USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 429 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0529 USER MOD Single : A 3 GLN : amide:sc= -5.03! C(o=-5!,f=-14!) USER MOD Single : A 7 TYR OH : rot 101:sc= -5.55! USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= -2.16 (180deg=-2.49!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= -0.0519 (180deg=-0.29) USER MOD Single : A 25 TYR OH : rot 30:sc= -2! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -118:sc= -0.496 (180deg=-3.15!) USER MOD Single : A 42 HIS : no HD1:sc= -0.745 K(o=-0.74,f=-0.0019) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc=-0.000208 (180deg=-0.127) USER MOD Single : A 51 TYR OH : rot -64:sc= -0.173 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.176 16.263 6.444 1.00 8.06 N ATOM 2 CA GLY A 1 -21.400 15.335 5.299 1.00 7.57 C ATOM 3 C GLY A 1 -20.142 14.589 4.897 1.00 6.85 C ATOM 4 O GLY A 1 -19.829 14.482 3.711 1.00 7.15 O ATOM 0 H1 GLY A 1 -22.066 16.747 6.678 1.00 8.06 H new ATOM 0 H2 GLY A 1 -20.848 15.723 7.270 1.00 8.06 H new ATOM 0 H3 GLY A 1 -20.457 16.968 6.184 1.00 8.06 H new ATOM 0 HA2 GLY A 1 -22.175 14.616 5.565 1.00 7.57 H new ATOM 0 HA3 GLY A 1 -21.771 15.901 4.445 1.00 7.57 H new ATOM 10 N SER A 2 -19.417 14.070 5.886 1.00 6.18 N ATOM 11 CA SER A 2 -18.187 13.331 5.624 1.00 5.72 C ATOM 12 C SER A 2 -18.454 12.149 4.698 1.00 4.72 C ATOM 13 O SER A 2 -17.722 11.925 3.734 1.00 4.80 O ATOM 14 CB SER A 2 -17.577 12.837 6.937 1.00 6.23 C ATOM 15 OG SER A 2 -18.472 11.979 7.624 1.00 6.61 O ATOM 0 H SER A 2 -19.661 14.148 6.873 1.00 6.18 H new ATOM 0 HA SER A 2 -17.483 14.003 5.134 1.00 5.72 H new ATOM 0 HB2 SER A 2 -16.646 12.308 6.733 1.00 6.23 H new ATOM 0 HB3 SER A 2 -17.328 13.689 7.569 1.00 6.23 H new ATOM 0 HG SER A 2 -18.058 11.675 8.459 1.00 6.61 H new ATOM 21 N GLN A 3 -19.507 11.399 5.000 1.00 4.14 N ATOM 22 CA GLN A 3 -19.882 10.239 4.197 1.00 3.35 C ATOM 23 C GLN A 3 -20.301 10.675 2.795 1.00 2.59 C ATOM 24 O GLN A 3 -21.142 11.561 2.646 1.00 2.90 O ATOM 25 CB GLN A 3 -21.039 9.493 4.867 1.00 3.86 C ATOM 26 CG GLN A 3 -21.357 8.155 4.222 1.00 4.58 C ATOM 27 CD GLN A 3 -20.298 7.115 4.512 1.00 5.22 C ATOM 28 OE1 GLN A 3 -19.108 7.355 4.313 1.00 5.66 O ATOM 29 NE2 GLN A 3 -20.725 5.950 4.986 1.00 5.68 N ATOM 0 H GLN A 3 -20.119 11.573 5.797 1.00 4.14 H new ATOM 0 HA GLN A 3 -19.019 9.577 4.120 1.00 3.35 H new ATOM 0 HB2 GLN A 3 -20.796 9.332 5.917 1.00 3.86 H new ATOM 0 HB3 GLN A 3 -21.930 10.121 4.839 1.00 3.86 H new ATOM 0 HG2 GLN A 3 -22.322 7.799 4.584 1.00 4.58 H new ATOM 0 HG3 GLN A 3 -21.449 8.286 3.144 1.00 4.58 H new ATOM 0 HE21 GLN A 3 -21.722 5.795 5.136 1.00 5.68 H new ATOM 0 HE22 GLN A 3 -20.056 5.211 5.200 1.00 5.68 H new ATOM 38 N VAL A 4 -19.725 10.054 1.765 1.00 1.80 N ATOM 39 CA VAL A 4 -20.077 10.408 0.396 1.00 1.52 C ATOM 40 C VAL A 4 -20.714 9.228 -0.366 1.00 1.35 C ATOM 41 O VAL A 4 -21.901 8.946 -0.195 1.00 1.75 O ATOM 42 CB VAL A 4 -18.855 10.962 -0.373 1.00 1.48 C ATOM 43 CG1 VAL A 4 -19.263 11.422 -1.765 1.00 2.08 C ATOM 44 CG2 VAL A 4 -18.210 12.098 0.405 1.00 1.97 C ATOM 0 H VAL A 4 -19.025 9.317 1.852 1.00 1.80 H new ATOM 0 HA VAL A 4 -20.827 11.196 0.459 1.00 1.52 H new ATOM 0 HB VAL A 4 -18.122 10.163 -0.482 1.00 1.48 H new ATOM 0 HG11 VAL A 4 -18.390 11.809 -2.291 1.00 2.08 H new ATOM 0 HG12 VAL A 4 -19.677 10.580 -2.320 1.00 2.08 H new ATOM 0 HG13 VAL A 4 -20.014 12.207 -1.683 1.00 2.08 H new ATOM 0 HG21 VAL A 4 -17.351 12.477 -0.149 1.00 1.97 H new ATOM 0 HG22 VAL A 4 -18.934 12.900 0.545 1.00 1.97 H new ATOM 0 HG23 VAL A 4 -17.881 11.732 1.378 1.00 1.97 H new ATOM 54 N PHE A 5 -19.930 8.557 -1.222 1.00 1.32 N ATOM 55 CA PHE A 5 -20.417 7.450 -2.008 1.00 1.88 C ATOM 56 C PHE A 5 -21.049 6.397 -1.121 1.00 1.68 C ATOM 57 O PHE A 5 -21.161 6.571 0.092 1.00 1.78 O ATOM 58 CB PHE A 5 -19.273 6.848 -2.821 1.00 2.50 C ATOM 59 CG PHE A 5 -18.999 7.572 -4.111 1.00 2.99 C ATOM 60 CD1 PHE A 5 -18.909 8.955 -4.140 1.00 3.34 C ATOM 61 CD2 PHE A 5 -18.837 6.871 -5.296 1.00 3.37 C ATOM 62 CE1 PHE A 5 -18.662 9.625 -5.325 1.00 4.01 C ATOM 63 CE2 PHE A 5 -18.590 7.534 -6.483 1.00 3.96 C ATOM 64 CZ PHE A 5 -18.503 8.913 -6.497 1.00 4.27 C ATOM 0 H PHE A 5 -18.946 8.777 -1.378 1.00 1.32 H new ATOM 0 HA PHE A 5 -21.182 7.818 -2.692 1.00 1.88 H new ATOM 0 HB2 PHE A 5 -18.368 6.851 -2.214 1.00 2.50 H new ATOM 0 HB3 PHE A 5 -19.505 5.806 -3.042 1.00 2.50 H new ATOM 0 HD1 PHE A 5 -19.033 9.517 -3.226 1.00 3.34 H new ATOM 0 HD2 PHE A 5 -18.905 5.793 -5.291 1.00 3.37 H new ATOM 0 HE1 PHE A 5 -18.594 10.703 -5.333 1.00 4.01 H new ATOM 0 HE2 PHE A 5 -18.465 6.975 -7.399 1.00 3.96 H new ATOM 0 HZ PHE A 5 -18.311 9.433 -7.424 1.00 4.27 H new ATOM 74 N GLU A 6 -21.451 5.302 -1.735 1.00 1.60 N ATOM 75 CA GLU A 6 -22.062 4.210 -1.010 1.00 1.52 C ATOM 76 C GLU A 6 -20.990 3.342 -0.363 1.00 1.24 C ATOM 77 O GLU A 6 -21.121 2.924 0.787 1.00 1.24 O ATOM 78 CB GLU A 6 -22.919 3.398 -1.962 1.00 1.66 C ATOM 79 CG GLU A 6 -22.109 2.623 -2.979 1.00 2.10 C ATOM 80 CD GLU A 6 -22.974 1.944 -4.024 1.00 2.44 C ATOM 81 OE1 GLU A 6 -24.212 2.093 -3.957 1.00 2.75 O ATOM 82 OE2 GLU A 6 -22.412 1.265 -4.909 1.00 2.84 O ATOM 0 H GLU A 6 -21.364 5.146 -2.739 1.00 1.60 H new ATOM 0 HA GLU A 6 -22.695 4.605 -0.215 1.00 1.52 H new ATOM 0 HB2 GLU A 6 -23.530 2.702 -1.387 1.00 1.66 H new ATOM 0 HB3 GLU A 6 -23.603 4.066 -2.485 1.00 1.66 H new ATOM 0 HG2 GLU A 6 -21.412 3.300 -3.474 1.00 2.10 H new ATOM 0 HG3 GLU A 6 -21.511 1.871 -2.464 1.00 2.10 H new ATOM 89 N TYR A 7 -19.918 3.096 -1.108 1.00 1.11 N ATOM 90 CA TYR A 7 -18.804 2.302 -0.612 1.00 0.94 C ATOM 91 C TYR A 7 -19.178 0.843 -0.374 1.00 0.89 C ATOM 92 O TYR A 7 -18.891 0.281 0.683 1.00 1.24 O ATOM 93 CB TYR A 7 -18.240 2.925 0.654 1.00 1.04 C ATOM 94 CG TYR A 7 -17.036 3.788 0.375 1.00 0.98 C ATOM 95 CD1 TYR A 7 -15.783 3.236 0.170 1.00 0.85 C ATOM 96 CD2 TYR A 7 -17.162 5.165 0.331 1.00 1.26 C ATOM 97 CE1 TYR A 7 -14.687 4.037 -0.078 1.00 1.02 C ATOM 98 CE2 TYR A 7 -16.078 5.977 0.083 1.00 1.37 C ATOM 99 CZ TYR A 7 -14.806 5.346 -0.157 1.00 1.27 C ATOM 100 OH TYR A 7 -13.751 6.201 -0.356 1.00 1.49 O ATOM 0 H TYR A 7 -19.798 3.438 -2.062 1.00 1.11 H new ATOM 0 HA TYR A 7 -18.038 2.303 -1.388 