USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 812 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 59 HIS : no HD1:sc= 0.0402 K(o=0.074,f=-0.66) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -142:sc= 0.0335 (180deg=-0.00871) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc=-0.00666 (180deg=-0.0942) USER MOD Single : A 15 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.31) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= 0.251 (180deg=0.227) USER MOD Single : A 48 LYS NZ :NH3+ -133:sc= 0.6 (180deg=-0.134) USER MOD Single : A 50 MET CE :methyl -133:sc= -1.95 (180deg=-5.21!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 1.02 K(o=1,f=-0.026) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= 0.472 (180deg=0.0893) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 69 HIS : no HD1:sc= 0.161 K(o=0.16,f=-1.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 51:sc= 1.02 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00284 USER MOD Single : A 77 MET CE :methyl 175:sc= -2.21 (180deg=-2.34) USER MOD Single : A 78 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.015) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.602 K(o=-0.6,f=-4.5!) USER MOD Single : A 89 ASN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 90 TYR OH : rot 37:sc= 1.13 USER MOD Single : A 92 CYS SG : rot -130:sc= -2.66 USER MOD Single : A 95 THR OG1 : rot -68:sc= 0.668! USER MOD Single : A 96 TYR OH : rot 30:sc= 0.0132 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 26:sc= 0.298 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -2.26 X(o=-2.3,f=-2.6!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ILE A 11 11.008 4.192 -0.755 1.00 0.00 N ATOM 125 CA ILE A 11 11.188 5.387 -1.571 1.00 0.00 C ATOM 126 C ILE A 11 9.856 6.084 -1.827 1.00 0.00 C ATOM 127 O ILE A 11 9.626 7.196 -1.353 1.00 0.00 O ATOM 128 CB ILE A 11 11.846 5.051 -2.922 1.00 0.00 C ATOM 129 CG1 ILE A 11 13.320 4.689 -2.720 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.710 6.222 -3.884 1.00 0.00 C ATOM 131 CD1 ILE A 11 14.109 5.756 -1.994 1.00 0.00 C ATOM 0 HA ILE A 11 11.843 6.055 -1.012 1.00 0.00 H new ATOM 0 HB ILE A 11 11.335 4.190 -3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.383 3.757 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.778 4.508 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.180 5.969 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.654 6.438 -4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.198 7.100 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.144 5.433 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.076 6.684 -2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.676 5.921 -1.008 1.00 0.00 H new ATOM 143 N GLU A 12 8.982 5.421 -2.577 1.00 0.00 N ATOM 144 CA GLU A 12 7.672 5.977 -2.895 1.00 0.00 C ATOM 145 C GLU A 12 6.598 5.400 -1.977 1.00 0.00 C ATOM 146 O GLU A 12 6.763 4.317 -1.414 1.00 0.00 O ATOM 147 CB GLU A 12 7.314 5.697 -4.356 1.00 0.00 C ATOM 148 CG GLU A 12 6.429 6.762 -4.981 1.00 0.00 C ATOM 149 CD GLU A 12 7.209 7.989 -5.412 1.00 0.00 C ATOM 150 OE1 GLU A 12 8.416 7.853 -5.701 1.00 0.00 O ATOM 151 OE2 GLU A 12 6.612 9.085 -5.458 1.00 0.00 O ATOM 0 H GLU A 12 9.157 4.499 -2.976 1.00 0.00 H new ATOM 0 HA GLU A 12 7.717 7.055 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.233 5.613 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.808 4.733 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.915 6.341 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.661 7.057 -4.266 1.00 0.00 H new ATOM 158 N LYS A 13 5.498 6.129 -1.831 1.00 0.00 N ATOM 159 CA LYS A 13 4.395 5.691 -0.983 1.00 0.00 C ATOM 160 C LYS A 13 3.079 5.699 -1.755 1.00 0.00 C ATOM 161 O LYS A 13 2.825 6.570 -2.587 1.00 0.00 O ATOM 162 CB LYS A 13 4.283 6.593 0.248 1.00 0.00 C ATOM 163 CG LYS A 13 5.571 6.698 1.045 1.00 0.00 C ATOM 164 CD LYS A 13 5.530 7.862 2.021 1.00 0.00 C ATOM 165 CE LYS A 13 6.919 8.431 2.269 1.00 0.00 C ATOM 166 NZ LYS A 13 7.413 9.214 1.103 1.00 0.00 N ATOM 0 H LYS A 13 5.346 7.027 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 13 4.600 4.670 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.980 7.591 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.494 6.212 0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.738 5.770 1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.412 6.823 0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.880 8.644 1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.097 7.531 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.898 9.069 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.613 7.617 2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.220 9.802 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.714 8.563 0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.651 9.825 0.747 1.00 0.00 H new ATOM 180 N PRO A 14 2.221 4.708 -1.472 1.00 0.00 N ATOM 181 CA PRO A 14 0.916 4.581 -2.127 1.00 0.00 C ATOM 182 C PRO A 14 -0.056 5.676 -1.701 1.00 0.00 C ATOM 183 O PRO A 14 -0.695 5.577 -0.654 1.00 0.00 O ATOM 184 CB PRO A 14 0.416 3.211 -1.660 1.00 0.00 C ATOM 185 CG PRO A 14 1.113 2.976 -0.364 1.00 0.00 C ATOM 186 CD PRO A 14 2.458 3.636 -0.491 1.00 0.00 C ATOM 0 HA PRO A 14 0.993 4.675 -3.210 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.667 3.206 -1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.656 2.434 -2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.547 3.400 0.466 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.219 1.909 -0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.802 4.034 0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.218 2.936 -0.837 1.00 0.00 H new ATOM 194 N GLN A 15 -0.162 6.718 -2.520 1.00 0.00 N ATOM 195 CA GLN A 15 -1.057 7.831 -2.226 1.00 0.00 C ATOM 196 C GLN A 15 -2.512 7.434 -2.450 1.00 0.00 C ATOM 197 O GLN A 15 -2.952 7.263 -3.586 1.00 0.00 O ATOM 198 CB GLN A 15 -0.705 9.038 -3.097 1.00 0.00 C ATOM 199 CG GLN A 15 0.537 9.782 -2.634 1.00 0.00 C ATOM 200 CD GLN A 15 0.434 10.253 -1.197 1.00 0.00 C ATOM 201 OE1 GLN A 15 -0.569 10.845 -0.797 1.00 0.00 O ATOM 202 NE2 GLN A 15 1.473 9.993 -0.412 1.00 0.00 N ATOM 0 H GLN A 15 0.360 6.814 -3.391 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.931 8.099 -1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.556 8.703 -4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.549 9.728 -3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.405 9.131 -2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.704 10.642 -3.283 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.284 9.500 -0.786 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.460 10.287 0.565 1.00 0.00 H new ATOM 211 N GLY A 16 -3.256 7.288 -1.357 1.00 0.00 N ATOM 212 CA GLY A 16 -4.654 6.912 -1.456 1.00 0.00 C ATOM 213 C GLY A 16 -5.406 7.740 -2.479 1.00 0.00 C ATOM 214 O GLY A 16 -4.891 8.739 -2.980 1.00 0.00 O ATOM 0 H GLY A 16 -2.915 7.423 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.725 5.858 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.128 7.027 -0.481 1.00 0.00 H new ATOM 218 N GLY A 17 -6.630 7.323 -2.791 1.00 0.00 N ATOM 219 CA GLY A 17 -7.434 8.044 -3.761 1.00 0.00 C ATOM 220 C GLY A 17 -8.908 7.706 -3.656 1.00 0.00 C ATOM 221 O GLY A 17 -9.360 7.167 -2.645 1.00 0.00 O ATOM 0 H GLY A 17 -7.079 6.500 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.299 9.116 -3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.081 7.811 -4.766 1.00 0.00 H new ATOM 225 N THR A 18 -9.662 8.026 -4.704 1.00 0.00 N ATOM 226 CA THR A 18 -11.094 7.756 -4.725 1.00 0.00 C ATOM 227 C THR A 18 -11.504 7.063 -6.019 1.00 0.00 C ATOM 228 O THR A 18 -11.427 7.648 -7.100 1.00 0.00 O ATOM 229 CB THR A 18 -11.912 9.052 -4.568 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.353 9.861 -3.528 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.366 8.738 -4.247 1.00 0.00 C ATOM 0 H THR A 18 -9.304 8.472 -5.549 1.00 0.00 H new ATOM 0 HA THR A 18 -11.304 7.098 -3.882 1.00 0.00 H new ATOM 0 HB THR A 18 -11.874 9.597 -5.511 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.878 10.684 -3.436 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.924 9.668 -4.141 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.797 8.146 -5.054 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.419 8.174 -3.316 1.00 0.00 H new ATOM 239 N VAL A 19 -11.942 5.813 -5.903 1.00 0.00 N ATOM 240 CA VAL A 19 -12.366 5.041 -7.065 1.00 0.00 C ATOM 241 C VAL A 19 -13.877 4.837 -7.067 1.00 0.00 C ATOM 242 O VAL A 19 -14.483 4.589 -6.025 1.00 0.00 O ATOM 243 CB VAL A 19 -11.673 3.666 -7.108 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.048 2.841 -5.886 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.032 2.929 -8.390 1.00 0.00 C ATOM 0 H VAL A 19 -12.012 5.314 -5.016 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.078 5.612 -7.948 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.594 3.821 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.549 1.873 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.736 3.366 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.128 2.692 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.534 1.960 -8.404 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.111 2.783 -8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.708 3.516 -9.250 1.00 0.00 H new ATOM 255 N LYS A 20 -14.481 4.943 -8.246 1.00 0.00 N ATOM 256 CA LYS A 20 -15.922 4.768 -8.386 1.00 0.00 C ATOM 257 C LYS A 20 -16.307 3.298 -8.257 1.00 0.00 C ATOM 258 O LYS A 20 -15.531 2.409 -8.610 1.00 0.00 O ATOM 259 CB LYS A 20 -16.393 5.313 -9.737 1.00 0.00 C ATOM 260 CG LYS A 20 -17.875 5.642 -9.776 1.00 0.00 C ATOM 261 CD LYS A 20 -18.204 6.842 -8.905 1.00 0.00 C ATOM 262 CE LYS A 20 -17.714 8.138 -9.533 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.699 8.690 -10.504 1.00 0.00 N ATOM 0 H LYS A 20 -13.995 5.149 -9.119 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.410 5.324 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.823 6.211 -9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.172 4.580 -10.512 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.177 5.844 -10.804 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.449 4.779 -9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.282 6.896 -8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.747 6.717 -7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.525 8.872 -8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.765 7.960 -10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.329 9.573 -10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.861 8.000 -11.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.597 8.883 -10.016 1.00 0.00 H new ATOM 277 N VAL A 21 -17.510 3.049 -7.751 1.00 0.00 N ATOM 278 CA VAL A 21 -17.999 1.686 -7.577 1.00 0.00 C ATOM 279 C VAL A 21 -18.034 0.941 -8.907 1.00 0.00 C ATOM 280 O VAL A 21 -18.733 1.342 -9.837 1.00 0.00 O ATOM 281 CB VAL A 21 -19.409 1.670 -6.956 1.00 0.00 C ATOM 282 CG1 VAL A 21 -19.938 0.247 -6.868 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.393 2.328 -5.584 1.00 0.00 C ATOM 0 H VAL A 21 -18.164 3.773 -7.454 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.306 1.185 -6.901 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.078 2.241 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -20.935 0.256 -6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -19.987 -0.185 -7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.272 -0.351 -6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.397 2.308 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.711 1.786 -4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.060 3.361 -5.680 1.00 0.00 H new ATOM 293 N GLY A 22 -17.273 -0.146 -8.990 1.00 0.00 N ATOM 294 CA GLY A 22 -17.232 -0.931 -10.211 1.00 0.00 C ATOM 295 C GLY A 22 -16.004 -0.633 -11.049 1.00 0.00 C ATOM 296 O GLY A 22 -15.651 -1.407 -11.938 1.00 0.00 O ATOM 0 H GLY A 22 -16.685 -0.497 -8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.248 -1.991 -9.959 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.127 -0.730 -10.799 1.00 0.00 H new ATOM 300 N GLU A 23 -15.355 0.492 -10.767 1.00 0.00 N ATOM 301 CA GLU A 23 -14.162 0.890 -11.504 1.00 0.00 C ATOM 302 C GLU A 23 -12.938 0.121 -11.014 1.00 0.00 C ATOM 303 O GLU A 23 -13.041 -0.742 -10.142 1.00 0.00 O ATOM 304 CB GLU A 23 -13.924 2.394 -11.360 1.00 0.00 C ATOM 305 CG GLU A 23 -14.557 3.220 -12.467 1.00 0.00 C ATOM 306 CD GLU A 23 -16.072 3.217 -12.404 1.00 0.00 C ATOM 307 OE1 GLU A 23 -16.644 2.221 -11.914 1.00 0.00 O ATOM 308 OE2 GLU A 23 -16.685 4.212 -12.844 1.00 0.00 O ATOM 0 H GLU A 23 -15.635 1.143 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.321 