USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 68 MET CE :methyl -157:sc= -0.0437 (180deg=-0.907) USER MOD Set 1.2: A 70 GLN : amide:sc= -0.0366 X(o=-0.08,f=-0.41) USER MOD Set 2.1: A 31 SER OG : rot 176:sc= 0.0765 USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= 0.0762 USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 67:sc= 0.0135 USER MOD Single : A 17 GLN : amide:sc= -1.45 K(o=-1.4,f=-4.6!) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0144 K(o=-0.014,f=-0.64) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -139:sc= 0.364 USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0175) USER MOD Single : A 44 MET CE :methyl -119:sc= -1.98 (180deg=-5.85!) USER MOD Single : A 50 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.26) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 73 LYS NZ :NH3+ -170:sc= -0.395 (180deg=-0.786) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 123:sc= 1.2 USER MOD Single : A 80 SER OG : rot 180:sc= -0.507 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -126:sc=-0.00571 (180deg=-2.02!) USER MOD Single : A 89 TYR OH : rot 47:sc= 1.16 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.121 USER MOD Single : A 96 LYS NZ :NH3+ -155:sc= -0.0116 (180deg=-0.887) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.25) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 56:sc= 1 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0673 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.746 22.004 4.087 1.00 0.00 N ATOM 67 CA GLU A 8 2.380 20.694 4.173 1.00 0.00 C ATOM 68 C GLU A 8 1.483 19.615 3.572 1.00 0.00 C ATOM 69 O GLU A 8 0.411 19.908 3.041 1.00 0.00 O ATOM 70 CB GLU A 8 2.701 20.352 5.629 1.00 0.00 C ATOM 71 CG GLU A 8 1.518 20.517 6.568 1.00 0.00 C ATOM 72 CD GLU A 8 0.698 19.248 6.701 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.218 18.261 7.260 1.00 0.00 O ATOM 74 OE2 GLU A 8 -0.465 19.245 6.245 1.00 0.00 O ATOM 0 HA GLU A 8 3.308 20.730 3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.055 19.323 5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.517 20.988 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.879 20.817 7.552 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.879 21.322 6.204 1.00 0.00 H new ATOM 81 N VAL A 9 1.929 18.366 3.659 1.00 0.00 N ATOM 82 CA VAL A 9 1.168 17.243 3.125 1.00 0.00 C ATOM 83 C VAL A 9 0.292 16.613 4.202 1.00 0.00 C ATOM 84 O VAL A 9 0.720 16.440 5.343 1.00 0.00 O ATOM 85 CB VAL A 9 2.097 16.164 2.538 1.00 0.00 C ATOM 86 CG1 VAL A 9 2.876 15.470 3.644 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.296 15.158 1.725 1.00 0.00 C ATOM 0 H VAL A 9 2.814 18.106 4.095 1.00 0.00 H new ATOM 0 HA VAL A 9 0.535 17.638 2.330 1.00 0.00 H new ATOM 0 HB VAL A 9 2.812 16.647 1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.527 14.711 3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.480 16.203 4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.180 14.998 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.968 14.402 1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.557 14.678 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.789 15.672 0.908 1.00 0.00 H new ATOM 97 N ASP A 10 -0.937 16.269 3.830 1.00 0.00 N ATOM 98 CA ASP A 10 -1.874 15.656 4.764 1.00 0.00 C ATOM 99 C ASP A 10 -2.254 14.250 4.307 1.00 0.00 C ATOM 100 O ASP A 10 -2.598 14.020 3.148 1.00 0.00 O ATOM 101 CB ASP A 10 -3.130 16.518 4.899 1.00 0.00 C ATOM 102 CG ASP A 10 -3.790 16.371 6.257 1.00 0.00 C ATOM 103 OD1 ASP A 10 -4.279 15.263 6.561 1.00 0.00 O ATOM 104 OD2 ASP A 10 -3.817 17.363 7.014 1.00 0.00 O ATOM 0 H ASP A 10 -1.307 16.404 2.889 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.386 15.584 5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.869 17.564 4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.842 16.243 4.121 1.00 0.00 H new ATOM 109 N PRO A 11 -2.190 13.288 5.238 1.00 0.00 N ATOM 110 CA PRO A 11 -2.523 11.888 4.955 1.00 0.00 C ATOM 111 C PRO A 11 -4.014 11.686 4.708 1.00 0.00 C ATOM 112 O PRO A 11 -4.410 10.868 3.878 1.00 0.00 O ATOM 113 CB PRO A 11 -2.087 11.155 6.226 1.00 0.00 C ATOM 114 CG PRO A 11 -2.148 12.188 7.299 1.00 0.00 C ATOM 115 CD PRO A 11 -1.788 13.491 6.640 1.00 0.00 C ATOM 0 HA PRO A 11 -2.034 11.527 4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.748 10.316 6.446 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.080 10.749 6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.144 12.235 7.739 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.454 11.954 8.106 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.317 14.330 7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.722 13.703 6.726 1.00 0.00 H new ATOM 123 N ALA A 12 -4.836 12.436 5.434 1.00 0.00 N ATOM 124 CA ALA A 12 -6.284 12.340 5.292 1.00 0.00 C ATOM 125 C ALA A 12 -6.726 12.751 3.892 1.00 0.00 C ATOM 126 O ALA A 12 -7.832 12.426 3.458 1.00 0.00 O ATOM 127 CB ALA A 12 -6.975 13.200 6.339 1.00 0.00 C ATOM 0 H ALA A 12 -4.524 13.117 6.127 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.571 11.300 5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.056 13.119 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.692 12.859 7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.673 14.240 6.212 1.00 0.00 H new ATOM 133 N LYS A 13 -5.856 13.467 3.188 1.00 0.00 N ATOM 134 CA LYS A 13 -6.156 13.923 1.836 1.00 0.00 C ATOM 135 C LYS A 13 -5.511 13.009 0.798 1.00 0.00 C ATOM 136 O LYS A 13 -6.013 12.870 -0.318 1.00 0.00 O ATOM 137 CB LYS A 13 -5.667 15.360 1.639 1.00 0.00 C ATOM 138 CG LYS A 13 -6.099 16.306 2.746 1.00 0.00 C ATOM 139 CD LYS A 13 -7.435 16.957 2.433 1.00 0.00 C ATOM 140 CE LYS A 13 -8.596 16.137 2.974 1.00 0.00 C ATOM 141 NZ LYS A 13 -9.884 16.500 2.321 1.00 0.00 N ATOM 0 H LYS A 13 -4.937 13.744 3.532 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.237 13.892 1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.579 15.359 1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.040 15.735 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.171 15.759 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.341 17.077 2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.463 17.958 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.541 17.072 1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.396 15.077 2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.679 16.290 4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.650 15.919 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.088 17.505 2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.814 16.330 1.297 1.00 0.00 H new ATOM 155 N CYS A 14 -4.399 12.388 1.174 1.00 0.00 N ATOM 156 CA CYS A 14 -3.686 11.486 0.276 1.00 0.00 C ATOM 157 C CYS A 14 -4.597 10.358 -0.199 1.00 0.00 C ATOM 158 O CYS A 14 -5.564 10.002 0.475 1.00 0.00 O ATOM 159 CB CYS A 14 -2.456 10.905 0.974 1.00 0.00 C ATOM 160 SG CYS A 14 -1.078 12.065 1.130 1.00 0.00 S ATOM 0 H CYS A 14 -3.971 12.492 2.094 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.364 12.059 -0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.743 10.563 1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.118 10.028 0.421 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.412 13.031 1.934 1.00 0.00 H new ATOM 166 N VAL A 15 -4.283 9.801 -1.364 1.00 0.00 N ATOM 167 CA VAL A 15 -5.073 8.714 -1.929 1.00 0.00 C ATOM 168 C VAL A 15 -4.179 7.670 -2.588 1.00 0.00 C ATOM 169 O VAL A 15 -2.992 7.908 -2.818 1.00 0.00 O ATOM 170 CB VAL A 15 -6.084 9.237 -2.967 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.406 9.580 -2.298 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.519 10.443 -3.700 1.00 0.00 C ATOM 0 H VAL A 15 -3.487 10.085 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.616 8.254 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.268 8.450 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.108 9.948 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.816 8.688 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.243 10.350 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.247 10.799 -4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.305 11.236 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.600 10.159 -4.213 1.00 0.00 H new ATOM 182 N LEU A 16 -4.755 6.512 -2.891 1.00 0.00 N ATOM 183 CA LEU A 16 -4.011 5.429 -3.525 1.00 0.00 C ATOM 184 C LEU A 16 -4.550 5.144 -4.923 1.00 0.00 C ATOM 185 O LEU A 16 -5.746 5.281 -5.177 1.00 0.00 O ATOM 186 CB LEU A 16 -4.085 4.164 -2.669 1.00 0.00 C ATOM 187 CG LEU A 16 -3.757 4.336 -1.186 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.504 3.308 -0.350 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.257 4.226 -0.955 1.00 0.00 C ATOM 0 H LEU A 16 -5.735 6.299 -2.708 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.970 5.739 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.090 3.751 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.402 3.425 -3.088 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.080 5.330 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.257 3.447 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.577 3.435 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.213 2.305 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.042 4.351 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.909 3.246 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.744 5.002 -1.523 1.00 0.00 H new ATOM 201 N GLN A 17 -3.659 4.744 -5.825 1.00 0.00 N ATOM 202 CA GLN A 17 -4.046 4.438 -7.197 1.00 0.00 C ATOM 203 C GLN A 17 -4.037 2.933 -7.442 1.00 0.00 C ATOM 204 O GLN A 17 -3.226 2.206 -6.870 1.00 0.00 O ATOM 205 CB GLN A 17 -3.105 5.133 -8.182 1.00 0.00 C ATOM 206 CG GLN A 17 -3.523 6.555 -8.523 1.00 0.00 C ATOM 207 CD GLN A 17 -4.904 6.624 -9.143 1.00 0.00 C ATOM 208 OE1 GLN A 17 -5.558 5.600 -9.348 1.00 0.00 O ATOM 209 NE2 GLN A 17 -5.357 7.835 -9.447 1.00 0.00 N ATOM 0 H GLN A 17 -2.665 4.624 -5.630 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.060 4.807 -7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.100 5.150 -7.761 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.056 4.547 -9.100 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.504 7.162 -7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.798 6.988 -9.212 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.782 8.656 -9.260 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.280 7.944 -9.867 1.00 0.00 H new ATOM 218 N GLY A 18 -4.945 2.471 -8.296 1.00 0.00 N ATOM 219 CA GLY A 18 -5.024 1.055 -8.602 1.00 0.00 C ATOM 220 C GLY A 18 -6.451 0.545 -8.623 1.00 0.00 C ATOM 221 O GLY A 18 -7.349 1.172 -8.061 1.00 0.00 O ATOM 0 H GLY A 18 -5.628 3.053 -8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.561 0.870 -9.571 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.452 0.494 -7.863 1.00 0.00 H new ATOM 225 N GLU A 19 -6.662 -0.594 -9.275 1.00 0.00 N ATOM 226 CA GLU A 19 -7.991 -1.186 -9.369 1.00 0.00 C ATOM 227 C GLU A 19 -8.075 -2.469 -8.547 1.00 0.00 C ATOM 228 O GLU A 19 -8.964 -2.625 -7.709 1.00 0.00 O ATOM 229 CB GLU A 19 -8.341 -1.479 -10.829 1.00 0.00 C ATOM 230 CG GLU A 19 -8.924 -0.285 -11.567 1.00 0.00 C ATOM 231 CD GLU A 19 -9.227 -0.589 -13.021 1.00 0.00 C ATOM 232 OE1 GLU A 19 -8.302 -0.489 -13.854 1.00 0.00 O ATOM 233 OE2 GLU A 19 -10.390 -0.927 -13.326 1.00 0.00 O ATOM 0 H GLU A 19 -5.929 -1.125 -9.746 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.708 -0.470 -8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.443 -1.814 -11.349 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.055 -2.302 -10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.839 0.034 -11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.224 0.548 -11.512 1.00 0.00 H new ATOM 240 N ASP A 20 -7.145 -3.384 -8.794 1.00 0.00 N ATOM 241 CA ASP A 20 -7.113 -4.654 -8.077 1.00 0.00 C ATOM 242 C ASP A 20 -6.220 -4.559 -6.843 1.00 0.00 C ATOM 243 O ASP A 20 -5.353 -5.406 -6.625 1.00 0.00 O ATOM 244 CB ASP A 20 -6.616 -5.771 -8.997 1.00 0.00 C ATOM 245 CG ASP A 20 -5.318 -5.412 -9.693 1.00 0.00 C ATOM 246 OD1 ASP A 20 -5.315 -4.442 -10.479 1.00 0.00 O ATOM 247 OD2 ASP A 20 -4.305 -6.103 -9.454 1.00 0.00 O ATOM 0 H ASP A 20 -6.403 -3.271 -9.485 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.127 -4.886 -7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.473 -6.681 -8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.378 -5.988 -9.745 1.00 0.00 H new ATOM 252 N LEU A 21 -6.438 -3.523 -6.041 1.00 0.00 N ATOM 253 CA LEU A 21 -5.652 -3.317 -4.829 1.00 0.00 C ATOM 254 C LEU A 21 -6.159 -4.201 -3.694 1.00 0.00 C ATOM 255 O LEU A 21 -5.372 -4.809 -2.968 1.00 0.00 O ATOM 256 CB LEU A 21 -5.706 -1.847 -4.408 1.00 0.00 C ATOM 257 CG LEU A 21 -4.859 -0.880 -5.235 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.469 0.513 -5.220 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.429 -0.844 -4.715 1.00 0.00 C ATOM 0 H LEU A 21 -7.151 -2.813 -6.207 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.619 -3.591 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.744 -1.516 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.390 -1.776 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.841 -1.234 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.852 1.187 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.474 0.475 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.519 0.877 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.841 -0.150 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.428 -0.515 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.993 -1.841 -4.780 1.00 0.00 H new ATOM 271 N HIS A 22 -7.478 -4.272 -3.549 1.00 0.00 N ATOM 272 CA HIS A 22 -8.090 -5.085 -2.505 1.00 0.00 C ATOM 273 C HIS A 22 -7.911 -6.571 -2.798 1.00 0.00 C ATOM 274 O HIS A 22 -8.058 -7.411 -1.910 1.00 0.00 O ATOM 275 CB HIS A 22 -9.578 -4.755 -2.377 1.00 0.00 C ATOM 276 CG HIS A 22 -9.852 -3.536 -1.552 1.00 0.00 C ATOM 277 ND1 HIS A 22 -10.609 -3.562 -0.399 1.00 0.00 N ATOM 278 CD2 HIS A 22 -9.465 -2.249 -1.716 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.676 -2.344 0.108 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.990 -1.529 -0.672 1.00 0.00 N ATOM 0 H HIS A 22 -8.144 -3.776 -4.142 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.592 -4.855 -1.563 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.997 -4.611 -3.373 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.094 -5.607 -1.934 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.856 -1.861 -2.519 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.203 -2.063 1.008 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.870 -0.527 -0.523 1.00 0.00 H new ATOM 289 N ARG A 23 -7.593 -6.888 -4.049 1.00 0.00 N ATOM 290 CA ARG A 23 -7.395 -8.273 -4.459 1.00 0.00 C ATOM 291 C ARG A 23 -5.957 -8.506 -4.914 1.00 0.00 C ATOM 292 O ARG A 23 -5.342 -7.636 -5.529 1.00 0.00 O ATOM 293 CB ARG A 23 -8.362 -8.636 -5.588 1.00 0.00 C ATOM 294 CG ARG A 23 -9.674 -9.229 -5.098 1.00 0.00 C ATOM 295 CD ARG A 23 -10.249 -10.214 -6.104 1.00 0.00 C ATOM 296 NE ARG A 23 -11.157 -9.566 -7.047 1.00 0.00 N ATOM 297 CZ ARG A 23 -10.756 -8.987 -8.173 1.00 0.00 C ATOM 298 NH1 ARG A 23 -9.470 -8.975 -8.495 1.00 0.00 N ATOM 299 NH2 ARG A 23 -11.643 -8.418 -8.980 1.00 0.00 N ATOM 0 H ARG A 23 -7.467 -6.205 -4.796 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.594 -8.912 -3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.574 -7.743 -6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.877 -9.349 -6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.514 -9.733 -4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.392 -8.429 -4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.435 -10.689 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.780 -11.005 -5.574 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.153 -9.558 -6.829 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.786 -9.411 -7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.165 -8.530 -9.360 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.633 -8.425 -8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.334 -7.973 -9.845 1.00 0.00 H new ATOM 313 N ALA A 24 -5.428 -9.685 -4.605 1.00 0.00 N ATOM 314 CA ALA A 24 -4.063 -10.032 -4.982 1.00 0.00 C ATOM 315 C ALA A 24 -3.942 -11.520 -5.294 1.00 0.00 C ATOM 316 O ALA A 24 -4.823 -12.309 -4.953 1.00 0.00 O ATOM 317 CB ALA A 24 -3.094 -9.642 -3.876 1.00 0.00 C ATOM 0 H ALA A 24 -5.924 -10.416 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.809 -9.476 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.079 -9.907 -4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.153 -8.567 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.355 -10.172 -2.960 1.00 0.00 H new ATOM 323 N ARG A 25 -2.845 -11.896 -5.943 1.00 0.00 N ATOM 324 CA ARG A 25 -2.610 -13.290 -6.302 1.00 0.00 C ATOM 325 C ARG A 25 -1.317 -13.802 -5.674 1.00 0.00 C ATOM 326 O ARG A 25 -0.360 -13.048 -5.498 1.00 0.00 O ATOM 327 CB ARG A 25 -2.546 -13.443 -7.823 1.00 0.00 C ATOM 328 CG ARG A 25 -2.390 -14.883 -8.284 1.00 0.00 C ATOM 329 CD ARG A 25 -1.629 -14.968 -9.598 1.00 0.00 C ATOM 330 NE ARG A 25 -2.327 -14.276 -10.679 1.00 0.00 N ATOM 331 CZ ARG A 25 -1.953 -14.338 -11.953 1.00 0.00 C ATOM 332 NH1 ARG A 25 -0.895 -15.055 -12.302 1.00 0.00 N ATOM 333 NH2 ARG A 25 -2.639 -13.681 -12.879 1.00 0.00 N ATOM 0 H ARG A 25 -2.105 -11.256 -6.231 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.440 -13.883 -5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.454 -13.027 -8.260 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.710 -12.856 -8.204 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.864 -15.456 -7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.374 -15.337 -8.402 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.637 -14.535 -9.471 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.488 -16.014 -9.869 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.146 -13.715 -10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.365 -15.561 -11.592 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.610 -15.101 -13.280 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.454 -13.128 -12.614 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.352 -13.729 -13.856 1.00 0.00 H new ATOM 347 N GLU A 26 -1.298 -15.088 -5.338 1.00 0.00 N ATOM 348 CA GLU A 26 -0.123 -15.700 -4.728 1.00 0.00 C ATOM 349 C GLU A 26 1.119 -15.467 -5.584 1.00 0.00 C ATOM 350 O GLU A 26 1.102 -15.689 -6.795 1.00 0.00 O ATOM 351 CB GLU A 26 -0.346 -17.201 -4.531 1.00 0.00 C ATOM 352 CG GLU A 26 0.916 -17.960 -4.157 1.00 0.00 C ATOM 353 CD GLU A 26 1.216 -17.898 -2.672 1.00 0.00 C ATOM 354 OE1 GLU A 26 0.875 -16.876 -2.041 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.792 -18.871 -2.141 1.00 0.00 O ATOM 0 H GLU A 26 -2.082 -15.726 -5.478 1.00 0.00 H new ATOM 0 HA GLU A 26 0.034 -15.233 -3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.094 -17.349 -3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.755 -17.623 -5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.812 -19.002 -4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.760 -17.550 -4.712 1.00 0.00 H new ATOM 362 N LYS A 27 2.194 -15.016 -4.947 1.00 0.00 N ATOM 363 CA LYS A 27 3.445 -14.753 -5.648 1.00 0.00 C ATOM 364 C LYS A 27 3.226 -13.788 -6.808 1.00 0.00 C ATOM 365 O LYS A 27 3.696 -14.024 -7.921 1.00 0.00 O ATOM 366 CB LYS A 27 4.049 -16.061 -6.165 1.00 0.00 C ATOM 367 CG LYS A 27 4.688 -16.908 -5.078 1.00 0.00 C ATOM 368 CD LYS A 27 5.603 -17.970 -5.664 1.00 0.00 C ATOM 369 CE LYS A 27 7.018 -17.445 -5.849 1.00 0.00 C ATOM 370 NZ LYS A 27 7.769 -18.223 -6.873 1.00 0.00 N ATOM 0 H LYS A 27 2.224 -14.825 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 27 4.138 -14.294 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.269 -16.643 -6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.799 -15.831 -6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.257 -16.268 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.910 -17.385 -4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.619 -18.840 -5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.208 -18.302 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.981 -16.397 -6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.549 -17.489 -4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.729 -17.834 -6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.827 -19.219 -6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.276 -18.160 -7.787 1.00 0.00 H new ATOM 384 N GLN A 28 2.511 -12.700 -6.540 1.00 0.00 N ATOM 385 CA GLN A 28 2.231 -11.699 -7.563 1.00 0.00 C ATOM 386 C GLN A 28 2.768 -10.333 -7.150 1.00 0.00 C ATOM 387 O GLN A 28 2.709 -9.959 -5.978 1.00 0.00 O ATOM 388 CB GLN A 28 0.726 -11.611 -7.822 1.00 0.00 C ATOM 389 CG GLN A 28 0.358 -10.670 -8.958 1.00 0.00 C ATOM 390 CD GLN A 28 -1.043 -10.107 -8.818 1.00 0.00 C ATOM 391 OE1 GLN A 28 -1.424 -9.615 -7.756 1.00 0.00 O ATOM 392 NE2 GLN A 28 -1.818 -10.175 -9.894 1.00 0.00 N ATOM 0 H GLN A 28 2.115 -12.489 -5.624 1.00 0.00 H new ATOM 0 HA GLN A 28 2.734 -12.004 -8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.346 -12.607 -8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.228 -11.280 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.074 -9.849 -8.991 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.439 -11.202 -9.906 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.461 -10.591 -10.754 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.770 -9.811 -9.861 1.00 0.00 H new ATOM 401 N THR A 29 3.294 -9.591 -8.120 1.00 0.00 N ATOM 402 CA THR A 29 3.844 -8.267 -7.857 1.00 0.00 C ATOM 403 C THR A 29 2.777 -7.189 -8.008 1.00 0.00 C ATOM 404 O THR A 29 2.479 -6.749 -9.118 1.00 0.00 O ATOM 405 CB THR A 29 5.017 -7.948 -8.802 1.00 0.00 C ATOM 406 OG1 THR A 29 5.948 -9.037 -8.812 1.00 0.00 O ATOM 407 CG2 THR A 29 5.726 -6.673 -8.373 1.00 0.00 C ATOM 0 H THR A 29 3.351 -9.885 -9.095 1.00 0.00 H new ATOM 0 HA THR A 29 4.207 -8.274 -6.829 1.00 0.00 H new ATOM 0 HB THR A 29 4.617 -7.803 -9.806 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.690 -8.827 -9.417 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.551 -6.468 -9.055 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.022 -5.841 -8.394 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.114 -6.795 -7.362 1.00 0.00 H new ATOM 415 N ALA A 30 2.205 -6.767 -6.885 1.00 0.00 N ATOM 416 CA ALA A 30 1.173 -5.738 -6.893 1.00 0.00 C ATOM 417 C ALA A 30 1.746 -4.382 -6.494 1.00 0.00 C ATOM 418 O ALA A 30 2.220 -4.204 -5.372 1.00 0.00 O ATOM 419 CB ALA A 30 0.033 -6.126 -5.963 1.00 0.00 C ATOM 0 H ALA A 30 2.439 -7.122 -5.958 1.00 0.00 H new ATOM 0 HA ALA A 30 0.786 -5.655 -7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.730 -5.348 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.402 -7.069 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.414 -6.239 -4.948 1.00 0.00 H new ATOM 425 N SER A 31 1.701 -3.429 -7.419 1.00 0.00 N ATOM 426 CA SER A 31 2.220 -2.091 -7.165 1.00 0.00 C ATOM 427 C SER A 31 1.157 -1.033 -7.445 1.00 0.00 C ATOM 428 O SER A 31 0.264 -1.237 -8.268 1.00 0.00 O ATOM 429 CB SER A 31 3.457 -1.828 -8.026 1.00 0.00 C ATOM 430 OG SER A 31 3.116 -1.764 -9.401 1.00 0.00 O ATOM 0 H SER A 31 1.310 -3.559 -8.352 1.00 0.00 H new ATOM 0 HA SER A 31 2.499 -2.031 -6.113 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.925 -0.892 -7.720 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.190 -2.618 -7.866 1.00 0.00 H new ATOM 0 HG SER A 31 3.911 -1.530 -9.925 1.00 0.00 H new ATOM 436 N PHE A 32 1.259 0.097 -6.755 1.00 0.00 N ATOM 437 CA PHE A 32 0.307 1.188 -6.927 1.00 0.00 C ATOM 438 C PHE A 32 0.995 2.541 -6.772 1.00 0.00 C ATOM 439 O PHE A 32 2.135 2.622 -6.314 1.00 0.00 O ATOM 440 CB PHE A 32 -0.833 1.063 -5.914 1.00 0.00 C ATOM 441 CG PHE A 32 -0.381 0.611 -4.555 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.041 -0.692 -4.349 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.378 1.490 -3.484 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.459 -1.112 -3.100 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.039 1.076 -2.233 1.00 0.00 C ATOM 446 CZ PHE A 32 0.457 -0.226 -2.040 1.00 0.00 C ATOM 0 H PHE A 32 1.992 0.282 -6.070 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.103 1.123 -7.935 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.332 2.028 -5.820 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.572 0.358 -6.295 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.044 -1.389 -5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.705 2.509 -3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.786 -2.131 -2.953 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.038 1.771 -1.406 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.782 -0.551 -1.063 1.00 0.00 H new ATOM 456 N THR A 33 0.293 3.603 -7.157 1.00 0.00 N ATOM 457 CA THR A 33 0.835 4.952 -7.062 1.00 0.00 C ATOM 458 C THR A 33 0.149 5.744 -5.955 1.00 0.00 C ATOM 459 O THR A 33 -1.069 