USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 661 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 109 LYS NZ :NH3+ 172:sc=-0.00337 (180deg=-0.101) USER MOD Set 1.2: A 110 GLN : amide:sc= -0.0254 K(o=-0.029,f=-1.7!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.1) USER MOD Set 2.2: A 89 MET CE :methyl 160:sc= -0.409 (180deg=-1.07) USER MOD Set 3.1: A 36 SER OG : rot -160:sc= 0 USER MOD Set 3.2: A 51 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 22 LYS NZ :NH3+ -109:sc= 0.209 (180deg=-0.262) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0.727 (180deg=0.331) USER MOD Single : A 30 GLN : amide:sc= -2.6! K(o=-2.6!,f=-0.54) USER MOD Single : A 31 ASN : amide:sc= -3.76! C(o=-3.8!,f=-10!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -96:sc= 1.17 USER MOD Single : A 63 THR OG1 : rot -16:sc= 1.13 USER MOD Single : A 71 THR OG1 : rot -35:sc= 0.201 USER MOD Single : A 74 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.73) USER MOD Single : A 77 SER OG : rot 180:sc= 0.00539 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -145:sc= 0.363 (180deg=-0.143) USER MOD Single : A 91 GLN : amide:sc= 0.513 K(o=0.51,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0355 (180deg=-0.267) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0426 USER MOD Single : A 100 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-0.53) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 22 3.120 5.396 7.799 1.00 0.00 N ATOM 113 CA LYS A 22 1.867 4.702 7.555 1.00 0.00 C ATOM 114 C LYS A 22 0.763 5.712 7.272 1.00 0.00 C ATOM 115 O LYS A 22 0.708 6.768 7.903 1.00 0.00 O ATOM 116 CB LYS A 22 1.505 3.826 8.766 1.00 0.00 C ATOM 117 CG LYS A 22 1.276 4.604 10.057 1.00 0.00 C ATOM 118 CD LYS A 22 -0.195 4.939 10.251 1.00 0.00 C ATOM 119 CE LYS A 22 -0.396 5.971 11.347 1.00 0.00 C ATOM 120 NZ LYS A 22 0.136 7.304 10.955 1.00 0.00 N ATOM 0 HA LYS A 22 1.978 4.056 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.604 3.259 8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.304 3.103 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.632 4.018 10.904 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.860 5.524 10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.609 5.316 9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.745 4.032 10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.458 6.056 11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.100 5.635 12.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.993 7.511 11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.368 7.301 9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.581 8.033 11.143 1.00 0.00 H new ATOM 134 N VAL A 23 -0.102 5.406 6.315 1.00 0.00 N ATOM 135 CA VAL A 23 -1.243 6.270 6.029 1.00 0.00 C ATOM 136 C VAL A 23 -2.491 5.429 5.780 1.00 0.00 C ATOM 137 O VAL A 23 -2.406 4.305 5.278 1.00 0.00 O ATOM 138 CB VAL A 23 -0.999 7.235 4.831 1.00 0.00 C ATOM 139 CG1 VAL A 23 0.178 8.155 5.102 1.00 0.00 C ATOM 140 CG2 VAL A 23 -0.779 6.484 3.531 1.00 0.00 C ATOM 0 H VAL A 23 -0.039 4.575 5.728 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.387 6.896 6.910 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.902 7.836 4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.326 8.818 4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.023 8.750 5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.077 7.559 5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.613 7.196 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.092 5.836 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.658 5.879 3.307 1.00 0.00 H new ATOM 150 N THR A 24 -3.642 5.964 6.153 1.00 0.00 N ATOM 151 CA THR A 24 -4.902 5.251 6.008 1.00 0.00 C ATOM 152 C THR A 24 -5.761 5.900 4.926 1.00 0.00 C ATOM 153 O THR A 24 -6.396 6.931 5.147 1.00 0.00 O ATOM 154 CB THR A 24 -5.672 5.182 7.353 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.025 4.756 7.141 1.00 0.00 O ATOM 156 CG2 THR A 24 -5.663 6.526 8.072 1.00 0.00 C ATOM 0 H THR A 24 -3.730 6.895 6.561 1.00 0.00 H new ATOM 0 HA THR A 24 -4.675 4.229 5.705 1.00 0.00 H new ATOM 0 HB THR A 24 -5.161 4.453 7.982 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.494 4.717 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.211 6.440 9.010 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.634 6.821 8.279 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.137 7.279 7.442 1.00 0.00 H new ATOM 164 N LEU A 25 -5.765 5.295 3.750 1.00 0.00 N ATOM 165 CA LEU A 25 -6.448 5.861 2.597 1.00 0.00 C ATOM 166 C LEU A 25 -7.650 5.011 2.212 1.00 0.00 C ATOM 167 O LEU A 25 -8.030 4.085 2.934 1.00 0.00 O ATOM 168 CB LEU A 25 -5.476 5.925 1.426 1.00 0.00 C ATOM 169 CG LEU A 25 -4.079 6.405 1.791 1.00 0.00 C ATOM 170 CD1 LEU A 25 -3.114 6.100 0.666 1.00 0.00 C ATOM 171 CD2 LEU A 25 -4.096 7.891 2.108 1.00 0.00 C ATOM 0 H LEU A 25 -5.300 4.406 3.567 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.799 6.861 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.401 4.934 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.887 6.588 0.665 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.744 5.875 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.117 6.448 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.088 5.025 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.441 6.608 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.089 8.219 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.445 8.445 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.766 8.076 2.948 1.00 0.00 H new ATOM 183 N GLN A 26 -8.225 5.317 1.061 1.00 0.00 N ATOM 184 CA GLN A 26 -9.386 4.613 0.569 1.00 0.00 C ATOM 185 C GLN A 26 -9.192 4.234 -0.880 1.00 0.00 C ATOM 186 O GLN A 26 -8.577 4.967 -1.645 1.00 0.00 O ATOM 187 CB GLN A 26 -10.643 5.460 0.750 1.00 0.00 C ATOM 188 CG GLN A 26 -11.111 5.494 2.190 1.00 0.00 C ATOM 189 CD GLN A 26 -12.182 6.530 2.446 1.00 0.00 C ATOM 190 OE1 GLN A 26 -12.235 7.568 1.788 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.028 6.263 3.425 1.00 0.00 N ATOM 0 H GLN A 26 -7.896 6.061 0.445 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.512 3.698 1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.445 6.477 0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.440 5.063 0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.493 4.511 2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.258 5.696 2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.947 5.389 3.945 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.762 6.931 3.661 1.00 0.00 H new ATOM 200 N LYS A 27 -9.718 3.073 -1.221 1.00 0.00 N ATOM 201 CA LYS A 27 -9.562 2.478 -2.553 1.00 0.00 C ATOM 202 C LYS A 27 -9.905 3.449 -3.673 1.00 0.00 C ATOM 203 O LYS A 27 -10.656 4.408 -3.487 1.00 0.00 O ATOM 204 CB LYS A 27 -10.486 1.272 -2.726 1.00 0.00 C ATOM 205 CG LYS A 27 -10.299 0.161 -1.721 1.00 0.00 C ATOM 206 CD LYS A 27 -8.872 -0.300 -1.679 1.00 0.00 C ATOM 207 CE LYS A 27 -8.771 -1.778 -1.387 1.00 0.00 C ATOM 208 NZ LYS A 27 -9.499 -2.147 -0.152 1.00 0.00 N ATOM 0 H LYS A 27 -10.273 2.504 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.512 2.192 -2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.519 1.617 -2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.338 0.863 -3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.601 0.507 -0.732 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.947 -0.677 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.392 -0.084 -2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.331 0.260 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.173 -2.343 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.722 -2.058 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.322 -3.148 0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.168 -1.554 0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.519 -1.999 -0.293 1.00 0.00 H new ATOM 222 N ASP A 28 -9.378 3.155 -4.848 1.00 0.00 N ATOM 223 CA ASP A 28 -9.745 3.862 -6.055 1.00 0.00 C ATOM 224 C ASP A 28 -10.931 3.139 -6.685 1.00 0.00 C ATOM 225 O ASP A 28 -11.577 2.323 -6.024 1.00 0.00 O ATOM 226 CB ASP A 28 -8.564 3.905 -7.029 1.00 0.00 C ATOM 227 CG ASP A 28 -8.351 2.590 -7.753 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.432 1.529 -7.107 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.121 2.616 -8.979 1.00 0.00 O ATOM 0 H ASP A 28 -8.685 2.420 -4.989 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.017 4.891 -5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.732 4.695 -7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.657 4.164 -6.482 1.00 0.00 H new ATOM 234 N ALA A 29 -11.220 3.406 -7.944 1.00 0.00 N ATOM 235 CA ALA A 29 -12.306 2.714 -8.619 1.00 0.00 C ATOM 236 C ALA A 29 -11.997 1.228 -8.798 1.00 0.00 C ATOM 237 O ALA A 29 -12.908 0.399 -8.829 1.00 0.00 O ATOM 238 CB ALA A 29 -12.599 3.362 -9.961 1.00 0.00 C ATOM 0 H ALA A 29 -10.725 4.089 -8.517 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.193 2.796 -7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.415 2.830 -10.451 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.884 4.403 -9.808 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.709 3.318 -10.588 1.00 0.00 H new ATOM 244 N GLN A 30 -10.715 0.886 -8.864 1.00 0.00 N ATOM 245 CA GLN A 30 -10.305 -0.482 -9.140 1.00 0.00 C ATOM 246 C GLN A 30 -10.093 -1.262 -7.848 1.00 0.00 C ATOM 247 O GLN A 30 -9.561 -2.374 -7.865 1.00 0.00 O ATOM 248 CB GLN A 30 -9.030 -0.489 -9.956 1.00 0.00 C ATOM 249 CG GLN A 30 -8.844 -1.733 -10.803 1.00 0.00 C ATOM 250 CD GLN A 30 -7.715 -1.569 -11.789 1.00 0.00 C ATOM 251 OE1 GLN A 30 -7.922 -1.152 -12.928 1.00 0.00 O ATOM 252 NE2 GLN A 30 -6.512 -1.877 -11.353 1.00 0.00 N ATOM 0 H GLN A 30 -9.943 1.539 -8.730 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.101 -0.965 -9.707 