USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1013 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 67 ASN : amide:sc= -0.0839 X(o=-0.11,f=-0.03) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 180:sc= -0.0302 (180deg=-0.0302) USER MOD Set 2.1: A 23 MET CE :methyl 151:sc= -0.515 (180deg=-0.607) USER MOD Set 2.2: A 53 MET CE :methyl -161:sc= -2.69! (180deg=-3.62) USER MOD Set 3.1: A 35 ASN : amide:sc= -0.525 K(o=-0.52,f=-1.5!) USER MOD Set 3.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 30 ASN : amide:sc= 0.868 K(o=2,f=-2.6!) USER MOD Set 4.2: A 34 TYR OH : rot 36:sc= 1.09 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0262 K(o=-0.026,f=-2.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -140:sc= 0.743 (180deg=-2.17!) USER MOD Single : A 21 LYS NZ :NH3+ -143:sc= 0.959 (180deg=0.42) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 21:sc= 0.753 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.035) USER MOD Single : A 45 ASN : amide:sc= -1.05 K(o=-1,f=-2.4!) USER MOD Single : A 48 THR OG1 : rot -98:sc= 0.0474 USER MOD Single : A 56 SER OG : rot -69:sc= 0.609 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -124:sc= 0.163 (180deg=-0.404!) USER MOD Single : A 60 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.007) USER MOD Single : A 61 MET CE :methyl -151:sc= -0.102 (180deg=-0.985) USER MOD Single : A 69 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=-0.039) USER MOD Single : A 70 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.16) USER MOD Single : A 72 ASN : amide:sc= -0.0992 K(o=-0.099,f=-1.9!) USER MOD Single : A 74 MET CE :methyl 180:sc= -0.355 (180deg=-0.355) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.868 X(o=-0.87,f=-0.83) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.996 K(o=-1,f=-0.2) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 95 HIS : no HD1:sc= -0.526 K(o=-0.53,f=-0.011) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 161:sc= 0.122 USER MOD Single : A 101 THR OG1 : rot 89:sc= 1.02 USER MOD Single : A 104 ASN : amide:sc= 0.634 K(o=0.63,f=-5.7!) USER MOD Single : A 107 LYS NZ :NH3+ -176:sc= 1.53 (180deg=1.4) USER MOD Single : A 111 THR OG1 : rot 94:sc= 0.403 USER MOD Single : A 116 THR OG1 : rot 80:sc= 0.938 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -106:sc= 1.25 (180deg=-0.0831) USER MOD Single : A 126 ASN : amide:sc= -0.0902 X(o=-0.09,f=-0.18) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -165:sc= -0.674 (180deg=-0.934) USER MOD ----------------------------------------------------------------- ATOM 113 N LEU A 8 0.837 5.702 10.799 1.00 0.00 N ATOM 114 CA LEU A 8 0.650 5.895 9.375 1.00 0.00 C ATOM 115 C LEU A 8 0.707 7.369 8.952 1.00 0.00 C ATOM 116 O LEU A 8 -0.146 8.171 9.332 1.00 0.00 O ATOM 117 CB LEU A 8 -0.609 5.115 8.985 1.00 0.00 C ATOM 118 CG LEU A 8 -1.079 5.215 7.532 1.00 0.00 C ATOM 119 CD1 LEU A 8 -1.919 6.480 7.350 1.00 0.00 C ATOM 120 CD2 LEU A 8 0.076 5.104 6.528 1.00 0.00 C ATOM 0 HA LEU A 8 1.483 5.491 8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.437 4.063 9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.424 5.450 9.626 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.714 4.357 7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.253 6.549 6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.786 6.439 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.317 7.355 7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.315 5.181 