0.654 -12.556 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.319 2.725 -10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.851 2.584 -11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.196 4.246 -12.401 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.237 2.831 -13.434 1.00 0.00 H new ATOM 315 N ASP A 24 -11.780 0.440 -11.583 1.00 0.00 N ATOM 316 CA ASP A 24 -10.535 -0.220 -11.205 1.00 0.00 C ATOM 317 C ASP A 24 -9.464 0.805 -10.847 1.00 0.00 C ATOM 318 O ASP A 24 -9.222 1.752 -11.596 1.00 0.00 O ATOM 319 CB ASP A 24 -10.042 -1.115 -12.342 1.00 0.00 C ATOM 320 CG ASP A 24 -9.252 -0.347 -13.383 1.00 0.00 C ATOM 321 OD1 ASP A 24 -8.048 -0.105 -13.156 1.00 0.00 O ATOM 322 OD2 ASP A 24 -9.838 0.012 -14.426 1.00 0.00 O ATOM 0 H ASP A 24 -11.678 1.151 -12.307 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.731 -0.836 -10.327 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.419 -1.910 -11.931 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.896 -1.594 -12.820 1.00 0.00 H new ATOM 327 N ILE A 25 -8.827 0.611 -9.697 1.00 0.00 N ATOM 328 CA ILE A 25 -7.782 1.518 -9.240 1.00 0.00 C ATOM 329 C ILE A 25 -6.527 0.752 -8.834 1.00 0.00 C ATOM 330 O ILE A 25 -6.598 -0.409 -8.430 1.00 0.00 O ATOM 331 CB ILE A 25 -8.257 2.370 -8.049 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.112 3.240 -7.526 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.800 1.478 -6.943 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.578 4.436 -6.726 1.00 0.00 C ATOM 0 H ILE A 25 -9.017 -0.167 -9.065 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.548 2.176 -10.077 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.060 3.025 -8.388 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.458 2.629 -6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.516 3.588 -8.370 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.132 2.095 -6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.641 0.899 -7.323 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.016 0.800 -6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.713 5.007 -6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.208 5.069 -7.351 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.149 4.096 -5.862 1.00 0.00 H new ATOM 346 N THR A 26 -5.377 1.411 -8.943 1.00 0.00 N ATOM 347 CA THR A 26 -4.106 0.793 -8.587 1.00 0.00 C ATOM 348 C THR A 26 -3.218 1.765 -7.819 1.00 0.00 C ATOM 349 O THR A 26 -3.173 2.957 -8.127 1.00 0.00 O ATOM 350 CB THR A 26 -3.350 0.303 -9.836 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.247 -0.393 -10.710 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.200 -0.614 -9.448 1.00 0.00 C ATOM 0 H THR A 26 -5.300 2.372 -9.275 1.00 0.00 H new ATOM 0 HA THR A 26 -4.338 -0.063 -7.953 1.00 0.00 H new ATOM 0 HB THR A 26 -2.942 1.173 -10.351 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.759 -0.700 -11.503 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.681 -0.947 -10.347 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.504 -0.073 -8.807 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.590 -1.480 -8.912 1.00 0.00 H new ATOM 360 N PHE A 27 -2.512 1.250 -6.818 1.00 0.00 N ATOM 361 CA PHE A 27 -1.625 2.074 -6.005 1.00 0.00 C ATOM 362 C PHE A 27 -0.163 1.732 -6.278 1.00 0.00 C ATOM 363 O PHE A 27 0.187 0.567 -6.472 1.00 0.00 O ATOM 364 CB PHE A 27 -1.936 1.883 -4.519 1.00 0.00 C ATOM 365 CG PHE A 27 -3.369 2.162 -4.166 1.00 0.00 C ATOM 366 CD1 PHE A 27 -3.772 3.437 -3.804 1.00 0.00 C ATOM 367 CD2 PHE A 27 -4.314 1.148 -4.197 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.090 3.696 -3.477 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.633 1.401 -3.872 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.022 2.677 -3.513 1.00 0.00 C ATOM 0 H PHE A 27 -2.537 0.266 -6.550 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.792 3.117 -6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.692 0.860 -4.234 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.292 2.539 -3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.048 4.238 -3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.016 0.149 -4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.391 4.694 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.359 0.602 -3.899 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.053 2.878 -3.261 1.00 0.00 H new ATOM 380 N ILE A 28 0.685 2.755 -6.292 1.00 0.00 N ATOM 381 CA ILE A 28 2.108 2.563 -6.541 1.00 0.00 C ATOM 382 C ILE A 28 2.904 2.611 -5.242 1.00 0.00 C ATOM 383 O ILE A 28 2.679 3.475 -4.395 1.00 0.00 O ATOM 384 CB ILE A 28 2.659 3.628 -7.507 1.00 0.00 C ATOM 385 CG1 ILE A 28 2.050 3.449 -8.900 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.177 3.549 -7.573 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.401 2.128 -9.547 1.00 0.00 C ATOM 0 H ILE A 28 0.411 3.725 -6.134 1.00 0.00 H new ATOM 0 HA ILE A 28 2.219 1.579 -6.997 1.00 0.00 H new ATOM 0 HB ILE A 28 2.382 4.614 -7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.966 3.532 -8.827 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.389 4.261 -9.543 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.551 4.308 -8.260 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.594 3.721 -6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.475 2.562 -7.926 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.936 2.070 -10.531 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.483 2.050 -9.652 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.037 1.310 -8.925 1.00 0.00 H new ATOM 399 N ALA A 29 3.839 1.678 -5.092 1.00 0.00 N ATOM 400 CA ALA A 29 4.672 1.616 -3.898 1.00 0.00 C ATOM 401 C ALA A 29 6.070 1.105 -4.230 1.00 0.00 C ATOM 402 O ALA A 29 6.246 -0.052 -4.612 1.00 0.00 O ATOM 403 CB ALA A 29 4.021 0.731 -2.845 1.00 0.00 C ATOM 0 H ALA A 29 4.038 0.955 -5.783 1.00 0.00 H new ATOM 0 HA ALA A 29 4.768 2.626 -3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.654 0.694 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.047 1.140 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.895 -0.276 -3.243 1.00 0.00 H new ATOM 409 N LYS A 30 7.063 1.976 -4.082 1.00 0.00 N ATOM 410 CA LYS A 30 8.447 1.614 -4.365 1.00 0.00 C ATOM 411 C LYS A 30 9.251 1.487 -3.076 1.00 0.00 C ATOM 412 O LYS A 30 8.951 2.142 -2.078 1.00 0.00 O ATOM 413 CB LYS A 30 9.092 2.658 -5.280 1.00 0.00 C ATOM 414 CG LYS A 30 8.927 2.355 -6.759 1.00 0.00 C ATOM 415 CD LYS A 30 8.879 3.629 -7.587 1.00 0.00 C ATOM 416 CE LYS A 30 7.482 4.229 -7.606 1.00 0.00 C ATOM 417 NZ LYS A 30 7.325 5.237 -8.691 1.00 0.00 N ATOM 0 H LYS A 30 6.935 2.938 -3.768 1.00 0.00 H new ATOM 0 HA LYS A 30 8.447 0.648 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.657 3.634 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.155 2.725 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.754 1.731 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.012 1.784 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.583 4.355 -7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.197 3.414 -8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.748 3.435 -7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.275 4.696 -6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.359 5.622 -8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.008 6.008 -8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.498 4.786 -9.612 1.00 0.00 H new ATOM 431 N VAL A 31 10.276 0.640 -3.103 1.00 0.00 N ATOM 432 CA VAL A 31 11.125 0.429 -1.937 1.00 0.00 C ATOM 433 C VAL A 31 12.595 0.356 -2.334 1.00 0.00 C ATOM 434 O VAL A 31 12.951 -0.278 -3.327 1.00 0.00 O ATOM 435 CB VAL A 31 10.742 -0.862 -1.190 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.441 -0.926 0.159 1.00 0.00 C ATOM 437 CG2 VAL A 31 9.232 -0.952 -1.022 1.00 0.00 C ATOM 0 H VAL A 31 10.538 0.089 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 31 10.972 1.282 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 31 11.071 -1.715 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.158 -1.845 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.521 -0.911 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.146 -0.068 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.979 -1.870 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.878 -0.094 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.756 -0.956 -2.003 1.00 0.00 H new ATOM 447 N LYS A 32 13.447 1.009 -1.550 1.00 0.00 N ATOM 448 CA LYS A 32 14.880 1.018 -1.817 1.00 0.00 C ATOM 449 C LYS A 32 15.516 -0.309 -1.418 1.00 0.00 C ATOM 450 O LYS A 32 15.352 -0.772 -0.290 1.00 0.00 O ATOM 451 CB LYS A 32 15.553 2.166 -1.061 1.00 0.00 C ATOM 452 CG LYS A 32 16.895 2.575 -1.645 1.00 0.00 C ATOM 453 CD LYS A 32 16.724 3.411 -2.902 1.00 0.00 C ATOM 454 CE LYS A 32 17.883 3.211 -3.866 1.00 0.00 C ATOM 455 NZ LYS A 32 19.033 4.100 -3.544 1.00 0.00 N ATOM 0 H LYS A 32 13.169 1.539 -0.724 1.00 0.00 H new ATOM 0 HA LYS A 32 15.024 1.162 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.888 3.029 -1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.693 1.872 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.458 3.142 -0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.479 1.684 -1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.789 3.143 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.651 4.465 -2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.208 2.171 -3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.546 3.407 -4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.802 3.933 -4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.730 5.093 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.371 3.896 -2.582 1.00 0.00 H new ATOM 469 N ALA A 33 16.243 -0.916 -2.351 1.00 0.00 N ATOM 470 CA ALA A 33 16.906 -2.189 -2.095 1.00 0.00 C ATOM 471 C ALA A 33 18.402 -2.094 -2.373 1.00 0.00 C ATOM 472 O ALA A 33 18.863 -1.156 -3.023 1.00 0.00 O ATOM 473 CB ALA A 33 16.279 -3.290 -2.937 1.00 0.00 C ATOM 0 H ALA A 33 16.388 -0.547 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 33 16.774 -2.434 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.784 -4.235 -2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.222 -3.383 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.381 -3.043 -3.994 1.00 0.00 H new ATOM 479 N GLU A 34 19.156 -3.070 -1.877 1.00 0.00 N ATOM 480 CA GLU A 34 20.600 -3.094 -2.072 1.00 0.00 C ATOM 481 C GLU A 34 21.054 -4.447 -2.614 1.00 0.00 C ATOM 482 O GLU A 34 21.852 -4.517 -3.549 1.00 0.00 O ATOM 483 CB GLU A 34 21.320 -2.792 -0.756 1.00 0.00 C ATOM 484 CG GLU A 34 20.917 -1.467 -0.132 1.00 0.00 C ATOM 485 CD GLU A 34 21.652 -1.186 1.165 1.00 0.00 C ATOM 486 OE1 GLU A 34 21.747 -2.104 2.005 1.00 0.00 O ATOM 487 OE2 GLU A 34 22.133 -0.046 1.338 1.00 0.00 O ATOM 0 H GLU A 34 18.790 -3.854 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 34 20.855 -2.326 -2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.116 -3.595 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.396 -2.789 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.115 -0.661 -0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.843 -1.470 0.056 1.00 0.00 H new ATOM 494 N ASP A 35 20.539 -5.518 -2.021 1.00 0.00 N ATOM 495 CA ASP A 35 20.889 -6.869 -2.443 1.00 0.00 C ATOM 496 C ASP A 35 19.842 -7.427 -3.402 1.00 0.00 C ATOM 497 O ASP A 35 18.655 -7.480 -3.079 1.00 0.00 O ATOM 498 CB ASP A 35 21.027 -7.787 -1.227 1.00 0.00 C ATOM 499 CG ASP A 35 22.305 -7.533 -0.452 1.00 0.00 C ATOM 500 OD1 ASP A 35 22.809 -6.391 -0.497 1.00 0.00 O ATOM 501 OD2 ASP A 35 22.802 -8.476 0.198 1.00 0.00 O ATOM 0 H ASP A 35 19.877 -5.477 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 35 21.845 -6.824 -2.964 1.00 0.00 H new ATOM 0 HB2 ASP A 35 20.171 -7.643 -0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 35 21.005 -8.826 -1.555 1.00 0.00 H new ATOM 506 N LEU A 36 20.290 -7.843 -4.582 1.00 0.00 N ATOM 507 CA LEU A 36 19.391 -8.397 -5.588 1.00 0.00 C ATOM 508 C LEU A 36 18.668 -9.629 -5.054 1.00 0.00 C ATOM 509 O LEU A 36 17.458 -9.778 -5.233 1.00 0.00 O ATOM 510 CB LEU A 36 20.172 -8.758 -6.853 1.00 0.00 C ATOM 511 CG LEU A 36 21.164 -7.707 -7.353 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.810 -8.159 -8.653 1.00 0.00 C ATOM 513 CD2 LEU A 36 20.471 -6.365 -7.537 1.00 0.00 C ATOM 0 H LEU A 36 21.269 -7.807 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 36 18.646 -7.639 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.717 -9.684 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.458 -8.963 -7.651 1.00 0.00 H new ATOM 0 HG LEU A 36 21.947 -7.589 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 36 22.513 -7.399 -8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.341 -9.096 -8.489 1.00 0.00 H new ATOM 0 HD13 LEU A 36 21.040 -8.306 -9.410 1.00 0.00 H new ATOM 0 HD21 LEU A 36 21.192 -5.629 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.667 -6.468 -8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 36 20.057 -6.036 -6.584 1.00 0.00 H new ATOM 525 N LEU A 37 19.415 -10.508 -4.396 1.00 0.00 N ATOM 526 CA LEU A 37 18.845 -11.727 -3.833 1.00 0.00 C ATOM 527 C LEU A 37 17.772 -11.399 -2.799 1.00 0.00 C ATOM 528 O LEU A 37 16.638 -11.867 -2.898 1.00 0.00 O ATOM 529 CB LEU A 37 19.943 -12.578 -3.192 1.00 0.00 C ATOM 530 CG LEU A 37 21.188 -12.822 -4.047 1.00 0.00 C ATOM 531 CD1 LEU A 37 22.414 -12.998 -3.165 1.00 0.00 C ATOM 532 CD2 LEU A 37 20.991 -14.038 -4.940 1.00 0.00 C ATOM 0 H LEU A 37 20.417 -10.400 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 37 18.383 -12.291 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.252 -12.097 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.516 -13.544 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 37 21.346 -11.951 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 37 23.290 -13.171 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.565 -12.098 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.267 -13.851 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 37 21.886 -14.197 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 37 20.808 -14.917 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.137 -13.872 -5.597 1.00 0.00 H new ATOM 544 N ARG A 38 18.138 -10.591 -1.810 1.00 0.00 N ATOM 545 CA ARG A 38 17.207 -10.199 -0.759 1.00 0.00 C ATOM 546 C ARG A 38 15.965 -9.539 -1.351 1.00 0.00 C ATOM 547 O ARG A 38 16.062 -8.561 -2.092 1.00 0.00 O ATOM 548 CB ARG A 38 17.886 -9.244 0.224 1.00 0.00 C ATOM 549 CG ARG A 38 19.008 -9.887 1.022 1.00 0.00 C ATOM 550 CD ARG A 38 18.524 -11.120 1.770 1.00 0.00 C ATOM 551 NE ARG A 38 18.616 -12.326 0.953 1.00 0.00 N ATOM 552 CZ ARG A 38 19.764 -12.919 0.643 1.00 0.00 C ATOM 553 NH1 ARG A 38 20.911 -12.418 1.081 1.00 0.00 N ATOM 554 NH2 ARG A 38 19.766 -14.014 -0.106 1.00 0.00 N ATOM 0 H ARG A 38 19.073 -10.195 -1.714 1.00 0.00 H new ATOM 0 HA ARG A 38 16.900 -11.099 -0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 38 18.285 -8.393 -0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 38 17.138 -8.854 0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.821 -10.163 0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.412 -9.165 1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 38 19.116 -11.250 2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.490 -10.972 2.083 1.00 0.00 H new ATOM 0 HE ARG A 38 17.751 -12.736 0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 38 20.913 -11.576 1.657 1.00 0.00 H new ATOM 0 HH12 ARG A 38 21.791 -12.875 0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.886 -14.402 -0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 38 20.648 -14.468 -0.343 1.00 0.00 H new ATOM 568 N LYS A 39 14.798 -10.082 -1.020 1.00 0.00 N ATOM 569 CA LYS A 39 13.536 -9.547 -1.517 1.00 0.00 C ATOM 570 C LYS A 39 12.569 -9.277 -0.369 1.00 0.00 C ATOM 571 O LYS A 39 12.181 -10.180 0.373 1.00 0.00 O ATOM 572 CB LYS A 39 12.903 -10.521 -2.513 1.00 0.00 C ATOM 573 CG LYS A 39 11.589 -10.028 -3.094 1.00 0.00 C ATOM 574 CD LYS A 39 10.845 -11.140 -3.814 1.00 0.00 C ATOM 575 CE LYS A 39 11.358 -11.325 -5.234 1.00 0.00 C ATOM 576 NZ LYS A 39 10.387 -12.070 -6.082 1.00 0.00 N ATOM 0 H LYS A 39 14.700 -10.893 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 39 13.744 -8.604 -2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.605 -10.703 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.735 -11.477 -2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.964 -9.629 -2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.781 -9.209 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.958 -12.072 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.780 -10.911 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.555 -10.350 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.306 -11.862 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.774 -12.175 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.218 -13.011 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.490 -11.545 -6.126 1.00 0.00 H new ATOM 590 N PRO A 40 12.168 -8.006 -0.217 1.00 0.00 N ATOM 591 CA PRO A 40 11.240 -7.589 0.838 1.00 0.00 C ATOM 592 C PRO A 40 9.826 -8.110 0.605 1.00 0.00 C ATOM 593 O PRO A 40 9.527 -8.677 -0.447 1.00 0.00 O ATOM 594 CB PRO A 40 11.268 -6.061 0.751 1.00 0.00 C ATOM 595 CG PRO A 40 11.662 -5.769 -0.655 1.00 0.00 C ATOM 596 CD PRO A 40 12.590 -6.878 -1.064 1.00 0.00 C ATOM 0 HA PRO A 40 11.530 -7.979 1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.293 -5.633 0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.981 -5.637 1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.788 -5.732 -1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.156 -4.800 -0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.493 -7.113 -2.124 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.633 -6.614 -0.891 1.00 0.00 H new ATOM 604 N THR A 41 8.957 -7.915 1.592 1.00 0.00 N ATOM 605 CA THR A 41 7.575 -8.366 1.495 1.00 0.00 C ATOM 606 C THR A 41 6.605 -7.242 1.840 1.00 0.00 C ATOM 607 O THR A 41 6.761 -6.565 2.857 1.00 0.00 O ATOM 608 CB THR A 41 7.308 -9.564 2.425 1.00 0.00 C ATOM 609 OG1 THR A 41 8.355 -10.531 2.291 1.00 0.00 O ATOM 610 CG2 THR A 41 5.969 -10.210 2.104 1.00 0.00 C ATOM 0 H THR A 41 9.187 -7.447 2.469 1.00 0.00 H new ATOM 0 HA THR A 41 7.415 -8.676 0.462 1.00 0.00 H new ATOM 0 HB THR A 41 7.280 -9.200 3.452 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.179 -11.289 2.887 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.802 -11.054 2.774 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.171 -9.479 2.236 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.972 -10.561 1.072 1.00 0.00 H new ATOM 618 N ILE A 42 5.602 -7.049 0.990 1.00 0.00 N ATOM 619 CA ILE A 42 4.606 -6.008 1.207 1.00 0.00 C ATOM 620 C ILE A 42 3.229 -6.610 1.468 1.00 0.00 C ATOM 621 O ILE A 42 2.715 -7.384 0.661 1.00 0.00 O ATOM 622 CB ILE A 42 4.516 -5.054 0.002 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.555 -3.902 0.305 1.00 0.00 C ATOM 624 CG2 ILE A 42 4.069 -5.810 -1.240 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.893 -2.624 -0.428 1.00 0.00 C ATOM 0 H ILE A 42 5.458 -7.601 0.144 1.00 0.00 H new ATOM 0 HA ILE A 42 4.926 -5.444 2.083 1.00 0.00 H new ATOM 0 HB ILE A 42 5.505 -4.637 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.542 -4.206 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.560 -3.708 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.010 -5.122 -2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.788 -6.598 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.089 -6.252 -1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.170 -1.852 -0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.893 -2.296 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.860 -2.801 -1.503 1.00 0.00 H new ATOM 637 N LYS A 43 2.637 -6.249 2.601 1.00 0.00 N ATOM 638 CA LYS A 43 1.318 -6.751 2.969 1.00 0.00 C ATOM 639 C LYS A 43 0.323 -5.604 3.122 1.00 0.00 C ATOM 640 O LYS A 43 0.493 -4.732 3.974 1.00 0.00 O ATOM 641 CB LYS A 43 1.398 -7.547 4.274 1.00 0.00 C ATOM 642 CG LYS A 43 0.203 -8.455 4.506 1.00 0.00 C ATOM 643 CD LYS A 43 0.422 -9.831 3.900 1.00 0.00 C ATOM 644 CE LYS A 43 1.273 -10.710 4.804 1.00 0.00 C ATOM 645 NZ LYS A 43 1.613 -12.007 4.157 1.00 0.00 N ATOM 0 H LYS A 43 3.050 -5.610 3.281 1.00 0.00 H new ATOM 0 HA LYS A 43 0.971 -7.407 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.306 -8.150 4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.483 -6.852 5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.021 -8.553 5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.688 -8.003 4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.541 -10.311 3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.907 -9.729 2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.191 -10.182 5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.739 -10.898 5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.193 -12.577 4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.738 -12.522 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.145 -11.829 3.281 1.00 0.00 H new ATOM 659 N TRP A 44 -0.714 -5.614 2.293 1.00 0.00 N ATOM 660 CA TRP A 44 -1.737 -4.575 2.338 1.00 0.00 C ATOM 661 C TRP A 44 -2.808 -4.910 3.370 1.00 0.00 C ATOM 662 O TRP A 44 -3.122 -6.078 3.597 1.00 0.00 O ATOM 663 CB TRP A 44 -2.377 -4.401 0.959 1.00 0.00 C ATOM 664 CG TRP A 44 -1.375 -4.237 -0.144 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.682 -5.229 -0.776 1.00 0.00 C ATOM 666 CD2 TRP A 44 -0.954 -3.006 -0.743 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.145 -4.690 -1.731 1.00 0.00 N ATOM 668 CE2 TRP A 44 -0.004 -3.328 -1.732 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.289 -1.664 -0.541 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.614 -2.356 -2.514 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.674 -0.701 -1.318 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.268 -1.050 -2.295 1.00 0.00 C ATOM 0 H TRP A 44 -0.869 -6.329 1.582 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.258 -3.640 2.629 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.004 -5.267 0.745 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.032 -3.530 0.978 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.771 -6.283 -0.557 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.769 -5.218 -2.341 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.015 -1.385 0.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.341 -2.623 -3.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.924 0.339 -1.170 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.730 -0.273 -2.887 1.00 0.00 H new ATOM 683 N PHE A 45 -3.366 -3.877 3.993 1.00 0.00 N ATOM 684 CA PHE A 45 -4.402 -4.063 5.003 1.00 0.00 C ATOM 685 C PHE A 45 -5.464 -2.972 4.899 1.00 0.00 C ATOM 686 O PHE A 45 -5.229 -1.913 4.316 1.00 0.00 O ATOM 687 CB PHE A 45 -3.786 -4.059 6.403 1.00 0.00 C ATOM 688 CG PHE A 45 -3.096 -5.345 6.758 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.814 -6.413 7.271 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.729 -5.485 6.578 1.00 0.00 C ATOM 691 CE1 PHE A 45 -3.182 -7.598 7.598 1.00 0.00 C ATOM 692 CE2 PHE A 45 -1.092 -6.668 6.903 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.819 -7.725 7.415 1.00 0.00 C ATOM 0 H PHE A 45 -3.119 -2.903 3.817 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.878 -5.028 4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.070 -3.240 6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.569 -3.862 7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.880 -6.319 7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.155 -4.661 6.180 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.753 -8.424 7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.026 -6.766 6.757 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.322 -8.649 7.672 1.00 0.00 H new ATOM 703 N LYS A 46 -6.634 -3.237 5.469 1.00 0.00 N ATOM 704 CA LYS A 46 -7.734 -2.280 5.443 1.00 0.00 C ATOM 705 C LYS A 46 -8.562 -2.367 6.721 1.00 0.00 C ATOM 706 O LYS A 46 -8.733 -3.444 7.290 1.00 0.00 O ATOM 707 CB LYS A 46 -8.627 -2.531 4.226 1.00 0.00 C ATOM 708 CG LYS A 46 -9.484 -1.337 3.844 1.00 0.00 C ATOM 709 CD LYS A 46 -10.834 -1.373 4.539 1.00 0.00 C ATOM 710 CE LYS A 46 -11.657 -0.133 4.223 1.00 0.00 C ATOM 711 NZ LYS A 46 -13.037 -0.228 4.775 1.00 0.00 N ATOM 0 H LYS A 46 -6.845 -4.108 5.956 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.309 -1.279 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.001 -2.805 3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.276 -3.382 4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.963 -0.416 4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.630 -1.324 2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.381 -2.263 4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.688 -1.449 5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.161 0.746 4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.707 0.005 3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.611 0.560 4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.465 -1.130 4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.000 -0.180 5.813 1.00 0.00 H new ATOM 725 N GLY A 47 -9.075 -1.224 7.168 1.00 0.00 N ATOM 726 CA GLY A 47 -9.879 -1.194 8.375 1.00 0.00 C ATOM 727 C GLY A 47 -9.064 -1.471 9.623 1.00 0.00 C ATOM 728 O GLY A 47 -7.986 -0.905 9.807 1.00 0.00 O ATOM 0 H GLY A 47 -8.948 -0.319 6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.356 -0.218 8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.677 -1.932 8.295 1.00 0.00 H new ATOM 732 N LYS A 48 -9.579 -2.342 10.484 1.00 0.00 N ATOM 733 CA LYS A 48 -8.893 -2.693 11.721 1.00 0.00 C ATOM 734 C LYS A 48 -8.241 -4.067 11.610 1.00 0.00 C ATOM 735 O LYS A 48 -7.055 -4.227 11.902 1.00 0.00 O ATOM 736 CB LYS A 48 -9.874 -2.675 12.895 1.00 0.00 C ATOM 737 CG LYS A 48 -9.252 -2.209 14.201 1.00 0.00 C ATOM 738 CD LYS A 48 -8.535 -3.343 14.913 1.00 0.00 C ATOM 739 CE LYS A 48 -7.047 -3.348 14.595 1.00 0.00 C ATOM 740 NZ LYS A 48 -6.486 -4.728 14.589 1.00 0.00 N ATOM 0 H LYS A 48 -10.471 -2.818 10.347 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.112 -1.953 11.897 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.711 -2.022 12.648 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.281 -3.677 13.033 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.548 -1.401 14.002 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.028 -1.803 14.850 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.678 -3.246 15.989 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.975 -4.296 14.617 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.882 -2.885 13.622 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.516 -2.743 15.