USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 607 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 35 CYS SG : rot 17:sc= -0.321 USER MOD Set 1.2: A 71 THR OG1 : rot -139:sc= -0.496 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 0.145 (180deg=0.0671) USER MOD Single : A 18 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0595 USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.862 USER MOD Single : A 39 LYS NZ :NH3+ -117:sc= -0.0888 (180deg=-1.28) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -143:sc= -1.53 (180deg=-2.93) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.27) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 58 GLN : amide:sc= -0.368 K(o=-0.37,f=-1.3) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.254 USER MOD Single : A 80 MET CE :methyl -147:sc= -2.17! (180deg=-2.6!) USER MOD Single : A 81 MET CE :methyl -119:sc= -1.47 (180deg=-2.9!) USER MOD Single : A 84 CYS SG : rot -30:sc= 0.00843 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 5.994 -6.026 -5.748 1.00 70.42 N ATOM 62 CA TYR A 5 5.117 -6.042 -6.913 1.00 21.50 C ATOM 63 C TYR A 5 5.167 -4.708 -7.651 1.00 64.32 C ATOM 64 O TYR A 5 5.229 -4.667 -8.880 1.00 55.52 O ATOM 65 CB TYR A 5 3.680 -6.351 -6.491 1.00 55.21 C ATOM 66 CG TYR A 5 3.487 -7.762 -5.984 1.00 32.12 C ATOM 67 CD1 TYR A 5 4.099 -8.838 -6.615 1.00 11.03 C ATOM 68 CD2 TYR A 5 2.693 -8.019 -4.873 1.00 21.33 C ATOM 69 CE1 TYR A 5 3.925 -10.129 -6.155 1.00 52.11 C ATOM 70 CE2 TYR A 5 2.515 -9.307 -4.405 1.00 55.00 C ATOM 71 CZ TYR A 5 3.132 -10.358 -5.050 1.00 30.31 C ATOM 72 OH TYR A 5 2.957 -11.643 -4.588 1.00 42.20 O ATOM 0 HA TYR A 5 5.466 -6.823 -7.588 1.00 21.50 H new ATOM 0 HB2 TYR A 5 3.381 -5.650 -5.712 1.00 55.21 H new ATOM 0 HB3 TYR A 5 3.017 -6.186 -7.341 1.00 55.21 H new ATOM 0 HD1 TYR A 5 4.721 -8.662 -7.480 1.00 11.03 H new ATOM 0 HD2 TYR A 5 2.207 -7.198 -4.367 1.00 21.33 H new ATOM 0 HE1 TYR A 5 4.407 -10.954 -6.658 1.00 52.11 H new ATOM 0 HE2 TYR A 5 1.896 -9.489 -3.539 1.00 55.00 H new ATOM 0 HH TYR A 5 2.372 -11.631 -3.802 1.00 42.20 H new ATOM 82 N LYS A 6 5.142 -3.618 -6.892 1.00 33.32 N ATOM 83 CA LYS A 6 5.186 -2.281 -7.471 1.00 2.34 C ATOM 84 C LYS A 6 6.530 -2.024 -8.145 1.00 71.34 C ATOM 85 O LYS A 6 6.611 -1.286 -9.127 1.00 24.51 O ATOM 86 CB LYS A 6 4.937 -1.226 -6.390 1.00 33.42 C ATOM 87 CG LYS A 6 6.163 -0.916 -5.548 1.00 74.14 C ATOM 88 CD LYS A 6 6.954 0.246 -6.124 1.00 4.11 C ATOM 89 CE LYS A 6 7.651 1.041 -5.031 1.00 4.34 C ATOM 90 NZ LYS A 6 8.923 0.396 -4.600 1.00 53.22 N ATOM 0 H LYS A 6 5.091 -3.635 -5.873 1.00 33.32 H new ATOM 0 HA LYS A 6 4.402 -2.213 -8.225 1.00 2.34 H new ATOM 0 HB2 LYS A 6 4.590 -0.308 -6.864 1.00 33.42 H new ATOM 0 HB3 LYS A 6 4.135 -1.570 -5.736 1.00 33.42 H new ATOM 0 HG2 LYS A 6 5.856 -0.679 -4.529 1.00 74.14 H new ATOM 0 HG3 LYS A 6 6.800 -1.799 -5.492 1.00 74.14 H new ATOM 0 HD2 LYS A 6 7.694 -0.131 -6.830 1.00 4.11 H new ATOM 0 HD3 LYS A 6 6.286 0.901 -6.682 1.00 4.11 H new ATOM 0 HE2 LYS A 6 7.859 2.049 -5.391 1.00 4.34 H new ATOM 0 HE3 LYS A 6 6.985 1.140 -4.173 1.00 4.34 H new ATOM 0 HZ1 LYS A 6 9.367 0.969 -3.854 1.00 53.22 H new ATOM 0 HZ2 LYS A 6 8.722 -0.556 -4.232 1.00 53.22 H new ATOM 0 HZ3 LYS A 6 9.569 0.324 -5.412 1.00 53.22 H new ATOM 104 N ALA A 7 7.581 -2.639 -7.613 1.00 61.33 N ATOM 105 CA ALA A 7 8.920 -2.480 -8.167 1.00 21.15 C ATOM 106 C ALA A 7 9.026 -3.129 -9.543 1.00 2.53 C ATOM 107 O ALA A 7 9.898 -2.779 -10.338 1.00 71.41 O ATOM 108 CB ALA A 7 9.955 -3.071 -7.221 1.00 65.22 C ATOM 0 H ALA A 7 7.531 -3.252 -6.799 1.00 61.33 H new ATOM 0 HA ALA A 7 9.115 -1.414 -8.282 1.00 21.15 H new ATOM 0 HB1 ALA A 7 10.951 -2.946 -7.647 1.00 65.22 H new ATOM 0 HB2 ALA A 7 9.904 -2.559 -6.260 1.00 65.22 H new ATOM 0 HB3 ALA A 7 9.753 -4.132 -7.078 1.00 65.22 H new ATOM 114 N ALA A 8 8.134 -4.075 -9.816 1.00 51.43 N ATOM 115 CA ALA A 8 8.127 -4.771 -11.097 1.00 11.41 C ATOM 116 C ALA A 8 7.495 -3.910 -12.186 1.00 34.52 C ATOM 117 O ALA A 8 8.006 -3.830 -13.303 1.00 1.13 O ATOM 118 CB ALA A 8 7.389 -6.096 -10.973 1.00 42.44 C ATOM 0 H ALA A 8 7.407 -4.377 -9.168 1.00 51.43 H new ATOM 0 HA ALA A 8 9.160 -4.969 -11.381 1.00 11.41 H new ATOM 0 HB1 ALA A 8 7.391 -6.605 -11.937 1.00 42.44 H new ATOM 0 HB2 ALA A 8 7.886 -6.721 -10.231 1.00 42.44 H new ATOM 0 HB3 ALA A 8 6.361 -5.912 -10.662 1.00 42.44 H new ATOM 124 N VAL A 9 6.379 -3.269 -11.854 1.00 34.24 N ATOM 125 CA VAL A 9 5.676 -2.414 -12.803 1.00 64.54 C ATOM 126 C VAL A 9 6.454 -1.130 -13.066 1.00 42.10 C ATOM 127 O VAL A 9 6.337 -0.529 -14.134 1.00 30.53 O ATOM 128 CB VAL A 9 4.267 -2.054 -12.298 1.00 53.13 C ATOM 129 CG1 VAL A 9 3.355 -3.270 -12.346 1.00 32.40 C ATOM 130 CG2 VAL A 9 4.336 -1.484 -10.890 1.00 14.14 C ATOM 0 H VAL A 9 5.942 -3.326 -10.934 1.00 34.24 H new ATOM 0 HA VAL A 9 5.587 -2.978 -13.731 1.00 64.54 H new ATOM 0 HB VAL A 9 3.849 -1.291 -12.954 1.00 53.13 H new ATOM 0 HG11 VAL A 9 2.364 -2.996 -11.985 1.00 32.40 H new ATOM 0 HG12 VAL A 9 3.281 -3.629 -13.372 1.00 32.40 H new ATOM 0 HG13 VAL A 9 3.766 -4.058 -11.715 1.00 32.40 H new ATOM 0 HG21 VAL A 9 3.331 -1.235 -10.549 1.00 14.14 H new ATOM 0 HG22 VAL A 9 4.774 -2.223 -10.219 1.00 14.14 H new ATOM 0 HG23 VAL A 9 4.952 -0.585 -10.891 1.00 14.14 H new ATOM 140 N GLU A 10 7.249 -0.715 -12.085 1.00 11.54 N ATOM 141 CA GLU A 10 8.046 0.500 -12.210 1.00 62.14 C ATOM 142 C GLU A 10 9.199 0.295 -13.189 1.00 51.02 C ATOM 143 O GLU A 10 9.663 1.242 -13.823 1.00 51.14 O ATOM 144 CB GLU A 10 8.592 0.922 -10.845 1.00 15.35 C ATOM 145 CG GLU A 10 7.704 1.918 -10.116 1.00 44.04 C ATOM 146 CD GLU A 10 8.425 3.212 -9.790 1.00 21.52 C ATOM 147 OE1 GLU A 10 9.060 3.784 -10.700 1.00 72.00 O ATOM 148 OE2 GLU A 10 8.354 3.651 -8.623 1.00 12.31 O ATOM 0 H GLU A 10 7.358 -1.202 -11.195 1.00 11.54 H new ATOM 0 HA GLU A 10 7.400 1.289 -12.594 1.00 62.14 H new ATOM 0 HB2 GLU A 10 8.716 0.036 -10.223 1.00 15.35 H new ATOM 0 HB3 GLU A 10 9.581 1.360 -10.978 1.00 15.35 H new ATOM 0 HG2 GLU A 10 6.831 2.138 -10.730 1.00 44.04 H new ATOM 0 HG3 GLU A 10 7.340 1.467 -9.193 1.00 44.04 H new ATOM 155 N GLN A 11 9.655 -0.948 -13.305 1.00 3.21 N ATOM 156 CA GLN A 11 10.754 -1.277 -14.205 1.00 43.20 C ATOM 157 C GLN A 11 10.230 -1.687 -15.577 1.00 71.40 C ATOM 158 O GLN A 11 11.006 -1.970 -16.491 1.00 30.42 O ATOM 159 CB GLN A 11 11.606 -2.401 -13.614 1.00 63.30 C ATOM 160 CG GLN A 11 10.823 -3.672 -13.328 1.00 71.44 C ATOM 161 CD GLN A 11 11.716 -4.832 -12.932 1.00 53.35 C ATOM 162 OE1 GLN A 11 12.606 -4.687 -12.094 1.00 13.21 O ATOM 163 NE2 GLN A 11 11.482 -5.992 -13.535 1.00 43.21 N ATOM 0 H GLN A 11 9.281 -1.743 -12.787 1.00 3.21 H new ATOM 0 HA GLN A 11 11.372 -0.387 -14.324 1.00 43.20 H new ATOM 0 HB2 GLN A 11 12.418 -2.632 -14.304 1.00 63.30 H new ATOM 0 HB3 GLN A 11 12.064 -2.050 -12.689 1.00 63.30 H new ATOM 0 HG2 GLN A 11 10.107 -3.481 -12.529 1.00 71.44 H new ATOM 0 HG3 GLN A 11 10.248 -3.947 -14.212 1.00 71.44 H new ATOM 0 HE21 GLN A 11 10.733 -6.067 -14.224 1.00 43.21 H new ATOM 0 HE22 GLN A 11 12.051 -6.808 -13.309 1.00 43.21 H new ATOM 172 N LEU A 12 8.909 -1.718 -15.715 1.00 21.41 N ATOM 173 CA LEU A 12 8.280 -2.095 -16.976 1.00 61.12 C ATOM 174 C LEU A 12 8.547 -1.047 -18.052 1.00 35.01 C ATOM 175 O LEU A 12 9.187 -0.027 -17.796 1.00 25.11 O ATOM 176 CB LEU A 12 6.773 -2.273 -16.784 1.00 21.51 C ATOM 177 CG LEU A 12 6.328 -3.599 -16.165 1.00 74.05 C ATOM 178 CD1 LEU A 12 4.812 -3.653 -16.052 1.00 51.43 C ATOM 179 CD2 LEU A 12 6.845 -4.771 -16.987 1.00 33.23 C ATOM 0 H LEU A 12 8.253 -1.487 -14.969 1.00 21.41 H new ATOM 0 HA LEU A 12 8.713 -3.041 -17.301 1.00 61.12 H new ATOM 0 HB2 LEU A 12 6.408 -1.461 -16.155 1.00 21.51 H new ATOM 0 HB3 LEU A 12 6.288 -2.167 -17.754 1.00 21.51 H new ATOM 0 HG LEU A 12 6.750 -3.670 -15.162 1.00 74.05 H new ATOM 0 HD11 LEU A 12 4.514 -4.603 -15.610 1.00 51.43 H new ATOM 0 HD12 LEU A 12 4.465 -2.834 -15.422 1.00 51.43 H new ATOM 0 HD13 LEU A 12 4.370 -3.560 -17.044 1.00 51.43 H new ATOM 0 HD21 LEU A 12 6.519 -5.706 -16.532 1.00 33.23 H new ATOM 0 HD22 LEU A 12 6.453 -4.705 -18.002 1.00 33.23 H new ATOM 0 HD23 LEU A 12 7.934 -4.742 -17.017 1.00 33.23 H new ATOM 191 N THR A 13 8.048 -1.304 -19.257 1.00 44.25 N ATOM 192 CA THR A 13 8.231 -0.383 -20.372 1.00 45.11 C ATOM 193 C THR A 13 6.966 0.426 -20.631 1.00 15.15 C ATOM 194 O THR A 13 5.892 0.092 -20.130 1.00 62.34 O ATOM 195 CB THR A 13 8.621 -1.131 -21.661 1.00 31.21 C ATOM 196 OG1 THR A 13 8.905 -0.193 -22.705 1.00 63.30 O ATOM 197 CG2 THR A 13 7.505 -2.066 -22.102 1.00 71.02 C ATOM 0 H THR A 13 7.514 -2.142 -19.486 1.00 44.25 H new ATOM 0 HA THR A 13 9.040 0.292 -20.094 1.00 45.11 H new ATOM 0 HB THR A 13 9.511 -1.725 -21.455 1.00 31.21 H new ATOM 0 HG1 THR A 13 9.154 -0.676 -23.520 1.00 63.30 H new ATOM 0 HG21 THR A 13 7.803 -2.583 -23.014 1.00 71.02 H new ATOM 0 HG22 THR A 13 7.311 -2.797 -21.317 1.00 71.02 H new ATOM 0 HG23 THR A 13 6.600 -1.489 -22.291 1.00 71.02 H new ATOM 205 N GLU A 14 7.099 1.491 -21.415 1.00 0.00 N ATOM 206 CA GLU