 10.097 0.508 1.00 0.49 O ATOM 524 CB LEU A 36 -1.005 7.379 -1.135 1.00 0.84 C ATOM 525 CG LEU A 36 -2.206 6.474 -1.475 1.00 1.23 C ATOM 526 CD1 LEU A 36 -1.765 5.006 -1.429 1.00 1.48 C ATOM 527 CD2 LEU A 36 -3.389 6.677 -0.519 1.00 1.58 C ATOM 0 H LEU A 36 -1.716 8.348 -3.165 1.00 0.87 H new ATOM 0 HA LEU A 36 -2.175 9.132 -0.613 1.00 0.72 H new ATOM 0 HB2 LEU A 36 -0.184 7.145 -1.813 1.00 0.84 H new ATOM 0 HB3 LEU A 36 -0.662 7.146 -0.127 1.00 0.84 H new ATOM 0 HG LEU A 36 -2.544 6.746 -2.475 1.00 1.23 H new ATOM 0 HD11 LEU A 36 -2.612 4.364 -1.669 1.00 1.48 H new ATOM 0 HD12 LEU A 36 -0.969 4.842 -2.155 1.00 1.48 H new ATOM 0 HD13 LEU A 36 -1.400 4.767 -0.430 1.00 1.48 H new ATOM 0 HD21 LEU A 36 -4.206 6.015 -0.805 1.00 1.58 H new ATOM 0 HD22 LEU A 36 -3.077 6.448 0.500 1.00 1.58 H new ATOM 0 HD23 LEU A 36 -3.726 7.712 -0.572 1.00 1.58 H new ATOM 539 N SER A 37 0.865 10.013 -1.465 1.00 0.54 N ATOM 540 CA SER A 37 1.968 10.866 -1.033 1.00 0.66 C ATOM 541 C SER A 37 1.454 12.252 -0.642 1.00 0.84 C ATOM 542 O SER A 37 1.915 12.848 0.330 1.00 1.13 O ATOM 543 CB SER A 37 3.046 10.918 -2.129 1.00 0.86 C ATOM 544 OG SER A 37 3.949 11.992 -1.952 1.00 2.02 O ATOM 0 H SER A 37 0.944 9.679 -2.425 1.00 0.54 H new ATOM 0 HA SER A 37 2.431 10.444 -0.141 1.00 0.66 H new ATOM 0 HB2 SER A 37 3.600 9.979 -2.134 1.00 0.86 H new ATOM 0 HB3 SER A 37 2.565 11.009 -3.103 1.00 0.86 H new ATOM 0 HG SER A 37 4.718 11.690 -1.425 1.00 2.02 H new ATOM 550 N LYS A 38 0.469 12.758 -1.386 1.00 0.95 N ATOM 551 CA LYS A 38 -0.049 14.096 -1.207 1.00 1.29 C ATOM 552 C LYS A 38 -1.194 14.115 -0.199 1.00 1.04 C ATOM 553 O LYS A 38 -1.396 15.139 0.450 1.00 1.17 O ATOM 554 CB LYS A 38 -0.489 14.681 -2.556 1.00 1.77 C ATOM 555 CG LYS A 38 -0.244 16.195 -2.573 1.00 2.24 C ATOM 556 CD LYS A 38 -0.645 16.800 -3.924 1.00 2.51 C ATOM 557 CE LYS A 38 -0.454 18.324 -3.956 1.00 3.22 C ATOM 558 NZ LYS A 38 0.960 18.725 -3.794 1.00 4.80 N ATOM 0 H LYS A 38 0.011 12.238 -2.134 1.00 0.95 H new ATOM 0 HA LYS A 38 0.749 14.721 -0.805 1.00 1.29 H new ATOM 0 HB2 LYS A 38 0.064 14.205 -3.366 1.00 1.77 H new ATOM 0 HB3 LYS A 38 -1.545 14.473 -2.725 1.00 1.77 H new ATOM 0 HG2 LYS A 38 -0.815 16.669 -1.774 1.00 2.24 H new ATOM 0 HG3 LYS A 38 0.809 16.399 -2.377 1.00 2.24 H new ATOM 0 HD2 LYS A 38 -0.050 16.344 -4.715 1.00 2.51 H new ATOM 0 HD3 LYS A 38 -1.688 16.562 -4.132 1.00 2.51 H new ATOM 0 HE2 LYS A 38 -0.832 18.714 -4.901 1.00 3.22 H new ATOM 0 HE3 LYS A 38 -1.049 18.777 -3.163 1.00 3.22 H new ATOM 0 HZ1 LYS A 38 1.046 19.753 -3.924 1.00 4.80 H new ATOM 0 HZ2 LYS A 38 1.287 18.468 -2.841 1.00 4.80 H new ATOM 0 HZ3 LYS A 38 1.543 18.236 -4.503 1.00 4.80 H new ATOM 572 N MET A 39 -1.950 13.011 -0.117 1.00 0.80 N ATOM 573 CA MET A 39 -3.155 12.858 0.693 1.00 0.78 C ATOM 574 C MET A 39 -3.125 13.680 1.985 1.00 1.26 C ATOM 575 O MET A 39 -3.915 14.607 2.143 1.00 3.33 O ATOM 576 CB MET A 39 -3.381 11.373 1.004 1.00 0.68 C ATOM 577 CG MET A 39 -4.483 10.721 0.167 1.00 0.69 C ATOM 578 SD MET A 39 -6.146 11.362 0.488 1.00 2.06 S ATOM 579 CE MET A 39 -7.118 9.896 0.092 1.00 2.36 C ATOM 0 H MET A 39 -1.723 12.165 -0.639 1.00 0.80 H new ATOM 0 HA MET A 39 -3.987 13.248 0.107 1.00 0.78 H new ATOM 0 HB2 MET A 39 -2.448 10.833 0.842 1.00 0.68 H new ATOM 0 HB3 MET A 39 -3.631 11.268 2.060 1.00 0.68 H new ATOM 0 HG2 MET A 39 -4.251 10.860 -0.889 1.00 0.69 H new ATOM 0 HG3 MET A 39 -4.478 9.647 0.355 1.00 0.69 H new ATOM 0 HE1 MET A 39 -8.178 10.150 0.097 1.00 2.36 H new ATOM 0 HE2 MET A 39 -6.837 9.529 -0.895 1.00 2.36 H new ATOM 0 HE3 MET A 39 -6.927 9.121 0.835 1.00 2.36 H new ATOM 589 N SER A 40 -2.224 13.294 2.894 1.00 0.82 N ATOM 590 CA SER A 40 -1.954 13.803 4.232 1.00 0.59 C ATOM 591 C SER A 40 -1.795 12.589 5.139 1.00 0.55 C ATOM 592 O SER A 40 -2.512 11.598 4.979 1.00 0.62 O ATOM 593 CB SER A 40 -3.036 14.734 4.800 1.00 0.73 C ATOM 594 OG SER A 40 -2.979 16.001 4.180 1.00 1.71 O ATOM 0 H SER A 40 -1.593 12.523 2.677 1.00 0.82 H new ATOM 0 HA SER A 40 -1.057 14.420 4.179 1.00 0.59 H new ATOM 0 HB2 SER A 40 -4.020 14.292 4.646 1.00 0.73 H new ATOM 0 HB3 SER A 40 -2.900 14.844 5.876 1.00 0.73 H new ATOM 0 HG SER A 40 -3.275 15.923 3.249 1.00 1.71 H new ATOM 600 N ALA A 41 -0.884 12.696 6.110 1.00 0.54 N ATOM 601 CA ALA A 41 -0.645 11.690 7.137 1.00 0.54 C ATOM 602 C ALA A 41 -1.956 11.127 7.681 1.00 0.58 C ATOM 603 O ALA A 41 -2.078 9.924 7.881 1.00 0.64 O ATOM 604 CB ALA A 41 0.165 12.317 8.273 1.00 0.55 C ATOM 0 H ALA A 41 -0.277 13.511 6.202 1.00 0.54 H new ATOM 0 HA ALA A 41 -0.089 10.865 6.692 1.00 0.54 H new ATOM 0 HB1 ALA A 41 0.348 11.570 9.045 1.00 0.55 H new ATOM 0 HB2 ALA A 41 1.117 12.678 7.885 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -0.392 13.151 8.700 1.00 0.55 H new ATOM 610 N ASN A 42 -2.937 12.004 7.905 1.00 0.62 N ATOM 611 CA ASN A 42 -4.226 11.643 8.482 1.00 0.66 C ATOM 612 C ASN A 42 -4.916 10.596 7.607 1.00 0.59 C ATOM 613 O ASN A 42 -5.246 9.504 8.066 1.00 0.65 O ATOM 614 CB ASN A 42 -5.122 12.885 8.629 1.00 0.72 C ATOM 615 CG ASN A 42 -4.566 13.938 9.586 1.00 0.95 C ATOM 616 OD1 ASN A 42 -3.522 13.753 10.201 1.00 1.83 O ATOM 617 ND2 ASN A 42 -5.250 15.071 9.701 1.00 1.49 N ATOM 0 H ASN A 42 -2.854 12.997 7.687 1.00 0.62 H new ATOM 0 HA ASN A 42 -4.056 11.222 9.473 1.00 0.66 H new ATOM 0 HB2 ASN A 42 -5.263 13.338 7.648 1.00 0.72 H new ATOM 0 HB3 ASN A 42 -6.106 12.572 8.980 1.00 0.72 H new ATOM 0 HD21 ASN A 42 -4.909 15.813 10.312 1.00 1.49 H new ATOM 0 HD22 ASN A 42 -6.116 15.199 9.178 1.00 1.49 H new ATOM 624 N GLN A 43 -5.128 10.945 6.335 1.00 0.50 N ATOM 625 CA GLN A 43 -5.802 10.081 5.382 1.00 0.47 C ATOM 626 C GLN A 43 -4.990 8.805 5.196 1.00 0.48 C ATOM 627 O GLN A 43 -5.510 7.712 5.393 1.00 0.42 O ATOM 628 CB GLN A 43 -6.034 10.822 4.052 1.00 0.44 C ATOM 629 CG GLN A 43 -7.519 11.171 3.867 1.00 0.71 C ATOM 630 CD GLN A 43 -8.384 9.932 3.634 1.00 1.36 C ATOM 631 OE1 GLN A 43 -7.897 8.898 3.190 1.00 2.98 O ATOM 632 NE2 GLN A 43 -9.676 10.018 3.933 1.00 1.31 N ATOM 0 H GLN A 43 -4.833 11.839 5.943 1.00 0.50 H new ATOM 0 HA GLN A 43 -6.784 9.804 5.764 1.00 0.47 H new ATOM 0 HB2 GLN A 43 -5.437 11.734 4.031 1.00 0.44 H new ATOM 0 HB3 GLN A 43 -5.697 10.201 3.222 1.00 0.44 H new ATOM 0 HG2 GLN A 43 -7.878 11.701 4.750 1.00 0.71 H new ATOM 0 HG3 GLN A 43 -7.627 11.851 3.022 1.00 0.71 H new ATOM 0 HE21 GLN A 43 -10.057 10.889 4.301 1.00 1.31 H new ATOM 0 HE22 GLN A 43 -10.286 9.213 3.794 1.00 1.31 H new ATOM 641 N VAL A 44 -3.704 8.933 4.861 1.00 0.65 N ATOM 642 CA VAL A 44 -2.820 7.788 4.704 1.00 0.69 C ATOM 643 C VAL A 44 -2.915 6.839 5.918 1.00 0.73 C ATOM 644 O VAL A 44 -3.047 5.624 5.779 1.00 0.76 O ATOM 645 CB VAL A 44 -1.406 8.353 4.481 1.00 0.74 C ATOM 646 CG1 VAL A 44 -0.332 7.274 4.498 1.00 0.75 C ATOM 647 CG2 VAL A 44 -1.322 9.087 3.140 1.00 0.79 C ATOM 0 H VAL A 44 -3.253 9.832 4.693 1.00 0.65 H new ATOM 0 HA VAL A 44 -3.105 7.173 3.850 1.00 0.69 H new ATOM 0 HB VAL A 44 -1.224 9.039 5.308 1.00 0.74 H new ATOM 0 HG11 VAL A 44 0.645 7.730 4.336 1.00 0.75 H new ATOM 0 HG12 VAL A 44 -0.340 6.768 5.463 1.00 0.75 H new ATOM 0 HG13 VAL A 44 -0.530 6.551 3.707 1.00 0.75 H new ATOM 0 HG21 VAL A 44 -0.314 9.479 3.002 1.00 0.79 H new ATOM 0 HG22 VAL A 44 -1.556 8.395 2.331 1.00 0.79 H new ATOM 0 HG23 VAL A 44 -2.036 9.911 3.131 1.00 0.79 H new ATOM 657 N LYS A 45 -2.879 7.382 7.132 1.00 0.77 N ATOM 658 CA LYS A 45 -3.005 6.587 8.340 1.00 0.88 C ATOM 659 C LYS A 45 -4.372 5.901 8.418 1.00 0.84 C ATOM 660 O LYS A 45 -4.433 4.710 8.728 1.00 0.97 O ATOM 661 CB LYS A 45 -2.700 7.481 9.543 1.00 0.99 C ATOM 662 CG LYS A 45 -2.708 6.742 10.885 1.00 0.96 C ATOM 663 CD LYS A 45 -4.059 6.852 11.612 1.00 2.12 C ATOM 664 CE LYS A 45 -3.885 6.842 13.139 1.00 2.19 C ATOM 665 NZ LYS A 45 -3.101 5.685 13.620 1.00 3.36 N ATOM 0 H LYS