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.602 -4.746 15.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.172 -5.383 15.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.292 -5.020 13.610 1.00 0.00 H new ATOM 754 N TRP A 49 -9.021 -5.055 11.187 1.00 0.00 N ATOM 755 CA TRP A 49 -8.518 -6.415 11.037 1.00 0.00 C ATOM 756 C TRP A 49 -8.540 -6.846 9.574 1.00 0.00 C ATOM 757 O TRP A 49 -7.674 -7.596 9.125 1.00 0.00 O ATOM 758 CB TRP A 49 -9.349 -7.384 11.879 1.00 0.00 C ATOM 759 CG TRP A 49 -9.630 -6.879 13.262 1.00 0.00 C ATOM 760 CD1 TRP A 49 -10.641 -6.042 13.639 1.00 0.00 C ATOM 761 CD2 TRP A 49 -8.889 -7.177 14.450 1.00 0.00 C ATOM 762 NE1 TRP A 49 -10.573 -5.802 14.990 1.00 0.00 N ATOM 763 CE2 TRP A 49 -9.508 -6.487 15.511 1.00 0.00 C ATOM 764 CE3 TRP A 49 -7.764 -7.961 14.722 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -9.037 -6.558 16.820 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -7.298 -8.030 16.021 1.00 0.00 C ATOM 767 CH2 TRP A 49 -7.934 -7.333 17.057 1.00 0.00 C ATOM 0 H TRP A 49 -10.004 -4.940 10.942 1.00 0.00 H new ATOM 0 HA TRP A 49 -7.486 -6.434 11.386 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.294 -7.577 11.371 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -8.824 -8.337 11.948 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -11.385 -5.629 12.973 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.212 -5.209 15.519 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.268 -8.503 13.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.525 -6.021 17.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.429 -8.632 16.242 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -7.546 -7.409 18.062 1.00 0.00 H new ATOM 778 N MET A 50 -9.536 -6.365 8.836 1.00 0.00 N ATOM 779 CA MET A 50 -9.669 -6.700 7.423 1.00 0.00 C ATOM 780 C MET A 50 -8.320 -6.617 6.715 1.00 0.00 C ATOM 781 O MET A 50 -7.674 -5.569 6.712 1.00 0.00 O ATOM 782 CB MET A 50 -10.671 -5.763 6.747 1.00 0.00 C ATOM 783 CG MET A 50 -11.382 -6.388 5.558 1.00 0.00 C ATOM 784 SD MET A 50 -12.185 -5.164 4.506 1.00 0.00 S ATOM 785 CE MET A 50 -11.003 -5.040 3.167 1.00 0.00 C ATOM 0 H MET A 50 -10.261 -5.743 9.193 1.00 0.00 H new ATOM 0 HA MET A 50 -10.035 -7.724 7.351 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.414 -5.449 7.480 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.150 -4.864 6.417 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.663 -6.954 4.966 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.127 -7.097 5.917 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.812 -3.990 2.946 1.00 0.00 H new ATOM 0 HE2 MET A 50 -10.071 -5.525 3.458 1.00 0.00 H new ATOM 0 HE3 MET A 50 -11.405 -5.530 2.280 1.00 0.00 H new ATOM 795 N ASP A 51 -7.901 -7.727 6.117 1.00 0.00 N ATOM 796 CA ASP A 51 -6.629 -7.780 5.406 1.00 0.00 C ATOM 797 C ASP A 51 -6.852 -7.977 3.909 1.00 0.00 C ATOM 798 O ASP A 51 -7.324 -9.028 3.474 1.00 0.00 O ATOM 799 CB ASP A 51 -5.758 -8.909 5.958 1.00 0.00 C ATOM 800 CG ASP A 51 -4.514 -9.141 5.122 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.875 -8.146 4.720 1.00 0.00 O ATOM 802 OD2 ASP A 51 -4.179 -10.317 4.872 1.00 0.00 O ATOM 0 H ASP A 51 -8.424 -8.603 6.111 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.116 -6.830 5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.466 -8.672 6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.342 -9.828 5.998 1.00 0.00 H new ATOM 807 N LEU A 52 -6.510 -6.959 3.127 1.00 0.00 N ATOM 808 CA LEU A 52 -6.673 -7.019 1.678 1.00 0.00 C ATOM 809 C LEU A 52 -5.929 -8.217 1.096 1.00 0.00 C ATOM 810 O LEU A 52 -6.414 -8.873 0.175 1.00 0.00 O ATOM 811 CB LEU A 52 -6.167 -5.728 1.034 1.00 0.00 C ATOM 812 CG LEU A 52 -6.674 -4.425 1.654 1.00 0.00 C ATOM 813 CD1 LEU A 52 -6.036 -3.225 0.972 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.191 -4.347 1.566 1.00 0.00 C ATOM 0 H LEU A 52 -6.118 -6.082 3.471 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.735 -7.133 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.078 -5.727 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.445 -5.738 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.390 -4.412 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.409 -2.307 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.953 -3.274 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.288 -3.233 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.534 -3.413 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.497 -4.384 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.630 -5.188 2.102 1.00 0.00 H new ATOM 826 N ALA A 53 -4.750 -8.497 1.641 1.00 0.00 N ATOM 827 CA ALA A 53 -3.941 -9.618 1.179 1.00 0.00 C ATOM 828 C ALA A 53 -4.792 -10.869 0.995 1.00 0.00 C ATOM 829 O ALA A 53 -4.697 -11.552 -0.025 1.00 0.00 O ATOM 830 CB ALA A 53 -2.806 -9.888 2.156 1.00 0.00 C ATOM 0 H ALA A 53 -4.334 -7.963 2.403 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.516 -9.353 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.210 -10.728 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.175 -9.003 2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.219 -10.127 3.136 1.00 0.00 H new ATOM 836 N SER A 54 -5.623 -11.166 1.989 1.00 0.00 N ATOM 837 CA SER A 54 -6.488 -12.339 1.938 1.00 0.00 C ATOM 838 C SER A 54 -7.655 -12.112 0.982 1.00 0.00 C ATOM 839 O SER A 54 -8.187 -13.056 0.397 1.00 0.00 O ATOM 840 CB SER A 54 -7.016 -12.671 3.335 1.00 0.00 C ATOM 841 OG SER A 54 -7.974 -13.714 3.285 1.00 0.00 O ATOM 0 H SER A 54 -5.716 -10.611 2.839 1.00 0.00 H new ATOM 0 HA SER A 54 -5.898 -13.179 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.188 -12.965 3.980 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.465 -11.782 3.778 1.00 0.00 H new ATOM 0 HG SER A 54 -8.294 -13.908 4.191 1.00 0.00 H new ATOM 847 N LYS A 55 -8.050 -10.853 0.828 1.00 0.00 N ATOM 848 CA LYS A 55 -9.153 -10.499 -0.057 1.00 0.00 C ATOM 849 C LYS A 55 -8.748 -10.656 -1.520 1.00 0.00 C ATOM 850 O LYS A 55 -9.584 -10.940 -2.377 1.00 0.00 O ATOM 851 CB LYS A 55 -9.604 -9.061 0.207 1.00 0.00 C ATOM 852 CG LYS A 55 -9.965 -8.793 1.658 1.00 0.00 C ATOM 853 CD LYS A 55 -11.327 -9.369 2.009 1.00 0.00 C ATOM 854 CE LYS A 55 -11.959 -8.630 3.179 1.00 0.00 C ATOM 855 NZ LYS A 55 -13.311 -9.164 3.506 1.00 0.00 N ATOM 0 H LYS A 55 -7.622 -10.060 1.305 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.982 -11.176 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.808 -8.379 -0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.467 -8.839 -0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.206 -9.228 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.965 -7.719 1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.984 -9.308 1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.224 -10.425 2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.314 -8.714 4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.035 -7.569 2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.709 -8.635 4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.934 -9.060 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.235 -10.170 3.758 1.00 0.00 H new ATOM 869 N ALA A 56 -7.462 -10.470 -1.796 1.00 0.00 N ATOM 870 CA ALA A 56 -6.947 -10.594 -3.154 1.00 0.00 C ATOM 871 C ALA A 56 -7.272 -11.963 -3.742 1.00 0.00 C ATOM 872 O ALA A 56 -6.900 -12.994 -3.182 1.00 0.00 O ATOM 873 CB ALA A 56 -5.445 -10.353 -3.173 1.00 0.00 C ATOM 0 H ALA A 56 -6.758 -10.233 -1.098 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.433 -9.838 -3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.074 -10.449 -4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.233 -9.350 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.951 -11.087 -2.537 1.00 0.00 H new ATOM 879 N GLY A 57 -7.970 -11.966 -4.874 1.00 0.00 N ATOM 880 CA GLY A 57 -8.334 -13.215 -5.517 1.00 0.00 C ATOM 881 C GLY A 57 -9.120 -13.000 -6.796 1.00 0.00 C ATOM 882 O GLY A 57 -8.757 -13.521 -7.851 1.00 0.00 O ATOM 0 H GLY A 57 -8.290 -11.126 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.430 -13.782 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.926 -13.817 -4.827 1.00 0.00 H new ATOM 886 N LYS A 58 -10.200 -12.233 -6.702 1.00 0.00 N ATOM 887 CA LYS A 58 -11.041 -11.950 -7.860 1.00 0.00 C ATOM 888 C LYS A 58 -11.280 -10.451 -8.006 1.00 0.00 C ATOM 889 O LYS A 58 -10.739 -9.811 -8.908 1.00 0.00 O ATOM 890 CB LYS A 58 -12.379 -12.681 -7.734 1.00 0.00 C ATOM 891 CG LYS A 58 -12.401 -14.033 -8.426 1.00 0.00 C ATOM 892 CD LYS A 58 -13.491 -14.930 -7.863 1.00 0.00 C ATOM 893 CE LYS A 58 -13.015 -15.678 -6.628 1.00 0.00 C ATOM 894 NZ LYS A 58 -14.089 -16.533 -6.049 1.00 0.00 N ATOM 0 H LYS A 58 -10.514 -11.796 -5.836 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.522 -12.305 -8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.610 -12.819 -6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.167 -12.055 -8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.560 -13.893 -9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.432 -14.519 -8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.364 -14.329 -7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.805 -15.645 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.157 -16.298 -6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.676 -14.963 -5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.725 -17.026 -5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.898 -15.938 -5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.395 -17.232 -6.756 1.00 0.00 H new ATOM 908 N HIS A 59 -12.093 -9.896 -7.112 1.00 0.00 N ATOM 909 CA HIS A 59 -12.402 -8.471 -7.140 1.00 0.00 C ATOM 910 C HIS A 59 -11.155 -7.639 -6.853 1.00 0.00 C ATOM 911 O HIS A 59 -11.131 -6.433 -7.100 1.00 0.00 O ATOM 912 CB HIS A 59 -13.493 -8.144 -6.121 1.00 0.00 C ATOM 913 CG HIS A 59 -14.815 -8.773 -6.437 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.551 -8.455 -7.559 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.533 -9.707 -5.771 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.665 -9.165 -7.568 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.678 -9.934 -6.494 1.00 0.00 N ATOM 0 H HIS A 59 -12.549 -10.412 -6.360 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.762 -8.222 -8.138 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.169 -8.475 -5.135 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.618 -7.062 -6.069 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.257 -10.185 -4.843 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.434 -9.124 -8.325 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.418 -10.590 -6.243 1.00 0.00 H new ATOM 926 N LEU A 60 -10.123 -8.291 -6.330 1.00 0.00 N ATOM 927 CA LEU A 60 -8.872 -7.612 -6.009 1.00 0.00 C ATOM 928 C LEU A 60 -7.674 -8.408 -6.515 1.00 0.00 C ATOM 929 O LEU A 60 -7.684 -9.638 -6.501 1.00 0.00 O ATOM 930 CB LEU A 60 -8.757 -7.401 -4.498 1.00 0.00 C ATOM 931 CG LEU A 60 -7.427 -6.838 -3.998 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.484 -5.320 -3.924 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.075 -7.427 -2.639 1.00 0.00 C ATOM 0 H LEU A 60 -10.127 -9.289 -6.119 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.876 -6.642 -6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.555 -6.728 