A 14 5.964 2.347 -21.739 1.00 1.41 C ATOM 207 C GLU A 14 4.839 1.540 -22.380 1.00 42.25 C ATOM 208 O GLU A 14 3.662 1.852 -22.207 1.00 54.13 O ATOM 209 CB GLU A 14 6.399 3.474 -22.679 1.00 33.21 C ATOM 210 CG GLU A 14 7.402 4.431 -22.058 1.00 43.15 C ATOM 211 CD GLU A 14 7.539 5.722 -22.843 1.00 23.33 C ATOM 212 OE1 GLU A 14 7.124 5.746 -24.020 1.00 51.43 O ATOM 213 OE2 GLU A 14 8.062 6.706 -22.280 1.00 14.23 O ATOM 0 H GLU A 14 7.981 1.782 -21.837 1.00 0.00 H new ATOM 0 HA GLU A 14 5.592 2.781 -20.811 1.00 1.41 H new ATOM 0 HB2 GLU A 14 6.834 3.038 -23.578 1.00 33.21 H new ATOM 0 HB3 GLU A 14 5.519 4.036 -22.991 1.00 33.21 H new ATOM 0 HG2 GLU A 14 7.095 4.661 -21.038 1.00 43.15 H new ATOM 0 HG3 GLU A 14 8.375 3.943 -21.996 1.00 43.15 H new ATOM 220 N GLU A 15 5.212 0.502 -23.122 1.00 62.12 N ATOM 221 CA GLU A 15 4.235 -0.349 -23.791 1.00 12.13 C ATOM 222 C GLU A 15 3.337 -1.048 -22.774 1.00 72.33 C ATOM 223 O GLU A 15 2.115 -1.068 -22.921 1.00 41.11 O ATOM 224 CB GLU A 15 4.942 -1.388 -24.663 1.00 22.21 C ATOM 225 CG GLU A 15 5.923 -0.785 -25.654 1.00 3.20 C ATOM 226 CD GLU A 15 5.235 -0.186 -26.865 1.00 70.23 C ATOM 227 OE1 GLU A 15 4.314 -0.833 -27.405 1.00 71.53 O ATOM 228 OE2 GLU A 15 5.618 0.931 -27.273 1.00 20.42 O ATOM 0 H GLU A 15 6.183 0.230 -23.275 1.00 62.12 H new ATOM 0 HA GLU A 15 3.614 0.283 -24.425 1.00 12.13 H new ATOM 0 HB2 GLU A 15 5.473 -2.089 -24.019 1.00 22.21 H new ATOM 0 HB3 GLU A 15 4.193 -1.962 -25.209 1.00 22.21 H new ATOM 0 HG2 GLU A 15 6.509 -0.013 -25.155 1.00 3.20 H new ATOM 0 HG3 GLU A 15 6.622 -1.555 -25.982 1.00 3.20 H new ATOM 235 N GLN A 16 3.952 -1.621 -21.745 1.00 63.21 N ATOM 236 CA GLN A 16 3.209 -2.323 -20.705 1.00 50.31 C ATOM 237 C GLN A 16 2.269 -1.371 -19.972 1.00 71.32 C ATOM 238 O GLN A 16 1.098 -1.684 -19.753 1.00 64.11 O ATOM 239 CB GLN A 16 4.172 -2.973 -19.711 1.00 22.41 C ATOM 240 CG GLN A 16 5.066 -4.033 -20.334 1.00 60.25 C ATOM 241 CD GLN A 16 4.544 -5.439 -20.116 1.00 32.44 C ATOM 242 OE1 GLN A 16 3.336 -5.676 -20.138 1.00 54.14 O ATOM 243 NE2 GLN A 16 5.454 -6.383 -19.902 1.00 51.41 N ATOM 0 H GLN A 16 4.963 -1.613 -21.609 1.00 63.21 H new ATOM 0 HA GLN A 16 2.611 -3.100 -21.182 1.00 50.31 H new ATOM 0 HB2 GLN A 16 4.797 -2.199 -19.264 1.00 22.41 H new ATOM 0 HB3 GLN A 16 3.597 -3.424 -18.903 1.00 22.41 H new ATOM 0 HG2 GLN A 16 5.155 -3.845 -21.404 1.00 60.25 H new ATOM 0 HG3 GLN A 16 6.068 -3.952 -19.912 1.00 60.25 H new ATOM 0 HE21 GLN A 16 6.445 -6.143 -19.892 1.00 51.41 H new ATOM 0 HE22 GLN A 16 5.161 -7.348 -19.748 1.00 51.41 H new ATOM 252 N LYS A 17 2.789 -0.208 -19.594 1.00 74.35 N ATOM 253 CA LYS A 17 1.996 0.790 -18.887 1.00 5.45 C ATOM 254 C LYS A 17 0.891 1.342 -19.781 1.00 50.11 C ATOM 255 O LYS A 17 -0.208 1.639 -19.314 1.00 43.12 O ATOM 256 CB LYS A 17 2.893 1.932 -18.402 1.00 53.41 C ATOM 257 CG LYS A 17 4.114 1.462 -17.631 1.00 51.12 C ATOM 258 CD LYS A 17 3.727 0.840 -16.300 1.00 24.30 C ATOM 259 CE LYS A 17 3.521 1.899 -15.228 1.00 52.35 C ATOM 260 NZ LYS A 17 4.801 2.278 -14.568 1.00 70.44 N ATOM 0 H LYS A 17 3.756 0.066 -19.766 1.00 74.35 H new ATOM 0 HA LYS A 17 1.534 0.307 -18.026 1.00 5.45 H new ATOM 0 HB2 LYS A 17 3.220 2.516 -19.262 1.00 53.41 H new ATOM 0 HB3 LYS A 17 2.308 2.598 -17.768 1.00 53.41 H new ATOM 0 HG2 LYS A 17 4.664 0.734 -18.227 1.00 51.12 H new ATOM 0 HG3 LYS A 17 4.784 2.305 -17.459 1.00 51.12 H new ATOM 0 HD2 LYS A 17 2.812 0.260 -16.421 1.00 24.30 H new ATOM 0 HD3 LYS A 17 4.505 0.146 -15.982 1.00 24.30 H new ATOM 0 HE2 LYS A 17 3.067 2.784 -15.674 1.00 52.35 H new ATOM 0 HE3 LYS A 17 2.823 1.526 -14.479 1.00 52.35 H new ATOM 0 HZ1 LYS A 17 4.599 2.753 -13.665 1.00 70.44 H new ATOM 0 HZ2 LYS A 17 5.366 1.423 -14.390 1.00 70.44 H new ATOM 0 HZ3 LYS A 17 5.333 2.923 -15.187 1.00 70.44 H new ATOM 274 N ASN A 18 1.190 1.475 -21.069 1.00 54.04 N ATOM 275 CA ASN A 18 0.220 1.990 -22.029 1.00 41.24 C ATOM 276 C ASN A 18 -0.943 1.018 -22.203 1.00 41.10 C ATOM 277 O ASN A 18 -2.095 1.431 -22.334 1.00 63.21 O ATOM 278 CB ASN A 18 0.893 2.244 -23.380 1.00 25.33 C ATOM 279 CG ASN A 18 1.408 3.664 -23.511 1.00 63.05 C ATOM 280 OD1 ASN A 18 0.849 4.595 -22.933 1.00 15.23 O ATOM 281 ND2 ASN A 18 2.480 3.836 -24.276 1.00 63.02 N ATOM 0 H ASN A 18 2.095 1.234 -21.472 1.00 54.04 H new ATOM 0 HA ASN A 18 -0.171 2.931 -21.642 1.00 41.24 H new ATOM 0 HB2 ASN A 18 1.721 1.547 -23.507 1.00 25.33 H new ATOM 0 HB3 ASN A 18 0.181 2.043 -24.181 1.00 25.33 H new ATOM 0 HD21 ASN A 18 2.872 4.769 -24.403 1.00 63.02 H new ATOM 0 HD22 ASN A 18 2.912 3.035 -24.737 1.00 63.02 H new ATOM 288 N GLU A 19 -0.632 -0.274 -22.202 1.00 70.41 N ATOM 289 CA GLU A 19 -1.652 -1.305 -22.360 1.00 3.23 C ATOM 290 C GLU A 19 -2.568 -1.354 -21.141 1.00 15.22 C ATOM 291 O GLU A 19 -3.789 -1.456 -21.271 1.00 45.54 O ATOM 292 CB GLU A 19 -0.998 -2.671 -22.575 1.00 73.44 C ATOM 293 CG GLU A 19 -0.485 -2.884 -23.990 1.00 35.42 C ATOM 294 CD GLU A 19 -1.587 -2.803 -25.028 1.00 73.03 C ATOM 295 OE1 GLU A 19 -2.770 -2.935 -24.651 1.00 12.22 O ATOM 296 OE2 GLU A 19 -1.266 -2.607 -26.219 1.00 61.12 O ATOM 0 H GLU A 19 0.317 -0.632 -22.094 1.00 70.41 H new ATOM 0 HA GLU A 19 -2.252 -1.056 -23.235 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -0.169 -2.781 -21.876 1.00 73.44 H new ATOM 0 HB3 GLU A 19 -1.721 -3.452 -22.338 1.00 73.44 H new ATOM 0 HG2 GLU A 19 0.275 -2.135 -24.213 1.00 35.42 H new ATOM 0 HG3 GLU A 19 -0.001 -3.859 -24.054 1.00 35.42 H new ATOM 303 N PHE A 20 -1.972 -1.281 -19.956 1.00 23.44 N ATOM 304 CA PHE A 20 -2.733 -1.319 -18.713 1.00 32.34 C ATOM 305 C PHE A 20 -3.621 -0.085 -18.581 1.00 72.31 C ATOM 306 O PHE A 20 -4.804 -0.189 -18.254 1.00 4.24 O ATOM 307 CB PHE A 20 -1.788 -1.411 -17.513 1.00 62.31 C ATOM 308 CG PHE A 20 -0.905 -2.627 -17.537 1.00 55.42 C ATOM 309 CD1 PHE A 20 -1.381 -3.835 -18.020 1.00 51.14 C ATOM 310 CD2 PHE A 20 0.399 -2.561 -17.076 1.00 45.30 C ATOM 311 CE1 PHE A 20 -0.572 -4.955 -18.044 1.00 64.13 C ATOM 312 CE2 PHE A 20 1.214 -3.677 -17.098 1.00 34.31 C ATOM 313 CZ PHE A 20 0.727 -4.876 -17.581 1.00 62.24 C ATOM 0 H PHE A 20 -0.963 -1.195 -19.830 1.00 23.44 H new ATOM 0 HA PHE A 20 -3.370 -2.203 -18.734 1.00 32.34 H new ATOM 0 HB2 PHE A 20 -1.163 -0.518 -17.484 1.00 62.31 H new ATOM 0 HB3 PHE A 20 -2.377 -1.418 -16.596 1.00 62.31 H new ATOM 0 HD1 PHE A 20 -2.396 -3.902 -18.382 1.00 51.14 H new ATOM 0 HD2 PHE A 20 0.784 -1.627 -16.695 1.00 45.30 H new ATOM 0 HE1 PHE A 20 -0.955 -5.891 -18.424 1.00 64.13 H new ATOM 0 HE2 PHE A 20 2.230 -3.612 -16.738 1.00 34.31 H new ATOM 0 HZ PHE A 20 1.361 -5.750 -17.597 1.00 62.24 H new ATOM 323 N LYS A 21 -3.042 1.083 -18.838 1.00 75.31 N ATOM 324 CA LYS A 21 -3.779 2.338 -18.750 1.00 30.02 C ATOM 325 C LYS A 21 -4.940 2.358 -19.739 1.00 42.42 C ATOM 326 O LYS A 21 -5.943 3.036 -19.519 1.00 50.33 O ATOM 327 CB LYS A 21 -2.846 3.521 -19.018 1.00 24.31 C ATOM 328 CG LYS A 21 -3.341 4.831 -18.431 1.00 45.30 C ATOM 329 CD LYS A 21 -4.115 5.644 -19.455 1.00 63.14 C ATOM 330 CE LYS A 21 -5.109 6.582 -18.787 1.00 65.42 C ATOM 331 NZ LYS A 21 -4.432 7.750 -18.158 1.00 32.43 N ATOM 0 H LYS A 21 -2.064 1.187 -19.109 1.00 75.31 H new ATOM 0 HA LYS A 21 -4.183 2.423 -17.741 1.00 30.02 H new ATOM 0 HB2 LYS A 21 -1.862 3.297 -18.607 1.00 24.31 H new ATOM 0 HB3 LYS A 21 -2.722 3.639 -20.095 1.00 24.31 H new ATOM 0 HG2 LYS A 21 -3.978 4.627 -17.570 1.00 45.30 H new ATOM 0 HG3 LYS A 21 -2.493 5.412 -18.070 1.00 45.30 H new ATOM 0 HD2 LYS A 21 -3.419 6.223 -20.063 1.00 63.14 H new ATOM 0 HD3 LYS A 21 -4.645 4.972 -20.130 1.00 63.14 H new ATOM 0 HE2 LYS A 21 -5.829 6.934 -19.526 1.00 65.42 H new ATOM 0 HE3 LYS A 21 -5.671 6.036 -18.029 1.00 65.42 H new ATOM 0 HZ1 LYS A 21 -5.143 8.365 -17.714 1.00 32.43 H new ATOM 0 HZ2 LYS A 21 -3.763 7.416 -17.435 1.00 32.43 H new ATOM 0 HZ3 LYS A 21 -3.917 8.286 -18.885 1.00 32.43 H new ATOM 345 N ALA A 22 -4.796 1.610 -20.828 1.00 55.22 N ATOM 346 CA ALA A 22 -5.835 1.540 -21.849 1.00 4.11 C ATOM 347 C ALA A 22 -6.937 0.566 -21.445 1.00 44.42 C ATOM 348 O ALA A 22 -8.109 0.934 -21.380 1.00 73.22 O ATOM 349 CB ALA A 22 -5.233 1.134 -23.186 1.00 52.54 C ATOM 0 H ALA A 22 -3.971 1.044 -21.026 1.00 55.22 H new ATOM 0 HA ALA A 22 -6.280 2.530 -21.949 1.00 4.11 H new ATOM 0 HB1 ALA A 22 -6.019 1.085 -23.939 1.00 52.54 H new ATOM 0 HB2 ALA A 22 -4.487 1.869 -23.487 1.00 52.54 H new ATOM 0 HB3 ALA A 22 -4.761 0.156 -23.091 1.00 52.54 H new ATOM 355 N ALA A 23 -6.552 -0.677 -21.176 1.00 1.23 N ATOM 356 CA ALA A 23 -7.507 -1.703 -20.777 1.00 55.31 C ATOM 357 C ALA A 23 -8.197 -1.332 -19.468 1.00 70.15 C ATOM 358 O ALA A 23 -9.294 -1.809 -19.176 1.00 63.31 O ATOM 359 CB ALA A 23 -6.812 -3.050 -20.646 1.00 41.35 C ATOM 0 H ALA A 23 -5.585 -0.998 -21.227 1.00 1.23 H new ATOM 0 HA ALA A 23 -8.270 -1.774 -21.552 1.00 55.31 H new ATOM 0 HB1 ALA A 23 -7.538 -3.806 -20.347 1.00 41.35 H new ATOM 0 HB2 ALA A 23 -6.372 -3.327 -21.604 1.00 41.35 H new ATOM 0 HB3 ALA A 23 -6.027 -2.983 -19.892 1.00 41.35 H new ATOM 365 N PHE A 24 -7.547 -0.479 -18.684 1.00 