A 45 -2.762 8.381 7.301 1.00 0.77 H new ATOM 0 HA LYS A 45 -2.282 5.771 8.334 1.00 0.88 H new ATOM 0 HB2 LYS A 45 -1.724 7.944 9.401 1.00 0.99 H new ATOM 0 HB3 LYS A 45 -3.433 8.287 9.579 1.00 0.99 H new ATOM 0 HG2 LYS A 45 -2.474 5.691 10.718 1.00 0.96 H new ATOM 0 HG3 LYS A 45 -1.922 7.146 11.523 1.00 0.96 H new ATOM 0 HD2 LYS A 45 -4.562 7.771 11.309 1.00 2.12 H new ATOM 0 HD3 LYS A 45 -4.701 6.024 11.313 1.00 2.12 H new ATOM 0 HE2 LYS A 45 -3.392 7.763 13.450 1.00 2.19 H new ATOM 0 HE3 LYS A 45 -4.867 6.831 13.612 1.00 2.19 H new ATOM 0 HZ1 LYS A 45 -3.158 5.634 14.657 1.00 3.36 H new ATOM 0 HZ2 LYS A 45 -3.485 4.810 13.209 1.00 3.36 H new ATOM 0 HZ3 LYS A 45 -2.108 5.795 13.332 1.00 3.36 H new ATOM 679 N ASP A 46 -5.460 6.629 8.149 1.00 0.70 N ATOM 680 CA ASP A 46 -6.794 6.040 8.114 1.00 0.71 C ATOM 681 C ASP A 46 -6.848 4.869 7.128 1.00 0.65 C ATOM 682 O ASP A 46 -7.232 3.757 7.502 1.00 0.71 O ATOM 683 CB ASP A 46 -7.850 7.092 7.769 1.00 0.69 C ATOM 684 CG ASP A 46 -9.223 6.439 7.713 1.00 1.80 C ATOM 685 OD1 ASP A 46 -9.667 5.982 8.787 1.00 2.71 O ATOM 686 OD2 ASP A 46 -9.784 6.384 6.598 1.00 2.99 O ATOM 0 H ASP A 46 -5.438 7.630 7.952 1.00 0.70 H new ATOM 0 HA ASP A 46 -7.017 5.655 9.109 1.00 0.71 H new ATOM 0 HB2 ASP A 46 -7.844 7.886 8.516 1.00 0.69 H new ATOM 0 HB3 ASP A 46 -7.617 7.555 6.810 1.00 0.69 H new ATOM 691 N VAL A 47 -6.407 5.087 5.884 1.00 0.58 N ATOM 692 CA VAL A 47 -6.382 4.007 4.909 1.00 0.57 C ATOM 693 C VAL A 47 -5.561 2.834 5.452 1.00 0.64 C ATOM 694 O VAL A 47 -6.013 1.693 5.368 1.00 0.68 O ATOM 695 CB VAL A 47 -6.010 4.448 3.475 1.00 0.55 C ATOM 696 CG1 VAL A 47 -6.764 5.709 3.034 1.00 0.49 C ATOM 697 CG2 VAL A 47 -4.524 4.579 3.157 1.00 0.76 C ATOM 0 H VAL A 47 -6.070 5.986 5.539 1.00 0.58 H new ATOM 0 HA VAL A 47 -7.405 3.655 4.778 1.00 0.57 H new ATOM 0 HB VAL A 47 -6.342 3.595 2.883 1.00 0.55 H new ATOM 0 HG11 VAL A 47 -6.466 5.975 2.020 1.00 0.49 H new ATOM 0 HG12 VAL A 47 -7.837 5.519 3.059 1.00 0.49 H new ATOM 0 HG13 VAL A 47 -6.526 6.530 3.710 1.00 0.49 H new ATOM 0 HG21 VAL A 47 -4.400 4.894 2.121 1.00 0.76 H new ATOM 0 HG22 VAL A 47 -4.074 5.320 3.818 1.00 0.76 H new ATOM 0 HG23 VAL A 47 -4.034 3.617 3.305 1.00 0.76 H new ATOM 707 N PHE A 48 -4.401 3.085 6.078 1.00 0.66 N ATOM 708 CA PHE A 48 -3.642 1.990 6.668 1.00 0.81 C ATOM 709 C PHE A 48 -4.430 1.254 7.751 1.00 0.73 C ATOM 710 O PHE A 48 -4.366 0.028 7.801 1.00 0.73 O ATOM 711 CB PHE A 48 -2.261 2.437 7.161 1.00 1.19 C ATOM 712 CG PHE A 48 -1.277 2.792 6.059 1.00 2.76 C ATOM 713 CD1 PHE A 48 -1.068 1.909 4.980 1.00 4.15 C ATOM 714 CD2 PHE A 48 -0.484 3.950 6.167 1.00 3.82 C ATOM 715 CE1 PHE A 48 -0.165 2.242 3.959 1.00 5.92 C ATOM 716 CE2 PHE A 48 0.453 4.256 5.166 1.00 5.73 C ATOM 717 CZ PHE A 48 0.590 3.417 4.051 1.00 6.60 C ATOM 0 H PHE A 48 -3.984 4.010 6.184 1.00 0.66 H new ATOM 0 HA PHE A 48 -3.468 1.271 5.867 1.00 0.81 H new ATOM 0 HB2 PHE A 48 -2.385 3.303 7.811 1.00 1.19 H new ATOM 0 HB3 PHE A 48 -1.832 1.641 7.769 1.00 1.19 H new ATOM 0 HD1 PHE A 48 -1.605 0.973 4.939 1.00 4.15 H new ATOM 0 HD2 PHE A 48 -0.596 4.603 7.020 1.00 3.82 H new ATOM 0 HE1 PHE A 48 -0.053 1.593 3.103 1.00 5.92 H new ATOM 0 HE2 PHE A 48 1.069 5.139 5.255 1.00 5.73 H new ATOM 0 HZ PHE A 48 1.279 3.678 3.262 1.00 6.60 H new ATOM 727 N ARG A 49 -5.197 1.956 8.594 1.00 0.75 N ATOM 728 CA ARG A 49 -6.090 1.256 9.514 1.00 0.76 C ATOM 729 C ARG A 49 -7.077 0.374 8.751 1.00 0.66 C ATOM 730 O ARG A 49 -7.318 -0.756 9.164 1.00 0.77 O ATOM 731 CB ARG A 49 -6.860 2.198 10.445 1.00 0.86 C ATOM 732 CG ARG A 49 -5.939 3.008 11.362 1.00 1.15 C ATOM 733 CD ARG A 49 -6.695 3.414 12.634 1.00 1.41 C ATOM 734 NE ARG A 49 -6.852 2.272 13.555 1.00 2.24 N ATOM 735 CZ ARG A 49 -7.395 2.346 14.782 1.00 2.60 C ATOM 736 NH1 ARG A 49 -7.938 3.495 15.198 1.00 2.47 N ATOM 737 NH2 ARG A 49 -7.390 1.286 15.593 1.00 3.67 N ATOM 0 H ARG A 49 -5.217 2.974 8.656 1.00 0.75 H new ATOM 0 HA ARG A 49 -5.446 0.637 10.139 1.00 0.76 H new ATOM 0 HB2 ARG A 49 -7.462 2.882 9.846 1.00 0.86 H new ATOM 0 HB3 ARG A 49 -7.551 1.615 11.054 1.00 0.86 H new ATOM 0 HG2 ARG A 49 -5.061 2.418 11.623 1.00 1.15 H new ATOM 0 HG3 ARG A 49 -5.582 3.897 10.841 1.00 1.15 H new ATOM 0 HD2 ARG A 49 -6.158 4.218 13.137 1.00 1.41 H new ATOM 0 HD3 ARG A 49 -7.677 3.805 12.366 1.00 1.41 H new ATOM 0 HE ARG A 49 -6.524 1.360 13.237 1.00 2.24 H new ATOM 0 HH11 ARG A 49 -7.939 4.310 14.585 1.00 2.47 H new ATOM 0 HH12 ARG A 49 -8.351 3.556 16.128 1.00 2.47 H new ATOM 0 HH21 ARG A 49 -6.971 0.409 15.283 1.00 3.67 H new ATOM 0 HH22 ARG A 49 -7.805 1.353 16.522 1.00 3.67 H new ATOM 751 N PHE A 50 -7.654 0.875 7.651 1.00 0.50 N ATOM 752 CA PHE A 50 -8.564 0.065 6.852 1.00 0.48 C ATOM 753 C PHE A 50 -7.849 -1.197 6.348 1.00 0.47 C ATOM 754 O PHE A 50 -8.398 -2.294 6.436 1.00 0.61 O ATOM 755 CB PHE A 50 -9.183 0.900 5.719 1.00 0.52 C ATOM 756 CG PHE A 50 -10.411 0.274 5.078 1.00 1.41 C ATOM 757 CD1 PHE A 50 -11.606 0.160 5.814 1.00 2.32 C ATOM 758 CD2 PHE A 50 -10.366 -0.196 3.752 1.00 3.09 C ATOM 759 CE1 PHE A 50 -12.741 -0.437 5.235 1.00 3.16 C ATOM 760 CE2 PHE A 50 -11.511 -0.762 3.162 1.00 4.01 C ATOM 761 CZ PHE A 50 -12.698 -0.883 3.904 1.00 3.62 C ATOM 0 H PHE A 50 -7.506 1.822 7.303 1.00 0.50 H new ATOM 0 HA PHE A 50 -9.393 -0.269 7.475 1.00 0.48 H new ATOM 0 HB2 PHE A 50 -9.453 1.880 6.112 1.00 0.52 H new ATOM 0 HB3 PHE A 50 -8.429 1.062 4.949 1.00 0.52 H new ATOM 0 HD1 PHE A 50 -11.652 0.532 6.827 1.00 2.32 H new ATOM 0 HD2 PHE A 50 -9.449 -0.122 3.186 1.00 3.09 H new ATOM 0 HE1 PHE A 50 -13.645 -0.552 5.814 1.00 3.16 H new ATOM 0 HE2 PHE A 50 -11.478 -1.104 2.138 1.00 4.01 H new ATOM 0 HZ PHE A 50 -13.576 -1.319 3.451 1.00 3.62 H new ATOM 771 N ILE A 51 -6.613 -1.061 5.848 1.00 0.55 N ATOM 772 CA ILE A 51 -5.801 -2.211 5.452 1.00 0.67 C ATOM 773 C ILE A 51 -5.567 -3.182 6.620 1.00 0.59 C ATOM 774 O ILE A 51 -5.718 -4.386 6.412 1.00 1.20 O ATOM 775 CB ILE A 51 -4.476 -1.782 4.783 1.00 0.96 C ATOM 776 CG1 ILE A 51 -4.642 -1.407 3.298 1.00 1.61 C ATOM 777 CG2 ILE A 51 -3.449 -2.915 4.791 1.00 1.24 C ATOM 778 CD1 ILE A 51 -4.999 0.054 3.082 1.00 1.38 C ATOM 0 H ILE A 51 -6.156 -0.160 5.709 1.00 0.55 H new ATOM 0 HA ILE A 51 -6.373 -2.755 4.700 1.00 0.67 H new ATOM 0 HB ILE A 51 -4.150 -0.921 5.367 1.00 0.96 H new ATOM 0 HG12 ILE A 51 -3.715 -1.629 2.769 1.00 1.61 H new ATOM 0 HG13 ILE A 51 -5.419 -2.032 2.857 1.00 1.61 H new ATOM 0 HG21 ILE A 51 -2.530 -2.577 4.312 1.00 1.24 H new ATOM 0 HG22 ILE A 51 -3.236 -3.206 5.820 1.00 1.24 H new ATOM 0 HG23 ILE A 51 -3.848 -3.771 4.247 1.00 1.24 H new ATOM 0 HD11 ILE A 51 -5.101 0.250 2.015 1.00 1.38 H new ATOM 0 HD12 ILE A 51 -5.941 0.276 3.583 1.00 1.38 H new ATOM 0 HD13 ILE A 51 -4.212 0.686 3.493 1.00 1.38 H new ATOM 790 N ASP A 52 -5.140 -2.693 7.796 1.00 0.70 N ATOM 791 CA ASP A 52 -4.784 -3.521 8.956 1.00 0.69 C ATOM 792 C ASP A 52 -6.051 -4.156 9.542 1.00 0.92 C ATOM 793 O ASP A 52 -6.529 -3.780 10.607 1.00 1.79 O ATOM 794 CB ASP A 52 -4.004 -2.688 9.998 1.00 0.74 C ATOM 795 CG ASP A 52 -3.311 -3.519 11.085 1.00 0.76 C ATOM 796 OD1 ASP A 52 -3.281 -4.763 10.982 1.00 1.10 O ATOM 797 OD2 ASP A 52 -2.745 -2.915 12.023 1.00 1.64 O ATOM 0 H ASP A 52 -5.031 -1.694 7.968 1.00 0.70 H new ATOM 0 HA ASP A 52 -4.123 -4.329 8.643 1.00 0.69 H new ATOM 0 HB2 ASP A 52 -3.253 -2.092 9.480 1.00 0.74 H new ATOM 0 HB3 ASP A 52 -4.692 -1.990 10.475 1.00 0.74 H new ATOM 802 N ASN A 53 -6.623 -5.102 8.800 1.00 0.54 N ATOM 803 CA ASN A 53 -7.959 -5.657 8.970 1.00 0.64 C ATOM 804 C ASN A 53 -8.123 -6.348 10.324 1.00 0.74 C ATOM 805 O ASN A 53 -9.173 -6.254 10.955 1.00 1.55 O ATOM 806 CB ASN A 53 -8.192 -6.630 7.809 1.00 0.87 C ATOM 807 CG ASN A 53 -9.576 -7.265 7.826 1.00 1.08 C ATOM 808 OD1 ASN A 53 -10.556 -6.634 7.447 1.00 1.80 O ATOM 809 ND2 ASN A 53 -9.660 -8.548 8.161 1.00 1.00 N ATOM 0 H ASN A 53 -6.131 -5.527 8.014 1.00 0.54 H new ATOM 0 HA ASN A 53 -8.702 -4.860 8.957 1.00 0.64 H new ATOM 0 HB2 ASN A 53 -8.054 -6.100 6.866 1.00 0.87 H new ATOM 0 HB3 ASN A 53 -7.438 -7.416 7.846 1.00 0.87 H new ATOM 0 HD21 ASN A 53 -10.556 -9.032 8.106 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -8.828 -9.049 8.473 1.00 1.00 H new ATOM 816 N ASP A 54 -7.072 -7.040 10.761 1.00 0.63 N ATOM 817 CA ASP A 54 -6.941 -7.632 12.086 1.00 0.68 C ATOM 818 C ASP A 54 -6.780 -6.559 13.169 1.00 0.69 C ATOM 819 O ASP A 54 -7.096 -6.804 14.331 1.00 0.94 O ATOM 820 CB ASP A 54 -5.695 -8.519 12.080 1.00 0.94 C ATOM 821 CG ASP A 54 -4.483 -7.681 11.724 1.00 1.18 C ATOM 822 OD1 ASP A 54 -4.391 -7.235 10.565 1.00 2.18 O ATOM 823 OD2 ASP A 54 -3.642 -7.379 12.593 1.00 2.32 O ATOM 0 H ASP A 54 -6.255 -7.209 10.174 1.00 0.63 H new ATOM 0 HA ASP A 54 -7.842 -8.203 12.310 1.00 0.68 H new ATOM 0 HB2 ASP A 54 -5.558 -8.979 13.058 1.00 0.94 H new ATOM 0 HB3 ASP A 54 -5.815 -9.329 11.361 1.00 0.94 H new ATOM 828 N GLN A 55 -6.268 -5.385 12.794 1.00 0.62 N ATOM 829 CA GLN A 55 -6.031 -4.248 13.664 1.00 0.78 C ATOM 830 C GLN A 55 -4.964 -4.521 14.731 1.00 0.87 C ATOM 831 O GLN A 55 -5.028 -3.971 15.830 1.00 1.13 O ATOM 832 CB GLN A 55 -7.363 -3.693 14.215 1.00 0.94 C ATOM 833 CG GLN A 55 -7.826 -2.491 13.387 1.00 1.95 C ATOM 834 CD GLN A 55 -8.982 -1.783 14.069 1.00 2.12 C ATOM 835 OE1 GLN A 55 -8.808 -0.673 14.566 1.00 2.79 O ATOM 836 NE2 GLN A 55 -10.149 -2.416 14.124 1.00 2.33 N ATOM 0 H GLN A 55 -5.997 -5.200 11.828 1.00 0.62 H new ATOM 0 HA GLN A 55 -5.594 -3.450 13.064 1.00 0.78 H new ATOM 0 HB2 GLN A 55 -8.125 -4.472 14.194 1.00 0.94 H new ATOM 0 HB3 GLN A 55 -7.238 -3.398 15.257 1.00 0.94 H new ATOM 0 HG2 GLN A 55 -6.997 -1.796 13.250 1.00 1.95 H new ATOM 0 HG3 GLN A 55 -8.131 -2.823 12.394 1.00 1.95 H new ATOM 0 HE21 GLN A 55 -10.250 -3.337 13.698 1.00 2.33 H new ATOM 0 HE22 GLN A 55 -10.944 -1.981 14.592 1.00 2.33 H new ATOM 845 N SER A 56 -3.921 -5.288 14.396 1.00 0.87 N ATOM 846 CA SER A 56 -2.755 -5.416 15.260 1.00 0.96 C ATOM 847 C SER A 56 -2.097 -4.062 15.554 1.00 1.01 C ATOM 848 O SER A 56 -1.477 -3.900 16.603 1.00 1.33 O ATOM 849 CB SER A 56 -1.739 -6.360 14.612 1.00 1.03 C ATOM 850 OG SER A 56 -1.372 -5.873 13.331 1.00 1.01 O ATOM 0 H SER A 56 -3.866 -5.827 13.532 1.00 0.87 H new ATOM 0 HA SER A 56 -3.093 -5.825 16.212 1.00 0.96 H new ATOM 0 HB2 SER A 56 -0.855 -6.446 15.244 1.00 1.03 H new ATOM 0 HB3 SER A 56 -2.165 -7.359 14.522 1.00 1.03 H new ATOM 0 HG SER A 56 -0.881 -6.568 12.845 1.00 1.01 H new ATOM 856 N GLY A 57 -2.157 -3.121 14.606 1.00 0.94 N ATOM 857 CA GLY A 57 -1.331 -1.923 14.597 1.00 1.15 C ATOM 858 C GLY A 57 -0.025 -2.225 13.867 1.00 1.01 C ATOM 859 O GLY A 57 1.035 -1.745 14.259 1.00 1.41 O ATOM 0 H GLY A 57 -2.795 -3.178 13.812 1.00 0.94 H new ATOM 0 HA2 GLY A 57 -1.858 -1.106 14.104 1.00 1.15 H new ATOM 0 HA3 GLY A 57 -1.126 -1.600 15.617 1.00 1.15 H new ATOM 863 N TYR A 58 -0.111 -3.031 12.803 1.00 1.07 N ATOM 864 CA TYR A 58 1.016 -3.490 12.002 1.00 0.95 C ATOM 865 C TYR A 58 0.490 -4.056 10.698 1.00 0.85 C ATOM 866 O TYR A 58 -0.477 -4.819 10.688 1.00 0.84 O ATOM 867 CB TYR A 58 1.873 -4.547 12.728 1.00 0.99 C ATOM 868 CG TYR A 58 3.006 -4.000 13.575 1.00 1.08 C ATOM 869 CD1 TYR A 58 4.166 -3.513 12.948 1.00 2.41 C ATOM 870 CD2 TYR A 58 2.947 -4.057 14.981 1.00 1.89 C ATOM 871 CE1 TYR A 58 5.242 -3.037 13.715 1.00 2.64 C ATOM 872 CE2 TYR A 58 4.029 -3.593 15.750 1.00 1.90 C ATOM 873 CZ TYR A 58 5.171 -3.071 15.117 1.00 1.53 C ATOM 874 OH TYR A 58 6.224 -2.628 15.858 1.00 1.86 O ATOM 0 H TYR A 58 -1.004 -3.392 12.468 1.00 1.07 H new ATOM 0 HA TYR A 58 1.666 -2.635 11.818 1.00 0.95 H new ATOM 0 HB2 TYR A 58 1.220 -5.142 13.366 1.00 0.99 H new ATOM 0 HB3 TYR A 58 2.293 -5.223 11.983 1.00 0.99 H new ATOM 0 HD1 TYR A 58 4.230 -3.505 11.870 1.00 2.41 H new ATOM 0 HD2 TYR A 58 2.070 -4.457 15.469 1.00 1.89 H new ATOM 0 HE1 TYR A 58 6.123 -2.645 13.227 1.00 2.64 H new ATOM 0 HE2 TYR A 58 3.983 -3.638 16.828 1.00 1.90 H new ATOM 0 HH TYR A 58 6.014 -2.718 16.811 1.00 1.86 H new ATOM 884 N LEU A 59 1.161 -3.685 9.609 1.00 0.79 N ATOM 885 CA LEU A 59 1.007 -4.297 8.311 1.00 0.66 C ATOM 886 C LEU A 59 1.937 -5.496 8.258 1.00 0.58 C ATOM 887 O LEU A 59 3.039 -5.444 7.712 1.00 0.55 O ATOM 888 CB LEU A 59 1.277 -3.257 7.216 1.00 0.66 C ATOM 889 CG LEU A 59 -0.030 -2.902 6.506 1.00 1.10 C ATOM 890 CD1 LEU A 59 -0.593 -4.166 5.830 1.00 2.18 C ATOM 891 CD2 LEU A 59 -1.022 -2.222 7.460 1.00 1.67 C ATOM 0 H LEU A 59 1.844 -2.928 9.616 1.00 0.79 H new ATOM 0 HA LEU A 59 -0.009 -4.652 8.140 1.00 0.66 H new ATOM 0 HB2 LEU A 59 1.719 -2.362 7.653 1.00 0.66 H new ATOM 0 HB3 LEU A 59 1.997 -3.650 6.498 1.00 0.66 H new ATOM 0 HG LEU A 59 0.160 -2.166 5.725 1.00 1.10 H new ATOM 0 HD11 LEU A 59 -1.525 -3.922 5.321 1.00 2.18 H new ATOM 0 HD12 LEU A 59 0.128 -4.543 5.105 1.00 2.18 H new ATOM 0 HD13 LEU A 59 -0.781 -4.929 6.585 1.00 2.18 H new ATOM 0 HD21 LEU A 59 -1.939 -1.984 6.922 1.00 1.67 H new ATOM 0 HD22 LEU A 59 -1.251 -2.894 8.287 1.00 1.67 H new ATOM 0 HD23 LEU A 59 -0.581 -1.304 7.850 1.00 1.67 H new ATOM 903 N ASP A 60 1.486 -6.567 8.900 1.00 0.73 N ATOM 904 CA ASP A 60 2.190 -7.833 8.920 1.00 0.78 C ATOM 905 C ASP A 60 2.148 -8.487 7.526 1.00 0.70 C ATOM 906 O ASP A 60 1.290 -8.181 6.695 1.00 0.62 O ATOM 907 CB ASP A 60 1.617 -8.732 10.027 1.00 0.93 C ATOM 908 CG ASP A 60 1.254 -7.969 11.303 1.00 1.19 C ATOM 909 OD1 ASP A 60 0.146 -7.373 11.336 1.00 1.65 O ATOM 910 OD2 ASP A 60 2.107 -7.958 12.217 1.00 1.57 O ATOM 0 H ASP A 60 0.612 -6.576 9.425 1.00 0.73 H new ATOM 0 HA ASP A 60 3.242 -7.672 9.156 1.00 0.78 H new ATOM 0 HB2 ASP A 60 0.728 -9.238 9.650 1.00 0.93 H new ATOM 0 HB3 ASP A 60 2.345 -9.506 10.270 1.00 0.93 H new ATOM 915 N GLU A 61 3.101 -9.385 7.258 1.00 0.83 N ATOM 916 CA GLU A 61 3.376 -9.925 5.930 1.00 0.83 C ATOM 917 C GLU A 61 2.130 -10.508 5.251 1.00 0.75 C ATOM 918 O GLU A 61 1.837 -10.190 4.100 1.00 0.74 O ATOM 919 CB GLU A 61 4.475 -10.991 6.040 1.00 1.09 C ATOM 920 CG GLU A 61 5.812 -10.400 6.508 1.00 2.02 C ATOM 921 CD GLU A 61 6.828 -11.502 6.770 1.00 3.10 C ATOM 922 OE1 GLU A 61 7.306 -12.080 5.769 1.00 3.13 O ATOM 923 OE2 GLU A 61 7.081 -11.762 7.966 1.00 4.56 O ATOM 0 H GLU A 61 3.716 -9.764 7.979 1.00 0.83 H new ATOM 0 HA GLU A 61 3.709 -9.101 5.300 1.00 0.83 H new ATOM 0 HB2 GLU A 61 4.158 -11.766 6.738 1.00 1.09 H new ATOM 0 HB3 GLU A 61 4.611 -11.471 5.071 1.00 1.09 H new ATOM 0 HG2 GLU A 61 6.197 -9.716 5.751 1.00 2.02 H new ATOM 0 HG3 GLU A 61 5.659 -9.817 7.416 1.00 2.02 H new ATOM 930 N GLU A 62 1.416 -11.391 5.951 1.00 0.82 N ATOM 931 CA GLU A 62 0.286 -12.117 5.380 1.00 0.85 C ATOM 932 C GLU A 62 -0.782 -11.125 4.912 1.00 0.80 C ATOM 933 O GLU A 62 -1.214 -11.165 3.766 1.00 0.88 O ATOM 934 CB GLU A 62 -0.230 -13.144 6.407 1.00 1.06 C ATOM 935 CG GLU A 62 -0.832 -14.415 5.781 1.00 1.42 C ATOM 936 CD GLU A 62 -2.230 -14.245 5.202 1.00 2.81 C ATOM 937 OE1 GLU A 62 -2.876 -13.224 5.510 1.00 4.04 O ATOM 938 OE2 GLU A 62 -2.617 -15.159 4.438 1.00 3.87 O ATOM 0 H GLU A 62 1.606 -11.621 6.926 1.00 0.82 H new ATOM 0 HA GLU A 62 0.589 -12.680 4.497 1.00 0.85 H new ATOM 0 HB2 GLU A 62 0.592 -13.430 7.063 1.00 1.06 H new ATOM 0 HB3 GLU A 62 -0.985 -12.668 7.032 1.00 1.06 H new ATOM 0 HG2 GLU A 62 -0.167 -14.763 4.990 1.00 1.42 H new ATOM 0 HG3 GLU A 62 -0.862 -15.197 6.540 1.00 1.42 H new ATOM 945 N GLU A 63 -1.131 -10.160 5.761 1.00 0.95 N ATOM 946 CA GLU A 63 -2.094 -9.117 5.437 1.00 1.00 C ATOM 947 C GLU A 63 -1.676 -8.349 4.191 1.00 0.83 C ATOM 948 O GLU A 63 -2.524 -7.948 3.395 1.00 0.80 O ATOM 949 CB GLU A 63 -2.169 -8.147 6.604 1.00 1.16 C ATOM 950 CG GLU A 63 -2.608 -8.860 7.884 1.00 1.58 C ATOM 951 CD GLU A 63 -2.065 -8.127 