USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=22 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= -0.0315 K(o=0.86,f=0.31) USER MOD Set 1.2: A 83 LYS NZ :NH3+ 147:sc= 0.891 (180deg=-0.873!) USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= -0.134 (180deg=-0.568) USER MOD Single : A 15 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.3) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.561 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+ 168:sc= 0.487! (180deg=0.313!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 173:sc= -8.87! (180deg=-9.29!) 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= -0.86 X(o=-0.86,f=-0.43) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0.126 K(o=0.13,f=-1.4!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 56:sc= 0.175 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 178:sc= -1.1 (180deg=-1.14) USER MOD Single : A 78 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.00018) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= 0.635 F(o=-0.0019,f=0.64) USER MOD Single : A 89 ASN : amide:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 90 TYR OH : rot -14:sc= 1.24 USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -58:sc= 0.15 USER MOD Single : A 96 TYR OH : rot 30:sc= 0.0578 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot -150:sc= -0.616 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -2.18 X(o=-2.2,f=-2.7!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ILE A 11 10.870 4.174 -0.481 1.00 0.00 N ATOM 125 CA ILE A 11 11.077 5.224 -1.471 1.00 0.00 C ATOM 126 C ILE A 11 9.796 6.018 -1.706 1.00 0.00 C ATOM 127 O ILE A 11 9.662 7.149 -1.241 1.00 0.00 O ATOM 128 CB ILE A 11 11.562 4.645 -2.813 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.939 3.998 -2.646 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.607 5.734 -3.874 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.465 3.361 -3.913 1.00 0.00 C ATOM 0 HA ILE A 11 11.845 5.887 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 11 10.858 3.878 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.648 4.754 -2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 11 12.883 3.240 -1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.952 5.309 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.610 6.153 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.292 6.521 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.444 2.923 -3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 11 12.777 2.582 -4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.554 4.119 -4.692 1.00 0.00 H new ATOM 143 N GLU A 12 8.857 5.415 -2.430 1.00 0.00 N ATOM 144 CA GLU A 12 7.587 6.067 -2.725 1.00 0.00 C ATOM 145 C GLU A 12 6.497 5.593 -1.768 1.00 0.00 C ATOM 146 O GLU A 12 6.590 4.511 -1.188 1.00 0.00 O ATOM 147 CB GLU A 12 7.168 5.786 -4.170 1.00 0.00 C ATOM 148 CG GLU A 12 6.346 6.902 -4.793 1.00 0.00 C ATOM 149 CD GLU A 12 7.204 8.045 -5.300 1.00 0.00 C ATOM 150 OE1 GLU A 12 7.948 7.839 -6.281 1.00 0.00 O ATOM 151 OE2 GLU A 12 7.131 9.146 -4.715 1.00 0.00 O ATOM 0 H GLU A 12 8.952 4.478 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 12 7.720 7.141 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.061 5.624 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.591 4.862 -4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.760 6.499 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.639 7.283 -4.056 1.00 0.00 H new ATOM 158 N LYS A 13 5.463 6.412 -1.606 1.00 0.00 N ATOM 159 CA LYS A 13 4.354 6.079 -0.720 1.00 0.00 C ATOM 160 C LYS A 13 3.015 6.314 -1.412 1.00 0.00 C ATOM 161 O LYS A 13 2.750 7.387 -1.955 1.00 0.00 O ATOM 162 CB LYS A 13 4.431 6.912 0.562 1.00 0.00 C ATOM 163 CG LYS A 13 5.828 6.994 1.151 1.00 0.00 C ATOM 164 CD LYS A 13 5.995 8.229 2.021 1.00 0.00 C ATOM 165 CE LYS A 13 7.084 8.032 3.065 1.00 0.00 C ATOM 166 NZ LYS A 13 6.722 6.978 4.052 1.00 0.00 N ATOM 0 H LYS A 13 5.370 7.312 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 13 4.430 5.022 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.075 7.920 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.757 6.484 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.027 6.101 1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.563 7.013 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.241 9.086 1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.051 8.457 2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.017 7.761 2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.261 8.972 3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.218 7.157 4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.695 6.993 4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.000 6.046 3.683 1.00 0.00 H new ATOM 180 N PRO A 14 2.150 5.290 -1.392 1.00 0.00 N ATOM 181 CA PRO A 14 0.823 5.362 -2.012 1.00 0.00 C ATOM 182 C PRO A 14 -0.117 6.298 -1.261 1.00 0.00 C ATOM 183 O PRO A 14 -0.585 5.977 -0.169 1.00 0.00 O ATOM 184 CB PRO A 14 0.317 3.920 -1.934 1.00 0.00 C ATOM 185 CG PRO A 14 1.048 3.323 -0.782 1.00 0.00 C ATOM 186 CD PRO A 14 2.400 3.982 -0.763 1.00 0.00 C ATOM 0 HA PRO A 14 0.868 5.758 -3.026 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.761 3.887 -1.778 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.523 3.378 -2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.515 3.499 0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.142 2.243 -0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.780 4.091 0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.137 3.403 -1.319 1.00 0.00 H new ATOM 194 N GLN A 15 -0.390 7.456 -1.854 1.00 0.00 N ATOM 195 CA GLN A 15 -1.275 8.439 -1.239 1.00 0.00 C ATOM 196 C GLN A 15 -2.737 8.095 -1.503 1.00 0.00 C ATOM 197 O GLN A 15 -3.558 8.978 -1.750 1.00 0.00 O ATOM 198 CB GLN A 15 -0.964 9.839 -1.770 1.00 0.00 C ATOM 199 CG GLN A 15 0.401 10.360 -1.349 1.00 0.00 C ATOM 200 CD GLN A 15 0.615 10.290 0.150 1.00 0.00 C ATOM 201 OE1 GLN A 15 -0.023 11.014 0.915 1.00 0.00 O ATOM 202 NE2 GLN A 15 1.517 9.415 0.579 1.00 0.00 N ATOM 0 H GLN A 15 -0.012 7.736 -2.759 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.105 8.421 -0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.019 9.826 -2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.731 10.530 -1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.177 9.782 -1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.509 11.393 -1.680 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.023 8.835 -0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.704 9.323 1.578 1.00 0.00 H new ATOM 211 N GLY A 16 -3.055 6.805 -1.450 1.00 0.00 N ATOM 212 CA GLY A 16 -4.419 6.368 -1.687 1.00 0.00 C ATOM 213 C GLY A 16 -5.102 7.165 -2.780 1.00 0.00 C ATOM 214 O GLY A 16 -4.441 7.773 -3.620 1.00 0.00 O ATOM 0 H GLY A 16 -2.393 6.056 -1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.417 5.312 -1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.992 6.458 -0.764 1.00 0.00 H new ATOM 218 N GLY A 17 -6.432 7.160 -2.771 1.00 0.00 N ATOM 219 CA GLY A 17 -7.183 7.890 -3.776 1.00 0.00 C ATOM 220 C GLY A 17 -8.676 7.644 -3.675 1.00 0.00 C ATOM 221 O GLY A 17 -9.183 7.279 -2.614 1.00 0.00 O ATOM 0 H GLY A 17 -7.002 6.664 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.985 8.957 -3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.836 7.599 -4.767 1.00 0.00 H new ATOM 225 N THR A 18 -9.383 7.847 -4.783 1.00 0.00 N ATOM 226 CA THR A 18 -10.826 7.648 -4.815 1.00 0.00 C ATOM 227 C THR A 18 -11.256 6.942 -6.095 1.00 0.00 C ATOM 228 O THR A 18 -11.050 7.452 -7.197 1.00 0.00 O ATOM 229 CB THR A 18 -11.580 8.987 -4.703 1.00 0.00 C ATOM 230 OG1 THR A 18 -10.945 9.827 -3.733 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.032 8.759 -4.311 1.00 0.00 C ATOM 0 H THR A 18 -8.979 8.149 -5.670 1.00 0.00 H new ATOM 0 HA THR A 18 -11.078 7.024 -3.957 1.00 0.00 H new ATOM 0 HB THR A 18 -11.556 9.475 -5.677 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.429 10.677 -3.669 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.544 9.718 -4.238 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.520 8.143 -5.066 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.073 8.251 -3.347 1.00 0.00 H new ATOM 239 N VAL A 19 -11.855 5.765 -5.944 1.00 0.00 N ATOM 240 CA VAL A 19 -12.316 4.989 -7.089 1.00 0.00 C ATOM 241 C VAL A 19 -13.834 4.847 -7.082 1.00 0.00 C ATOM 242 O VAL A 19 -14.448 4.684 -6.027 1.00 0.00 O ATOM 243 CB VAL A 19 -11.680 3.586 -7.109 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.149 2.770 -5.914 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.005 2.873 -8.412 1.00 0.00 C ATOM 0 H VAL A 19 -12.032 5.328 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.009 5.532 -7.983 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.598 3.696 -7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.689 1.782 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.861 3.276 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.234 2.667 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.548 1.883 -8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.086 2.773 -8.512 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.615 3.451 -9.250 1.00 0.00 H new ATOM 255 N LYS A 20 -14.434 4.909 -8.265 1.00 0.00 N ATOM 256 CA LYS A 20 -15.881 4.786 -8.397 1.00 0.00 C ATOM 257 C LYS A 20 -16.324 3.340 -8.195 1.00 0.00 C ATOM 258 O LYS A 20 -15.545 2.408 -8.392 1.00 0.00 O ATOM 259 CB LYS A 20 -16.332 5.281 -9.773 1.00 0.00 C ATOM 260 CG LYS A 20 -17.821 5.571 -9.857 1.00 0.00 C ATOM 261 CD LYS A 20 -18.198 6.794 -9.039 1.00 0.00 C ATOM 262 CE LYS A 20 -17.735 8.078 -9.710 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.719 8.564 -10.716 1.00 0.00 N ATOM 0 H LYS A 20 -13.940 5.044 -9.147 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.345 5.401 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.779 6.187 -10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.073 4.532 -10.522 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.104 5.727 -10.898 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.382 4.707 -9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.279 6.823 -8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.754 6.720 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.579 8.847 -8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.774 7.908 -10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.367 9.441 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.849 7.841 -11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.629 8.751 -10.249 1.00 0.00 H new ATOM 277 N VAL A 21 -17.582 3.161 -7.803 1.00 0.00 N ATOM 278 CA VAL A 21 -18.130 1.829 -7.577 1.00 0.00 C ATOM 279 C VAL A 21 -18.129 1.009 -8.863 1.00 0.00 C ATOM 280 O VAL A 21 -18.693 1.422 -9.875 1.00 0.00 O ATOM 281 CB VAL A 21 -19.567 1.899 -7.027 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.197 0.515 -7.002 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.576 2.524 -5.640 1.00 0.00 C ATOM 0 H VAL A 21 -18.240 3.922 -7.635 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.490 1.344 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.161 2.530 -7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.212 0.584 -6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.225 0.110 -8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.606 -0.142 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.599 2.566 -5.266 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.968 1.921 -4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.168 3.533 -5.693 1.00 0.00 H new ATOM 293 N GLY A 22 -17.491 -0.157 -8.814 1.00 0.00 N ATOM 294 CA GLY A 22 -17.429 -1.017 -9.981 1.00 0.00 C ATOM 295 C GLY A 22 -16.200 -0.755 -10.830 1.00 0.00 C ATOM 296 O GLY A 22 -15.827 -1.580 -11.663 1.00 0.00 O ATOM 0 H GLY A 22 -17.017 -0.521 -7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.430 -2.059 -9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.323 -0.868 -10.586 1.00 0.00 H new ATOM 300 N GLU A 23 -15.572 0.397 -10.619 1.00 0.00 N ATOM 301 CA GLU A 23 -14.380 0.766 -11.374 1.00 0.00 C ATOM 302 C GLU A 23 -13.160 0.000 -10.872 1.00 0.00 C ATOM 303 O GLU A 23 -13.267 -0.851 -9.988 1.00 0.00 O ATOM 304 CB GLU A 23 -14.129 2.272 -11.269 1.00 0.00 C ATOM 305 CG GLU A 23 -14.769 3.075 -12.390 1.00 0.00 C ATOM 306 CD GLU A 23 -16.260 2.827 -12.506 1.00 0.00 C ATOM 307 OE1 GLU A 23 -16.673 1.649 -12.453 1.00 0.00 O ATOM 308 OE2 GLU A 23 -17.015 3.811 -12.651 1.00 0.00 O ATOM 0 H GLU A 23 -15.868 1.091 -9.932 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.547 0.505 -12.419 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.511 2.630 -10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.054 2.454 -11.271 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.593 4.137 -12.218 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.288 2.821 -13.334 1.00 0.00 H new ATOM 315 N ASP A 24 -12.000 0.308 -11.442 1.00 0.00 N ATOM 316 CA ASP A 24 -10.758 -0.351 -11.053 1.00 0.00 C ATOM 317 C ASP A 24 -9.659 0.674 -10.789 1.00 0.00 C ATOM 318 O ASP A 24 -9.445 1.588 -11.585 1.00 0.00 O ATOM 319 CB ASP A 24 -10.311 -1.327 -12.142 1.00 0.00 C ATOM 320 CG ASP A 24 -11.104 -2.619 -12.123 1.00 0.00 C ATOM 321 OD1 ASP A 24 -12.311 -2.570 -11.808 1.00 0.00 O ATOM 322 OD2 ASP A 24 -10.517 -3.679 -12.425 1.00 0.00 O ATOM 0 H ASP A 24 -11.894 1.010 -12.175 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.942 -0.905 -10.133 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.419 -0.853 -13.117 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.252 -1.552 -12.012 1.00 0.00 H new ATOM 327 N ILE A 25 -8.968 0.515 -9.665 1.00 0.00 N ATOM 328 CA ILE A 25 -7.892 1.427 -9.296 1.00 0.00 C ATOM 329 C ILE A 25 -6.621 0.662 -8.940 1.00 0.00 C ATOM 330 O ILE A 25 -6.671 -0.516 -8.583 1.00 0.00 O ATOM 331 CB ILE A 25 -8.292 2.318 -8.106 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.102 3.167 -7.653 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.809 1.466 -6.957 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.486 4.299 -6.726 1.00 0.00 C ATOM 0 H ILE A 25 -9.134 -0.236 -8.995 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.702 2.059 -10.164 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.091 2.987 -8.425 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.379 2.525 -7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.605 3.580 -8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.088 2.110 -6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.681 0.901 -7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.029 0.775 -6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.593 4.858 -6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.186 4.963 -7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.956 3.892 -5.830 1.00 0.00 H new ATOM 346 N THR A 26 -5.482 1.340 -9.037 1.00 0.00 N ATOM 347 CA THR A 26 -4.198 0.726 -8.724 1.00 0.00 C ATOM 348 C THR A 26 -3.311 1.679 -7.932 1.00 0.00 C ATOM 349 O THR A 26 -3.241 2.871 -8.231 1.00 0.00 O ATOM 350 CB THR A 26 -3.456 0.294 -10.003 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.368 -0.335 -10.910 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.320 -0.663 -9.672 1.00 0.00 C ATOM 0 H THR A 26 -5.423 2.315 -9.330 1.00 0.00 H new ATOM 0 HA THR A 26 -4.408 -0.156 -8.119 1.00 0.00 H new ATOM 0 HB THR A 26 -3.036 1.184 -10.471 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.889 -0.605 -11.721 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.811 -0.954 -10.590 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.612 -0.171 -9.005 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.722 -1.550 -9.183 1.00 0.00 H new ATOM 360 N PHE A 27 -2.633 1.146 -6.921 1.00 0.00 N ATOM 361 CA PHE A 27 -1.749 1.951 -6.085 1.00 0.00 C ATOM 362 C PHE A 27 -0.286 1.622 -6.368 1.00 0.00 C ATOM 363 O PHE A 27 0.060 0.475 -6.652 1.00 0.00 O ATOM 364 CB PHE A 27 -2.059 1.717 -4.605 1.00 0.00 C ATOM 365 CG PHE A 27 -3.507 1.918 -4.258 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.410 0.873 -4.365 1.00 0.00 C ATOM 367 CD2 PHE A 27 -3.964 3.151 -3.823 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.743 1.054 -4.046 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.295 3.338 -3.502 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.186 2.288 -3.615 1.00 0.00 C ATOM 0 H PHE A 27 -2.678 0.161 -6.661 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.920 3.001 -6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.767 0.702 -4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.452 2.393 -4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.069 -0.095 -4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.272 3.976 -3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.437 0.231 -4.134 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.639 4.304 -3.163 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.227 2.433 -3.367 1.00 0.00 H new ATOM 380 N ILE A 28 0.568 2.637 -6.287 1.00 0.00 N ATOM 381 CA ILE A 28 1.994 2.457 -6.533 1.00 0.00 C ATOM 382 C ILE A 28 2.779 2.437 -5.226 1.00 0.00 C ATOM 383 O ILE A 28 2.415 3.109 -4.262 1.00 0.00 O ATOM 384 CB ILE A 28 2.554 3.570 -7.439 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.928 3.486 -8.832 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.069 3.469 -7.526 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.266 2.211 -9.572 1.00 0.00 C ATOM 0 H ILE A 28 0.297 3.592 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 28 2.109 1.498 -7.037 1.00 0.00 H new ATOM 0 HB ILE A 28 2.298 4.536 -7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.845 3.566 -8.740 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.262 4.339 -9.423 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.450 4.262 -8.170 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.498 3.573 -6.529 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.346 2.500 -7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.788 2.221 -10.552 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.346 2.138 -9.696 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.907 1.354 -9.002 1.00 0.00 H new ATOM 399 N ALA A 29 3.859 1.663 -5.203 1.00 0.00 N ATOM 400 CA ALA A 29 4.698 1.558 -4.016 1.00 0.00 C ATOM 401 C ALA A 29 6.090 1.045 -4.371 1.00 0.00 C ATOM 402 O ALA A 29 6.249 -0.090 -4.821 1.00 0.00 O ATOM 403 CB ALA A 29 4.045 0.648 -2.986 1.00 0.00 C ATOM 0 H ALA A 29 4.173 1.100 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 29 4.805 2.555 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.683 0.579 -2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.076 1.057 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.908 -0.345 -3.413 1.00 0.00 H new ATOM 409 N LYS A 30 7.096 1.889 -4.167 1.00 0.00 N ATOM 410 CA LYS A 30 8.475 1.522 -4.465 1.00 0.00 C ATOM 411 C LYS A 30 9.280 1.343 -3.181 1.00 0.00 C ATOM 412 O LYS A 30 9.024 2.010 -2.178 1.00 0.00 O ATOM 413 CB LYS A 30 9.130 2.588 -5.346 1.00 0.00 C ATOM 414 CG LYS A 30 8.940 2.349 -6.833 1.00 0.00 C ATOM 415 CD LYS A 30 8.898 3.655 -7.608 1.00 0.00 C ATOM 416 CE LYS A 30 7.480 4.197 -7.711 1.00 0.00 C ATOM 417 NZ LYS A 30 7.306 5.071 -8.904 1.00 0.00 N ATOM 0 H LYS A 30 6.982 2.832 -3.796 1.00 0.00 H new ATOM 0 HA LYS A 30 8.464 0.573 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.718 3.564 -5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.197 2.624 -5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.753 1.728 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.015 1.797 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.535 4.391 -7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.303 3.499 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.776 3.366 -7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.240 4.761 -6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.327 5.420 -8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.959 5.878 -8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.510 4.526 -9.766 1.00 0.00 H new ATOM 431 N VAL A 31 10.255 0.441 -3.220 1.00 0.00 N ATOM 432 CA VAL A 31 11.099 0.177 -2.061 1.00 0.00 C ATOM 433 C VAL A 31 12.570 0.108 -2.457 1.00 0.00 C ATOM 434 O VAL A 31 12.921 -0.468 -3.487 1.00 0.00 O ATOM 435 CB VAL A 31 10.703 -1.139 -1.366 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.647 -1.439 -0.212 1.00 0.00 C ATOM 437 CG2 VAL A 31 9.262 -1.074 -0.885 1.00 0.00 C ATOM 0 H VAL A 31 10.480 -0.119 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 31 10.951 1.004 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 31 10.784 -1.950 -2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.351 -2.373 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.665 -1.532 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.602 -0.628 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.999 -2.012 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.151 -0.253 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.601 -0.911 -1.736 1.00 0.00 H new ATOM 447 N LYS A 32 13.428 0.698 -1.631 1.00 0.00 N ATOM 448 CA LYS A 32 14.862 0.702 -1.892 1.00 0.00 C ATOM 449 C LYS A 32 15.480 -0.652 -1.558 1.00 0.00 C ATOM 450 O LYS A 32 15.222 -1.218 -0.496 1.00 0.00 O ATOM 451 CB LYS A 32 15.546 1.802 -1.077 1.00 0.00 C ATOM 452 CG LYS A 32 16.896 2.221 -1.633 1.00 0.00 C ATOM 453 CD LYS A 32 16.743 3.125 -2.845 1.00 0.00 C ATOM 454 CE LYS A 32 17.912 2.972 -3.806 1.00 0.00 C ATOM 455 NZ LYS A 32 18.156 4.217 -4.585 1.00 0.00 N ATOM 0 H LYS A 32 13.154 1.180 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 32 15.012 0.898 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.892 2.673 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.676 1.455 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.464 2.740 -0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.468 1.335 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.813 2.888 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.672 4.163 -2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.810 2.712 -3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.713 2.148 -4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.960 4.072 -5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 17.308 4.452 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.371 4.998 -3.933 1.00 0.00 H new ATOM 469 N ALA A 33 16.299 -1.165 -2.470 1.00 0.00 N ATOM 470 CA ALA A 33 16.957 -2.450 -2.270 1.00 0.00 C ATOM 471 C ALA A 33 18.443 -2.363 -2.598 1.00 0.00 C ATOM 472 O ALA A 33 18.868 -1.503 -3.369 1.00 0.00 O ATOM 473 CB ALA A 33 16.289 -3.522 -3.119 1.00 0.00 C ATOM 0 H ALA A 33 16.523 -0.710 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 33 16.859 -2.721 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.790 -4.477 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.241 -3.611 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.357 -3.247 -4.172 1.00 0.00 H new ATOM 479 N GLU A 34 19.229 -3.258 -2.006 1.00 0.00 N ATOM 480 CA GLU A 34 20.668 -3.279 -2.235 1.00 0.00 C ATOM 481 C GLU A 34 21.133 -4.674 -2.645 1.00 0.00 C ATOM 482 O GLU A 34 21.915 -4.828 -3.584 1.00 0.00 O ATOM 483 CB GLU A 34 21.414 -2.831 -0.976 1.00 0.00 C ATOM 484 CG GLU A 34 20.958 -1.482 -0.446 1.00 0.00 C ATOM 485 CD GLU A 34 21.708 -1.063 0.804 1.00 0.00 C ATOM 486 OE1 GLU A 34 22.869 -0.620 0.678 1.00 0.00 O ATOM 487 OE2 GLU A 34 21.134 -1.176 1.907 1.00 0.00 O ATOM 0 H GLU A 34 18.893 -3.977 -1.365 1.00 0.00 H new ATOM 0 HA GLU A 34 20.891 -2.587 -3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.279 -3.582 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.481 -2.785 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.097 -0.726 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.891 -1.523 -0.228 1.00 0.00 H new ATOM 494 N ASP A 35 20.647 -5.685 -1.935 1.00 0.00 N ATOM 495 CA ASP A 35 21.012 -7.067 -2.225 1.00 0.00 C ATOM 496 C ASP A 35 19.942 -7.744 -3.076 1.00 0.00 C ATOM 497 O ASP A 35 18.796 -7.893 -2.650 1.00 0.00 O ATOM 498 CB ASP A 35 21.215 -7.847 -0.925 1.00 0.00 C ATOM 499 CG ASP A 35 22.229 -8.964 -1.072 1.00 0.00 C ATOM 500 OD1 ASP A 35 23.439 -8.662 -1.139 1.00 0.00 O ATOM 501 OD2 ASP A 35 21.813 -10.141 -1.122 1.00 0.00 O ATOM 0 H ASP A 35 20.000 -5.574 -1.155 1.00 0.00 H new ATOM 0 HA ASP A 35 21.947 -7.060 -2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 35 21.543 -7.163 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.261 -8.266 -0.603 1.00 0.00 H new ATOM 506 N LEU A 36 20.323 -8.152 -4.281 1.00 0.00 N ATOM 507 CA LEU A 36 19.397 -8.813 -5.194 1.00 0.00 C ATOM 508 C LEU A 36 18.791 -10.056 -4.550 1.00 0.00 C ATOM 509 O LEU A 36 17.581 -10.276 -4.616 1.00 0.00 O ATOM 510 CB LEU A 36 20.112 -9.193 -6.492 1.00 0.00 C ATOM 511 CG LEU A 36 20.794 -8.049 -7.242 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.353 -8.539 -8.569 1.00 0.00 C ATOM 513 CD2 LEU A 36 19.821 -6.900 -7.462 1.00 0.00 C ATOM 0 H LEU A 36 21.267 -8.037 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 36 18.591 -8.115 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.863 -9.949 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.387 -9.658 -7.160 1.00 0.00 H new ATOM 0 HG LEU A 36 21.623 -7.685 -6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 36 21.835 -7.711 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.083 -9.327 -8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.542 -8.930 -9.183 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.324 -6.095 -7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 36 18.971 -7.250 -8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.470 -6.531 -6.498 1.00 0.00 H new ATOM 525 N LEU A 37 19.640 -10.866 -3.927 1.00 0.00 N ATOM 526 CA LEU A 37 19.189 -12.087 -3.268 1.00 0.00 C ATOM 527 C LEU A 37 18.084 -11.786 -2.260 1.00 0.00 C ATOM 528 O LEU A 37 17.093 -12.511 -2.176 1.00 0.00 O ATOM 529 CB LEU A 37 20.362 -12.774 -2.566 1.00 0.00 C ATOM 530 CG LEU A 37 21.607 -13.015 -3.420 1.00 0.00 C ATOM 531 CD1 LEU A 37 22.852 -13.060 -2.547 1.00 0.00 C ATOM 532 CD2 LEU A 37 21.466 -14.303 -4.217 1.00 0.00 C ATOM 0 H LEU A 37 20.644 -10.699 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 37 18.788 -12.755 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.648 -12.170 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.018 -13.734 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 37 21.709 -12.187 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 37 23.728 -13.232 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.962 -12.112 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.759 -13.868 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 37 22.361 -14.458 -4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.339 -15.142 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.597 -14.233 -4.871 1.00 0.00 H new ATOM 544 N ARG A 38 18.261 -10.711 -1.500 1.00 0.00 N ATOM 545 CA ARG A 38 17.279 -10.313 -0.499 1.00 0.00 C ATOM 546 C ARG A 38 16.067 -9.659 -1.156 1.00 0.00 C ATOM 547 O ARG A 38 16.198 -8.682 -1.893 1.00 0.00 O ATOM 548 CB ARG A 38 17.907 -9.349 0.509 1.00 0.00 C ATOM 549 CG ARG A 38 19.008 -9.977 1.348 1.00 0.00 C ATOM 550 CD ARG A 38 18.437 -10.851 2.454 1.00 0.00 C ATOM 551 NE ARG A 38 18.237 -12.229 2.015 1.00 0.00 N ATOM 552 CZ ARG A 38 19.220 -13.116 1.907 1.00 0.00 C ATOM 553 NH1 ARG A 38 20.465 -12.770 2.205 1.00 0.00 N ATOM 554 NH2 ARG A 38 18.959 -14.352 1.500 1.00 0.00 N ATOM 0 H ARG A 38 19.075 -10.100 -1.558 1.00 0.00 H new ATOM 0 HA ARG A 38 16.948 -11.210 0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 38 18.314 -8.491 -0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 38 17.128 -8.971 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.657 -10.575 0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.626 -9.193 1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 38 19.111 -10.838 3.311 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.487 -10.436 2.790 1.00 0.00 H new ATOM 0 HE ARG A 38 17.291 -12.527 1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 38 20.670 -11.821 2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 38 21.218 -13.453 2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.003 -14.622 1.270 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.715 -15.032 1.418 1.00 0.00 H new ATOM 568 N LYS A 39 14.887 -10.206 -0.884 1.00 0.00 N ATOM 569 CA LYS A 39 13.650 -9.677 -1.448 1.00 0.00 C ATOM 570 C LYS A 39 12.639 -9.369 -0.348 1.00 0.00 C ATOM 571 O LYS A 39 12.181 -10.256 0.373 1.00 0.00 O ATOM 572 CB LYS A 39 13.051 -10.674 -2.442 1.00 0.00 C ATOM 573 CG LYS A 39 11.663 -10.291 -2.926 1.00 0.00 C ATOM 574 CD LYS A 39 11.069 -11.365 -3.821 1.00 0.00 C ATOM 575 CE LYS A 39 11.933 -11.608 -5.049 1.00 0.00 C ATOM 576 NZ LYS A 39 11.150 -12.197 -6.171 1.00 0.00 N ATOM 0 H LYS A 39 14.761 -11.016 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 39 13.885 -8.750 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.715 -10.761 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.005 -11.657 -1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.010 -10.128 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.714 -9.349 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.966 -12.293 -3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.068 -11.068 -4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.378 -10.667 -5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.754 -12.276 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.775 -12.347 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.746 -13.107 -5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.382 -11.548 -6.437 1.00 0.00 H new ATOM 590 N PRO A 40 12.279 -8.084 -0.216 1.00 0.00 N ATOM 591 CA PRO A 40 11.316 -7.631 0.792 1.00 0.00 C ATOM 592 C PRO A 40 9.897 -8.099 0.490 1.00 0.00 C ATOM 593 O PRO A 40 9.587 -8.491 -0.636 1.00 0.00 O ATOM 594 CB PRO A 40 11.406 -6.105 0.708 1.00 0.00 C ATOM 595 CG PRO A 40 11.879 -5.829 -0.678 1.00 0.00 C ATOM 596 CD PRO A 40 12.784 -6.974 -1.041 1.00 0.00 C ATOM 0 HA PRO A 40 11.542 -8.031 1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.438 -5.640 0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.099 -5.708 1.449 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.040 -5.760 -1.370 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.412 -4.879 -0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.730 -7.207 -2.104 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.827 -6.749 -0.817 1.00 0.00 H new ATOM 604 N THR A 41 9.036 -8.055 1.502 1.00 0.00 N ATOM 605 CA THR A 41 7.649 -8.475 1.345 1.00 0.00 C ATOM 606 C THR A 41 6.690 -7.335 1.666 1.00 0.00 C ATOM 607 O THR A 41 6.912 -6.570 2.605 1.00 0.00 O ATOM 608 CB THR A 41 7.321 -9.678 2.249 1.00 0.00 C ATOM 609 OG1 THR A 41 8.317 -10.694 2.093 1.00 0.00 O ATOM 610 CG2 THR A 41 5.950 -10.247 1.915 1.00 0.00 C ATOM 0 H THR A 41 9.275 -7.732 2.440 1.00 0.00 H new ATOM 0 HA THR A 41 7.523 -8.769 0.303 1.00 0.00 H new ATOM 0 HB THR A 41 7.312 -9.336 3.284 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.102 -11.455 2.672 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.740 -11.096 2.566 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.191 -9.479 2.064 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.935 -10.575 0.876 1.00 0.00 H new ATOM 618 N ILE A 42 5.623 -7.227 0.882 1.00 0.00 N ATOM 619 CA ILE A 42 4.628 -6.181 1.085 1.00 0.00 C ATOM 620 C ILE A 42 3.254 -6.776 1.371 1.00 0.00 C ATOM 621 O ILE A 42 2.790 -7.666 0.658 1.00 0.00 O ATOM 622 CB ILE A 42 4.528 -5.254 -0.141 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.509 -4.142 0.115 1.00 0.00 C ATOM 624 CG2 ILE A 42 4.149 -6.052 -1.379 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.600 -2.999 -0.872 1.00 0.00 C ATOM 0 H ILE A 42 5.425 -7.851 0.100 1.00 0.00 H new ATOM 0 HA ILE A 42 4.955 -5.598 1.946 1.00 0.00 H new ATOM 0 HB ILE A 42 5.502 -4.796 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.505 -4.565 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.653 -3.753 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.082 -5.383 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.908 -6.811 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.185 -6.535 -1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.848 -2.248 -0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.592 -2.550 -0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.426 -3.374 -1.880 1.00 0.00 H new ATOM 637 N LYS A 43 2.607 -6.279 2.419 1.00 0.00 N ATOM 638 CA LYS A 43 1.283 -6.758 2.800 1.00 0.00 C ATOM 639 C LYS A 43 0.322 -5.593 3.010 1.00 0.00 C ATOM 640 O LYS A 43 0.511 -4.775 3.910 1.00 0.00 O ATOM 641 CB LYS A 43 1.371 -7.598 4.077 1.00 0.00 C ATOM 642 CG LYS A 43 0.086 -8.339 4.406 1.00 0.00 C ATOM 643 CD LYS A 43 0.060 -9.718 3.769 1.00 0.00 C ATOM 644 CE LYS A 43 0.961 -10.693 4.513 1.00 0.00 C ATOM 645 NZ LYS A 43 1.380 -11.830 3.648 1.00 0.00 N ATOM 0 H LYS A 43 2.978 -5.544 3.021 1.00 0.00 H new ATOM 0 HA LYS A 43 0.901 -7.378 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.181 -8.320 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.630 -6.948 4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.014 -8.435 5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.769 -7.760 4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.962 -10.098 3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.380 -9.646 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.844 -10.167 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.437 -11.076 5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.992 -12.472 4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.538 -12.347 3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.902 -11.466 2.825 1.00 0.00 H new ATOM 659 N TRP A 44 -0.708 -5.525 2.175 1.00 0.00 N ATOM 660 CA TRP A 44 -1.700 -4.460 2.271 1.00 0.00 C ATOM 661 C TRP A 44 -2.775 -4.807 3.294 1.00 0.00 C ATOM 662 O TRP A 44 -3.278 -5.931 3.323 1.00 0.00 O ATOM 663 CB TRP A 44 -2.341 -4.207 0.905 1.00 0.00 C ATOM 664 CG TRP A 44 -1.341 -4.001 -0.192 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.639 -4.969 -0.853 1.00 0.00 C ATOM 666 CD2 TRP A 44 -0.930 -2.750 -0.753 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.183 -4.393 -1.792 1.00 0.00 N ATOM 668 CE2 TRP A 44 0.023 -3.034 -1.751 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.276 -1.418 -0.512 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.633 -2.033 -2.503 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.670 -0.426 -1.259 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.275 -0.738 -2.246 1.00 0.00 C ATOM 0 H TRP A 44 -0.878 -6.194 1.424 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.192 -3.553 2.600 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.980 -5.052 0.650 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.984 -3.329 0.970 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.718 -6.030 -0.665 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.811 -4.897 -2.418 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.005 -1.168 0.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.363 -2.271 -3.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.929 0.607 -1.079 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.729 0.060 -2.815 1.00 0.00 H new ATOM 683 N PHE A 45 -3.124 -3.837 4.133 1.00 0.00 N ATOM 684 CA PHE A 45 -4.140 -4.042 5.159 1.00 0.00 C ATOM 685 C PHE A 45 -5.187 -2.933 5.116 1.00 0.00 C ATOM 686 O PHE A 45 -4.922 -1.830 4.638 1.00 0.00 O ATOM 687 CB PHE A 45 -3.492 -4.093 6.544 1.00 0.00 C ATOM 688 CG PHE A 45 -2.794 -5.392 6.832 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.520 -6.530 7.143 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.412 -5.474 6.791 1.00 0.00 C ATOM 691 CE1 PHE A 45 -2.881 -7.727 7.408 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.767 -6.668 7.054 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.502 -7.795 7.364 1.00 0.00 C ATOM 0 H PHE A 45 -2.718 -2.901 4.123 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.635 -4.993 4.961 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.774 -3.277 6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.258 -3.926 7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.598 -6.482 7.179 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.832 -4.595 6.551 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.459 -8.607 7.649 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.311 -6.719 7.017 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.000 -8.728 7.572 1.00 0.00 H new ATOM 703 N LYS A 46 -6.380 -3.235 5.618 1.00 0.00 N ATOM 704 CA LYS A 46 -7.469 -2.266 5.639 1.00 0.00 C ATOM 705 C LYS A 46 -8.252 -2.356 6.945 1.00 0.00 C ATOM 706 O LYS A 46 -8.163 -3.348 7.667 1.00 0.00 O ATOM 707 CB LYS A 46 -8.407 -2.497 4.453 1.00 0.00 C ATOM 708 CG LYS A 46 -9.058 -1.226 3.935 1.00 0.00 C ATOM 709 CD LYS A 46 -10.429 -1.503 3.342 1.00 0.00 C ATOM 710 CE LYS A 46 -11.357 -0.308 3.499 1.00 0.00 C ATOM 711 NZ LYS A 46 -12.782 -0.723 3.620 1.00 0.00 N ATOM 0 H LYS A 46 -6.617 -4.144 6.016 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.036 -1.268 5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.847 -2.964 3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.186 -3.200 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.151 -0.506 4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.419 -0.771 3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.326 -1.749 2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.869 -2.373 3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.069 0.262 4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.244 0.355 2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.355 0.089 3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.125 -1.061 2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.863 -1.487 4.321 1.00 0.00 H new ATOM 725 N GLY A 47 -9.022 -1.313 7.241 1.00 0.00 N ATOM 726 CA GLY A 47 -9.811 -1.295 8.459 1.00 0.00 C ATOM 727 C GLY A 47 -8.955 -1.395 9.706 1.00 0.00 C ATOM 728 O GLY A 47 -8.014 -0.622 9.886 1.00 0.00 O ATOM 0 H GLY A 47 -9.113 -0.480 6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.395 -0.376 8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.520 -2.123 8.441 1.00 0.00 H new ATOM 732 N LYS A 48 -9.281 -2.349 10.571 1.00 0.00 N ATOM 733 CA LYS A 48 -8.536 -2.548 11.808 1.00 0.00 C ATOM 734 C LYS A 48 -7.621 -3.765 11.703 1.00 0.00 C ATOM 735 O LYS A 48 -6.406 -3.655 11.862 1.00 0.00 O ATOM 736 CB LYS A 48 -9.498 -2.721 12.986 1.00 0.00 C ATOM 737 CG LYS A 48 -8.851 -2.488 14.340 1.00 0.00 C ATOM 738 CD LYS A 48 -9.892 -2.301 15.431 1.00 0.00 C ATOM 739 CE LYS A 48 -10.317 -0.845 15.552 1.00 0.00 C ATOM 740 NZ LYS A 48 -11.507 -0.687 16.433 1.00 0.00 N ATOM 0 H LYS A 48 -10.057 -2.997 10.438 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.920 -1.665 11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.332 -2.029 12.868 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.913 -3.728 12.960 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.210 -3.334 14.588 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.211 -1.607 14.292 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.763 -2.919 15.214 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.488 -2.644 16.384 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.490 -0.257 15.950 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.543 -0.449 14.