32.04 N ATOM 366 CA PHE A 24 -8.097 -0.046 -17.405 1.00 15.34 C ATOM 367 C PHE A 24 -9.242 0.942 -17.611 1.00 42.25 C ATOM 368 O PHE A 24 -10.178 1.000 -16.814 1.00 72.13 O ATOM 369 CB PHE A 24 -7.005 0.595 -16.546 1.00 22.51 C ATOM 370 CG PHE A 24 -7.508 1.125 -15.234 1.00 5.03 C ATOM 371 CD1 PHE A 24 -7.826 0.261 -14.198 1.00 53.24 C ATOM 372 CD2 PHE A 24 -7.662 2.488 -15.036 1.00 22.33 C ATOM 373 CE1 PHE A 24 -8.289 0.746 -12.989 1.00 42.05 C ATOM 374 CE2 PHE A 24 -8.123 2.978 -13.829 1.00 14.41 C ATOM 375 CZ PHE A 24 -8.438 2.107 -12.805 1.00 74.50 C ATOM 0 H PHE A 24 -6.639 -0.074 -18.912 1.00 32.04 H new ATOM 0 HA PHE A 24 -8.486 -0.924 -16.890 1.00 15.34 H new ATOM 0 HB2 PHE A 24 -6.224 -0.142 -16.356 1.00 22.51 H new ATOM 0 HB3 PHE A 24 -6.545 1.410 -17.106 1.00 22.51 H new ATOM 0 HD1 PHE A 24 -7.711 -0.804 -14.337 1.00 53.24 H new ATOM 0 HD2 PHE A 24 -7.419 3.175 -15.834 1.00 22.33 H new ATOM 0 HE1 PHE A 24 -8.534 0.062 -12.190 1.00 42.05 H new ATOM 0 HE2 PHE A 24 -8.237 4.042 -13.687 1.00 14.41 H new ATOM 0 HZ PHE A 24 -8.800 2.489 -11.862 1.00 74.50 H new ATOM 385 N ASP A 25 -9.158 1.718 -18.687 1.00 12.04 N ATOM 386 CA ASP A 25 -10.186 2.704 -19.000 1.00 32.12 C ATOM 387 C ASP A 25 -11.513 2.023 -19.321 1.00 22.42 C ATOM 388 O ASP A 25 -12.575 2.482 -18.901 1.00 52.42 O ATOM 389 CB ASP A 25 -9.747 3.573 -20.179 1.00 3.41 C ATOM 390 CG ASP A 25 -10.738 4.680 -20.483 1.00 65.44 C ATOM 391 OD1 ASP A 25 -10.607 5.772 -19.893 1.00 15.44 O ATOM 392 OD2 ASP A 25 -11.643 4.453 -21.313 1.00 44.02 O ATOM 0 H ASP A 25 -8.389 1.683 -19.356 1.00 12.04 H new ATOM 0 HA ASP A 25 -10.326 3.337 -18.124 1.00 32.12 H new ATOM 0 HB2 ASP A 25 -8.773 4.011 -19.961 1.00 3.41 H new ATOM 0 HB3 ASP A 25 -9.624 2.947 -21.062 1.00 3.41 H new ATOM 397 N ILE A 26 -11.443 0.926 -20.068 1.00 32.35 N ATOM 398 CA ILE A 26 -12.639 0.182 -20.444 1.00 64.35 C ATOM 399 C ILE A 26 -13.300 -0.450 -19.225 1.00 14.15 C ATOM 400 O ILE A 26 -14.512 -0.667 -19.205 1.00 13.43 O ATOM 401 CB ILE A 26 -12.315 -0.922 -21.468 1.00 70.43 C ATOM 402 CG1 ILE A 26 -11.711 -0.313 -22.735 1.00 1.51 C ATOM 403 CG2 ILE A 26 -13.568 -1.718 -21.803 1.00 22.23 C ATOM 404 CD1 ILE A 26 -10.207 -0.455 -22.816 1.00 72.44 C ATOM 0 H ILE A 26 -10.572 0.533 -20.424 1.00 32.35 H new ATOM 0 HA ILE A 26 -13.326 0.897 -20.896 1.00 64.35 H new ATOM 0 HB ILE A 26 -11.583 -1.600 -21.029 1.00 70.43 H new ATOM 0 HG12 ILE A 26 -12.160 -0.789 -23.607 1.00 1.51 H new ATOM 0 HG13 ILE A 26 -11.971 0.745 -22.780 1.00 1.51 H new ATOM 0 HG21 ILE A 26 -13.323 -2.494 -22.528 1.00 22.23 H new ATOM 0 HG22 ILE A 26 -13.960 -2.179 -20.896 1.00 22.23 H new ATOM 0 HG23 ILE A 26 -14.320 -1.052 -22.225 1.00 22.23 H new ATOM 0 HD11 ILE A 26 -9.848 -0.001 -23.740 1.00 72.44 H new ATOM 0 HD12 ILE A 26 -9.748 0.045 -21.963 1.00 72.44 H new ATOM 0 HD13 ILE A 26 -9.940 -1.512 -22.803 1.00 72.44 H new ATOM 416 N PHE A 27 -12.497 -0.742 -18.207 1.00 40.11 N ATOM 417 CA PHE A 27 -13.004 -1.348 -16.982 1.00 35.32 C ATOM 418 C PHE A 27 -13.689 -0.306 -16.102 1.00 70.13 C ATOM 419 O PHE A 27 -14.724 -0.575 -15.493 1.00 31.15 O ATOM 420 CB PHE A 27 -11.866 -2.016 -16.208 1.00 65.04 C ATOM 421 CG PHE A 27 -11.545 -3.402 -16.691 1.00 34.04 C ATOM 422 CD1 PHE A 27 -11.284 -3.641 -18.030 1.00 52.32 C ATOM 423 CD2 PHE A 27 -11.506 -4.466 -15.804 1.00 71.33 C ATOM 424 CE1 PHE A 27 -10.989 -4.915 -18.477 1.00 41.13 C ATOM 425 CE2 PHE A 27 -11.211 -5.742 -16.245 1.00 61.43 C ATOM 426 CZ PHE A 27 -10.953 -5.967 -17.584 1.00 32.24 C ATOM 0 H PHE A 27 -11.492 -0.568 -18.207 1.00 40.11 H new ATOM 0 HA PHE A 27 -13.739 -2.104 -17.259 1.00 35.32 H new ATOM 0 HB2 PHE A 27 -10.972 -1.397 -16.285 1.00 65.04 H new ATOM 0 HB3 PHE A 27 -12.133 -2.060 -15.152 1.00 65.04 H new ATOM 0 HD1 PHE A 27 -11.311 -2.822 -18.733 1.00 52.32 H new ATOM 0 HD2 PHE A 27 -11.708 -4.296 -14.757 1.00 71.33 H new ATOM 0 HE1 PHE A 27 -10.787 -5.087 -19.524 1.00 41.13 H new ATOM 0 HE2 PHE A 27 -11.182 -6.563 -15.544 1.00 61.43 H new ATOM 0 HZ PHE A 27 -10.724 -6.964 -17.931 1.00 32.24 H new ATOM 436 N VAL A 28 -13.103 0.885 -16.041 1.00 43.44 N ATOM 437 CA VAL A 28 -13.655 1.969 -15.237 1.00 50.04 C ATOM 438 C VAL A 28 -14.729 2.731 -16.005 1.00 74.44 C ATOM 439 O VAL A 28 -15.255 3.737 -15.527 1.00 21.30 O ATOM 440 CB VAL A 28 -12.558 2.956 -14.796 1.00 61.11 C ATOM 441 CG1 VAL A 28 -11.497 2.242 -13.973 1.00 23.20 C ATOM 442 CG2 VAL A 28 -11.937 3.637 -16.006 1.00 41.40 C ATOM 0 H VAL A 28 -12.246 1.124 -16.539 1.00 43.44 H new ATOM 0 HA VAL A 28 -14.099 1.512 -14.353 1.00 50.04 H new ATOM 0 HB VAL A 28 -13.014 3.723 -14.170 1.00 61.11 H new ATOM 0 HG11 VAL A 28 -10.730 2.955 -13.670 1.00 23.20 H new ATOM 0 HG12 VAL A 28 -11.957 1.806 -13.086 1.00 23.20 H new ATOM 0 HG13 VAL A 28 -11.042 1.453 -14.572 1.00 23.20 H new ATOM 0 HG21 VAL A 28 -11.164 4.331 -15.676 1.00 41.40 H new ATOM 0 HG22 VAL A 28 -11.495 2.885 -16.660 1.00 41.40 H new ATOM 0 HG23 VAL A 28 -12.707 4.184 -16.551 1.00 41.40 H new ATOM 452 N LEU A 29 -15.052 2.245 -17.199 1.00 33.42 N ATOM 453 CA LEU A 29 -16.066 2.879 -18.035 1.00 3.03 C ATOM 454 C LEU A 29 -17.379 3.034 -17.275 1.00 33.20 C ATOM 455 O LEU A 29 -18.183 3.915 -17.577 1.00 5.43 O ATOM 456 CB LEU A 29 -16.292 2.060 -19.306 1.00 73.53 C ATOM 457 CG LEU A 29 -15.477 2.480 -20.530 1.00 32.22 C ATOM 458 CD1 LEU A 29 -15.732 1.533 -21.692 1.00 72.21 C ATOM 459 CD2 LEU A 29 -15.807 3.912 -20.924 1.00 51.02 C ATOM 0 H LEU A 29 -14.626 1.414 -17.610 1.00 33.42 H new ATOM 0 HA LEU A 29 -15.707 3.871 -18.309 1.00 3.03 H new ATOM 0 HB2 LEU A 29 -16.068 1.016 -19.086 1.00 73.53 H new ATOM 0 HB3 LEU A 29 -17.350 2.111 -19.564 1.00 73.53 H new ATOM 0 HG LEU A 29 -14.419 2.430 -20.273 1.00 32.22 H new ATOM 0 HD11 LEU A 29 -15.144 1.848 -22.554 1.00 72.21 H new ATOM 0 HD12 LEU A 29 -15.445 0.521 -21.406 1.00 72.21 H new ATOM 0 HD13 LEU A 29 -16.791 1.550 -21.950 1.00 72.21 H new ATOM 0 HD21 LEU A 29 -15.218 4.194 -21.797 1.00 51.02 H new ATOM 0 HD22 LEU A 29 -16.868 3.989 -21.162 1.00 51.02 H new ATOM 0 HD23 LEU A 29 -15.572 4.581 -20.096 1.00 51.02 H new ATOM 471 N GLY A 30 -17.590 2.171 -16.285 1.00 50.13 N ATOM 472 CA GLY A 30 -18.806 2.230 -15.496 1.00 54.40 C ATOM 473 C GLY A 30 -18.596 2.907 -14.156 1.00 43.11 C ATOM 474 O GLY A 30 -19.149 2.479 -13.143 1.00 43.35 O ATOM 0 H GLY A 30 -16.940 1.432 -16.016 1.00 50.13 H new ATOM 0 HA2 GLY A 30 -19.572 2.767 -16.055 1.00 54.40 H new ATOM 0 HA3 GLY A 30 -19.180 1.219 -15.334 1.00 54.40 H new ATOM 478 N ALA A 31 -17.792 3.966 -14.149 1.00 72.45 N ATOM 479 CA ALA A 31 -17.510 4.703 -12.924 1.00 61.31 C ATOM 480 C ALA A 31 -16.889 6.061 -13.231 1.00 54.42 C ATOM 481 O ALA A 31 -15.724 6.148 -13.618 1.00 15.12 O ATOM 482 CB ALA A 31 -16.592 3.893 -12.021 1.00 25.02 C ATOM 0 H ALA A 31 -17.325 4.332 -14.978 1.00 72.45 H new ATOM 0 HA ALA A 31 -18.454 4.873 -12.406 1.00 61.31 H new ATOM 0 HB1 ALA A 31 -16.389 4.455 -11.109 1.00 25.02 H new ATOM 0 HB2 ALA A 31 -17.073 2.949 -11.766 1.00 25.02 H new ATOM 0 HB3 ALA A 31 -15.655 3.693 -12.540 1.00 25.02 H new ATOM 488 N GLU A 32 -17.676 7.119 -13.057 1.00 43.01 N ATOM 489 CA GLU A 32 -17.202 8.473 -13.318 1.00 12.32 C ATOM 490 C GLU A 32 -15.967 8.789 -12.479 1.00 32.22 C ATOM 491 O GLU A 32 -15.156 9.640 -12.844 1.00 72.13 O ATOM 492 CB GLU A 32 -18.307 9.490 -13.021 1.00 61.42 C ATOM 493 CG GLU A 32 -18.220 10.748 -13.869 1.00 73.51 C ATOM 494 CD GLU A 32 -19.437 11.640 -13.715 1.00 24.12 C ATOM 495 OE1 GLU A 32 -20.567 11.139 -13.890 1.00 42.15 O ATOM 496 OE2 GLU A 32 -19.257 12.840 -13.418 1.00 33.20 O ATOM 0 H GLU A 32 -18.643 7.064 -12.737 1.00 43.01 H new ATOM 0 HA GLU A 32 -16.931 8.538 -14.372 1.00 12.32 H new ATOM 0 HB2 GLU A 32 -19.276 9.019 -13.184 1.00 61.42 H new ATOM 0 HB3 GLU A 32 -18.260 9.768 -11.968 1.00 61.42 H new ATOM 0 HG2 GLU A 32 -17.327 11.308 -13.592 1.00 73.51 H new ATOM 0 HG3 GLU A 32 -18.109 10.469 -14.917 1.00 73.51 H new ATOM 503 N ASP A 33 -15.832 8.097 -11.353 1.00 11.34 N ATOM 504 CA ASP A 33 -14.696 8.302 -10.461 1.00 54.31 C ATOM 505 C ASP A 33 -13.421 7.722 -11.064 1.00 22.03 C ATOM 506 O ASP A 33 -12.317 8.166 -10.751 1.00 62.21 O ATOM 507 CB ASP A 33 -14.968 7.663 -9.099 1.00 34.24 C ATOM 508 CG ASP A 33 -15.981 8.444 -8.284 1.00 74.55 C ATOM 509 OD1 ASP A 33 -16.413 9.520 -8.748 1.00 72.13 O ATOM 510 OD2 ASP A 33 -16.343 7.978 -7.184 1.00 31.21 O ATOM 0 H ASP A 33 -16.495 7.389 -11.036 1.00 11.34 H new ATOM 0 HA ASP A 33 -14.558 9.375 -10.328 1.00 54.31 H new ATOM 0 HB2 ASP A 33 -15.330 6.645 -9.244 1.00 34.24 H new ATOM 0 HB3 ASP A 33 -14.034 7.592 -8.541 1.00 34.24 H new ATOM 515 N GLY A 34 -13.581 6.726 -11.929 1.00 72.54 N ATOM 516 CA GLY A 34 -12.434 6.100 -12.561 1.00 32.20 C ATOM 517 C GLY A 34 -11.864 4.965 -11.734 1.00 31.14 C ATOM 518 O GLY A 34 -10.656 4.903 -11.501 1.00 52.12 O ATOM 0 H GLY A 34 -14.485 6.341 -12.204 1.00 72.54 H new ATOM 0 HA2 GLY A 34 -12.725 5.721 -13.541 1.00 32.20 H new ATOM 0 HA3 GLY A 34 -11.660 6.850 -12.726 1.00 32.20 H new ATOM 522 N CYS