9.080 1.00 1.04 C ATOM 952 OE1 GLU A 63 -1.720 -6.928 8.977 1.00 1.84 O ATOM 953 OE2 GLU A 63 -2.047 -8.683 10.196 1.00 2.04 O ATOM 0 H GLU A 63 -0.747 -10.082 6.703 1.00 0.95 H new ATOM 0 HA GLU A 63 -3.062 -9.583 5.249 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -1.195 -7.683 6.758 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -2.871 -7.346 6.371 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -3.696 -8.903 7.934 1.00 1.58 H new ATOM 0 HG3 GLU A 63 -2.248 -9.889 7.881 1.00 1.58 H new ATOM 960 N LEU A 64 -0.369 -8.137 4.018 1.00 0.77 N ATOM 961 CA LEU A 64 0.166 -7.479 2.837 1.00 0.72 C ATOM 962 C LEU A 64 -0.288 -8.210 1.558 1.00 0.65 C ATOM 963 O LEU A 64 -0.610 -7.571 0.557 1.00 0.93 O ATOM 964 CB LEU A 64 1.694 -7.345 2.967 1.00 0.90 C ATOM 965 CG LEU A 64 2.285 -6.070 2.342 1.00 1.05 C ATOM 966 CD1 LEU A 64 1.826 -4.785 3.047 1.00 2.04 C ATOM 967 CD2 LEU A 64 3.809 -6.127 2.482 1.00 2.34 C ATOM 0 H LEU A 64 0.341 -8.418 4.694 1.00 0.77 H new ATOM 0 HA LEU A 64 -0.232 -6.467 2.756 1.00 0.72 H new ATOM 0 HB2 LEU A 64 1.958 -7.371 4.024 1.00 0.90 H new ATOM 0 HB3 LEU A 64 2.162 -8.212 2.500 1.00 0.90 H new ATOM 0 HG LEU A 64 1.947 -6.038 1.306 1.00 1.05 H new ATOM 0 HD11 LEU A 64 2.277 -3.921 2.559 1.00 2.04 H new ATOM 0 HD12 LEU A 64 0.740 -4.707 2.991 1.00 2.04 H new ATOM 0 HD13 LEU A 64 2.134 -4.813 4.092 1.00 2.04 H new ATOM 0 HD21 LEU A 64 4.248 -5.231 2.044 1.00 2.34 H new ATOM 0 HD22 LEU A 64 4.076 -6.184 3.537 1.00 2.34 H new ATOM 0 HD23 LEU A 64 4.189 -7.007 1.964 1.00 2.34 H new ATOM 979 N LYS A 65 -0.415 -9.541 1.610 1.00 0.65 N ATOM 980 CA LYS A 65 -0.948 -10.375 0.529 1.00 0.70 C ATOM 981 C LYS A 65 -2.416 -10.054 0.198 1.00 0.70 C ATOM 982 O LYS A 65 -2.937 -10.562 -0.790 1.00 0.97 O ATOM 983 CB LYS A 65 -0.841 -11.843 0.958 1.00 0.88 C ATOM 984 CG LYS A 65 -0.962 -12.894 -0.155 1.00 1.09 C ATOM 985 CD LYS A 65 -0.783 -14.309 0.426 1.00 1.35 C ATOM 986 CE LYS A 65 -1.710 -14.548 1.633 1.00 1.75 C ATOM 987 NZ LYS A 65 -1.650 -15.916 2.173 1.00 2.15 N ATOM 0 H LYS A 65 -0.141 -10.082 2.430 1.00 0.65 H new ATOM 0 HA LYS A 65 -0.365 -10.174 -0.370 1.00 0.70 H new ATOM 0 HB2 LYS A 65 0.118 -11.983 1.457 1.00 0.88 H new ATOM 0 HB3 LYS A 65 -1.617 -12.039 1.698 1.00 0.88 H new ATOM 0 HG2 LYS A 65 -1.936 -12.812 -0.638 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -0.209 -12.710 -0.922 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -0.992 -15.049 -0.346 1.00 1.35 H new ATOM 0 HD3 LYS A 65 0.254 -14.450 0.730 1.00 1.35 H new ATOM 0 HE2 LYS A 65 -1.449 -13.845 2.424 1.00 1.75 H new ATOM 0 HE3 LYS A 65 -2.736 -14.329 1.339 1.00 1.75 H new ATOM 0 HZ1 LYS A 65 -1.965 -15.912 3.164 1.00 2.15 H new ATOM 0 HZ2 LYS A 65 -2.270 -16.537 1.615 1.00 2.15 H new ATOM 0 HZ3 LYS A 65 -0.672 -16.267 2.122 1.00 2.15 H new ATOM 1001 N PHE A 66 -3.095 -9.258 1.028 1.00 0.58 N ATOM 1002 CA PHE A 66 -4.455 -8.767 0.828 1.00 0.61 C ATOM 1003 C PHE A 66 -4.492 -7.231 0.907 1.00 0.66 C ATOM 1004 O PHE A 66 -5.563 -6.661 1.113 1.00 1.01 O ATOM 1005 CB PHE A 66 -5.374 -9.406 1.891 1.00 0.70 C ATOM 1006 CG PHE A 66 -6.200 -10.575 1.393 1.00 1.85 C ATOM 1007 CD1 PHE A 66 -5.583 -11.814 1.144 1.00 2.81 C ATOM 1008 CD2 PHE A 66 -7.578 -10.418 1.141 1.00 3.22 C ATOM 1009 CE1 PHE A 66 -6.335 -12.886 0.632 1.00 4.29 C ATOM 1010 CE2 PHE A 66 -8.334 -11.497 0.654 1.00 4.66 C ATOM 1011 CZ PHE A 66 -7.711 -12.729 0.391 1.00 5.02 C ATOM 0 H PHE A 66 -2.688 -8.923 1.901 1.00 0.58 H new ATOM 0 HA PHE A 66 -4.808 -9.048 -0.164 1.00 0.61 H new ATOM 0 HB2 PHE A 66 -4.761 -9.742 2.727 1.00 0.70 H new ATOM 0 HB3 PHE A 66 -6.048 -8.641 2.277 1.00 0.70 H new ATOM 0 HD1 PHE A 66 -4.530 -11.942 1.346 1.00 2.81 H new ATOM 0 HD2 PHE A 66 -8.054 -9.466 1.323 1.00 3.22 H new ATOM 0 HE1 PHE A 66 -5.855 -13.831 0.424 1.00 4.29 H new ATOM 0 HE2 PHE A 66 -9.394 -11.380 0.482 1.00 4.66 H new ATOM 0 HZ PHE A 66 -8.289 -13.555 0.004 1.00 5.02 H new ATOM 1021 N PHE A 67 -3.342 -6.558 0.746 1.00 0.55 N ATOM 1022 CA PHE A 67 -3.194 -5.117 0.943 1.00 0.61 C ATOM 1023 C PHE A 67 -4.236 -4.326 0.144 1.00 0.57 C ATOM 1024 O PHE A 67 -5.174 -3.753 0.696 1.00 0.72 O ATOM 1025 CB PHE A 67 -1.758 -4.716 0.557 1.00 0.75 C ATOM 1026 CG PHE A 67 -1.460 -3.230 0.568 1.00 0.84 C ATOM 1027 CD1 PHE A 67 -1.157 -2.584 1.779 1.00 1.93 C ATOM 1028 CD2 PHE A 67 -1.416 -2.504 -0.636 1.00 1.97 C ATOM 1029 CE1 PHE A 67 -0.865 -1.210 1.797 1.00 2.15 C ATOM 1030 CE2 PHE A 67 -1.140 -1.127 -0.618 1.00 1.94 C ATOM 1031 CZ PHE A 67 -0.867 -0.477 0.598 1.00 1.23 C ATOM 0 H PHE A 67 -2.473 -7.015 0.469 1.00 0.55 H new ATOM 0 HA PHE A 67 -3.369 -4.875 1.991 1.00 0.61 H new ATOM 0 HB2 PHE A 67 -1.067 -5.210 1.240 1.00 0.75 H new ATOM 0 HB3 PHE A 67 -1.550 -5.101 -0.441 1.00 0.75 H new ATOM 0 HD1 PHE A 67 -1.149 -3.147 2.701 1.00 1.93 H new ATOM 0 HD2 PHE A 67 -1.595 -3.006 -1.575 1.00 1.97 H new ATOM 0 HE1 PHE A 67 -0.639 -0.718 2.731 1.00 2.15 H new ATOM 0 HE2 PHE A 67 -1.138 -0.566 -1.541 1.00 1.94 H new ATOM 0 HZ PHE A 67 -0.659 0.583 0.611 1.00 1.23 H new ATOM 1041 N LEU A 68 -4.073 -4.309 -1.179 1.00 0.49 N ATOM 1042 CA LEU A 68 -4.924 -3.551 -2.083 1.00 0.50 C ATOM 1043 C LEU A 68 -6.312 -4.216 -2.163 1.00 0.54 C ATOM 1044 O LEU A 68 -7.306 -3.578 -2.505 1.00 0.70 O ATOM 1045 CB LEU A 68 -4.189 -3.490 -3.433 1.00 0.60 C ATOM 1046 CG LEU A 68 -4.348 -2.230 -4.298 1.00 1.26 C ATOM 1047 CD1 LEU A 68 -5.805 -1.935 -4.639 1.00 3.35 C ATOM 1048 CD2 LEU A 68 -3.691 -1.002 -3.655 1.00 1.98 C ATOM 0 H LEU A 68 -3.336 -4.829 -1.654 1.00 0.49 H new ATOM 0 HA LEU A 68 -5.105 -2.533 -1.739 1.00 0.50 H new ATOM 0 HB2 LEU A 68 -3.125 -3.626 -3.238 1.00 0.60 H new ATOM 0 HB3 LEU A 68 -4.516 -4.343 -4.027 1.00 0.60 H new ATOM 0 HG LEU A 68 -3.827 -2.444 -5.231 1.00 1.26 H new ATOM 0 HD11 LEU A 68 -5.860 -1.035 -5.251 1.00 3.35 H new ATOM 0 HD12 LEU A 68 -6.227 -2.775 -5.190 1.00 3.35 H new ATOM 0 HD13 LEU A 68 -6.370 -1.784 -3.719 1.00 3.35 H new ATOM 0 HD21 LEU A 68 -3.829 -0.135 -4.302 1.00 1.98 H new ATOM 0 HD22 LEU A 68 -4.151 -0.809 -2.686 1.00 1.98 H new ATOM 0 HD23 LEU A 68 -2.626 -1.188 -3.520 1.00 1.98 H new ATOM 1060 N GLN A 69 -6.391 -5.492 -1.773 1.00 0.53 N ATOM 1061 CA GLN A 69 -7.592 -6.314 -1.730 1.00 0.57 C ATOM 1062 C GLN A 69 -8.561 -5.907 -0.609 1.00 0.90 C ATOM 1063 O GLN A 69 -9.602 -6.538 -0.439 1.00 1.55 O ATOM 1064 CB GLN A 69 -7.204 -7.807 -1.640 1.00 0.53 C ATOM 1065 CG GLN A 69 -7.965 -8.644 -2.676 1.00 1.48 C ATOM 1066 CD GLN A 69 -7.333 -10.009 -2.942 1.00 1.25 C ATOM 1067 OE1 GLN A 69 -7.608 -10.974 -2.241 1.00 2.13 O ATOM 1068 NE2 GLN A 69 -6.517 -10.125 -3.984 1.00 1.46 N ATOM 0 H GLN A 69 -5.566 -6.004 -1.461 1.00 0.53 H new ATOM 0 HA GLN A 69 -8.137 -6.146 -2.659 1.00 0.57 H new ATOM 0 HB2 GLN A 69 -6.131 -7.916 -1.798 1.00 0.53 H new ATOM 0 HB3 GLN A 69 -7.418 -8.181 -0.639 1.00 0.53 H new ATOM 0 HG2 GLN A 69 -8.990 -8.788 -2.333 1.00 1.48 H new ATOM 0 HG3 GLN A 69 -8.017 -8.088 -3.612 1.00 1.48 H new ATOM 0 HE21 GLN A 69 -6.301 -9.308 -4.556 1.00 1.46 H new ATOM 0 HE22 GLN A 69 -6.107 -11.031 -4.212 1.00 1.46 H new ATOM 1077 N LYS A 70 -8.245 -4.865 0.168 1.00 0.73 N ATOM 1078 CA LYS A 70 -9.257 -4.151 0.941 1.00 0.87 C ATOM 1079 C LYS A 70 -10.086 -3.245 0.030 1.00 0.84 C ATOM 1080 O LYS A 70 -11.248 -2.970 0.323 1.00 1.17 O ATOM 1081 CB LYS A 70 -8.602 -3.323 2.059 1.00 1.05 C ATOM 1082 CG LYS A 70 -8.912 -3.905 3.440 1.00 1.35 C ATOM 1083 CD LYS A 70 -8.233 -5.265 3.656 1.00 1.00 C ATOM 1084 CE LYS A 70 -9.277 -6.332 4.012 1.00 1.50 C ATOM 1085 NZ LYS A 70 -8.660 -7.659 4.206 1.00 3.11 N ATOM 0 H LYS A 70 -7.298 -4.501 0.276 1.00 0.73 H new ATOM 0 HA LYS A 70 -9.919 -4.887 1.398 1.00 0.87 H new ATOM 0 HB2 LYS A 70 -7.523 -3.295 1.908 1.00 1.05 H new ATOM 0 HB3 LYS A 70 -8.958 -2.294 2.008 1.00 1.05 H new ATOM 0 HG2 