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.023 0.385 -10.607 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.179 -0.391 -9.282 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.642 -2.587 -10.157 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.768 -1.950 -11.339 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.387 -2.219 -10.400 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.705 -1.773 -11.968 1.00 0.00 H new ATOM 261 N ASN A 31 -10.494 -0.659 -6.730 1.00 0.00 N ATOM 262 CA ASN A 31 -10.420 -1.312 -5.419 1.00 0.00 C ATOM 263 C ASN A 31 -8.965 -1.534 -5.001 1.00 0.00 C ATOM 264 O ASN A 31 -8.631 -2.489 -4.300 1.00 0.00 O ATOM 265 CB ASN A 31 -11.178 -2.641 -5.449 1.00 0.00 C ATOM 266 CG ASN A 31 -11.221 -3.367 -4.112 1.00 0.00 C ATOM 267 OD1 ASN A 31 -11.271 -2.748 -3.043 1.00 0.00 O ATOM 268 ND2 ASN A 31 -11.188 -4.691 -4.165 1.00 0.00 N ATOM 0 H ASN A 31 -10.876 0.286 -6.704 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.886 -0.658 -4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.199 -2.456 -5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.715 -3.294 -6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.204 -5.236 -3.303 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.147 -5.164 -5.068 1.00 0.00 H new ATOM 275 N LEU A 32 -8.089 -0.663 -5.448 1.00 0.00 N ATOM 276 CA LEU A 32 -6.715 -0.695 -4.984 1.00 0.00 C ATOM 277 C LEU A 32 -6.233 0.691 -4.601 1.00 0.00 C ATOM 278 O LEU A 32 -7.026 1.629 -4.528 1.00 0.00 O ATOM 279 CB LEU A 32 -5.795 -1.347 -6.021 1.00 0.00 C ATOM 280 CG LEU A 32 -5.974 -0.921 -7.487 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.599 0.534 -7.706 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.140 -1.812 -8.390 1.00 0.00 C ATOM 0 H LEU A 32 -8.297 0.071 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.680 -1.311 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.764 -1.142 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.934 -2.427 -5.964 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.030 -1.030 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.741 0.792 -8.755 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.232 1.170 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.555 0.686 -7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.272 -1.504 -9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.088 -1.725 -8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.460 -2.848 -8.275 1.00 0.00 H new ATOM 294 N ILE A 33 -4.945 0.820 -4.333 1.00 0.00 N ATOM 295 CA ILE A 33 -4.406 2.081 -3.902 1.00 0.00 C ATOM 296 C ILE A 33 -3.659 2.766 -5.030 1.00 0.00 C ATOM 297 O ILE A 33 -3.595 3.991 -5.078 1.00 0.00 O ATOM 298 CB ILE A 33 -3.477 1.910 -2.693 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.513 0.461 -2.181 1.00 0.00 C ATOM 300 CG2 ILE A 33 -3.905 2.874 -1.606 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.521 0.180 -1.070 1.00 0.00 C ATOM 0 H ILE A 33 -4.262 0.066 -4.408 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.248 2.706 -3.604 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.451 2.129 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.518 0.237 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.313 -0.214 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.251 2.761 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.839 3.896 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.933 2.660 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.606 -0.862 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.510 0.371 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.733 0.828 -0.220 1.00 0.00 H new ATOM 313 N GLY A 34 -3.122 1.971 -5.948 1.00 0.00 N ATOM 314 CA GLY A 34 -2.394 2.519 -7.074 1.00 0.00 C ATOM 315 C GLY A 34 -0.889 2.386 -6.930 1.00 0.00 C ATOM 316 O GLY A 34 -0.141 3.195 -7.480 1.00 0.00 O ATOM 0 H GLY A 34 -3.179 0.953 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.712 2.013 -7.986 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.651 3.572 -7.187 1.00 0.00 H new ATOM 320 N ILE A 35 -0.438 1.365 -6.207 1.00 0.00 N ATOM 321 CA ILE A 35 0.996 1.179 -5.973 1.00 0.00 C ATOM 322 C ILE A 35 1.486 -0.167 -6.475 1.00 0.00 C ATOM 323 O ILE A 35 0.712 -1.015 -6.912 1.00 0.00 O ATOM 324 CB ILE A 35 1.378 1.322 -4.478 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.510 0.435 -3.582 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.283 2.766 -4.035 1.00 0.00 C ATOM 327 CD1 ILE A 35 1.035 -0.969 -3.391 1.00 0.00 C ATOM 0 H ILE A 35 -1.035 0.659 -5.776 1.00 0.00 H new ATOM 0 HA ILE A 35 1.484 1.974 -6.538 1.00 0.00 H new ATOM 0 HB ILE A 35 2.411 0.989 -4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.415 0.910 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.492 0.380 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.556 2.842 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.963 3.375 -4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.262 3.122 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.358 -1.526 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.103 -1.467 -4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.024 -0.929 -2.934 1.00 0.00 H new ATOM 339 N SER A 36 2.791 -0.344 -6.403 1.00 0.00 N ATOM 340 CA SER A 36 3.429 -1.592 -6.757 1.00 0.00 C ATOM 341 C SER A 36 4.499 -1.938 -5.745 1.00 0.00 C ATOM 342 O SER A 36 5.388 -1.134 -5.461 1.00 0.00 O ATOM 343 CB SER A 36 4.018 -1.516 -8.162 1.00 0.00 C ATOM 344 OG SER A 36 2.988 -1.592 -9.124 1.00 0.00 O ATOM 0 H SER A 36 3.440 0.380 -6.095 1.00 0.00 H new ATOM 0 HA SER A 36 2.677 -2.381 -6.749 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.571 -0.585 -8.283 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.727 -2.330 -8.312 1.00 0.00 H new ATOM 0 HG SER A 36 3.366 -1.860 -9.988 1.00 0.00 H new ATOM 350 N ILE A 37 4.401 -3.133 -5.197 1.00 0.00 N ATOM 351 CA ILE A 37 5.339 -3.573 -4.175 1.00 0.00 C ATOM 352 C ILE A 37 6.429 -4.448 -4.784 1.00 0.00 C ATOM 353 O ILE A 37 6.173 -5.287 -5.657 1.00 0.00 O ATOM 354 CB ILE A 37 4.637 -4.325 -3.015 1.00 0.00 C ATOM 355 CG1 ILE A 37 3.614 -3.408 -2.334 1.00 0.00 C ATOM 356 CG2 ILE A 37 5.656 -4.825 -1.995 1.00 0.00 C ATOM 357 CD1 ILE A 37 2.850 -4.070 -1.206 1.00 0.00 C ATOM 0 H ILE A 37 3.685 -3.817 -5.439 1.00 0.00 H new ATOM 0 HA ILE A 37 5.793 -2.675 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 37 4.119 -5.189 -3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.130 -2.531 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.904 -3.054 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.139 -5.349 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.354 -5.506 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.204 -3.978 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.147 -3.357 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.304 -4.931 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.549 -4.399 -0.437 1.00 0.00 H new ATOM 369 N GLY A 38 7.637 -4.239 -4.301 1.00 0.00 N ATOM 370 CA GLY A 38 8.791 -4.936 -4.813 1.00 0.00 C ATOM 371 C GLY A 38 9.606 -5.541 -3.694 1.00 0.00 C ATOM 372 O GLY A 38 10.392 -4.847 -3.036 1.00 0.00 O ATOM 0 H GLY A 38 7.842 -3.584 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.470 -5.721 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.411 -4.246 -5.386 1.00 0.00 H new ATOM 514 N ILE A 49 8.340 0.202 -1.980 1.00 0.00 N ATOM 515 CA ILE A 49 7.352 0.370 -3.037 1.00 0.00 C ATOM 516 C ILE A 49 8.042 0.907 -4.296 1.00 0.00 C ATOM 517 O ILE A 49 8.776 1.897 -4.244 1.00 0.00 O ATOM 518 CB ILE A 49 6.215 1.317 -2.548 1.00 0.00 C ATOM 519 CG1 ILE A 49 5.081 1.457 -3.566 1.00 0.00 C ATOM 520 CG2 ILE A 49 6.764 2.687 -2.191 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.277 2.577 -4.569 1.00 0.00 C ATOM 0 HA ILE A 49 6.898 -0.589 -3.285 1.00 0.00 H new ATOM 0 HB ILE A 49 5.795 0.854 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.975 0.516 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.146 1.624 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.950 3.328 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.502 2.587 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.235 3.130 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.428 2.606 -5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.351 3.528 -4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.193 2.403 -5.134 1.00 0.00 H new ATOM 533 N VAL A 50 7.818 0.244 -5.424 1.00 0.00 N ATOM 534 CA VAL A 50 8.606 0.503 -6.625 1.00 0.00 C ATOM 535 C VAL A 50 7.934 1.464 -7.603 1.00 0.00 C ATOM 536 O VAL A 50 8.612 2.074 -8.430 1.00 0.00 O ATOM 537 CB VAL A 50 8.943 -0.807 -7.373 1.00 0.00 C ATOM 538 CG1 VAL A 50 9.899 -1.662 -6.555 1.00 0.00 C ATOM 539 CG2 VAL A 50 7.679 -1.589 -7.699 1.00 0.00 C ATOM 0 H VAL A 50 7.101 -0.474 -5.533 1.00 0.00 H new ATOM 0 HA VAL A 50 9.519 0.977 -6.264 1.00 0.00 H new ATOM 0 HB VAL A 50 9.431 -0.542 -8.311 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.123 -2.579 -7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.822 -1.109 -6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.438 -1.911 -5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.944 -2.506 -8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.157 -1.838 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.029 -0.983 -8.331 1.00 0.00 H new ATOM 549 N GLN A 51 6.617 1.614 -7.521 1.00 0.00 N ATOM 550 CA GLN A 51 5.899 2.401 -8.513 1.00 0.00 C ATOM 551 C GLN A 51 4.528 2.815 -7.999 1.00 0.00 C ATOM 552 O GLN A 51 3.868 2.055 -7.294 1.00 0.00 O ATOM 553 CB GLN A 51 5.779 1.600 -9.821 1.00 0.00 C ATOM 554 CG GLN A 51 4.366 1.499 -10.376 1.00 0.00 C ATOM 555 CD GLN A 51 4.296 0.663 -11.634 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.241 0.621 -12.421 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.183 -0.021 -11.824 