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.766 0.319 16.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.304 -1.228 16.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.284 -1.042 17.385 1.00 0.00 H new ATOM 754 N TRP A 49 -8.214 -4.922 11.433 1.00 0.00 N ATOM 755 CA TRP A 49 -7.451 -6.159 11.305 1.00 0.00 C ATOM 756 C TRP A 49 -7.779 -6.868 9.996 1.00 0.00 C ATOM 757 O TRP A 49 -7.531 -8.064 9.848 1.00 0.00 O ATOM 758 CB TRP A 49 -7.741 -7.086 12.487 1.00 0.00 C ATOM 759 CG TRP A 49 -7.917 -6.356 13.785 1.00 0.00 C ATOM 760 CD1 TRP A 49 -9.094 -5.941 14.338 1.00 0.00 C ATOM 761 CD2 TRP A 49 -6.882 -5.955 14.689 1.00 0.00 C ATOM 762 NE1 TRP A 49 -8.853 -5.305 15.533 1.00 0.00 N ATOM 763 CE2 TRP A 49 -7.504 -5.301 15.771 1.00 0.00 C ATOM 764 CE3 TRP A 49 -5.491 -6.085 14.691 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -6.782 -4.780 16.840 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -4.775 -5.568 15.754 1.00 0.00 C ATOM 767 CH2 TRP A 49 -5.421 -4.922 16.817 1.00 0.00 C ATOM 0 H TRP A 49 -9.219 -5.030 11.299 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.391 -5.904 11.303 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.643 -7.661 12.276 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.924 -7.801 12.588 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -10.070 -6.090 13.901 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -9.564 -4.902 16.143 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.984 -6.581 13.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -7.278 -4.281 17.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -3.699 -5.663 15.766 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.834 -4.529 17.633 1.00 0.00 H new ATOM 778 N MET A 50 -8.338 -6.122 9.048 1.00 0.00 N ATOM 779 CA MET A 50 -8.699 -6.680 7.750 1.00 0.00 C ATOM 780 C MET A 50 -7.467 -6.835 6.864 1.00 0.00 C ATOM 781 O MET A 50 -6.692 -5.894 6.692 1.00 0.00 O ATOM 782 CB MET A 50 -9.732 -5.790 7.057 1.00 0.00 C ATOM 783 CG MET A 50 -10.503 -6.498 5.955 1.00 0.00 C ATOM 784 SD MET A 50 -9.429 -7.128 4.650 1.00 0.00 S ATOM 785 CE MET A 50 -10.047 -6.222 3.235 1.00 0.00 C ATOM 0 H MET A 50 -8.551 -5.130 9.155 1.00 0.00 H new ATOM 0 HA MET A 50 -9.133 -7.666 7.914 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.437 -5.418 7.801 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.226 -4.921 6.635 1.00 0.00 H new ATOM 0 HG2 MET A 50 -11.068 -7.325 6.386 1.00 0.00 H new ATOM 0 HG3 MET A 50 -11.227 -5.808 5.523 1.00 0.00 H new ATOM 0 HE1 MET A 50 -9.404 -6.408 2.375 1.00 0.00 H new ATOM 0 HE2 MET A 50 -11.061 -6.550 3.008 1.00 0.00 H new ATOM 0 HE3 MET A 50 -10.052 -5.155 3.460 1.00 0.00 H new ATOM 795 N ASP A 51 -7.292 -8.027 6.304 1.00 0.00 N ATOM 796 CA ASP A 51 -6.155 -8.304 5.434 1.00 0.00 C ATOM 797 C ASP A 51 -6.596 -8.407 3.978 1.00 0.00 C ATOM 798 O ASP A 51 -7.308 -9.337 3.598 1.00 0.00 O ATOM 799 CB ASP A 51 -5.461 -9.598 5.863 1.00 0.00 C ATOM 800 CG ASP A 51 -4.261 -9.926 4.997 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.446 -9.014 4.742 1.00 0.00 O ATOM 802 OD2 ASP A 51 -4.135 -11.094 4.575 1.00 0.00 O ATOM 0 H ASP A 51 -7.923 -8.817 6.437 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.451 -7.476 5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.142 -9.509 6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.174 -10.421 5.818 1.00 0.00 H new ATOM 807 N LEU A 52 -6.170 -7.445 3.167 1.00 0.00 N ATOM 808 CA LEU A 52 -6.522 -7.426 1.751 1.00 0.00 C ATOM 809 C LEU A 52 -5.915 -8.620 1.023 1.00 0.00 C ATOM 810 O LEU A 52 -6.494 -9.139 0.070 1.00 0.00 O ATOM 811 CB LEU A 52 -6.047 -6.124 1.104 1.00 0.00 C ATOM 812 CG LEU A 52 -6.345 -4.841 1.881 1.00 0.00 C ATOM 813 CD1 LEU A 52 -5.584 -3.667 1.285 1.00 0.00 C ATOM 814 CD2 LEU A 52 -7.840 -4.559 1.891 1.00 0.00 C ATOM 0 H LEU A 52 -5.580 -6.668 3.465 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.607 -7.489 1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.970 -6.190 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.505 -6.043 0.118 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.014 -4.977 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.809 -2.763 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.513 -3.867 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.884 -3.529 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.034 -3.642 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.195 -4.443 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.364 -5.389 2.365 1.00 0.00 H new ATOM 826 N ALA A 53 -4.744 -9.052 1.480 1.00 0.00 N ATOM 827 CA ALA A 53 -4.060 -10.188 0.875 1.00 0.00 C ATOM 828 C ALA A 53 -5.008 -11.369 0.696 1.00 0.00 C ATOM 829 O ALA A 53 -4.898 -12.125 -0.269 1.00 0.00 O ATOM 830 CB ALA A 53 -2.862 -10.595 1.721 1.00 0.00 C ATOM 0 H ALA A 53 -4.249 -8.632 2.267 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.709 -9.885 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.361 -11.445 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.167 -9.759 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.199 -10.874 2.719 1.00 0.00 H new ATOM 836 N SER A 54 -5.939 -11.521 1.632 1.00 0.00 N ATOM 837 CA SER A 54 -6.905 -12.613 1.579 1.00 0.00 C ATOM 838 C SER A 54 -8.000 -12.321 0.558 1.00 0.00 C ATOM 839 O SER A 54 -8.550 -13.234 -0.059 1.00 0.00 O ATOM 840 CB SER A 54 -7.526 -12.840 2.959 1.00 0.00 C ATOM 841 OG SER A 54 -8.449 -13.915 2.932 1.00 0.00 O ATOM 0 H SER A 54 -6.045 -10.902 2.436 1.00 0.00 H new ATOM 0 HA SER A 54 -6.378 -13.517 1.272 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.740 -13.049 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.030 -11.932 3.288 1.00 0.00 H new ATOM 0 HG SER A 54 -8.831 -14.041 3.826 1.00 0.00 H new ATOM 847 N LYS A 55 -8.312 -11.041 0.384 1.00 0.00 N ATOM 848 CA LYS A 55 -9.340 -10.626 -0.563 1.00 0.00 C ATOM 849 C LYS A 55 -8.857 -10.794 -1.999 1.00 0.00 C ATOM 850 O LYS A 55 -9.658 -10.970 -2.917 1.00 0.00 O ATOM 851 CB LYS A 55 -9.733 -9.168 -0.313 1.00 0.00 C ATOM 852 CG LYS A 55 -10.101 -8.875 1.131 1.00 0.00 C ATOM 853 CD LYS A 55 -11.427 -9.515 1.509 1.00 0.00 C ATOM 854 CE LYS A 55 -11.670 -9.448 3.009 1.00 0.00 C ATOM 855 NZ LYS A 55 -11.152 -10.656 3.709 1.00 0.00 N ATOM 0 H LYS A 55 -7.867 -10.273 0.887 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.213 -11.262 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.905 -8.522 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.578 -8.914 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.316 -9.246 1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.160 -7.797 1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.239 -9.010 0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.436 -10.555 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.189 -8.558 3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.738 -9.348 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.337 -10.572 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.629 -11.503 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.128 -10.738 3.548 1.00 0.00 H new ATOM 869 N ALA A 56 -7.542 -10.741 -2.187 1.00 0.00 N ATOM 870 CA ALA A 56 -6.952 -10.892 -3.511 1.00 0.00 C ATOM 871 C ALA A 56 -7.376 -12.208 -4.154 1.00 0.00 C ATOM 872 O ALA A 56 -7.028 -13.286 -3.673 1.00 0.00 O ATOM 873 CB ALA A 56 -5.436 -10.807 -3.426 1.00 0.00 C ATOM 0 H ALA A 56 -6.865 -10.594 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.315 -10.078 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.009 -10.921 -4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.148 -9.839 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.063 -11.600 -2.778 1.00 0.00 H new ATOM 879 N GLY A 57 -8.130 -12.114 -5.245 1.00 0.00 N ATOM 880 CA GLY A 57 -8.589 -13.305 -5.935 1.00 0.00 C ATOM 881 C GLY A 57 -9.229 -12.989 -7.273 1.00 0.00 C ATOM 882 O GLY A 57 -8.622 -13.191 -8.324 1.00 0.00 O ATOM 0 H GLY A 57 -8.431 -11.234 -5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.747 -13.980 -6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.308 -13.831 -5.307 1.00 0.00 H new ATOM 886 N LYS A 58 -10.462 -12.494 -7.234 1.00 0.00 N ATOM 887 CA LYS A 58 -11.187 -12.150 -8.451 1.00 0.00 C ATOM 888 C LYS A 58 -11.559 -10.671 -8.463 1.00 0.00 C ATOM 889 O LYS A 58 -11.501 -10.015 -9.504 1.00 0.00 O ATOM 890 CB LYS A 58 -12.450 -13.006 -8.576 1.00 0.00 C ATOM 891 CG LYS A 58 -12.859 -13.280 -10.013 1.00 0.00 C ATOM 892 CD LYS A 58 -14.359 -13.490 -10.135 1.00 0.00 C ATOM 893 CE LYS A 58 -14.775 -14.856 -9.610 1.00 0.00 C ATOM 894 NZ LYS A 58 -16.251 -15.045 -9.664 1.00 0.00 N ATOM 0 H LYS A 58 -10.980 -12.322 -6.372 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.535 -12.349 -9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.287 -13.955 -8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.271 -12.505 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.555 -12.445 -10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.336 -14.163 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.883 -12.711 -9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.657 -13.394 -11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.288 -15.634 -10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.432 -14.970 -8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.494 -15.988 -9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.716 -14.318 -9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.576 -14.962 -10.648 1.00 0.00 H new ATOM 908 N HIS A 59 -11.939 -10.151 -7.301 1.00 0.00 N ATOM 909 CA HIS A 59 -12.319 -8.748 -7.178 1.00 0.00 C ATOM 910 C HIS A 59 -11.084 -7.860 -7.056 1.00 0.00 C ATOM 911 O HIS A 59 -11.063 -6.736 -7.558 1.00 0.00 O ATOM 912 CB HIS A 59 -13.227 -8.548 -5.964 1.00 0.00 C ATOM 913 CG HIS A 59 -14.613 -9.082 -6.159 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.519 -8.522 -7.034 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.245 -10.133 -5.586 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.650 -9.204 -6.990 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.509 -10.188 -6.119 1.00 0.00 N ATOM 0 H HIS A 59 -11.992 -10.680 -6.430 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.862 -8.464 -8.079 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.777 -9.036 -5.099 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.285 -7.484 -5.735 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.832 -10.804 -4.847 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.538 -8.993 -7.567 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.223 -10.876 -5.881 1.00 0.00 H new ATOM 926 N LEU A 60 -10.057 -8.372 -6.386 1.00 0.00 N ATOM 927 CA LEU A 60 -8.818 -7.625 -6.197 1.00 0.00 C ATOM 928 C LEU A 60 -7.613 -8.450 -6.638 1.00 0.00 C ATOM 929 O LEU A 60 -7.566 -9.660 -6.423 1.00 0.00 O ATOM 930 CB LEU A 60 -8.664 -7.218 -4.730 1.00 0.00 C ATOM 931 CG LEU A 60 -7.314 -6.616 -4.340 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.495 -5.539 -3.281 1.00 0.00 C ATOM 933 CD2 LEU A 60 -6.369 -7.701 -3.843 1.00 0.00 C ATOM 0 H LEU A 60 -10.058 -9.301 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.865 -6.727 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.444 -6.496 