5.924 -5.970 1.00 0.00 O ATOM 460 CB THR A 33 0.683 5.714 -8.393 1.00 0.00 C ATOM 461 OG1 THR A 33 1.539 5.139 -9.387 1.00 0.00 O ATOM 462 CG2 THR A 33 1.020 7.186 -8.215 1.00 0.00 C ATOM 0 H THR A 33 -0.652 3.554 -7.537 1.00 0.00 H new ATOM 0 HA THR A 33 1.895 4.851 -6.829 1.00 0.00 H new ATOM 0 HB THR A 33 -0.355 5.632 -8.717 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.435 5.628 -10.230 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.906 7.703 -9.168 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.347 7.627 -7.480 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.049 7.284 -7.870 1.00 0.00 H new ATOM 470 N LEU A 34 0.938 6.216 -4.996 1.00 0.00 N ATOM 471 CA LEU A 34 0.406 6.990 -3.880 1.00 0.00 C ATOM 472 C LEU A 34 0.537 8.487 -4.144 1.00 0.00 C ATOM 473 O LEU A 34 1.643 9.027 -4.188 1.00 0.00 O ATOM 474 CB LEU A 34 1.135 6.624 -2.586 1.00 0.00 C ATOM 475 CG LEU A 34 0.967 7.600 -1.421 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.397 7.425 -0.770 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.077 7.407 -0.398 1.00 0.00 C ATOM 0 H LEU A 34 1.948 6.076 -4.969 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.652 6.749 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.790 5.642 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.199 6.531 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 34 1.033 8.616 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.498 8.128 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.178 7.615 -1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.493 6.406 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.941 8.110 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.044 6.388 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.043 7.585 -0.871 1.00 0.00 H new ATOM 489 N LEU A 35 -0.599 9.153 -4.319 1.00 0.00 N ATOM 490 CA LEU A 35 -0.613 10.589 -4.577 1.00 0.00 C ATOM 491 C LEU A 35 -0.513 11.377 -3.274 1.00 0.00 C ATOM 492 O LEU A 35 -1.114 11.006 -2.265 1.00 0.00 O ATOM 493 CB LEU A 35 -1.887 10.980 -5.327 1.00 0.00 C ATOM 494 CG LEU A 35 -2.176 10.201 -6.610 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.663 10.231 -6.929 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.369 10.765 -7.770 1.00 0.00 C ATOM 0 H LEU A 35 -1.523 8.722 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 35 0.252 10.831 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.734 10.857 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.828 12.040 -5.575 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.879 9.164 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.850 9.671 -7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.220 9.780 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.986 11.264 -7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.588 10.198 -8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.635 11.811 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.305 10.691 -7.543 1.00 0.00 H new ATOM 508 N CYS A 36 0.246 12.466 -3.305 1.00 0.00 N ATOM 509 CA CYS A 36 0.423 13.308 -2.127 1.00 0.00 C ATOM 510 C CYS A 36 -0.257 14.660 -2.318 1.00 0.00 C ATOM 511 O CYS A 36 0.106 15.430 -3.208 1.00 0.00 O ATOM 512 CB CYS A 36 1.911 13.509 -1.837 1.00 0.00 C ATOM 513 SG CYS A 36 2.808 11.978 -1.490 1.00 0.00 S ATOM 0 H CYS A 36 0.749 12.787 -4.132 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.041 12.805 -1.278 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.373 14.003 -2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.017 14.181 -0.985 1.00 0.00 H new ATOM 0 HG CYS A 36 3.641 12.175 -0.512 1.00 0.00 H new ATOM 519 N LYS A 37 -1.247 14.942 -1.478 1.00 0.00 N ATOM 520 CA LYS A 37 -1.980 16.201 -1.553 1.00 0.00 C ATOM 521 C LYS A 37 -1.789 17.018 -0.280 1.00 0.00 C ATOM 522 O LYS A 37 -1.264 16.520 0.716 1.00 0.00 O ATOM 523 CB LYS A 37 -3.469 15.935 -1.783 1.00 0.00 C ATOM 524 CG LYS A 37 -3.804 15.544 -3.212 1.00 0.00 C ATOM 525 CD LYS A 37 -3.733 14.039 -3.410 1.00 0.00 C ATOM 526 CE LYS A 37 -4.104 13.645 -4.831 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.564 13.791 -5.084 1.00 0.00 N ATOM 0 H LYS A 37 -1.561 14.315 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.586 16.773 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.795 15.140 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.034 16.828 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.804 15.898 -3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.112 16.035 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.725 13.689 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.405 13.547 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.550 14.264 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.806 12.612 -5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.789 13.433 -6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.095 13.247 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.829 14.795 -5.020 1.00 0.00 H new ATOM 541 N ASP A 38 -2.221 18.274 -0.318 1.00 0.00 N ATOM 542 CA ASP A 38 -2.100 19.160 0.834 1.00 0.00 C ATOM 543 C ASP A 38 -3.359 19.108 1.693 1.00 0.00 C ATOM 544 O ASP A 38 -4.281 18.342 1.416 1.00 0.00 O ATOM 545 CB ASP A 38 -1.838 20.596 0.375 1.00 0.00 C ATOM 546 CG ASP A 38 -0.641 20.699 -0.549 1.00 0.00 C ATOM 547 OD1 ASP A 38 0.501 20.693 -0.044 1.00 0.00 O ATOM 548 OD2 ASP A 38 -0.846 20.786 -1.777 1.00 0.00 O ATOM 0 H ASP A 38 -2.658 18.701 -1.134 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.257 18.821 1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.722 20.978 -0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.676 21.229 1.247 1.00 0.00 H new ATOM 553 N ALA A 39 -3.389 19.928 2.739 1.00 0.00 N ATOM 554 CA ALA A 39 -4.535 19.977 3.639 1.00 0.00 C ATOM 555 C ALA A 39 -5.794 20.420 2.901 1.00 0.00 C ATOM 556 O ALA A 39 -6.907 20.061 3.282 1.00 0.00 O ATOM 557 CB ALA A 39 -4.250 20.909 4.807 1.00 0.00 C ATOM 0 H ALA A 39 -2.633 20.567 2.984 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.706 18.972 4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.114 20.936 5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.381 20.548 5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.050 21.912 4.431 1.00 0.00 H new ATOM 563 N ALA A 40 -5.610 21.203 1.843 1.00 0.00 N ATOM 564 CA ALA A 40 -6.731 21.694 1.051 1.00 0.00 C ATOM 565 C ALA A 40 -7.145 20.674 -0.005 1.00 0.00 C ATOM 566 O ALA A 40 -7.950 20.971 -0.886 1.00 0.00 O ATOM 567 CB ALA A 40 -6.373 23.019 0.396 1.00 0.00 C ATOM 0 H ALA A 40 -4.695 21.511 1.514 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.577 21.849 1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.219 23.374 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.133 23.752 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.510 22.881 -0.256 1.00 0.00 H new ATOM 573 N GLY A 41 -6.589 19.470 0.091 1.00 0.00 N ATOM 574 CA GLY A 41 -6.912 18.426 -0.863 1.00 0.00 C ATOM 575 C GLY A 41 -6.511 18.789 -2.279 1.00 0.00 C ATOM 576 O GLY A 41 -7.175 18.397 -3.238 1.00 0.00 O ATOM 0 H GLY A 41 -5.921 19.199 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.409 17.504 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.983 18.228 -0.832 1.00 0.00 H new ATOM 580 N GLU A 42 -5.423 19.542 -2.410 1.00 0.00 N ATOM 581 CA GLU A 42 -4.938 19.960 -3.720 1.00 0.00 C ATOM 582 C GLU A 42 -3.555 19.377 -3.998 1.00 0.00 C ATOM 583 O GLU A 42 -2.836 18.989 -3.077 1.00 0.00 O ATOM 584 CB GLU A 42 -4.887 21.487 -3.806 1.00 0.00 C ATOM 585 CG GLU A 42 -3.779 22.107 -2.972 1.00 0.00 C ATOM 586 CD GLU A 42 -4.027 23.572 -2.670 1.00 0.00 C ATOM 587 OE1 GLU A 42 -5.198 24.001 -2.728 1.00 0.00 O ATOM 588 OE2 GLU A 42 -3.048 24.290 -2.374 1.00 0.00 O ATOM 0 H GLU A 42 -4.862 19.875 -1.626 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.630 19.584 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.753 21.780 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.845 21.893 -3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.684 21.558 -2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.831 22.004 -3.500 1.00 0.00 H new ATOM 595 N ILE A 43 -3.189 19.320 -5.274 1.00 0.00 N ATOM 596 CA ILE A 43 -1.893 18.786 -5.674 1.00 0.00 C ATOM 597 C ILE A 43 -0.758 19.693 -5.211 1.00 0.00 C ATOM 598 O ILE A 43 -0.815 20.911 -5.379 1.00 0.00 O ATOM 599 CB ILE A 43 -1.804 18.611 -7.202 1.00 0.00 C ATOM 600 CG1 ILE A 43 -2.946 17.725 -7.703 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.457 18.018 -7.589 1.00 0.00 C ATOM 602 CD1 ILE A 43 -2.870 16.300 -7.203 1.00 0.00 C ATOM 0 H ILE A 43 -3.772 19.637 -6.049 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.793 17.811 -5.198 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.897 19.590 -7.672 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.896 18.160 -7.392 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.939 17.720 -8.793 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.409 17.900 -8.672 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.341 18.683 -7.261 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.337 17.045 -7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.711 15.730 -7.598 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.936 15.847 -7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.908 16.294 -6.114 1.00 0.00 H new ATOM 614 N MET A 44 0.272 19.090 -4.627 1.00 0.00 N ATOM 615 CA MET A 44 1.423 19.843 -4.141 1.00 0.00 C ATOM 616 C MET A 44 2.596 19.727 -5.109 1.00 0.00 C ATOM 617 O MET A 44 3.400 20.649 -5.238 1.00 0.00 O ATOM 618 CB MET A 44 1.838 19.345 -2.756 1.00 0.00 C ATOM 619 CG MET A 44 2.229 17.877 -2.730 1.00 0.00 C ATOM 620 SD MET A 44 2.015 17.129 -1.104 1.00 0.00 S ATOM 621 CE MET A 44 3.039 18.202 -0.100 1.00 0.00 C ATOM 0 H MET A 44 0.334 18.083 -4.479 1.00 0.00 H new ATOM 0 HA MET A 44 1.136 20.892 -4.070 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.678 19.942 -2.401 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.015 19.506 -2.060 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.628 17.332 -3.458 1.00 0.00 H new ATOM 0 HG3 MET A 44 3.270 17.777 -3.037 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.839 17.619 0.356 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.470 18.983 -0.726 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.431 18.657 0.682 1.00 0.00 H new ATOM 631 N GLY A 45 2.688 18.587 -5.787 1.00 0.00 N ATOM 632 CA GLY A 45 3.767 18.371 -6.733 1.00 0.00 C ATOM 633 C GLY A 45 5.133 18.602 -6.118 1.00 0.00 C ATOM 634 O GLY A 45 5.918 19.408 -6.618 1.00 0.00 O ATOM 0 H GLY A 45 2.034 17.809 -5.698 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.712 17.352 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.638 19.039 -7.585 1.00 0.00 H new ATOM 638 N ARG A 46 5.417 17.895 -5.029 1.00 0.00 N ATOM 639 CA ARG A 46 6.696 18.030 -4.343 1.00 0.00 C ATOM 640 C ARG A 46 6.993 16.793 -3.500 1.00 0.00 C ATOM 641 O ARG A 46 6.080 16.108 -3.041 1.00 0.00 O ATOM 642 CB ARG A 46 6.696 19.277 -3.457 1.00 0.00 C ATOM 643 CG ARG A 46 5.905 19.108 -2.170 1.00 0.00 C ATOM 644 CD ARG A 46 6.709 18.363 -1.116 1.00 0.00 C ATOM 645 NE ARG A 46 6.351 18.774 0.239 1.00 0.00 N ATOM 646 CZ ARG A 46 6.647 19.965 0.747 1.00 0.00 C ATOM 647 NH1 ARG A 46 7.302 20.857 0.017 1.00 0.00 N ATOM 648 NH2 ARG A 46 6.287 20.266 1.988 1.00 0.00 N ATOM 0 H ARG A 46 4.779 17.223 -4.603 1.00 0.00 H new ATOM 0 HA ARG A 46 7.476 18.130 -5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.725 19.537 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.283 20.113 -4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.619 20.087 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.983 18.565 -2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.544 17.291 -1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.772 18.540 -1.279 1.00 0.00 H new ATOM 0 HE ARG A 46 5.846 18.111 0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.580 20.630 -0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.528 21.771 0.410 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.783 19.583 2.553 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.515 21.181 2.377 1.00 0.00 H new ATOM 662 N GLY A 47 8.278 16.514 -3.300 1.00 0.00 N ATOM 663 CA GLY A 47 8.673 15.360 -2.513 1.00 0.00 C ATOM 664 C GLY A 47 9.128 15.738 -1.118 1.00 0.00 C ATOM 665 O GLY A 47 10.017 16.572 -0.952 1.00 0.00 O ATOM 0 H GLY A 47 9.052 17.066 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.834 14.667 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.479 