5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.790 5.909 6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.575 4.143 6.652 1.00 0.00 H new ATOM 132 N SER A 9 1.737 7.718 8.171 1.00 0.00 N ATOM 133 CA SER A 9 1.933 9.068 7.642 1.00 0.00 C ATOM 134 C SER A 9 1.099 9.344 6.387 1.00 0.00 C ATOM 135 O SER A 9 0.525 10.425 6.271 1.00 0.00 O ATOM 136 CB SER A 9 3.418 9.312 7.331 1.00 0.00 C ATOM 137 OG SER A 9 4.246 9.061 8.461 1.00 0.00 O ATOM 0 H SER A 9 2.464 7.062 7.887 1.00 0.00 H new ATOM 0 HA SER A 9 1.594 9.754 8.418 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.726 8.670 6.506 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.555 10.342 7.002 1.00 0.00 H new ATOM 0 HG SER A 9 5.182 9.225 8.223 1.00 0.00 H new ATOM 143 N LEU A 10 1.064 8.409 5.428 1.00 0.00 N ATOM 144 CA LEU A 10 0.431 8.633 4.128 1.00 0.00 C ATOM 145 C LEU A 10 -1.054 8.965 4.286 1.00 0.00 C ATOM 146 O LEU A 10 -1.727 8.376 5.128 1.00 0.00 O ATOM 147 CB LEU A 10 0.621 7.423 3.190 1.00 0.00 C ATOM 148 CG LEU A 10 2.010 7.166 2.553 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.883 6.259 1.325 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.714 8.457 2.129 1.00 0.00 C ATOM 0 H LEU A 10 1.473 7.481 5.534 1.00 0.00 H new ATOM 0 HA LEU A 10 0.925 9.491 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.347 6.529 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.098 7.523 2.377 1.00 0.00 H new ATOM 0 HG LEU A 10 2.610 6.684 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.870 6.091 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.449 5.304 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.239 6.736 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.682 8.216 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.102 8.981 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.860 9.095 3.001 1.00 0.00 H new ATOM 162 N ASN A 11 -1.608 9.878 3.482 1.00 0.00 N ATOM 163 CA ASN A 11 -2.982 10.365 3.691 1.00 0.00 C ATOM 164 C ASN A 11 -4.038 9.401 3.124 1.00 0.00 C ATOM 165 O ASN A 11 -4.874 9.746 2.279 1.00 0.00 O ATOM 166 CB ASN A 11 -3.149 11.788 3.157 1.00 0.00 C ATOM 167 CG ASN A 11 -4.382 12.476 3.742 1.00 0.00 C ATOM 168 OD1 ASN A 11 -5.258 11.855 4.349 1.00 0.00 O ATOM 169 ND2 ASN A 11 -4.448 13.790 3.646 1.00 0.00 N ATOM 0 H ASN A 11 -1.131 10.295 2.683 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.154 10.399 4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.260 12.372 3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.230 11.761 2.070 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.224 14.294 4.074 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.723 14.302 3.144 1.00 0.00 H new ATOM 176 N PHE A 12 -3.999 8.154 3.591 1.00 0.00 N ATOM 177 CA PHE A 12 -4.943 7.118 3.250 1.00 0.00 C ATOM 178 C PHE A 12 -6.355 7.514 3.625 1.00 0.00 C ATOM 179 O PHE A 12 -7.252 7.162 2.877 1.00 0.00 O ATOM 180 CB PHE A 12 -4.544 5.800 3.911 1.00 0.00 C ATOM 181 CG PHE A 12 -3.409 5.109 3.187 1.00 0.00 C ATOM 182 CD1 PHE A 12 -3.650 4.460 1.965 1.00 0.00 C ATOM 183 CD2 PHE A 12 -2.102 5.157 3.691 1.00 0.00 C ATOM 184 CE1 PHE A 12 -2.591 3.864 1.257 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.057 4.509 3.014 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.296 3.870 1.797 1.00 0.00 C ATOM 0 H PHE A 12 -3.279 7.837 4.240 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.923 6.980 2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.250 5.989 