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.933 -8.356 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.647 -7.118 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.528 -4.937 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.689 -4.915 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.276 -5.019 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.125 -7.015 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.857 -7.178 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.991 -8.511 -2.723 1.00 0.00 H new ATOM 945 N GLN A 61 -6.643 -7.696 -6.960 1.00 0.00 N ATOM 946 CA GLN A 61 -5.437 -8.337 -7.470 1.00 0.00 C ATOM 947 C GLN A 61 -4.206 -7.480 -7.192 1.00 0.00 C ATOM 948 O GLN A 61 -4.139 -6.321 -7.602 1.00 0.00 O ATOM 949 CB GLN A 61 -5.565 -8.594 -8.972 1.00 0.00 C ATOM 950 CG GLN A 61 -6.700 -9.539 -9.333 1.00 0.00 C ATOM 951 CD GLN A 61 -6.304 -10.998 -9.212 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.974 -11.648 -10.204 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.336 -11.520 -7.991 1.00 0.00 N ATOM 0 H GLN A 61 -6.619 -6.676 -6.978 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.318 -9.290 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.718 -7.644 -9.483 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.627 -9.008 -9.343 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.552 -9.342 -8.683 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.025 -9.338 -10.354 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.616 -10.944 -7.197 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.081 -12.497 -7.847 1.00 0.00 H new ATOM 962 N LEU A 62 -3.235 -8.058 -6.493 1.00 0.00 N ATOM 963 CA LEU A 62 -2.005 -7.347 -6.160 1.00 0.00 C ATOM 964 C LEU A 62 -0.940 -7.571 -7.228 1.00 0.00 C ATOM 965 O LEU A 62 -1.052 -8.479 -8.051 1.00 0.00 O ATOM 966 CB LEU A 62 -1.482 -7.804 -4.797 1.00 0.00 C ATOM 967 CG LEU A 62 -2.528 -7.951 -3.691 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.904 -8.557 -2.444 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.160 -6.603 -3.373 1.00 0.00 C ATOM 0 H LEU A 62 -3.275 -9.016 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.230 -6.281 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.981 -8.764 -4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.727 -7.093 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.311 -8.623 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.663 -8.654 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.499 -9.541 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.102 -7.911 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.902 -6.726 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.388 -5.909 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.643 -6.208 -4.267 1.00 0.00 H new ATOM 981 N LYS A 63 0.095 -6.738 -7.207 1.00 0.00 N ATOM 982 CA LYS A 63 1.184 -6.847 -8.171 1.00 0.00 C ATOM 983 C LYS A 63 2.533 -6.623 -7.495 1.00 0.00 C ATOM 984 O LYS A 63 2.622 -5.932 -6.481 1.00 0.00 O ATOM 985 CB LYS A 63 0.994 -5.833 -9.302 1.00 0.00 C ATOM 986 CG LYS A 63 1.510 -6.318 -10.646 1.00 0.00 C ATOM 987 CD LYS A 63 1.285 -5.284 -11.736 1.00 0.00 C ATOM 988 CE LYS A 63 2.142 -5.568 -12.960 1.00 0.00 C ATOM 989 NZ LYS A 63 3.553 -5.135 -12.761 1.00 0.00 N ATOM 0 H LYS A 63 0.203 -5.980 -6.533 1.00 0.00 H new ATOM 0 HA LYS A 63 1.169 -7.854 -8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.066 -5.597 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.505 -4.907 -9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.574 -6.541 -10.569 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.008 -7.247 -10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.233 -5.277 -12.021 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.517 -4.291 -11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.117 -6.635 -13.181 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.723 -5.053 -13.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.964 -4.861 -13.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.579 -4.322 -12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.103 -5.919 -12.355 1.00 0.00 H new ATOM 1003 N GLU A 64 3.580 -7.211 -8.065 1.00 0.00 N ATOM 1004 CA GLU A 64 4.925 -7.074 -7.517 1.00 0.00 C ATOM 1005 C GLU A 64 5.977 -7.219 -8.613 1.00 0.00 C ATOM 1006 O GLU A 64 5.888 -8.106 -9.462 1.00 0.00 O ATOM 1007 CB GLU A 64 5.163 -8.120 -6.425 1.00 0.00 C ATOM 1008 CG GLU A 64 6.633 -8.396 -6.157 1.00 0.00 C ATOM 1009 CD GLU A 64 6.846 -9.327 -4.979 1.00 0.00 C ATOM 1010 OE1 GLU A 64 5.964 -9.380 -4.097 1.00 0.00 O ATOM 1011 OE2 GLU A 64 7.896 -10.002 -4.940 1.00 0.00 O ATOM 0 H GLU A 64 3.523 -7.786 -8.905 1.00 0.00 H new ATOM 0 HA GLU A 64 5.013 -6.078 -7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.691 -7.783 -5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.674 -9.051 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.085 -8.833 -7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.147 -7.454 -5.968 1.00 0.00 H new ATOM 1018 N THR A 65 6.974 -6.339 -8.587 1.00 0.00 N ATOM 1019 CA THR A 65 8.042 -6.367 -9.578 1.00 0.00 C ATOM 1020 C THR A 65 9.376 -5.964 -8.960 1.00 0.00 C ATOM 1021 O THR A 65 9.421 -5.421 -7.856 1.00 0.00 O ATOM 1022 CB THR A 65 7.734 -5.431 -10.762 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.604 -5.727 -11.860 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.899 -3.974 -10.357 1.00 0.00 C ATOM 0 H THR A 65 7.063 -5.599 -7.891 1.00 0.00 H new ATOM 0 HA THR A 65 8.108 -7.392 -9.942 1.00 0.00 H new ATOM 0 HB THR A 65 6.699 -5.593 -11.065 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.401 -5.129 -12.609 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.676 -3.332 -11.209 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.215 -3.744 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.925 -3.801 -10.031 1.00 0.00 H new ATOM 1032 N PHE A 66 10.461 -6.232 -9.679 1.00 0.00 N ATOM 1033 CA PHE A 66 11.797 -5.897 -9.200 1.00 0.00 C ATOM 1034 C PHE A 66 12.608 -5.204 -10.291 1.00 0.00 C ATOM 1035 O PHE A 66 12.529 -5.569 -11.463 1.00 0.00 O ATOM 1036 CB PHE A 66 12.525 -7.158 -8.731 1.00 0.00 C ATOM 1037 CG PHE A 66 13.975 -6.930 -8.412 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.346 -6.095 -7.371 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.967 -7.550 -9.155 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.679 -5.883 -7.074 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.302 -7.342 -8.862 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.658 -6.507 -7.822 1.00 0.00 C ATOM 0 H PHE A 66 10.441 -6.680 -10.595 1.00 0.00 H new ATOM 0 HA PHE A 66 11.693 -5.212 -8.359 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.024 -7.549 -7.846 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.447 -7.922 -9.505 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.584 -5.604 -6.784 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.694 -8.202 -9.971 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.955 -5.231 -6.259 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.066 -7.833 -9.447 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.701 -6.342 -7.594 1.00 0.00 H new ATOM 1052 N GLU A 67 13.386 -4.201 -9.895 1.00 0.00 N ATOM 1053 CA GLU A 67 14.210 -3.456 -10.840 1.00 0.00 C ATOM 1054 C GLU A 67 15.673 -3.460 -10.406 1.00 0.00 C ATOM 1055 O GLU A 67 16.098 -2.622 -9.610 1.00 0.00 O ATOM 1056 CB GLU A 67 13.707 -2.016 -10.964 1.00 0.00 C ATOM 1057 CG GLU A 67 12.664 -1.828 -12.052 1.00 0.00 C ATOM 1058 CD GLU A 67 12.222 -0.384 -12.193 1.00 0.00 C ATOM 1059 OE1 GLU A 67 11.343 0.046 -11.417 1.00 0.00 O ATOM 1060 OE2 GLU A 67 12.756 0.316 -13.079 1.00 0.00 O ATOM 0 H GLU A 67 13.463 -3.886 -8.928 1.00 0.00 H new ATOM 0 HA GLU A 67 14.136 -3.944 -11.812 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.284 -1.704 -10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.554 -1.360 -11.167 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.069 -2.174 -13.003 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.797 -2.450 -11.830 1.00 0.00 H new ATOM 1067 N ARG A 68 16.439 -4.409 -10.935 1.00 0.00 N ATOM 1068 CA ARG A 68 17.853 -4.524 -10.602 1.00 0.00 C ATOM 1069 C ARG A 68 18.624 -3.293 -11.071 1.00 0.00 C ATOM 1070 O ARG A 68 19.648 -2.930 -10.491 1.00 0.00 O ATOM 1071 CB ARG A 68 18.448 -5.783 -11.235 1.00 0.00 C ATOM 1072 CG ARG A 68 17.787 -6.175 -12.547 1.00 0.00 C ATOM 1073 CD ARG A 68 16.651 -7.161 -12.325 1.00 0.00 C ATOM 1074 NE ARG A 68 17.111 -8.546 -12.370 1.00 0.00 N ATOM 1075 CZ ARG A 68 16.292 -9.592 -12.395 1.00 0.00 C ATOM 1076 NH1 ARG A 68 14.979 -9.411 -12.380 1.00 0.00 N ATOM 1077 NH2 ARG A 68 16.787 -10.822 -12.435 1.00 0.00 N ATOM 0 H ARG A 68 16.103 -5.109 -11.596 1.00 0.00 H new ATOM 0 HA ARG A 68 17.940 -4.595 -9.518 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.513 -5.625 -11.407 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.359 -6.611 -10.531 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.405 -5.283 -13.044 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.529 -6.617 -13.212 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.185 -6.965 -11.359 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.885 -7.009 -13.085 1.00 0.00 H new ATOM 0 HE ARG A 68 18.116 -8.720 -12.383 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.595 -8.467 -12.349 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.353 -10.216 -12.399 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.797 -10.965 -12.447 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.158 -11.625 -12.454 1.00 0.00 H new ATOM 1091 N HIS A 69 18.125 -2.654 -12.124 1.00 0.00 N ATOM 1092 CA HIS A 69 18.766 -1.464 -12.672 1.00 0.00 C ATOM 1093 C HIS A 69 19.187 -0.512 -11.556 1.00 0.00 C ATOM 1094 O HIS A 69 20.325 -0.045 -11.522 1.00 0.00 O ATOM 1095 CB HIS A 69 17.822 -0.749 -13.639 1.00 0.00 C ATOM 1096 CG HIS A 69 17.098 -1.677 -14.565 1.00 0.00 C ATOM 1097 ND1 HIS A 69 15.919 -2.308 -14.230 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.393 -2.078 -15.824 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.521 -3.059 -15.241 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.397 -2.937 -16.221 1.00 0.00 N ATOM 0 H HIS A 69 17.278 -2.940 -12.615 1.00 0.00 H new ATOM 0 HA HIS A 69 19.658 -1.779 -13.214 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.092 -0.178 -13.065 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.394 -0.033 -14.229 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.251 -1.779 -16.407 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.630 -3.669 -15.262 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.343 -3.405 -17.126 1.00 0.00 H new ATOM 1109 N SER A 70 18.260 -0.229 -10.645 1.00 0.00 N ATOM 1110 CA SER A 70 18.534 0.671 -9.531 1.00 0.00 C ATOM 1111 C SER A 70 18.332 -0.040 -8.196 1.00 0.00 C ATOM 1112 O SER A 70 18.364 0.585 -7.136 1.00 0.00 O ATOM 1113 CB SER A 70 17.629 1.902 -9.608 1.00 0.00 C ATOM 1114 OG SER A 70 17.705 2.511 -10.885 1.00 0.00 O ATOM 0 H SER A 70 17.314 -0.610 -10.657 1.00 0.00 H new ATOM 0 HA SER A 70 19.574 0.989 -9.600 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.599 1.613 -9.400 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.920 2.620 -8.841 1.00 0.00 H new ATOM 0 HG SER A 70 17.116 3.294 -10.909 1.00 0.00 H new ATOM 1120 N ARG A 71 18.123 -1.351 -8.257 1.00 0.00 N ATOM 1121 CA ARG A 71 17.913 -2.148 -7.055 1.00 0.00 C ATOM 1122 C ARG A 71 16.735 -1.614 -6.246 1.00 0.00 C ATOM 1123 O ARG A 71 16.854 -1.365 -5.046 1.00 0.00 O ATOM 1124 CB ARG A 71 19.178 -2.152 -6.193 1.00 0.00 C ATOM 1125 CG ARG A 71 20.437 -2.522 -6.960 1.00 0.00 C ATOM 1126 CD ARG A 71 21.412 -3.297 -6.089 1.00 0.00 C ATOM 1127 NE ARG A 71 22.799 -3.082 -6.495 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.523 -2.037 -6.112 1.00 0.00 C ATOM 1129 NH1 ARG A 71 22.996 -1.116 -5.317 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.778 -1.911 -6.524 1.00 0.00 N ATOM 0 H ARG A 71 18.095 -1.884 -9.126 1.00 0.00 H new ATOM 0 HA ARG A 71 17.687 -3.169 -7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.309 -1.164 -5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.044 -2.854 -5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.171 -3.120 -7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.918 -1.617 -7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.288 -2.995 -5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.179 -4.361 -6.142 1.00 0.00 H new ATOM 0 HE ARG A 71 23.235 -3.773 -7.106 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.032 -1.209 -4.998 1.00 0.00 H new ATOM 0 HH12 ARG A 71 23.555 -0.314 -5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 