14.834 -3.025 1.00 0.00 H new ATOM 669 N GLY A 48 8.515 15.125 -0.110 1.00 0.00 N ATOM 670 CA GLY A 48 8.874 15.417 1.266 1.00 0.00 C ATOM 671 C GLY A 48 7.942 14.756 2.262 1.00 0.00 C ATOM 672 O GLY A 48 7.565 15.361 3.265 1.00 0.00 O ATOM 0 H GLY A 48 7.776 14.431 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.895 15.082 1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.860 16.496 1.421 1.00 0.00 H new ATOM 676 N ASP A 49 7.568 13.512 1.983 1.00 0.00 N ATOM 677 CA ASP A 49 6.673 12.768 2.862 1.00 0.00 C ATOM 678 C ASP A 49 7.229 11.378 3.154 1.00 0.00 C ATOM 679 O ASP A 49 7.867 10.762 2.301 1.00 0.00 O ATOM 680 CB ASP A 49 5.284 12.654 2.233 1.00 0.00 C ATOM 681 CG ASP A 49 4.886 13.906 1.477 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.387 14.994 1.827 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.071 13.798 0.536 1.00 0.00 O ATOM 0 H ASP A 49 7.870 12.998 1.156 1.00 0.00 H new ATOM 0 HA ASP A 49 6.593 13.312 3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.265 11.802 1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.550 12.456 3.014 1.00 0.00 H new ATOM 688 N ASN A 50 6.984 10.890 4.366 1.00 0.00 N ATOM 689 CA ASN A 50 7.462 9.573 4.771 1.00 0.00 C ATOM 690 C ASN A 50 6.383 8.515 4.561 1.00 0.00 C ATOM 691 O ASN A 50 5.346 8.530 5.225 1.00 0.00 O ATOM 692 CB ASN A 50 7.895 9.593 6.238 1.00 0.00 C ATOM 693 CG ASN A 50 9.332 10.043 6.411 1.00 0.00 C ATOM 694 OD1 ASN A 50 10.237 9.538 5.746 1.00 0.00 O ATOM 695 ND2 ASN A 50 9.550 10.999 7.307 1.00 0.00 N ATOM 0 H ASN A 50 6.457 11.387 5.085 1.00 0.00 H new ATOM 0 HA ASN A 50 8.321 9.319 4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.239 10.259 6.798 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.776 8.596 6.663 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.497 11.343 7.466 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.770 11.389 7.836 1.00 0.00 H new ATOM 702 N VAL A 51 6.635 7.596 3.634 1.00 0.00 N ATOM 703 CA VAL A 51 5.687 6.529 3.338 1.00 0.00 C ATOM 704 C VAL A 51 6.078 5.235 4.044 1.00 0.00 C ATOM 705 O VAL A 51 7.217 4.781 3.940 1.00 0.00 O ATOM 706 CB VAL A 51 5.592 6.267 1.824 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.620 5.132 1.538 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.177 7.532 1.089 1.00 0.00 C ATOM 0 H VAL A 51 7.488 7.569 3.075 1.00 0.00 H new ATOM 0 HA VAL A 51 4.715 6.859 3.703 1.00 0.00 H new ATOM 0 HB VAL A 51 6.577 5.970 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.566 4.961 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.965 4.224 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.631 5.396 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.115 7.328 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.204 7.861 1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.915 8.315 1.267 1.00 0.00 H new ATOM 718 N GLN A 52 5.125 4.647 4.760 1.00 0.00 N ATOM 719 CA GLN A 52 5.371 3.404 5.483 1.00 0.00 C ATOM 720 C GLN A 52 4.426 2.304 5.011 1.00 0.00 C ATOM 721 O GLN A 52 3.213 2.388 5.204 1.00 0.00 O ATOM 722 CB GLN A 52 5.206 3.624 6.987 1.00 0.00 C ATOM 723 CG GLN A 52 6.347 4.406 7.617 1.00 0.00 C ATOM 724 CD GLN A 52 6.566 4.048 9.073 1.00 0.00 C ATOM 725 OE1 GLN A 52 6.141 4.772 9.974 1.00 0.00 O ATOM 726 NE2 GLN A 52 7.234 2.926 9.313 1.00 0.00 N ATOM 0 H GLN A 52 4.177 5.010 4.855 1.00 0.00 H new ATOM 0 HA GLN A 52 6.395 3.090 5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.271 4.154 7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.124 2.656 7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.264 4.217 7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.139 5.473 7.537 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.568 2.356 8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.413 2.634 10.274 1.00 0.00 H new ATOM 735 N VAL A 53 4.990 1.272 4.390 1.00 0.00 N ATOM 736 CA VAL A 53 4.198 0.155 3.891 1.00 0.00 C ATOM 737 C VAL A 53 4.595 -1.149 4.575 1.00 0.00 C ATOM 738 O VAL A 53 5.748 -1.573 4.504 1.00 0.00 O ATOM 739 CB VAL A 53 4.356 -0.009 2.367 1.00 0.00 C ATOM 740 CG1 VAL A 53 3.543 -1.195 1.870 1.00 0.00 C ATOM 741 CG2 VAL A 53 3.945 1.268 1.650 1.00 0.00 C ATOM 0 H VAL A 53 5.992 1.187 4.221 1.00 0.00 H new ATOM 0 HA VAL A 53 3.156 0.379 4.119 1.00 0.00 H new ATOM 0 HB VAL A 53 5.406 -0.202 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.667 -1.295 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.889 -2.105 2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.490 -1.036 2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.063 1.135 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.903 1.493 1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.575 2.092 1.985 1.00 0.00 H new ATOM 751 N ALA A 54 3.631 -1.781 5.236 1.00 0.00 N ATOM 752 CA ALA A 54 3.879 -3.038 5.931 1.00 0.00 C ATOM 753 C ALA A 54 2.724 -4.013 5.731 1.00 0.00 C ATOM 754 O ALA A 54 1.596 -3.749 6.147 1.00 0.00 O ATOM 755 CB ALA A 54 4.108 -2.785 7.414 1.00 0.00 C ATOM 0 H ALA A 54 2.671 -1.443 5.305 1.00 0.00 H new ATOM 0 HA ALA A 54 4.777 -3.488 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.292 -3.732 7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.971 -2.131 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.226 -2.310 7.843 1.00 0.00 H new ATOM 761 N VAL A 55 3.013 -5.141 5.089 1.00 0.00 N ATOM 762 CA VAL A 55 1.998 -6.156 4.833 1.00 0.00 C ATOM 763 C VAL A 55 2.137 -7.327 5.800 1.00 0.00 C ATOM 764 O VAL A 55 3.237 -7.829 6.031 1.00 0.00 O ATOM 765 CB VAL A 55 2.083 -6.684 3.389 1.00 0.00 C ATOM 766 CG1 VAL A 55 1.179 -7.893 3.208 1.00 0.00 C ATOM 767 CG2 VAL A 55 1.724 -5.586 2.399 1.00 0.00 C ATOM 0 H VAL A 55 3.941 -5.375 4.737 1.00 0.00 H new ATOM 0 HA VAL A 55 1.029 -5.679 4.980 1.00 0.00 H new ATOM 0 HB VAL A 55 3.109 -6.996 3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.253 -8.252 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.488 -8.684 3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.148 -7.611 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.789 -5.976 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.708 -5.241 2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.417 -4.753 2.513 1.00 0.00 H new ATOM 777 N VAL A 56 1.013 -7.760 6.362 1.00 0.00 N ATOM 778 CA VAL A 56 1.008 -8.873 7.303 1.00 0.00 C ATOM 779 C VAL A 56 -0.260 -9.708 7.160 1.00 0.00 C ATOM 780 O VAL A 56 -1.378 -9.193 7.178 1.00 0.00 O ATOM 781 CB VAL A 56 1.122 -8.380 8.758 1.00 0.00 C ATOM 782 CG1 VAL A 56 1.381 -9.547 9.698 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.219 -7.333 8.880 1.00 0.00 C ATOM 0 H VAL A 56 0.094 -7.356 6.182 1.00 0.00 H new ATOM 0 HA VAL A 56 1.875 -9.490 7.067 1.00 0.00 H new ATOM 0 HB VAL A 56 0.177 -7.918 9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.459 -9.180 10.721 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.558 -10.259 9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.312 -10.040 9.418 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.286 -6.995 9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.172 -7.767 8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.986 -6.485 8.236 1.00 0.00 H new ATOM 793 N PRO A 57 -0.084 -11.030 7.013 1.00 0.00 N ATOM 794 CA PRO A 57 -1.203 -11.965 6.865 1.00 0.00 C ATOM 795 C PRO A 57 -2.008 -12.116 8.151 1.00 0.00 C ATOM 796 O PRO A 57 -1.449 -12.365 9.220 1.00 0.00 O ATOM 797 CB PRO A 57 -0.517 -13.286 6.506 1.00 0.00 C ATOM 798 CG PRO A 57 0.853 -13.168 7.080 1.00 0.00 C ATOM 799 CD PRO A 57 1.220 -11.713 6.982 1.00 0.00 C ATOM 0 HA PRO A 57 -1.921 -11.625 6.119 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.051 -14.137 6.928 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.483 -13.434 5.427 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.872 -13.506 8.116 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.561 -13.787 6.529 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.856 -11.402 7.811 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.765 -11.497 6.063 1.00 0.00 H new ATOM 807 N LYS A 58 -3.323 -11.963 8.042 1.00 0.00 N ATOM 808 CA LYS A 58 -4.206 -12.083 9.196 1.00 0.00 C ATOM 809 C LYS A 58 -4.077 -13.461 9.839 1.00 0.00 C ATOM 810 O LYS A 58 -4.368 -13.634 11.022 1.00 0.00 O ATOM 811 CB LYS A 58 -5.658 -11.836 8.781 1.00 0.00 C ATOM 812 CG LYS A 58 -6.513 -11.238 9.885 1.00 0.00 C ATOM 813 CD LYS A 58 -7.961 -11.089 9.450 1.00 0.00 C ATOM 814 CE LYS A 58 -8.644 -9.937 10.172 1.00 0.00 C ATOM 815 NZ LYS A 58 -10.128 -10.046 10.110 1.00 0.00 N ATOM 0 H LYS A 58 -3.801 -11.755 7.165 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.911 -11.331 9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.672 -11.168 7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.101 -12.779 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.461 -11.872 10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.115 -10.263 10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.003 -10.922 8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.499 -12.015 9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.324 -9.921 11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.330 -8.993 9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.556 -9.243 10.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.436 -10.036 9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.430 -10.935 10.557 1.00 0.00 H new ATOM 829 N ASP A 59 -3.639 -14.437 9.052 1.00 0.00 N ATOM 830 CA ASP A 59 -3.469 -15.799 9.545 1.00 0.00 C ATOM 831 C ASP A 59 -2.189 -15.923 10.366 1.00 0.00 C ATOM 832 O ASP A 59 -2.223 -16.313 11.534 1.00 0.00 O ATOM 833 CB ASP A 59 -3.438 -16.786 8.377 1.00 0.00 C ATOM 834 CG ASP A 59 -4.827 -17.212 7.943 1.00 0.00 C ATOM 835 OD1 ASP A 59 -5.786 -16.454 8.197 1.00 0.00 O ATOM 836 OD2 ASP A 59 -4.955 -18.305 7.351 1.00 0.00 O ATOM 0 H ASP A 59 -3.395 -14.311 8.070 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.317 -16.036 10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.921 -16.330 7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.864 -17.667 8.664 1.00 0.00 H new ATOM 841 N LYS A 60 -1.061 -15.592 9.748 1.00 0.00 N ATOM 842 CA LYS A 60 0.231 -15.666 10.420 1.00 0.00 C ATOM 843 C LYS A 60 0.590 -14.328 11.058 1.00 0.00 C ATOM 844 O LYS A 60 0.511 -13.281 10.415 1.00 0.00 O ATOM 845 CB LYS A 60 1.322 -16.080 9.430 1.00 0.00 C ATOM 846 CG LYS A 60 0.958 -17.298 8.599 1.00 0.00 C ATOM 847 CD LYS A 60 1.360 -18.588 9.293 1.00 0.00 C ATOM 848 CE LYS A 60 0.237 -19.123 10.169 1.00 0.00 C ATOM 849 NZ LYS A 60 -0.748 -19.917 9.384 1.00 0.00 N ATOM 0 H LYS A 60 -1.015 -15.269 8.781 1.00 0.00 H new ATOM 0 HA LYS A 60 0.160 -16.417 11.207 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.531 -15.244 8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.240 -16.287 9.980 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.116 -17.304 8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.450 -17.237 7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.628 -19.336 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.247 -18.414 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.658 -19.745 10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.272 -18.291 10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.497 -20.264 10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.168 -19.317 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.267 -20.726 8.941 1.00 0.00 H new ATOM 863 N LYS A 61 0.986 -14.369 12.326 1.00 0.00 N ATOM 864 CA LYS A 61 1.361 -13.160 13.050 1.00 0.00 C ATOM 865 C LYS A 61 2.853 -12.880 12.907 1.00 0.00 C ATOM 866 O LYS A 61 3.319 -11.780 13.205 1.00 0.00 O ATOM 867 CB LYS A 61 0.996 -13.295 14.531 1.00 0.00 C ATOM 868 CG LYS A 61 1.736 -14.416 15.240 1.00 0.00 C ATOM 869 CD LYS A 61 1.012 -14.850 16.503 1.00 0.00 C ATOM 870 CE LYS A 61 -0.177 -15.744 16.186 1.00 0.00 C ATOM 871 NZ LYS A 61 -1.143 -15.804 17.318 1.00 0.00 N ATOM 0 H LYS A 61 1.055 -15.227 12.874 1.00 0.00 H new ATOM 0 HA LYS A 61 0.810 -12.323 12.620 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.210 -12.353 15.037 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.077 -13.467 14.618 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.839 -15.268 14.568 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.744 -14.086 15.492 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.704 -15.382 17.156 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.671 -13.970 17.049 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.684 -15.372 15.295 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.176 -16.749 15.