4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.408 5.137 3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.653 4.418 1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.898 5.695 4.605 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.774 3.402 0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.063 4.505 3.437 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.488 3.382 1.273 1.00 0.00 H new ATOM 196 N GLY A 13 -6.583 8.272 4.700 1.00 0.00 N ATOM 197 CA GLY A 13 -7.922 8.729 5.059 1.00 0.00 C ATOM 198 C GLY A 13 -8.625 9.389 3.873 1.00 0.00 C ATOM 199 O GLY A 13 -9.735 8.995 3.509 1.00 0.00 O ATOM 0 H GLY A 13 -5.851 8.582 5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.514 7.884 5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.857 9.437 5.885 1.00 0.00 H new ATOM 203 N LYS A 14 -7.962 10.349 3.219 1.00 0.00 N ATOM 204 CA LYS A 14 -8.507 11.026 2.046 1.00 0.00 C ATOM 205 C LYS A 14 -8.623 10.103 0.842 1.00 0.00 C ATOM 206 O LYS A 14 -9.684 10.019 0.237 1.00 0.00 O ATOM 207 CB LYS A 14 -7.640 12.243 1.700 1.00 0.00 C ATOM 208 CG LYS A 14 -8.032 13.484 2.512 1.00 0.00 C ATOM 209 CD LYS A 14 -9.372 14.080 2.054 1.00 0.00 C ATOM 210 CE LYS A 14 -9.220 14.921 0.790 1.00 0.00 C ATOM 211 NZ LYS A 14 -10.530 15.388 0.300 1.00 0.00 N ATOM 0 H LYS A 14 -7.034 10.675 3.490 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.517 11.350 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.593 12.005 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.733 12.463 0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.096 13.220 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.251 14.238 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.083 13.275 1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.787 14.696 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.579 15.778 0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.728 14.333 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.396 15.957 -0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.132 14.568 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.987 15.969 1.032 1.00 0.00 H new ATOM 225 N ALA A 15 -7.551 9.418 0.461 1.00 0.00 N ATOM 226 CA ALA A 15 -7.598 8.529 -0.697 1.00 0.00 C ATOM 227 C ALA A 15 -8.666 7.440 -0.536 1.00 0.00 C ATOM 228 O ALA A 15 -9.338 7.092 -1.503 1.00 0.00 O ATOM 229 CB ALA A 15 -6.222 7.902 -0.857 1.00 0.00 C ATOM 0 H ALA A 15 -6.646 9.459 0.931 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.867 9.104 -1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.226 7.231 -1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.481 8.686 -1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.972 7.339 0.042 1.00 0.00 H new ATOM 235 N LEU A 16 -8.848 6.910 0.674 1.00 0.00 N ATOM 236 CA LEU A 16 -9.877 5.935 1.004 1.00 0.00 C ATOM 237 C LEU A 16 -11.246 6.571 0.938 1.00 0.00 C ATOM 238 O LEU A 16 -12.135 5.939 0.395 1.00 0.00 O ATOM 239 CB LEU A 16 -9.701 5.348 2.404 1.00 0.00 C ATOM 240 CG LEU A 16 -8.555 4.331 2.494 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.324 4.028 3.966 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.866 3.026 1.751 1.00 0.00 C ATOM 0 H LEU A 16 -8.264 7.158 1.472 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.782 5.133 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.516 6.158 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.630 4.866 2.708 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.671 4.761 