1.00 0.00 N ATOM 0 H GLN A 51 6.033 1.208 -6.790 1.00 0.00 H new ATOM 0 HA GLN A 51 6.461 3.314 -8.709 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.419 2.061 -10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.161 0.593 -9.651 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.712 1.066 -9.619 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.990 2.500 -10.587 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.423 0.042 -11.146 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.083 -0.613 -12.649 1.00 0.00 H new ATOM 566 N VAL A 52 4.126 4.031 -8.332 1.00 0.00 N ATOM 567 CA VAL A 52 2.813 4.532 -7.966 1.00 0.00 C ATOM 568 C VAL A 52 2.232 5.360 -9.111 1.00 0.00 C ATOM 569 O VAL A 52 2.962 5.814 -9.996 1.00 0.00 O ATOM 570 CB VAL A 52 2.865 5.387 -6.678 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.466 6.760 -6.945 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.486 5.512 -6.055 1.00 0.00 C ATOM 0 H VAL A 52 4.696 4.693 -8.859 1.00 0.00 H new ATOM 0 HA VAL A 52 2.173 3.671 -7.772 1.00 0.00 H new ATOM 0 HB VAL A 52 3.515 4.875 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.487 7.334 -6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.481 6.645 -7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.860 7.285 -7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.549 6.118 -5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.808 5.988 -6.764 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.110 4.521 -5.802 1.00 0.00 H new ATOM 582 N PHE A 53 0.926 5.545 -9.093 1.00 0.00 N ATOM 583 CA PHE A 53 0.252 6.366 -10.068 1.00 0.00 C ATOM 584 C PHE A 53 -0.325 7.580 -9.353 1.00 0.00 C ATOM 585 O PHE A 53 -1.080 7.457 -8.397 1.00 0.00 O ATOM 586 CB PHE A 53 -0.832 5.566 -10.793 1.00 0.00 C ATOM 587 CG PHE A 53 -0.305 4.354 -11.511 1.00 0.00 C ATOM 588 CD1 PHE A 53 0.237 4.465 -12.780 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.353 3.103 -10.914 1.00 0.00 C ATOM 590 CE1 PHE A 53 0.724 3.353 -13.439 1.00 0.00 C ATOM 591 CE2 PHE A 53 0.131 1.987 -11.569 1.00 0.00 C ATOM 592 CZ PHE A 53 0.670 2.113 -12.834 1.00 0.00 C ATOM 0 H PHE A 53 0.306 5.128 -8.399 1.00 0.00 H new ATOM 0 HA PHE A 53 0.955 6.701 -10.830 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.585 5.251 -10.070 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.332 6.215 -11.512 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.280 5.432 -13.260 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.774 3.000 -9.925 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.147 3.453 -14.428 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.088 1.019 -11.093 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.049 1.243 -13.350 1.00 0.00 H new ATOM 602 N ASP A 54 0.049 8.736 -9.843 1.00 0.00 N ATOM 603 CA ASP A 54 -0.117 10.025 -9.143 1.00 0.00 C ATOM 604 C ASP A 54 -1.567 10.357 -8.780 1.00 0.00 C ATOM 605 O ASP A 54 -1.825 11.116 -7.846 1.00 0.00 O ATOM 606 CB ASP A 54 0.462 11.151 -10.003 1.00 0.00 C ATOM 607 CG ASP A 54 0.425 12.498 -9.307 1.00 0.00 C ATOM 608 OD1 ASP A 54 1.256 12.727 -8.402 1.00 0.00 O ATOM 609 OD2 ASP A 54 -0.433 13.337 -9.659 1.00 0.00 O ATOM 0 H ASP A 54 0.489 8.829 -10.758 1.00 0.00 H new ATOM 0 HA ASP A 54 0.422 9.931 -8.200 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.492 10.910 -10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.097 11.214 -10.937 1.00 0.00 H new ATOM 614 N ASN A 55 -2.503 9.775 -9.495 1.00 0.00 N ATOM 615 CA ASN A 55 -3.908 10.122 -9.356 1.00 0.00 C ATOM 616 C ASN A 55 -4.623 9.075 -8.527 1.00 0.00 C ATOM 617 O ASN A 55 -5.851 9.066 -8.421 1.00 0.00 O ATOM 618 CB ASN A 55 -4.568 10.268 -10.728 1.00 0.00 C ATOM 619 CG ASN A 55 -4.063 11.487 -11.473 1.00 0.00 C ATOM 620 OD1 ASN A 55 -4.607 12.582 -11.336 1.00 0.00 O ATOM 621 ND2 ASN A 55 -3.021 11.311 -12.266 1.00 0.00 N ATOM 0 H ASN A 55 -2.318 9.050 -10.188 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.980 11.081 -8.844 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.374 9.374 -11.321 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.649 10.340 -10.605 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.641 12.099 -12.791 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.597 10.387 -12.353 1.00 0.00 H new ATOM 628 N THR A 56 -3.844 8.193 -7.932 1.00 0.00 N ATOM 629 CA THR A 56 -4.393 7.132 -7.121 1.00 0.00 C ATOM 630 C THR A 56 -4.302 7.543 -5.679 1.00 0.00 C ATOM 631 O THR A 56 -3.378 8.267 -5.336 1.00 0.00 O ATOM 632 CB THR A 56 -3.620 5.821 -7.317 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.307 5.935 -6.748 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.491 5.511 -8.786 1.00 0.00 C ATOM 0 H THR A 56 -2.826 8.193 -7.997 1.00 0.00 H new ATOM 0 HA THR A 56 -5.428 6.963 -7.417 1.00 0.00 H new ATOM 0 HB THR A 56 -4.167 5.019 -6.821 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.666 6.174 -7.450 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.941 4.579 -8.914 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.484 5.410 -9.225 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.955 6.320 -9.283 1.00 0.00 H new ATOM 642 N PRO A 57 -5.220 7.109 -4.813 1.00 0.00 N ATOM 643 CA PRO A 57 -5.242 7.555 -3.420 1.00 0.00 C ATOM 644 C PRO A 57 -3.860 7.454 -2.782 1.00 0.00 C ATOM 645 O PRO A 57 -3.438 8.336 -2.032 1.00 0.00 O ATOM 646 CB PRO A 57 -6.214 6.583 -2.741 1.00 0.00 C ATOM 647 CG PRO A 57 -6.470 5.499 -3.741 1.00 0.00 C ATOM 648 CD PRO A 57 -6.271 6.124 -5.088 1.00 0.00 C ATOM 0 HA PRO A 57 -5.540 8.599 -3.325 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.785 6.177 -1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.140 7.086 -2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.786 4.663 -3.594 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.481 5.105 -3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.961 5.394 -5.835 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.182 6.592 -5.459 1.00 0.00 H new ATOM 656 N ALA A 58 -3.158 6.381 -3.135 1.00 0.00 N ATOM 657 CA ALA A 58 -1.798 6.137 -2.668 1.00 0.00 C ATOM 658 C ALA A 58 -0.864 7.300 -2.990 1.00 0.00 C ATOM 659 O ALA A 58 -0.277 7.889 -2.086 1.00 0.00 O ATOM 660 CB ALA A 58 -1.260 4.858 -3.277 1.00 0.00 C ATOM 0 H ALA A 58 -3.518 5.655 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.838 6.038 -1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.244 4.685 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.894 4.021 -2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.254 4.947 -4.363 1.00 0.00 H new ATOM 666 N ALA A 59 -0.718 7.633 -4.267 1.00 0.00 N ATOM 667 CA ALA A 59 0.153 8.740 -4.653 1.00 0.00 C ATOM 668 C ALA A 59 -0.481 10.067 -4.267 1.00 0.00 C ATOM 669 O ALA A 59 0.127 10.897 -3.588 1.00 0.00 O ATOM 670 CB ALA A 59 0.407 8.723 -6.143 1.00 0.00 C ATOM 0 H ALA A 59 -1.183 7.162 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 59 1.101 8.624 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.058 9.555 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.886 7.784 -6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.540 8.817 -6.675 1.00 0.00 H new ATOM 676 N LEU A 60 -1.712 10.223 -4.723 1.00 0.00 N ATOM 677 CA LEU A 60 -2.525 11.416 -4.524 1.00 0.00 C ATOM 678 C LEU A 60 -2.473 11.931 -3.082 1.00 0.00 C ATOM 679 O LEU A 60 -1.837 12.949 -2.794 1.00 0.00 O ATOM 680 CB LEU A 60 -3.959 11.011 -4.881 1.00 0.00 C ATOM 681 CG LEU A 60 -4.953 12.107 -5.270 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.186 13.089 -4.132 1.00 0.00 C ATOM 683 CD2 LEU A 60 -4.487 12.825 -6.524 1.00 0.00 C ATOM 0 H LEU A 60 -2.191 9.500 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.151 12.229 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.907 10.302 -5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.374 10.475 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.909 11.628 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.898 13.851 -4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.585 12.557 -3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.243 13.564 -3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.205 13.601 -6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.513 13.279 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.408 12.111 -7.344 1.00 0.00 H new ATOM 695 N ASP A 61 -3.154 11.227 -2.191 1.00 0.00 N ATOM 696 CA ASP A 61 -3.291 11.662 -0.807 1.00 0.00 C ATOM 697 C ASP A 61 -2.249 11.014 0.089 1.00 0.00 C ATOM 698 O ASP A 61 -1.738 11.634 1.023 1.00 0.00 O ATOM 699 CB ASP A 61 -4.698 11.344 -0.297 1.00 0.00 C ATOM 700 CG ASP A 61 -4.949 11.883 1.097 1.00 0.00 C ATOM 701 OD1 ASP A 61 -5.254 13.087 1.224 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.864 11.108 2.072 1.00 0.00 O ATOM 0 H ASP A 61 -3.624 10.346 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.130 12.740 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.433 11.765 -0.983 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.845 10.264 -0.297 1.00 0.00 H new ATOM 707 N GLY A 62 -1.929 9.767 -0.218 1.00 0.00 N ATOM 708 CA GLY A 62 -1.145 8.949 0.697 1.00 0.00 C ATOM 709 C GLY A 62 0.324 9.305 0.745 1.00 0.00 C ATOM 710 O GLY A 62 0.970 9.122 1.773 1.00 0.00 O ATOM 0 H GLY A 62 -2.196 9.301 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.563 9.043 1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.244 7.903 0.407 1.00 0.00 H new ATOM 714 N THR A 63 0.845 9.771 -0.384 1.00 0.00 N ATOM 715 CA THR A 63 2.254 10.168 -0.534 1.00 0.00 C ATOM 716 C THR A 63 3.171 8.959 -0.397 1.00 0.00 C ATOM 717 O THR A 63 4.386 9.080 -0.229 1.00 0.00 O ATOM 718 CB THR A 63 2.671 11.289 0.454 1.00 0.00 C ATOM 719 OG1 THR A 63 2.848 10.787 1.788 1.00 0.00 O ATOM 720 CG2 THR A 63 1.613 12.371 0.468 1.00 0.00 C ATOM 0 H THR A 63 0.299 9.888 -1.237 1.00 0.00 H new ATOM 0 HA THR A 63 2.359 10.581 -1.537 1.00 