1.00 0.94 H new ATOM 0 HB2 TYR A 7 -19.011 3.525 1.137 1.00 1.04 H new ATOM 0 HB3 TYR A 7 -17.965 2.136 1.354 1.00 1.04 H new ATOM 0 HD1 TYR A 7 -15.662 2.163 0.205 1.00 0.85 H new ATOM 0 HD2 TYR A 7 -18.131 5.613 0.495 1.00 1.26 H new ATOM 0 HE1 TYR A 7 -13.716 3.583 -0.209 1.00 1.02 H new ATOM 0 HE2 TYR A 7 -16.178 7.052 0.069 1.00 1.37 H new ATOM 0 HH TYR A 7 -13.724 6.473 -1.297 1.00 1.49 H new ATOM 110 N ALA A 8 -19.774 0.222 -1.385 1.00 0.77 N ATOM 111 CA ALA A 8 -20.136 -1.183 -1.314 1.00 0.72 C ATOM 112 C ALA A 8 -19.377 -1.929 -2.390 1.00 0.62 C ATOM 113 O ALA A 8 -19.885 -2.846 -3.037 1.00 0.69 O ATOM 114 CB ALA A 8 -21.638 -1.375 -1.465 1.00 0.89 C ATOM 0 H ALA A 8 -20.017 0.674 -2.266 1.00 0.77 H new ATOM 0 HA ALA A 8 -19.867 -1.580 -0.335 1.00 0.72 H new ATOM 0 HB1 ALA A 8 -21.877 -2.437 -1.407 1.00 0.89 H new ATOM 0 HB2 ALA A 8 -22.155 -0.843 -0.666 1.00 0.89 H new ATOM 0 HB3 ALA A 8 -21.960 -0.983 -2.430 1.00 0.89 H new ATOM 120 N GLU A 9 -18.140 -1.499 -2.549 1.00 0.57 N ATOM 121 CA GLU A 9 -17.206 -2.041 -3.503 1.00 0.59 C ATOM 122 C GLU A 9 -17.230 -3.547 -3.503 1.00 0.51 C ATOM 123 O GLU A 9 -17.489 -4.192 -4.518 1.00 0.56 O ATOM 124 CB GLU A 9 -15.786 -1.623 -3.118 1.00 0.71 C ATOM 125 CG GLU A 9 -15.691 -0.736 -1.906 1.00 0.64 C ATOM 126 CD GLU A 9 -16.010 0.721 -2.216 1.00 0.75 C ATOM 127 OE1 GLU A 9 -17.068 0.997 -2.805 1.00 1.28 O ATOM 128 OE2 GLU A 9 -15.178 1.588 -1.877 1.00 1.19 O ATOM 0 H GLU A 9 -17.749 -0.736 -1.996 1.00 0.57 H new ATOM 0 HA GLU A 9 -17.490 -1.664 -4.486 1.00 0.59 H new ATOM 0 HB2 GLU A 9 -15.195 -2.521 -2.940 1.00 0.71 H new ATOM 0 HB3 GLU A 9 -15.333 -1.106 -3.964 1.00 0.71 H new ATOM 0 HG2 GLU A 9 -16.377 -1.099 -1.141 1.00 0.64 H new ATOM 0 HG3 GLU A 9 -14.686 -0.803 -1.490 1.00 0.64 H new ATOM 135 N VAL A 10 -16.881 -4.076 -2.339 1.00 0.43 N ATOM 136 CA VAL A 10 -16.778 -5.519 -2.126 1.00 0.42 C ATOM 137 C VAL A 10 -15.936 -6.118 -3.232 1.00 0.46 C ATOM 138 O VAL A 10 -16.257 -7.153 -3.812 1.00 0.53 O ATOM 139 CB VAL A 10 -18.159 -6.160 -2.059 1.00 0.52 C ATOM 140 CG1 VAL A 10 -18.876 -6.142 -3.403 1.00 0.94 C ATOM 141 CG2 VAL A 10 -18.080 -7.572 -1.495 1.00 1.06 C ATOM 0 H VAL A 10 -16.660 -3.520 -1.513 1.00 0.43 H new ATOM 0 HA VAL A 10 -16.295 -5.715 -1.169 1.00 0.42 H new ATOM 0 HB VAL A 10 -18.756 -5.554 -1.378 1.00 0.52 H new ATOM 0 HG11 VAL A 10 -19.855 -6.611 -3.300 1.00 0.94 H new ATOM 0 HG12 VAL A 10 -19.000 -5.111 -3.735 1.00 0.94 H new ATOM 0 HG13 VAL A 10 -18.287 -6.691 -4.137 1.00 0.94 H new ATOM 0 HG21 VAL A 10 -19.079 -8.006 -1.458 1.00 1.06 H new ATOM 0 HG22 VAL A 10 -17.442 -8.184 -2.133 1.00 1.06 H new ATOM 0 HG23 VAL A 10 -17.662 -7.539 -0.489 1.00 1.06 H new ATOM 151 N ASP A 11 -14.861 -5.396 -3.511 1.00 0.45 N ATOM 152 CA ASP A 11 -13.896 -5.727 -4.571 1.00 0.53 C ATOM 153 C ASP A 11 -13.133 -4.472 -5.044 1.00 0.54 C ATOM 154 O ASP A 11 -12.042 -4.580 -5.603 1.00 0.68 O ATOM 155 CB ASP A 11 -14.594 -6.378 -5.780 1.00 0.64 C ATOM 156 CG ASP A 11 -13.662 -6.572 -6.963 1.00 1.20 C ATOM 157 OD1 ASP A 11 -12.660 -7.305 -6.815 1.00 1.69 O ATOM 158 OD2 ASP A 11 -13.934 -5.995 -8.036 1.00 1.94 O ATOM 0 H ASP A 11 -14.622 -4.545 -3.002 1.00 0.45 H new ATOM 0 HA ASP A 11 -13.188 -6.437 -4.143 1.00 0.53 H new ATOM 0 HB2 ASP A 11 -15.001 -7.344 -5.482 1.00 0.64 H new ATOM 0 HB3 ASP A 11 -15.437 -5.757 -6.085 1.00 0.64 H new ATOM 163 N GLU A 12 -13.739 -3.286 -4.865 1.00 0.49 N ATOM 164 CA GLU A 12 -13.137 -2.019 -5.333 1.00 0.54 C ATOM 165 C GLU A 12 -12.816 -1.056 -4.191 1.00 0.50 C ATOM 166 O GLU A 12 -13.487 -0.048 -4.014 1.00 0.60 O ATOM 167 CB GLU A 12 -14.095 -1.318 -6.278 1.00 0.64 C ATOM 168 CG GLU A 12 -14.771 -2.248 -7.270 1.00 1.27 C ATOM 169 CD GLU A 12 -15.703 -1.516 -8.217 1.00 1.74 C ATOM 170 OE1 GLU A 12 -15.225 -0.620 -8.943 1.00 2.23 O ATOM 171 OE2 GLU A 12 -16.909 -1.840 -8.232 1.00 2.26 O ATOM 0 H GLU A 12 -14.641 -3.175 -4.402 1.00 0.49 H new ATOM 0 HA GLU A 12 -12.204 -2.284 -5.830 1.00 0.54 H new ATOM 0 HB2 GLU A 12 -14.860 -0.809 -5.692 1.00 0.64 H new ATOM 0 HB3 GLU A 12 -13.551 -0.550 -6.828 1.00 0.64 H new ATOM 0 HG2 GLU A 12 -14.010 -2.771 -7.848 1.00 1.27 H new ATOM 0 HG3 GLU A 12 -15.334 -3.006 -6.726 1.00 1.27 H new ATOM 178 N ILE A 13 -11.778 -1.389 -3.449 1.00 0.42 N ATOM 179 CA ILE A 13 -11.287 -0.606 -2.295 1.00 0.38 C ATOM 180 C ILE A 13 -12.349 0.221 -1.576 1.00 0.39 C ATOM 181 O ILE A 13 -12.929 1.142 -2.135 1.00 0.52 O ATOM 182 CB ILE A 13 -10.186 0.388 -2.676 1.00 0.48 C ATOM 183 CG1 ILE A 13 -9.259 -0.169 -3.768 1.00 1.00 C ATOM 184 CG2 ILE A 13 -9.408 0.777 -1.437 1.00 0.95 C ATOM 185 CD1 ILE A 13 -9.917 -0.327 -5.124 1.00 1.56 C ATOM 0 H ILE A 13 -11.228 -2.230 -3.623 1.00 0.42 H new ATOM 0 HA ILE A 13 -10.920 -1.390 -1.633 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.655 1.277 -3.096 1.00 0.48 H new ATOM 0 HG12 ILE A 13 -8.398 0.492 -3.870 1.00 1.00 H new ATOM 0 HG13 ILE A 13 -8.880 -1.139 -3.446 1.00 1.00 H new ATOM 0 HG21 ILE A 13 -8.624 1.485 -1.707 1.00 0.95 H new ATOM 0 HG22 ILE A 13 -10.081 1.239 -0.715 1.00 0.95 H new ATOM 0 HG23 ILE A 13 -8.958 -0.112 -0.996 1.00 0.95 H new ATOM 0 HD11 ILE A 13 -9.193 -0.725 -5.835 1.00 1.56 H new ATOM 0 HD12 ILE A 13 -10.760 -1.013 -5.042 1.00 1.56 H new ATOM 0 HD13 ILE A 13 -10.271 0.643 -5.472 1.00 1.56 H new ATOM 197 N VAL A 14 -12.504 -0.053 -0.292 1.00 0.33 N ATOM 198 CA VAL A 14 -13.402 0.684 0.560 1.00 0.37 C ATOM 199 C VAL A 14 -12.572 1.633 1.414 1.00 0.37 C ATOM 200 O VAL A 14 -13.103 2.591 1.978 1.00 0.48 O ATOM 201 CB VAL A 14 -14.266 -0.285 1.448 1.00 0.38 C ATOM 202 CG1 VAL A 14 -14.166 0.014 2.947 1.00 0.44 C ATOM 203 CG2 VAL A 14 -15.726 -0.262 1.035 1.00 0.51 C ATOM 0 H VAL A 14 -12.002 -0.801 0.186 1.00 0.33 H new ATOM 0 HA VAL A 14 -14.104 1.256 -0.046 1.00 0.37 H new ATOM 0 HB VAL A 14 -13.849 -1.277 1.278 1.00 0.38 H new ATOM 0 HG11 VAL A 14 -14.786 -0.691 3.501 1.00 0.44 H new ATOM 0 HG12 VAL A 14 -13.129 -0.084 3.269 1.00 0.44 H new ATOM 0 HG13 VAL A 14 -14.512 1.030 3.139 1.00 0.44 H new ATOM 0 HG21 VAL A 14 -16.294 -0.943 1.669 1.00 0.51 H new ATOM 0 HG22 VAL A 14 -16.119 0.749 1.144 1.00 0.51 H new ATOM 0 HG23 VAL A 14 -15.815 -0.576 -0.005 1.00 0.51 H new ATOM 213 N GLU A 15 -11.266 