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.939 -16.423 17.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.666 -16.183 18.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.499 -14.848 17.521 1.00 0.00 H new ATOM 885 N ASP A 62 3.597 -13.881 12.448 1.00 0.00 N ATOM 886 CA ASP A 62 5.036 -13.741 12.263 1.00 0.00 C ATOM 887 C ASP A 62 5.388 -13.663 10.781 1.00 0.00 C ATOM 888 O ASP A 62 5.886 -12.643 10.304 1.00 0.00 O ATOM 889 CB ASP A 62 5.772 -14.914 12.913 1.00 0.00 C ATOM 890 CG ASP A 62 7.217 -14.585 13.232 1.00 0.00 C ATOM 891 OD1 ASP A 62 8.000 -14.367 12.283 1.00 0.00 O ATOM 892 OD2 ASP A 62 7.566 -14.546 14.430 1.00 0.00 O ATOM 0 H ASP A 62 3.227 -14.798 12.197 1.00 0.00 H new ATOM 0 HA ASP A 62 5.350 -12.814 12.742 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.256 -15.200 13.830 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.737 -15.776 12.246 1.00 0.00 H new ATOM 897 N SER A 63 5.127 -14.747 10.057 1.00 0.00 N ATOM 898 CA SER A 63 5.420 -14.803 8.630 1.00 0.00 C ATOM 899 C SER A 63 5.215 -13.438 7.979 1.00 0.00 C ATOM 900 O SER A 63 4.101 -13.053 7.624 1.00 0.00 O ATOM 901 CB SER A 63 4.534 -15.845 7.946 1.00 0.00 C ATOM 902 OG SER A 63 5.148 -17.123 7.958 1.00 0.00 O ATOM 0 H SER A 63 4.713 -15.599 10.436 1.00 0.00 H new ATOM 0 HA SER A 63 6.465 -15.090 8.510 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.570 -15.896 8.452 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.338 -15.542 6.918 1.00 0.00 H new ATOM 0 HG SER A 63 4.561 -17.772 7.517 1.00 0.00 H new ATOM 908 N PRO A 64 6.315 -12.688 7.819 1.00 0.00 N ATOM 909 CA PRO A 64 6.283 -11.355 7.210 1.00 0.00 C ATOM 910 C PRO A 64 5.982 -11.407 5.716 1.00 0.00 C ATOM 911 O PRO A 64 5.708 -12.473 5.164 1.00 0.00 O ATOM 912 CB PRO A 64 7.697 -10.820 7.452 1.00 0.00 C ATOM 913 CG PRO A 64 8.546 -12.038 7.578 1.00 0.00 C ATOM 914 CD PRO A 64 7.676 -13.084 8.219 1.00 0.00 C ATOM 0 HA PRO A 64 5.498 -10.731 7.637 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.029 -10.190 6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.741 -10.212 8.355 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.900 -12.370 6.602 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.428 -11.838 8.186 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.924 -14.085 7.865 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.790 -13.092 9.303 1.00 0.00 H new ATOM 922 N VAL A 65 6.034 -10.249 5.065 1.00 0.00 N ATOM 923 CA VAL A 65 5.768 -10.163 3.634 1.00 0.00 C ATOM 924 C VAL A 65 6.779 -9.258 2.941 1.00 0.00 C ATOM 925 O VAL A 65 7.133 -8.197 3.456 1.00 0.00 O ATOM 926 CB VAL A 65 4.348 -9.635 3.358 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.191 -9.267 1.891 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.307 -10.665 3.772 1.00 0.00 C ATOM 0 H VAL A 65 6.258 -9.357 5.506 1.00 0.00 H new ATOM 0 HA VAL A 65 5.856 -11.173 3.234 1.00 0.00 H new ATOM 0 HB VAL A 65 4.192 -8.735 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.181 -8.896 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.913 -8.493 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.366 -10.148 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.309 -10.275 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.459 -11.584 3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.406 -10.874 4.837 1.00 0.00 H new ATOM 938 N ARG A 66 7.241 -9.683 1.769 1.00 0.00 N ATOM 939 CA ARG A 66 8.212 -8.910 1.005 1.00 0.00 C ATOM 940 C ARG A 66 7.591 -7.617 0.485 1.00 0.00 C ATOM 941 O ARG A 66 6.643 -7.643 -0.301 1.00 0.00 O ATOM 942 CB ARG A 66 8.747 -9.738 -0.165 1.00 0.00 C ATOM 943 CG ARG A 66 9.691 -10.852 0.258 1.00 0.00 C ATOM 944 CD ARG A 66 10.146 -11.679 -0.934 1.00 0.00 C ATOM 945 NE ARG A 66 10.459 -13.055 -0.558 1.00 0.00 N ATOM 946 CZ ARG A 66 10.452 -14.071 -1.414 1.00 0.00 C ATOM 947 NH1 ARG A 66 10.150 -13.866 -2.688 1.00 0.00 N ATOM 948 NH2 ARG A 66 10.748 -15.295 -0.995 1.00 0.00 N ATOM 0 H ARG A 66 6.958 -10.558 1.328 1.00 0.00 H new ATOM 0 HA ARG A 66 9.038 -8.654 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.906 -10.172 -0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.266 -9.077 -0.859 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.560 -10.424 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.193 -11.498 0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.365 -11.680 -1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.026 -11.216 -1.382 1.00 0.00 H new ATOM 0 HE ARG A 66 10.696 -13.247 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.922 -12.926 -3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.145 -14.648 -3.343 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.981 -15.456 -0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.742 -16.075 -1.653 1.00 0.00 H new ATOM 962 N THR A 67 8.131 -6.487 0.929 1.00 0.00 N ATOM 963 CA THR A 67 7.629 -5.184 0.510 1.00 0.00 C ATOM 964 C THR A 67 8.760 -4.297 0.001 1.00 0.00 C ATOM 965 O THR A 67 9.898 -4.405 0.456 1.00 0.00 O ATOM 966 CB THR A 67 6.906 -4.463 1.664 1.00 0.00 C ATOM 967 OG1 THR A 67 7.667 -4.584 2.871 1.00 0.00 O ATOM 968 CG2 THR A 67 5.515 -5.042 1.876 1.00 0.00 C ATOM 0 H THR A 67 8.916 -6.447 1.579 1.00 0.00 H new ATOM 0 HA THR A 67 6.920 -5.363 -0.298 1.00 0.00 H new ATOM 0 HB THR A 67 6.808 -3.410 1.401 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.201 -4.122 3.599 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.024 -4.518 2.696 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.928 -4.922 0.965 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.595 -6.101 2.119 1.00 0.00 H new ATOM 976 N MET A 68 8.437 -3.420 -0.944 1.00 0.00 N ATOM 977 CA MET A 68 9.427 -2.512 -1.513 1.00 0.00 C ATOM 978 C MET A 68 8.832 -1.124 -1.728 1.00 0.00 C ATOM 979 O MET A 68 7.753 -0.984 -2.305 1.00 0.00 O ATOM 980 CB MET A 68 9.955 -3.065 -2.838 1.00 0.00 C ATOM 981 CG MET A 68 11.381 -2.641 -3.148 1.00 0.00 C ATOM 982 SD MET A 68 11.492 -0.928 -3.700 1.00 0.00 S ATOM 983 CE MET A 68 12.577 -1.097 -5.115 1.00 0.00 C ATOM 0 H MET A 68 7.499 -3.319 -1.332 1.00 0.00 H new ATOM 0 HA MET A 68 10.254 -2.427 -0.808 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.906 -4.154 -2.813 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.302 -2.734 -3.646 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.997 -2.772 -2.258 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.791 -3.294 -3.918 1.00 0.00 H new ATOM 0 HE1 MET A 68 13.065 -0.143 -5.315 1.00 0.00 H new ATOM 0 HE2 MET A 68 13.333 -1.854 -4.906 1.00 0.00 H new ATOM 0 HE3 MET A 68 11.995 -1.397 -5.986 1.00 0.00 H new ATOM 993 N VAL A 69 9.540 -0.102 -1.260 1.00 0.00 N ATOM 994 CA VAL A 69 9.082 1.275 -1.403 1.00 0.00 C ATOM 995 C VAL A 69 10.085 2.109 -2.191 1.00 0.00 C ATOM 996 O VAL A 69 11.234 2.267 -1.780 1.00 0.00 O ATOM 997 CB VAL A 69 8.849 1.934 -0.030 1.00 0.00 C ATOM 998 CG1 VAL A 69 10.141 1.969 0.772 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.280 3.334 -0.202 1.00 0.00 C ATOM 0 H VAL A 69 10.434 -0.201 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 69 8.138 1.240 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 69 8.124 1.337 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.957 2.438 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.502 0.952 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.892 2.542 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.121 3.785 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.980 3.944 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.330 3.278 -0.734 1.00 0.00 H new ATOM 1009 N GLN A 70 9.642 2.642 -3.325 1.00 0.00 N ATOM 1010 CA GLN A 70 10.502 3.461 -4.172 1.00 0.00 C ATOM 1011 C GLN A 70 10.189 4.943 -3.994 1.00 0.00 C ATOM 1012 O GLN A 70 9.093 5.399 -4.320 1.00 0.00 O ATOM 1013 CB GLN A 70 10.335 3.065 -5.640 1.00 0.00 C ATOM 1014 CG GLN A 70 11.284 1.964 -6.084 1.00 0.00 C ATOM 1015 CD GLN A 70 11.582 2.015 -7.570 1.00 0.00 C ATOM 1016 OE1 GLN A 70 11.908 3.070 -8.114 1.00 0.00 O ATOM 1017 NE2 GLN A 70 11.471 0.871 -8.236 1.00 0.00 N ATOM 0 H GLN A 70 8.693 2.522 -3.679 1.00 0.00 H new ATOM 0 HA GLN A 70 11.536 3.288 -3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.309 2.737 -5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.493 3.944 -6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.217 2.047 -5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.851 0.995 -5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.198 0.020 -7.745 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.659 0.844 -9.238 1.00 0.00 H new ATOM 1026 N ASP A 71 11.157 5.689 -3.474 1.00 0.00 N ATOM 1027 CA ASP A 71 10.985 7.120 -3.254 1.00 0.00 C ATOM 1028 C ASP A 71 11.448 7.917 -4.470 1.00 0.00 C ATOM 1029 O ASP A 71 12.646 8.059 -4.712 1.00 0.00 O ATOM 1030 CB ASP A 71 11.762 7.563 -2.013 1.00 0.00 C ATOM 1031 CG ASP A 71 13.112 6.884 -1.901 1.00 0.00 C ATOM 1032 OD1 ASP A 71 13.181 5.798 -1.289 1.00 0.00 O ATOM 1033 OD2 ASP A 71 14.101 7.439 -2.426 1.00 0.00 O ATOM 0 H ASP A 71 12.069 5.326 -3.197 1.00 0.00 H new ATOM 0 HA ASP A 71 9.924 7.314 -3.098 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.904 8.643 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.173 7.344 -1.122 1.00 0.00 H new ATOM 1038 N ASN A 72 10.490 8.433 -5.232 1.00 0.00 N ATOM 1039 CA ASN A 72 10.799 9.214 -6.424 1.00 0.00 C ATOM 1040 C ASN A 72 10.812 10.707 -6.108 1.00 0.00 C ATOM 1041 O ASN A 72 11.371 11.507 -6.858 1.00 0.00 O ATOM 1042 CB ASN A 72 9.780 8.924 -7.528 1.00 0.00 C ATOM 1043 CG ASN A 72 10.118 7.670 -8.311 1.00 0.00 C ATOM 1044 OD1 ASN A 72 11.189 7.567 -8.909 1.00 0.00 O ATOM 1045 ND2 ASN A 72 9.202 6.708 -8.311 1.00 0.00 N ATOM 0 H ASN A 72 9.493 8.325 -5.046 1.00 0.00 H new ATOM 0 HA ASN A 72 11.791 8.925 -6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.790 8.817 -7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.735 9.774 -8.209 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.373 5.841 -8.821 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.328 6.836 -7.801 1.00 0.00 H new ATOM 1052 N LYS A 73 10.192 11.075 -4.992 1.00 0.00 N ATOM 1053 CA LYS A 73 10.132 12.471 -4.574 1.00 0.00 C ATOM 1054 C LYS A 73 9.729 13.371 -5.738 1.00 0.00 C ATOM 1055 O LYS A 73 10.285 14.454 -5.919 1.00 0.00 O ATOM 1056 CB LYS A 73 11.486 12.916 -4.017 1.00 0.00 C ATOM 1057 CG LYS A 73 12.011 12.021 -2.907 1.00 0.00 C ATOM 1058 CD LYS A 73 11.303 12.294 -1.590 1.00 0.00 C ATOM 1059 CE LYS A 73 11.882 13.513 -0.888 1.00 0.00 C ATOM 1060 NZ LYS A 73 11.635 13.478 0.580 1.00 0.00 N ATOM 0 H LYS A 73 9.724 10.426 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 73 9.377 12.558 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.213 12.939 -4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.397 13.935 -3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.874 10.976 -3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.082 12.181 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.240 12.449 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.391 11.423 -0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.955 13.564 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.442 14.417 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.891 14.396 0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.629 13.285 0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.213 12.729 1.011 1.00 0.00 H new ATOM 1074 N ASP A 74 8.760 12.916 -6.524 1.00 0.00 N ATOM 1075 CA ASP A 74 8.281 13.681 -7.669 1.00 0.00 C ATOM 1076 C ASP A 74 6.773 13.899 -7.585 1.00 0.00 C ATOM 1077 O ASP A 74 6.105 14.087 -8.600 1.00 0.00 O ATOM 1078 CB ASP A 74 8.632 12.963 -8.973 1.00 0.00 C ATOM 1079 CG ASP A 74 8.440 13.846 -10.190 1.00 0.00 C ATOM 1080 OD1 ASP A 74 7.321 13.856 -10.744 1.00 0.00 O ATOM 1081 OD2 ASP A 74 9.409 14.526 -10.589 1.00 0.00 O ATOM 0 H ASP A 74 8.290 12.021 -6.389 1.00 0.00 H new ATOM 0 HA ASP A 74 8.773 14.654 -7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.668 12.627 -8.932 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.011 12.072 -9.072 1.00 0.00 H new ATOM 1086 N GLY A 75 6.243 13.871 -6.365 1.00 0.00 N ATOM 1087 CA GLY A 75 4.818 14.066 -6.171 1.00 0.00 C ATOM 1088 C GLY A 75 4.080 12.761 -5.945 1.00 0.00 C ATOM 1089 O GLY A 75 3.073 12.723 -5.239 1.00 0.00 O ATOM 0 H GLY A 75 6.775 13.717 -5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.657 14.723 -5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.401 14.569 -7.043 1.00 0.00 H new ATOM 1093 N THR A 76 4.581 11.687 -6.549 1.00 0.00 N ATOM 1094 CA THR A 76 3.962 10.375 -6.413 1.00 0.00 C ATOM 1095 C THR A 76 4.985 9.324 -5.998 1.00 0.00 C ATOM 1096 O THR A 76 6.168 9.434 -6.322 1.00 0.00 O ATOM 1097 CB THR A 76 3.291 9.932 -7.726 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.243 9.957 -8.796 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.116 10.837 -8.066 1.00 0.00 C ATOM 0 H THR A 76 5.414 11.701 -7.137 1.00 0.00 H new ATOM 0 HA THR A 76 3.202 10.463 -5.637 1.00 0.00 H new ATOM 0 HB THR A 76 2.920 8.916 -7.593 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.809 9.672 -9.627 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.658 10.504 -8.998 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.379 10.794 -7.264 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.468 11.862 -8.181 1.00 0.00 H new ATOM 1107 N TYR A 77 4.523 8.306 -5.282 1.00 0.00 N ATOM 1108 CA TYR A 77 5.399 7.235 -4.822 1.00 0.00 C ATOM 1109 C TYR A 77 5.088 5.928 -5.544 1.00 0.00 C ATOM 1110 O TYR A 77 3.986 5.738 -6.061 1.00 0.00 O ATOM 1111 CB TYR A 77 5.255 7.043 -3.312 1.00 0.00 C ATOM 1112 CG TYR A 77 5.993 8.080 -2.496 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.461 9.350 -2.307 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.222 7.792 -1.915 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.132 10.302 -1.563 1.00 0.00 C ATOM 1116 CE2 TYR A 77 7.899 8.737 -1.169 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.350 9.990 -0.996 1.00 0.00 C ATOM 1118 OH TYR A 77 8.022 10.935 -0.254 1.00 0.00 O ATOM 0 H TYR A 77 3.547 8.199 -5.007 1.00 0.00 H new ATOM 0 HA TYR A 77 6.427 7.519 -5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.197 7.072 -3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.623 6.053 -3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.507 9.597 -2.749 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.656 6.812 -2.049 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.705 11.285 -1.426 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.853 8.496 -0.724 1.00 0.00 H new ATOM 0 HH TYR A 77 8.186 10.587 0.647 1.00 0.00 H new ATOM 1128 N TYR A 78 6.066 5.029 -5.575 1.00 0.00 N ATOM 1129 CA TYR A 78 5.898 3.740 -6.235 1.00 0.00 C ATOM 1130 C TYR A 78 6.092 2.593 -5.248 1.00 0.00 C ATOM 1131 O TYR A 78 7.221 2.241 -4.903 1.00 0.00 O ATOM 1132 CB TYR A 78 6.888 3.604 -7.393 1.00 0.00 C ATOM 1133 CG TYR A 78 6.640 2.392 -8.263 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.386 2.151 -8.811 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.658 1.487 -8.536 1.00 0.00 C ATOM 1136 CE1 TYR A 78 5.154 1.045 -9.606 1.00 0.00 C ATOM 1137 CE2 TYR A 78 7.436 0.379 -9.330 1.00 0.00 C ATOM 1138 CZ TYR A 78 6.182 0.163 -9.863 1.00 0.00 C ATOM 1139 OH TYR A 78 5.956 -0.941 -10.654 1.00 0.00 O ATOM 0 H TYR A 78 6.983 5.169 -5.151 1.00 0.00 H new ATOM 0 HA TYR A 78 4.882 3.690 -6.626 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.837 4.501 -8.011 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.900 3.551 -6.991 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.579 2.840 -8.612 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.641 1.653 -8.120 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.173 0.872 -10.024 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.239 -0.314 -9.532 1.00 0.00 H new ATOM 0 HH TYR A 78 6.784 -1.459 -10.737 1.00 0.00 H new ATOM 1149 N ILE A 79 4.984 2.015 -4.798 1.00 0.00 N ATOM 1150 CA ILE A 79 5.031 0.907 -3.852 1.00 0.00 C ATOM 1151 C ILE A 79 4.814 -0.428 -4.556 1.00 0.00 C ATOM 1152 O ILE A 79 4.073 -0.511 -5.536 1.00 0.00 O ATOM 1153 CB ILE A 79 3.974 1.068 -2.743 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.191 2.379 -1.987 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.023 -0.116 -1.788 1.00 0.00 C ATOM 1156 CD1 ILE A 79 2.963 2.861 -1.247 1.00 0.00 C ATOM 0 H ILE A 79 4.043 2.295 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 79 6.023 0.920 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 79 2.987 1.097 -3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.006 2.248 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.505 3.148 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.270 0.013 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.823 -1.036 -2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.011 -0.174 -1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.191 3.795 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.152 3.025 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.660 2.111 -0.517 1.00 0.00 H new ATOM 1168 N SER A 80 5.464 -1.471 -4.050 1.00 0.00 N ATOM 1169 CA SER A 80 5.344 -2.802 -4.633 1.00 0.00 C ATOM 1170 C SER A 80 5.462 -3.878 -3.557 1.00 0.00 C ATOM 1171 O SER A 80 6.345 -3.822 -2.701 1.00 0.00 O ATOM 1172 CB SER A 80 6.418 -3.013 -5.701 1.00 0.00 C ATOM 1173 OG SER A 80 6.215 -2.149 -6.806 1.00 0.00 O ATOM 0 H SER A 80 6.079 -1.420 -3.238 1.00 0.00 H new ATOM 0 HA SER A 80 4.361 -2.882 -5.097 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.403 -2.833 -5.271 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.402 -4.049 -6.038 1.00 0.00 H new ATOM 0 HG SER A 80 6.915 -2.302 -7.474 1.00 0.00 H new ATOM 1179 N TYR A 81 4.565 -4.857 -3.608 1.00 0.00 N ATOM 1180 CA TYR A 81 4.566 -5.945 -2.637 1.00 0.00 C ATOM 1181 C TYR A 81 4.194 -7.267 -3.301 1.00 0.00 C ATOM 1182 O TYR A 81 3.366 -7.308 -4.212 1.00 0.00 O ATOM 1183 CB TYR A 81 3.591 -5.641 -1.499 1.00 0.00 C ATOM 1184 CG TYR A 81 2.138 -5.792 -1.890 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.578 -7.048 -2.086 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.326 -4.678 -2.064 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.251 -7.191 -2.443 1.00 0.00 C ATOM 1188 CE2 TYR A 81 -0.002 -4.811 -2.420 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.535 -6.069 -2.609 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.857 -6.206 -2.966 1.00 0.00 O ATOM 0 H TYR A 81 3.829 -4.919 -4.311 1.00 0.00 H new ATOM 0 HA TYR A 81 5.573 -6.034 -2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.804 -6.306 -0.662 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.760 -4.623 -1.149 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.191 -7.928 -1.957 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.740 -3.691 -1.918 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.169 -8.175 -2.591 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.620 -3.935 -2.550 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.269 -5.320 -3.040 1.00 0.00 H new ATOM 1200 N THR A 82 4.813 -8.349 -2.838 1.00 0.00 N ATOM 1201 CA THR A 82 4.550 -9.673 -3.386 1.00 0.00 C ATOM 1202 C THR A 82 4.344 -10.697 -2.275 1.00 0.00 C ATOM 1203 O THR A 82 5.266 -11.038 -1.534 1.00 0.00 O ATOM 1204 CB THR A 82 5.700 -10.145 -4.295 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.856 -9.242 -5.396 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.437 -11.549 -4.818 1.00 0.00 C ATOM 0 H THR A 82 5.500 -8.334 -2.084 1.00 0.00 H new ATOM 0 HA THR A 82 3.638 -9.593 -3.978 1.00 0.00 H new ATOM 0 HB THR A 82 6.616 -10.161 -3.705 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.590 -9.548 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.263 -11.860 -5.457 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.348 -12.239 -3.979 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.511 -11.556 -5.393 1.00 0.00 H new ATOM 1214 N PRO A 83 3.106 -11.200 -2.155 1.00 0.00 N ATOM 1215 CA PRO A 83 2.751 -12.193 -1.137 1.00 0.00 C ATOM 1216 C PRO A 83 3.383 -13.553 -1.409 1.00 0.00 C ATOM 1217 O PRO A 83 3.423 -14.014 -2.550 1.00 0.00 O ATOM 1218 CB PRO A 83 1.226 -12.281 -1.244 1.00 0.00 C ATOM 1219 CG PRO A 83 0.920 -11.863 -2.641 1.00 0.00 C ATOM 1220 CD PRO A 83 1.959 -10.838 -3.004 1.00 0.00 C ATOM 0 HA PRO A 83 3.107 -11.907 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.873 -13.293 -1.047 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.740 -11.628 -0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.958 -12.715 -3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.083 -11.443 -2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.213 -10.881 -4.063 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.612 -9.825 -2.801 1.00 0.00 H new ATOM 1228 N LYS A 84 3.876 -14.193 -0.353 1.00 0.00 N ATOM 1229 CA LYS A 84 4.505 -15.502 -0.477 1.00 0.00 C ATOM 1230 C LYS A 84 3.467 -16.616 -0.382 1.00 0.00 C ATOM 1231 O LYS A 84 3.546 -17.612 -1.101 1.00 0.00 O ATOM 1232 CB LYS A 84 5.566 -15.686 0.611 1.00 0.00 C ATOM 1233 CG LYS A 84 6.757 -14.754 0.462 1.00 0.00 C ATOM 1234 CD LYS A 84 7.759 -14.947 1.588 1.00 0.00 C ATOM 1235 CE LYS A 84 7.268 -14.324 2.885 1.00 0.00 C ATOM 1236 NZ LYS A 84 6.466 -15.284 3.693 1.00 0.00 N ATOM 0 H LYS A 84 3.852 -13.826 0.598 1.00 0.00 H new ATOM 0 HA LYS A 84 4.983 -15.556 -1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.107 -15.523 1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.918 -16.718 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.245 -14.935 -0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.412 -13.720 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.937 -16.012 1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.713 -14.501 1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.122 -13.982 3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.664 -13.445 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.543 -14.861 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.322 -16.159 3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.972 -15.503 4.575 1.00 0.00 H new ATOM 1250 N GLU A 85 2.495 -16.439 0.507 1.00 0.00 N ATOM 1251 CA GLU A 85 1.442 -17.430 0.694 1.00 0.00 C ATOM 1252 C GLU A 85 0.064 -16.797 0.525 1.00 0.00 C ATOM 1253 O GLU A 85 -0.141 -15.613 0.795 1.00 0.00 O ATOM 1254 CB GLU A 85 1.554 -18.072 2.078 1.00 0.00 C ATOM 1255 CG GLU A 85 2.947 -18.585 2.400 1.00 0.00 C ATOM 1256 CD GLU A 85 3.946 -17.466 2.617 1.00 0.00 C ATOM 1257 OE1 GLU A 85 3.512 -16.334 2.916 1.00 0.00 O ATOM 1258 OE2 GLU A 85 5.162 -17.721 2.488 1.00 0.00 O ATOM 0 H GLU A 85 2.415 -15.619 1.109 1.00 0.00 H new ATOM 0 HA GLU A 85 1.565 -18.201 -0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.261 -17.342 2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.847 -18.899 2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.903 -19.206 3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.292 -19.222 1.586 1.00 0.00 H new ATOM 1265 N PRO A 86 -0.905 -17.603 0.066 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.281 -17.145 -0.150 1.00 0.00 C ATOM 1267 C PRO A 86 -3.007 -16.854 1.159 1.00 0.00 C ATOM 1268 O PRO A 86 -2.568 -17.271 2.230 1.00 0.00 O ATOM 1269 CB PRO A 86 -2.937 -18.322 -0.875 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.143 -19.512 -0.462 1.00 0.00 C ATOM 1271 CD PRO A 86 -0.733 -19.025 -0.276 1.00 0.00 C ATOM 0 HA PRO A 86 -2.316 -16.210 -0.709 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.984 -18.427 -0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.911 -18.185 -1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.533 -19.940 0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.189 -20.294 -1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.221 -19.570 0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.141 -19.151 -1.183 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.122 -16.136 1.066 1.00 0.00 N ATOM 1280 CA GLY A 87 -4.891 -15.802 2.250 1.00 0.00 C ATOM 1281 C GLY A 87 -5.169 -14.316 2.361 1.00 0.00 C ATOM 1282 O GLY A 87 -4.842 -13.547 1.458 1.00 0.00 O ATOM 0 H GLY A 87 -4.506 -15.780 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.836 -16.345 2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.351 -16.135 3.136 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.776 -13.911 3.473 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.098 -12.507 3.699 1.00 0.00 C ATOM 1288 C VAL A 88 -4.922 -11.767 4.327 1.00 0.00 C ATOM 1289 O VAL A 88 -4.278 -12.271 5.247 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.332 -12.354 4.608 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.092 -13.026 5.952 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.678 -10.884 4.793 1.00 0.00 C ATOM 0 H VAL A 88 -6.054 -14.535 4.230 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.318 -12.072 2.724 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.178 -12.846 4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.974 -12.908 6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.896 -14.087 5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.234 -12.565 6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.552 -10.794 5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.835 -10.367 5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.895 -10.436 3.823 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.648 -10.569 3.824 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.548 -9.759 4.334 1.00 0.00 C ATOM 1304 C TYR A 89 -4.023 -8.351 4.681 1.00 0.00 C ATOM 1305 O TYR A 89 -5.132 -7.951 4.325 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.418 -9.690 3.306 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.619 -10.968 3.197 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.167 -12.106 2.617 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.315 -11.038 3.672 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.440 -13.277 2.516 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.419 -12.204 3.574 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.148 -13.321 2.996 1.00 0.00 C ATOM 1313 OH TYR A 89 0.580 -14.485 2.896 1.00 0.00 O ATOM 0 H TYR A 89 -5.172 -10.137 3.063 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.174 -10.231 5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.840 -9.451 2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.747 -8.873 3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.178 -12.075 2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.132 -10.166 4.126 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.881 -14.153 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.432 -12.241 3.948 1.00 0.00 H new ATOM 0 HH TYR A 89 0.496 -14.847 1.989 1.00 0.00 H new ATOM 1323 N THR A 90 -3.174 -7.603 5.378 1.00 0.00 N ATOM 1324 CA THR A 90 -3.505 -6.240 5.775 1.00 0.00 C ATOM 1325 C THR A 90 -2.387 -5.272 5.403 1.00 0.00 C ATOM 1326 O THR A 90 -1.375 -5.180 6.099 1.00 0.00 O ATOM 1327 CB THR A 90 -3.769 -6.143 7.289 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.444 -7.321 7.744 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.605 -4.915 7.615 1.00 0.00 C ATOM 0 H THR A 90 -2.252 -7.918 5.679 1.00 0.00 H new ATOM 0 HA THR A 90 -4.413 -5.967 5.238 1.00 0.00 H new ATOM 0 HB THR A 90 -2.809 -6.055 7.798 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.607 -7.253 8.708 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.778 -4.868 8.690 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.075 -4.018 7.293 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.561 -4.977 7.096 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.575 -4.552 4.302 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.583 -3.590 3.839 1.00 0.00 C ATOM 1339 C VAL A 91 -1.626 -2.312 4.670 1.00 0.00 C ATOM 1340 O VAL A 91 -2.547 -1.506 4.540 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.797 -3.232 2.356 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.605 -2.457 1.816 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -2.043 -4.489 1.535 1.00 0.00 C ATOM 0 H VAL A 91 -3.406 -4.617 3.714 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.607 -4.062 3.954 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.679 -2.596 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.774 -2.213 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.480 -1.537 2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.295 -3.065 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.192 -4.218 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.182 -5.152 1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.931 -4.999 1.908 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.624 -2.135 5.523 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.547 -0.954 6.376 1.00 0.00 C ATOM 1355 C TRP A 92 0.091 0.214 5.633 1.00 0.00 C ATOM 1356 O TRP A 92 1.255 0.148 5.236 1.00 0.00 O ATOM 1357 CB TRP A 92 0.251 -1.266 7.643 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.548 -1.987 8.686 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.406 -3.031 8.486 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.565 -1.716 10.092 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.955 -3.425 9.682 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.455 -2.634 10.683 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.086 -0.788 10.910 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.709 -2.649 12.052 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 -0.167 -0.804 12.268 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -1.057 -1.730 12.828 1.00 0.00 C ATOM 0 H TRP A 92 0.146 -2.793 5.643 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.562 -0.671 6.655 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.118 -1.871 7.378 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.629 -0.334 8.065 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.621 -3.481 7.528 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.626 -4.183 9.805 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.775 -0.071 10.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.396 -3.361 12.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.330 -0.091 12.909 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.232 -1.718 13.894 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.677 1.283 5.448 1.00 0.00 N ATOM 1378 CA VAL A 93 -0.185 2.467 4.754 1.00 0.00 C ATOM 1379 C VAL A 93 -0.407 3.725 5.586 1.00 0.00 C ATOM 1380 O VAL A 93 -1.530 4.219 5.694 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.872 2.641 3.386 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.424 3.936 2.725 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.583 1.447 2.489 1.00 0.00 C ATOM 0 H VAL A 93 -1.643 1.353 5.769 1.00 0.00 H new ATOM 0 HA VAL A 93 0.884 2.322 4.600 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.949 2.695 3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.919 4.042 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.687 4.780 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.656 3.915 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.076 1.587 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.493 1.359 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.958 0.539 2.960 1.00 0.00 H new ATOM 1393 N CYS A 94 0.670 4.237 6.171 1.00 0.00 N ATOM 1394 CA CYS A 94 0.593 5.439 6.995 1.00 0.00 C ATOM 1395 C CYS A 94 1.698 6.423 6.626 1.00 0.00 C ATOM 1396 O CYS A 94 2.817 6.023 6.305 1.00 0.00 O ATOM 1397 CB CYS A 94 0.692 5.073 8.477 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.068 3.488 8.899 1.00 0.00 S ATOM 0 H CYS A 94 1.606 3.840 6.091 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.369 5.916 6.810 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.743 5.048 8.764 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.219 5.859 9.066 1.00 0.00 H new ATOM 0 HG CYS A 94 0.069 3.266 10.173 1.00 0.00 H new ATOM 1404 N ILE A 95 1.375 7.711 6.672 1.00 0.00 N ATOM 1405 CA ILE A 95 2.341 8.752 6.342 1.00 0.00 C ATOM 1406 C ILE A 95 2.608 9.655 7.542 1.00 0.00 C ATOM 1407 O ILE A 95 1.711 10.346 8.025 1.00 0.00 O ATOM 1408 CB ILE A 95 1.856 9.615 5.162 1.00 0.00 C ATOM 1409 CG1 ILE A 95 1.889 8.808 3.863 1.00 0.00 C ATOM 1410 CG2 ILE A 95 2.711 10.867 5.036 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.176 9.483 2.713 1.00 0.00 C ATOM 0 H ILE A 95 0.453 8.059 6.934 1.00 0.00 H new ATOM 0 HA ILE A 95 3.265 8.248 6.058 1.00 0.00 H new ATOM 0 HB ILE A 95 0.827 9.919 5.352 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.927 8.630 3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.435 7.833 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.356 11.467 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.641 11.450 5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.749 10.583 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.240 8.854 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.129 9.637 2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.644 10.446 2.510 1.00 0.00 H new ATOM 1423 N LYS A 96 3.848 9.645 8.018 1.00 0.00 N ATOM 1424 CA LYS A 96 4.237 10.465 9.159 1.00 0.00 C ATOM 1425 C LYS A 96 3.455 10.065 10.407 1.00 0.00 C ATOM 1426 O LYS A 96 2.939 10.920 11.126 1.00 0.00 O ATOM 1427 CB LYS A 96 4.006 11.946 8.852 1.00 0.00 C ATOM 1428 CG LYS A 96 4.881 12.478 7.731 1.00 0.00 C ATOM 1429 CD LYS A 96 4.397 13.832 7.240 1.00 0.00 C ATOM 1430 CE LYS A 96 5.426 14.500 6.340 1.00 0.00 C ATOM 1431 NZ LYS A 96 5.197 15.967 6.228 1.00 0.00 N ATOM 0 H LYS A 96 4.602 9.077 7.631 1.00 0.00 H new ATOM 0 HA LYS A 96 5.298 10.301 9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.959 12.094 8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.192 12.529 9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.910 12.563 8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.884 11.769 6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.461 13.709 6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.187 14.476 8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.426 14.318 6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.387 14.050 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.601 16.314 5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.175 16.161 6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.655 16.452 7.026 1.00 0.00 H new ATOM 1445 N GLU A 97 3.374 8.762 10.657 1.00 0.00 N ATOM 1446 CA GLU A 97 2.655 8.252 11.818 1.00 0.00 C ATOM 1447 C GLU A 97 1.176 8.620 11.748 1.00 0.00 C ATOM 1448 O GLU A 97 0.562 8.958 12.760 1.00 0.00 O ATOM 1449 CB GLU A 97 3.268 8.802 13.108 1.00 0.00 C ATOM 1450 CG GLU A 97 4.641 8.230 13.421 1.00 0.00 C ATOM 1451 CD GLU A 97 5.130 8.613 14.805 1.00 0.00 C ATOM 1452 OE1 GLU A 97 4.284 8.764 15.711 1.00 0.00 O ATOM 1453 OE2 GLU A 97 6.357 8.760 14.981 1.00 0.00 O ATOM 0 H GLU A 97 3.797 8.041 10.072 1.00 0.00 H new ATOM 0 HA GLU A 97 2.741 7.165 11.817 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.344 9.887 13.031 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.596 8.588 13.939 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.605 7.144 13.340 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.356 8.582 12.677 1.00 0.00 H new ATOM 1460 N GLN A 98 0.611 8.552 10.547 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.795 8.880 10.345 1.00 0.00 C ATOM 1462 C GLN A 98 -1.392 8.042 9.219 1.00 0.00 C ATOM 1463 O GLN A 98 -0.916 8.078 8.084 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.953 10.368 10.028 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.438 11.282 11.128 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.516 12.748 10.752 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.604 13.309 10.615 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.640 13.379 10.584 1.00 0.00 N ATOM 0 H GLN A 98 1.105 8.273 9.700 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.331 8.653 11.266 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.422 10.592 9.103 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.007 10.584 9.852 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.016 11.113 12.036 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.596 11.024 11.355 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.518 12.876 10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.650 14.367 10.331 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.439 7.288 9.540 1.00 0.00 N ATOM 1478 CA HIS A 99 -3.102 6.440 8.555 1.00 0.00 C ATOM 1479 C HIS A 99 -3.823 7.285 7.510 1.00 0.00 C ATOM 1480 O HIS A 99 -4.741 8.040 7.832 1.00 0.00 O ATOM 1481 CB HIS A 99 -4.094 5.503 9.244 1.00 0.00 C ATOM 1482 CG HIS A 99 -4.732 6.096 10.462 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -5.018 5.363 11.595 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -5.139 7.360 10.722 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -5.574 6.151 12.497 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -5.659 7.368 11.993 1.00 0.00 N ATOM 0 H HIS A 99 -2.846 7.247 10.474 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.340 5.844 8.052 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.873 5.227 8.534 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.579 4.585 9.525 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.068 8.206 10.054 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -5.903 5.851 13.481 