LYS A 70 -8.581 -3.208 4.210 1.00 1.35 H new ATOM 0 HG3 LYS A 70 -9.990 -4.016 3.553 1.00 1.35 H new ATOM 0 HD2 LYS A 70 -7.697 -5.558 2.754 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -7.495 -5.188 4.455 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -9.801 -6.038 4.921 1.00 1.50 H new ATOM 0 HE3 LYS A 70 -10.022 -6.390 3.219 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -9.397 -8.353 4.445 1.00 3.11 H new ATOM 0 HZ2 LYS A 70 -8.181 -7.951 3.330 1.00 3.11 H new ATOM 0 HZ3 LYS A 70 -7.967 -7.610 4.980 1.00 3.11 H new ATOM 1099 N PHE A 71 -9.465 -2.718 -1.026 1.00 0.78 N ATOM 1100 CA PHE A 71 -10.061 -1.746 -1.924 1.00 1.00 C ATOM 1101 C PHE A 71 -10.690 -2.485 -3.104 1.00 1.12 C ATOM 1102 O PHE A 71 -11.882 -2.349 -3.362 1.00 1.49 O ATOM 1103 CB PHE A 71 -8.985 -0.781 -2.440 1.00 1.10 C ATOM 1104 CG PHE A 71 -8.050 -0.120 -1.433 1.00 1.41 C ATOM 1105 CD1 PHE A 71 -8.330 -0.082 -0.052 1.00 2.75 C ATOM 1106 CD2 PHE A 71 -6.911 0.546 -1.921 1.00 2.09 C ATOM 1107 CE1 PHE A 71 -7.500 0.653 0.814 1.00 3.31 C ATOM 1108 CE2 PHE A 71 -6.120 1.331 -1.067 1.00 2.70 C ATOM 1109 CZ PHE A 71 -6.444 1.420 0.294 1.00 2.88 C ATOM 0 H PHE A 71 -8.509 -2.966 -1.281 1.00 0.78 H new ATOM 0 HA PHE A 71 -10.822 -1.176 -1.391 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -8.369 -1.325 -3.155 1.00 1.10 H new ATOM 0 HB3 PHE A 71 -9.490 0.012 -2.992 1.00 1.10 H new ATOM 0 HD1 PHE A 71 -9.182 -0.617 0.341 1.00 2.75 H new ATOM 0 HD2 PHE A 71 -6.642 0.453 -2.963 1.00 2.09 H new ATOM 0 HE1 PHE A 71 -7.675 0.628 1.879 1.00 3.31 H new ATOM 0 HE2 PHE A 71 -5.265 1.864 -1.457 1.00 2.70 H new ATOM 0 HZ PHE A 71 -5.883 2.077 0.942 1.00 2.88 H new ATOM 1119 N GLU A 72 -9.853 -3.241 -3.820 1.00 0.90 N ATOM 1120 CA GLU A 72 -10.234 -4.031 -4.980 1.00 1.13 C ATOM 1121 C GLU A 72 -10.496 -5.464 -4.508 1.00 1.43 C ATOM 1122 O GLU A 72 -10.469 -5.739 -3.309 1.00 2.57 O ATOM 1123 CB GLU A 72 -9.090 -3.972 -6.010 1.00 1.22 C ATOM 1124 CG GLU A 72 -9.571 -3.930 -7.468 1.00 1.26 C ATOM 1125 CD GLU A 72 -10.144 -2.564 -7.821 1.00 1.87 C ATOM 1126 OE1 GLU A 72 -9.325 -1.630 -7.951 1.00 2.92 O ATOM 1127 OE2 GLU A 72 -11.384 -2.485 -7.941 1.00 2.85 O ATOM 0 H GLU A 72 -8.861 -3.318 -3.596 1.00 0.90 H new ATOM 0 HA GLU A 72 -11.137 -3.647 -5.454 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -8.481 -3.090 -5.813 1.00 1.22 H new ATOM 0 HB3 GLU A 72 -8.446 -4.841 -5.874 1.00 1.22 H new ATOM 0 HG2 GLU A 72 -8.740 -4.162 -8.134 1.00 1.26 H new ATOM 0 HG3 GLU A 72 -10.329 -4.697 -7.626 1.00 1.26 H new ATOM 1134 N SER A 73 -10.678 -6.387 -5.454 1.00 1.12 N ATOM 1135 CA SER A 73 -10.843 -7.806 -5.174 1.00 1.16 C ATOM 1136 C SER A 73 -10.016 -8.638 -6.152 1.00 1.26 C ATOM 1137 O SER A 73 -10.529 -9.586 -6.744 1.00 2.20 O ATOM 1138 CB SER A 73 -12.332 -8.175 -5.244 1.00 1.45 C ATOM 1139 OG SER A 73 -13.089 -7.355 -4.374 1.00 2.38 O ATOM 0 H SER A 73 -10.715 -6.162 -6.448 1.00 1.12 H new ATOM 0 HA SER A 73 -10.483 -8.023 -4.169 1.00 1.16 H new ATOM 0 HB2 SER A 73 -12.693 -8.061 -6.266 1.00 1.45 H new ATOM 0 HB3 SER A 73 -12.466 -9.222 -4.974 1.00 1.45 H new ATOM 0 HG SER A 73 -14.035 -7.602 -4.432 1.00 2.38 H new ATOM 1145 N GLY A 74 -8.741 -8.278 -6.324 1.00 1.33 N ATOM 1146 CA GLY A 74 -7.833 -8.952 -7.243 1.00 1.41 C ATOM 1147 C GLY A 74 -6.933 -7.931 -7.925 1.00 0.93 C ATOM 1148 O GLY A 74 -6.977 -7.789 -9.144 1.00 1.14 O ATOM 0 H GLY A 74 -8.310 -7.502 -5.822 1.00 1.33 H new ATOM 0 HA2 GLY A 74 -7.228 -9.679 -6.702 1.00 1.41 H new ATOM 0 HA3 GLY A 74 -8.402 -9.505 -7.990 1.00 1.41 H new ATOM 1152 N ALA A 75 -6.139 -7.204 -7.136 1.00 0.73 N ATOM 1153 CA ALA A 75 -5.223 -6.198 -7.645 1.00 0.70 C ATOM 1154 C ALA A 75 -3.867 -6.838 -7.966 1.00 0.99 C ATOM 1155 O ALA A 75 -3.700 -7.418 -9.038 1.00 2.01 O ATOM 1156 CB ALA A 75 -5.139 -5.063 -6.625 1.00 0.81 C ATOM 0 H ALA A 75 -6.118 -7.302 -6.121 1.00 0.73 H new ATOM 0 HA ALA A 75 -5.581 -5.772 -8.582 1.00 0.70 H new ATOM 0 HB1 ALA A 75 -4.455 -4.296 -6.989 1.00 0.81 H new ATOM 0 HB2 ALA A 75 -6.128 -4.628 -6.482 1.00 0.81 H new ATOM 0 HB3 ALA A 75 -4.774 -5.454 -5.675 1.00 0.81 H new ATOM 1162 N ARG A 76 -2.884 -6.721 -7.067 1.00 0.47 N ATOM 1163 CA ARG A 76 -1.550 -7.274 -7.263 1.00 0.52 C ATOM 1164 C ARG A 76 -0.960 -7.792 -5.952 1.00 0.61 C ATOM 1165 O ARG A 76 0.254 -7.863 -5.774 1.00 1.29 O ATOM 1166 CB ARG A 76 -0.644 -6.187 -7.845 1.00 0.71 C ATOM 1167 CG ARG A 76 0.394 -6.858 -8.733 1.00 0.74 C ATOM 1168 CD ARG A 76 -0.174 -7.063 -10.159 1.00 0.83 C ATOM 1169 NE ARG A 76 0.579 -6.255 -11.135 1.00 1.54 N ATOM 1170 CZ ARG A 76 1.907 -6.378 -11.230 1.00 2.07 C ATOM 1171 NH1 ARG A 76 2.451 -7.533 -10.841 1.00 3.28 N ATOM 1172 NH2 ARG A 76 2.659 -5.346 -11.612 1.00 2.83 N ATOM 0 H ARG A 76 -2.998 -6.235 -6.177 1.00 0.47 H new ATOM 0 HA ARG A 76 -1.621 -8.117 -7.950 1.00 0.52 H new ATOM 0 HB2 ARG A 76 -1.231 -5.471 -8.420 1.00 0.71 H new ATOM 0 HB3 ARG A 76 -0.157 -5.630 -7.045 1.00 0.71 H new ATOM 0 HG2 ARG A 76 1.295 -6.247 -8.777 1.00 0.74 H new ATOM 0 HG3 ARG A 76 0.681 -7.819 -8.307 1.00 0.74 H new ATOM 0 HD2 ARG A 76 -0.119 -8.117 -10.431 1.00 0.83 H new ATOM 0 HD3 ARG A 76 -1.227 -6.783 -10.181 1.00 0.83 H new ATOM 0 HE ARG A 76 0.085 -5.599 -11.740 1.00 1.54 H new ATOM 0 HH11 ARG A 76 1.857 -8.283 -10.487 1.00 3.28 H new ATOM 0 HH12 ARG A 76 3.461 -7.666 -10.898 1.00 3.28 H new ATOM 0 HH21 ARG A 76 2.222 -4.452 -11.835 1.00 2.83 H new ATOM 0 HH22 ARG A 76 3.671 -5.451 -11.681 1.00 2.83 H new ATOM 1186 N GLU A 77 -1.842 -8.133 -5.027 1.00 0.50 N ATOM 1187 CA GLU A 77 -1.524 -8.491 -3.664 1.00 0.57 C ATOM 1188 C GLU A 77 -0.869 -9.875 -3.660 1.00 0.43 C ATOM 1189 O GLU A 77 0.047 -10.158 -2.892 1.00 0.50 O ATOM 1190 CB GLU A 77 -2.817 -8.436 -2.846 1.00 0.82 C ATOM 1191 CG GLU A 77 -3.743 -7.278 -3.256 1.00 1.28 C ATOM 1192 CD GLU A 77 -4.773 -7.683 -4.310 1.00 3.38 C ATOM 1193 OE1 GLU A 77 -4.465 -8.572 -5.127 1.00 4.41 O ATOM 1194 OE2 GLU A 77 -5.883 -7.122 -4.348 1.00 4.69 O ATOM 0 H GLU A 77 -2.843 -8.168 -5.220 1.00 0.50 H new ATOM 0 HA GLU A 77 -0.814 -7.799 -3.211 1.00 0.57 H new ATOM 0 HB2 GLU A 77 -3.352 -9.379 -2.960 1.00 0.82 H new ATOM 0 HB3 GLU A 77 -2.567 -8.337 -1.790 1.00 0.82 H new ATOM 0 HG2 GLU A 77 -4.262 -6.905 -2.373 1.00 1.28 H new ATOM 0 HG3 GLU A 77 -3.140 -6.457 -3.642 1.00 1.28 H new ATOM 1201 N LEU A 78 -1.364 -10.721 -4.567 1.00 0.40 N ATOM 1202 CA LEU A 78 -0.920 -12.082 -4.805 1.00 0.43 C ATOM 1203 C LEU A 78 0.596 -12.148 -5.012 1.00 0.49 C ATOM 1204 O LEU A 78 1.269 -12.911 -4.324 1.00 0.73 O ATOM 1205 CB LEU A 78 -1.632 -12.702 -6.023 1.00 0.60 C ATOM 1206 CG LEU A 78 -3.147 -12.471 -6.192 1.00 0.83 C ATOM 1207 CD1 LEU A 78 -3.924 -12.465 -4.870 1.00 0.88 C ATOM 1208 CD2 LEU A 78 -3.468 -11.233 -7.046 1.00 0.97 C ATOM 0 H LEU A 78 -2.129 -10.452 -5.186 1.00 0.40 H new ATOM 0 HA LEU A 78 -1.179 -12.657 -3.916 1.00 0.43 H new ATOM 0 HB2 LEU A 78 -1.139 -12.328 -6.920 1.00 0.60 H new ATOM 0 HB3 LEU A 78 -1.463 -13.778 -5.992 1.00 0.60 H new ATOM 0 HG LEU A 78 -3.500 -13.343 -6.743 1.00 0.83 H new ATOM 0 HD11 LEU A 78 -4.982 -12.297 -5.071 1.00 0.88 H new ATOM 0 HD12 LEU A 78 -3.797 -13.425 -4.369 1.00 0.88 H new ATOM 0 HD13 LEU A 78 -3.545 -11.669 -4.229 1.00 0.88 H new ATOM 0 HD21 LEU A 78 -4.549 -11.120 -7.131 1.00 0.97 H new ATOM 0 HD22 LEU A 78 -3.046 -10.346 -6.574 1.00 0.97 H new ATOM 0 HD23 LEU A 78 -3.037 -11.355 -8.040 1.00 0.97 H new ATOM 1220 N THR A 79 1.121 -11.395 -5.990 1.00 0.40 N ATOM 1221 CA THR A 79 2.525 -11.473 -6.369 1.00 0.44 C ATOM 1222 C THR A 79 3.407 -11.121 -5.178 1.00 0.40 C ATOM 1223 O THR A 79 3.447 -9.969 -4.744 1.00 0.41 O ATOM 1224 CB THR A 79 2.849 -10.517 -7.519 1.00 0.58 C ATOM 1225 OG1 THR A 79 2.033 -10.738 -8.639 1.00 0.75 O ATOM 1226 CG2 THR A 79 4.297 -10.721 -7.993 1.00 0.89 C ATOM 0 H THR