1.352 1.539 1.00 0.28 N ATOM 214 CA GLU A 15 -10.438 2.211 2.373 1.00 0.30 C ATOM 215 C GLU A 15 -8.953 2.182 1.984 1.00 0.31 C ATOM 216 O GLU A 15 -8.509 1.304 1.246 1.00 0.56 O ATOM 217 CB GLU A 15 -10.611 1.812 3.836 1.00 0.33 C ATOM 218 CG GLU A 15 -9.776 2.651 4.787 1.00 0.77 C ATOM 219 CD GLU A 15 -10.048 2.329 6.242 1.00 1.01 C ATOM 220 OE1 GLU A 15 -10.884 1.441 6.508 1.00 1.34 O ATOM 221 OE2 GLU A 15 -9.423 2.967 7.117 1.00 1.44 O ATOM 0 H GLU A 15 -10.785 0.571 1.092 1.00 0.28 H new ATOM 0 HA GLU A 15 -10.774 3.236 2.217 1.00 0.30 H new ATOM 0 HB2 GLU A 15 -11.662 1.903 4.109 1.00 0.33 H new ATOM 0 HB3 GLU A 15 -10.341 0.763 3.954 1.00 0.33 H new ATOM 0 HG2 GLU A 15 -8.719 2.490 4.575 1.00 0.77 H new ATOM 0 HG3 GLU A 15 -9.980 3.707 4.608 1.00 0.77 H new ATOM 228 N LYS A 16 -8.194 3.173 2.484 1.00 0.26 N ATOM 229 CA LYS A 16 -6.761 3.284 2.187 1.00 0.29 C ATOM 230 C LYS A 16 -6.016 4.066 3.266 1.00 0.47 C ATOM 231 O LYS A 16 -6.632 4.620 4.175 1.00 0.82 O ATOM 232 CB LYS A 16 -6.567 3.993 0.859 1.00 0.45 C ATOM 233 CG LYS A 16 -6.835 5.496 0.888 1.00 0.89 C ATOM 234 CD LYS A 16 -8.322 5.816 0.923 1.00 1.44 C ATOM 235 CE LYS A 16 -9.012 5.440 -0.383 1.00 2.23 C ATOM 236 NZ LYS A 16 -9.656 4.101 -0.317 1.00 3.04 N ATOM 0 H LYS A 16 -8.552 3.907 3.095 1.00 0.26 H new ATOM 0 HA LYS A 16 -6.357 2.272 2.149 1.00 0.29 H new ATOM 0 HB2 LYS A 16 -5.544 3.827 0.521 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -7.225 3.536 0.120 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -6.351 5.932 1.762 1.00 0.89 H new ATOM 0 HG3 LYS A 16 -6.386 5.960 0.010 1.00 0.89 H new ATOM 0 HD2 LYS A 16 -8.790 5.280 1.749 1.00 1.44 H new ATOM 0 HD3 LYS A 16 -8.461 6.880 1.114 1.00 1.44 H new ATOM 0 HE2 LYS A 16 -9.765 6.191 -0.623 1.00 2.23 H new ATOM 0 HE3 LYS A 16 -8.282 5.450 -1.193 1.00 2.23 H new ATOM 0 HZ1 LYS A 16 -10.316 3.994 -1.114 1.00 3.04 H new ATOM 0 HZ2 LYS A 16 -8.926 3.362 -0.370 1.00 3.04 H new ATOM 0 HZ3 LYS A 16 -10.177 4.010 0.579 1.00 3.04 H new ATOM 250 N ARG A 17 -4.682 4.136 3.138 1.00 0.44 N ATOM 251 CA ARG A 17 -3.855 4.886 4.078 1.00 0.63 C ATOM 252 C ARG A 17 -2.380 4.556 3.877 1.00 1.08 C ATOM 253 O ARG A 17 -1.975 3.402 4.001 1.00 1.89 O ATOM 254 CB ARG A 17 -4.252 4.596 5.532 1.00 1.24 C ATOM 255 CG ARG A 17 -4.296 3.114 5.879 1.00 2.28 C ATOM 256 CD ARG A 17 -4.690 2.895 7.333 1.00 3.13 C ATOM 257 NE ARG A 17 -6.017 3.428 7.628 1.00 3.73 N ATOM 258 CZ ARG A 17 -6.565 3.410 8.836 1.00 4.40 C ATOM 259 NH1 ARG A 17 -5.899 2.900 9.863 1.00 4.67 N ATOM 260 NH2 ARG A 17 -7.782 3.906 9.015 1.00 5.19 N ATOM 0 H ARG A 17 -4.159 3.680 2.390 1.00 0.44 H new ATOM 0 HA ARG A 17 -4.019 5.945 3.880 1.00 0.63 H new ATOM 0 HB2 ARG A 17 -3.546 5.093 6.197 1.00 1.24 H new ATOM 0 HB3 ARG A 17 -5.232 5.033 5.724 1.00 1.24 H new ATOM 0 HG2 ARG A 17 -5.008 2.607 5.227 1.00 2.28 H new ATOM 0 HG3 ARG A 17 -3.320 2.666 5.694 1.00 2.28 H new ATOM 0 HD2 ARG A 17 -4.670 1.828 7.557 1.00 3.13 H new ATOM 0 HD3 ARG A 17 -3.956 3.371 7.983 1.00 3.13 H new ATOM 0 HE ARG A 17 -6.553 3.837 6.862 1.00 3.73 H new ATOM 0 HH11 ARG A 17 -4.962 2.520 9.725 1.00 4.67 H new ATOM 0 HH12 ARG A 17 -6.323 2.888 10.791 1.00 4.67 H new ATOM 0 HH21 ARG A 17 -8.294 4.300 8.225 1.00 5.19 H new ATOM 0 HH22 ARG A 17 -8.206 3.894 9.942 1.00 5.19 H new ATOM 274 N GLY A 18 -1.573 5.564 3.561 1.00 1.31 N ATOM 275 CA GLY A 18 -0.161 5.318 3.350 1.00 2.00 C ATOM 276 C GLY A 18 0.628 6.571 3.041 1.00 2.22 C ATOM 277 O GLY A 18 0.105 7.514 2.449 1.00 2.45 O ATOM 0 H GLY A 18 -1.868 6.534 3.449 1.00 1.31 H new ATOM 0 HA2 GLY A 18 0.255 4.846 4.240 1.00 2.00 H new ATOM 0 HA3 GLY A 18 -0.042 4.611 2.529 1.00 2.00 H new ATOM 281 N LYS A 19 1.896 6.575 3.438 1.00 2.48 N ATOM 282 CA LYS A 19 2.771 7.714 3.199 1.00 2.97 C ATOM 283 C LYS A 19 3.174 7.786 1.724 1.00 2.66 C ATOM 284 O LYS A 19 2.529 7.180 0.869 1.00 2.54 O ATOM 285 CB LYS A 19 4.008 7.603 4.092 1.00 3.46 C ATOM 286 CG LYS A 19 3.664 7.443 5.563 1.00 4.17 C ATOM 287 CD LYS A 19 2.789 8.586 6.056 1.00 4.98 C ATOM 288 CE LYS A 19 3.471 9.929 5.883 1.00 5.96 C ATOM 289 NZ LYS A 19 2.597 11.046 6.330 1.00 6.54 N ATOM 0 H LYS A 19 2.341 5.799 3.928 1.00 2.48 H new ATOM 0 HA LYS A 19 2.236 8.632 3.444 1.00 2.97 H new ATOM 0 HB2 LYS A 19 4.607 6.751 3.770 1.00 3.46 H new ATOM 0 HB3 LYS A 19 4.624 8.493 3.963 1.00 3.46 H new ATOM 0 HG2 LYS A 19 3.148 6.495 5.717 1.00 4.17 H new ATOM 0 HG3 LYS A 19 4.581 7.405 6.151 1.00 4.17 H new ATOM 0 HD2 LYS A 19 1.846 8.584 5.510 1.00 4.98 H new ATOM 0 HD3 LYS A 19 2.549 8.433 7.108 1.00 4.98 H new ATOM 0 HE2 LYS A 19 4.400 9.942 6.453 1.00 5.96 H new ATOM 0 HE3 LYS A 19 3.737 10.071 4.836 1.00 5.96 H new ATOM 0 HZ1 LYS A 19 3.094 11.950 6.198 1.00 6.54 H new ATOM 0 HZ2 LYS A 19 1.721 11.047 5.769 1.00 6.54 H new ATOM 0 HZ3 LYS A 19 2.364 10.923 7.336 1.00 6.54 H new ATOM 303 N GLY A 20 4.240 8.528 1.433 1.00 2.95 N ATOM 304 CA GLY A 20 4.711 8.665 0.065 1.00 3.08 C ATOM 305 C GLY A 20 5.307 7.384 -0.494 1.00 2.93 C ATOM 306 O GLY A 20 5.324 7.183 -1.708 1.00 3.38 O ATOM 0 H GLY A 20 4.788 9.039 2.125 1.00 2.95 H new ATOM 0 HA2 GLY A 20 3.881 8.979 -0.568 1.00 3.08 H new ATOM 0 HA3 GLY A 20 5.460 9.455 0.023 1.00 3.08 H new ATOM 310 N LYS A 21 5.817 6.526 0.381 1.00 2.71 N ATOM 311 CA LYS A 21 6.434 5.277 -0.058 1.00 2.99 C ATOM 312 C LYS A 21 5.893 4.081 0.719 1.00 2.67 C ATOM 313 O LYS A 21 6.657 3.229 1.170 1.00 3.19 O ATOM 314 CB LYS A 21 7.955 5.367 0.102 1.00 3.64 C ATOM 315 CG LYS A 21 8.719 4.224 -0.552 1.00 4.42 C ATOM 316 CD LYS A 21 10.217 4.349 -0.317 1.00 5.23 C ATOM 317 CE LYS A 21 10.985 3.223 -0.995 1.00 5.87 C ATOM 318 NZ LYS A 21 10.786 3.221 -2.472 1.00 6.40 N ATOM 0 H LYS A 21 5.817 6.669 1.391 1.00 2.71 H new ATOM 0 HA LYS A 21 6.186 5.128 -1.109 1.00 2.99 H new ATOM 0 HB2 LYS A 21 8.299 6.310 -0.324 1.00 3.64 H new ATOM 0 HB3 LYS A 21 8.197 5.390 1.165 1.00 3.64 H new ATOM 0 HG2 LYS A 21 8.365 3.273 -0.153 1.00 4.42 H new ATOM 0 HG3 LYS A 21 8.517 4.216 -1.623 1.00 4.42 H new ATOM 0 HD2 LYS A 21 10.567 5.309 -0.696 1.00 5.23 H new ATOM 0 HD3 LYS A 21 10.421 4.336 0.754 1.00 5.23 H new ATOM 0 HE2 LYS A 21 12.047 3.324 -0.773 1.00 5.87 H new ATOM 0 HE3 LYS A 21 10.663 2.266 -0.585 1.00 