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.513 3.306 4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.059 4.947 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.234 3.614 4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.022 2.343 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.756 2.566 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.041 3.240 0.697 1.00 0.00 H new ATOM 254 N ASP A 17 -11.427 7.795 1.440 1.00 0.00 N ATOM 255 CA ASP A 17 -12.691 8.532 1.327 1.00 0.00 C ATOM 256 C ASP A 17 -13.154 8.633 -0.121 1.00 0.00 C ATOM 257 O ASP A 17 -14.354 8.747 -0.362 1.00 0.00 O ATOM 258 CB ASP A 17 -12.527 9.960 1.880 1.00 0.00 C ATOM 259 CG ASP A 17 -13.777 10.822 1.682 1.00 0.00 C ATOM 260 OD1 ASP A 17 -14.762 10.586 2.413 1.00 0.00 O ATOM 261 OD2 ASP A 17 -13.777 11.727 0.811 1.00 0.00 O ATOM 0 H ASP A 17 -10.699 8.306 1.939 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.435 7.982 1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.292 9.908 2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.680 10.439 1.390 1.00 0.00 H new ATOM 266 N GLU A 18 -12.235 8.553 -1.083 1.00 0.00 N ATOM 267 CA GLU A 18 -12.580 8.646 -2.486 1.00 0.00 C ATOM 268 C GLU A 18 -12.679 7.238 -3.089 1.00 0.00 C ATOM 269 O GLU A 18 -13.691 6.920 -3.707 1.00 0.00 O ATOM 270 CB GLU A 18 -11.602 9.619 -3.158 1.00 0.00 C ATOM 271 CG GLU A 18 -11.599 10.996 -2.440 1.00 0.00 C ATOM 272 CD GLU A 18 -11.855 12.186 -3.360 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.994 12.520 -4.199 1.00 0.00 O ATOM 274 OE2 GLU A 18 -12.901 12.852 -3.160 1.00 0.00 O ATOM 0 H GLU A 18 -11.239 8.423 -0.905 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.570 9.070 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.597 9.196 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.878 9.752 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.359 10.986 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.636 11.133 -1.947 1.00 0.00 H new ATOM 281 N CYS A 19 -11.732 6.331 -2.821 1.00 0.00 N ATOM 282 CA CYS A 19 -11.803 4.931 -3.218 1.00 0.00 C ATOM 283 C CYS A 19 -13.081 4.247 -2.748 1.00 0.00 C ATOM 284 O CYS A 19 -13.738 3.568 -3.532 1.00 0.00 O ATOM 285 CB CYS A 19 -10.608 4.168 -2.649 1.00 0.00 C ATOM 286 SG CYS A 19 -9.108 4.262 -3.636 1.00 0.00 S ATOM 0 H CYS A 19 -10.879 6.561 -2.311 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.794 4.917 -4.308 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.393 4.551 -1.651 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.886 3.120 -2.536 1.00 0.00 H new ATOM 291 N LYS A 20 -13.446 4.422 -1.477 1.00 0.00 N ATOM 292 CA LYS A 20 -14.638 3.834 -0.886 1.00 0.00 C ATOM 293 C LYS A 20 -15.872 4.223 -1.690 1.00 0.00 C ATOM 294 O LYS A 20 -16.819 3.445 -1.717 1.00 0.00 O ATOM 295 CB LYS A 20 -14.753 4.214 0.609 1.00 0.00 C ATOM 296 CG LYS A 20 -15.126 5.673 0.891 1.00 0.00 C ATOM 297 CD LYS A 20 -16.606 5.971 1.100 1.00 0.00 C ATOM 298 CE LYS A 20 -17.141 5.319 2.380 1.00 0.00 C ATOM 299 NZ LYS A 20 -17.701 3.962 2.210 1.00 0.00 N ATOM 0 H LYS A 20 -12.908 4.988 -0.821 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.560 2.747 -0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.500 3.570 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.801 4.000 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.584 5.997 1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.770 6.282 0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.756 