A 35 -12.734 4.066 -11.287 1.00 1.04 N ATOM 523 CA CYS A 35 -12.310 2.929 -10.478 1.00 34.44 C ATOM 524 C CYS A 35 -13.152 1.696 -10.790 1.00 35.24 C ATOM 525 O CYS A 35 -14.110 1.765 -11.561 1.00 11.23 O ATOM 526 CB CYS A 35 -12.413 3.268 -8.990 1.00 1.01 C ATOM 527 SG CYS A 35 -14.107 3.496 -8.400 1.00 2.12 S ATOM 0 H CYS A 35 -13.737 4.102 -11.471 1.00 1.04 H new ATOM 0 HA CYS A 35 -11.271 2.709 -10.722 1.00 34.44 H new ATOM 0 HB2 CYS A 35 -11.943 2.471 -8.413 1.00 1.01 H new ATOM 0 HB3 CYS A 35 -11.846 4.179 -8.796 1.00 1.01 H new ATOM 0 HG CYS A 35 -14.938 2.982 -9.258 1.00 2.12 H new ATOM 533 N ILE A 36 -12.788 0.569 -10.187 1.00 72.02 N ATOM 534 CA ILE A 36 -13.510 -0.679 -10.401 1.00 71.14 C ATOM 535 C ILE A 36 -13.846 -1.354 -9.076 1.00 32.10 C ATOM 536 O ILE A 36 -12.954 -1.737 -8.319 1.00 34.20 O ATOM 537 CB ILE A 36 -12.698 -1.657 -11.271 1.00 52.12 C ATOM 538 CG1 ILE A 36 -12.405 -1.035 -12.638 1.00 41.11 C ATOM 539 CG2 ILE A 36 -13.448 -2.971 -11.431 1.00 64.21 C ATOM 540 CD1 ILE A 36 -10.955 -1.149 -13.055 1.00 74.14 C ATOM 0 H ILE A 36 -11.998 0.495 -9.547 1.00 72.02 H new ATOM 0 HA ILE A 36 -14.434 -0.424 -10.921 1.00 71.14 H new ATOM 0 HB ILE A 36 -11.749 -1.860 -10.774 1.00 52.12 H new ATOM 0 HG12 ILE A 36 -13.030 -1.518 -13.389 1.00 41.11 H new ATOM 0 HG13 ILE A 36 -12.687 0.018 -12.617 1.00 41.11 H new ATOM 0 HG21 ILE A 36 -12.862 -3.652 -12.048 1.00 64.21 H new ATOM 0 HG22 ILE A 36 -13.611 -3.419 -10.451 1.00 64.21 H new ATOM 0 HG23 ILE A 36 -14.410 -2.785 -11.909 1.00 64.21 H new ATOM 0 HD11 ILE A 36 -10.820 -0.687 -14.033 1.00 74.14 H new ATOM 0 HD12 ILE A 36 -10.325 -0.641 -12.324 1.00 74.14 H new ATOM 0 HD13 ILE A 36 -10.673 -2.201 -13.108 1.00 74.14 H new ATOM 552 N SER A 37 -15.139 -1.498 -8.803 1.00 30.24 N ATOM 553 CA SER A 37 -15.594 -2.126 -7.567 1.00 41.54 C ATOM 554 C SER A 37 -15.731 -3.635 -7.743 1.00 42.11 C ATOM 555 O SER A 37 -16.171 -4.113 -8.789 1.00 32.31 O ATOM 556 CB SER A 37 -16.933 -1.528 -7.130 1.00 24.10 C ATOM 557 OG SER A 37 -17.978 -1.930 -7.998 1.00 13.20 O ATOM 0 H SER A 37 -15.890 -1.189 -9.420 1.00 30.24 H new ATOM 0 HA SER A 37 -14.849 -1.934 -6.795 1.00 41.54 H new ATOM 0 HB2 SER A 37 -17.160 -1.843 -6.112 1.00 24.10 H new ATOM 0 HB3 SER A 37 -16.863 -0.440 -7.119 1.00 24.10 H new ATOM 0 HG SER A 37 -18.823 -1.536 -7.697 1.00 13.20 H new ATOM 563 N THR A 38 -15.350 -4.382 -6.711 1.00 43.51 N ATOM 564 CA THR A 38 -15.428 -5.836 -6.750 1.00 61.31 C ATOM 565 C THR A 38 -16.805 -6.301 -7.210 1.00 12.34 C ATOM 566 O THR A 38 -16.941 -7.353 -7.834 1.00 41.02 O ATOM 567 CB THR A 38 -15.124 -6.452 -5.371 1.00 74.34 C ATOM 568 OG1 THR A 38 -15.528 -7.826 -5.349 1.00 64.22 O ATOM 569 CG2 THR A 38 -15.843 -5.690 -4.268 1.00 44.01 C ATOM 0 H THR A 38 -14.984 -4.003 -5.838 1.00 43.51 H new ATOM 0 HA THR A 38 -14.677 -6.174 -7.464 1.00 61.31 H new ATOM 0 HB THR A 38 -14.050 -6.386 -5.197 1.00 74.34 H new ATOM 0 HG1 THR A 38 -15.480 -8.166 -4.431 1.00 64.22 H new ATOM 0 HG21 THR A 38 -15.613 -6.143 -3.304 1.00 44.01 H new ATOM 0 HG22 THR A 38 -15.513 -4.651 -4.269 1.00 44.01 H new ATOM 0 HG23 THR A 38 -16.919 -5.729 -4.440 1.00 44.01 H new ATOM 577 N LYS A 39 -17.826 -5.509 -6.897 1.00 61.42 N ATOM 578 CA LYS A 39 -19.194 -5.838 -7.280 1.00 11.34 C ATOM 579 C LYS A 39 -19.347 -5.851 -8.797 1.00 43.42 C ATOM 580 O LYS A 39 -19.931 -6.774 -9.363 1.00 24.20 O ATOM 581 CB LYS A 39 -20.172 -4.833 -6.667 1.00 1.34 C ATOM 582 CG LYS A 39 -20.438 -5.067 -5.190 1.00 14.43 C ATOM 583 CD LYS A 39 -21.202 -3.908 -4.571 1.00 32.15 C ATOM 584 CE LYS A 39 -22.659 -3.903 -5.009 1.00 23.34 C ATOM 585 NZ LYS A 39 -22.857 -3.131 -6.266 1.00 52.40 N ATOM 0 H LYS A 39 -17.732 -4.635 -6.379 1.00 61.42 H new ATOM 0 HA LYS A 39 -19.421 -6.835 -6.902 1.00 11.34 H new ATOM 0 HB2 LYS A 39 -19.777 -3.826 -6.801 1.00 1.34 H new ATOM 0 HB3 LYS A 39 -21.116 -4.880 -7.210 1.00 1.34 H new ATOM 0 HG2 LYS A 39 -21.007 -5.988 -5.063 1.00 14.43 H new ATOM 0 HG3 LYS A 39 -19.492 -5.202 -4.666 1.00 14.43 H new ATOM 0 HD2 LYS A 39 -21.148 -3.974 -3.484 1.00 32.15 H new ATOM 0 HD3 LYS A 39 -20.732 -2.967 -4.857 1.00 32.15 H new ATOM 0 HE2 LYS A 39 -22.998 -4.929 -5.155 1.00 23.34 H new ATOM 0 HE3 LYS A 39 -23.274 -3.474 -4.218 1.00 23.34 H new ATOM 0 HZ1 LYS A 39 -23.477 -2.317 -6.079 1.00 52.40 H new ATOM 0 HZ2 LYS A 39 -21.937 -2.793 -6.615 1.00 52.40 H new ATOM 0 HZ3 LYS A 39 -23.296 -3.743 -6.984 1.00 52.40 H new ATOM 599 N GLU A 40 -18.817 -4.821 -9.450 1.00 4.34 N ATOM 600 CA GLU A 40 -18.894 -4.716 -10.902 1.00 14.51 C ATOM 601 C GLU A 40 -17.861 -5.619 -11.569 1.00 11.11 C ATOM 602 O GLU A 40 -18.129 -6.228 -12.606 1.00 2.51 O ATOM 603 CB GLU A 40 -18.681 -3.266 -11.343 1.00 2.13 C ATOM 604 CG GLU A 40 -19.636 -2.283 -10.687 1.00 31.24 C ATOM 605 CD GLU A 40 -21.001 -2.267 -11.348 1.00 3.54 C ATOM 606 OE1 GLU A 40 -21.076 -1.909 -12.542 1.00 73.50 O ATOM 607 OE2 GLU A 40 -21.992 -2.610 -10.671 1.00 55.12 O ATOM 0 H GLU A 40 -18.330 -4.048 -8.996 1.00 4.34 H new ATOM 0 HA GLU A 40 -19.888 -5.040 -11.211 1.00 14.51 H new ATOM 0 HB2 GLU A 40 -17.657 -2.972 -11.114 1.00 2.13 H new ATOM 0 HB3 GLU A 40 -18.796 -3.204 -12.425 1.00 2.13 H new ATOM 0 HG2 GLU A 40 -19.749 -2.540 -9.634 1.00 31.24 H new ATOM 0 HG3 GLU A 40 -19.205 -1.282 -10.726 1.00 31.24 H new ATOM 614 N LEU A 41 -16.680 -5.701 -10.967 1.00 44.23 N ATOM 615 CA LEU A 41 -15.604 -6.529 -11.502 1.00 74.12 C ATOM 616 C LEU A 41 -16.099 -7.942 -11.793 1.00 71.33 C ATOM 617 O LEU A 41 -15.647 -8.587 -12.739 1.00 11.22 O ATOM 618 CB LEU A 41 -14.434 -6.579 -10.518 1.00 54.31 C ATOM 619 CG LEU A 41 -13.317 -7.567 -10.853 1.00 62.03 C ATOM 620 CD1 LEU A 41 -12.942 -7.470 -12.324 1.00 71.31 C ATOM 621 CD2 LEU A 41 -12.101 -7.316 -9.974 1.00 2.54 C ATOM 0 H LEU A 41 -16.443 -5.204 -10.108 1.00 44.23 H new ATOM 0 HA LEU A 41 -15.265 -6.082 -12.437 1.00 74.12 H new ATOM 0 HB2 LEU A 41 -14.001 -5.581 -10.449 1.00 54.31 H new ATOM 0 HB3 LEU A 41 -14.826 -6.825 -9.531 1.00 54.31 H new ATOM 0 HG LEU A 41 -13.680 -8.576 -10.657 1.00 62.03 H new ATOM 0 HD11 LEU A 41 -12.145 -8.181 -12.544 1.00 71.31 H new ATOM 0 HD12 LEU A 41 -13.813 -7.700 -12.937 1.00 71.31 H new ATOM 0 HD13 LEU A 41 -12.598 -6.460 -12.546 1.00 71.31 H new ATOM 0 HD21 LEU A 41 -11.316 -8.029 -10.227 1.00 2.54 H new ATOM 0 HD22 LEU A 41 -11.737 -6.302 -10.138 1.00 2.54 H new ATOM 0 HD23 LEU A 41 -12.378 -7.437 -8.927 1.00 2.54 H new ATOM 633 N GLY A 42 -17.033 -8.418 -10.975 1.00 2.45 N ATOM 634 CA GLY A 42 -17.575 -9.751 -11.162 1.00 52.50 C ATOM 635 C GLY A 42 -18.226 -9.926 -12.520 1.00 25.11 C ATOM 636 O GLY A 42 -18.167 -11.005 -13.111 1.00 5.25 O ATOM 0 H GLY A 42 -17.424 -7.904 -10.186 1.00 2.45 H new ATOM 0 HA2 GLY A 42 -16.776 -10.484 -11.048 1.00 52.50 H new ATOM 0 HA3 GLY A 42 -18.308 -9.955 -10.382 1.00 52.50 H new ATOM 640 N LYS A 43 -18.850 -8.864 -13.017 1.00 2.31 N ATOM 641 CA LYS A 43 -19.515 -8.904 -14.314 1.00 12.23 C ATOM 642 C LYS A 43 -18.512 -9.167 -15.432 1.00 61.51 C ATOM 643 O LYS A 43 -18.818 -9.859 -16.404 1.00 3.42 O ATOM 644 CB LYS A 43 -20.250 -7.587 -14.574 1.00 34.13 C ATOM 645 CG LYS A 43 -19.414 -6.560 -15.318 1.00 34.22 C ATOM 646 CD LYS A 43 -20.073 -5.191 -15.307 1.00 11.05 C ATOM 647 CE LYS A 43 -19.651 -4.360 -16.508 1.00 54.34 C ATOM 648 NZ LYS A 43 -20.265 -3.003 -16.488 1.00 33.25 N ATOM 0 H LYS A 43 -18.909 -7.964 -12.541 1.00 2.31 H new ATOM 0 HA LYS A 43 -20.238 -9.720 -14.299 1.00 12.23 H new ATOM 0 HB2 LYS A 43 -21.154 -7.792 -15.148 1.00 34.13 H new ATOM 0 HB3 LYS A 43 -20.567 -7.163 -13.621 1.00 34.13 H new ATOM 0 HG2 LYS A 43 -18.427 -6.493 -14.861 1.00 34.22 H new ATOM 0 HG3 LYS A 43 -19.267 -6.886 -16.348 1.00 34.22 H new ATOM 0 HD2 LYS A 43 -21.157 -5.308 -15.307 1.00 11.05 H new ATOM 0 HD3 LYS A 43 -19.809 -4.666 -14.389 1.00 11.05 H new ATOM 0 HE2 LYS A 43 -18.565 -4.267 -16.522 1.00 54.34 H new ATOM 0 HE3 LYS A 43 -19.938 -4.875 -17.425 1.00 54.34 H new ATOM 0 HZ1 LYS A 43 -19.952 -2.468 -17.323 1.00 33.25 H new ATOM 0 HZ2 LYS A 43 -21.301 -3.091 -16.501 1.00 33.25 H new ATOM 0 HZ3 LYS A 43 -19.971 -2.501 -15.626 1.00 33.25 H new ATOM 662 N VAL A 44 -17.312 -8.613 -15.288 1.00 32.55 N ATOM 663 CA VAL A 44 -16.263 -8.791 -16.284 1.00 70.12 C ATOM 664 C VAL A 44 -15.809 -10.245 -16.351 1.00 40.11 C ATOM 665 O VAL A 44 -15.466 -10.750 -17.420 1.00 5.24 O ATOM 666 CB VAL A 44 -15.045 -7.898 -15.982 1.00 51.24 C ATOM 667 CG1 VAL A 44 -13.950 -8.120 -17.015 1.00 34.42 C ATOM 668 CG2 VAL A 44 -15.457 -6.434 -15.937 1.00 22.00 C ATOM 0 H VAL A 44 -17.043 -8.037 -14.491 1.00 32.55 H new ATOM 0 HA VAL A 44 -16.687 -8.501 -17.245 1.00 70.12 H new ATOM 0 HB VAL A 44 -14.649 -8.172 -15.004 1.00 51.24 H new ATOM 0 HG11 VAL A 44 -13.098 -7.480 -16.785 1.00 34.42 H new ATOM 0 HG12 VAL A 44 -13.636 -9.164 -16.994 1.00 34.42 H new ATOM 0 HG13 VAL A 44 -14.330 -7.875 -18.007 1.00 34.42 H new ATOM 0 HG21 VAL A 44 -14.584 -5.817 -15.723 1.00 22.00 H new ATOM 0 HG22 VAL A 44 -15.878 -6.145 -16.900 1.00 22.00 H new ATOM 0 HG23 VAL A 