A 79 0.581 -10.721 -6.533 1.00 0.40 H new ATOM 0 HA THR A 79 2.720 -12.495 -6.695 1.00 0.44 H new ATOM 0 HB THR A 79 2.686 -9.512 -7.129 1.00 0.58 H new ATOM 0 HG1 THR A 79 2.272 -10.105 -9.348 1.00 0.75 H new ATOM 0 HG21 THR A 79 4.512 -10.034 -8.811 1.00 0.89 H new ATOM 0 HG22 THR A 79 4.981 -10.527 -7.167 1.00 0.89 H new ATOM 0 HG23 THR A 79 4.426 -11.747 -8.337 1.00 0.89 H new ATOM 1234 N GLU A 80 4.170 -12.095 -4.701 1.00 0.41 N ATOM 1235 CA GLU A 80 4.993 -11.920 -3.524 1.00 0.42 C ATOM 1236 C GLU A 80 6.074 -10.882 -3.799 1.00 0.47 C ATOM 1237 O GLU A 80 6.308 -10.021 -2.961 1.00 0.48 O ATOM 1238 CB GLU A 80 5.600 -13.241 -3.041 1.00 0.48 C ATOM 1239 CG GLU A 80 4.622 -14.425 -3.079 1.00 1.87 C ATOM 1240 CD GLU A 80 4.748 -15.232 -4.368 1.00 2.21 C ATOM 1241 OE1 GLU A 80 4.524 -14.629 -5.441 1.00 3.39 O ATOM 1242 OE2 GLU A 80 5.108 -16.422 -4.253 1.00 2.73 O ATOM 0 H GLU A 80 4.232 -13.023 -5.121 1.00 0.41 H new ATOM 0 HA GLU A 80 4.355 -11.561 -2.717 1.00 0.42 H new ATOM 0 HB2 GLU A 80 6.467 -13.478 -3.658 1.00 0.48 H new ATOM 0 HB3 GLU A 80 5.960 -13.112 -2.020 1.00 0.48 H new ATOM 0 HG2 GLU A 80 4.808 -15.076 -2.225 1.00 1.87 H new ATOM 0 HG3 GLU A 80 3.601 -14.055 -2.982 1.00 1.87 H new ATOM 1249 N SER A 81 6.736 -10.954 -4.958 1.00 0.60 N ATOM 1250 CA SER A 81 7.748 -9.992 -5.375 1.00 0.69 C ATOM 1251 C SER A 81 7.212 -8.565 -5.245 1.00 0.64 C ATOM 1252 O SER A 81 7.730 -7.768 -4.470 1.00 0.67 O ATOM 1253 CB SER A 81 8.184 -10.316 -6.811 1.00 0.80 C ATOM 1254 OG SER A 81 8.233 -11.725 -6.956 1.00 1.54 O ATOM 0 H SER A 81 6.578 -11.696 -5.640 1.00 0.60 H new ATOM 0 HA SER A 81 8.622 -10.063 -4.727 1.00 0.69 H new ATOM 0 HB2 SER A 81 7.484 -9.885 -7.526 1.00 0.80 H new ATOM 0 HB3 SER A 81 9.161 -9.879 -7.019 1.00 0.80 H new ATOM 0 HG SER A 81 8.508 -11.951 -7.869 1.00 1.54 H new ATOM 1260 N GLU A 82 6.125 -8.276 -5.959 1.00 0.63 N ATOM 1261 CA GLU A 82 5.469 -6.983 -5.942 1.00 0.59 C ATOM 1262 C GLU A 82 5.105 -6.579 -4.512 1.00 0.52 C ATOM 1263 O GLU A 82 5.405 -5.467 -4.077 1.00 0.55 O ATOM 1264 CB GLU A 82 4.219 -7.035 -6.836 1.00 0.65 C ATOM 1265 CG GLU A 82 4.198 -5.898 -7.861 1.00 1.42 C ATOM 1266 CD GLU A 82 4.678 -6.263 -9.261 1.00 1.56 C ATOM 1267 OE1 GLU A 82 4.732 -7.466 -9.599 1.00 2.39 O ATOM 1268 OE2 GLU A 82 4.803 -5.331 -10.086 1.00 2.60 O ATOM 0 H GLU A 82 5.672 -8.951 -6.575 1.00 0.63 H new ATOM 0 HA GLU A 82 6.152 -6.228 -6.332 1.00 0.59 H new ATOM 0 HB2 GLU A 82 4.185 -7.992 -7.356 1.00 0.65 H new ATOM 0 HB3 GLU A 82 3.326 -6.978 -6.214 1.00 0.65 H new ATOM 0 HG2 GLU A 82 3.179 -5.517 -7.934 1.00 1.42 H new ATOM 0 HG3 GLU A 82 4.817 -5.083 -7.485 1.00 1.42 H new ATOM 1275 N THR A 83 4.463 -7.482 -3.764 1.00 0.44 N ATOM 1276 CA THR A 83 4.092 -7.164 -2.393 1.00 0.39 C ATOM 1277 C THR A 83 5.352 -6.815 -1.586 1.00 0.46 C ATOM 1278 O THR A 83 5.348 -5.896 -0.771 1.00 0.56 O ATOM 1279 CB THR A 83 3.247 -8.284 -1.749 1.00 0.44 C ATOM 1280 OG1 THR A 83 2.082 -7.705 -1.205 1.00 0.90 O ATOM 1281 CG2 THR A 83 3.908 -9.068 -0.609 1.00 0.62 C ATOM 0 H THR A 83 4.197 -8.415 -4.080 1.00 0.44 H new ATOM 0 HA THR A 83 3.446 -6.286 -2.394 1.00 0.39 H new ATOM 0 HB THR A 83 3.074 -8.994 -2.558 1.00 0.44 H new ATOM 0 HG1 THR A 83 1.532 -8.403 -0.792 1.00 0.90 H new ATOM 0 HG21 THR A 83 3.217 -9.825 -0.240 1.00 0.62 H new ATOM 0 HG22 THR A 83 4.813 -9.551 -0.977 1.00 0.62 H new ATOM 0 HG23 THR A 83 4.165 -8.385 0.201 1.00 0.62 H new ATOM 1289 N LYS A 84 6.447 -7.542 -1.830 1.00 0.44 N ATOM 1290 CA LYS A 84 7.729 -7.317 -1.193 1.00 0.45 C ATOM 1291 C LYS A 84 8.365 -6.012 -1.667 1.00 0.44 C ATOM 1292 O LYS A 84 9.105 -5.412 -0.906 1.00 0.46 O ATOM 1293 CB LYS A 84 8.662 -8.522 -1.371 1.00 0.55 C ATOM 1294 CG LYS A 84 8.199 -9.692 -0.493 1.00 1.66 C ATOM 1295 CD LYS A 84 8.893 -10.991 -0.917 1.00 2.16 C ATOM 1296 CE LYS A 84 8.423 -12.149 -0.027 1.00 3.69 C ATOM 1297 NZ LYS A 84 8.960 -13.451 -0.476 1.00 4.74 N ATOM 0 H LYS A 84 6.457 -8.318 -2.492 1.00 0.44 H new ATOM 0 HA LYS A 84 7.556 -7.211 -0.122 1.00 0.45 H new ATOM 0 HB2 LYS A 84 8.676 -8.828 -2.417 1.00 0.55 H new ATOM 0 HB3 LYS A 84 9.682 -8.242 -1.107 1.00 0.55 H new ATOM 0 HG2 LYS A 84 8.421 -9.479 0.553 1.00 1.66 H new ATOM 0 HG3 LYS A 84 7.118 -9.808 -0.572 1.00 1.66 H new ATOM 0 HD2 LYS A 84 8.669 -11.209 -1.961 1.00 2.16 H new ATOM 0 HD3 LYS A 84 9.974 -10.878 -0.840 1.00 2.16 H new ATOM 0 HE2 LYS A 84 8.734 -11.964 1.001 1.00 3.69 H new ATOM 0 HE3 LYS A 84 7.334 -12.187 -0.028 1.00 3.69 H new ATOM 0 HZ1 LYS A 84 8.617 -14.204 0.154 1.00 4.74 H new ATOM 0 HZ2 LYS A 84 8.642 -13.641 -1.448 1.00 4.74 H new ATOM 0 HZ3 LYS A 84 9.999 -13.425 -0.450 1.00 4.74 H new ATOM 1311 N SER A 85 8.084 -5.531 -2.876 1.00 0.46 N ATOM 1312 CA SER A 85 8.483 -4.193 -3.301 1.00 0.49 C ATOM 1313 C SER A 85 7.889 -3.147 -2.355 1.00 0.48 C ATOM 1314 O SER A 85 8.603 -2.253 -1.898 1.00 0.54 O ATOM 1315 CB SER A 85 8.076 -3.931 -4.757 1.00 0.54 C ATOM 1316 OG SER A 85 8.524 -4.995 -5.572 1.00 1.31 O ATOM 0 H SER A 85 7.575 -6.057 -3.586 1.00 0.46 H new ATOM 0 HA SER A 85 9.570 -4.120 -3.255 1.00 0.49 H new ATOM 0 HB2 SER A 85 6.993 -3.834 -4.831 1.00 0.54 H new ATOM 0 HB3 SER A 85 8.505 -2.990 -5.102 1.00 0.54 H new ATOM 0 HG SER A 85 8.262 -4.828 -6.501 1.00 1.31 H new ATOM 1322 N LEU A 86 6.595 -3.271 -2.027 1.00 0.44 N ATOM 1323 CA LEU A 86 6.011 -2.450 -0.971 1.00 0.48 C ATOM 1324 C LEU A 86 6.720 -2.729 0.355 1.00 0.42 C ATOM 1325 O LEU A 86 7.280 -1.802 0.945 1.00 0.47 O ATOM 1326 CB LEU A 86 4.492 -2.648 -0.832 1.00 0.59 C ATOM 1327 CG LEU A 86 3.669 -1.851 -1.860 1.00 1.17 C ATOM 1328 CD1 LEU A 86 3.165 -2.749 -2.994 1.00 3.04 C ATOM 1329 CD2 LEU A 86 2.469 -1.204 -1.158 1.00 2.46 C ATOM 0 H LEU A 86 5.947 -3.921 -2.472 1.00 0.44 H new ATOM 0 HA LEU A 86 6.159 -1.407 -1.250 1.00 0.48 H new ATOM 0 HB2 LEU A 86 4.261 -3.708 -0.938 1.00 0.59 H new ATOM 0 HB3 LEU A 86 4.186 -2.354 0.172 1.00 0.59 H new ATOM 0 HG LEU A 86 4.315 -1.087 -2.292 1.00 1.17 H new ATOM 0 HD11 LEU A 86 2.588 -2.153 -3.701 1.00 3.04 H new ATOM 0 HD12 LEU A 86 4.015 -3.199 -3.507 1.00 3.04 H new ATOM 0 HD13 LEU A 86 2.533 -3.535 -2.582 1.00 3.04 H new ATOM 0 HD21 LEU A 86 1.884 -0.639 -1.884 1.00 2.46 H new ATOM 0 HD22 LEU A 86 1.845 -1.980 -0.715 1.00 2.46 H new ATOM 0 HD23 LEU A 86 2.824 -0.533 -0.376 1.00 2.46 H new ATOM 1341 N MET A 87 6.683 -3.987 0.822 1.00 0.39 N ATOM 1342 CA MET A 87 7.229 -4.371 2.121 1.00 0.42 C ATOM 1343 C MET A 87 8.619 -3.774 2.346 1.00 0.49 C ATOM 1344 O MET A 87 8.869 -3.137 3.357 1.00 0.61 O ATOM 1345 CB MET A 87 7.315 -5.898 2.259 1.00 0.43 C ATOM 1346 CG MET A 87 7.472 -6.322 3.727 1.00 0.67 C ATOM 1347 SD MET A 87 8.014 -8.030 4.000 1.00 1.57 S ATOM 1348 CE MET A 87 9.733 -7.935 3.446 1.00 2.73 C ATOM 0 H MET A 87 6.272 -4.763 0.304 1.00 0.39 H new ATOM 0 HA MET A 87 6.547 -3.977 2.874 1.00 0.42 H new ATOM 0 HB2 MET A 87 6.417 -6.353 1.842 1.00 0.43 H new ATOM 0 HB3 MET A 87 8.160 -6.270 1.679 1.00 0.43 H new ATOM 0 HG2 MET A 87 8.188 -5.653 4.204 1.00 0.67 H new ATOM 0 HG3 MET A 87 6.516 -6.179 4.231 1.00 0.67 H new ATOM 0 HE1 MET A 87 10.258 -8.847 3.730 1.00 2.73 H new ATOM 0 HE2 MET A 87 9.760 -7.824 2.362 1.00 2.73 H new ATOM 0 HE3 MET A 87 10.218 -7.077 3.911 1.00 2.73 H new ATOM 1358 N ALA A 88 9.519 -4.020 1.397 1.00 0.51 N ATOM 1359 CA ALA A 88 10.924 -3.666 1.402 1.00 0.56 C ATOM 1360 C ALA A 88 11.113 -2.210 1.818 1.00 0.63 C ATOM 1361 O ALA A 88 11.707 -1.921 2.858 1.00 1.00 O ATOM 1362 CB ALA A 88 11.486 -3.943 -0.003 1.00 0.58 C ATOM 0 H ALA A 88 9.258 -4.510 0.541 1.00 0.51 H new ATOM 0 HA ALA A 88 11.468 -4.266 2.131 1.00 0.56 H new ATOM 0 HB1 ALA A 88 12.545 -3.685 -0.029 1.00 0.58 H new ATOM 0 HB2 ALA A 88 11.364 -4.999 -0.242 1.00 0.58 H new ATOM 0 HB3 ALA A 88 10.948 -3.341 -0.735 1.00 0.58 H new ATOM 1368 N