7.049 1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.174 5.610 0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.333 5.272 3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.913 5.963 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.557 3.864 2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.944 3.809 1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.997 3.256 2.507 1.00 0.00 H new ATOM 313 N LYS A 21 -15.865 5.390 -2.348 1.00 0.00 N ATOM 314 CA LYS A 21 -16.931 5.828 -3.224 1.00 0.00 C ATOM 315 C LYS A 21 -16.768 5.217 -4.612 1.00 0.00 C ATOM 316 O LYS A 21 -17.754 4.693 -5.122 1.00 0.00 O ATOM 317 CB LYS A 21 -17.002 7.361 -3.272 1.00 0.00 C ATOM 318 CG LYS A 21 -17.228 7.965 -1.879 1.00 0.00 C ATOM 319 CD LYS A 21 -17.435 9.484 -1.930 1.00 0.00 C ATOM 320 CE LYS A 21 -17.749 10.032 -0.531 1.00 0.00 C ATOM 321 NZ LYS A 21 -16.531 10.366 0.239 1.00 0.00 N ATOM 0 H LYS A 21 -15.099 6.060 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.881 5.476 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.077 7.755 -3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.810 7.667 -3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.099 7.497 -1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.372 7.738 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.540 9.966 -2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.251 9.723 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.370 10.923 -0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.332 9.295 0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.676 10.125 1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.725 9.825 -0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.334 11.384 0.153 1.00 0.00 H new ATOM 335 N GLU A 22 -15.567 5.253 -5.203 1.00 0.00 N ATOM 336 CA GLU A 22 -15.305 4.745 -6.552 1.00 0.00 C ATOM 337 C GLU A 22 -15.726 3.278 -6.696 1.00 0.00 C ATOM 338 O GLU A 22 -16.367 2.927 -7.691 1.00 0.00 O ATOM 339 CB GLU A 22 -13.818 4.876 -6.940 1.00 0.00 C ATOM 340 CG GLU A 22 -13.325 6.314 -7.162 1.00 0.00 C ATOM 341 CD GLU A 22 -11.887 6.411 -7.705 1.00 0.00 C ATOM 342 OE1 GLU A 22 -11.216 5.386 -7.984 1.00 0.00 O ATOM 343 OE2 GLU A 22 -11.356 7.542 -7.814 1.00 0.00 O ATOM 0 H GLU A 22 -14.740 5.641 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.903 5.360 -7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.213 4.418 -6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.645 4.305 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.999 6.814 -7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.382 6.856 -6.218 1.00 0.00 H new ATOM 350 N MET A 23 -15.356 2.418 -5.737 1.00 0.00 N ATOM 351 CA MET A 23 -15.673 0.989 -5.777 1.00 0.00 C ATOM 352 C MET A 23 -17.004 0.670 -5.088 1.00 0.00 C ATOM 353 O MET A 23 -17.494 -0.455 -5.208 1.00 0.00 O ATOM 354 CB MET A 23 -14.566 0.124 -5.137 1.00 0.00 C ATOM 355 CG MET A 23 -13.199 0.769 -4.889 1.00 0.00 C ATOM 356 SD MET A 23 -11.804 -0.360 -4.673 1.00 0.00 S ATOM 357 CE MET A 23 -11.529 -0.846 -6.394 1.00 0.00 C ATOM 0 H MET A 23 -14.827 2.697 -4.911 1.00 0.00 H new ATOM 0 HA MET A 23 -15.750 0.743 -6.836 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.940 -0.242 -4.181 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.413 -0.747 -5.774 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.977 1.430 -5.726 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.273 1.395 -3.999 