71 25.187 -2.617 -7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.333 -1.108 -6.229 1.00 0.00 H new ATOM 1144 N VAL A 72 15.598 -1.438 -6.912 1.00 0.00 N ATOM 1145 CA VAL A 72 14.398 -0.934 -6.255 1.00 0.00 C ATOM 1146 C VAL A 72 13.192 -1.815 -6.561 1.00 0.00 C ATOM 1147 O VAL A 72 12.917 -2.128 -7.720 1.00 0.00 O ATOM 1148 CB VAL A 72 14.087 0.511 -6.688 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.702 0.925 -6.215 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.147 1.465 -6.160 1.00 0.00 C ATOM 0 H VAL A 72 15.483 -1.637 -7.906 1.00 0.00 H new ATOM 0 HA VAL A 72 14.593 -0.951 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 72 14.100 0.556 -7.777 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.501 1.949 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.956 0.259 -6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.656 0.865 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.911 2.481 -6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.168 1.419 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.122 1.180 -6.554 1.00 0.00 H new ATOM 1160 N TYR A 73 12.476 -2.212 -5.515 1.00 0.00 N ATOM 1161 CA TYR A 73 11.300 -3.060 -5.672 1.00 0.00 C ATOM 1162 C TYR A 73 10.031 -2.218 -5.769 1.00 0.00 C ATOM 1163 O TYR A 73 9.837 -1.273 -5.003 1.00 0.00 O ATOM 1164 CB TYR A 73 11.189 -4.035 -4.499 1.00 0.00 C ATOM 1165 CG TYR A 73 12.202 -5.157 -4.547 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.481 -4.988 -4.032 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.879 -6.387 -5.106 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.410 -6.010 -4.075 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.800 -7.416 -5.152 1.00 0.00 C ATOM 1170 CZ TYR A 73 14.064 -7.222 -4.635 1.00 0.00 C ATOM 1171 OH TYR A 73 14.986 -8.243 -4.678 1.00 0.00 O ATOM 0 H TYR A 73 12.689 -1.960 -4.550 1.00 0.00 H new ATOM 0 HA TYR A 73 11.412 -3.625 -6.597 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.313 -3.484 -3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.186 -4.462 -4.486 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.754 -4.041 -3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.890 -6.542 -5.512 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.401 -5.861 -3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.532 -8.366 -5.590 1.00 0.00 H new ATOM 0 HH TYR A 73 15.374 -8.371 -3.787 1.00 0.00 H new ATOM 1181 N THR A 74 9.168 -2.568 -6.718 1.00 0.00 N ATOM 1182 CA THR A 74 7.918 -1.847 -6.918 1.00 0.00 C ATOM 1183 C THR A 74 6.718 -2.775 -6.772 1.00 0.00 C ATOM 1184 O THR A 74 6.546 -3.711 -7.553 1.00 0.00 O ATOM 1185 CB THR A 74 7.870 -1.179 -8.305 1.00 0.00 C ATOM 1186 OG1 THR A 74 8.982 -0.290 -8.459 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.571 -0.411 -8.492 1.00 0.00 C ATOM 0 H THR A 74 9.313 -3.347 -7.360 1.00 0.00 H new ATOM 0 HA THR A 74 7.873 -1.075 -6.149 1.00 0.00 H new ATOM 0 HB THR A 74 7.923 -1.961 -9.062 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.945 0.129 -9.344 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.561 0.052 -9.479 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.728 -1.096 -8.404 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.492 0.362 -7.728 1.00 0.00 H new ATOM 1195 N PHE A 75 5.889 -2.510 -5.768 1.00 0.00 N ATOM 1196 CA PHE A 75 4.704 -3.323 -5.519 1.00 0.00 C ATOM 1197 C PHE A 75 3.432 -2.506 -5.725 1.00 0.00 C ATOM 1198 O PHE A 75 3.282 -1.420 -5.166 1.00 0.00 O ATOM 1199 CB PHE A 75 4.736 -3.888 -4.098 1.00 0.00 C ATOM 1200 CG PHE A 75 6.060 -4.491 -3.722 1.00 0.00 C ATOM 1201 CD1 PHE A 75 7.095 -3.692 -3.265 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.268 -5.857 -3.826 1.00 0.00 C ATOM 1203 CE1 PHE A 75 8.314 -4.245 -2.920 1.00 0.00 C ATOM 1204 CE2 PHE A 75 7.485 -6.415 -3.482 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.509 -5.608 -3.027 1.00 0.00 C ATOM 0 H PHE A 75 6.016 -1.738 -5.113 1.00 0.00 H new ATOM 0 HA PHE A 75 4.704 -4.149 -6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.495 -3.092 -3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.959 -4.646 -4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.948 -2.626 -3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.470 -6.493 -4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.114 -3.611 -2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 75 7.635 -7.481 -3.569 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.460 -6.042 -2.755 1.00 0.00 H new ATOM 1215 N GLU A 76 2.518 -3.038 -6.532 1.00 0.00 N ATOM 1216 CA GLU A 76 1.260 -2.357 -6.813 1.00 0.00 C ATOM 1217 C GLU A 76 0.077 -3.156 -6.273 1.00 0.00 C ATOM 1218 O GLU A 76 0.225 -4.313 -5.877 1.00 0.00 O ATOM 1219 CB GLU A 76 1.097 -2.140 -8.319 1.00 0.00 C ATOM 1220 CG GLU A 76 2.355 -1.626 -8.999 1.00 0.00 C ATOM 1221 CD GLU A 76 2.470 -2.090 -10.438 1.00 0.00 C ATOM 1222 OE1 GLU A 76 1.619 -1.692 -11.261 1.00 0.00 O ATOM 1223 OE2 GLU A 76 3.414 -2.850 -10.742 1.00 0.00 O ATOM 0 H GLU A 76 2.626 -3.937 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 76 1.281 -1.388 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.802 -3.081 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.286 -1.432 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.360 -0.536 -8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.229 -1.963 -8.441 1.00 0.00 H new ATOM 1230 N MET A 77 -1.095 -2.531 -6.259 1.00 0.00 N ATOM 1231 CA MET A 77 -2.303 -3.183 -5.768 1.00 0.00 C ATOM 1232 C MET A 77 -3.511 -2.803 -6.619 1.00 0.00 C ATOM 1233 O MET A 77 -4.029 -1.692 -6.515 1.00 0.00 O ATOM 1234 CB MET A 77 -2.555 -2.805 -4.307 1.00 0.00 C ATOM 1235 CG MET A 77 -3.736 -3.532 -3.685 1.00 0.00 C ATOM 1236 SD MET A 77 -5.268 -2.587 -3.791 1.00 0.00 S ATOM 1237 CE MET A 77 -5.133 -1.559 -2.330 1.00 0.00 C ATOM 0 H MET A 77 -1.234 -1.574 -6.582 1.00 0.00 H new ATOM 0 HA MET A 77 -2.157 -4.261 -5.837 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.659 -3.021 -3.725 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.726 -1.730 -4.243 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.870 -4.492 -4.184 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.517 -3.745 -2.639 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.964 -0.854 -2.303 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.161 -2.187 -1.439 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.192 -1.010 -2.357 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.953 -3.733 -7.460 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.098 -3.494 -8.329 1.00 0.00 C ATOM 1249 C GLN A 78 -6.402 -3.845 -7.620 1.00 0.00 C ATOM 1250 O GLN A 78 -6.480 -4.842 -6.901 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.968 -4.310 -9.616 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.428 -3.565 -10.859 1.00 0.00 C ATOM 1253 CD GLN A 78 -5.104 -4.309 -12.139 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -5.961 -4.473 -13.009 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.863 -4.765 -12.262 1.00 0.00 N ATOM 0 H GLN A 78 -3.535 -4.658 -7.557 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.116 -2.433 -8.580 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.927 -4.606 -9.745 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.550 -5.226 -9.516 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.504 -3.400 -10.802 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.956 -2.583 -10.885 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.185 -4.606 -11.516 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.588 -5.274 -13.102 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.423 -3.020 -7.827 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.724 -3.244 -7.209 1.00 0.00 C ATOM 1266 C ILE A 79 -9.837 -3.237 -8.251 1.00 0.00 C ATOM 1267 O ILE A 79 -10.288 -2.177 -8.684 1.00 0.00 O ATOM 1268 CB ILE A 79 -9.030 -2.179 -6.140 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.938 -2.173 -5.067 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.393 -2.433 -5.514 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.435 -1.751 -3.702 1.00 0.00 C ATOM 0 H ILE A 79 -7.374 -2.190 -8.418 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.682 -4.224 -6.733 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.048 -1.200 -6.619 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.505 -3.171 -4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.138 -1.501 -5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.595 -1.672 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.161 -2.392 -6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.401 -3.418 -5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.608 -1.770 -2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.841 -0.741 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.214 -2.437 -3.370 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.277 -4.427 -8.647 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.339 -4.557 -9.636 1.00 0.00 C ATOM 1285 C ILE A 80 -12.713 -4.516 -8.975 1.00 0.00 C ATOM 1286 O ILE A 80 -12.902 -5.040 -7.877 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.206 -5.866 -10.436 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.731 -6.192 -10.680 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.956 -5.759 -11.756 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.121 -7.071 -9.611 1.00 0.00 C ATOM 0 H ILE A 80 -9.914 -5.314 -8.298 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.241 -3.712 -10.318 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.647 -6.676 -9.855 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.632 -6.687 -11.646 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.167 -5.261 -10.739 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.852 -6.692 -12.310 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.011 -5.568 -11.560 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.542 -4.940 -12.344 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.074 -7.261 -9.849 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.188 -6.569 -8.646 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.660 -8.017 -9.566 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.671 -3.892 -9.652 1.00 0.00 N ATOM 1303 CA LYS A 81 -15.029 -3.784 -9.134 1.00 0.00 C ATOM 1304 C LYS A 81 -15.024 -3.277 -7.695 1.00 0.00 C ATOM 1305 O LYS A 81 -15.678 -3.849 -6.823 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.733 -5.141 -9.205 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.632 -5.808 -10.566 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.824 -6.711 -10.834 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.604 -7.574 -12.067 1.00 0.00 C ATOM 1310 NZ LYS A 81 -17.032 -6.880 -13.313 1.00 0.00 N ATOM 0 H LYS A 81 -13.531 -3.453 -10.562 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.571 -3.067 -9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.304 -5.803 -8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.785 -5.009 -8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.570 -5.045 -11.342 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.713 -6.392 -10.619 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.000 -7.350 -9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.719 -6.103 -10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.549 -7.838 -12.142 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.159 -8.506 -11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.866 -7.501 -14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.045 -6.651 -13.