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.048 8.182 12.470 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.402 7.154 6.256 1.00 0.00 N ATOM 1496 CA VAL A 100 -4.007 7.905 5.163 1.00 0.00 C ATOM 1497 C VAL A 100 -5.439 7.446 4.909 1.00 0.00 C ATOM 1498 O VAL A 100 -5.942 6.547 5.582 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.195 7.758 3.863 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.770 8.250 4.065 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.206 6.312 3.388 1.00 0.00 C ATOM 0 H VAL A 100 -2.643 6.534 5.972 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.011 8.953 5.463 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.661 8.373 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.211 8.138 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.785 9.301 4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.291 7.664 4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.627 6.227 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.766 5.674 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.233 5.998 3.201 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.090 8.071 3.933 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.465 7.727 3.590 1.00 0.00 C ATOM 1513 C GLN A 101 -7.538 6.341 2.958 1.00 0.00 C ATOM 1514 O GLN A 101 -6.672 5.960 2.171 1.00 0.00 O ATOM 1515 CB GLN A 101 -8.050 8.768 2.634 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.397 8.370 2.052 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.766 9.181 0.826 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -9.702 10.411 0.838 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.154 8.496 -0.243 1.00 0.00 N ATOM 0 H GLN A 101 -5.688 8.818 3.366 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.051 7.718 4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.157 9.715 3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.347 8.936 1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.377 7.312 1.790 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.168 8.496 2.812 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -10.193 7.477 -0.210 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.413 8.988 -1.098 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.578 5.590 3.308 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.744 4.254 2.766 1.00 0.00 C ATOM 1530 C GLY A 102 -7.604 3.329 3.144 1.00 0.00 C ATOM 1531 O GLY A 102 -7.071 2.611 2.298 1.00 0.00 O ATOM 0 H GLY A 102 -9.308 5.883 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.683 3.834 3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.816 4.312 1.680 1.00 0.00 H new ATOM 1535 N SER A 103 -7.229 3.346 4.419 1.00 0.00 N ATOM 1536 CA SER A 103 -6.141 2.506 4.907 1.00 0.00 C ATOM 1537 C SER A 103 -6.056 2.557 6.429 1.00 0.00 C ATOM 1538 O SER A 103 -6.405 3.553 7.063 1.00 0.00 O ATOM 1539 CB SER A 103 -4.811 2.951 4.295 1.00 0.00 C ATOM 1540 OG SER A 103 -4.548 2.259 3.087 1.00 0.00 O ATOM 0 H SER A 103 -7.662 3.932 5.133 1.00 0.00 H new ATOM 0 HA SER A 103 -6.345 1.478 4.606 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.836 4.024 4.105 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.003 2.771 5.004 1.00 0.00 H new ATOM 0 HG SER A 103 -5.296 2.388 2.467 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.580 1.457 7.032 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.162 0.265 6.287 1.00 0.00 C ATOM 1548 C PRO A 104 -6.342 -0.469 5.659 1.00 0.00 C ATOM 1549 O PRO A 104 -7.496 -0.230 6.015 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.498 -0.606 7.357 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.124 -0.176 8.638 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.415 1.292 8.485 1.00 0.00 C ATOM 0 HA PRO A 104 -4.506 0.514 5.453 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.671 -1.666 7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.418 -0.457 7.375 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.038 -0.737 8.833 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.454 -0.355 9.479 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.315 1.582 9.027 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.600 1.905 8.869 1.00 0.00 H new ATOM 1560 N PHE A 105 -6.044 -1.365 4.724 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.081 -2.135 4.046 1.00 0.00 C ATOM 1562 C PHE A 105 -6.652 -3.589 3.871 1.00 0.00 C ATOM 1563 O PHE A 105 -5.465 -3.887 3.738 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.394 -1.517 2.681 1.00 0.00 C ATOM 1565 CG PHE A 105 -6.213 -1.481 1.754 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.844 -2.608 1.038 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.473 -0.321 1.598 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.758 -2.579 0.183 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.386 -0.285 0.745 1.00 0.00 C ATOM 1570 CZ PHE A 105 -4.028 -1.416 0.037 1.00 0.00 C ATOM 0 H PHE A 105 -5.094 -1.576 4.419 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.979 -2.111 4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.198 -2.083 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.762 -0.502 2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.411 -3.520 1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.748 0.566 2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.481 -3.464 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.817 0.626 0.632 1.00 0.00 H new ATOM 0 HZ PHE A 105 -3.179 -1.391 -0.630 1.00 0.00 H new ATOM 1580 N THR A 106 -7.628 -4.492 3.874 1.00 0.00 N ATOM 1581 CA THR A 106 -7.354 -5.915 3.719 1.00 0.00 C ATOM 1582 C THR A 106 -7.174 -6.283 2.251 1.00 0.00 C ATOM 1583 O THR A 106 -7.673 -5.592 1.362 1.00 0.00 O ATOM 1584 CB THR A 106 -8.484 -6.773 4.317 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.731 -6.076 4.224 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.194 -7.112 5.772 1.00 0.00 C ATOM 0 H THR A 106 -8.616 -4.262 3.982 1.00 0.00 H new ATOM 0 HA THR A 106 -6.429 -6.119 4.258 1.00 0.00 H new ATOM 0 HB THR A 106 -8.544 -7.701 3.749 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.444 -6.630 4.605 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.006 -7.719 6.173 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.259 -7.669 5.837 1.00 0.00 H new ATOM 0 HG23 THR A 106 -8.109 -6.192 6.350 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.459 -7.375 2.002 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.215 -7.836 0.641 1.00 0.00 C ATOM 1596 C VAL A 107 -6.221 -9.359 0.567 1.00 0.00 C ATOM 1597 O VAL A 107 -5.532 -10.032 1.333 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.870 -7.313 0.103 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.493 -8.031 -1.183 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.933 -5.808 -0.114 1.00 0.00 C ATOM 0 H VAL A 107 -6.038 -7.957 2.726 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.023 -7.441 0.024 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.097 -7.518 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.540 -7.648 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.404 -9.100 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.264 -7.861 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.974 -5.455 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.717 -5.577 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.153 -5.313 0.832 1.00 0.00 H new ATOM 1610 N THR A 108 -7.005 -9.898 -0.362 1.00 0.00 N ATOM 1611 CA THR A 108 -7.103 -11.341 -0.537 1.00 0.00 C ATOM 1612 C THR A 108 -6.045 -11.850 -1.509 1.00 0.00 C ATOM 1613 O THR A 108 -5.899 -11.326 -2.614 1.00 0.00 O ATOM 1614 CB THR A 108 -8.495 -11.753 -1.050 1.00 0.00 C ATOM 1615 OG1 THR A 108 -8.780 -13.102 -0.666 1.00 0.00 O ATOM 1616 CG2 THR A 108 -8.574 -11.623 -2.564 1.00 0.00 C ATOM 0 H THR A 108 -7.582 -9.356 -1.005 1.00 0.00 H new ATOM 0 HA THR A 108 -6.939 -11.789 0.443 1.00 0.00 H new ATOM 0 HB THR A 108 -9.234 -11.086 -0.605 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.668 -13.355 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.566 -11.920 -2.903 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.387 -10.588 -2.851 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.826 -12.268 -3.024 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.308 -12.875 -1.092 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.264 -13.456 -1.928 1.00 0.00 C ATOM 1626 C VAL A 109 -4.675 -14.831 -2.444 1.00 0.00 C ATOM 1627 O VAL A 109 -4.664 -15.813 -1.701 1.00 0.00 O ATOM 1628 CB VAL A 109 -2.936 -13.584 -1.159 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -1.879 -14.251 -2.026 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.463 -12.219 -0.682 1.00 0.00 C ATOM 0 H VAL A 109 -5.415 -13.320 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.122 -12.782 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.102 -14.212 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.948 -14.333 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.219 -15.246 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.712 -13.653 -2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.523 -12.328 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.313 -11.565 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.214 -11.784 -0.022 1.00 0.00 H new ATOM 1640 N ARG A 110 -5.036 -14.894 -3.721 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.451 -16.149 -4.337 1.00 0.00 C ATOM 1642 C ARG A 110 -4.319 -17.172 -4.303 1.00 0.00 C ATOM 1643 O ARG A 110 -3.218 -16.878 -3.837 1.00 0.00 O ATOM 1644 CB ARG A 110 -5.894 -15.911 -5.781 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.044 -14.926 -5.911 1.00 0.00 C ATOM 1646 CD ARG A 110 -7.889 -15.215 -7.142 1.00 0.00 C ATOM 1647 NE ARG A 110 -9.019 -14.297 -7.259 1.00 0.00 N ATOM 1648 CZ ARG A 110 -10.125 -14.576 -7.939 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -10.249 -15.740 -8.561 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -11.110 -13.688 -7.999 1.00 0.00 N ATOM 0 H ARG A 110 -5.050 -14.091 -4.350 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.292 -16.544 -3.767 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.045 -15.543 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.190 -16.862 -6.223 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.669 -14.975 -5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.650 -13.911 -5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -7.267 -15.140 -8.034 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.258 -16.240 -7.096 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.955 -13.392 -6.793 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.494 -16.424 -8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.100 -15.951 -9.083 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.018 -12.791 -7.523 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.959 -13.903 -8.521 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.598 -18.373 -4.799 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.604 -19.439 -4.823 1.00 0.00 C ATOM 1666 C ARG A 111 -2.948 -19.539 -6.198 1.00 0.00 C ATOM 1667 O ARG A 111 -3.605 -19.370 -7.225 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.250 -20.776 -4.456 1.00 0.00 C ATOM 1669 CG ARG A 111 -4.613 -20.893 -2.984 1.00 0.00 C ATOM 1670 CD ARG A 111 -5.953 -20.240 -2.687 1.00 0.00 C ATOM 1671 NE ARG A 111 -7.068 -20.995 -3.253 1.00 0.00 N ATOM 1672 CZ ARG A 111 -8.315 -20.913 -2.803 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -8.605 -20.113 -1.787 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -9.275 -21.632 -3.371 1.00 0.00 N ATOM 0 H ARG A 111 -5.504 -18.632 -5.190 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.835 -19.201 -4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -5.150 -20.912 -5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.567 -21.584 -4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.649 -21.945 -2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -3.837 -20.425 -2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.083 -20.155 -1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -5.960 -19.227 -3.090 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.879 -21.620 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.870 -19.558 -1.349 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -9.563 -20.052 -1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -9.055 -22.248 -4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -10.232 -21.569 -3.025 1.00 0.00 H new