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.477 -1.091 -6.539 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.140 -1.718 -6.628 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.804 -0.022 -7.053 1.00 0.00 H new ATOM 367 N THR A 24 -17.565 1.625 -4.351 1.00 0.00 N ATOM 368 CA THR A 24 -18.607 1.410 -3.357 1.00 0.00 C ATOM 369 C THR A 24 -18.243 0.258 -2.398 1.00 0.00 C ATOM 370 O THR A 24 -18.950 -0.749 -2.287 1.00 0.00 O ATOM 371 CB THR A 24 -19.991 1.285 -4.014 1.00 0.00 C ATOM 372 OG1 THR A 24 -20.098 1.962 -5.255 1.00 0.00 O ATOM 373 CG2 THR A 24 -21.025 1.887 -3.064 1.00 0.00 C ATOM 0 H THR A 24 -17.295 2.605 -4.434 1.00 0.00 H new ATOM 0 HA THR A 24 -18.674 2.294 -2.723 1.00 0.00 H new ATOM 0 HB THR A 24 -20.156 0.225 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 24 -21.000 1.840 -5.617 1.00 0.00 H new ATOM 0 HG21 THR A 24 -22.017 1.810 -3.509 1.00 0.00 H new ATOM 0 HG22 THR A 24 -21.009 1.346 -2.118 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.788 2.936 -2.886 1.00 0.00 H new ATOM 381 N LEU A 25 -17.108 0.407 -1.704 1.00 0.00 N ATOM 382 CA LEU A 25 -16.740 -0.475 -0.589 1.00 0.00 C ATOM 383 C LEU A 25 -17.591 -0.081 0.628 1.00 0.00 C ATOM 384 O LEU A 25 -18.318 0.920 0.583 1.00 0.00 O ATOM 385 CB LEU A 25 -15.239 -0.376 -0.234 1.00 0.00 C ATOM 386 CG LEU A 25 -14.229 -0.455 -1.403 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.799 -0.249 -0.888 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.257 -1.804 -2.126 1.00 0.00 C ATOM 0 H LEU A 25 -16.423 1.137 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.927 -1.508 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.077 0.566 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.005 -1.175 0.469 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.523 0.329 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.100 -0.307 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.720 0.730 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.560 -1.023 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.527 -1.798 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.012 -2.599 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.252 -1.977 -2.536 1.00 0.00 H new ATOM 400 N THR A 26 -17.470 -0.803 1.742 1.00 0.00 N ATOM 401 CA THR A 26 -18.095 -0.396 3.006 1.00 0.00 C ATOM 402 C THR A 26 -17.377 0.832 3.604 1.00 0.00 C ATOM 403 O THR A 26 -16.478 1.407 2.985 1.00 0.00 O ATOM 404 CB THR A 26 -18.271 -1.568 4.004 1.00 0.00 C ATOM 405 OG1 THR A 26 -17.378 -2.650 3.872 1.00 0.00 O ATOM 406 CG2 THR A 26 -19.642 -2.225 3.805 1.00 0.00 C ATOM 0 H THR A 26 -16.944 -1.675 1.797 1.00 0.00 H new ATOM 0 HA THR A 26 -19.115 -0.084 2.782 1.00 0.00 H new ATOM 0 HB THR A 26 -18.108 -1.081 4.965 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.575 -2.355 3.395 1.00 0.00 H new ATOM 0 HG21 THR A 26 -19.757 -3.048 4.511 1.00 0.00 H new ATOM 0 HG22 THR A 26 -20.427 -1.488 3.976 1.00 0.00 H new ATOM 0 HG23 THR A 26 -19.718 -2.607 2.787 1.00 0.00 H new ATOM 414 N ASP A 27 -17.816 1.320 4.769 1.00 0.00 N ATOM 415 CA ASP A 27 -17.322 2.535 5.397 1.00 0.00 C ATOM 416 C ASP A 27 -16.248 2.243 6.435 1.00 0.00 C ATOM 417 O ASP A 27 -15.256 2.969 6.534 1.00 0.00 O ATOM 418 CB ASP A 27 -18.515 3.235 6.042 1.00 0.00 C ATOM 419 CG ASP A 27 -18.743 4.554 5.332 1.00 0.00 C ATOM 420 OD1 ASP A 27 -18.066 5.552 5.644 1.00 0.00 O ATOM 421 OD2 ASP A 27 -19.544 4.518 4.367 1.00 0.00 O ATOM 0 H ASP A 27 -18.547 0.861 5.312 