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.841 -8.096 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.874 -6.156 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.523 -5.122 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.135 -4.748 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.957 -5.974 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.413 -7.254 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.803 -8.190 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.213 -8.437 -4.632 1.00 0.00 H new ATOM 945 N GLN A 61 -6.641 -7.784 -7.252 1.00 0.00 N ATOM 946 CA GLN A 61 -5.435 -8.456 -7.722 1.00 0.00 C ATOM 947 C GLN A 61 -4.200 -7.597 -7.468 1.00 0.00 C ATOM 948 O GLN A 61 -4.072 -6.499 -8.010 1.00 0.00 O ATOM 949 CB GLN A 61 -5.551 -8.775 -9.213 1.00 0.00 C ATOM 950 CG GLN A 61 -6.713 -9.694 -9.550 1.00 0.00 C ATOM 951 CD GLN A 61 -6.337 -11.161 -9.480 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.933 -11.759 -10.478 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.466 -11.750 -8.297 1.00 0.00 N ATOM 0 H GLN A 61 -6.664 -6.781 -7.436 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.328 -9.388 -7.166 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.663 -7.843 -9.768 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.623 -9.237 -9.550 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.536 -9.501 -8.861 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.075 -9.463 -10.552 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.805 -11.217 -7.496 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.226 -12.736 -8.189 1.00 0.00 H new ATOM 962 N LEU A 62 -3.293 -8.105 -6.641 1.00 0.00 N ATOM 963 CA LEU A 62 -2.067 -7.385 -6.314 1.00 0.00 C ATOM 964 C LEU A 62 -1.003 -7.608 -7.384 1.00 0.00 C ATOM 965 O LEU A 62 -1.115 -8.517 -8.207 1.00 0.00 O ATOM 966 CB LEU A 62 -1.537 -7.831 -4.951 1.00 0.00 C ATOM 967 CG LEU A 62 -2.581 -7.998 -3.846 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.955 -8.622 -2.609 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.215 -6.657 -3.506 1.00 0.00 C ATOM 0 H LEU A 62 -3.383 -9.013 -6.185 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.300 -6.321 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.017 -8.781 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.796 -7.105 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.362 -8.666 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.713 -8.733 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.548 -9.601 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.154 -7.980 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.956 -6.794 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.444 -5.967 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.700 -6.249 -4.393 1.00 0.00 H new ATOM 981 N LYS A 63 0.031 -6.773 -7.366 1.00 0.00 N ATOM 982 CA LYS A 63 1.118 -6.880 -8.332 1.00 0.00 C ATOM 983 C LYS A 63 2.470 -6.682 -7.653 1.00 0.00 C ATOM 984 O LYS A 63 2.563 -6.029 -6.614 1.00 0.00 O ATOM 985 CB LYS A 63 0.940 -5.849 -9.448 1.00 0.00 C ATOM 986 CG LYS A 63 1.396 -6.342 -10.810 1.00 0.00 C ATOM 987 CD LYS A 63 0.957 -5.401 -11.920 1.00 0.00 C ATOM 988 CE LYS A 63 1.705 -5.678 -13.214 1.00 0.00 C ATOM 989 NZ LYS A 63 1.768 -4.473 -14.088 1.00 0.00 N ATOM 0 H LYS A 63 0.139 -6.015 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 63 1.090 -7.881 -8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.111 -5.567 -9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.498 -4.948 -9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.482 -6.435 -10.819 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.989 -7.337 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.115 -5.509 -12.088 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.129 -4.369 -11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.716 -6.013 -12.984 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.214 -6.490 -13.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.286 -4.703 -14.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.803 -4.168 -14.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.259 -3.706 -13.586 1.00 0.00 H new ATOM 1003 N GLU A 64 3.515 -7.248 -8.249 1.00 0.00 N ATOM 1004 CA GLU A 64 4.861 -7.132 -7.701 1.00 0.00 C ATOM 1005 C GLU A 64 5.909 -7.239 -8.805 1.00 0.00 C ATOM 1006 O GLU A 64 5.850 -8.135 -9.649 1.00 0.00 O ATOM 1007 CB GLU A 64 5.102 -8.214 -6.647 1.00 0.00 C ATOM 1008 CG GLU A 64 6.572 -8.462 -6.354 1.00 0.00 C ATOM 1009 CD GLU A 64 6.808 -9.766 -5.616 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.671 -9.779 -4.375 1.00 0.00 O ATOM 1011 OE2 GLU A 64 7.130 -10.773 -6.281 1.00 0.00 O ATOM 0 H GLU A 64 3.455 -7.791 -9.110 1.00 0.00 H new ATOM 0 HA GLU A 64 4.951 -6.152 -7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.599 -7.928 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.645 -9.145 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.129 -8.473 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.965 -7.637 -5.760 1.00 0.00 H new ATOM 1018 N THR A 65 6.869 -6.320 -8.794 1.00 0.00 N ATOM 1019 CA THR A 65 7.929 -6.309 -9.794 1.00 0.00 C ATOM 1020 C THR A 65 9.233 -5.780 -9.207 1.00 0.00 C ATOM 1021 O THR A 65 9.231 -5.086 -8.190 1.00 0.00 O ATOM 1022 CB THR A 65 7.543 -5.451 -11.013 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.372 -5.787 -12.131 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.683 -3.969 -10.698 1.00 0.00 C ATOM 0 H THR A 65 6.934 -5.573 -8.103 1.00 0.00 H new ATOM 0 HA THR A 65 8.070 -7.341 -10.116 1.00 0.00 H new ATOM 0 HB THR A 65 6.501 -5.657 -11.259 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.119 -5.238 -12.902 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.405 -3.383 -11.574 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.028 -3.711 -9.866 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.716 -3.750 -10.428 1.00 0.00 H new ATOM 1032 N PHE A 66 10.345 -6.112 -9.854 1.00 0.00 N ATOM 1033 CA PHE A 66 11.657 -5.670 -9.396 1.00 0.00 C ATOM 1034 C PHE A 66 12.448 -5.039 -10.538 1.00 0.00 C ATOM 1035 O PHE A 66 12.263 -5.390 -11.703 1.00 0.00 O ATOM 1036 CB PHE A 66 12.439 -6.847 -8.809 1.00 0.00 C ATOM 1037 CG PHE A 66 13.901 -6.561 -8.618 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.322 -5.633 -7.679 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.854 -7.219 -9.378 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.667 -5.367 -7.501 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.200 -6.958 -9.205 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.607 -6.030 -8.266 1.00 0.00 C ATOM 0 H PHE A 66 10.364 -6.686 -10.697 1.00 0.00 H new ATOM 0 HA PHE A 66 11.509 -4.918 -8.621 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.002 -7.120 -7.848 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.329 -7.710 -9.466 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.591 -5.111 -7.079 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.541 -7.945 -10.114 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.982 -4.642 -6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.933 -7.479 -9.803 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.658 -5.823 -8.130 1.00 0.00 H new ATOM 1052 N GLU A 67 13.330 -4.105 -10.194 1.00 0.00 N ATOM 1053 CA GLU A 67 14.148 -3.424 -11.191 1.00 0.00 C ATOM 1054 C GLU A 67 15.623 -3.465 -10.804 1.00 0.00 C ATOM 1055 O GLU A 67 16.094 -2.638 -10.023 1.00 0.00 O ATOM 1056 CB GLU A 67 13.692 -1.973 -11.351 1.00 0.00 C ATOM 1057 CG GLU A 67 12.563 -1.797 -12.353 1.00 0.00 C ATOM 1058 CD GLU A 67 11.957 -0.407 -12.311 1.00 0.00 C ATOM 1059 OE1 GLU A 67 11.579 0.043 -11.210 1.00 0.00 O ATOM 1060 OE2 GLU A 67 11.861 0.230 -13.381 1.00 0.00 O ATOM 0 H GLU A 67 13.496 -3.803 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 67 14.025 -3.943 -12.141 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.369 -1.594 -10.382 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.542 -1.366 -11.664 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.939 -1.995 -13.357 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.786 -2.534 -12.152 1.00 0.00 H new ATOM 1067 N ARG A 68 16.347 -4.434 -11.355 1.00 0.00 N ATOM 1068 CA ARG A 68 17.768 -4.585 -11.067 1.00 0.00 C ATOM 1069 C ARG A 68 18.548 -3.354 -11.519 1.00 0.00 C ATOM 1070 O ARG A 68 19.624 -3.061 -10.996 1.00 0.00 O ATOM 1071 CB ARG A 68 18.320 -5.834 -11.757 1.00 0.00 C ATOM 1072 CG ARG A 68 17.590 -6.194 -13.040 1.00 0.00 C ATOM 1073 CD ARG A 68 16.545 -7.272 -12.803 1.00 0.00 C ATOM 1074 NE ARG A 68 16.359 -8.122 -13.976 1.00 0.00 N ATOM 1075 CZ ARG A 68 17.149 -9.149 -14.272 1.00 0.00 C ATOM 1076 NH1 ARG A 68 18.171 -9.451 -13.484 1.00 0.00 N ATOM 1077 NH2 ARG A 68 16.915 -9.875 -15.357 1.00 0.00 N ATOM 0 H ARG A 68 15.972 -5.126 -12.004 1.00 0.00 H new ATOM 0 HA ARG A 68 17.885 -4.692 -9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.375 -5.679 -11.981 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.261 -6.676 -11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.110 -5.305 -13.449 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.308 -6.539 -13.784 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.844 -7.887 -11.954 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.596 -6.805 -12.540 1.00 0.00 H new ATOM 0 HE ARG A 68 15.580 -7.916 -14.602 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.353 -8.895 -12.648 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.776 -10.240 -13.713 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.129 -9.645 -15.965 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.521 -10.663 -15.584 1.00 0.00 H new ATOM 1091 N HIS A 69 17.999 -2.637 -12.494 1.00 0.00 N ATOM 1092 CA HIS A 69 18.643 -1.437 -13.017 1.00 0.00 C ATOM 1093 C HIS A 69 19.036 -0.494 -11.884 1.00 0.00 C ATOM 1094 O HIS A 69 20.134 0.063 -11.879 1.00 0.00 O ATOM 1095 CB HIS A 69 17.713 -0.719 -13.995 1.00 0.00 C ATOM 1096 CG HIS A 69 16.983 -1.645 -14.918 1.00 0.00 C ATOM 1097 ND1 HIS A 69 15.770 -2.219 -14.603 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.301 -2.095 -16.155 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.374 -2.984 -15.605 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.285 -2.925 -16.559 1.00 0.00 N ATOM 0 H HIS A 69 17.110 -2.866 -12.938 1.00 0.00 H new ATOM 0 HA HIS A 69 19.548 -1.740 -13.544 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.986 -0.135 -13.430 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.297 -0.014 -14.588 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.188 -1.847 -16.719 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.461 -3.560 -15.638 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.241 -3.417 -17.452 1.00 0.00 H new ATOM 1109 N SER A 70 18.132 -0.319 -10.926 1.00 0.00 N ATOM 1110 CA SER A 70 18.382 0.561 -9.790 1.00 0.00 C ATOM 1111 C SER A 70 18.256 -0.202 -8.474 1.00 0.00 C ATOM 1112 O SER A 70 18.299 0.389 -7.395 1.00 0.00 O ATOM 1113 CB SER A 70 17.407 1.739 -9.805 1.00 0.00 C ATOM 1114 OG SER A 70 17.745 2.668 -10.821 1.00 0.00 O ATOM 0 H SER A 70 17.220 -0.775 -10.913 1.00 0.00 H new ATOM 0 HA SER A 70 19.400 0.941 -9.874 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.393 1.374 -9.965 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.418 2.236 -8.835 1.00 0.00 H new ATOM 0 HG SER A 70 17.106 3.411 -10.811 1.00 0.00 H new ATOM 1120 N ARG A 71 18.099 -1.518 -8.573 1.00 0.00 N ATOM 1121 CA ARG A 71 17.965 -2.362 -7.392 1.00 0.00 C ATOM 1122 C ARG A 71 16.797 -1.902 -6.525 1.00 0.00 C ATOM 1123 O ARG A 71 16.868 -1.942 -5.297 1.00 0.00 O ATOM 1124 CB ARG A 71 19.258 -2.343 -6.576 1.00 0.00 C ATOM 1125 CG ARG A 71 20.363 -3.205 -7.165 1.00 0.00 C ATOM 1126 CD ARG A 71 21.314 -3.704 -6.088 1.00 0.00 C ATOM 1127 NE ARG A 71 22.423 -2.779 -5.867 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.409 -2.591 -6.737 1.00 0.00 C ATOM 1129 NH1 ARG A 71 23.423 -3.260 -7.882 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.382 -1.733 -6.464 1.00 0.00 N ATOM 0 H ARG A 71 18.061 -2.023 -9.459 1.00 0.00 H new ATOM 0 HA ARG A 71 17.769 -3.381 -7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.613 -1.315 -6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.044 -2.684 -5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.924 -4.055 -7.687 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.919 -2.630 -7.905 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.766 -3.842 -5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.707 -4.679 -6.375 1.00 0.00 H new ATOM 0 HE ARG A 71 22.441 -2.248 -4.996 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.676 -3.920 -8.096 1.00 