ALA A 89 10.596 -1.288 1.001 1.00 0.41 N ATOM 1369 CA ALA A 89 10.714 0.127 1.299 1.00 0.46 C ATOM 1370 C ALA A 89 9.941 0.459 2.567 1.00 0.48 C ATOM 1371 O ALA A 89 10.504 1.048 3.479 1.00 0.68 O ATOM 1372 CB ALA A 89 10.226 0.964 0.121 1.00 0.56 C ATOM 0 H ALA A 89 10.097 -1.501 0.137 1.00 0.41 H new ATOM 0 HA ALA A 89 11.764 0.368 1.466 1.00 0.46 H new ATOM 0 HB1 ALA A 89 10.322 2.023 0.362 1.00 0.56 H new ATOM 0 HB2 ALA A 89 10.826 0.737 -0.760 1.00 0.56 H new ATOM 0 HB3 ALA A 89 9.181 0.731 -0.082 1.00 0.56 H new ATOM 1378 N ALA A 90 8.659 0.087 2.628 1.00 0.39 N ATOM 1379 CA ALA A 90 7.804 0.427 3.760 1.00 0.40 C ATOM 1380 C ALA A 90 8.456 0.062 5.092 1.00 0.42 C ATOM 1381 O ALA A 90 8.319 0.793 6.067 1.00 0.51 O ATOM 1382 CB ALA A 90 6.469 -0.299 3.624 1.00 0.39 C ATOM 0 H ALA A 90 8.192 -0.453 1.900 1.00 0.39 H new ATOM 0 HA ALA A 90 7.647 1.506 3.752 1.00 0.40 H new ATOM 0 HB1 ALA A 90 5.829 -0.046 4.469 1.00 0.39 H new ATOM 0 HB2 ALA A 90 5.983 0.005 2.697 1.00 0.39 H new ATOM 0 HB3 ALA A 90 6.640 -1.375 3.608 1.00 0.39 H new ATOM 1388 N ASP A 91 9.134 -1.085 5.129 1.00 0.38 N ATOM 1389 CA ASP A 91 9.833 -1.576 6.294 1.00 0.41 C ATOM 1390 C ASP A 91 11.091 -0.751 6.544 1.00 0.53 C ATOM 1391 O ASP A 91 11.269 -0.224 7.635 1.00 2.42 O ATOM 1392 CB ASP A 91 10.199 -3.050 6.095 1.00 0.34 C ATOM 1393 CG ASP A 91 10.988 -3.559 7.279 1.00 0.45 C ATOM 1394 OD1 ASP A 91 10.354 -3.737 8.342 1.00 0.83 O ATOM 1395 OD2 ASP A 91 12.208 -3.776 7.145 1.00 0.56 O ATOM 0 H ASP A 91 9.208 -1.707 4.324 1.00 0.38 H new ATOM 0 HA ASP A 91 9.181 -1.484 7.163 1.00 0.41 H new ATOM 0 HB2 ASP A 91 9.293 -3.643 5.971 1.00 0.34 H new ATOM 0 HB3 ASP A 91 10.784 -3.167 5.182 1.00 0.34 H new ATOM 1400 N ASN A 92 11.987 -0.710 5.551 1.00 1.86 N ATOM 1401 CA ASN A 92 13.300 -0.066 5.621 1.00 2.14 C ATOM 1402 C ASN A 92 14.106 -0.380 6.891 1.00 1.88 C ATOM 1403 O ASN A 92 14.978 0.411 7.251 1.00 2.20 O ATOM 1404 CB ASN A 92 13.212 1.449 5.346 1.00 2.65 C ATOM 1405 CG ASN A 92 12.485 2.258 6.425 1.00 1.99 C ATOM 1406 OD1 ASN A 92 11.432 2.832 6.171 1.00 2.38 O ATOM 1407 ND2 ASN A 92 13.054 2.360 7.621 1.00 3.04 N ATOM 0 H ASN A 92 11.809 -1.141 4.644 1.00 1.86 H new ATOM 0 HA ASN A 92 13.876 -0.520 4.815 1.00 2.14 H new ATOM 0 HB2 ASN A 92 14.222 1.843 5.236 1.00 2.65 H new ATOM 0 HB3 ASN A 92 12.704 1.602 4.394 1.00 2.65 H new ATOM 0 HD21 ASN A 92 12.615 2.924 8.348 1.00 3.04 H new ATOM 0 HD22 ASN A 92 13.930 1.874 7.812 1.00 3.04 H new ATOM 1414 N ASP A 93 13.865 -1.524 7.542 1.00 1.41 N ATOM 1415 CA ASP A 93 14.608 -1.958 8.725 1.00 1.12 C ATOM 1416 C ASP A 93 15.440 -3.190 8.379 1.00 1.09 C ATOM 1417 O ASP A 93 16.598 -3.309 8.773 1.00 1.20 O ATOM 1418 CB ASP A 93 13.650 -2.327 9.866 1.00 0.83 C ATOM 1419 CG ASP A 93 12.862 -1.154 10.425 1.00 1.18 C ATOM 1420 OD1 ASP A 93 13.493 -0.132 10.757 1.00 1.85 O ATOM 1421 OD2 ASP A 93 11.628 -1.339 10.563 1.00 0.99 O ATOM 0 H ASP A 93 13.139 -2.181 7.256 1.00 1.41 H new ATOM 0 HA ASP A 93 15.250 -1.137 9.044 1.00 1.12 H new ATOM 0 HB2 ASP A 93 12.950 -3.082 9.507 1.00 0.83 H new ATOM 0 HB3 ASP A 93 14.224 -2.782 10.673 1.00 0.83 H new ATOM 1426 N GLY A 94 14.809 -4.132 7.678 1.00 1.08 N ATOM 1427 CA GLY A 94 15.229 -5.509 7.547 1.00 1.19 C ATOM 1428 C GLY A 94 14.456 -6.375 8.543 1.00 1.01 C ATOM 1429 O GLY A 94 15.049 -7.286 9.120 1.00 1.24 O ATOM 0 H GLY A 94 13.950 -3.936 7.164 1.00 1.08 H new ATOM 0 HA2 GLY A 94 15.052 -5.859 6.530 1.00 1.19 H new ATOM 0 HA3 GLY A 94 16.300 -5.593 7.731 1.00 1.19 H new ATOM 1433 N ASP A 95 13.151 -6.116 8.737 1.00 0.73 N ATOM 1434 CA ASP A 95 12.294 -6.959 9.579 1.00 0.76 C ATOM 1435 C ASP A 95 11.028 -7.406 8.838 1.00 0.86 C ATOM 1436 O ASP A 95 10.715 -8.595 8.840 1.00 1.24 O ATOM 1437 CB ASP A 95 12.042 -6.339 10.967 1.00 0.60 C ATOM 1438 CG ASP A 95 10.874 -5.374 11.028 1.00 0.70 C ATOM 1439 OD1 ASP A 95 9.732 -5.848 10.912 1.00 1.62 O ATOM 1440 OD2 ASP A 95 11.088 -4.153 11.186 1.00 1.77 O ATOM 0 H ASP A 95 12.667 -5.323 8.317 1.00 0.73 H new ATOM 0 HA ASP A 95 12.838 -7.880 9.789 1.00 0.76 H new ATOM 0 HB2 ASP A 95 11.869 -7.143 11.683 1.00 0.60 H new ATOM 0 HB3 ASP A 95 12.944 -5.817 11.286 1.00 0.60 H new ATOM 1445 N GLY A 96 10.330 -6.486 8.168 1.00 0.58 N ATOM 1446 CA GLY A 96 9.207 -6.790 7.287 1.00 0.60 C ATOM 1447 C GLY A 96 7.870 -6.343 7.875 1.00 0.62 C ATOM 1448 O GLY A 96 6.942 -6.044 7.126 1.00 0.73 O ATOM 0 H GLY A 96 10.537 -5.489 8.226 1.00 0.58 H new ATOM 0 HA2 GLY A 96 9.360 -6.300 6.325 1.00 0.60 H new ATOM 0 HA3 GLY A 96 9.177 -7.863 7.097 1.00 0.60 H new ATOM 1452 N LYS A 97 7.755 -6.291 9.204 1.00 0.65 N ATOM 1453 CA LYS A 97 6.593 -5.770 9.896 1.00 0.69 C ATOM 1454 C LYS A 97 6.676 -4.245 9.875 1.00 0.60 C ATOM 1455 O LYS A 97 7.733 -3.649 10.136 1.00 0.57 O ATOM 1456 CB LYS A 97 6.541 -6.328 11.324 1.00 0.76 C ATOM 1457 CG LYS A 97 6.397 -7.860 11.294 1.00 1.99 C ATOM 1458 CD LYS A 97 7.334 -8.512 12.315 1.00 1.83 C ATOM 1459 CE LYS A 97 7.295 -10.037 12.140 1.00 3.48 C ATOM 1460 NZ LYS A 97 8.238 -10.719 13.045 1.00 4.12 N ATOM 0 H LYS A 97 8.487 -6.619 9.834 1.00 0.65 H new ATOM 0 HA LYS A 97 5.671 -6.079 9.403 1.00 0.69 H new ATOM 0 HB2 LYS A 97 7.447 -6.052 11.863 1.00 0.76 H new ATOM 0 HB3 LYS A 97 5.702 -5.888 11.863 1.00 0.76 H new ATOM 0 HG2 LYS A 97 5.365 -8.138 11.511 1.00 1.99 H new ATOM 0 HG3 LYS A 97 6.624 -8.232 10.295 1.00 1.99 H new ATOM 0 HD2 LYS A 97 8.351 -8.145 12.178 1.00 1.83 H new ATOM 0 HD3 LYS A 97 7.031 -8.243 13.327 1.00 1.83 H new ATOM 0 HE2 LYS A 97 6.284 -10.398 12.330 1.00 3.48 H new ATOM 0 HE3 LYS A 97 7.535 -10.290 11.107 1.00 3.48 H new ATOM 0 HZ1 LYS A 97 8.181 -11.747 12.896 1.00 4.12 H new ATOM 0 HZ2 LYS A 97 9.206 -10.394 12.847 1.00 4.12 H new ATOM 0 HZ3 LYS A 97 7.993 -10.499 14.031 1.00 4.12 H new ATOM 1474 N ILE A 98 5.559 -3.630 9.491 1.00 0.72 N ATOM 1475 CA ILE A 98 5.473 -2.230 9.124 1.00 0.60 C ATOM 1476 C ILE A 98 4.421 -1.565 10.004 1.00 0.70 C ATOM 1477 O ILE A 98 3.225 -1.785 9.816 1.00 1.12 O ATOM 1478 CB ILE A 98 5.112 -2.170 7.634 1.00 0.50 C ATOM 1479 CG1 ILE A 98 6.295 -2.662 6.786 1.00 0.47 C ATOM 1480 CG2 ILE A 98 4.736 -0.758 7.184 1.00 0.51 C ATOM 1481 CD1 ILE A 98 5.813 -3.422 5.555 1.00 0.59 C ATOM 0 H ILE A 98 4.663 -4.114 9.427 1.00 0.72 H new ATOM 0 HA ILE A 98 6.412 -1.698 9.277 1.00 0.60 H new ATOM 0 HB ILE A 98 4.245 -2.814 7.491 1.00 0.50 H new ATOM 0 HG12 ILE A 98 6.903 -1.812 6.477 1.00 0.47 H new ATOM 0 HG13 ILE A 98 6.934 -3.308 7.388 1.00 0.47 H new ATOM 0 HG21 ILE A 98 4.489 -0.768 6.122 1.00 0.51 H new ATOM 0 HG22 ILE A 98 3.874 -0.412 7.754 1.00 0.51 H new ATOM 0 HG23 ILE A 98 5.577 -0.086 7.354 1.00 0.51 H new ATOM 0 HD11 ILE A 98 6.673 -3.758 4.975 1.00 0.59 H new ATOM 0 HD12 ILE A 98 5.226 -4.286 5.867 1.00 0.59 H new ATOM 0 HD13 ILE A 98 5.195 -2.766 4.942 1.00 0.59 H new ATOM 1493 N GLY A 99 4.848 -0.760 10.975 1.00 0.63 N ATOM 1494 CA GLY A 99 3.951 0.114 11.702 1.00 0.70 C ATOM 1495 C GLY A 99 3.324 1.135 10.751 1.00 0.56 C ATOM 1496 O GLY A 99 3.838 1.414 9.664 1.00 0.45 O ATOM 0 H GLY A 99 5.822 -0.701 11.273 1.00 0.63 H new ATOM 0 HA2 GLY A 99 3.169 -0.474 12.183 1.00 0.70 H new ATOM 0 HA3 GLY A 99 4.495 0.629 12.493 1.00 0.70 H new ATOM 1500 N ALA A 100 2.211 1.737 11.173 1.00 0.67 N ATOM 1501 CA ALA A 100 1.561 2.770 10.384 1.00 0.72 C ATOM 1502 C ALA A 100 2.530 3.925 10.145 1.00 0.75 C ATOM 1503 O ALA A 100 2.527 4.509 9.068 1.00 0.75 O ATOM 1504 CB ALA A 100 0.295 3.254 11.087 1.00 0.96 C ATOM 0 H ALA A 100 1.746 1.524 12.055 1.00 0.67 H new ATOM 0 HA ALA A 100 1.272 2.356 9.418 1.00 0.72 H new ATOM 0 HB1 ALA A 100 -0.182 4.028 10.485 1.00 0.96 H new ATOM 0 HB2 ALA A 100 -0.393 2.418 11.215 1.00 0.96 H new ATOM 0 HB3 ALA A 100 0.555 3.662 12.064 1.00 0.96 H new ATOM 1510 N GLU A 101 3.355 4.242 11.146 1.00 0.83 N ATOM 