5.87 H new ATOM 0 HZ1 LYS A 21 11.496 2.605 -2.917 1.00 6.40 H new ATOM 0 HZ2 LYS A 21 9.833 2.867 -2.693 1.00 6.40 H new ATOM 0 HZ3 LYS A 21 10.889 4.189 -2.838 1.00 6.40 H new ATOM 332 N ASP A 22 4.571 4.020 0.856 1.00 2.05 N ATOM 333 CA ASP A 22 3.912 2.927 1.561 1.00 1.82 C ATOM 334 C ASP A 22 2.439 3.230 1.750 1.00 1.49 C ATOM 335 O ASP A 22 2.066 4.156 2.468 1.00 1.91 O ATOM 336 CB ASP A 22 4.574 2.664 2.914 1.00 2.35 C ATOM 337 CG ASP A 22 3.833 1.622 3.728 1.00 2.77 C ATOM 338 OD1 ASP A 22 2.646 1.846 4.040 1.00 3.28 O ATOM 339 OD2 ASP A 22 4.443 0.582 4.056 1.00 3.13 O ATOM 0 H ASP A 22 3.931 4.722 0.484 1.00 2.05 H new ATOM 0 HA ASP A 22 4.013 2.028 0.953 1.00 1.82 H new ATOM 0 HB2 ASP A 22 5.601 2.334 2.755 1.00 2.35 H new ATOM 0 HB3 ASP A 22 4.622 3.595 3.479 1.00 2.35 H new ATOM 344 N VAL A 23 1.621 2.436 1.082 1.00 0.98 N ATOM 345 CA VAL A 23 0.171 2.578 1.122 1.00 0.77 C ATOM 346 C VAL A 23 -0.479 1.300 0.622 1.00 0.57 C ATOM 347 O VAL A 23 0.202 0.388 0.153 1.00 0.70 O ATOM 348 CB VAL A 23 -0.313 3.716 0.204 1.00 0.90 C ATOM 349 CG1 VAL A 23 -1.617 4.303 0.719 1.00 1.50 C ATOM 350 CG2 VAL A 23 0.736 4.806 0.025 1.00 1.54 C ATOM 0 H VAL A 23 1.943 1.669 0.492 1.00 0.98 H new ATOM 0 HA VAL A 23 -0.103 2.795 2.155 1.00 0.77 H new ATOM 0 HB VAL A 23 -0.487 3.279 -0.779 1.00 0.90 H new ATOM 0 HG11 VAL A 23 -1.942 5.105 0.056 1.00 1.50 H new ATOM 0 HG12 VAL A 23 -2.380 3.525 0.748 1.00 1.50 H new ATOM 0 HG13 VAL A 23 -1.466 4.700 1.723 1.00 1.50 H new ATOM 0 HG21 VAL A 23 0.344 5.584 -0.631 1.00 1.54 H new ATOM 0 HG22 VAL A 23 0.981 5.238 0.995 1.00 1.54 H new ATOM 0 HG23 VAL A 23 1.635 4.377 -0.418 1.00 1.54 H new ATOM 360 N GLU A 24 -1.796 1.245 0.698 1.00 0.53 N ATOM 361 CA GLU A 24 -2.529 0.097 0.227 1.00 0.45 C ATOM 362 C GLU A 24 -4.034 0.327 0.248 1.00 0.44 C ATOM 363 O GLU A 24 -4.583 1.054 1.076 1.00 0.47 O ATOM 364 CB GLU A 24 -2.148 -1.180 0.993 1.00 0.66 C ATOM 365 CG GLU A 24 -1.376 -0.937 2.284 1.00 1.82 C ATOM 366 CD GLU A 24 -1.266 -2.172 3.155 1.00 2.49 C ATOM 367 OE1 GLU A 24 -2.314 -2.663 3.628 1.00 2.95 O ATOM 368 OE2 GLU A 24 -0.134 -2.652 3.365 1.00 3.03 O ATOM 0 H GLU A 24 -2.377 1.989 1.084 1.00 0.53 H new ATOM 0 HA GLU A 24 -2.241 -0.048 -0.814 1.00 0.45 H new ATOM 0 HB2 GLU A 24 -3.058 -1.733 1.227 1.00 0.66 H new ATOM 0 HB3 GLU A 24 -1.549 -1.815 0.340 1.00 0.66 H new ATOM 0 HG2 GLU A 24 -0.375 -0.582 2.040 1.00 1.82 H new ATOM 0 HG3 GLU A 24 -1.866 -0.144 2.849 1.00 1.82 H new ATOM 375 N TYR A 25 -4.657 -0.293 -0.747 1.00 0.44 N ATOM 376 CA TYR A 25 -6.078 -0.190 -0.978 1.00 0.46 C ATOM 377 C TYR A 25 -6.718 -1.544 -1.098 1.00 0.50 C ATOM 378 O TYR A 25 -6.285 -2.370 -1.890 1.00 0.76 O ATOM 379 CB TYR A 25 -6.281 0.619 -2.257 1.00 0.46 C ATOM 380 CG TYR A 25 -5.649 1.956 -2.127 1.00 0.41 C ATOM 381 CD1 TYR A 25 -4.282 2.071 -2.021 1.00 0.42 C ATOM 382 CD2 TYR A 25 -6.417 3.083 -2.031 1.00 0.48 C ATOM 383 CE1 TYR A 25 -3.685 3.273 -1.815 1.00 0.46 C ATOM 384 CE2 TYR A 25 -5.827 4.314 -1.842 1.00 0.56 C ATOM 385 CZ TYR A 25 -4.455 4.403 -1.731 1.00 0.49 C ATOM 386 OH TYR A 25 -3.856 5.617 -1.508 1.00 0.67 O ATOM 0 H TYR A 25 -4.175 -0.888 -1.421 1.00 0.44 H new ATOM 0 HA TYR A 25 -6.554 0.305 -0.131 1.00 0.46 H new ATOM 0 HB2 TYR A 25 -5.850 0.086 -3.105 1.00 0.46 H new ATOM 0 HB3 TYR A 25 -7.346 0.731 -2.459 1.00 0.46 H new ATOM 0 HD1 TYR A 25 -3.670 1.185 -2.104 1.00 0.42 H new ATOM 0 HD2 TYR A 25 -7.492 3.008 -2.104 1.00 0.48 H new ATOM 0 HE1 TYR A 25 -2.611 3.338 -1.718 1.00 0.46 H new ATOM 0 HE2 TYR A 25 -6.436 5.204 -1.781 1.00 0.56 H new ATOM 0 HH TYR A 25 -2.954 5.612 -1.892 1.00 0.67 H new ATOM 396 N LEU A 26 -7.746 -1.767 -0.272 1.00 0.29 N ATOM 397 CA LEU A 26 -8.474 -3.030 -0.230 1.00 0.30 C ATOM 398 C LEU A 26 -9.176 -3.192 1.113 1.00 0.25 C ATOM 399 O LEU A 26 -8.656 -3.832 1.999 1.00 0.35 O ATOM 400 CB LEU A 26 -7.514 -4.192 -0.440 1.00 0.43 C ATOM 401 CG LEU A 26 -7.409 -4.756 -1.856 1.00 0.86 C ATOM 402 CD1 LEU A 26 -5.975 -5.171 -2.145 1.00 1.45 C ATOM 403 CD2 LEU A 26 -8.333 -5.947 -2.024 1.00 1.65 C ATOM 0 H LEU A 26 -8.094 -1.071 0.387 1.00 0.29 H new ATOM 0 HA LEU A 26 -9.219 -3.026 -1.025 1.00 0.30 H new ATOM 0 HB2 LEU A 26 -6.520 -3.871 -0.128 1.00 0.43 H new ATOM 0 HB3 LEU A 26 -7.811 -5.002 0.226 1.00 0.43 H new ATOM 0 HG LEU A 26 -7.708 -3.980 -2.561 1.00 0.86 H new ATOM 0 HD11 LEU A 26 -5.909 -5.572 -3.156 1.00 1.45 H new ATOM 0 HD12 LEU A 26 -5.320 -4.304 -2.055 1.00 1.45 H new ATOM 0 HD13 LEU A 26 -5.666 -5.935 -1.431 1.00 1.45 H new ATOM 0 HD21 LEU A 26 -8.245 -6.336 -3.039 1.00 1.65 H new ATOM 0 HD22 LEU A 26 -8.057 -6.725 -1.312 1.00 1.65 H new ATOM 0 HD23 LEU A 26 -9.362 -5.638 -1.842 1.00 1.65 H new ATOM 415 N VAL A 27 -10.352 -2.622 1.278 1.00 0.22 N ATOM 416 CA VAL A 27 -11.056 -2.774 2.542 1.00 0.23 C ATOM 417 C VAL A 27 -12.536 -2.980 2.284 1.00 0.22 C ATOM 418 O VAL A 27 -13.401 -2.492 3.006 1.00 0.33 O ATOM 419 CB VAL A 27 -10.814 -1.579 3.487 1.00 0.30 C ATOM 420 CG1 VAL A 27 -11.619 -1.717 4.772 1.00 0.39 C ATOM 421 CG2 VAL A 27 -9.336 -1.455 3.818 1.00 0.41 C ATOM 0 H VAL A 27 -10.834 -2.062 0.575 1.00 0.22 H new ATOM 0 HA VAL A 27 -10.659 -3.655 3.047 1.00 0.23 H new ATOM 0 HB VAL A 27 -11.144 -0.678 2.970 1.00 0.30 H new ATOM 0 HG11 VAL A 27 -11.426 -0.859 5.416 1.00 0.39 H new ATOM 0 HG12 VAL A 27 -12.682 -1.760 4.533 1.00 0.39 H new ATOM 0 HG13 VAL A 27 -11.326 -2.631 5.288 1.00 0.39 H new ATOM 0 HG21 VAL A 27 -9.183 -0.607 4.486 1.00 0.41 H new ATOM 0 HG22 VAL A 27 -8.995 -2.368 4.306 1.00 0.41 H new ATOM 0 HG23 VAL A 27 -8.769 -1.301 2.900 1.00 0.41 H new ATOM 431 N ARG A 28 -12.808 -3.663 1.189 1.00 0.17 N ATOM 432 CA ARG A 28 -14.172 -3.878 0.737 1.00 0.23 C ATOM 433 C ARG A 28 -14.629 -5.318 0.525 1.00 0.29 C ATOM 434 O ARG A 28 -15.664 -5.745 1.036 1.00 0.51 O ATOM 435 CB ARG A 28 -14.345 -3.148 -0.587 1.00 0.30 C ATOM 436 CG ARG A 28 -13.067 -2.814 -1.402 1.00 0.32 C ATOM 437 CD ARG A 28 -12.193 -4.035 -1.752 1.00 0.44 C ATOM 438 NE ARG A 28 -10.969 -3.737 -2.484 1.00 0.66 N ATOM 439 CZ ARG A 28 -10.438 -4.530 -3.411 1.00 0.88 C ATOM 440 NH1 ARG A 28 -10.929 -5.740 -3.617 1.00 0.60 N ATOM 441 NH2 ARG A 28 -9.369 -4.137 -4.090 1.00 1.56 N ATOM 0 H ARG A 28 -12.097 -4.082 