0.00 H new ATOM 0 HH12 ARG A 71 24.181 -3.114 -8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 71 24.374 -1.216 -5.585 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.138 -1.590 -7.133 1.00 0.00 H new ATOM 1144 N VAL A 72 15.721 -1.465 -7.173 1.00 0.00 N ATOM 1145 CA VAL A 72 14.538 -0.997 -6.462 1.00 0.00 C ATOM 1146 C VAL A 72 13.314 -1.833 -6.822 1.00 0.00 C ATOM 1147 O VAL A 72 13.087 -2.148 -7.990 1.00 0.00 O ATOM 1148 CB VAL A 72 14.244 0.482 -6.771 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.941 0.917 -6.118 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.398 1.361 -6.314 1.00 0.00 C ATOM 0 H VAL A 72 15.645 -1.426 -8.189 1.00 0.00 H new ATOM 0 HA VAL A 72 14.747 -1.103 -5.397 1.00 0.00 H new ATOM 0 HB VAL A 72 14.136 0.594 -7.850 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.751 1.965 -6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.122 0.307 -6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.015 0.790 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.173 2.403 -6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.540 1.245 -5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.309 1.065 -6.834 1.00 0.00 H new ATOM 1160 N TYR A 73 12.529 -2.189 -5.811 1.00 0.00 N ATOM 1161 CA TYR A 73 11.329 -2.990 -6.021 1.00 0.00 C ATOM 1162 C TYR A 73 10.102 -2.099 -6.187 1.00 0.00 C ATOM 1163 O TYR A 73 10.062 -0.975 -5.686 1.00 0.00 O ATOM 1164 CB TYR A 73 11.121 -3.951 -4.849 1.00 0.00 C ATOM 1165 CG TYR A 73 12.121 -5.084 -4.811 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.421 -4.875 -4.366 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.766 -6.364 -5.218 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.338 -5.907 -4.329 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.677 -7.403 -5.184 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.961 -7.169 -4.739 1.00 0.00 C ATOM 1171 OH TYR A 73 14.872 -8.200 -4.703 1.00 0.00 O ATOM 0 H TYR A 73 12.702 -1.936 -4.838 1.00 0.00 H new ATOM 0 HA TYR A 73 11.463 -3.567 -6.936 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.183 -3.391 -3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.115 -4.367 -4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.719 -3.888 -4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.761 -6.550 -5.567 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.344 -5.727 -3.981 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.385 -8.392 -5.504 1.00 0.00 H new ATOM 0 HH TYR A 73 15.225 -8.293 -3.794 1.00 0.00 H new ATOM 1181 N THR A 74 9.099 -2.610 -6.895 1.00 0.00 N ATOM 1182 CA THR A 74 7.870 -1.863 -7.129 1.00 0.00 C ATOM 1183 C THR A 74 6.644 -2.755 -6.964 1.00 0.00 C ATOM 1184 O THR A 74 6.383 -3.626 -7.794 1.00 0.00 O ATOM 1185 CB THR A 74 7.851 -1.239 -8.537 1.00 0.00 C ATOM 1186 OG1 THR A 74 9.008 -0.416 -8.723 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.593 -0.408 -8.744 1.00 0.00 C ATOM 0 H THR A 74 9.114 -3.539 -7.316 1.00 0.00 H new ATOM 0 HA THR A 74 7.839 -1.066 -6.386 1.00 0.00 H new ATOM 0 HB THR A 74 7.858 -2.047 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.990 -0.024 -9.621 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.602 0.023 -9.745 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.715 -1.043 -8.630 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.560 0.393 -8.005 1.00 0.00 H new ATOM 1195 N PHE A 75 5.896 -2.532 -5.889 1.00 0.00 N ATOM 1196 CA PHE A 75 4.697 -3.316 -5.616 1.00 0.00 C ATOM 1197 C PHE A 75 3.439 -2.486 -5.850 1.00 0.00 C ATOM 1198 O PHE A 75 3.349 -1.340 -5.411 1.00 0.00 O ATOM 1199 CB PHE A 75 4.719 -3.836 -4.177 1.00 0.00 C ATOM 1200 CG PHE A 75 6.058 -4.367 -3.752 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.610 -5.473 -4.377 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.764 -3.760 -2.726 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.842 -5.963 -3.988 1.00 0.00 C ATOM 1204 CE2 PHE A 75 7.997 -4.245 -2.333 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.536 -5.349 -2.964 1.00 0.00 C ATOM 0 H PHE A 75 6.099 -1.815 -5.193 1.00 0.00 H new ATOM 0 HA PHE A 75 4.684 -4.164 -6.301 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.426 -3.031 -3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.974 -4.625 -4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.071 -5.958 -5.178 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.346 -2.898 -2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.262 -6.825 -4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.538 -3.761 -1.533 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.498 -5.731 -2.657 1.00 0.00 H new ATOM 1215 N GLU A 76 2.470 -3.073 -6.545 1.00 0.00 N ATOM 1216 CA GLU A 76 1.217 -2.387 -6.839 1.00 0.00 C ATOM 1217 C GLU A 76 0.027 -3.165 -6.283 1.00 0.00 C ATOM 1218 O GLU A 76 0.161 -4.319 -5.879 1.00 0.00 O ATOM 1219 CB GLU A 76 1.055 -2.197 -8.349 1.00 0.00 C ATOM 1220 CG GLU A 76 2.291 -1.630 -9.026 1.00 0.00 C ATOM 1221 CD GLU A 76 2.447 -2.114 -10.455 1.00 0.00 C ATOM 1222 OE1 GLU A 76 1.500 -1.936 -11.249 1.00 0.00 O ATOM 1223 OE2 GLU A 76 3.517 -2.671 -10.779 1.00 0.00 O ATOM 0 H GLU A 76 2.528 -4.022 -6.915 1.00 0.00 H new ATOM 0 HA GLU A 76 1.247 -1.409 -6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.810 -3.157 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.212 -1.532 -8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.238 -0.541 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.175 -1.910 -8.453 1.00 0.00 H new ATOM 1230 N MET A 77 -1.136 -2.522 -6.265 1.00 0.00 N ATOM 1231 CA MET A 77 -2.349 -3.153 -5.759 1.00 0.00 C ATOM 1232 C MET A 77 -3.552 -2.792 -6.626 1.00 0.00 C ATOM 1233 O MET A 77 -4.051 -1.669 -6.573 1.00 0.00 O ATOM 1234 CB MET A 77 -2.604 -2.730 -4.312 1.00 0.00 C ATOM 1235 CG MET A 77 -3.736 -3.495 -3.645 1.00 0.00 C ATOM 1236 SD MET A 77 -5.301 -2.600 -3.691 1.00 0.00 S ATOM 1237 CE MET A 77 -5.176 -1.623 -2.194 1.00 0.00 C ATOM 0 H MET A 77 -1.264 -1.565 -6.595 1.00 0.00 H new ATOM 0 HA MET A 77 -2.209 -4.233 -5.795 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.691 -2.872 -3.734 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.833 -1.665 -4.289 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.858 -4.459 -4.139 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.469 -3.700 -2.608 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.056 -0.987 -2.100 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.114 -2.286 -1.331 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.282 -1.001 -2.239 1.00 0.00 H new ATOM 1247 N GLN A 78 -4.010 -3.752 -7.423 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.153 -3.534 -8.302 1.00 0.00 C ATOM 1249 C GLN A 78 -6.450 -3.966 -7.626 1.00 0.00 C ATOM 1250 O GLN A 78 -6.527 -5.049 -7.044 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.968 -4.299 -9.614 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.468 -3.542 -10.834 1.00 0.00 C ATOM 1253 CD GLN A 78 -5.223 -4.295 -12.127 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -6.116 -4.416 -12.967 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -4.009 -4.806 -12.294 1.00 0.00 N ATOM 0 H GLN A 78 -3.607 -4.688 -7.478 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.215 -2.467 -8.518 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.910 -4.527 -9.746 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.493 -5.252 -9.547 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.536 -3.350 -10.726 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.973 -2.572 -10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.300 -4.682 -11.572 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.786 -5.323 -13.144 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.466 -3.113 -7.705 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.759 -3.408 -7.101 1.00 0.00 C ATOM 1266 C ILE A 79 -9.871 -3.385 -8.145 1.00 0.00 C ATOM 1267 O ILE A 79 -10.265 -2.321 -8.623 1.00 0.00 O ATOM 1268 CB ILE A 79 -9.100 -2.406 -5.982 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -8.028 -2.444 -4.891 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.470 -2.711 -5.397 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.560 -2.127 -3.511 1.00 0.00 C ATOM 0 H ILE A 79 -7.418 -2.212 -8.181 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.686 -4.407 -6.672 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.124 -1.403 -6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.570 -3.433 -4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.241 -1.732 -5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.696 -1.994 -4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.224 -2.638 -6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.473 -3.719 -4.983 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.746 -2.172 -2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.992 -1.126 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.326 -2.854 -3.241 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.374 -4.565 -8.492 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.442 -4.680 -9.476 1.00 0.00 C ATOM 1285 C ILE A 80 -12.811 -4.684 -8.804 1.00 0.00 C ATOM 1286 O ILE A 80 -13.039 -5.412 -7.837 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.294 -5.959 -10.321 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.820 -6.220 -10.638 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.105 -5.843 -11.604 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.156 -7.180 -9.676 1.00 0.00 C ATOM 0 H ILE A 80 -10.059 -5.455 -8.106 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.363 -3.811 -10.130 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.677 -6.802 -9.747 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.739 -6.618 -11.650 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.280 -5.273 -10.624 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.990 -6.755 -12.191 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.157 -5.700 -11.358 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.749 -4.991 -12.184 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.113 -7.318 -9.961 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.205 -6.774 -8.665 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.671 -8.140 -9.707 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.721 -3.867 -9.322 1.00 0.00 N ATOM 1303 CA LYS A 81 -15.070 -3.777 -8.775 1.00 0.00 C ATOM 1304 C LYS A 81 -15.048 -3.187 -7.369 1.00 0.00 C ATOM 1305 O LYS A 81 -15.655 -3.732 -6.447 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.725 -5.160 -8.750 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.735 -5.853 -10.101 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.938 -6.769 -10.249 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.804 -7.674 -11.464 1.00 0.00 C ATOM 1310 NZ LYS A 81 -18.106 -8.287 -11.845 1.00 0.00 N ATOM 0 H LYS A 81 -13.549 -3.257 -10.121 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.653 -3.117 -9.417 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.198 -5.789 -8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.751 -5.061 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.746 -5.106 -10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.819 -6.432 -10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.046 -7.377 -9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.844 -6.170 -10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.414 -7.099 -12.304 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.080 -8.461 -11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.972 -8.897 -12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.467 -8.856 -11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.790 -7.537 -12.072 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.347 -2.069 -7.212 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.250 -1.403 -5.919 1.00 0.00 C ATOM 1326 C ALA A 82 -15.633 -1.119 -5.342 1.00 0.00 C ATOM 1327 O ALA A 82 -16.335 -0.216 -5.800 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.455 -0.113 -6.047 1.00 0.00 C ATOM 0 H ALA A 82 -13.838 -1.605 -7.964 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.729 -2.071 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.391 0.373 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.451 -0.338 -6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.952 0.552 -6.753 1.00 0.00 H new ATOM 1334 N LYS A 83 -16.021 -1.895 -4.336 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.320 -1.726 -3.696 1.00 0.00 C ATOM 1336 C LYS A 83 -17.274 -0.612 -2.655 1.00 0.00 C ATOM 1337 O LYS A 83 -16.198 -0.169 -2.254 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.761 -3.036 -3.038 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.698 -4.235 -3.967 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.913 -5.537 -3.213 1.00 0.00 C ATOM 1341 CE LYS A 83 -17.283 -6.714 -3.943 1.00 0.00 C ATOM 1342 NZ LYS A 83 -15.908 -6.400 -4.419 1.00 0.00 N ATOM 0 H LYS A 83 -15.454 -2.648 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 83 -18.042 -1.451 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.131 -3.227 -2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.782 -2.923 -2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.456 -4.134 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.730 -4.259 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.484 -5.455 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.981 -5.714 -3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.249 -7.577 -3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -17.907 -6.990 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.325 -7.261 -4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.951 -6.046 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.486 -5.674 -3.806 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.448 -0.165 -2.221 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.541 0.895 -1.225 1.00 0.00 C ATOM 1358 C ASP A 84 -17.868 0.477 0.079 1.00 0.00 C ATOM 1359 O ASP A 84 -17.595 1.309 0.942 1.00 0.00 O ATOM 1360 CB ASP A 84 -20.005 1.254 -0.966 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.695 0.254 -0.060 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -20.688 -0.950 -0.392 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -21.240 0.675 0.981 1.00 0.00 O ATOM 0 H ASP A 84 -19.348 -0.521 -2.544 1.00 0.00 H new ATOM 0 HA ASP A 84 -18.024 1.772 -1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.059 2.245 -0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.537 1.306 -1.916 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.606 -0.819 0.214 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.968 -1.349 1.414 1.00 0.00 C ATOM 1370 C ASN A 85 -15.449 -1.235 1.317 1.00 0.00 C ATOM 1371 O ASN A 85 -14.731 -1.540 2.269 1.00 0.00 O ATOM 1372 CB ASN A 85 -17.369 -2.810 1.627 1.00 0.00 C ATOM 1373 CG ASN A 85 -18.723 -2.946 2.296 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -18.748 -3.592 3.455 1.00 0.00 O flip ATOM 1375 ND2 ASN A 85 -19.735 -2.475 1.775 1.00 0.00 N flip ATOM 0 H ASN A 85 -17.825 -1.521 -0.492 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.305 -0.759 2.266 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -17.389 -3.322 0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.614 -3.306 2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.669 -1.986 0.882 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -20.639 -2.574 2.236 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.967 -0.794 0.160 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.534 -0.640 -0.062 1.00 0.00 C ATOM 1384 C PHE A 86 -13.055 0.731 0.406 1.00 0.00 C ATOM 1385 O PHE A 86 -11.854 0.983 0.498 1.00 0.00 O ATOM 1386 CB PHE A 86 -13.203 -0.830 -1.544 1.00 0.00 C ATOM 1387 CG PHE A 86 -13.347 -2.249 -2.013 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.527 -2.945 -1.806 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -12.302 -2.888 -2.661 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.662 -4.252 -2.236 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -12.431 -4.194 -3.094 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.613 -4.877 -2.882 1.00 0.00 C ATOM 0 H PHE A 86 -15.548 -0.537 -0.638 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.017 -1.404 0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.856 -0.191 -2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.181 -0.498 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -15.351 -2.461 -1.303 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.376 -2.359 -2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.587 -4.784 -2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.609 -4.680 -3.598 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.717 -5.897 -3.221 1.00 0.00 H new ATOM 1402 N ALA A 87 -14.004 1.614 0.699 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.681 2.959 1.159 1.00 0.00 C ATOM 1404 C ALA A 87 -13.399 2.974 2.657 1.00 0.00 C ATOM 1405 O ALA A 87 -14.295 2.751 3.470 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.813 3.918 0.823 1.00 0.00 C ATOM 0 H ALA A 87 -15.003 1.422 0.626 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.778 3.286 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.558 4.919 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.965 3.938 -0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.729 3.585 1.312 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.146 3.238 3.016 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.768 3.276 4.417 1.00 0.00 C ATOM 1414 C GLY A 88 -10.308 3.632 4.615 1.00 0.00 C ATOM 1415 O GLY A 88 -9.730 4.370 3.818 1.00 0.00 O ATOM 0 H GLY A 88 -11.386 3.426 2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.390 4.004 4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.966 2.305 4.870 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.711 3.109 5.680 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.310 3.378 5.981 1.00 0.00 C ATOM 1421 C ASN A 89 -7.443 2.163 5.667 1.00 0.00 C ATOM 1422 O ASN A 89 -7.621 1.093 6.249 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.149 3.767 7.452 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.709 4.077 7.814 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.129 3.444 8.696 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.125 5.055 7.131 1.00 0.00 N ATOM 0 H ASN A 89 -10.176 2.496 6.350 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.982 4.207 5.354 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.770 4.637 7.665 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.512 2.955 8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.157 5.308 7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.644 5.553 6.408 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.504 2.336 4.744 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.609 1.254 4.351 1.00 0.00 C ATOM 1435 C TYR A 90 -4.271 1.363 5.074 1.00 0.00 C ATOM 1436 O TYR A 90 -3.975 2.378 5.706 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.387 1.273 2.837 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.572 0.770 2.045 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.806 1.402 2.126 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.457 -0.338 1.214 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.892 0.946 1.405 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.537 -0.801 0.487 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.753 -0.156 0.586 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.831 -0.613 -0.135 1.00 0.00 O ATOM 0 H TYR A 90 -6.343 3.216 4.254 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.076 0.310 4.632 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.158 2.292 2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.516 0.663 2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.918 2.266 2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.507 -0.846 1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.845 1.449 1.482 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.430 -1.663 -0.155 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.652 -0.202 0.208 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.465 0.311 4.977 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.158 0.287 5.621 1.00 0.00 C ATOM 1456 C ARG A 91 -1.169 -0.550 4.815 1.00 0.00 C ATOM 1457 O ARG A 91 -1.517 -1.612 4.298 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.276 -0.271 7.041 1.00 0.00 C ATOM 1459 CG ARG A 91 -0.937 -0.458 7.736 1.00 0.00 C ATOM 1460 CD ARG A 91 -0.418 0.853 8.305 1.00 0.00 C ATOM 1461 NE ARG A 91 -1.228 1.321 9.427 1.00 0.00 N ATOM 1462 CZ ARG A 91 -1.170 0.795 10.645 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -0.345 -0.212 10.897 1.00 0.00 N ATOM 1464 NH2 ARG A 91 -1.939 1.275 11.614 1.00 0.00 N ATOM 0 H ARG A 91 -3.695 -0.537 4.458 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.786 1.310 5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.894 0.401 7.636 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.793 -1.230 7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.041 -1.188 8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.212 -0.862 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.614 0.723 8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.411 1.611 7.522 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.874 2.094 9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.247 -0.584 10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.302 -0.614 11.833 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.576 2.049 11.424 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.893 0.870 12.549 1.00 0.00 H new ATOM 1478 N CYS A 92 0.063 -0.064 4.712 1.00 0.00 N ATOM 1479 CA CYS A 92 1.102 -0.767 3.967 1.00 0.00 C ATOM 1480 C CYS A 92 2.244 -1.183 4.889 1.00 0.00 C ATOM 1481 O CYS A 92 2.808 -0.357 5.605 1.00 0.00 O ATOM 1482 CB CYS A 92 1.637 0.118 2.840 1.00 0.00 C ATOM 1483 SG CYS A 92 2.954 -0.645 1.865 1.00 0.00 S ATOM 0 H CYS A 92 0.367 0.813 5.134 1.00 0.00 H new ATOM 0 HA CYS A 92 0.661 -1.666 3.536 1.00 0.00 H new ATOM 0 HB2 CYS A 92 0.813 0.380 2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 92 2.009 1.048 3.269 1.00 0.00 H new ATOM 0 HG CYS A 92 3.339 0.179 0.936 1.00 0.00 H new ATOM 1489 N GLU A 93 2.577 -2.470 4.865 1.00 0.00 N ATOM 1490 CA GLU A 93 3.651 -2.996 5.700 1.00 0.00 C ATOM 1491 C GLU A 93 4.711 -3.690 4.851 1.00 0.00 C ATOM 1492 O GLU A 93 4.412 -4.622 4.104 1.00 0.00 O ATOM 1493 CB GLU A 93 3.089 -3.973 6.735 1.00 0.00 C ATOM 1494 CG GLU A 93 2.317 -3.297 7.855 1.00 0.00 C ATOM 1495 CD GLU A 93 0.858 -3.075 7.507 1.00 0.00 C ATOM 1496 OE1 GLU A 93 0.566 -2.789 6.328 1.00 0.00 O ATOM 1497 OE2 GLU A 93 0.009 -3.187 8.416 1.00 0.00 O ATOM 0 H GLU A 93 2.119 -3.167 4.277 1.00 0.00 H new ATOM 0 HA GLU A 93 4.118 -2.158 6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.434 -4.685 6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.911 -4.545 7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.383 -3.907 8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.782 -2.338 8.084 1.00 0.00 H new ATOM 1504 N VAL A 94 5.952 -3.229 4.970 1.00 0.00 N ATOM 1505 CA VAL A 94 7.058 -3.805 4.214 1.00 0.00 C ATOM 1506 C VAL A 94 8.310 -3.922 5.075 1.00 0.00 C ATOM 1507 O VAL A 94 8.830 -2.923 5.575 1.00 0.00 O ATOM 1508 CB VAL A 94 7.383 -2.963 2.966 1.00 0.00 C ATOM 1509 CG1 VAL A 94 8.538 -3.580 2.192 1.00 0.00 C ATOM 1510 CG2 VAL A 94 6.153 -2.824 2.082 1.00 0.00 C ATOM 0 H VAL A 94 6.217 -2.458 5.583 1.00 0.00 H new ATOM 0 HA VAL A 94 6.743 -4.800 3.900 1.00 0.00 H new ATOM 0 HB VAL A 94 7.684 -1.967 3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.754 -2.972 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.421 -3.623 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.268 -4.588 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.401 -2.226 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.819 -3.812 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.356 -2.334 2.642 1.00 0.00 H new ATOM 1520 N THR A 95 8.792 -5.149 5.246 1.00 0.00 N ATOM 1521 CA THR A 95 9.983 -5.398 6.048 1.00 0.00 C ATOM 1522 C THR A 95 11.195 -5.669 5.163 1.00 0.00 C ATOM 1523 O THR A 95 11.054 -6.067 4.006 1.00 0.00 O ATOM 1524 CB THR A 95 9.781 -6.591 7.000 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.484 -6.521 7.605 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.850 -6.608 8.082 1.00 0.00 C ATOM 0 H THR A 95 8.375 -5.986 4.839 1.00 0.00 H new ATOM 0 HA THR A 95 10.160 -4.498 6.638 1.00 0.00 H new ATOM 0 HB THR A 95 9.861 -7.509 6.418 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.391 -5.670 8.082 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.686 -7.460 8.742 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.834 -6.691 7.620 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.797 -5.685 8.660 1.00 0.00 H new ATOM 1534 N TYR A 96 12.384 -5.451 5.713 1.00 0.00 N ATOM 1535 CA TYR A 96 13.620 -5.671 4.972 1.00 0.00 C ATOM 1536 C TYR A 96 14.752 -6.079 5.910 1.00 0.00 C ATOM 1537 O TYR A 96 14.578 -6.130 7.128 1.00 0.00 O ATOM 1538 CB TYR A 96 14.011 -4.407 4.205 1.00 0.00 C ATOM 1539 CG TYR A 96 15.027 -4.651 3.112 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.894 -5.724 2.240 1.00 0.00 C ATOM 1541 