0.00 H new ATOM 0 HB THR A 63 3.625 11.692 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.428 9.905 1.864 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.907 13.158 1.162 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.508 12.790 -0.533 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.661 11.945 0.784 1.00 0.00 H new ATOM 728 N VAL A 64 2.561 7.791 -0.496 1.00 0.00 N ATOM 729 CA VAL A 64 3.278 6.518 -0.481 1.00 0.00 C ATOM 730 C VAL A 64 3.751 6.163 -1.864 1.00 0.00 C ATOM 731 O VAL A 64 3.480 5.091 -2.406 1.00 0.00 O ATOM 732 CB VAL A 64 2.457 5.386 0.127 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.430 5.601 1.609 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.047 5.344 -0.442 1.00 0.00 C ATOM 0 H VAL A 64 1.550 7.693 -0.590 1.00 0.00 H new ATOM 0 HA VAL A 64 4.147 6.648 0.164 1.00 0.00 H new ATOM 0 HB VAL A 64 2.912 4.426 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.850 4.808 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.448 5.586 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.972 6.566 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.494 4.524 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.541 6.286 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.094 5.192 -1.520 1.00 0.00 H new ATOM 744 N ALA A 65 4.455 7.106 -2.416 1.00 0.00 N ATOM 745 CA ALA A 65 4.886 7.049 -3.798 1.00 0.00 C ATOM 746 C ALA A 65 6.181 6.260 -3.932 1.00 0.00 C ATOM 747 O ALA A 65 6.752 5.823 -2.931 1.00 0.00 O ATOM 748 CB ALA A 65 5.059 8.459 -4.347 1.00 0.00 C ATOM 0 H ALA A 65 4.753 7.948 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 65 4.120 6.535 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.383 8.408 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.109 8.991 -4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.808 8.989 -3.759 1.00 0.00 H new ATOM 754 N ALA A 66 6.632 6.079 -5.169 1.00 0.00 N ATOM 755 CA ALA A 66 7.838 5.310 -5.449 1.00 0.00 C ATOM 756 C ALA A 66 9.031 5.887 -4.699 1.00 0.00 C ATOM 757 O ALA A 66 9.576 6.927 -5.075 1.00 0.00 O ATOM 758 CB ALA A 66 8.107 5.281 -6.945 1.00 0.00 C ATOM 0 H ALA A 66 6.176 6.458 -5.999 1.00 0.00 H new ATOM 0 HA ALA A 66 7.685 4.287 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.010 4.704 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.263 4.819 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.241 6.299 -7.310 1.00 0.00 H new ATOM 764 N GLY A 67 9.424 5.208 -3.635 1.00 0.00 N ATOM 765 CA GLY A 67 10.483 5.706 -2.788 1.00 0.00 C ATOM 766 C GLY A 67 10.192 5.472 -1.321 1.00 0.00 C ATOM 767 O GLY A 67 11.065 5.663 -0.472 1.00 0.00 O ATOM 0 H GLY A 67 9.026 4.316 -3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.420 5.218 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.618 6.773 -2.965 1.00 0.00 H new ATOM 771 N ASP A 68 8.965 5.062 -1.019 1.00 0.00 N ATOM 772 CA ASP A 68 8.582 4.759 0.357 1.00 0.00 C ATOM 773 C ASP A 68 8.872 3.297 0.659 1.00 0.00 C ATOM 774 O ASP A 68 9.090 2.503 -0.257 1.00 0.00 O ATOM 775 CB ASP A 68 7.095 5.033 0.581 1.00 0.00 C ATOM 776 CG ASP A 68 6.788 5.446 2.004 1.00 0.00 C ATOM 777 OD1 ASP A 68 6.724 4.574 2.887 1.00 0.00 O ATOM 778 OD2 ASP A 68 6.617 6.655 2.256 1.00 0.00 O ATOM 0 H ASP A 68 8.221 4.932 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 68 9.161 5.399 1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.767 5.818 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.523 4.138 0.335 1.00 0.00 H new ATOM 783 N GLU A 69 8.872 2.940 1.930 1.00 0.00 N ATOM 784 CA GLU A 69 9.087 1.558 2.322 1.00 0.00 C ATOM 785 C GLU A 69 7.785 0.947 2.822 1.00 0.00 C ATOM 786 O GLU A 69 7.064 1.570 3.606 1.00 0.00 O ATOM 787 CB GLU A 69 10.169 1.455 3.399 1.00 0.00 C ATOM 788 CG GLU A 69 11.591 1.390 2.862 1.00 0.00 C ATOM 789 CD GLU A 69 12.023 2.646 2.139 1.00 0.00 C ATOM 790 OE1 GLU A 69 12.036 3.726 2.767 1.00 0.00 O ATOM 791 OE2 GLU A 69 12.388 2.555 0.950 1.00 0.00 O ATOM 0 H GLU A 69 8.726 3.585 2.707 1.00 0.00 H new ATOM 0 HA GLU A 69 9.427 1.004 1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.084 2.314 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.981 0.566 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.275 1.204 3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.675 0.542 2.182 1.00 0.00 H new ATOM 798 N ILE A 70 7.489 -0.273 2.371 1.00 0.00 N ATOM 799 CA ILE A 70 6.248 -0.958 2.738 1.00 0.00 C ATOM 800 C ILE A 70 6.574 -2.306 3.390 1.00 0.00 C ATOM 801 O ILE A 70 7.236 -3.142 2.778 1.00 0.00 O ATOM 802 CB ILE A 70 5.349 -1.230 1.505 1.00 0.00 C ATOM 803 CG1 ILE A 70 5.402 -0.079 0.487 1.00 0.00 C ATOM 804 CG2 ILE A 70 3.913 -1.485 1.945 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.806 1.224 0.969 1.00 0.00 C ATOM 0 H ILE A 70 8.094 -0.809 1.749 1.00 0.00 H new ATOM 0 HA ILE A 70 5.714 -0.305 3.428 1.00 0.00 H new ATOM 0 HB ILE A 70 5.735 -2.120 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.442 0.094 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.879 -0.389 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.292 -1.675 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.883 -2.352 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.534 -0.611 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.889 1.975 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.755 1.074 1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.343 1.564 1.854 1.00 0.00 H new ATOM 817 N THR A 71 6.110 -2.522 4.622 1.00 0.00 N ATOM 818 CA THR A 71 6.437 -3.748 5.350 1.00 0.00 C ATOM 819 C THR A 71 5.189 -4.415 5.921 1.00 0.00 C ATOM 820 O THR A 71 5.245 -5.548 6.402 1.00 0.00 O ATOM 821 CB THR A 71 7.454 -3.485 6.494 1.00 0.00 C ATOM 822 OG1 THR A 71 7.990 -4.724 6.976 1.00 0.00 O ATOM 823 CG2 THR A 71 6.818 -2.721 7.655 1.00 0.00 C ATOM 0 H THR A 71 5.513 -1.871 5.132 1.00 0.00 H new ATOM 0 HA THR A 71 6.894 -4.422 4.625 1.00 0.00 H new ATOM 0 HB THR A 71 8.255 -2.872 6.081 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.296 -5.415 6.943 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.562 -2.557 8.434 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.448 -1.760 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.989 -3.301 8.061 1.00 0.00 H new ATOM 831 N GLY A 72 4.060 -3.726 5.875 1.00 0.00 N ATOM 832 CA GLY A 72 2.847 -4.318 6.384 1.00 0.00 C ATOM 833 C GLY A 72 1.595 -3.747 5.778 1.00 0.00 C ATOM 834 O GLY A 72 1.554 -2.588 5.361 1.00 0.00 O ATOM 0 H GLY A 72 3.964 -2.782 5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.872 -5.392 6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.812 -4.181 7.465 1.00 0.00 H new ATOM 838 N VAL A 73 0.578 -4.586 5.739 1.00 0.00 N ATOM 839 CA VAL A 73 -0.717 -4.235 5.218 1.00 0.00 C ATOM 840 C VAL A 73 -1.738 -4.348 6.322 1.00 0.00 C ATOM 841 O VAL A 73 -1.585 -5.176 7.217 1.00 0.00 O ATOM 842 CB VAL A 73 -1.127 -5.183 4.078 1.00 0.00 C ATOM 843 CG1 VAL A 73 0.002 -5.323 3.099 1.00 0.00 C ATOM 844 CG2 VAL A 73 -1.528 -6.557 4.600 1.00 0.00 C ATOM 0 H VAL A 73 0.636 -5.547 6.076 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.669 -3.216 4.833 1.00 0.00 H new ATOM 0 HB VAL A 73 -1.995 -4.748 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.295 -5.996 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.246 -4.346 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.876 -5.730 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.810 -7.196 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.687 -7.004 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.374 -6.455 5.280 1.00 0.00 H new ATOM 854 N ASN A 74 -2.753 -3.507 6.289 1.00 0.00 N ATOM 855 CA ASN A 74 -3.878 -3.649 7.205 1.00 0.00 C ATOM 856 C ASN A 74 -3.406 -3.525 8.659 1.00 0.00 C ATOM 857 O ASN A 74 -4.077 -3.964 9.590 1.00 0.00 O ATOM 858 CB ASN A 74 -4.537 -5.011 6.960 1.00 0.00 C ATOM 859 CG ASN A 74 -5.970 -5.074 7.425 1.00 0.00 C ATOM 860 OD1 ASN A 74 -6.259 -5.440 8.565 1.00 0.00 O ATOM 861 ND2 ASN A 74 -6.879 -4.732 6.545 1.00 0.00 N ATOM 0 H ASN A 74 -2.826 -2.721 5.643 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.604 -2.855 7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.498 -5.239 5.895 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.962 -5.782 7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.868 -4.763 6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.598 -4.434 5.611 1.00 0.00 H new ATOM 868 N GLY A 75 -2.229 -2.931 8.835 1.00 0.00 N ATOM 869 CA GLY A 75 -1.669 -2.754 10.159 1.00 0.00 C ATOM 870 C GLY A 75 -0.702 -3.860 10.551 1.00 0.00 C ATOM 871 O GLY A 75 -0.001 -3.741 11.553 1.00 0.00 O ATOM 0 H GLY A 75 -1.651 -2.568 8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.152 -1.795 10.203 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.479 -2.713 10.887 1.00 0.00 H new ATOM 875 N ARG A 76 -0.650 -4.928 9.762 1.00 0.00 N ATOM 876 CA ARG A 76 0.144 -6.087 10.098 1.00 0.00 C ATOM 877 C ARG A 76 1.181 -6.381 9.014 1.00 0.00 C ATOM 878 O ARG A 76 0.917 -6.194 7.830 1.00 0.00 O ATOM 879 CB ARG A 76 -0.797 -7.266 10.281 1.00 0.00 C ATOM 880 CG ARG A 76 -1.670 -7.545 9.072 1.00 0.00 C ATOM 881 CD ARG A 76 -2.966 -8.231 9.466 1.00 0.00 C ATOM 882 NE ARG A 76 -3.831 -7.343 10.241 1.00 0.00 N ATOM 883 CZ ARG A 76 -4.914 -7.746 10.901 1.00 0.00 C ATOM 884 NH1 ARG A 76 -5.259 -9.028 10.906 1.00 0.00 N ATOM 885 NH2 ARG A 76 -5.648 -6.863 11.562 1.00 0.00 N ATOM 0 H ARG A 76 -1.156 -5.007 8.880 1.00 0.00 H new ATOM 0 HA ARG A 76 0.695 -5.901 11.020 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.210 -8.156 10.507 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.436 -7.078 11.144 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.894 -6.609 8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.126 -8.172 8.366 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.491 -8.560 