1511 CA GLU A 101 4.320 5.321 11.061 1.00 0.93 C ATOM 1512 C GLU A 101 5.405 5.021 10.022 1.00 0.67 C ATOM 1513 O GLU A 101 5.663 5.864 9.168 1.00 0.67 O ATOM 1514 CB GLU A 101 4.879 5.636 12.453 1.00 1.25 C ATOM 1515 CG GLU A 101 3.735 6.063 13.387 1.00 2.22 C ATOM 1516 CD GLU A 101 4.249 6.531 14.740 1.00 2.43 C ATOM 1517 OE1 GLU A 101 5.073 5.790 15.316 1.00 2.13 O ATOM 1518 OE2 GLU A 101 3.788 7.607 15.178 1.00 3.79 O ATOM 0 H GLU A 101 3.366 3.750 12.039 1.00 0.83 H new ATOM 0 HA GLU A 101 3.820 6.222 10.707 1.00 0.93 H new ATOM 0 HB2 GLU A 101 5.385 4.760 12.859 1.00 1.25 H new ATOM 0 HB3 GLU A 101 5.622 6.431 12.386 1.00 1.25 H new ATOM 0 HG2 GLU A 101 3.165 6.865 12.919 1.00 2.22 H new ATOM 0 HG3 GLU A 101 3.051 5.226 13.529 1.00 2.22 H new ATOM 1525 N GLU A 102 5.996 3.818 10.047 1.00 0.56 N ATOM 1526 CA GLU A 102 6.893 3.346 8.991 1.00 0.42 C ATOM 1527 C GLU A 102 6.249 3.593 7.618 1.00 0.41 C ATOM 1528 O GLU A 102 6.827 4.227 6.733 1.00 0.43 O ATOM 1529 CB GLU A 102 7.178 1.845 9.181 1.00 0.42 C ATOM 1530 CG GLU A 102 8.093 1.509 10.364 1.00 0.61 C ATOM 1531 CD GLU A 102 8.115 0.007 10.621 1.00 0.89 C ATOM 1532 OE1 GLU A 102 8.740 -0.740 9.837 1.00 1.10 O ATOM 1533 OE2 GLU A 102 7.460 -0.435 11.584 1.00 1.95 O ATOM 0 H GLU A 102 5.863 3.146 10.803 1.00 0.56 H new ATOM 0 HA GLU A 102 7.834 3.893 9.045 1.00 0.42 H new ATOM 0 HB2 GLU A 102 6.230 1.324 9.314 1.00 0.42 H new ATOM 0 HB3 GLU A 102 7.630 1.457 8.268 1.00 0.42 H new ATOM 0 HG2 GLU A 102 9.104 1.862 10.160 1.00 0.61 H new ATOM 0 HG3 GLU A 102 7.747 2.030 11.257 1.00 0.61 H new ATOM 1540 N PHE A 103 5.017 3.102 7.449 1.00 0.42 N ATOM 1541 CA PHE A 103 4.365 3.147 6.148 1.00 0.55 C ATOM 1542 C PHE A 103 4.058 4.596 5.729 1.00 0.61 C ATOM 1543 O PHE A 103 4.301 4.980 4.586 1.00 0.66 O ATOM 1544 CB PHE A 103 3.120 2.243 6.156 1.00 0.72 C ATOM 1545 CG PHE A 103 2.909 1.364 4.930 1.00 1.38 C ATOM 1546 CD1 PHE A 103 3.384 1.746 3.657 1.00 2.27 C ATOM 1547 CD2 PHE A 103 2.233 0.136 5.071 1.00 2.45 C ATOM 1548 CE1 PHE A 103 3.211 0.893 2.553 1.00 2.81 C ATOM 1549 CE2 PHE A 103 2.113 -0.739 3.977 1.00 3.19 C ATOM 1550 CZ PHE A 103 2.592 -0.356 2.715 1.00 2.97 C ATOM 0 H PHE A 103 4.462 2.675 8.190 1.00 0.42 H new ATOM 0 HA PHE A 103 5.044 2.756 5.390 1.00 0.55 H new ATOM 0 HB2 PHE A 103 3.173 1.598 7.033 1.00 0.72 H new ATOM 0 HB3 PHE A 103 2.240 2.875 6.278 1.00 0.72 H new ATOM 0 HD1 PHE A 103 3.882 2.696 3.531 1.00 2.27 H new ATOM 0 HD2 PHE A 103 1.805 -0.135 6.025 1.00 2.45 H new ATOM 0 HE1 PHE A 103 3.556 1.200 1.577 1.00 2.81 H new ATOM 0 HE2 PHE A 103 1.652 -1.707 4.108 1.00 3.19 H new ATOM 0 HZ PHE A 103 2.485 -1.021 1.871 1.00 2.97 H new ATOM 1560 N GLN A 104 3.535 5.407 6.657 1.00 0.66 N ATOM 1561 CA GLN A 104 3.326 6.844 6.497 1.00 0.73 C ATOM 1562 C GLN A 104 4.623 7.499 6.034 1.00 0.80 C ATOM 1563 O GLN A 104 4.595 8.178 5.020 1.00 1.02 O ATOM 1564 CB GLN A 104 2.845 7.444 7.824 1.00 0.80 C ATOM 1565 CG GLN A 104 2.497 8.934 7.690 1.00 1.01 C ATOM 1566 CD GLN A 104 2.296 9.597 9.050 1.00 1.31 C ATOM 1567 OE1 GLN A 104 2.761 10.707 9.278 1.00 2.72 O ATOM 1568 NE2 GLN A 104 1.597 8.935 9.968 1.00 2.13 N ATOM 0 H GLN A 104 3.237 5.065 7.570 1.00 0.66 H new ATOM 0 HA GLN A 104 2.561 7.027 5.742 1.00 0.73 H new ATOM 0 HB2 GLN A 104 1.969 6.897 8.173 1.00 0.80 H new ATOM 0 HB3 GLN A 104 3.620 7.319 8.580 1.00 0.80 H new ATOM 0 HG2 GLN A 104 3.294 9.446 7.151 1.00 1.01 H new ATOM 0 HG3 GLN A 104 1.590 9.043 7.096 1.00 1.01 H new ATOM 0 HE21 GLN A 104 1.220 8.012 9.754 1.00 2.13 H new ATOM 0 HE22 GLN A 104 1.438 9.351 10.886 1.00 2.13 H new ATOM 1577 N GLU A 105 5.738 7.309 6.748 1.00 0.68 N ATOM 1578 CA GLU A 105 7.037 7.846 6.352 1.00 0.69 C ATOM 1579 C GLU A 105 7.311 7.534 4.884 1.00 0.65 C ATOM 1580 O GLU A 105 7.601 8.426 4.087 1.00 0.78 O ATOM 1581 CB GLU A 105 8.156 7.271 7.239 1.00 0.65 C ATOM 1582 CG GLU A 105 8.597 8.271 8.315 1.00 1.16 C ATOM 1583 CD GLU A 105 9.440 9.394 7.722 1.00 2.66 C ATOM 1584 OE1 GLU A 105 10.653 9.151 7.539 1.00 3.50 O ATOM 1585 OE2 GLU A 105 8.857 10.466 7.455 1.00 4.00 O ATOM 0 H GLU A 105 5.761 6.777 7.618 1.00 0.68 H new ATOM 0 HA GLU A 105 7.018 8.928 6.483 1.00 0.69 H new ATOM 0 HB2 GLU A 105 7.808 6.354 7.715 1.00 0.65 H new ATOM 0 HB3 GLU A 105 9.011 7.003 6.618 1.00 0.65 H new ATOM 0 HG2 GLU A 105 7.718 8.693 8.803 1.00 1.16 H new ATOM 0 HG3 GLU A 105 9.170 7.751 9.083 1.00 1.16 H new ATOM 1592 N MET A 106 7.190 6.261 4.509 1.00 0.51 N ATOM 1593 CA MET A 106 7.499 5.876 3.145 1.00 0.55 C ATOM 1594 C MET A 106 6.571 6.582 2.156 1.00 0.72 C ATOM 1595 O MET A 106 7.032 7.139 1.161 1.00 0.87 O ATOM 1596 CB MET A 106 7.488 4.353 2.995 1.00 0.56 C ATOM 1597 CG MET A 106 8.732 3.908 2.217 1.00 1.16 C ATOM 1598 SD MET A 106 10.297 4.078 3.121 1.00 2.99 S ATOM 1599 CE MET A 106 11.158 5.314 2.126 1.00 3.11 C ATOM 0 H MET A 106 6.888 5.500 5.118 1.00 0.51 H new ATOM 0 HA MET A 106 8.511 6.204 2.906 1.00 0.55 H new ATOM 0 HB2 MET A 106 7.471 3.880 3.977 1.00 0.56 H new ATOM 0 HB3 MET A 106 6.586 4.035 2.473 1.00 0.56 H new ATOM 0 HG2 MET A 106 8.608 2.865 1.927 1.00 1.16 H new ATOM 0 HG3 MET A 106 8.795 4.489 1.297 1.00 1.16 H new ATOM 0 HE1 MET A 106 11.822 5.897 2.764 1.00 3.11 H new ATOM 0 HE2 MET A 106 11.743 4.816 1.353 1.00 3.11 H new ATOM 0 HE3 MET A 106 10.430 5.977 1.659 1.00 3.11 H new ATOM 1609 N VAL A 107 5.268 6.590 2.444 1.00 0.76 N ATOM 1610 CA VAL A 107 4.290 7.312 1.644 1.00 0.89 C ATOM 1611 C VAL A 107 4.587 8.812 1.600 1.00 1.14 C ATOM 1612 O VAL A 107 4.384 9.431 0.563 1.00 1.46 O ATOM 1613 CB VAL A 107 2.867 7.024 2.150 1.00 0.83 C ATOM 1614 CG1 VAL A 107 1.842 7.985 1.544 1.00 0.97 C ATOM 1615 CG2 VAL A 107 2.446 5.607 1.757 1.00 0.75 C ATOM 0 H VAL A 107 4.866 6.094 3.240 1.00 0.76 H new ATOM 0 HA VAL A 107 4.362 6.953 0.617 1.00 0.89 H new ATOM 0 HB VAL A 107 2.889 7.146 3.233 1.00 0.83 H new ATOM 0 HG11 VAL A 107 0.850 7.748 1.927 1.00 0.97 H new ATOM 0 HG12 VAL A 107 2.100 9.009 1.814 1.00 0.97 H new ATOM 0 HG13 VAL A 107 1.846 7.884 0.459 1.00 0.97 H new ATOM 0 HG21 VAL A 107 1.437 5.413 2.120 1.00 0.75 H new ATOM 0 HG22 VAL A 107 2.466 5.509 0.672 1.00 0.75 H new ATOM 0 HG23 VAL A 107 3.135 4.887 2.199 1.00 0.75 H new ATOM 1625 N HIS A 108 5.042 9.392 2.711 1.00 1.12 N ATOM 1626 CA HIS A 108 5.209 10.821 2.909 1.00 1.21 C ATOM 1627 C HIS A 108 6.277 11.361 1.953 1.00 1.38 C ATOM 1628 O HIS A 108 6.336 12.568 1.720 1.00 1.52 O ATOM 1629 CB HIS A 108 5.563 11.079 4.386 1.00 1.48 C ATOM 1630 CG HIS A 108 5.786 12.514 4.791 1.00 1.74 C ATOM 1631 ND1 HIS A 108 5.358 13.636 4.117 1.00 2.23 N ATOM 1632 CD2 HIS A 108 6.433 12.934 5.924 1.00 2.44 C ATOM 1633 CE1 HIS A 108 5.737 14.706 4.836 1.00 2.26 C ATOM 1634 NE2 HIS A 108 6.389 14.332 5.947 1.00 2.46 N ATOM 0 H HIS A 108 5.315 8.849 3.530 1.00 1.12 H new ATOM 0 HA HIS A 108 4.283 11.350 2.683 1.00 1.21 H new ATOM 0 HB2 HIS A 108 4.762 10.672 5.003 1.00 1.48 H new ATOM 0 HB3 HIS A 108 6.465 10.515 4.623 1.00 1.48 H new ATOM 0 HD2 HIS A 108 6.894 12.299 6.666 1.00 2.44 H new ATOM 0 HE1 HIS A 108 5.543 15.731 4.557 1.00 2.26 H new ATOM 0 HE2 HIS A 108 6.776 14.945 6.665 1.00 2.46 H new ATOM 1642 N SER A 109 7.123 10.458 1.444 1.00 1.47 N ATOM 1643 CA SER A 109 8.140 10.753 0.460 1.00 1.75 C ATOM 1644 C SER A 109 7.570 11.336 -0.841 1.00 2.24 C ATOM 1645 O SER A 109 8.427 11.721 -1.671 1.00 2.70 O ATOM 1646 CB SER A 109 8.920 9.473 0.134 1.00 1.72 C ATOM 1647 OG SER A 109 9.965 9.763 -0.779 1.00 2.21 O ATOM 1648 OXT SER A 109 6.335 11.304 -1.040 1.00 2.71 O ATOM 0 H SER A 109 7.108 9.477 1.721 1.00 1.47 H new ATOM 0 HA SER A 109 8.791 11.511 0.896 1.00 1.75 H new ATOM 0 HB2 SER A 109 9.332 9.046 1.048 1.00 1.72 H new ATOM 0 HB3 SER A 109 8.249 8.727 -0.293 1.00 1.72 H new ATOM 0 HG SER A 109 9.689 10.495 -1.370 1.00 2.21 H new