44 -16.204 -6.290 -15.156 1.00 22.00 H new ATOM 678 N MET A 45 -15.810 -10.913 -15.202 1.00 55.03 N ATOM 679 CA MET A 45 -15.400 -12.311 -15.131 1.00 11.51 C ATOM 680 C MET A 45 -16.141 -13.148 -16.168 1.00 71.41 C ATOM 681 O MET A 45 -15.612 -14.139 -16.672 1.00 61.03 O ATOM 682 CB MET A 45 -15.656 -12.869 -13.730 1.00 15.33 C ATOM 683 CG MET A 45 -15.109 -11.990 -12.616 1.00 71.52 C ATOM 684 SD MET A 45 -13.361 -11.606 -12.831 1.00 4.01 S ATOM 685 CE MET A 45 -12.717 -13.209 -13.306 1.00 13.30 C ATOM 0 H MET A 45 -16.090 -10.509 -14.308 1.00 55.03 H new ATOM 0 HA MET A 45 -14.332 -12.362 -15.345 1.00 11.51 H new ATOM 0 HB2 MET A 45 -16.729 -12.995 -13.589 1.00 15.33 H new ATOM 0 HB3 MET A 45 -15.206 -13.859 -13.654 1.00 15.33 H new ATOM 0 HG2 MET A 45 -15.679 -11.062 -12.578 1.00 71.52 H new ATOM 0 HG3 MET A 45 -15.252 -12.492 -11.659 1.00 71.52 H new ATOM 0 HE1 MET A 45 -11.730 -13.350 -12.865 1.00 13.30 H new ATOM 0 HE2 MET A 45 -13.388 -13.991 -12.950 1.00 13.30 H new ATOM 0 HE3 MET A 45 -12.641 -13.263 -14.392 1.00 13.30 H new ATOM 695 N ARG A 46 -17.368 -12.745 -16.482 1.00 1.45 N ATOM 696 CA ARG A 46 -18.181 -13.460 -17.457 1.00 55.45 C ATOM 697 C ARG A 46 -17.557 -13.381 -18.848 1.00 14.23 C ATOM 698 O ARG A 46 -17.583 -14.350 -19.606 1.00 10.40 O ATOM 699 CB ARG A 46 -19.599 -12.885 -17.490 1.00 31.52 C ATOM 700 CG ARG A 46 -20.244 -12.779 -16.118 1.00 15.11 C ATOM 701 CD ARG A 46 -21.667 -12.249 -16.211 1.00 3.41 C ATOM 702 NE ARG A 46 -22.254 -12.024 -14.893 1.00 13.30 N ATOM 703 CZ ARG A 46 -23.366 -11.324 -14.694 1.00 21.34 C ATOM 704 NH1 ARG A 46 -24.007 -10.785 -15.721 1.00 40.02 N ATOM 705 NH2 ARG A 46 -23.839 -11.164 -13.464 1.00 44.22 N ATOM 0 H ARG A 46 -17.821 -11.927 -16.075 1.00 1.45 H new ATOM 0 HA ARG A 46 -18.227 -14.507 -17.157 1.00 55.45 H new ATOM 0 HB2 ARG A 46 -19.570 -11.896 -17.946 1.00 31.52 H new ATOM 0 HB3 ARG A 46 -20.222 -13.512 -18.128 1.00 31.52 H new ATOM 0 HG2 ARG A 46 -20.250 -13.759 -15.641 1.00 15.11 H new ATOM 0 HG3 ARG A 46 -19.650 -12.120 -15.485 1.00 15.11 H new ATOM 0 HD2 ARG A 46 -21.670 -11.315 -16.773 1.00 3.41 H new ATOM 0 HD3 ARG A 46 -22.282 -12.957 -16.766 1.00 3.41 H new ATOM 0 HE ARG A 46 -21.785 -12.426 -14.081 1.00 13.30 H new ATOM 0 HH11 ARG A 46 -23.647 -10.907 -16.668 1.00 40.02 H new ATOM 0 HH12 ARG A 46 -24.860 -10.248 -15.565 1.00 40.02 H new ATOM 0 HH21 ARG A 46 -23.349 -11.578 -12.671 1.00 44.22 H new ATOM 0 HH22 ARG A 46 -24.692 -10.627 -13.312 1.00 44.22 H new ATOM 719 N MET A 47 -16.998 -12.220 -19.175 1.00 31.34 N ATOM 720 CA MET A 47 -16.367 -12.016 -20.473 1.00 50.43 C ATOM 721 C MET A 47 -15.124 -12.888 -20.617 1.00 3.50 C ATOM 722 O MET A 47 -14.831 -13.396 -21.700 1.00 51.43 O ATOM 723 CB MET A 47 -15.996 -10.543 -20.657 1.00 44.03 C ATOM 724 CG MET A 47 -17.149 -9.588 -20.395 1.00 4.04 C ATOM 725 SD MET A 47 -17.001 -8.049 -21.322 1.00 5.43 S ATOM 726 CE MET A 47 -17.894 -8.467 -22.817 1.00 1.42 C ATOM 0 H MET A 47 -16.969 -11.407 -18.559 1.00 31.34 H new ATOM 0 HA MET A 47 -17.081 -12.303 -21.245 1.00 50.43 H new ATOM 0 HB2 MET A 47 -15.173 -10.298 -19.986 1.00 44.03 H new ATOM 0 HB3 MET A 47 -15.634 -10.392 -21.674 1.00 44.03 H new ATOM 0 HG2 MET A 47 -18.087 -10.077 -20.657 1.00 4.04 H new ATOM 0 HG3 MET A 47 -17.194 -9.363 -19.329 1.00 4.04 H new ATOM 0 HE1 MET A 47 -17.891 -7.612 -23.494 1.00 1.42 H new ATOM 0 HE2 MET A 47 -17.413 -9.316 -23.303 1.00 1.42 H new ATOM 0 HE3 MET A 47 -18.922 -8.727 -22.566 1.00 1.42 H new ATOM 736 N LEU A 48 -14.395 -13.057 -19.519 1.00 52.31 N ATOM 737 CA LEU A 48 -13.182 -13.867 -19.523 1.00 34.41 C ATOM 738 C LEU A 48 -13.515 -15.344 -19.709 1.00 33.31 C ATOM 739 O LEU A 48 -12.679 -16.128 -20.156 1.00 71.11 O ATOM 740 CB LEU A 48 -12.408 -13.668 -18.219 1.00 43.31 C ATOM 741 CG LEU A 48 -11.603 -12.372 -18.108 1.00 61.33 C ATOM 742 CD1 LEU A 48 -10.636 -12.243 -19.275 1.00 54.23 C ATOM 743 CD2 LEU A 48 -12.534 -11.170 -18.048 1.00 44.21 C ATOM 0 H LEU A 48 -14.623 -12.644 -18.615 1.00 52.31 H new ATOM 0 HA LEU A 48 -12.562 -13.545 -20.359 1.00 34.41 H new ATOM 0 HB2 LEU A 48 -13.115 -13.705 -17.391 1.00 43.31 H new ATOM 0 HB3 LEU A 48 -11.725 -14.508 -18.093 1.00 43.31 H new ATOM 0 HG LEU A 48 -11.024 -12.404 -17.185 1.00 61.33 H new ATOM 0 HD11 LEU A 48 -10.072 -11.315 -19.179 1.00 54.23 H new ATOM 0 HD12 LEU A 48 -9.948 -13.088 -19.272 1.00 54.23 H new ATOM 0 HD13 LEU A 48 -11.195 -12.233 -20.211 1.00 54.23 H new ATOM 0 HD21 LEU A 48 -11.944 -10.257 -17.969 1.00 44.21 H new ATOM 0 HD22 LEU A 48 -13.140 -11.134 -18.953 1.00 44.21 H new ATOM 0 HD23 LEU A 48 -13.185 -11.257 -17.178 1.00 44.21 H new ATOM 755 N GLY A 49 -14.744 -15.717 -19.364 1.00 52.11 N ATOM 756 CA GLY A 49 -15.167 -17.098 -19.502 1.00 63.42 C ATOM 757 C GLY A 49 -15.150 -17.845 -18.183 1.00 3.52 C ATOM 758 O GLY A 49 -15.139 -19.075 -18.159 1.00 43.11 O ATOM 0 H GLY A 49 -15.454 -15.087 -18.991 1.00 52.11 H new ATOM 0 HA2 GLY A 49 -16.174 -17.126 -19.919 1.00 63.42 H new ATOM 0 HA3 GLY A 49 -14.514 -17.606 -20.212 1.00 63.42 H new ATOM 762 N GLN A 50 -15.146 -17.098 -17.083 1.00 22.42 N ATOM 763 CA GLN A 50 -15.127 -17.698 -15.754 1.00 13.02 C ATOM 764 C GLN A 50 -16.180 -17.059 -14.854 1.00 21.22 C ATOM 765 O GLN A 50 -16.621 -15.937 -15.098 1.00 72.33 O ATOM 766 CB GLN A 50 -13.742 -17.549 -15.123 1.00 44.13 C ATOM 767 CG GLN A 50 -12.658 -18.336 -15.842 1.00 71.33 C ATOM 768 CD GLN A 50 -11.430 -18.559 -14.982 1.00 32.23 C ATOM 769 OE1 GLN A 50 -11.022 -19.696 -14.745 1.00 64.54 O ATOM 770 NE2 GLN A 50 -10.834 -17.472 -14.508 1.00 2.43 N ATOM 0 H GLN A 50 -15.156 -16.078 -17.086 1.00 22.42 H new ATOM 0 HA GLN A 50 -15.358 -18.758 -15.858 1.00 13.02 H new ATOM 0 HB2 GLN A 50 -13.468 -16.494 -15.114 1.00 44.13 H new ATOM 0 HB3 GLN A 50 -13.788 -17.876 -14.084 1.00 44.13 H new ATOM 0 HG2 GLN A 50 -13.060 -19.301 -16.152 1.00 71.33 H new ATOM 0 HG3 GLN A 50 -12.370 -17.805 -16.749 1.00 71.33 H new ATOM 0 HE21 GLN A 50 -11.206 -16.549 -14.730 1.00 2.43 H new ATOM 0 HE22 GLN A 50 -10.004 -17.560 -13.922 1.00 2.43 H new ATOM 779 N ASN A 51 -16.578 -17.782 -13.812 1.00 21.11 N ATOM 780 CA ASN A 51 -17.580 -17.286 -12.875 1.00 42.04 C ATOM 781 C ASN A 51 -17.191 -17.616 -11.438 1.00 34.55 C ATOM 782 O ASN A 51 -17.845 -18.408 -10.758 1.00 32.01 O ATOM 783 CB ASN A 51 -18.950 -17.887 -13.196 1.00 41.34 C ATOM 784 CG ASN A 51 -20.022 -17.433 -12.225 1.00 31.24 C ATOM 785 OD1 ASN A 51 -20.355 -16.250 -12.158 1.00 4.22 O ATOM 786 ND2 ASN A 51 -20.569 -18.375 -11.465 1.00 25.41 N ATOM 0 H ASN A 51 -16.222 -18.713 -13.595 1.00 21.11 H new ATOM 0 HA ASN A 51 -17.633 -16.202 -12.978 1.00 42.04 H new ATOM 0 HB2 ASN A 51 -19.239 -17.606 -14.209 1.00 41.34 H new ATOM 0 HB3 ASN A 51 -18.881 -18.975 -13.174 1.00 41.34 H new ATOM 0 HD21 ASN A 51 -21.296 -18.130 -10.793 1.00 25.41 H new ATOM 0 HD22 ASN A 51 -20.262 -19.344 -11.554 1.00 25.41 H new ATOM 793 N PRO A 52 -16.102 -16.996 -10.961 1.00 43.05 N ATOM 794 CA PRO A 52 -15.602 -17.207 -9.600 1.00 20.33 C ATOM 795 C PRO A 52 -16.525 -16.608 -8.544 1.00 43.20 C ATOM 796 O PRO A 52 -17.552 -16.012 -8.868 1.00 55.23 O ATOM 797 CB PRO A 52 -14.252 -16.486 -9.601 1.00 62.14 C ATOM 798 CG PRO A 52 -14.378 -15.448 -10.663 1.00 21.41 C ATOM 799 CD PRO A 52 -15.274 -16.040 -11.716 1.00 1.12 C ATOM 0 HA PRO A 52 -15.534 -18.266 -9.351 1.00 20.33 H new ATOM 0 HB2 PRO A 52 -14.043 -16.036 -8.630 1.00 62.14 H new ATOM 0 HB3 PRO A 52 -13.435 -17.175 -9.816 1.00 62.14 H new ATOM 0 HG2 PRO A 52 -14.803 -14.528 -10.261 1.00 21.41 H new ATOM 0 HG3 PRO A 52 -13.403 -15.194 -11.078 1.00 21.41 H new ATOM 0 HD2 PRO A 52 -15.883 -15.277 -12.201 1.00 1.12 H new ATOM 0 HD3 PRO A 52 -14.701 -16.536 -12.499 1.00 1.12 H new ATOM 807 N THR A 53 -16.152 -16.769 -7.278 1.00 44.41 N ATOM 808 CA THR A 53 -16.946 -16.244 -6.175 1.00 1.14 C ATOM 809 C THR A 53 -16.683 -14.757 -5.966 1.00 50.13 C ATOM 810 O THR A 53 -15.565 -14.270 -6.135 1.00 40.14 O ATOM 811 CB THR A 53 -16.650 -16.995 -4.863 1.00 1.34 C ATOM 812 OG1 THR A 53 -17.607 -16.629 -3.862 1.00 44.51 O ATOM 813 CG2 THR A 53 -15.246 -16.684 -4.367 1.00 23.45 C ATOM 0 H THR A 53 -15.305 -17.259 -6.992 1.00 44.41 H new ATOM 0 HA THR A 53 -17.993 -16.391 -6.442 1.00 1.14 H new ATOM 0 HB THR A 53 -16.721 -18.065 -5.059 1.00 1.34 H new ATOM 0 HG1 THR A 53 -17.413 -17.112 -3.032 1.00 44.51 H new ATOM 0 HG21 THR A 53 -15.060 -17.225 -3.440 1.00 23.45 H new ATOM 0 HG22 THR A 53 -14.518 -16.990 -5.119 1.00 23.45 H new ATOM 0 HG23 THR A 53 -15.153 -15.613 -4.187 1.00 23.45 H new ATOM 821 N PRO A 54 -17.736 -14.016 -5.590 1.00 22.14 N ATOM 822 CA PRO A 54 -17.643 -12.573 -5.349 1.00 22.13 C ATOM 823 C PRO A 54 -16.839 -12.245 -4.095 1.00 72.20 C ATOM 824 O PRO A 54 -16.151 -11.227 -4.037 1.00 55.40 O ATOM 825 CB PRO A 54 -19.103 -12.148 -5.174 1.00 41.24 C ATOM 826 CG PRO A 54 -19.803 -13.378 -4.709 1.00 2.21 C ATOM 827 CD PRO A 54 -19.098 -14.530 -5.369 1.00 60.32 C ATOM 0 HA PRO A 54 -17.128 -12.057 -6.160 1.00 22.13 H new ATOM 0 HB2 PRO A 54 -19.196 -11.341 -4.447 1.00 41.24 H new ATOM 0 HB3 PRO A 54 -19.524 -11.783 -6.111 1.00 41.24 H new ATOM 0 HG2 PRO A 54 -19.760 -13.465 -3.623 1.00 2.21 H new ATOM 0 HG3 PRO A 54 -20.857 -13.355 -4.986 1.00 2.21 H new ATOM 0 HD2 PRO A 54 -19.095 -15.416 -4.734 1.00 60.32 H new ATOM 0 HD3 PRO A 54 -19.578 -14.811 -6.306 1.00 60.32 H new ATOM 835 N GLU A 55 -16.931 -13.116 -3.094 1.00 50.53 N ATOM 836 CA GLU A 55 -16.212 -12.917 -1.841 1.00 42.45 C ATOM 837 C GLU A 55 -14.705 -12.885 -2.078 1.00 63.04 C ATOM 838 O GLU A 55 -13.978 -12.143 -1.418 1.00 53.25 O ATOM 839 CB GLU A 55 -16.560 -14.026 -0.846 1.00 44.34 C ATOM 840 CG GLU A 55 -17.979 -13.940 -0.311 1.00 71.12 C ATOM 841 CD GLU A 55 -18.362 -12.533 0.104 1.00 54.15 C ATOM 842 OE1 GLU A 55 -17.928 -12.096 1.190 1.00 61.10 O ATOM 843 OE2 GLU A 55 -19.097 -11.869 -0.657 1.00 45.34 O ATOM 0 H GLU A 55 -17.496 -13.965 -3.127 1.00 50.53 H new ATOM 0 HA GLU A 55 -16.517 -11.957 -1.425 1.00 42.45 H new ATOM 0 HB2 GLU A 55 -16.421 -14.993 -1.329 1.00 44.34 H new ATOM 0 HB3 GLU A 55 -15.862 -13.984 -0.010 1.00 44.34 H new ATOM 0 HG2 GLU A 55 -18.673 -14.291 -1.075 1.00 71.12 H new ATOM 0 HG3 GLU A 55 -18.082 -14.608 0.544 1.00 71.12 H new ATOM 850 N GLU A 56 -14.243 -13.697 -3.025 1.00 11.33 N ATOM 851 CA GLU A 56 -12.823 -13.763 -3.347 1.00 43.45 C ATOM 852 C GLU A 56 -12.353 -12.466 -4.001 1.00 64.55 C ATOM 853 O GLU A 56 -11.268 -11.965 -3.704 1.00 24.25 O ATOM 854 CB GLU A 56 -12.542 -14.946 -4.276 1.00 33.11 C ATOM 855 CG GLU A 56 -11.073 -15.108 -4.629 1.00 54.12 C ATOM 856 CD GLU A 56 -10.366 -16.110 -3.738 1.00 1.13 C ATOM 857 OE1 GLU A 56 -10.585 -16.070 -2.509 1.00 71.30 O ATOM 858 OE2 GLU A 56 -9.593 -16.934 -4.270 1.00 20.34 O ATOM 0 H GLU A 56 -14.831 -14.317 -3.581 1.00 11.33 H new ATOM 0 HA GLU A 56 -12.272 -13.902 -2.417 1.00 43.45 H new ATOM 0 HB2 GLU A 56 -12.896 -15.861 -3.802 1.00 33.11 H new ATOM 0 HB3 GLU A 56 -13.116 -14.820 -5.194 1.00 33.11 H new ATOM 0 HG2 GLU A 56 -10.986 -15.426 -5.668 1.00 54.12 H new ATOM 0 HG3 GLU A 56 -10.575 -14.142 -4.549 1.00 54.12 H new ATOM 865 N LEU A 57 -13.176 -11.929 -4.895 1.00 31.14 N ATOM 866 CA LEU A 57 -12.846 -10.691 -5.592 1.00 62.45 C ATOM 867 C LEU A 57 -12.414 -9.609 -4.608 1.00 33.54 C ATOM 868 O LEU A 57 -11.327 -9.047 -4.727 1.00 45.34 O ATOM 869 CB LEU A 57 -14.046 -10.206 -6.407 1.00 71.11 C ATOM 870 CG LEU A 57 -14.592 -11.186 -7.446 1.00 53.23 C ATOM 871 CD1 LEU A 57 -15.925 -10.697 -7.992 1.00 42.14 C ATOM 872 CD2 LEU A 57 -13.590 -11.380 -8.575 1.00 11.40 C ATOM 0 H LEU A 57 -14.077 -12.332 -5.154 1.00 31.14 H new ATOM 0 HA LEU A 57 -12.014 -10.894 -6.267 1.00 62.45 H new ATOM 0 HB2 LEU A 57 -14.851 -9.954 -5.716 1.00 71.11 H new ATOM 0 HB3 LEU A 57 -13.764 -9.285 -6.918 1.00 71.11 H new ATOM 0 HG LEU A 57 -14.752 -12.149 -6.960 1.00 53.23 H new ATOM 0 HD11 LEU A 57 -16.298 -11.407 -8.730 1.00 42.14 H new ATOM 0 HD12 LEU A 57 -16.643 -10.611 -7.176 1.00 42.14 H new ATOM 0 HD13 LEU A 57 -15.790 -9.723 -8.462 1.00 42.14 H new ATOM 0 HD21 LEU A 57 -13.996 -12.081 -9.305 1.00 11.40 H new ATOM 0 HD22 LEU A 57 -13.397 -10.423 -9.059 1.00 11.40 H new ATOM 0 HD23 LEU A 57 -12.658 -11.776 -8.171 1.00 11.40 H new ATOM 884 N GLN A 58 -13.274 -9.326 -3.634 1.00 25.11 N ATOM 885 CA GLN A 58 -12.980 -8.313 -2.627 1.00 43.24 C ATOM 886 C GLN A 58 -11.828 -8.754 -1.731 1.00 22.43 C ATOM 887 O GLN A 58 -11.134 -7.925 -1.143 1.00 61.22 O ATOM 888 CB GLN A 58 -14.222 -8.030 -1.780 1.00 44.14 C ATOM 889 CG GLN A 58 -13.934 -7.208 -0.534 1.00 62.13 C ATOM 890 CD GLN A 58 -13.408 -5.823 -0.857 1.00 71.31 C ATOM 891 OE1 GLN A 58 -14.071 -5.037 -1.535 1.00 20.34 O ATOM 892 NE2 GLN A 58 -12.210 -5.517 -0.372 1.00 54.44 N ATOM 0 H GLN A 58 -14.179 -9.783 -3.521 1.00 25.11 H new ATOM 0 HA GLN A 58 -12.685 -7.399 -3.143 1.00 43.24 H new ATOM 0 HB2 GLN A 58 -14.956 -7.504 -2.391 1.00 44.14 H new ATOM 0 HB3 GLN A 58 -14.673 -8.977 -1.484 1.00 44.14 H new ATOM 0 HG2 GLN A 58 -14.846 -7.118 0.056 1.00 62.13 H new ATOM 0 HG3 GLN A 58 -13.206 -7.734 0.083 1.00 62.13 H new ATOM 0 HE21 GLN A 58 -11.696 -6.199 0.185 1.00 54.44 H new ATOM 0 HE22 GLN A 58 -11.804 -4.600 -0.557 1.00 54.44 H new ATOM 901 N GLU A 59 -11.631 -10.065 -1.630 1.00 72.34 N ATOM 902 CA GLU A 59 -10.564 -10.616 -0.804 1.00 4.13 C ATOM 903 C GLU A 59 -9.200 -10.111 -1.268 1.00 74.44 C ATOM 904 O GLU A 59 -8.422 -9.579 -0.478 1.00 42.12 O ATOM 905 CB GLU A 59 -10.594 -12.145 -0.844 1.00 34.22 C ATOM 906 CG GLU A 59 -9.974 -12.799 0.379 1.00 3.24 C ATOM 907 CD GLU A 59 -9.708 -14.278 0.179 1.00 64.04 C ATOM 908 OE1 GLU A 59 -9.078 -14.635 -0.839 1.00 22.53 O ATOM 909 OE2 GLU A 59 -10.129 -15.078 1.040 1.00 73.32 O ATOM 0 H GLU A 59 -12.197 -10.765 -2.110 1.00 72.34 H new ATOM 0 HA GLU A 59 -10.726 -10.284 0.221 1.00 4.13 H new ATOM 0 HB2 GLU A 59 -11.628 -12.477 -0.938 1.00 34.22 H new ATOM 0 HB3 GLU A 59 -10.067 -12.487 -1.735 1.00 34.22 H new ATOM 0 HG2 GLU A 59 -9.038 -12.295 0.621 1.00 3.24 H new ATOM 0 HG3 GLU A 59 -10.638 -12.665 1.233 1.00 3.24 H new ATOM 916 N MET A 60 -8.920 -10.284 -2.556 1.00 23.11 N ATOM 917 CA MET A 60 -7.651 -9.846 -3.126 1.00 51.14 C ATOM 918 C MET A 60 -7.564 -8.323 -3.154 1.00 32.25 C ATOM 919 O MET A 60 -6.506 -7.748 -2.896 1.00 71.35 O ATOM 920 CB MET A 60 -7.484 -10.403 -4.541 1.00 73.14 C ATOM 921 CG MET A 60 -7.844 -11.875 -4.661 1.00 73.13 C ATOM 922 SD MET A 60 -7.074 -12.665 -6.087 1.00 42.24 S ATOM 923 CE MET A 60 -7.217 -14.392 -5.637 1.00 35.24 C ATOM 0 H MET A 60 -9.554 -10.724 -3.224 1.00 23.11 H new ATOM 0 HA MET A 60 -6.848 -10.227 -2.495 1.00 51.14 H new ATOM 0 HB2 MET A 60 -8.108 -9.828 -5.225 1.00 73.14 H new ATOM 0 HB3 MET A 60 -6.451 -10.263 -4.858 1.00 73.14 H new ATOM 0 HG2 MET A 60 -7.538 -12.395 -3.753 1.00 73.13 H new ATOM 0 HG3 MET A 60 -8.927 -11.975 -4.736 1.00 73.13 H new ATOM 0 HE1 MET A 60 -6.783 -15.010 -6.423 1.00 35.24 H new ATOM 0 HE2 MET A 60 -6.686 -14.569 -4.702 1.00 35.24 H new ATOM 0 HE3 MET A 60 -8.269 -14.650 -5.512 1.00 35.24 H new ATOM 933 N ILE A 61 -8.682 -7.677 -3.466 1.00 51.23 N ATOM 934 CA ILE A 61 -8.731 -6.221 -3.526 1.00 31.22 C ATOM 935 C ILE A 61 -8.413 -5.605 -2.168 1.00 1.41 C ATOM 936 O ILE A 61 -7.971 -4.459 -2.083 1.00 41.43 O ATOM 937 CB ILE A 61 -10.112 -5.723 -3.992 1.00 63.05 C ATOM 938 CG1 ILE A 61 -10.348 -6.105 -5.455 1.00 34.30 C ATOM 939 CG2 ILE A 61 -10.221 -4.217 -3.809 1.00 11.33 C ATOM 940 CD1 ILE A 61 -11.693 -5.661 -5.986 1.00 14.14 C ATOM 0 H ILE A 61 -9.566 -8.138 -3.681 1.00 51.23 H new ATOM 0 HA ILE A 61 -7.978 -5.909 -4.250 1.00 31.22 H new ATOM 0 HB ILE A 61 -10.879 -6.200 -3.382 1.00 63.05 H new ATOM 0 HG12 ILE A 61 -9.561 -5.666 -6.068 1.00 34.30 H new ATOM 0 HG13 ILE A 61 -10.265 -7.187 -5.557 1.00 34.30 H new ATOM 0 HG21 ILE A 61 -11.202 -3.880 -4.143 1.00 11.33 H new ATOM 0 HG22 ILE A 61 -10.091 -3.968 -2.756 1.00 11.33 H new ATOM 0 HG23 ILE A 61 -9.448 -3.722 -4.397 1.00 11.33 H new ATOM 0 HD11 ILE A 61 -11.791 -5.965 -7.028 1.00 14.14 H new ATOM 0 HD12 ILE A 61 -12.487 -6.121 -5.397 1.00 14.14 H new ATOM 0 HD13 ILE A 61 -11.772 -4.576 -5.916 1.00 14.14 H new ATOM 952 N ASP A 62 -8.639 -6.373 -1.108 1.00 11.30 N ATOM 953 CA ASP A 62 -8.374 -5.903 0.247 1.00 21.40 C ATOM 954 C ASP A 62 -6.878 -5.704 0.470 1.00 20.11 C ATOM 955 O ASP A 62 -6.443 -4.640 0.908 1.00 50.41 O ATOM 956 CB ASP A 62 -8.927 -6.896 1.271 1.00 51.12 C ATOM 957 CG ASP A 62 -8.851 -6.367 2.690 1.00 62.14 C ATOM 958 OD1 ASP A 62 -7.799 -6.553 3.336 1.00 20.50 O ATOM 959 OD2 ASP A 62 -9.843 -5.768 3.154 1.00 53.51 O ATOM 0 H ASP A 62 -9.005 -7.324 -1.161 1.00 11.30 H new ATOM 0 HA ASP A 62 -8.873 -4.943 0.377 1.00 21.40 H new ATOM 0 HB2 ASP A 62 -9.964 -7.125 1.027 1.00 51.12 H new ATOM 0 HB3 ASP A 62 -8.370 -7.830 1.204 1.00 51.12 H new ATOM 964 N GLU A 63 -6.097 -6.736 0.167 1.00 61.22 N ATOM 965 CA GLU A 63 -4.650 -6.674 0.337 1.00 61.14 C ATOM 966 C GLU A 63 -4.019 -5.757 -0.707 1.00 3.43 C ATOM 967 O GLU A 63 -2.920 -5.237 -0.509 1.00 53.34 O ATOM 968 CB GLU A 63 -4.042 -8.074 0.235 1.00 24.41 C ATOM 969 CG GLU A 63 -3.386 -8.548 1.522 1.00 52.15 C ATOM 970 CD GLU A 63 -3.777 -9.967 1.888 1.00 52.53 C ATOM 971 OE1 GLU A 63 -3.459 -10.890 1.109 1.00 14.24 O ATOM 972 OE2 GLU A 63 -4.401 -10.153 2.953 1.00 11.14 O ATOM 0 H GLU A 63 -6.442 -7.624 -0.197 1.00 61.22 H new ATOM 0 HA GLU A 63 -4.443 -6.267 1.327 1.00 61.14 H new ATOM 0 HB2 GLU A 63 -4.823 -8.780 -0.047 1.00 24.41 H new ATOM 0 HB3 GLU A 63 -3.301 -8.082 -0.565 1.00 24.41 H new ATOM 0 HG2 GLU A 63 -2.303 -8.489 1.416 1.00 52.15 H new ATOM 0 HG3 GLU A 63 -3.664 -7.877 2.335 1.00 52.15 H new ATOM 979 N VAL A 64 -4.721 -5.563 -1.818 1.00 52.24 N ATOM 980 CA VAL A 64 -4.231 -4.708 -2.893 1.00 71.33 C ATOM 981 C VAL A 64 -4.491 -3.237 -2.588 1.00 73.41 C ATOM 982 O VAL A 64 -3.596 -2.401 -2.704 1.00 44.24 O ATOM 983 CB VAL A 64 -4.889 -5.066 -4.239 1.00 71.22 C ATOM 984 CG1 VAL A 64 -4.444 -4.099 -5.325 1.00 41.14 C ATOM 985 CG2 VAL A 64 -4.564 -6.501 -4.626 1.00 20.23 C ATOM 0 H VAL A 64 -5.631 -5.986 -1.998 1.00 52.24 H new ATOM 0 HA VAL A 64 -3.157 -4.876 -2.966 1.00 71.33 H new ATOM 0 HB VAL A 64 -5.970 -4.979 -4.129 1.00 71.22 H new ATOM 0 HG11 VAL A 64 -4.919 -4.368 -6.268 1.00 41.14 H new ATOM 0 HG12 VAL A 64 -4.733 -3.085 -5.049 1.00 41.14 H new ATOM 0 HG13 VAL A 64 -3.361 -4.150 -5.437 1.00 41.14 H new ATOM 0 HG21 VAL A 64 -5.037 -6.737 -5.579 1.00 20.23 H new ATOM 0 HG22 VAL A 64 -3.484 -6.617 -4.718 1.00 20.23 H new ATOM 0 HG23 VAL A 64 -4.938 -7.178 -3.858 1.00 20.23 H new ATOM 995 N ASP A 65 -5.723 -2.929 -2.197 1.00 22.22 N ATOM 996 CA ASP A 65 -6.102 -1.559 -1.873 1.00 5.31 C ATOM 997 C ASP A 65 -5.321 -1.050 -0.665 1.00 64.11 C ATOM 998 O ASP A 65 -5.607 -1.423 0.472 1.00 2.41 O ATOM 999 CB ASP A 65 -7.604 -1.474 -1.597 1.00 45.42 C ATOM 1000 CG ASP A 65 -8.161 -0.087 -1.852 1.00 74.25 C ATOM 1001 OD1 ASP A 65 -7.383 0.887 -1.787 1.00 42.33 O ATOM 1002 OD2 ASP A 65 -9.376 0.023 -2.118 1.00 54.23 O ATOM 0 H ASP A 65 -6.476 -3.610 -2.097 1.00 22.22 H new ATOM 0 HA ASP A 65 -5.862 -0.930 -2.730 1.00 5.31 H new ATOM 0 HB2 ASP A 65 -8.128 -2.194 -2.226 1.00 45.42 H new ATOM 0 HB3 ASP A 65 -7.797 -1.755 -0.562 1.00 45.42 H new ATOM 1007 N GLU A 66 -4.333 -0.198 -0.921 1.00 62.14 N ATOM 1008 CA GLU A 66 -3.510 0.359 0.145 1.00 2.54 C ATOM 1009 C GLU A 66 -4.335 1.270 1.050 1.00 52.22 C ATOM 1010 O GLU A 66 -4.163 1.274 2.269 1.00 62.32 O ATOM 1011 CB GLU A 66 -2.332 1.139 -0.443 1.00 61.23 C ATOM 1012 CG GLU A 66 -2.752 2.285 -1.348 1.00 2.33 C ATOM 1013 CD GLU A 66 -2.918 3.591 -0.595 1.00 54.21 C ATOM 1014 OE1 GLU A 66 -2.793 3.581 0.647 1.00 35.32 O ATOM 1015 OE2 GLU A 66 -3.173 4.624 -1.249 1.00 75.15 O ATOM 0 H GLU A 66 -4.084 0.121 -1.857 1.00 62.14 H new ATOM 0 HA GLU A 66 -3.127 -0.468 0.742 1.00 2.54 H new ATOM 0 HB2 GLU A 66 -1.726 1.534 0.372 1.00 61.23 H new ATOM 0 HB3 GLU A 66 -1.699 0.454 -1.008 1.00 61.23 H new ATOM 0 HG2 GLU A 66 -2.007 2.415 -2.133 1.00 2.33 H new ATOM 0 HG3 GLU A 66 -3.692 2.030 -1.838 1.00 2.33 H new ATOM 1022 N ASP A 67 -5.231 2.041 0.444 1.00 52.22 N ATOM 1023 CA ASP A 67 -6.084 2.956 1.193 1.00 13.21 C ATOM 1024 C ASP A 67 -7.429 2.309 1.510 1.00 1.21 C ATOM 1025 O ASP A 67 -8.233 2.861 2.260 1.00 75.04 O ATOM 1026 CB ASP A 67 -6.300 4.249 0.404 1.00 65.51 C ATOM 1027 CG ASP A 67 -7.406 4.121 -0.624 1.00 52.35 C ATOM 1028 OD1 ASP A 67 -7.174 3.479 -1.670 1.00 60.21 O ATOM 1029 OD2 ASP A 67 -8.505 4.664 -0.383 1.00 63.54 O ATOM 0 H ASP A 67 -5.385 2.051 -0.564 1.00 52.22 H new ATOM 0 HA ASP A 67 -5.584 3.192 2.132 1.00 13.21 H new ATOM 0 HB2 ASP A 67 -6.542 5.057 1.095 1.00 65.51 H new ATOM 0 HB3 ASP A 67 -5.372 4.525 -0.097 1.00 65.51 H new ATOM 1034 N GLY A 68 -7.666 1.135 0.933 1.00 40.13 N ATOM 1035 CA GLY A 68 -8.915 0.433 1.165 1.00 65.11 C ATOM 1036 C GLY A 68 -10.127 1.298 0.884 1.00 72.21 C ATOM 1037 O GLY A 68 -11.031 1.400 1.713 1.00 30.23 O ATOM 0 H GLY A 68 -7.016 0.657 0.309 1.00 40.13 H new ATOM 0 HA2 GLY A 68 -8.952 -0.455 0.534 1.00 65.11 H new ATOM 0 HA3 GLY A 68 -8.949 0.090 2.199 1.00 65.11 H new ATOM 1041 N SER A 69 -10.147 1.924 -0.288 1.00 63.14 N ATOM 1042 CA SER A 69 -11.255 2.789 -0.674 1.00 51.35 C ATOM 1043 C SER A 69 -12.469 1.964 -1.090 1.00 14.13 C ATOM 1044 O SER A 69 -13.584 2.478 -1.171 1.00 74.54 O ATOM 1045 CB SER A 69 -10.835 3.711 -1.821 1.00 3.34 C ATOM 1046 OG SER A 69 -9.660 3.235 -2.454 1.00 22.14 O ATOM 0 H SER A 69 -9.408 1.848 -0.987 1.00 63.14 H new ATOM 0 HA SER A 69 -11.527 3.395 0.190 1.00 51.35 H new ATOM 0 HB2 SER A 69 -11.642 3.780 -2.550 1.00 3.34 H new ATOM 0 HB3 SER A 69 -10.664 4.717 -1.439 1.00 3.34 H new ATOM 0 HG SER A 69 -9.413 3.841 -3.184 1.00 22.14 H new ATOM 1052 N GLY A 70 -12.243 0.680 -1.351 1.00 53.24 N ATOM 1053 CA GLY A 70 -13.327 -0.197 -1.755 1.00 40.53 C ATOM 1054 C GLY A 70 -13.304 -0.501 -3.240 1.00 25.31 C ATOM 1055 O GLY A 70 -14.147 -1.244 -3.743 1.00 55.21 O ATOM 0 H GLY A 70 -11.329 0.231 -1.290 1.00 53.24 H new ATOM 0 HA2 GLY A 70 -13.263 -1.130 -1.195 1.00 40.53 H new ATOM 0 HA3 GLY A 70 -14.280 0.265 -1.497 1.00 40.53 H new ATOM 1059 N THR A 71 -12.335 0.074 -3.946 1.00 1.34 N ATOM 1060 CA THR A 71 -12.206 -0.137 -5.382 1.00 35.22 C ATOM 1061 C THR A 71 -10.743 -0.153 -5.807 1.00 25.25 C ATOM 1062 O THR A 71 -9.858 0.223 -5.037 1.00 53.11 O ATOM 1063 CB THR A 71 -12.948 0.952 -6.179 1.00 15.43 C ATOM 1064 OG1 THR A 71 -12.226 2.187 -6.111 1.00 23.31 O ATOM 1065 CG2 THR A 71 -14.357 1.153 -5.639 1.00 44.11 C ATOM 0 H THR A 71 -11.628 0.690 -3.546 1.00 1.34 H new ATOM 0 HA THR A 71 -12.655 -1.106 -5.600 1.00 35.22 H new ATOM 0 HB THR A 71 -13.016 0.628 -7.217 1.00 15.43 H new ATOM 0 HG1 THR A 71 -12.856 2.928 -5.995 1.00 23.31 H new ATOM 0 HG21 THR A 71 -14.861 1.927 -6.218 1.00 44.11 H new ATOM 0 HG22 THR A 71 -14.914 0.219 -5.719 1.00 44.11 H new ATOM 0 HG23 THR A 71 -14.306 1.457 -4.593 1.00 44.11 H new ATOM 1073 N VAL A 72 -10.493 -0.591 -7.037 1.00 3.24 N ATOM 1074 CA VAL A 72 -9.135 -0.654 -7.564 1.00 71.25 C ATOM 1075 C VAL A 72 -8.862 0.504 -8.518 1.00 63.50 C ATOM 1076 O VAL A 72 -9.615 0.733 -9.465 1.00 24.52 O ATOM 1077 CB VAL A 72 -8.881 -1.983 -8.301 1.00 42.32 C ATOM 1078 CG1 VAL A 72 -7.859 -1.791 -9.411 1.00 45.31 C ATOM 1079 CG2 VAL A 72 -8.423 -3.055 -7.323 1.00 54.54 C ATOM 0 H VAL A 72 -11.213 -0.907 -7.687 1.00 3.24 H new ATOM 0 HA VAL A 72 -8.460 -0.585 -6.711 1.00 71.25 H new ATOM 0 HB VAL A 72 -9.816 -2.312 -8.754 1.00 42.32 H new ATOM 0 HG11 VAL A 72 -7.692 -2.740 -9.920 1.00 45.31 H new ATOM 0 HG12 VAL A 72 -8.231 -1.056 -10.125 1.00 45.31 H new ATOM 0 HG13 VAL A 72 -6.920 -1.439 -8.984 1.00 45.31 H new ATOM 0 HG21 VAL A 72 -8.248 -3.987 -7.860 1.00 54.54 H new ATOM 0 HG22 VAL A 72 -7.499 -2.736 -6.840 1.00 54.54 H new ATOM 0 HG23 VAL A 72 -9.193 -3.211 -6.567 1.00 54.54 H new ATOM 1089 N ASP A 73 -7.780 1.230 -8.262 1.00 45.32 N ATOM 1090 CA ASP A 73 -7.405 2.364 -9.099 1.00 2.42 C ATOM 1091 C ASP A 73 -6.358 1.956 -10.131 1.00 13.11 C ATOM 1092 O ASP A 73 -5.833 0.843 -10.091 1.00 3.44 O ATOM 1093 CB ASP A 73 -6.869 3.507 -8.235 1.00 42.44 C ATOM 1094 CG ASP A 73 -7.073 4.865 -8.880 1.00 30.55 C ATOM 1095 OD1 ASP A 73 -8.165 5.097 -9.438 1.00 12.41 O ATOM 1096 OD2 ASP A 73 -6.140 5.694 -8.826 1.00 72.51 O ATOM 0 H ASP A 73 -7.147 1.054 -7.482 1.00 45.32 H new ATOM 0 HA ASP A 73 -8.296 2.704 -9.627 1.00 2.42 H new ATOM 0 HB2 ASP A 73 -7.367 3.490 -7.265 1.00 42.44 H new ATOM 0 HB3 ASP A 73 -5.806 3.352 -8.050 1.00 42.44 H new ATOM 1101 N PHE A 74 -6.061 2.863 -11.055 1.00 51.15 N ATOM 1102 CA PHE A 74 -5.079 2.597 -12.100 1.00 22.32 C ATOM 1103 C PHE A 74 -3.751 2.150 -11.496 1.00 64.01 C ATOM 1104 O PHE A 74 -3.042 1.324 -12.071 1.00 64.21 O ATOM 1105 CB PHE A 74 -4.867 3.844 -12.960 1.00 41.03 C ATOM 1106 CG PHE A 74 -3.817 3.670 -14.020 1.00 72.24 C ATOM 1107 CD1 PHE A 74 -3.652 2.450 -14.656 1.00 64.20 C ATOM 1108 CD2 PHE A 74 -2.996 4.726 -14.382 1.00 34.04 C ATOM 1109 CE1 PHE A 74 -2.686 2.287 -15.631 1.00 62.41 C ATOM 1110 CE2 PHE A 74 -2.029 4.569 -15.356 1.00 71.14 C ATOM 1111 CZ PHE A 74 -1.874 3.348 -15.983 1.00 35.23 C ATOM 0 H PHE A 74 -6.486 3.789 -11.102 1.00 51.15 H new ATOM 0 HA PHE A 74 -5.462 1.793 -12.728 1.00 22.32 H new ATOM 0 HB2 PHE A 74 -5.811 4.113 -13.435 1.00 41.03 H new ATOM 0 HB3 PHE A 74 -4.586 4.677 -12.315 1.00 41.03 H new ATOM 0 HD1 PHE A 74 -4.285 1.617 -14.387 1.00 64.20 H new ATOM 0 HD2 PHE A 74 -3.114 5.684 -13.897 1.00 34.04 H new ATOM 0 HE1 PHE A 74 -2.566 1.330 -16.118 1.00 62.41 H new ATOM 0 HE2 PHE A 74 -1.395 5.400 -15.627 1.00 71.14 H new ATOM 0 HZ PHE A 74 -1.120 3.223 -16.746 1.00 35.23 H new ATOM 1121 N ASP A 75 -3.420 2.702 -10.334 1.00 54.50 N ATOM 1122 CA ASP A 75 -2.178 2.362 -9.651 1.00 22.40 C ATOM 1123 C ASP A 75 -2.207 0.918 -9.158 1.00 12.44 C ATOM 1124 O ASP A 75 -1.381 0.099 -9.558 1.00 52.13 O ATOM 1125 CB ASP A 75 -1.940 3.311 -8.475 1.00 72.24 C ATOM 1126 CG ASP A 75 -0.597 3.083 -7.810 1.00 51.41 C ATOM 1127 OD1 ASP A 75 0.233 2.349 -8.385 1.00 74.52 O ATOM 1128 OD2 ASP A 75 -0.376 3.640 -6.714 1.00 22.42 O ATOM 0 H ASP A 75 -3.995 3.388 -9.845 1.00 54.50 H new ATOM 0 HA ASP A 75 -1.360 2.468 -10.364 1.00 22.40 H new ATOM 0 HB2 ASP A 75 -1.998 4.341 -8.826 1.00 72.24 H new ATOM 0 HB3 ASP A 75 -2.733 3.179 -7.739 1.00 72.24 H new ATOM 1133 N GLU A 76 -3.164 0.616 -8.285 1.00 64.22 N ATOM 1134 CA GLU A 76 -3.298 -0.728 -7.736 1.00 73.31 C ATOM 1135 C GLU A 76 -3.577 -1.742 -8.842 1.00 21.42 C ATOM 1136 O GLU A 76 -3.194 -2.908 -8.740 1.00 44.24 O ATOM 1137 CB GLU A 76 -4.421 -0.769 -6.697 1.00 51.33 C ATOM 1138 CG GLU A 76 -4.055 -0.107 -5.379 1.00 61.23 C ATOM 1139 CD GLU A 76 -5.254 0.503 -4.680 1.00 10.01 C ATOM 1140 OE1 GLU A 76 -6.373 -0.025 -4.852 1.00 24.53 O ATOM 1141 OE2 GLU A 76 -5.074 1.508 -3.962 1.00 15.44 O ATOM 0 H GLU A 76 -3.856 1.283 -7.944 1.00 64.22 H new ATOM 0 HA GLU A 76 -2.357 -0.991 -7.254 1.00 73.31 H new ATOM 0 HB2 GLU A 76 -5.303 -0.278 -7.108 1.00 51.33 H new ATOM 0 HB3 GLU A 76 -4.693 -1.808 -6.509 1.00 51.33 H new ATOM 0 HG2 GLU A 