0.590 1.00 0.17 H new ATOM 0 HA ARG A 28 -14.789 -3.507 1.556 1.00 0.23 H new ATOM 0 HB2 ARG A 28 -14.997 -3.751 -1.219 1.00 0.30 H new ATOM 0 HB3 ARG A 28 -14.869 -2.213 -0.388 1.00 0.30 H new ATOM 0 HG2 ARG A 28 -13.361 -2.317 -2.326 1.00 0.32 H new ATOM 0 HG3 ARG A 28 -12.466 -2.103 -0.835 1.00 0.32 H new ATOM 0 HD2 ARG A 28 -11.928 -4.548 -0.827 1.00 0.44 H new ATOM 0 HD3 ARG A 28 -12.789 -4.730 -2.343 1.00 0.44 H new ATOM 0 HE ARG A 28 -10.488 -2.863 -2.272 1.00 0.66 H new ATOM 0 HH11 ARG A 28 -11.720 -6.071 -3.064 1.00 0.60 H new ATOM 0 HH12 ARG A 28 -10.517 -6.343 -4.329 1.00 0.60 H new ATOM 0 HH21 ARG A 28 -8.952 -3.225 -3.902 1.00 1.56 H new ATOM 0 HH22 ARG A 28 -8.963 -4.746 -4.800 1.00 1.56 H new ATOM 455 N TRP A 29 -13.875 -6.020 -0.281 1.00 0.30 N ATOM 456 CA TRP A 29 -14.159 -7.358 -0.662 1.00 0.36 C ATOM 457 C TRP A 29 -14.525 -8.263 0.523 1.00 0.37 C ATOM 458 O TRP A 29 -15.698 -8.433 0.850 1.00 0.52 O ATOM 459 CB TRP A 29 -12.987 -7.886 -1.543 1.00 0.44 C ATOM 460 CG TRP A 29 -11.555 -7.841 -0.989 1.00 0.43 C ATOM 461 CD1 TRP A 29 -10.475 -8.463 -1.556 1.00 0.58 C ATOM 462 CD2 TRP A 29 -11.029 -7.164 0.185 1.00 0.37 C ATOM 463 NE1 TRP A 29 -9.341 -8.248 -0.809 1.00 0.60 N ATOM 464 CE2 TRP A 29 -9.646 -7.456 0.257 1.00 0.45 C ATOM 465 CE3 TRP A 29 -11.579 -6.359 1.185 1.00 0.42 C ATOM 466 CZ2 TRP A 29 -8.826 -6.969 1.282 1.00 0.45 C ATOM 467 CZ3 TRP A 29 -10.777 -5.890 2.185 1.00 0.47 C ATOM 468 CH2 TRP A 29 -9.420 -6.194 2.236 1.00 0.44 C ATOM 0 H TRP A 29 -13.020 -5.653 -0.698 1.00 0.30 H new ATOM 0 HA TRP A 29 -15.066 -7.376 -1.266 1.00 0.36 H new ATOM 0 HB2 TRP A 29 -13.208 -8.923 -1.797 1.00 0.44 H new ATOM 0 HB3 TRP A 29 -12.996 -7.321 -2.475 1.00 0.44 H new ATOM 0 HD1 TRP A 29 -10.509 -9.043 -2.466 1.00 0.58 H new ATOM 0 HE1 TRP A 29 -8.416 -8.623 -1.020 1.00 0.60 H new ATOM 0 HE3 TRP A 29 -12.630 -6.110 1.167 1.00 0.42 H new ATOM 0 HZ2 TRP A 29 -7.771 -7.196 1.316 1.00 0.45 H new ATOM 0 HZ3 TRP A 29 -11.206 -5.267 2.956 1.00 0.47 H new ATOM 0 HH2 TRP A 29 -8.823 -5.808 3.049 1.00 0.44 H new ATOM 479 N LYS A 30 -13.523 -8.836 1.139 1.00 0.35 N ATOM 480 CA LYS A 30 -13.706 -9.725 2.267 1.00 0.43 C ATOM 481 C LYS A 30 -13.813 -8.902 3.547 1.00 0.45 C ATOM 482 O LYS A 30 -14.874 -8.349 3.846 1.00 0.84 O ATOM 483 CB LYS A 30 -12.568 -10.752 2.329 1.00 0.52 C ATOM 484 CG LYS A 30 -12.611 -11.654 3.552 1.00 1.24 C ATOM 485 CD LYS A 30 -13.872 -12.499 3.580 1.00 1.88 C ATOM 486 CE LYS A 30 -13.898 -13.409 4.796 1.00 2.53 C ATOM 487 NZ LYS A 30 -15.125 -14.250 4.840 1.00 3.39 N ATOM 0 H LYS A 30 -12.548 -8.700 0.873 1.00 0.35 H new ATOM 0 HA LYS A 30 -14.633 -10.287 2.150 1.00 0.43 H new ATOM 0 HB2 LYS A 30 -12.603 -11.371 1.433 1.00 0.52 H new ATOM 0 HB3 LYS A 30 -11.615 -10.223 2.314 1.00 0.52 H new ATOM 0 HG2 LYS A 30 -11.736 -12.305 3.556 1.00 1.24 H new ATOM 0 HG3 LYS A 30 -12.560 -11.046 4.455 1.00 1.24 H new ATOM 0 HD2 LYS A 30 -14.748 -11.850 3.590 1.00 1.88 H new ATOM 0 HD3 LYS A 30 -13.931 -13.099 2.672 1.00 1.88 H new ATOM 0 HE2 LYS A 30 -13.018 -14.052 4.786 1.00 2.53 H new ATOM 0 HE3 LYS A 30 -13.840 -12.805 5.702 1.00 2.53 H new ATOM 0 HZ1 LYS A 30 -15.101 -14.855 5.686 1.00 3.39 H new ATOM 0 HZ2 LYS A 30 -15.965 -13.637 4.876 1.00 3.39 H new ATOM 0 HZ3 LYS A 30 -15.168 -14.846 3.989 1.00 3.39 H new ATOM 501 N ASP A 31 -12.692 -8.779 4.267 1.00 0.56 N ATOM 502 CA ASP A 31 -12.614 -7.983 5.482 1.00 0.58 C ATOM 503 C ASP A 31 -13.911 -7.952 6.274 1.00 0.89 C ATOM 504 O ASP A 31 -14.482 -6.892 6.523 1.00 1.45 O ATOM 505 CB ASP A 31 -12.162 -6.572 5.139 1.00 0.73 C ATOM 506 CG ASP A 31 -13.185 -5.823 4.313 1.00 1.49 C ATOM 507 OD1 ASP A 31 -13.497 -6.283 3.196 1.00 2.14 O ATOM 508 OD2 ASP A 31 -13.676 -4.774 4.781 1.00 2.01 O ATOM 0 H ASP A 31 -11.814 -9.233 4.016 1.00 0.56 H new ATOM 0 HA ASP A 31 -11.882 -8.465 6.130 1.00 0.58 H new ATOM 0 HB2 ASP A 31 -11.969 -6.021 6.060 1.00 0.73 H new ATOM 0 HB3 ASP A 31 -11.220 -6.618 4.592 1.00 0.73 H new ATOM 513 N GLY A 32 -14.335 -9.126 6.704 1.00 1.01 N ATOM 514 CA GLY A 32 -15.526 -9.222 7.512 1.00 1.34 C ATOM 515 C GLY A 32 -15.201 -9.026 8.986 1.00 1.55 C ATOM 516 O GLY A 32 -15.802 -8.177 9.646 1.00 1.78 O ATOM 0 H GLY A 32 -13.875 -10.015 6.508 1.00 1.01 H new ATOM 0 HA2 GLY A 32 -16.249 -8.471 7.192 1.00 1.34 H new ATOM 0 HA3 GLY A 32 -15.992 -10.196 7.365 1.00 1.34 H new ATOM 520 N GLY A 33 -14.226 -9.798 9.480 1.00 1.72 N ATOM 521 CA GLY A 33 -13.790 -9.693 10.873 1.00 2.06 C ATOM 522 C GLY A 33 -12.650 -8.684 11.055 1.00 1.90 C ATOM 523 O GLY A 33 -12.679 -7.854 11.972 1.00 2.08 O ATOM 0 H GLY A 33 -13.726 -10.500 8.935 1.00 1.72 H new ATOM 0 HA2 GLY A 33 -14.636 -9.397 11.494 1.00 2.06 H new ATOM 0 HA3 GLY A 33 -13.464 -10.672 11.223 1.00 2.06 H new ATOM 527 N ASP A 34 -11.645 -8.754 10.173 1.00 1.71 N ATOM 528 CA ASP A 34 -10.484 -7.844 10.211 1.00 1.59 C ATOM 529 C ASP A 34 -10.267 -7.224 8.824 1.00 1.24 C ATOM 530 O ASP A 34 -10.789 -7.711 7.820 1.00 1.42 O ATOM 531 CB ASP A 34 -9.202 -8.586 10.646 1.00 1.74 C ATOM 532 CG ASP A 34 -7.996 -7.666 10.799 1.00 2.18 C ATOM 533 OD1 ASP A 34 -8.091 -6.691 11.579 1.00 2.53 O ATOM 534 OD2 ASP A 34 -6.971 -7.904 10.127 1.00 2.74 O ATOM 0 H ASP A 34 -11.610 -9.437 9.416 1.00 1.71 H new ATOM 0 HA ASP A 34 -10.693 -7.062 10.941 1.00 1.59 H new ATOM 0 HB2 ASP A 34 -9.387 -9.092 11.594 1.00 1.74 H new ATOM 0 HB3 ASP A 34 -8.971 -9.358 9.912 1.00 1.74 H new ATOM 539 N CYS A 35 -9.474 -6.169 8.770 1.00 1.02 N ATOM 540 CA CYS A 35 -9.159 -5.516 7.498 1.00 0.90 C ATOM 541 C CYS A 35 -8.036 -6.298 6.800 1.00 0.76 C ATOM 542 O CYS A 35 -7.084 -6.729 7.449 1.00 0.96 O ATOM 543 CB CYS A 35 -8.747 -4.049 7.727 1.00 1.24 C ATOM 544 SG CYS A 35 -10.020 -3.027 8.493 1.00 1.85 S ATOM 0 H CYS A 35 -9.034 -5.742 9.585 1.00 1.02 H new ATOM 0 HA CYS A 35 -10.044 -5.513 6.862 1.00 0.90 H new ATOM 0 HB2 CYS A 35 -7.856 -4.029 8.354 1.00 1.24 H new ATOM 0 HB3 CYS A 35 -8.472 -3.608 6.769 1.00 1.24 H new ATOM 0 HG CYS A 35 -9.572 -1.816 8.643 1.00 1.85 H new ATOM 550 N GLU A 36 -8.155 -6.504 5.486 1.00 0.54 N ATOM 551 CA GLU A 36 -7.144 -7.254 4.746 1.00 0.50 C ATOM 552 C GLU A 36 -6.563 -6.429 3.605 1.00 0.41 C ATOM 553 O GLU A 36 -6.056 -6.994 2.638 1.00 0.54 