CD2 TYR A 96 16.120 -3.808 2.952 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.820 -5.952 1.240 1.00 0.00 C ATOM 1543 CE2 TYR A 96 17.050 -4.027 1.954 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.896 -5.101 1.102 1.00 0.00 C ATOM 1545 OH TYR A 96 17.821 -5.323 0.107 1.00 0.00 O ATOM 0 H TYR A 96 12.518 -5.122 6.669 1.00 0.00 H new ATOM 0 HA TYR A 96 13.449 -6.481 4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 96 13.116 -3.967 3.765 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.413 -3.676 4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.052 -6.392 2.345 1.00 0.00 H new ATOM 0 HD2 TYR A 96 16.245 -2.968 3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.702 -6.791 0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.893 -3.361 1.842 1.00 0.00 H new ATOM 0 HH TYR A 96 17.383 -5.755 -0.656 1.00 0.00 H new ATOM 1611 N PHE A 100 12.541 -1.251 8.046 1.00 0.00 N ATOM 1612 CA PHE A 100 11.107 -1.516 8.013 1.00 0.00 C ATOM 1613 C PHE A 100 10.311 -0.237 8.254 1.00 0.00 C ATOM 1614 O PHE A 100 10.531 0.468 9.239 1.00 0.00 O ATOM 1615 CB PHE A 100 10.737 -2.565 9.064 1.00 0.00 C ATOM 1616 CG PHE A 100 9.289 -2.533 9.460 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.338 -3.211 8.715 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.878 -1.823 10.577 1.00 0.00 C ATOM 1619 CE1 PHE A 100 7.004 -3.184 9.076 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.545 -1.793 10.943 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.607 -2.473 10.191 1.00 0.00 C ATOM 0 HA PHE A 100 10.856 -1.898 7.023 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.978 -3.555 8.677 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.351 -2.411 9.951 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.643 -3.768 7.841 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.607 -1.288 11.168 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.273 -3.718 8.487 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.237 -1.238 11.817 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.565 -2.449 10.475 1.00 0.00 H new ATOM 1631 N ASP A 101 9.387 0.057 7.346 1.00 0.00 N ATOM 1632 CA ASP A 101 8.557 1.251 7.458 1.00 0.00 C ATOM 1633 C ASP A 101 7.149 0.985 6.935 1.00 0.00 C ATOM 1634 O ASP A 101 6.973 0.400 5.866 1.00 0.00 O ATOM 1635 CB ASP A 101 9.190 2.411 6.689 1.00 0.00 C ATOM 1636 CG ASP A 101 8.679 3.761 7.154 1.00 0.00 C ATOM 1637 OD1 ASP A 101 7.486 3.852 7.512 1.00 0.00 O ATOM 1638 OD2 ASP A 101 9.473 4.726 7.161 1.00 0.00 O ATOM 0 H ASP A 101 9.194 -0.515 6.524 1.00 0.00 H new ATOM 0 HA ASP A 101 8.488 1.519 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.273 2.375 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.983 2.294 5.625 1.00 0.00 H new ATOM 1643 N SER A 102 6.149 1.418 7.696 1.00 0.00 N ATOM 1644 CA SER A 102 4.756 1.223 7.311 1.00 0.00 C ATOM 1645 C SER A 102 4.050 2.563 7.128 1.00 0.00 C ATOM 1646 O SER A 102 4.273 3.504 7.890 1.00 0.00 O ATOM 1647 CB SER A 102 4.026 0.389 8.366 1.00 0.00 C ATOM 1648 OG SER A 102 3.847 1.125 9.564 1.00 0.00 O ATOM 0 H SER A 102 6.277 1.906 8.582 1.00 0.00 H new ATOM 0 HA SER A 102 4.738 0.690 6.360 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.056 0.076 7.979 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.594 -0.518 8.574 1.00 0.00 H new ATOM 0 HG SER A 102 3.377 0.571 10.221 1.00 0.00 H new ATOM 1654 N CYS A 103 3.198 2.641 6.111 1.00 0.00 N ATOM 1655 CA CYS A 103 2.459 3.865 5.826 1.00 0.00 C ATOM 1656 C CYS A 103 0.986 3.564 5.567 1.00 0.00 C ATOM 1657 O CYS A 103 0.650 2.582 4.906 1.00 0.00 O ATOM 1658 CB CYS A 103 3.065 4.582 4.618 1.00 0.00 C ATOM 1659 SG CYS A 103 2.778 3.743 3.042 1.00 0.00 S ATOM 0 H CYS A 103 3.002 1.871 5.471 1.00 0.00 H new ATOM 0 HA CYS A 103 2.530 4.514 6.699 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.652 5.589 4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 103 4.139 4.686 4.772 1.00 0.00 H new ATOM 0 HG CYS A 103 3.764 3.992 2.232 1.00 0.00 H new ATOM 1665 N SER A 104 0.112 4.415 6.095 1.00 0.00 N ATOM 1666 CA SER A 104 -1.325 4.237 5.925 1.00 0.00 C ATOM 1667 C SER A 104 -1.913 5.350 5.064 1.00 0.00 C ATOM 1668 O SER A 104 -1.531 6.514 5.187 1.00 0.00 O ATOM 1669 CB SER A 104 -2.021 4.210 7.288 1.00 0.00 C ATOM 1670 OG SER A 104 -1.854 5.440 7.970 1.00 0.00 O ATOM 0 H SER A 104 0.374 5.234 6.644 1.00 0.00 H new ATOM 0 HA SER A 104 -1.491 3.285 5.420 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.083 4.007 7.153 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.615 3.398 7.891 1.00 0.00 H new ATOM 0 HG SER A 104 -2.309 5.398 8.837 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.846 4.984 4.191 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.487 5.950 3.307 1.00 0.00 C ATOM 1678 C PHE A 105 -5.003 5.916 3.471 1.00 0.00 C ATOM 1679 O PHE A 105 -5.532 5.177 4.302 1.00 0.00 O ATOM 1680 CB PHE A 105 -3.114 5.667 1.850 1.00 0.00 C ATOM 1681 CG PHE A 105 -3.126 4.206 1.502 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -2.117 3.366 1.946 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -4.145 3.672 0.730 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -2.124 2.021 1.628 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -4.158 2.328 0.409 1.00 0.00 C ATOM 1686 CZ PHE A 105 -3.146 1.501 0.858 1.00 0.00 C ATOM 0 H PHE A 105 -3.175 4.025 4.077 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.132 6.944 3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.809 6.194 1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.121 6.071 1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.315 3.767 2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.938 4.313 0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.332 1.378 1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.959 1.924 -0.193 1.00 0.00 H new ATOM 0 HZ PHE A 105 -3.154 0.451 0.607 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.697 6.721 2.674 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.153 6.783 2.730 1.00 0.00 C ATOM 1698 C ASP A 106 -7.761 6.539 1.353 1.00 0.00 C ATOM 1699 O ASP A 106 -7.410 7.208 0.380 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.607 8.141 3.268 1.00 0.00 C ATOM 1701 CG ASP A 106 -6.815 9.291 2.678 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -7.137 9.716 1.549 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -5.873 9.767 3.346 1.00 0.00 O ATOM 0 H ASP A 106 -5.275 7.340 1.982 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.499 6.000 3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.665 8.281 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.504 8.152 4.353 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.673 5.576 1.276 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.329 5.242 0.017 1.00 0.00 C ATOM 1710 C LEU A 107 -10.822 5.546 0.084 1.00 0.00 C ATOM 1711 O LEU A 107 -11.517 5.096 0.994 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.113 3.765 -0.318 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.460 3.342 -1.746 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -10.947 3.046 -1.868 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.047 4.421 -2.736 1.00 0.00 C ATOM 0 H LEU A 107 -8.975 5.013 2.071 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.886 5.855 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.067 3.520 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.708 3.166 0.372 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.908 2.431 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.176 2.747 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.215 2.239 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.518 3.940 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.301 4.104 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.572 5.348 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.972 4.586 -2.667 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.309 6.313 -0.888 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.720 6.676 -0.939 1.00 0.00 C ATOM 1729 C GLU A 108 -13.418 5.984 -2.106 1.00 0.00 C ATOM 1730 O GLU A 108 -12.778 5.589 -3.081 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.875 8.193 -1.065 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.963 8.909 0.272 1.00 0.00 C ATOM 1733 CD GLU A 108 -13.979 8.279 1.205 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -15.027 7.812 0.713 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -13.726 8.255 2.428 1.00 0.00 O ATOM 0 H GLU A 108 -10.747 6.694 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.187 6.346 -0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.029 8.591 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.772 8.411 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.983 8.901 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.228 9.953 0.104 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.735 5.839 -2.000 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.521 5.196 -3.045 1.00 0.00 C ATOM 1744 C VAL A 109 -16.770 6.007 -3.372 1.00 0.00 C ATOM 1745 O VAL A 109 -17.600 6.267 -2.501 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.940 3.771 -2.636 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.583 3.046 -3.808 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.743 2.994 -2.110 1.00 0.00 C ATOM 0 H VAL A 109 -15.280 6.159 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.886 5.140 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.677 3.844 -1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.872 2.041 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.467 3.594 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.871 2.982 -4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.057 1.990 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.981 2.929 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.331 3.505 -1.240 1.00 0.00 H new ATOM 1758 N HIS A 110 -16.897 6.405 -4.635 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.045 7.186 -5.078 1.00 0.00 C ATOM 1760 C HIS A 110 -19.032 6.313 -5.848 1.00 0.00 C ATOM 1761 O HIS A 110 -18.635 5.384 -6.550 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.588 8.353 -5.954 1.00 0.00 C ATOM 1763 CG HIS A 110 -16.826 9.402 -5.204 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -16.659 10.689 -5.670 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.184 9.348 -4.013 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -15.947 11.381 -4.799 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.647 10.591 -3.784 1.00 0.00 N ATOM 0 H HIS A 110 -16.219 6.199 -5.368 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.547 7.580 -4.194 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -16.963 7.969 -6.760 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.461 8.812 -6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.108 8.488 -3.364 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.659 12.417 -4.900 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.105 10.860 -2.963 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.318 6.618 -5.709 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.361 5.860 -6.391 1.00 0.00 C ATOM 1778 C GLU A 111 -21.293 6.077 -7.899 1.00 0.00 C ATOM 1779 O GLU A 111 -21.364 7.209 -8.378 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.741 6.263 -5.867 1.00 0.00 C ATOM 1781 CG GLU A 111 -22.964 5.912 -4.406 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.433 5.885 -4.030 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -24.984 6.960 -3.716 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -25.031 4.789 -4.051 1.00 0.00 O ATOM 0 H GLU A 111 -20.663 7.384 -5.131 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.198 4.802 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -22.870 7.337 -5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.506 5.774 -6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.522 4.938 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.446 6.637 -3.779 1.00 0.00 H new ATOM 1791 N SER A 112 -21.155 4.984 -8.643 1.00 0.00 N ATOM 1792 CA SER A 112 -21.074 5.054 -10.097 1.00 0.00 C ATOM 1793 C SER A 112 -22.399 5.519 -10.694 1.00 0.00 C ATOM 1794 O SER A 112 -22.456 6.520 -11.409 1.00 0.00 O ATOM 1795 CB SER A 112 -20.692 3.690 -10.675 1.00 0.00 C ATOM 1796 OG SER A 112 -20.749 3.701 -12.090 1.00 0.00 O ATOM 0 H SER A 112 -21.097 4.039 -8.262 1.00 0.00 H new ATOM 0 HA SER A 112 -20.303 5.780 -10.358 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.686 3.423 -10.351 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.365 2.926 -10.287 1.00 0.00 H new ATOM 0 HG SER A 112 -20.499 2.818 -12.434 1.00 0.00 H new