76 -3.593 -0.844 -4.723 1.00 61.23 H new ATOM 0 HG3 GLU A 76 -3.311 0.669 -5.561 1.00 61.23 H new ATOM 1148 N TRP A 77 -4.246 -1.290 -9.896 1.00 34.12 N ATOM 1149 CA TRP A 77 -4.577 -2.158 -11.021 1.00 13.34 C ATOM 1150 C TRP A 77 -3.324 -2.540 -11.800 1.00 20.51 C ATOM 1151 O TRP A 77 -3.257 -3.615 -12.398 1.00 23.43 O ATOM 1152 CB TRP A 77 -5.578 -1.466 -11.948 1.00 1.33 C ATOM 1153 CG TRP A 77 -6.256 -2.406 -12.897 1.00 72.15 C ATOM 1154 CD1 TRP A 77 -7.486 -2.980 -12.744 1.00 40.14 C ATOM 1155 CD2 TRP A 77 -5.741 -2.883 -14.146 1.00 14.25 C ATOM 1156 NE1 TRP A 77 -7.767 -3.785 -13.822 1.00 43.42 N ATOM 1157 CE2 TRP A 77 -6.713 -3.741 -14.696 1.00 61.51 C ATOM 1158 CE3 TRP A 77 -4.556 -2.666 -14.852 1.00 64.35 C ATOM 1159 CZ2 TRP A 77 -6.532 -4.383 -15.919 1.00 11.52 C ATOM 1160 CZ3 TRP A 77 -4.378 -3.304 -16.066 1.00 4.54 C ATOM 1161 CH2 TRP A 77 -5.362 -4.153 -16.589 1.00 44.44 C ATOM 0 H TRP A 77 -4.570 -0.328 -9.996 1.00 34.12 H new ATOM 0 HA TRP A 77 -5.028 -3.068 -10.626 1.00 13.34 H new ATOM 0 HB2 TRP A 77 -6.333 -0.963 -11.344 1.00 1.33 H new ATOM 0 HB3 TRP A 77 -5.061 -0.695 -12.519 1.00 1.33 H new ATOM 0 HD1 TRP A 77 -8.141 -2.824 -11.900 1.00 40.14 H new ATOM 0 HE1 TRP A 77 -8.621 -4.327 -13.950 1.00 43.42 H new ATOM 0 HE3 TRP A 77 -3.793 -2.012 -14.457 1.00 64.35 H new ATOM 0 HZ2 TRP A 77 -7.289 -5.039 -16.324 1.00 11.52 H new ATOM 0 HZ3 TRP A 77 -3.465 -3.145 -16.620 1.00 4.54 H new ATOM 0 HH2 TRP A 77 -5.193 -4.636 -17.540 1.00 44.44 H new ATOM 1172 N LEU A 78 -2.333 -1.656 -11.790 1.00 11.23 N ATOM 1173 CA LEU A 78 -1.081 -1.902 -12.496 1.00 44.21 C ATOM 1174 C LEU A 78 -0.255 -2.970 -11.786 1.00 35.02 C ATOM 1175 O LEU A 78 0.216 -3.921 -12.409 1.00 23.33 O ATOM 1176 CB LEU A 78 -0.273 -0.608 -12.608 1.00 3.30 C ATOM 1177 CG LEU A 78 -0.761 0.400 -13.649 1.00 44.40 C ATOM 1178 CD1 LEU A 78 -0.436 1.820 -13.211 1.00 24.02 C ATOM 1179 CD2 LEU A 78 -0.143 0.105 -15.008 1.00 2.10 C ATOM 0 H LEU A 78 -2.372 -0.762 -11.301 1.00 11.23 H new ATOM 0 HA LEU A 78 -1.322 -2.261 -13.497 1.00 44.21 H new ATOM 0 HB2 LEU A 78 -0.269 -0.120 -11.633 1.00 3.30 H new ATOM 0 HB3 LEU A 78 0.760 -0.867 -12.839 1.00 3.30 H new ATOM 0 HG LEU A 78 -1.844 0.307 -13.736 1.00 44.40 H new ATOM 0 HD11 LEU A 78 -0.791 2.523 -13.964 1.00 24.02 H new ATOM 0 HD12 LEU A 78 -0.926 2.029 -12.260 1.00 24.02 H new ATOM 0 HD13 LEU A 78 0.642 1.927 -13.094 1.00 24.02 H new ATOM 0 HD21 LEU A 78 -0.502 0.832 -15.736 1.00 2.10 H new ATOM 0 HD22 LEU A 78 0.943 0.169 -14.936 1.00 2.10 H new ATOM 0 HD23 LEU A 78 -0.427 -0.898 -15.327 1.00 2.10 H new ATOM 1191 N VAL A 79 -0.087 -2.807 -10.477 1.00 62.43 N ATOM 1192 CA VAL A 79 0.678 -3.759 -9.681 1.00 65.30 C ATOM 1193 C VAL A 79 0.036 -5.141 -9.709 1.00 35.30 C ATOM 1194 O VAL A 79 0.718 -6.157 -9.577 1.00 33.02 O ATOM 1195 CB VAL A 79 0.805 -3.294 -8.218 1.00 41.43 C ATOM 1196 CG1 VAL A 79 1.597 -1.997 -8.137 1.00 72.31 C ATOM 1197 CG2 VAL A 79 -0.571 -3.128 -7.592 1.00 10.55 C ATOM 0 H VAL A 79 -0.470 -2.025 -9.946 1.00 62.43 H new ATOM 0 HA VAL A 79 1.672 -3.814 -10.125 1.00 65.30 H new ATOM 0 HB VAL A 79 1.345 -4.057 -7.657 1.00 41.43 H new ATOM 0 HG11 VAL A 79 1.677 -1.684 -7.096 1.00 72.31 H new ATOM 0 HG12 VAL A 79 2.595 -2.154 -8.546 1.00 72.31 H new ATOM 0 HG13 VAL A 79 1.087 -1.223 -8.711 1.00 72.31 H new ATOM 0 HG21 VAL A 79 -0.463 -2.799 -6.558 1.00 10.55 H new ATOM 0 HG22 VAL A 79 -1.138 -2.385 -8.152 1.00 10.55 H new ATOM 0 HG23 VAL A 79 -1.099 -4.081 -7.616 1.00 10.55 H new ATOM 1207 N MET A 80 -1.282 -5.172 -9.882 1.00 43.35 N ATOM 1208 CA MET A 80 -2.017 -6.430 -9.930 1.00 31.12 C ATOM 1209 C MET A 80 -1.415 -7.373 -10.967 1.00 53.20 C ATOM 1210 O MET A 80 -1.182 -8.549 -10.689 1.00 53.21 O ATOM 1211 CB MET A 80 -3.491 -6.173 -10.251 1.00 45.34 C ATOM 1212 CG MET A 80 -4.354 -5.965 -9.018 1.00 75.11 C ATOM 1213 SD MET A 80 -6.090 -6.359 -9.311 1.00 45.52 S ATOM 1214 CE MET A 80 -6.339 -5.610 -10.919 1.00 74.22 C ATOM 0 H MET A 80 -1.862 -4.340 -9.991 1.00 43.35 H new ATOM 0 HA MET A 80 -1.943 -6.902 -8.950 1.00 31.12 H new ATOM 0 HB2 MET A 80 -3.567 -5.293 -10.890 1.00 45.34 H new ATOM 0 HB3 MET A 80 -3.883 -7.016 -10.821 1.00 45.34 H new ATOM 0 HG2 MET A 80 -3.976 -6.586 -8.206 1.00 75.11 H new ATOM 0 HG3 MET A 80 -4.271 -4.928 -8.692 1.00 75.11 H new ATOM 0 HE1 MET A 80 -7.361 -5.239 -10.993 1.00 74.22 H new ATOM 0 HE2 MET A 80 -5.642 -4.781 -11.046 1.00 74.22 H new ATOM 0 HE3 MET A 80 -6.165 -6.353 -11.697 1.00 74.22 H new ATOM 1224 N MET A 81 -1.167 -6.849 -12.163 1.00 4.33 N ATOM 1225 CA MET A 81 -0.591 -7.644 -13.241 1.00 20.52 C ATOM 1226 C MET A 81 0.818 -8.107 -12.883 1.00 10.52 C ATOM 1227 O MET A 81 1.175 -9.264 -13.100 1.00 5.11 O ATOM 1228 CB MET A 81 -0.561 -6.837 -14.540 1.00 2.34 C ATOM 1229 CG MET A 81 -0.702 -7.690 -15.790 1.00 23.25 C ATOM 1230 SD MET A 81 -2.406 -8.192 -16.099 1.00 44.04 S ATOM 1231 CE MET A 81 -3.194 -6.598 -16.313 1.00 73.15 C ATOM 0 H MET A 81 -1.356 -5.878 -12.410 1.00 4.33 H new ATOM 0 HA MET A 81 -1.218 -8.524 -13.384 1.00 20.52 H new ATOM 0 HB2 MET A 81 -1.365 -6.102 -14.520 1.00 2.34 H new ATOM 0 HB3 MET A 81 0.376 -6.283 -14.592 1.00 2.34 H new ATOM 0 HG2 MET A 81 -0.330 -7.133 -16.650 1.00 23.25 H new ATOM 0 HG3 MET A 81 -0.078 -8.578 -15.692 1.00 23.25 H new ATOM 0 HE1 MET A 81 -3.961 -6.466 -15.550 1.00 73.15 H new ATOM 0 HE2 MET A 81 -2.449 -5.808 -16.219 1.00 73.15 H new ATOM 0 HE3 MET A 81 -3.652 -6.548 -17.301 1.00 73.15 H new ATOM 1241 N ALA A 82 1.614 -7.194 -12.334 1.00 35.42 N ATOM 1242 CA ALA A 82 2.982 -7.510 -11.945 1.00 4.55 C ATOM 1243 C ALA A 82 3.019 -8.672 -10.958 1.00 12.30 C ATOM 1244 O ALA A 82 4.006 -9.403 -10.882 1.00 63.11 O ATOM 1245 CB ALA A 82 3.656 -6.284 -11.345 1.00 31.23 C ATOM 0 H ALA A 82 1.334 -6.231 -12.149 1.00 35.42 H new ATOM 0 HA ALA A 82 3.527 -7.811 -12.840 1.00 4.55 H new ATOM 0 HB1 ALA A 82 4.678 -6.534 -11.059 1.00 31.23 H new ATOM 0 HB2 ALA A 82 3.672 -5.481 -12.081 1.00 31.23 H new ATOM 0 HB3 ALA A 82 3.102 -5.958 -10.465 1.00 31.23 H new ATOM 1251 N ARG A 83 1.937 -8.836 -10.204 1.00 0.34 N ATOM 1252 CA ARG A 83 1.847 -9.908 -9.220 1.00 73.23 C ATOM 1253 C ARG A 83 1.890 -11.274 -9.900 1.00 4.24 C ATOM 1254 O ARG A 83 2.271 -12.272 -9.286 1.00 13.41 O ATOM 1255 CB ARG A 83 0.560 -9.774 -8.404 1.00 53.32 C ATOM 1256 CG ARG A 83 0.444 -10.788 -7.278 1.00 52.11 C ATOM 1257 CD ARG A 83 -0.398 -10.253 -6.131 1.00 13.53 C ATOM 1258 NE ARG A 83 -1.555 -11.102 -5.858 1.00 2.32 N ATOM 1259 CZ ARG A 83 -2.663 -11.092 -6.591 1.00 23.24 C ATOM 1260 NH1 ARG A 83 -2.763 -10.282 -7.635 1.00 75.35 N ATOM 1261 NH2 ARG A 83 -3.673 -11.895 -6.279 1.00 44.50 N ATOM 0 H ARG A 83 1.111 -8.240 -10.256 1.00 0.34 H new ATOM 0 HA ARG A 83 2.704 -9.826 -8.551 1.00 73.23 H new ATOM 0 HB2 ARG A 83 0.509 -8.770 -7.984 1.00 53.32 H new ATOM 0 HB3 ARG A 83 -0.296 -9.884 -9.070 1.00 53.32 H new ATOM 0 HG2 ARG A 83 -0.001 -11.707 -7.659 1.00 52.11 H new ATOM 0 HG3 ARG A 83 1.439 -11.043 -6.912 1.00 52.11 H new ATOM 0 HD2 ARG A 83 0.217 -10.179 -5.234 1.00 13.53 H new ATOM 0 HD3 ARG A 83 -0.737 -9.245 -6.370 1.00 13.53 H new ATOM 0 HE ARG A 83 -1.510 -11.737 -5.061 1.00 2.32 H new ATOM 0 HH11 ARG A 83 -1.988 -9.664 -7.877 1.00 75.35 H new ATOM 0 HH12 ARG A 83 -3.615 -10.276 -8.196 1.00 75.35 H new ATOM 0 HH21 ARG A 83 -3.599 -12.520 -5.476 1.00 44.50 H new ATOM 0 HH22 ARG A 83 -4.524 -11.887 -6.842 1.00 44.50 H new ATOM 1275 N CYS A 84 1.499 -11.310 -11.168 1.00 74.33 N ATOM 1276 CA CYS A 84 1.492 -12.554 -11.931 1.00 52.40 C ATOM 1277 C CYS A 84 2.914 -13.023 -12.218 1.00 23.43 C ATOM 1278 O CYS A 84 3.151 -14.207 -12.458 1.00 0.05 O ATOM 1279 CB CYS A 84 0.729 -12.367 -13.243 1.00 42.04 C ATOM 1280 SG CYS A 84 0.418 -13.905 -14.142 1.00 23.13 S ATOM 0 H CYS A 84 1.183 -10.493 -11.690 1.00 74.33 H new ATOM 0 HA CYS A 84 0.991 -13.316 -11.333 1.00 52.40 H new ATOM 0 HB2 CYS A 84 -0.225 -11.884 -13.031 1.00 42.04 H new ATOM 0 HB3 CYS A 84 1.293 -11.691 -13.886 1.00 42.04 H new ATOM 0 HG CYS A 84 1.370 -14.754 -13.892 1.00 23.13 H new ATOM 1286 N MET A 85 3.857 -12.087 -12.193 1.00 23.33 N ATOM 1287 CA MET A 85 5.257 -12.406 -12.451 1.00 11.13 C ATOM 1288 C MET A 85 5.910 -13.023 -11.218 1.00 2.41 C ATOM 1289 O MET A 85 6.573 -14.056 -11.305 1.00 63.34 O ATOM 1290 CB MET A 85 6.019 -11.148 -12.871 1.00 4.01 C ATOM 1291 CG MET A 85 5.474 -10.500 -14.133 1.00 61.03 C ATOM 1292 SD MET A 85 5.813 -11.471 -15.614 1.00 50.14 S ATOM 1293 CE MET A 85 6.025 -10.172 -16.829 1.00 73.14 C ATOM 0 H MET A 85 3.678 -11.102 -11.997 1.00 23.33 H new ATOM 0 HA MET A 85 5.295 -13.133 -13.262 1.00 11.13 H new ATOM 0 HB2 MET A 85 5.985 -10.424 -12.057 1.00 4.01 H new ATOM 0 HB3 MET A 85 7.067 -11.403 -13.027 1.00 4.01 H new ATOM 0 HG2 MET A 85 4.397 -10.364 -14.031 1.00 61.03 H new ATOM 0 HG3 MET A 85 5.912 -9.508 -14.246 1.00 61.03 H new ATOM 0 HE1 MET A 85 6.241 -10.615 -17.801 1.00 73.14 H new ATOM 0 HE2 MET A 85 5.111 -9.582 -16.894 1.00 73.14 H new ATOM 0 HE3 MET A 85 6.852 -9.527 -16.532 1.00 73.14 H new