O ATOM 554 CB GLU A 36 -7.745 -8.520 4.112 1.00 0.53 C ATOM 555 CG GLU A 36 -8.978 -9.073 4.812 1.00 0.65 C ATOM 556 CD GLU A 36 -8.651 -9.566 6.209 1.00 1.34 C ATOM 557 OE1 GLU A 36 -7.485 -9.422 6.640 1.00 2.09 O ATOM 558 OE2 GLU A 36 -9.565 -10.092 6.870 1.00 1.76 O ATOM 0 H GLU A 36 -8.933 -6.165 4.920 1.00 0.54 H new ATOM 0 HA GLU A 36 -6.369 -7.510 5.469 1.00 0.50 H new ATOM 0 HB2 GLU A 36 -8.003 -8.301 3.076 1.00 0.53 H new ATOM 0 HB3 GLU A 36 -6.979 -9.296 4.093 1.00 0.53 H new ATOM 0 HG2 GLU A 36 -9.743 -8.299 4.868 1.00 0.65 H new ATOM 0 HG3 GLU A 36 -9.395 -9.891 4.225 1.00 0.65 H new ATOM 565 N TRP A 37 -6.639 -5.118 3.680 1.00 0.43 N ATOM 566 CA TRP A 37 -6.117 -4.306 2.602 1.00 0.45 C ATOM 567 C TRP A 37 -4.619 -4.543 2.477 1.00 0.52 C ATOM 568 O TRP A 37 -3.920 -4.476 3.476 1.00 0.93 O ATOM 569 CB TRP A 37 -6.431 -2.825 2.857 1.00 0.82 C ATOM 570 CG TRP A 37 -5.450 -2.082 3.704 1.00 0.51 C ATOM 571 CD1 TRP A 37 -4.508 -1.209 3.266 1.00 0.78 C ATOM 572 CD2 TRP A 37 -5.324 -2.134 5.128 1.00 0.85 C ATOM 573 NE1 TRP A 37 -3.806 -0.703 4.336 1.00 1.38 N ATOM 574 CE2 TRP A 37 -4.289 -1.265 5.490 1.00 1.36 C ATOM 575 CE3 TRP A 37 -5.990 -2.833 6.133 1.00 1.05 C ATOM 576 CZ2 TRP A 37 -3.906 -1.077 6.811 1.00 1.88 C ATOM 577 CZ3 TRP A 37 -5.608 -2.650 7.444 1.00 1.44 C ATOM 578 CH2 TRP A 37 -4.573 -1.776 7.775 1.00 1.83 C ATOM 0 H TRP A 37 -7.048 -4.600 4.458 1.00 0.43 H new ATOM 0 HA TRP A 37 -6.592 -4.587 1.662 1.00 0.45 H new ATOM 0 HB2 TRP A 37 -6.505 -2.319 1.894 1.00 0.82 H new ATOM 0 HB3 TRP A 37 -7.411 -2.758 3.329 1.00 0.82 H new ATOM 0 HD1 TRP A 37 -4.335 -0.950 2.232 1.00 0.78 H new ATOM 0 HE1 TRP A 37 -3.050 -0.021 4.280 1.00 1.38 H new ATOM 0 HE3 TRP A 37 -6.795 -3.509 5.887 1.00 1.05 H new ATOM 0 HZ2 TRP A 37 -3.106 -0.399 7.068 1.00 1.88 H new ATOM 0 HZ3 TRP A 37 -6.118 -3.192 8.227 1.00 1.44 H new ATOM 0 HH2 TRP A 37 -4.295 -1.650 8.811 1.00 1.83 H new ATOM 589 N VAL A 38 -4.099 -4.834 1.291 1.00 0.44 N ATOM 590 CA VAL A 38 -2.688 -5.058 1.162 1.00 0.55 C ATOM 591 C VAL A 38 -2.206 -4.352 -0.115 1.00 0.56 C ATOM 592 O VAL A 38 -3.000 -4.262 -1.023 1.00 1.64 O ATOM 593 CB VAL A 38 -2.401 -6.556 1.040 1.00 0.99 C ATOM 594 CG1 VAL A 38 -2.430 -7.222 2.387 1.00 1.83 C ATOM 595 CG2 VAL A 38 -3.389 -7.213 0.079 1.00 1.37 C ATOM 0 H VAL A 38 -4.633 -4.917 0.426 1.00 0.44 H new ATOM 0 HA VAL A 38 -2.172 -4.669 2.040 1.00 0.55 H new ATOM 0 HB VAL A 38 -1.398 -6.680 0.633 1.00 0.99 H new ATOM 0 HG11 VAL A 38 -2.223 -8.286 2.271 1.00 1.83 H new ATOM 0 HG12 VAL A 38 -1.674 -6.773 3.031 1.00 1.83 H new ATOM 0 HG13 VAL A 38 -3.414 -7.091 2.837 1.00 1.83 H new ATOM 0 HG21 VAL A 38 -3.170 -8.278 0.004 1.00 1.37 H new ATOM 0 HG22 VAL A 38 -4.404 -7.076 0.451 1.00 1.37 H new ATOM 0 HG23 VAL A 38 -3.299 -6.754 -0.906 1.00 1.37 H new ATOM 605 N LYS A 39 -0.951 -3.868 -0.225 1.00 0.48 N ATOM 606 CA LYS A 39 -0.501 -3.215 -1.489 1.00 0.37 C ATOM 607 C LYS A 39 -1.450 -2.132 -2.018 1.00 0.42 C ATOM 608 O LYS A 39 -2.674 -2.251 -2.016 1.00 1.01 O ATOM 609 CB LYS A 39 -0.239 -4.274 -2.610 1.00 0.93 C ATOM 610 CG LYS A 39 -1.279 -5.384 -2.736 1.00 1.70 C ATOM 611 CD LYS A 39 -0.875 -6.389 -3.817 1.00 2.26 C ATOM 612 CE LYS A 39 -1.900 -7.504 -3.951 1.00 2.93 C ATOM 613 NZ LYS A 39 -2.069 -8.265 -2.669 1.00 3.46 N ATOM 0 H LYS A 39 -0.248 -3.910 0.513 1.00 0.48 H new ATOM 0 HA LYS A 39 0.428 -2.710 -1.224 1.00 0.37 H new ATOM 0 HB2 LYS A 39 -0.174 -3.754 -3.566 1.00 0.93 H new ATOM 0 HB3 LYS A 39 0.733 -4.733 -2.429 1.00 0.93 H new ATOM 0 HG2 LYS A 39 -1.388 -5.896 -1.780 1.00 1.70 H new ATOM 0 HG3 LYS A 39 -2.250 -4.953 -2.979 1.00 1.70 H new ATOM 0 HD2 LYS A 39 -0.768 -5.875 -4.772 1.00 2.26 H new ATOM 0 HD3 LYS A 39 0.098 -6.815 -3.574 1.00 2.26 H new ATOM 0 HE2 LYS A 39 -2.859 -7.082 -4.252 1.00 2.93 H new ATOM 0 HE3 LYS A 39 -1.591 -8.188 -4.741 1.00 2.93 H new ATOM 0 HZ1 LYS A 39 -1.795 -9.258 -2.816 1.00 3.46 H new ATOM 0 HZ2 LYS A 39 -1.466 -7.845 -1.934 1.00 3.46 H new ATOM 0 HZ3 LYS A 39 -3.063 -8.221 -2.368 1.00 3.46 H new ATOM 627 N GLY A 40 -0.825 -1.068 -2.488 1.00 0.34 N ATOM 628 CA GLY A 40 -1.540 0.054 -3.053 1.00 0.25 C ATOM 629 C GLY A 40 -1.149 0.260 -4.496 1.00 0.40 C ATOM 630 O GLY A 40 -1.975 0.142 -5.396 1.00 0.49 O ATOM 0 H GLY A 40 0.189 -0.960 -2.487 1.00 0.34 H new ATOM 0 HA2 GLY A 40 -2.614 -0.119 -2.983 1.00 0.25 H new ATOM 0 HA3 GLY A 40 -1.324 0.956 -2.480 1.00 0.25 H new ATOM 634 N VAL A 41 0.139 0.529 -4.721 1.00 0.54 N ATOM 635 CA VAL A 41 0.654 0.712 -6.079 1.00 0.73 C ATOM 636 C VAL A 41 0.124 -0.394 -6.975 1.00 0.78 C ATOM 637 O VAL A 41 -0.275 -0.158 -8.113 1.00 0.95 O ATOM 638 CB VAL A 41 2.195 0.696 -6.108 1.00 0.90 C ATOM 639 CG1 VAL A 41 2.721 -0.611 -5.532 1.00 1.46 C ATOM 640 CG2 VAL A 41 2.706 0.912 -7.521 1.00 1.53 C ATOM 0 H VAL A 41 0.840 0.624 -3.986 1.00 0.54 H new ATOM 0 HA VAL A 41 0.317 1.684 -6.438 1.00 0.73 H new ATOM 0 HB VAL A 41 2.563 1.514 -5.489 1.00 0.90 H new ATOM 0 HG11 VAL A 41 3.811 -0.608 -5.559 1.00 1.46 H new ATOM 0 HG12 VAL A 41 2.384 -0.716 -4.501 1.00 1.46 H new ATOM 0 HG13 VAL A 41 2.346 -1.446 -6.123 1.00 1.46 H new ATOM 0 HG21 VAL A 41 3.796 0.897 -7.520 1.00 1.53 H new ATOM 0 HG22 VAL A 41 2.333 0.118 -8.168 1.00 1.53 H new ATOM 0 HG23 VAL A 41 2.357 1.876 -7.891 1.00 1.53 H new ATOM 650 N HIS A 42 0.083 -1.599 -6.416 1.00 0.68 N ATOM 651 CA HIS A 42 -0.448 -2.748 -7.124 1.00 0.76 C ATOM 652 C HIS A 42 -1.967 -2.644 -7.162 1.00 0.71 C ATOM 653 O HIS A 42 -2.606 -2.927 -8.176 1.00 0.84 O ATOM 654 CB HIS A 42 -0.032 -4.039 -6.418 1.00 0.78 C ATOM 655 CG HIS A 42 1.444 -4.155 -6.194 1.00 1.62 C ATOM 656 ND1 HIS A 42 2.358 -4.195 -7.223 1.00 2.42 N ATOM 657 CD2 HIS A 42 2.163 -4.235 -5.047 1.00 2.23 C ATOM 658 CE1 HIS A 42 3.578 -4.296 -6.723 1.00 3.43 C ATOM 659 NE2 HIS A 42 3.486 -4.321 -5.406 1.00 3.33 N ATOM 0 H HIS A 42 0.413 -1.801 -5.472 1.00 0.68 H new ATOM 0 HA HIS A 42 -0.053 -2.766 -8.140 1.00 0.76 H new ATOM 0 HB2 HIS A 42 -0.542 -4.097 -5.456 1.00 0.78 H new ATOM 0 HB3 HIS A 42 -0.369 -4.891 -7.009 1.00 0.78 H new ATOM 0 HD2 HIS A 42 1.770 -4.232 -4.041 1.00 2.23 H new ATOM 0 HE1 HIS A 42 4.493 -4.349 -7.294 1.00 3.43 H new ATOM 0 HE2 HIS A 42 4.271 -4.393 -4.759 1.00 3.33 H new