8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.743 -9.124 10.050 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.589 -6.353 10.278 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.693 -9.710 10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.090 -9.330 11.414 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.382 -5.878 11.564 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.479 -7.168 12.069 1.00 0.00 H new ATOM 899 N SER A 77 2.357 -6.835 9.434 1.00 0.00 N ATOM 900 CA SER A 77 3.460 -7.140 8.519 1.00 0.00 C ATOM 901 C SER A 77 3.015 -8.082 7.397 1.00 0.00 C ATOM 902 O SER A 77 2.185 -8.967 7.610 1.00 0.00 O ATOM 903 CB SER A 77 4.597 -7.788 9.309 1.00 0.00 C ATOM 904 OG SER A 77 4.909 -7.028 10.467 1.00 0.00 O ATOM 0 H SER A 77 2.576 -7.003 10.416 1.00 0.00 H new ATOM 0 HA SER A 77 3.796 -6.209 8.062 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.313 -8.800 9.599 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.481 -7.874 8.677 1.00 0.00 H new ATOM 0 HG SER A 77 5.638 -7.463 10.957 1.00 0.00 H new ATOM 910 N ILE A 78 3.597 -7.909 6.205 1.00 0.00 N ATOM 911 CA ILE A 78 3.206 -8.690 5.039 1.00 0.00 C ATOM 912 C ILE A 78 3.791 -10.089 5.155 1.00 0.00 C ATOM 913 O ILE A 78 3.419 -11.007 4.427 1.00 0.00 O ATOM 914 CB ILE A 78 3.729 -8.075 3.723 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.207 -8.417 3.508 1.00 0.00 C ATOM 916 CG2 ILE A 78 3.520 -6.570 3.704 1.00 0.00 C ATOM 917 CD1 ILE A 78 6.184 -7.631 4.360 1.00 0.00 C ATOM 0 H ILE A 78 4.340 -7.233 6.028 1.00 0.00 H new ATOM 0 HA ILE A 78 2.116 -8.706 5.012 1.00 0.00 H new ATOM 0 HB ILE A 78 3.156 -8.508 2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.350 -9.479 3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.452 -8.253 2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.897 -6.162 2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.456 -6.349 3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.056 -6.118 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.202 -7.948 4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.079 -6.567 4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.975 -7.812 5.414 1.00 0.00 H new ATOM 929 N LYS A 79 4.720 -10.205 6.097 1.00 0.00 N ATOM 930 CA LYS A 79 5.545 -11.386 6.296 1.00 0.00 C ATOM 931 C LYS A 79 4.706 -12.633 6.569 1.00 0.00 C ATOM 932 O LYS A 79 5.192 -13.757 6.440 1.00 0.00 O ATOM 933 CB LYS A 79 6.501 -11.100 7.454 1.00 0.00 C ATOM 934 CG LYS A 79 7.403 -12.262 7.848 1.00 0.00 C ATOM 935 CD LYS A 79 8.053 -12.024 9.203 1.00 0.00 C ATOM 936 CE LYS A 79 8.802 -10.700 9.249 1.00 0.00 C ATOM 937 NZ LYS A 79 9.202 -10.339 10.633 1.00 0.00 N ATOM 0 H LYS A 79 4.924 -9.458 6.761 1.00 0.00 H new ATOM 0 HA LYS A 79 6.105 -11.594 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.127 -10.249 7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.915 -10.804 8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.821 -13.183 7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.175 -12.398 7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.288 -12.035 9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.743 -12.839 9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.689 -10.763 8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.173 -9.912 8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.709 -9.431 10.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.354 -10.254 11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.823 -11.078 11.019 1.00 0.00 H new ATOM 951 N GLY A 80 3.446 -12.435 6.937 1.00 0.00 N ATOM 952 CA GLY A 80 2.543 -13.554 7.105 1.00 0.00 C ATOM 953 C GLY A 80 2.341 -14.320 5.811 1.00 0.00 C ATOM 954 O GLY A 80 2.044 -15.513 5.827 1.00 0.00 O ATOM 0 H GLY A 80 3.035 -11.520 7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.937 -14.227 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.580 -13.192 7.466 1.00 0.00 H new ATOM 958 N LYS A 81 2.503 -13.629 4.685 1.00 0.00 N ATOM 959 CA LYS A 81 2.374 -14.250 3.377 1.00 0.00 C ATOM 960 C LYS A 81 3.404 -13.678 2.390 1.00 0.00 C ATOM 961 O LYS A 81 4.608 -13.776 2.625 1.00 0.00 O ATOM 962 CB LYS A 81 0.939 -14.093 2.840 1.00 0.00 C ATOM 963 CG LYS A 81 0.421 -12.653 2.772 1.00 0.00 C ATOM 964 CD LYS A 81 0.112 -12.074 4.141 1.00 0.00 C ATOM 965 CE LYS A 81 -0.930 -12.917 4.865 1.00 0.00 C ATOM 966 NZ LYS A 81 -1.479 -12.234 6.060 1.00 0.00 N ATOM 0 H LYS A 81 2.725 -12.634 4.657 1.00 0.00 H new ATOM 0 HA LYS A 81 2.578 -15.315 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.893 -14.526 1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.267 -14.674 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.164 -12.027 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.480 -12.624 2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.025 -12.028 4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.251 -11.052 4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.743 -13.152 4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.482 -13.864 5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.079 -12.895 6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.697 -11.911 6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.046 -11.415 5.762 1.00 0.00 H new ATOM 980 N THR A 82 2.928 -13.079 1.302 1.00 0.00 N ATOM 981 CA THR A 82 3.793 -12.486 0.298 1.00 0.00 C ATOM 982 C THR A 82 3.006 -11.445 -0.496 1.00 0.00 C ATOM 983 O THR A 82 1.797 -11.298 -0.302 1.00 0.00 O ATOM 984 CB THR A 82 4.382 -13.563 -0.649 1.00 0.00 C ATOM 985 OG1 THR A 82 5.385 -12.991 -1.504 1.00 0.00 O ATOM 986 CG2 THR A 82 3.295 -14.201 -1.497 1.00 0.00 C ATOM 0 H THR A 82 1.933 -12.993 1.096 1.00 0.00 H new ATOM 0 HA THR A 82 4.631 -12.003 0.801 1.00 0.00 H new ATOM 0 HB THR A 82 4.837 -14.334 -0.027 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.747 -13.685 -2.094 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.738 -14.952 -2.151 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.558 -14.674 -0.848 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.808 -13.435 -2.101 1.00 0.00 H new ATOM 994 N LYS A 83 3.698 -10.741 -1.381 1.00 0.00 N ATOM 995 CA LYS A 83 3.135 -9.643 -2.162 1.00 0.00 C ATOM 996 C LYS A 83 1.787 -9.976 -2.807 1.00 0.00 C ATOM 997 O LYS A 83 0.793 -9.304 -2.545 1.00 0.00 O ATOM 998 CB LYS A 83 4.126 -9.252 -3.244 1.00 0.00 C ATOM 999 CG LYS A 83 5.227 -10.285 -3.425 1.00 0.00 C ATOM 1000 CD LYS A 83 5.905 -10.155 -4.765 1.00 0.00 C ATOM 1001 CE LYS A 83 6.525 -8.788 -4.953 1.00 0.00 C ATOM 1002 NZ LYS A 83 7.032 -8.628 -6.328 1.00 0.00 N ATOM 0 H LYS A 83 4.682 -10.918 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 83 2.953 -8.821 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.596 -9.121 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.572 -8.290 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.966 -10.171 -2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.806 -11.286 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.677 -10.919 -4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.180 -10.337 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.785 -8.016 -4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.340 -8.652 -4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.453 -7.683 -6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.754 -9.352 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.247 -8.736 -7.002 1.00 0.00 H new ATOM 1016 N VAL A 84 1.753 -10.993 -3.661 1.00 0.00 N ATOM 1017 CA VAL A 84 0.555 -11.327 -4.401 1.00 0.00 C ATOM 1018 C VAL A 84 -0.647 -11.540 -3.472 1.00 0.00 C ATOM 1019 O VAL A 84 -1.781 -11.179 -3.799 1.00 0.00 O ATOM 1020 CB VAL A 84 0.806 -12.574 -5.268 1.00 0.00 C ATOM 1021 CG1 VAL A 84 1.293 -13.739 -4.429 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -0.441 -12.946 -6.017 1.00 0.00 C ATOM 0 H VAL A 84 2.550 -11.600 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 84 0.312 -10.486 -5.050 1.00 0.00 H new ATOM 0 HB VAL A 84 1.589 -12.334 -5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.461 -14.604 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.226 -13.467 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.543 -13.985 -3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.250 -13.829 -6.626 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.241 -13.160 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.739 -12.119 -6.661 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.379 -12.088 -2.298 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.411 -12.358 -1.316 1.00 0.00 C ATOM 1034 C GLU A 85 -1.817 -11.096 -0.558 1.00 0.00 C ATOM 1035 O GLU A 85 -2.983 -10.926 -0.207 1.00 0.00 O ATOM 1036 CB GLU A 85 -0.914 -13.414 -0.335 1.00 0.00 C ATOM 1037 CG GLU A 85 -0.468 -14.697 -1.008 1.00 0.00 C ATOM 1038 CD GLU A 85 -0.100 -15.779 -0.015 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -0.968 -16.182 0.789 1.00 0.00 O ATOM 1040 OE2 GLU A 85 1.059 -16.243 -0.040 1.00 0.00 O ATOM 0 H GLU A 85 0.559 -12.357 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.292 -12.723 -1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.082 -13.004 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.709 -13.642 0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.266 -15.060 -1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.390 -14.488 -1.647 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.865 -10.209 -0.304 1.00 0.00 N ATOM 1048 CA VAL A 86 -1.157 -8.997 0.454 1.00 0.00 C ATOM 1049 C VAL A 86 -1.953 -7.997 -0.375 1.00 0.00 C ATOM 1050 O VAL A 86 -2.840 -7.324 0.141 1.00 0.00 O ATOM 1051 CB VAL A 86 0.104 -8.318 1.012 1.00 0.00 C ATOM 1052 CG1 VAL A 86 0.828 -9.247 1.963 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.045 -7.858 -0.083 1.00 0.00 C ATOM 0 H VAL A 86 0.105 -10.302 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.760 -9.321 1.302 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.225 -7.430 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.718 -8.751 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.169 -9.506 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.119 -10.155 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.920 -7.385 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.360 -8.716 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.533 -7.141 -0.725 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.614 -7.894 -1.649 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.433 -7.144 -2.606 1.00 0.00 C ATOM 1065 C ALA A 87 -3.874 -7.631 -2.552 1.00 0.00 C ATOM 1066 O ALA A 87 -4.814 -6.844 -2.690 1.00 0.00 O ATOM 1067 CB ALA A 87 -1.898 -7.288 -4.016 1.00 0.00 C ATOM 0 H ALA A 87 -0.778 -8.318 -2.052 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.393 -6.090 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.526 -6.721 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.878 -6.907 -4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.905 -8.340 -4.302 1.00 0.00 H new ATOM 1073 N LYS A 88 -4.045 -8.937 -2.351 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.367 -9.495 -2.153 1.00 0.00 C ATOM 1075 C LYS A 88 -5.971 -8.959 -0.870 1.00 0.00 C ATOM 1076 O LYS A 88 -7.084 -8.475 -0.878 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.338 -11.013 -2.103 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.702 -11.607 -1.846 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.700 -13.097 -2.118 1.00 0.00 C ATOM 1080 CE LYS A 88 -8.100 -13.691 -2.068 1.00 0.00 C ATOM 1081 NZ LYS A 88 -8.692 -13.630 -0.706 1.00 0.00 N ATOM 0 H LYS A 88 -3.286 -9.618 -2.322 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.979 -9.196 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.949 -11.397 -3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.651 -11.335 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.995 -11.422 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.442 -11.118 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.262 -13.285 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.068 -13.598 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.744 -13.156 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.064 -14.729 -2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.279 -14.473 -0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.931 -13.597 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.281 -12.777 -0.621 1.00 0.00 H new ATOM 1095 N MET A 89 -5.216 -9.033 0.223 1.00 0.00 N ATOM 1096 CA MET A 89 -5.652 -8.547 1.509 1.00 0.00 C ATOM 1097 C MET A 89 -6.098 -7.097 1.427 1.00 0.00 C ATOM 1098 O MET A 89 -7.132 -6.716 1.975 1.00 0.00 O ATOM 1099 CB MET A 89 -4.508 -8.674 2.483 1.00 0.00 C ATOM 1100 CG MET A 89 -4.126 -10.102 2.819 1.00 0.00 C ATOM 1101 SD MET A 89 -2.850 -10.187 4.092 1.00 0.00 S ATOM 1102 CE MET A 89 -3.681 -9.384 5.463 1.00 0.00 C ATOM 0 H MET A 89 -4.279 -9.437 0.231 1.00 0.00 H new ATOM 0 HA MET A 89 -6.504 -9.139 1.842 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.637 -8.166 2.070 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.772 -8.155 3.404 1.00 0.00 H new ATOM 0 HG2 MET A 89 -5.010 -10.642 3.157 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.771 -10.603 1.918 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.193 -9.662 6.397 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.631 -8.303 5.335 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.724 -9.699 5.491 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.298 -6.299 0.734 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.607 -4.902 0.504 1.00 0.00 C ATOM 1114 C ILE A 90 -6.979 -4.755 -0.146 1.00 0.00 C ATOM 1115 O ILE A 90 -7.858 -4.094 0.404 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.526 -4.235 -0.380 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.199 -4.131 0.384 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.970 -2.862 -0.871 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -3.277 -3.284 1.639 1.00 0.00 C ATOM 0 H ILE A 90 -4.419 -6.605 0.317 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.621 -4.399 1.471 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.379 -4.866 -1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.867 -5.133 0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.442 -3.712 -0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.185 -2.425 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.881 -2.964 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.162 -2.214 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.300 -3.259 2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.577 -2.270 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.009 -3.713 2.323 1.00 0.00 H new ATOM 1131 N GLN A 91 -7.179 -5.393 -1.294 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.428 -5.248 -2.021 1.00 0.00 C ATOM 1133 C GLN A 91 -9.561 -6.054 -1.375 1.00 0.00 C ATOM 1134 O GLN A 91 -10.733 -5.730 -1.552 1.00 0.00 O ATOM 1135 CB GLN A 91 -8.226 -5.659 -3.477 1.00 0.00 C ATOM 1136 CG GLN A 91 -8.032 -7.146 -3.678 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.547 -7.482 -5.071 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -8.346 -7.709 -5.982 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -6.237 -7.504 -5.252 1.00 0.00 N ATOM 0 H GLN A 91 -6.497 -6.010 -1.736 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.725 -4.200 -1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.089 -5.334 -4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -7.358 -5.133 -3.875 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.314 -7.518 -2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.974 -7.661 -3.490 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.611 -7.310 -4.470 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.853 -7.715 -6.173 1.00 0.00 H new ATOM 1148 N GLU A 92 -9.200 -7.080 -0.610 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.162 -7.952 0.058 1.00 0.00 C ATOM 1150 C GLU A 92 -11.063 -7.156 0.988 1.00 0.00 C ATOM 1151 O GLU A 92 -12.287 -7.268 0.932 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.417 -9.024 0.860 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.313 -9.936 1.667 1.00 0.00 C ATOM 1154 CD GLU A 92 -10.852 -11.088 0.852 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -11.832 -10.890 0.102 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -10.294 -12.200 0.958 1.00 0.00 O ATOM 0 H GLU A 92 -8.227 -7.331 -0.435 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.782 -8.425 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.827 -9.630 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.716 -8.533 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.756 -10.327 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.146 -9.359 2.069 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.444 -6.349 1.838 1.00 0.00 N ATOM 1164 CA VAL A 93 -11.182 -5.548 2.806 1.00 0.00 C ATOM 1165 C VAL A 93 -12.146 -4.593 2.103 1.00 0.00 C ATOM 1166 O VAL A 93 -13.209 -4.274 2.635 1.00 0.00 O ATOM 1167 CB VAL A 93 -10.230 -4.761 3.737 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -9.228 -5.709 4.375 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -9.509 -3.644 2.993 1.00 0.00 C ATOM 0 H VAL A 93 -9.432 -6.231 1.877 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.761 -6.236 3.422 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.832 -4.296 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.561 -5.147 5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.759 -6.461 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.644 -6.199 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.850 -3.115 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.920 -4.069 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.241 -2.948 2.584 1.00 0.00 H new ATOM 1179 N LYS A 94 -11.768 -4.180 0.885 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.572 -3.280 0.051 1.00 0.00 C ATOM 1181 C LYS A 94 -12.749 -1.901 0.699 1.00 0.00 C ATOM 1182 O LYS A 94 -12.828 -1.772 1.918 1.00 0.00 O ATOM 1183 CB LYS A 94 -13.939 -3.909 -0.249 1.00 0.00 C ATOM 1184 CG LYS A 94 -14.749 -3.153 -1.289 1.00 0.00 C ATOM 1185 CD LYS A 94 -16.055 -3.862 -1.614 1.00 0.00 C ATOM 1186 CE LYS A 94 -17.040 -3.813 -0.456 1.00 0.00 C ATOM 1187 NZ LYS A 94 -17.465 -2.422 -0.141 1.00 0.00 N ATOM 0 H LYS A 94 -10.890 -4.464 0.450 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.033 -3.134 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.790 -4.933 -0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.514 -3.964 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.962 -2.148 -0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.159 -3.043 -2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.507 -3.402 -2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.848 -4.901 -1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -17.917 -4.413 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -16.584 -4.261 0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -18.299 -2.446 0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.690 -1.923 0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -17.704 -1.924 -1.022 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.747 -0.860 -0.122 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.108 0.458 0.367 1.00 0.00 C ATOM 1203 C GLY A 95 -11.941 1.243 0.935 1.00 0.00 C ATOM 1204 O GLY A 95 -11.733 2.394 0.566 1.00 0.00 O ATOM 0 H GLY A 95 -12.504 -0.902 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.554 1.028 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.872 0.352 1.137 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.157 0.625 1.808 