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.485 -6.003 -13.427 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.284 -2.200 -7.455 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.198 -1.614 -6.123 1.00 0.00 C ATOM 1326 C ALA A 82 -15.585 -1.383 -5.534 1.00 0.00 C ATOM 1327 O ALA A 82 -16.381 -0.616 -6.075 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.418 -0.308 -6.170 1.00 0.00 C ATOM 0 H ALA A 82 -13.735 -1.715 -8.165 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.671 -2.316 -5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.362 0.118 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.411 -0.499 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.922 0.393 -6.835 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.869 -2.051 -4.421 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.160 -1.919 -3.757 1.00 0.00 C ATOM 1336 C LYS A 83 -17.108 -0.843 -2.677 1.00 0.00 C ATOM 1337 O LYS A 83 -16.031 -0.389 -2.290 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.580 -3.255 -3.141 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.253 -4.456 -4.012 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.532 -5.762 -3.289 1.00 0.00 C ATOM 1341 CE LYS A 83 -17.059 -6.960 -4.099 1.00 0.00 C ATOM 1342 NZ LYS A 83 -17.864 -7.143 -5.339 1.00 0.00 N ATOM 0 H LYS A 83 -15.221 -2.690 -3.960 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.896 -1.624 -4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.087 -3.372 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.653 -3.236 -2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.842 -4.413 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.204 -4.419 -4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.033 -5.757 -2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.601 -5.851 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.010 -6.829 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -17.123 -7.860 -3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.009 -8.158 -5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.786 -6.675 -5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.359 -6.723 -6.146 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.278 -0.441 -2.192 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.366 0.580 -1.154 1.00 0.00 C ATOM 1358 C ASP A 84 -17.580 0.163 0.085 1.00 0.00 C ATOM 1359 O ASP A 84 -17.140 1.006 0.866 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.827 0.838 -0.785 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.314 -0.076 0.323 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -20.613 -1.254 0.032 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -20.396 0.386 1.480 1.00 0.00 O ATOM 0 H ASP A 84 -19.179 -0.807 -2.501 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.931 1.500 -1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.942 1.876 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.452 0.699 -1.667 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.410 -1.143 0.260 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.679 -1.672 1.406 1.00 0.00 C ATOM 1370 C ASN A 85 -15.182 -1.415 1.262 1.00 0.00 C ATOM 1371 O ASN A 85 -14.430 -1.507 2.232 1.00 0.00 O ATOM 1372 CB ASN A 85 -16.938 -3.173 1.554 1.00 0.00 C ATOM 1373 CG ASN A 85 -18.387 -3.480 1.880 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -19.258 -2.618 1.761 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -18.652 -4.714 2.293 1.00 0.00 N ATOM 0 H ASN A 85 -17.768 -1.855 -0.377 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.034 -1.159 2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.661 -3.680 0.629 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.299 -3.573 2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.609 -4.979 2.526 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -17.899 -5.397 2.377 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.757 -1.093 0.045 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.350 -0.822 -0.226 1.00 0.00 C ATOM 1384 C PHE A 86 -12.965 0.578 0.241 1.00 0.00 C ATOM 1385 O PHE A 86 -11.788 0.937 0.257 1.00 0.00 O ATOM 1386 CB PHE A 86 -13.060 -0.971 -1.721 1.00 0.00 C ATOM 1387 CG PHE A 86 -13.100 -2.393 -2.202 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.215 -3.184 -1.973 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -12.025 -2.939 -2.883 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.255 -4.493 -2.413 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -12.059 -4.248 -3.326 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.176 -5.026 -3.092 1.00 0.00 C ATOM 0 H PHE A 86 -15.366 -1.013 -0.769 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.753 -1.547 0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.787 -0.385 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.077 -0.551 -1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -15.062 -2.772 -1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.150 -2.335 -3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.129 -5.099 -2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.213 -4.662 -3.855 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.206 -6.048 -3.439 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.966 1.364 0.622 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.734 2.724 1.092 1.00 0.00 C ATOM 1404 C ALA A 87 -13.471 2.749 2.594 1.00 0.00 C ATOM 1405 O ALA A 87 -14.294 2.290 3.385 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.920 3.612 0.746 1.00 0.00 C ATOM 0 H ALA A 87 -14.946 1.082 0.614 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.847 3.109 0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.733 4.625 1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.059 3.628 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.819 3.220 1.222 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.319 3.288 2.980 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.969 3.362 4.386 1.00 0.00 C ATOM 1414 C GLY A 88 -10.492 3.628 4.603 1.00 0.00 C ATOM 1415 O GLY A 88 -9.833 4.233 3.759 1.00 0.00 O ATOM 0 H GLY A 88 -11.622 3.675 2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.551 4.152 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.242 2.427 4.875 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.972 3.175 5.739 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.564 3.370 6.066 1.00 0.00 C ATOM 1421 C ASN A 89 -7.727 2.185 5.593 1.00 0.00 C ATOM 1422 O ASN A 89 -8.037 1.032 5.898 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.390 3.562 7.574 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.950 3.838 7.959 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.413 3.222 8.881 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.316 4.768 7.254 1.00 0.00 N ATOM 0 H ASN A 89 -10.504 2.671 6.448 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.218 4.266 5.551 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.017 4.389 7.907 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.737 2.669 8.094 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.345 4.997 7.468 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.800 5.253 6.499 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.666 2.476 4.849 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.786 1.435 4.333 1.00 0.00 C ATOM 1435 C TYR A 90 -4.439 1.456 5.049 1.00 0.00 C ATOM 1436 O TYR A 90 -3.858 2.518 5.271 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.579 1.612 2.828 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.715 1.068 1.992 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -8.030 1.435 2.247 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.472 0.186 0.945 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -9.071 0.939 1.487 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.507 -0.313 0.178 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.804 0.066 0.453 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.838 -0.429 -0.308 1.00 0.00 O ATOM 0 H TYR A 90 -6.395 3.424 4.590 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.260 0.471 4.517 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.454 2.672 2.609 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.654 1.115 2.536 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.242 2.121 3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.457 -0.114 0.728 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.088 1.233 1.701 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.301 -0.996 -0.633 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.515 0.269 -0.434 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.948 0.274 5.407 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.670 0.155 6.098 1.00 0.00 C ATOM 1456 C ARG A 91 -1.762 -0.850 5.395 1.00 0.00 C ATOM 1457 O ARG A 91 -2.216 -1.904 4.948 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.889 -0.270 7.551 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.709 0.034 8.460 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.616 -0.963 9.605 1.00 0.00 C ATOM 1461 NE ARG A 91 -0.970 -0.387 10.781 1.00 0.00 N ATOM 1462 CZ ARG A 91 -1.055 -0.912 11.998 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -1.756 -2.020 12.197 1.00 0.00 N ATOM 1464 NH2 ARG A 91 -0.439 -0.330 13.018 1.00 0.00 N ATOM 0 H ARG A 91 -4.416 -0.615 5.230 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.185 1.131 6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.774 0.234 7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.093 -1.340 7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.786 0.011 7.880 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.808 1.043 8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.617 -1.303 9.871 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.058 -1.840 9.278 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.423 0.466 10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.231 -2.470 11.415 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.820 -2.422 13.132 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.101 0.522 12.869 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.505 -0.735 13.952 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.480 -0.516 5.300 1.00 0.00 N ATOM 1479 CA CYS A 92 0.491 -1.388 4.650 1.00 0.00 C ATOM 1480 C CYS A 92 1.706 -1.612 5.545 1.00 0.00 C ATOM 1481 O CYS A 92 1.970 -0.828 6.455 1.00 0.00 O ATOM 1482 CB CYS A 92 0.931 -0.789 3.313 1.00 0.00 C ATOM 1483 SG CYS A 92 2.063 -1.838 2.371 1.00 0.00 S ATOM 0 H CYS A 92 -0.089 0.352 5.665 1.00 0.00 H new ATOM 0 HA CYS A 92 0.013 -2.351 4.469 1.00 0.00 H new ATOM 0 HB2 CYS A 92 0.047 -0.591 2.707 1.00 0.00 H new ATOM 0 HB3 CYS A 92 1.412 0.172 3.498 1.00 0.00 H new ATOM 0 HG CYS A 92 3.092 -1.138 1.996 1.00 0.00 H new ATOM 1489 N GLU A 93 2.439 -2.689 5.280 1.00 0.00 N ATOM 1490 CA GLU A 93 3.624 -3.017 6.064 1.00 0.00 C ATOM 1491 C GLU A 93 4.667 -3.724 5.203 1.00 0.00 C ATOM 1492 O GLU A 93 4.414 -4.799 4.658 1.00 0.00 O ATOM 1493 CB GLU A 93 3.246 -3.900 7.255 1.00 0.00 C ATOM 1494 CG GLU A 93 2.383 -3.194 8.286 1.00 0.00 C ATOM 1495 CD GLU A 93 1.942 -4.114 9.407 1.00 0.00 C ATOM 1496 OE1 GLU A 93 1.419 -5.208 9.107 1.00 0.00 O ATOM 1497 OE2 GLU A 93 2.120 -3.741 10.586 1.00 0.00 O ATOM 0 H GLU A 93 2.233 -3.348 4.529 1.00 0.00 H new ATOM 0 HA GLU A 93 4.054 -2.086 6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.715 -4.780 6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.157 -4.254 7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.939 -2.356 8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.503 -2.779 7.795 1.00 0.00 H new ATOM 1504 N VAL A 94 5.841 -3.113 5.085 1.00 0.00 N ATOM 1505 CA VAL A 94 6.923 -3.683 4.291 1.00 0.00 C ATOM 1506 C VAL A 94 8.207 -3.787 5.107 1.00 0.00 C ATOM 1507 O VAL A 94 8.830 -2.777 5.437 1.00 0.00 O ATOM 1508 CB VAL A 94 7.197 -2.843 3.029 1.00 0.00 C ATOM 1509 CG1 VAL A 94 8.422 -3.366 2.295 1.00 0.00 C ATOM 1510 CG2 VAL A 94 5.979 -2.842 2.117 1.00 0.00 C ATOM 0 H VAL A 94 6.067 -2.223 5.529 1.00 0.00 H new ATOM 0 HA VAL A 94 6.604 -4.681 3.991 1.00 0.00 H new ATOM 0 HB VAL A 94 7.397 -1.815 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.600 -2.760 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.290 -3.311 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.255 -4.402 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.189 -2.244 1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.747 -3.864 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.127 -2.417 2.648 1.00 0.00 H new ATOM 1520 N THR A 95 8.599 -5.015 5.430 1.00 0.00 N ATOM 1521 CA THR A 95 9.809 -5.252 6.208 1.00 0.00 C ATOM 1522 C THR A 95 10.953 -5.721 5.316 1.00 0.00 C ATOM 1523 O THR A 95 10.806 -6.676 4.553 1.00 0.00 O ATOM 1524 CB THR A 95 9.571 -6.299 7.312 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.320 -6.050 7.962 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.695 -6.271 8.336 1.00 0.00 C ATOM 0 H THR A 95 8.096 -5.862 5.165 1.00 0.00 H new ATOM 0 HA THR A 95 10.078 -4.302 6.671 1.00 0.00 H new ATOM 0 HB THR A 95 9.549 -7.285 6.848 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.374 -5.211 8.465 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.505 -7.019 9.106 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.642 -6.490 7.843 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.745 -5.283 8.794 1.00 0.00 H new ATOM 1534 N TYR A 96 12.092 -5.045 5.418 1.00 0.00 N ATOM 1535 CA TYR A 96 13.261 -5.393 4.619 1.00 0.00 C ATOM 1536 C TYR A 96 14.410 -5.856 5.509 1.00 0.00 C ATOM 1537 O TYR A 96 14.420 -5.604 6.714 1.00 0.00 O ATOM 1538 CB TYR A 96 13.704 -4.194 3.778 1.00 0.00 C ATOM 1539 CG TYR A 96 14.764 -4.532 2.755 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.681 -5.692 1.995 1.00 0.00 C ATOM 1541 