ATOM 668 N VAL A 43 -2.535 -2.225 -6.031 1.00 0.57 N ATOM 669 CA VAL A 43 -3.978 -2.068 -5.916 1.00 0.58 C ATOM 670 C VAL A 43 -4.409 -0.629 -6.206 1.00 0.56 C ATOM 671 O VAL A 43 -5.265 -0.075 -5.517 1.00 0.55 O ATOM 672 CB VAL A 43 -4.496 -2.493 -4.520 1.00 0.53 C ATOM 673 CG1 VAL A 43 -6.014 -2.415 -4.497 1.00 0.62 C ATOM 674 CG2 VAL A 43 -4.030 -3.902 -4.197 1.00 0.56 C ATOM 0 H VAL A 43 -2.016 -1.990 -5.185 1.00 0.57 H new ATOM 0 HA VAL A 43 -4.420 -2.727 -6.663 1.00 0.58 H new ATOM 0 HB VAL A 43 -4.095 -1.818 -3.764 1.00 0.53 H new ATOM 0 HG11 VAL A 43 -6.379 -2.714 -3.514 1.00 0.62 H new ATOM 0 HG12 VAL A 43 -6.329 -1.392 -4.705 1.00 0.62 H new ATOM 0 HG13 VAL A 43 -6.424 -3.082 -5.255 1.00 0.62 H new ATOM 0 HG21 VAL A 43 -4.400 -4.191 -3.213 1.00 0.56 H new ATOM 0 HG22 VAL A 43 -4.415 -4.593 -4.947 1.00 0.56 H new ATOM 0 HG23 VAL A 43 -2.940 -3.934 -4.199 1.00 0.56 H new ATOM 684 N ALA A 44 -3.818 -0.026 -7.238 1.00 0.62 N ATOM 685 CA ALA A 44 -4.159 1.341 -7.611 1.00 0.63 C ATOM 686 C ALA A 44 -4.013 2.279 -6.420 1.00 0.50 C ATOM 687 O ALA A 44 -4.995 2.843 -5.935 1.00 0.51 O ATOM 688 CB ALA A 44 -5.570 1.383 -8.165 1.00 0.75 C ATOM 0 H ALA A 44 -3.106 -0.461 -7.825 1.00 0.62 H new ATOM 0 HA ALA A 44 -3.469 1.679 -8.384 1.00 0.63 H new ATOM 0 HB1 ALA A 44 -5.822 2.407 -8.443 1.00 0.75 H new ATOM 0 HB2 ALA A 44 -5.635 0.742 -9.044 1.00 0.75 H new ATOM 0 HB3 ALA A 44 -6.269 1.031 -7.407 1.00 0.75 H new ATOM 694 N GLU A 45 -2.783 2.426 -5.939 1.00 0.46 N ATOM 695 CA GLU A 45 -2.517 3.273 -4.789 1.00 0.37 C ATOM 696 C GLU A 45 -2.985 4.704 -5.032 1.00 0.35 C ATOM 697 O GLU A 45 -3.763 5.253 -4.252 1.00 0.39 O ATOM 698 CB GLU A 45 -1.017 3.242 -4.418 1.00 0.48 C ATOM 699 CG GLU A 45 -0.456 4.551 -3.863 1.00 0.57 C ATOM 700 CD GLU A 45 0.895 4.379 -3.198 1.00 0.76 C ATOM 701 OE1 GLU A 45 1.394 3.236 -3.158 1.00 1.21 O ATOM 702 OE2 GLU A 45 1.453 5.388 -2.716 1.00 1.28 O ATOM 0 H GLU A 45 -1.958 1.969 -6.329 1.00 0.46 H new ATOM 0 HA GLU A 45 -3.086 2.876 -3.948 1.00 0.37 H new ATOM 0 HB2 GLU A 45 -0.858 2.456 -3.680 1.00 0.48 H new ATOM 0 HB3 GLU A 45 -0.446 2.968 -5.305 1.00 0.48 H new ATOM 0 HG2 GLU A 45 -0.367 5.275 -4.673 1.00 0.57 H new ATOM 0 HG3 GLU A 45 -1.160 4.965 -3.142 1.00 0.57 H new ATOM 709 N ASP A 46 -2.487 5.312 -6.099 1.00 0.38 N ATOM 710 CA ASP A 46 -2.842 6.687 -6.409 1.00 0.43 C ATOM 711 C ASP A 46 -4.129 6.771 -7.232 1.00 0.45 C ATOM 712 O ASP A 46 -4.329 7.723 -7.983 1.00 0.67 O ATOM 713 CB ASP A 46 -1.698 7.371 -7.161 1.00 0.57 C ATOM 714 CG ASP A 46 -1.940 8.853 -7.374 1.00 1.40 C ATOM 715 OD1 ASP A 46 -2.965 9.363 -6.873 1.00 2.07 O ATOM 716 OD2 ASP A 46 -1.112 9.502 -8.047 1.00 2.14 O ATOM 0 H ASP A 46 -1.841 4.878 -6.759 1.00 0.38 H new ATOM 0 HA ASP A 46 -3.016 7.201 -5.464 1.00 0.43 H new ATOM 0 HB2 ASP A 46 -0.771 7.235 -6.605 1.00 0.57 H new ATOM 0 HB3 ASP A 46 -1.564 6.886 -8.128 1.00 0.57 H new ATOM 721 N VAL A 47 -5.004 5.778 -7.089 1.00 0.35 N ATOM 722 CA VAL A 47 -6.256 5.767 -7.822 1.00 0.41 C ATOM 723 C VAL A 47 -7.437 5.795 -6.869 1.00 0.41 C ATOM 724 O VAL A 47 -8.408 6.519 -7.084 1.00 0.51 O ATOM 725 CB VAL A 47 -6.363 4.514 -8.708 1.00 0.50 C ATOM 726 CG1 VAL A 47 -7.661 4.524 -9.503 1.00 0.59 C ATOM 727 CG2 VAL A 47 -5.157 4.407 -9.631 1.00 0.56 C ATOM 0 H VAL A 47 -4.865 4.976 -6.474 1.00 0.35 H new ATOM 0 HA VAL A 47 -6.273 6.657 -8.451 1.00 0.41 H new ATOM 0 HB VAL A 47 -6.373 3.636 -8.062 1.00 0.50 H new ATOM 0 HG11 VAL A 47 -7.715 3.629 -10.122 1.00 0.59 H new ATOM 0 HG12 VAL A 47 -8.508 4.542 -8.817 1.00 0.59 H new ATOM 0 HG13 VAL A 47 -7.691 5.408 -10.140 1.00 0.59 H new ATOM 0 HG21 VAL A 47 -5.251 3.515 -10.250 1.00 0.56 H new ATOM 0 HG22 VAL A 47 -5.109 5.289 -10.270 1.00 0.56 H new ATOM 0 HG23 VAL A 47 -4.247 4.341 -9.035 1.00 0.56 H new ATOM 737 N ALA A 48 -7.349 5.001 -5.812 1.00 0.38 N ATOM 738 CA ALA A 48 -8.417 4.942 -4.830 1.00 0.44 C ATOM 739 C ALA A 48 -8.233 6.003 -3.750 1.00 0.39 C ATOM 740 O ALA A 48 -9.195 6.408 -3.100 1.00 0.46 O ATOM 741 CB ALA A 48 -8.498 3.554 -4.224 1.00 0.52 C ATOM 0 H ALA A 48 -6.554 4.393 -5.615 1.00 0.38 H new ATOM 0 HA ALA A 48 -9.359 5.152 -5.336 1.00 0.44 H new ATOM 0 HB1 ALA A 48 -9.303 3.524 -3.490 1.00 0.52 H new ATOM 0 HB2 ALA A 48 -8.696 2.825 -5.010 1.00 0.52 H new ATOM 0 HB3 ALA A 48 -7.553 3.314 -3.737 1.00 0.52 H new ATOM 747 N LYS A 49 -6.994 6.451 -3.561 1.00 0.35 N ATOM 748 CA LYS A 49 -6.697 7.467 -2.551 1.00 0.41 C ATOM 749 C LYS A 49 -7.651 8.641 -2.685 1.00 0.43 C ATOM 750 O LYS A 49 -8.258 9.081 -1.713 1.00 0.59 O ATOM 751 CB LYS A 49 -5.246 7.952 -2.676 1.00 0.49 C ATOM 752 CG LYS A 49 -4.994 8.905 -3.835 1.00 1.19 C ATOM 753 CD LYS A 49 -3.535 9.335 -3.887 1.00 1.51 C ATOM 754 CE LYS A 49 -3.115 10.052 -2.613 1.00 1.95 C ATOM 755 NZ LYS A 49 -3.907 11.291 -2.381 1.00 2.65 N ATOM 0 H LYS A 49 -6.183 6.130 -4.090 1.00 0.35 H new ATOM 0 HA LYS A 49 -6.827 7.016 -1.567 1.00 0.41 H new ATOM 0 HB2 LYS A 49 -4.961 8.447 -1.748 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -4.595 7.085 -2.788 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -5.267 8.421 -4.773 1.00 1.19 H new ATOM 0 HG3 LYS A 49 -5.631 9.783 -3.732 1.00 1.19 H new ATOM 0 HD2 LYS A 49 -2.903 8.460 -4.038 1.00 1.51 H new ATOM 0 HD3 LYS A 49 -3.379 9.992 -4.743 1.00 1.51 H new ATOM 0 HE2 LYS A 49 -3.236 9.381 -1.763 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -2.056 10.305 -2.672 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -3.481 11.835 -1.604 1.00 2.65 H new ATOM 0 HZ2 LYS A 49 -3.910 11.868 -3.246 1.00 2.65 H new ATOM 0 HZ3 LYS A 49 -4.884 11.037 -2.131 1.00 2.65 H new ATOM 769 N ASP A 50 -7.779 9.134 -3.901 1.00 0.41 N ATOM 770 CA ASP A 50 -8.657 10.252 -4.177 1.00 0.50 C ATOM 771 C ASP A 50 -10.114 9.885 -3.971 1.00 0.51 C ATOM 772 O ASP A 50 -10.964 10.758 -3.793 1.00 0.68 O ATOM 773 CB ASP A 50 -8.427 10.757 -5.600 1.00 0.58 C ATOM 774 CG ASP A 50 -7.138 11.543 -5.741 1.00 1.27 C ATOM 775 OD1 ASP A 50 -6.061 10.967 -5.483 1.00 1.96 O ATOM 776 OD2 ASP A 50 -7.207 12.736 -6.107 1.00 1.69 O ATOM 0 H ASP A 50 -7.283 8.775 -4.717 1.00 0.41 H new ATOM 0 HA ASP A 50 -8.419 11.048 -3.472 1.00 0.50 H new ATOM 0 HB2 ASP A 50 -8.407 9.908 -6.284 