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.098 1.329 2.490 1.00 0.00 C ATOM 1210 C GLU A 96 -8.785 0.590 2.318 1.00 0.00 C ATOM 1211 O GLU A 96 -8.741 -0.504 1.752 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.410 1.458 3.976 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.273 0.142 4.708 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.395 0.272 6.212 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -9.375 0.563 6.873 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -11.509 0.070 6.742 1.00 0.00 O ATOM 0 H GLU A 96 -11.240 -0.361 2.055 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.017 2.325 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.739 2.191 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.425 1.836 4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.037 -0.546 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.306 -0.300 4.467 1.00 0.00 H new ATOM 1223 N VAL A 97 -7.733 1.191 2.825 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.388 0.620 2.771 1.00 0.00 C ATOM 1225 C VAL A 97 -5.598 1.039 4.006 1.00 0.00 C ATOM 1226 O VAL A 97 -5.912 2.053 4.634 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.589 1.075 1.523 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.374 0.863 0.244 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.171 2.529 1.653 1.00 0.00 C ATOM 0 H VAL A 97 -7.777 2.097 3.292 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.516 -0.461 2.724 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.694 0.456 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.779 1.194 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.609 -0.196 0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.299 1.437 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.612 2.827 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.058 3.155 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.543 2.650 2.536 1.00 0.00 H new ATOM 1239 N THR A 98 -4.597 0.257 4.374 1.00 0.00 N ATOM 1240 CA THR A 98 -3.696 0.650 5.440 1.00 0.00 C ATOM 1241 C THR A 98 -2.256 0.226 5.133 1.00 0.00 C ATOM 1242 O THR A 98 -1.888 -0.934 5.322 1.00 0.00 O ATOM 1243 CB THR A 98 -4.141 0.052 6.784 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.571 0.106 6.886 1.00 0.00 O ATOM 1245 CG2 THR A 98 -3.532 0.829 7.934 1.00 0.00 C ATOM 0 H THR A 98 -4.390 -0.648 3.952 1.00 0.00 H new ATOM 0 HA THR A 98 -3.730 1.737 5.511 1.00 0.00 H new ATOM 0 HB THR A 98 -3.804 -0.984 6.833 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.853 -0.277 7.743 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.856 0.394 8.879 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.445 0.784 7.868 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.856 1.868 7.883 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.450 1.170 4.654 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.033 0.920 4.388 1.00 0.00 C ATOM 1255 C ILE A 99 0.776 1.113 5.660 1.00 0.00 C ATOM 1256 O ILE A 99 0.455 1.979 6.472 1.00 0.00 O ATOM 1257 CB ILE A 99 0.555 1.851 3.297 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.185 3.196 3.254 1.00 0.00 C ATOM 1259 CG2 ILE A 99 0.540 1.179 1.932 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.430 3.196 2.385 1.00 0.00 C ATOM 0 H ILE A 99 -1.754 2.120 4.441 1.00 0.00 H new ATOM 0 HA ILE A 99 0.032 -0.107 4.028 1.00 0.00 H new ATOM 0 HB ILE A 99 1.594 2.050 3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.465 3.476 4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.499 3.962 2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.959 1.857 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 99 1.137 0.267 1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.486 0.931 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.891 4.183 2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.157 2.949 1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.136 2.456 2.761 1.00 0.00 H new ATOM 1272 N HIS A 100 1.815 0.307 5.837 1.00 0.00 N ATOM 1273 CA HIS A 100 2.650 0.396 7.029 1.00 0.00 C ATOM 1274 C HIS A 100 4.105 0.035 6.742 1.00 0.00 C ATOM 1275 O HIS A 100 4.383 -0.977 6.100 1.00 0.00 O ATOM 1276 CB HIS A 100 2.132 -0.544 8.122 1.00 0.00 C ATOM 1277 CG HIS A 100 1.192 0.088 9.102 1.00 0.00 C ATOM 1278 ND1 HIS A 100 1.604 0.603 10.312 1.00 0.00 N ATOM 1279 CD2 HIS A 100 -0.150 0.254 9.066 1.00 0.00 C ATOM 1280 CE1 HIS A 100 0.557 1.054 10.976 1.00 0.00 C ATOM 1281 NE2 HIS A 100 -0.518 0.855 10.241 1.00 0.00 N ATOM 0 H HIS A 100 2.099 -0.413 5.173 1.00 0.00 H new ATOM 0 HA HIS A 100 2.602 1.433 7.361 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.628 -1.386 7.648 1.00 0.00 H new ATOM 0 HB3 HIS A 100 2.985 -0.949 8.667 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.809 -0.034 8.260 1.00 0.00 H new ATOM 0 HE1 HIS A 100 0.578 1.509 11.955 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -1.471 1.108 10.504 1.00 0.00 H new ATOM 1290 N TYR A 101 5.011 0.891 7.202 1.00 0.00 N ATOM 1291 CA TYR A 101 6.429 0.558 7.354 1.00 0.00 C ATOM 1292 C TYR A 101 7.157 1.744 7.947 1.00 0.00 C ATOM 1293 O TYR A 101 6.874 2.154 9.075 1.00 0.00 O ATOM 1294 CB TYR A 101 7.116 0.131 6.041 1.00 0.00 C ATOM 1295 CG TYR A 101 8.521 -0.477 6.197 1.00 0.00 C ATOM 1296 CD1 TYR A 101 9.205 -0.451 7.412 1.00 0.00 C ATOM 1297 CD2 TYR A 101 9.149 -1.097 5.122 1.00 0.00 C ATOM 1298 CE1 TYR A 101 10.460 -1.015 7.545 1.00 0.00 C ATOM 1299 CE2 TYR A 101 10.404 -1.666 5.249 1.00 0.00 C ATOM 1300 CZ TYR A 101 11.054 -1.621 6.461 1.00 0.00 C ATOM 1301 OH TYR A 101 12.301 -2.190 6.594 1.00 0.00 O ATOM 0 H TYR A 101 4.783 1.845 7.483 1.00 0.00 H new ATOM 0 HA TYR A 101 6.478 -0.306 8.017 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.478 -0.595 5.537 1.00 0.00 H new ATOM 0 HB3 TYR A 101 7.186 1.001 5.388 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.744 0.020 8.268 1.00 0.00 H new ATOM 0 HD2 TYR A 101 8.646 -1.135 4.167 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.972 -0.980 8.495 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.871 -2.143 4.400 1.00 0.00 H new ATOM 0 HH TYR A 101 12.577 -2.576 5.737 1.00 0.00 H new ATOM 1311 N ASN A 102 8.055 2.322 7.170 1.00 0.00 N ATOM 1312 CA ASN A 102 8.941 3.334 7.689 1.00 0.00 C ATOM 1313 C ASN A 102 9.783 3.937 6.567 1.00 0.00 C ATOM 1314 O ASN A 102 9.497 3.723 5.385 1.00 0.00 O ATOM 1315 CB ASN A 102 9.807 2.716 8.798 1.00 0.00 C ATOM 1316 CG ASN A 102 10.004 3.687 9.926 1.00 0.00 C ATOM 1317 OD1 ASN A 102 10.954 4.464 9.915 1.00 0.00 O ATOM 1318 ND2 ASN A 102 9.097 3.669 10.889 1.00 0.00 N ATOM 0 H ASN A 102 8.186 2.105 6.182 1.00 0.00 H new ATOM 0 HA ASN A 102 8.364 4.152 8.120 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.333 1.809 9.172 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.775 2.425 8.390 1.00 0.00 H new ATOM 0 HD21 ASN A 102 9.169 4.322 11.670 1.00 0.00 H new ATOM 0 HD22 ASN A 102 8.326 3.003 10.851 1.00 0.00 H new ATOM 1393 N ASP A 107 19.013 -2.036 8.151 1.00 0.00 N ATOM 1394 CA ASP A 107 20.457 -2.229 8.033 1.00 0.00 C ATOM 1395 C ASP A 107 20.778 -3.636 8.483 1.00 0.00 C ATOM 1396 O ASP A 107 20.009 -4.181 9.252 1.00 0.00 O ATOM 1397 CB ASP A 107 21.205 -1.220 8.906 1.00 0.00 C ATOM 1398 CG ASP A 107 21.338 0.149 8.264 1.00 0.00 C ATOM 1399 OD1 ASP A 107 22.060 0.270 7.253 1.00 0.00 O ATOM 1400 OD2 ASP A 107 20.744 1.118 8.782 1.00 0.00 O ATOM 0 HA ASP A 107 20.769 -2.078 7.000 1.00 0.00 H new ATOM 0 HB2 ASP A 107 20.684 -1.118 9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 107 22.199 -1.608 9.127 1.00 0.00 H new ATOM 1405 N PRO A 108 21.928 -4.213 8.073 1.00 0.00 N ATOM 1406 CA PRO A 108 22.223 -5.645 8.217 1.00 0.00 C ATOM 1407 C PRO A 108 21.546 -6.333 9.412 1.00 0.00 C ATOM 1408 O PRO A 108 20.733 -7.232 9.213 1.00 0.00 O ATOM 1409 CB PRO A 108 23.737 -5.638 8.377 1.00 0.00 C ATOM 1410 CG PRO A 108 24.199 -4.508 7.516 1.00 0.00 C ATOM 1411 CD PRO A 108 23.059 -3.515 7.432 1.00 0.00 C ATOM 0 HA PRO A 108 21.843 -6.218 7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 108 24.025 -5.488 9.417 1.00 0.00 H new ATOM 0 HB3 PRO A 108 24.174 -6.584 8.058 1.00 0.00 H new ATOM 0 HG2 PRO A 108 25.087 -4.039 7.940 1.00 0.00 H new ATOM 0 HG3 PRO A 108 24.471 -4.867 6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 108 23.300 -2.586 7.950 1.00 0.00 H new ATOM 0 HD3 PRO A 108 22.833 -3.254 6.398 1.00 0.00 H new ATOM 1419 N LYS A 109 21.829 -5.890 10.638 1.00 0.00 N ATOM 1420 CA LYS A 109 21.246 -6.531 11.823 1.00 0.00 C ATOM 1421 C LYS A 109 19.726 -6.353 11.878 1.00 0.00 C ATOM 1422 O LYS A 109 18.977 -7.314 12.044 1.00 0.00 O ATOM 1423 CB LYS A 109 21.870 -5.989 13.116 1.00 0.00 C ATOM 1424 CG LYS A 109 21.752 -4.481 13.303 1.00 0.00 C ATOM 1425 CD LYS A 109 22.216 -4.063 14.689 1.00 0.00 C ATOM 1426 CE LYS A 109 22.199 -2.552 14.865 1.00 0.00 C ATOM 1427 NZ LYS A 109 20.851 -1.969 14.635 1.00 0.00 N ATOM 0 H LYS A 109 22.447 -5.104 10.838 1.00 0.00 H new ATOM 0 HA LYS A 109 21.468 -7.595 11.739 1.00 0.00 H new ATOM 0 HB2 LYS A 109 21.398 -6.484 13.965 1.00 0.00 H new ATOM 0 HB3 LYS A 109 22.925 -6.261 13.135 1.00 0.00 H new ATOM 0 HG2 LYS A 109 22.348 -3.970 12.547 1.00 0.00 H new ATOM 0 HG3 LYS A 109 20.717 -4.173 13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 109 21.574 -4.523 15.440 1.00 0.00 H new ATOM 0 HD3 LYS A 109 23.225 -4.437 14.861 1.00 0.00 H new ATOM 0 HE2 LYS A 109 22.532 -2.303 15.872 1.00 0.00 H new ATOM 0 HE3 LYS A 109 22.910 -2.100 14.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 20.859 -0.963 14.