CD2 TYR A 96 15.850 -3.690 2.547 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.648 -6.005 1.060 1.00 0.00 C ATOM 1543 CE2 TYR A 96 16.821 -3.994 1.613 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.716 -5.153 0.872 1.00 0.00 C ATOM 1545 OH TYR A 96 17.681 -5.460 -0.060 1.00 0.00 O ATOM 0 H TYR A 96 12.231 -4.253 6.046 1.00 0.00 H new ATOM 0 HA TYR A 96 12.986 -6.213 3.955 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.836 -3.779 3.266 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.085 -3.417 4.441 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.845 -6.361 2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 96 15.936 -2.782 3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.568 -6.912 0.479 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.658 -3.328 1.464 1.00 0.00 H new ATOM 0 HH TYR A 96 17.279 -5.978 -0.789 1.00 0.00 H new ATOM 1611 N PHE A 100 12.660 -1.716 8.379 1.00 0.00 N ATOM 1612 CA PHE A 100 11.248 -1.928 8.081 1.00 0.00 C ATOM 1613 C PHE A 100 10.508 -0.598 7.979 1.00 0.00 C ATOM 1614 O PHE A 100 10.672 0.283 8.823 1.00 0.00 O ATOM 1615 CB PHE A 100 10.604 -2.801 9.161 1.00 0.00 C ATOM 1616 CG PHE A 100 9.142 -2.522 9.364 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.189 -3.131 8.564 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.722 -1.649 10.355 1.00 0.00 C ATOM 1619 CE1 PHE A 100 6.843 -2.876 8.749 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.377 -1.391 10.545 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.437 -2.005 9.740 1.00 0.00 C ATOM 0 HA PHE A 100 11.177 -2.438 7.120 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.732 -3.850 8.893 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.130 -2.646 10.103 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.501 -3.813 7.787 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.453 -1.165 10.986 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.110 -3.358 8.119 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.062 -0.710 11.322 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.386 -1.804 9.886 1.00 0.00 H new ATOM 1631 N ASP A 101 9.693 -0.460 6.938 1.00 0.00 N ATOM 1632 CA ASP A 101 8.927 0.762 6.724 1.00 0.00 C ATOM 1633 C ASP A 101 7.429 0.485 6.808 1.00 0.00 C ATOM 1634 O ASP A 101 6.977 -0.629 6.543 1.00 0.00 O ATOM 1635 CB ASP A 101 9.269 1.372 5.364 1.00 0.00 C ATOM 1636 CG ASP A 101 9.057 0.398 4.222 1.00 0.00 C ATOM 1637 OD1 ASP A 101 7.904 0.268 3.759 1.00 0.00 O ATOM 1638 OD2 ASP A 101 10.044 -0.233 3.790 1.00 0.00 O ATOM 0 H ASP A 101 9.546 -1.179 6.230 1.00 0.00 H new ATOM 0 HA ASP A 101 9.193 1.470 7.509 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.654 2.257 5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.308 1.702 5.368 1.00 0.00 H new ATOM 1643 N SER A 102 6.663 1.506 7.179 1.00 0.00 N ATOM 1644 CA SER A 102 5.217 1.372 7.304 1.00 0.00 C ATOM 1645 C SER A 102 4.519 2.688 6.975 1.00 0.00 C ATOM 1646 O SER A 102 4.931 3.754 7.434 1.00 0.00 O ATOM 1647 CB SER A 102 4.844 0.924 8.718 1.00 0.00 C ATOM 1648 OG SER A 102 5.292 1.859 9.684 1.00 0.00 O ATOM 0 H SER A 102 7.020 2.436 7.398 1.00 0.00 H new ATOM 0 HA SER A 102 4.885 0.616 6.592 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.763 0.809 8.793 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.284 -0.053 8.921 1.00 0.00 H new ATOM 0 HG SER A 102 5.040 1.551 10.579 1.00 0.00 H new ATOM 1654 N CYS A 103 3.460 2.606 6.177 1.00 0.00 N ATOM 1655 CA CYS A 103 2.704 3.790 5.785 1.00 0.00 C ATOM 1656 C CYS A 103 1.253 3.432 5.479 1.00 0.00 C ATOM 1657 O CYS A 103 0.977 2.442 4.802 1.00 0.00 O ATOM 1658 CB CYS A 103 3.347 4.451 4.565 1.00 0.00 C ATOM 1659 SG CYS A 103 4.725 5.553 4.962 1.00 0.00 S ATOM 0 H CYS A 103 3.106 1.732 5.789 1.00 0.00 H new ATOM 0 HA CYS A 103 2.718 4.492 6.619 1.00 0.00 H new ATOM 0 HB2 CYS A 103 3.701 3.673 3.888 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.586 5.018 4.029 1.00 0.00 H new ATOM 0 HG CYS A 103 5.259 5.191 6.090 1.00 0.00 H new ATOM 1665 N SER A 104 0.330 4.244 5.984 1.00 0.00 N ATOM 1666 CA SER A 104 -1.093 4.010 5.769 1.00 0.00 C ATOM 1667 C SER A 104 -1.712 5.140 4.952 1.00 0.00 C ATOM 1668 O SER A 104 -1.237 6.276 4.982 1.00 0.00 O ATOM 1669 CB SER A 104 -1.818 3.879 7.111 1.00 0.00 C ATOM 1670 OG SER A 104 -1.757 5.090 7.843 1.00 0.00 O ATOM 0 H SER A 104 0.542 5.069 6.545 1.00 0.00 H new ATOM 0 HA SER A 104 -1.203 3.080 5.212 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.859 3.606 6.940 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.369 3.075 7.694 1.00 0.00 H new ATOM 0 HG SER A 104 -2.229 4.981 8.695 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.776 4.820 4.223 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.461 5.807 3.396 1.00 0.00 C ATOM 1678 C PHE A 105 -4.975 5.671 3.529 1.00 0.00 C ATOM 1679 O PHE A 105 -5.470 4.874 4.326 1.00 0.00 O ATOM 1680 CB PHE A 105 -3.050 5.649 1.931 1.00 0.00 C ATOM 1681 CG PHE A 105 -3.074 4.226 1.451 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -2.134 3.313 1.903 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -4.035 3.800 0.549 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -2.153 2.002 1.465 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -4.059 2.491 0.107 1.00 0.00 C ATOM 1686 CZ PHE A 105 -3.116 1.591 0.565 1.00 0.00 C ATOM 0 H PHE A 105 -3.183 3.885 4.188 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.171 6.799 3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.717 6.245 1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.046 6.052 1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.378 3.630 2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.774 4.499 0.187 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.416 1.300 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.814 2.172 -0.596 1.00 0.00 H new ATOM 0 HZ PHE A 105 -3.132 0.568 0.220 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.705 6.456 2.743 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.162 6.424 2.772 1.00 0.00 C ATOM 1698 C ASP A 106 -7.729 6.247 1.367 1.00 0.00 C ATOM 1699 O ASP A 106 -7.232 6.836 0.406 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.710 7.707 3.399 1.00 0.00 C ATOM 1701 CG ASP A 106 -7.914 8.809 2.377 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -6.907 9.386 1.919 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -9.082 9.094 2.037 1.00 0.00 O ATOM 0 H ASP A 106 -5.311 7.122 2.078 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.470 5.573 3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.659 7.491 3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.022 8.054 4.171 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.773 5.432 1.254 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.408 5.177 -0.035 1.00 0.00 C ATOM 1710 C LEU A 107 -10.903 5.471 0.027 1.00 0.00 C ATOM 1711 O LEU A 107 -11.608 4.971 0.903 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.179 3.725 -0.459 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.703 3.340 -1.843 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -11.221 3.257 -1.835 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.227 4.337 -2.890 1.00 0.00 C ATOM 0 H LEU A 107 -9.197 4.937 2.039 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.957 5.840 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.108 3.523 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.647 3.074 0.279 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.307 2.357 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.576 2.982 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.540 2.504 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.637 4.225 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.609 4.047 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.593 5.332 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.137 4.346 -2.915 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.380 6.286 -0.909 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.792 6.645 -0.961 1.00 0.00 C ATOM 1729 C GLU A 108 -13.484 5.965 -2.138 1.00 0.00 C ATOM 1730 O GLU A 108 -12.856 5.668 -3.155 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.951 8.163 -1.069 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.944 8.874 0.274 1.00 0.00 C ATOM 1733 CD GLU A 108 -13.330 10.336 0.162 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -14.529 10.619 -0.039 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -12.433 11.197 0.276 1.00 0.00 O ATOM 0 H GLU A 108 -10.810 6.710 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.262 6.302 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.145 8.561 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.886 8.386 -1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.634 8.371 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.951 8.797 0.716 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.782 5.719 -1.993 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.561 5.074 -3.043 1.00 0.00 C ATOM 1744 C VAL A 109 -16.860 5.828 -3.307 1.00 0.00 C ATOM 1745 O VAL A 109 -17.696 5.976 -2.415 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.892 3.615 -2.681 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.549 2.908 -3.857 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.637 2.878 -2.238 1.00 0.00 C ATOM 0 H VAL A 109 -15.317 5.957 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.948 5.087 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.597 3.617 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.775 1.878 -3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.472 3.424 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.871 2.915 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.890 1.848 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.906 2.885 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.214 3.372 -1.363 1.00 0.00 H new ATOM 1758 N HIS A 110 -17.022 6.304 -4.537 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.221 7.043 -4.919 1.00 0.00 C ATOM 1760 C HIS A 110 -19.161 6.166 -5.741 1.00 0.00 C ATOM 1761 O HIS A 110 -18.716 5.347 -6.544 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.843 8.292 -5.716 1.00 0.00 C ATOM 1763 CG HIS A 110 -17.117 9.322 -4.906 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -16.974 10.632 -5.310 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.492 9.228 -3.709 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.291 11.300 -4.397 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.987 10.470 -3.415 1.00 0.00 N ATOM 0 H HIS A 110 -16.339 6.192 -5.286 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.738 7.345 -4.008 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.219 7.999 -6.560 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.748 8.738 -6.128 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.407 8.341 -3.099 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.026 12.346 -4.445 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.462 10.713 -2.575 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.461 6.343 -5.532 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.463 5.567 -6.253 1.00 0.00 C ATOM 1778 C GLU A 111 -21.375 5.825 -7.755 1.00 0.00 C ATOM 1779 O GLU A 111 -21.390 6.972 -8.200 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.866 5.908 -5.748 1.00 0.00 C ATOM 1781 CG GLU A 111 -23.114 5.488 -4.309 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.580 5.231 -4.019 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.215 4.483 -4.791 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -25.092 5.779 -3.021 1.00 0.00 O ATOM 0 H GLU A 111 -20.845 7.017 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.266 4.511 -6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -23.023 6.983 -5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.602 5.424 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.542 4.585 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.746 6.265 -3.639 1.00 0.00 H new ATOM 1791 N SER A 112 -21.282 4.749 -8.530 1.00 0.00 N ATOM 1792 CA SER A 112 -21.187 4.858 -9.981 1.00 0.00 C ATOM 1793 C SER A 112 -22.552 5.152 -10.594 1.00 0.00 C ATOM 1794 O SER A 112 -22.652 5.807 -11.632 1.00 0.00 O ATOM 1795 CB SER A 112 -20.615 3.568 -10.574 1.00 0.00 C ATOM 1796 OG SER A 112 -20.462 3.677 -11.978 1.00 0.00 O ATOM 0 H SER A 112 -21.270 3.792 -8.177 1.00 0.00 H new ATOM 0 HA SER A 112 -20.517 5.685 -10.216 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.650 3.350 -10.116 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.275 2.733 -10.341 1.00 0.00 H new ATOM 0 HG SER A 112 -20.094 2.841 -12.333 1.00 0.00 H new