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -9.266 11.386 -5.898 1.00 0.58 H new ATOM 781 N TYR A 51 -10.404 8.596 -4.004 1.00 0.51 N ATOM 782 CA TYR A 51 -11.765 8.132 -3.829 1.00 0.57 C ATOM 783 C TYR A 51 -12.297 8.406 -2.431 1.00 0.52 C ATOM 784 O TYR A 51 -13.358 8.996 -2.276 1.00 0.58 O ATOM 785 CB TYR A 51 -11.861 6.653 -4.072 1.00 0.66 C ATOM 786 CG TYR A 51 -13.292 6.180 -4.088 1.00 0.68 C ATOM 787 CD1 TYR A 51 -14.151 6.529 -5.118 1.00 1.08 C ATOM 788 CD2 TYR A 51 -13.780 5.369 -3.072 1.00 0.72 C ATOM 789 CE1 TYR A 51 -15.460 6.076 -5.135 1.00 1.16 C ATOM 790 CE2 TYR A 51 -15.084 4.914 -3.083 1.00 0.78 C ATOM 791 CZ TYR A 51 -15.944 5.345 -4.119 1.00 0.86 C ATOM 792 OH TYR A 51 -17.219 4.820 -4.132 1.00 0.99 O ATOM 0 H TYR A 51 -9.717 7.856 -4.150 1.00 0.51 H new ATOM 0 HA TYR A 51 -12.364 8.683 -4.554 1.00 0.57 H new ATOM 0 HB2 TYR A 51 -11.387 6.409 -5.023 1.00 0.66 H new ATOM 0 HB3 TYR A 51 -11.311 6.121 -3.296 1.00 0.66 H new ATOM 0 HD1 TYR A 51 -13.795 7.162 -5.917 1.00 1.08 H new ATOM 0 HD2 TYR A 51 -13.128 5.089 -2.258 1.00 0.72 H new ATOM 0 HE1 TYR A 51 -16.097 6.313 -5.974 1.00 1.16 H new ATOM 0 HE2 TYR A 51 -15.440 4.242 -2.316 1.00 0.78 H new ATOM 0 HH TYR A 51 -17.873 5.550 -4.143 1.00 0.99 H new ATOM 802 N GLU A 52 -11.570 7.941 -1.421 1.00 0.49 N ATOM 803 CA GLU A 52 -11.996 8.112 -0.029 1.00 0.58 C ATOM 804 C GLU A 52 -11.402 9.363 0.573 1.00 0.57 C ATOM 805 O GLU A 52 -12.118 10.269 1.003 1.00 0.66 O ATOM 806 CB GLU A 52 -11.551 6.931 0.830 1.00 0.78 C ATOM 807 CG GLU A 52 -12.371 6.782 2.102 1.00 1.39 C ATOM 808 CD GLU A 52 -11.779 5.782 3.072 1.00 2.19 C ATOM 809 OE1 GLU A 52 -10.658 5.300 2.814 1.00 2.81 O ATOM 810 OE2 GLU A 52 -12.430 5.491 4.095 1.00 2.76 O ATOM 0 H GLU A 52 -10.686 7.444 -1.535 1.00 0.49 H new ATOM 0 HA GLU A 52 -13.084 8.181 -0.042 1.00 0.58 H new ATOM 0 HB2 GLU A 52 -11.627 6.014 0.245 1.00 0.78 H new ATOM 0 HB3 GLU A 52 -10.501 7.055 1.093 1.00 0.78 H new ATOM 0 HG2 GLU A 52 -12.451 7.752 2.592 1.00 1.39 H new ATOM 0 HG3 GLU A 52 -13.383 6.472 1.841 1.00 1.39 H new ATOM 817 N ASP A 53 -10.075 9.370 0.612 1.00 0.57 N ATOM 818 CA ASP A 53 -9.288 10.467 1.173 1.00 0.66 C ATOM 819 C ASP A 53 -9.984 11.820 0.994 1.00 0.78 C ATOM 820 O ASP A 53 -9.947 12.671 1.882 1.00 0.99 O ATOM 821 CB ASP A 53 -7.912 10.475 0.512 1.00 0.69 C ATOM 822 CG ASP A 53 -6.893 11.286 1.292 1.00 1.27 C ATOM 823 OD1 ASP A 53 -7.106 12.505 1.460 1.00 1.61 O ATOM 824 OD2 ASP A 53 -5.882 10.701 1.732 1.00 2.12 O ATOM 0 H ASP A 53 -9.506 8.605 0.251 1.00 0.57 H new ATOM 0 HA ASP A 53 -9.183 10.308 2.246 1.00 0.66 H new ATOM 0 HB2 ASP A 53 -7.555 9.450 0.412 1.00 0.69 H new ATOM 0 HB3 ASP A 53 -8.000 10.881 -0.496 1.00 0.69 H new ATOM 829 N GLY A 54 -10.641 11.992 -0.148 1.00 0.76 N ATOM 830 CA GLY A 54 -11.365 13.224 -0.409 1.00 0.99 C ATOM 831 C GLY A 54 -12.822 13.122 0.011 1.00 1.06 C ATOM 832 O GLY A 54 -13.341 13.989 0.712 1.00 1.27 O ATOM 0 H GLY A 54 -10.686 11.301 -0.897 1.00 0.76 H new ATOM 0 HA2 GLY A 54 -10.889 14.046 0.126 1.00 0.99 H new ATOM 0 HA3 GLY A 54 -11.309 13.461 -1.472 1.00 0.99 H new ATOM 836 N LEU A 55 -13.473 12.043 -0.419 1.00 0.96 N ATOM 837 CA LEU A 55 -14.877 11.794 -0.091 1.00 1.08 C ATOM 838 C LEU A 55 -15.052 11.477 1.394 1.00 1.17 C ATOM 839 O LEU A 55 -15.257 12.379 2.205 1.00 1.46 O ATOM 840 CB LEU A 55 -15.401 10.653 -0.950 1.00 1.14 C ATOM 841 CG LEU A 55 -15.630 11.005 -2.424 1.00 1.50 C ATOM 842 CD1 LEU A 55 -14.402 11.684 -3.016 1.00 2.32 C ATOM 843 CD2 LEU A 55 -15.988 9.760 -3.221 1.00 2.04 C ATOM 0 H LEU A 55 -13.047 11.321 -1.000 1.00 0.96 H new ATOM 0 HA LEU A 55 -15.451 12.697 -0.300 1.00 1.08 H new ATOM 0 HB2 LEU A 55 -14.696 9.823 -0.895 1.00 1.14 H new ATOM 0 HB3 LEU A 55 -16.341 10.301 -0.526 1.00 1.14 H new ATOM 0 HG LEU A 55 -16.465 11.703 -2.481 1.00 1.50 H new ATOM 0 HD11 LEU A 55 -14.588 11.924 -4.063 1.00 2.32 H new ATOM 0 HD12 LEU A 55 -14.192 12.601 -2.465 1.00 2.32 H new ATOM 0 HD13 LEU A 55 -13.546 11.014 -2.945 1.00 2.32 H new ATOM 0 HD21 LEU A 55 -16.147 10.030 -4.265 1.00 2.04 H new ATOM 0 HD22 LEU A 55 -15.175 9.038 -3.152 1.00 2.04 H new ATOM 0 HD23 LEU A 55 -16.900 9.319 -2.817 1.00 2.04 H new ATOM 855 N GLU A 56 -14.968 10.193 1.750 1.00 1.14 N ATOM 856 CA GLU A 56 -15.114 9.776 3.142 1.00 1.35 C ATOM 857 C GLU A 56 -13.872 10.135 3.961 1.00 1.40 C ATOM 858 O GLU A 56 -13.234 9.259 4.545 1.00 1.53 O ATOM 859 CB GLU A 56 -15.365 8.269 3.232 1.00 1.50 C ATOM 860 CG GLU A 56 -16.740 7.847 2.737 1.00 2.03 C ATOM 861 CD GLU A 56 -17.012 6.372 2.963 1.00 2.47 C ATOM 862 OE1 GLU A 56 -16.103 5.669 3.454 1.00 2.88 O ATOM 863 OE2 GLU A 56 -18.134 5.920 2.654 1.00 2.96 O ATOM 0 H GLU A 56 -14.800 9.429 1.095 1.00 1.14 H new ATOM 0 HA GLU A 56 -15.971 10.309 3.554 1.00 1.35 H new ATOM 0 HB2 GLU A 56 -14.604 7.748 2.651 1.00 1.50 H new ATOM 0 HB3 GLU A 56 -15.249 7.952 4.268 1.00 1.50 H new ATOM 0 HG2 GLU A 56 -17.502 8.436 3.247 1.00 2.03 H new ATOM 0 HG3 GLU A 56 -16.824 8.070 1.673 1.00 2.03 H new ATOM 870 N TYR A 57 -13.526 11.419 3.996 1.00 1.40 N ATOM 871 CA TYR A 57 -12.355 11.878 4.739 1.00 1.54 C ATOM 872 C TYR A 57 -12.365 11.338 6.165 1.00 1.86 C ATOM 873 O TYR A 57 -13.380 10.727 6.559 1.00 2.28 O ATOM 874 CB TYR A 57 -12.310 13.407 4.767 1.00 1.67 C ATOM 875 CG TYR A 57 -11.148 13.967 5.558 1.00 2.04 C ATOM 876 CD1 TYR A 57 -9.846 13.550 5.304 1.00 2.75 C ATOM 877 CD2 TYR A 57 -11.352 14.912 6.556 1.00 2.29 C ATOM 878 CE1 TYR A 57 -8.783 14.057 6.025 1.00 3.60 C ATOM 879 CE2 TYR A 57 -10.292 15.422 7.282 1.00 3.06 C ATOM 880 CZ TYR A 57 -9.009 14.994 7.010 1.00 3.70 C ATOM 881 OH TYR A 57 -7.951 15.501 7.728 1.00 4.67 O ATOM 882 OXT TYR A 57 -11.356 11.532 6.878 1.00 2.26 O ATOM 0 H TYR A 57 -14.039 12.160 3.519 1.00 1.40 H new ATOM 0 HA TYR A 57 -11.467 11.501 4.232 1.00 1.54 H new ATOM 0 HB2 TYR A 57 -12.254 13.779 3.744 1.00 1.67 H new ATOM 0 HB3 TYR A 57 -13.241 13.781 5.192 1.00 1.67 H new ATOM 0 HD1 TYR A 57 -9.663 12.818 4.531 1.00 2.75 H new ATOM 0 HD2 TYR A 57 -12.354 15.253 6.768 1.00 2.29 H new ATOM 0 HE1 TYR A 57 -7.778 13.720 5.818 1.00 3.60 H new ATOM 0 HE2 TYR A 57 -10.467 16.152 8.058 1.00 3.06 H new ATOM 0 HH TYR A 57 -8.281 16.151 8.383 1.00 4.67 H new TER 892 TYR A 57