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 20.599 -2.063 13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 20.151 -2.473 15.216 1.00 0.00 H new ATOM 1441 N GLN A 110 19.287 -5.119 11.717 1.00 0.00 N ATOM 1442 CA GLN A 110 17.887 -4.761 11.851 1.00 0.00 C ATOM 1443 C GLN A 110 17.097 -5.097 10.601 1.00 0.00 C ATOM 1444 O GLN A 110 15.874 -5.003 10.563 1.00 0.00 O ATOM 1445 CB GLN A 110 17.795 -3.290 12.184 1.00 0.00 C ATOM 1446 CG GLN A 110 18.173 -2.361 11.080 1.00 0.00 C ATOM 1447 CD GLN A 110 18.314 -0.925 11.555 1.00 0.00 C ATOM 1448 OE1 GLN A 110 18.659 -0.677 12.711 1.00 0.00 O ATOM 1449 NE2 GLN A 110 18.057 0.027 10.673 1.00 0.00 N ATOM 0 H GLN A 110 19.895 -4.332 11.488 1.00 0.00 H new ATOM 0 HA GLN A 110 17.444 -5.346 12.657 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.773 -3.067 12.490 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.436 -3.088 13.042 1.00 0.00 H new ATOM 0 HG2 GLN A 110 19.114 -2.689 10.639 1.00 0.00 H new ATOM 0 HG3 GLN A 110 17.419 -2.409 10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 110 17.774 -0.219 9.725 1.00 0.00 H new ATOM 0 HE22 GLN A 110 18.142 1.007 10.941 1.00 0.00 H new ATOM 1458 N LEU A 111 17.822 -5.484 9.591 1.00 0.00 N ATOM 1459 CA LEU A 111 17.251 -5.914 8.334 1.00 0.00 C ATOM 1460 C LEU A 111 16.999 -7.420 8.365 1.00 0.00 C ATOM 1461 O LEU A 111 15.906 -7.878 8.038 1.00 0.00 O ATOM 1462 CB LEU A 111 18.210 -5.490 7.210 1.00 0.00 C ATOM 1463 CG LEU A 111 17.931 -5.994 5.780 1.00 0.00 C ATOM 1464 CD1 LEU A 111 18.371 -7.439 5.591 1.00 0.00 C ATOM 1465 CD2 LEU A 111 16.459 -5.828 5.427 1.00 0.00 C ATOM 0 H LEU A 111 18.841 -5.512 9.612 1.00 0.00 H new ATOM 0 HA LEU A 111 16.283 -5.446 8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 111 18.226 -4.401 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 111 19.212 -5.817 7.488 1.00 0.00 H new ATOM 0 HG LEU A 111 18.523 -5.382 5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 111 18.156 -7.754 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 111 19.442 -7.521 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 111 17.831 -8.078 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 111 16.285 -6.190 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 111 15.850 -6.401 6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 111 16.187 -4.774 5.488 1.00 0.00 H new ATOM 1477 N GLU A 112 18.001 -8.185 8.791 1.00 0.00 N ATOM 1478 CA GLU A 112 17.870 -9.637 8.852 1.00 0.00 C ATOM 1479 C GLU A 112 16.932 -10.051 9.982 1.00 0.00 C ATOM 1480 O GLU A 112 16.330 -11.127 9.945 1.00 0.00 O ATOM 1481 CB GLU A 112 19.232 -10.304 9.043 1.00 0.00 C ATOM 1482 CG GLU A 112 19.940 -9.867 10.308 1.00 0.00 C ATOM 1483 CD GLU A 112 21.045 -10.817 10.719 1.00 0.00 C ATOM 1484 OE1 GLU A 112 20.763 -11.777 11.469 1.00 0.00 O ATOM 1485 OE2 GLU A 112 22.201 -10.616 10.292 1.00 0.00 O ATOM 0 H GLU A 112 18.906 -7.827 9.097 1.00 0.00 H new ATOM 0 HA GLU A 112 17.448 -9.968 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 112 19.099 -11.386 9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.864 -10.077 8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 112 20.359 -8.872 10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.214 -9.789 11.117 1.00 0.00 H new ATOM 1492 N VAL A 113 16.810 -9.194 10.988 1.00 0.00 N ATOM 1493 CA VAL A 113 15.893 -9.443 12.088 1.00 0.00 C ATOM 1494 C VAL A 113 14.452 -9.353 11.588 1.00 0.00 C ATOM 1495 O VAL A 113 13.562 -10.057 12.063 1.00 0.00 O ATOM 1496 CB VAL A 113 16.136 -8.458 13.250 1.00 0.00 C ATOM 1497 CG1 VAL A 113 15.577 -7.090 12.945 1.00 0.00 C ATOM 1498 CG2 VAL A 113 15.563 -8.992 14.544 1.00 0.00 C ATOM 0 H VAL A 113 17.335 -8.322 11.063 1.00 0.00 H new ATOM 0 HA VAL A 113 16.072 -10.448 12.471 1.00 0.00 H new ATOM 0 HB VAL A 113 17.215 -8.357 13.369 1.00 0.00 H new ATOM 0 HG11 VAL A 113 15.767 -6.423 13.786 1.00 0.00 H new ATOM 0 HG12 VAL A 113 16.057 -6.692 12.051 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.503 -7.165 12.777 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.749 -8.278 15.346 1.00 0.00 H new ATOM 0 HG22 VAL A 113 14.489 -9.141 14.432 1.00 0.00 H new ATOM 0 HG23 VAL A 113 16.038 -9.942 14.787 1.00 0.00 H new ATOM 1508 N LEU A 114 14.247 -8.483 10.610 1.00 0.00 N ATOM 1509 CA LEU A 114 12.967 -8.374 9.918 1.00 0.00 C ATOM 1510 C LEU A 114 12.838 -9.465 8.860 1.00 0.00 C ATOM 1511 O LEU A 114 11.730 -9.853 8.491 1.00 0.00 O ATOM 1512 CB LEU A 114 12.819 -6.993 9.263 1.00 0.00 C ATOM 1513 CG LEU A 114 12.053 -5.937 10.074 1.00 0.00 C ATOM 1514 CD1 LEU A 114 10.605 -6.358 10.268 1.00 0.00 C ATOM 1515 CD2 LEU A 114 12.715 -5.689 11.419 1.00 0.00 C ATOM 0 H LEU A 114 14.959 -7.834 10.273 1.00 0.00 H new ATOM 0 HA LEU A 114 12.173 -8.499 10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.816 -6.606 9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.316 -7.120 8.305 1.00 0.00 H new ATOM 0 HG LEU A 114 12.074 -5.005 9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 114 10.079 -5.597 10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 114 10.126 -6.472 9.296 1.00 0.00 H new ATOM 0 HD13 LEU A 114 10.571 -7.307 10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 114 12.150 -4.937 11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 114 12.737 -6.617 11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 114 13.734 -5.335 11.263 1.00 0.00 H new ATOM 1527 N PHE A 115 13.978 -9.954 8.382 1.00 0.00 N ATOM 1528 CA PHE A 115 14.012 -10.990 7.353 1.00 0.00 C ATOM 1529 C PHE A 115 13.390 -12.281 7.877 1.00 0.00 C ATOM 1530 O PHE A 115 12.557 -12.899 7.211 1.00 0.00 O ATOM 1531 CB PHE A 115 15.461 -11.232 6.916 1.00 0.00 C ATOM 1532 CG PHE A 115 15.627 -12.210 5.791 1.00 0.00 C ATOM 1533 CD1 PHE A 115 15.769 -13.566 6.040 1.00 0.00 C ATOM 1534 CD2 PHE A 115 15.657 -11.768 4.482 1.00 0.00 C ATOM 1535 CE1 PHE A 115 15.935 -14.460 5.001 1.00 0.00 C ATOM 1536 CE2 PHE A 115 15.826 -12.656 3.440 1.00 0.00 C ATOM 1537 CZ PHE A 115 15.964 -14.002 3.699 1.00 0.00 C ATOM 0 H PHE A 115 14.899 -9.646 8.694 1.00 0.00 H new ATOM 0 HA PHE A 115 13.432 -10.658 6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 115 15.899 -10.280 6.617 1.00 0.00 H new ATOM 0 HB3 PHE A 115 16.029 -11.589 7.775 1.00 0.00 H new ATOM 0 HD1 PHE A 115 15.750 -13.927 7.058 1.00 0.00 H new ATOM 0 HD2 PHE A 115 15.547 -10.714 4.272 1.00 0.00 H new ATOM 0 HE1 PHE A 115 16.042 -15.515 5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 115 15.850 -12.296 2.422 1.00 0.00 H new ATOM 0 HZ PHE A 115 16.095 -14.698 2.884 1.00 0.00 H new ATOM 1721 N LEU A 126 4.255 -7.026 -7.928 1.00 0.00 N ATOM 1722 CA LEU A 126 3.100 -6.635 -7.146 1.00 0.00 C ATOM 1723 C LEU A 126 2.524 -5.319 -7.609 1.00 0.00 C ATOM 1724 O LEU A 126 3.231 -4.459 -8.126 1.00 0.00 O ATOM 1725 CB LEU A 126 3.465 -6.533 -5.677 1.00 0.00 C ATOM 1726 CG LEU A 126 2.364 -6.847 -4.691 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.648 -5.595 -4.323 1.00 0.00 C ATOM 1728 CD2 LEU A 126 1.402 -7.889 -5.245 1.00 0.00 C ATOM 0 HA LEU A 126 2.343 -7.407 -7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.300 -7.207 -5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.821 -5.521 -5.482 1.00 0.00 H new ATOM 0 HG LEU A 126 2.812 -7.272 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.855 -5.825 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.349 -4.894 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.215 -5.147 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 126 0.623 -8.092 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.948 -7.514 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.946 -8.809 -5.460 1.00 0.00 H new ATOM 1740 N LYS A 127 1.240 -5.165 -7.362 1.00 0.00 N ATOM 1741 CA LYS A 127 0.511 -3.977 -7.744 1.00 0.00 C ATOM 1742 C LYS A 127 -0.859 -3.947 -7.077 1.00 0.00 C ATOM 1743 O LYS A 127 -1.729 -4.765 -7.371 1.00 0.00 O ATOM 1744 CB LYS A 127 0.357 -3.888 -9.266 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.241 -5.132 -9.912 1.00 0.00 C ATOM 1746 CD LYS A 127 -0.617 -4.883 -11.364 1.00 0.00 C ATOM 1747 CE LYS A 127 -1.721 -3.845 -11.480 1.00 0.00 C ATOM 1748 NZ LYS A 127 -2.086 -3.575 -12.892 1.00 0.00 N ATOM 0 H LYS A 127 0.671 -5.866 -6.888 1.00 0.00 H new ATOM 0 HA LYS A 127 1.085 -3.114 -7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -0.272 -3.031 -9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.335 -3.699 -9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.475 -5.952 -9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.125 -5.443 -9.355 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.260 -4.547 -11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.943 -5.817 -11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.601 -4.190 -10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.398 -2.918 -11.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -2.842 -2.862 -12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.253 -3.221 -13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.419 -4.453 -13.338 1.00 0.00 H new ATOM 1762 N VAL A 128 -1.030 -3.023 -6.155 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.329 -2.752 -5.593 1.00 0.00 C ATOM 1764 C VAL A 128 -2.492 -1.238 -5.427 1.00 0.00 C ATOM 1765 O VAL A 128 -2.932 -0.592 -6.384 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.602 -3.531 -4.280 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.695 -3.111 -3.140 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -4.060 -3.402 -3.905 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.139 -0.690 -4.383 1.00 0.00 O ATOM 0 H VAL A 128 -0.278 -2.445 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.088 -3.117 -6.285 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.371 -4.580 -4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.936 -3.693 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.656 -3.287 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.840 -2.051 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -4.248 -3.951 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.306 -2.350 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.679 -3.812 -4.703 1.00 0.00 H new