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.857 3.171 4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.404 2.609 5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.327 3.404 7.102 1.00 0.00 H new ATOM 426 N ALA A 28 -16.414 1.132 7.158 1.00 0.00 N ATOM 427 CA ALA A 28 -15.502 0.641 8.180 1.00 0.00 C ATOM 428 C ALA A 28 -14.073 0.431 7.675 1.00 0.00 C ATOM 429 O ALA A 28 -13.173 0.257 8.492 1.00 0.00 O ATOM 430 CB ALA A 28 -16.042 -0.675 8.747 1.00 0.00 C ATOM 0 H ALA A 28 -17.226 0.527 7.037 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.449 1.409 8.952 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.362 -1.047 9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.025 -0.506 9.186 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.123 -1.410 7.946 1.00 0.00 H new ATOM 436 N ILE A 29 -13.843 0.449 6.362 1.00 0.00 N ATOM 437 CA ILE A 29 -12.543 0.271 5.736 1.00 0.00 C ATOM 438 C ILE A 29 -11.484 1.252 6.264 1.00 0.00 C ATOM 439 O ILE A 29 -10.312 0.888 6.305 1.00 0.00 O ATOM 440 CB ILE A 29 -12.701 0.158 4.203 1.00 0.00 C ATOM 441 CG1 ILE A 29 -13.163 1.432 3.479 1.00 0.00 C ATOM 442 CG2 ILE A 29 -13.701 -0.959 3.854 1.00 0.00 C ATOM 443 CD1 ILE A 29 -12.095 2.513 3.535 1.00 0.00 C ATOM 0 H ILE A 29 -14.590 0.594 5.683 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.116 -0.685 6.039 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.691 -0.052 3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.395 1.199 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.082 1.800 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.804 -1.030 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.337 -1.909 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.670 -0.731 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.450 3.403 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.883 2.761 4.575 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.185 2.151 3.056 1.00 0.00 H new ATOM 455 N ASN A 30 -11.861 2.436 6.763 1.00 0.00 N ATOM 456 CA ASN A 30 -10.893 3.391 7.324 1.00 0.00 C ATOM 457 C ASN A 30 -10.281 2.907 8.643 1.00 0.00 C ATOM 458 O ASN A 30 -9.341 3.505 9.164 1.00 0.00 O ATOM 459 CB ASN A 30 -11.522 4.762 7.547 1.00 0.00 C ATOM 460 CG ASN A 30 -10.522 5.915 7.400 1.00 0.00 C ATOM 461 OD1 ASN A 30 -9.409 5.790 6.885 1.00 0.00 O ATOM 462 ND2 ASN A 30 -10.927 7.107 7.793 1.00 0.00 N ATOM 0 H ASN A 30 -12.829 2.757 6.790 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.098 3.469 6.583 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.335 4.902 6.835 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.962 4.795 8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.321 7.918 7.670 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.847 7.218 8.220 1.00 0.00 H new ATOM 469 N GLU A 31 -10.887 1.880 9.229 1.00 0.00 N ATOM 470 CA GLU A 31 -10.318 1.077 10.304 1.00 0.00 C ATOM 471 C GLU A 31 -9.878 -0.296 9.786 1.00 0.00 C ATOM 472 O GLU A 31 -8.775 -0.728 10.099 1.00 0.00 O ATOM 473 CB GLU A 31 -11.334 0.900 11.441 1.00 0.00 C ATOM 474 CG GLU A 31 -11.713 2.216 12.129 1.00 0.00 C ATOM 475 CD GLU A 31 -10.643 2.805 13.060 1.00 0.00 C ATOM 476 OE1 GLU A 31 -9.513 2.272 13.177 1.00 0.00 O ATOM 477 OE2 GLU A 31 -11.000 3.777 13.769 1.00 0.00 O ATOM 0 H GLU A 31 -11.821 1.573 8.958 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.444 1.603 10.687 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.235 0.434 11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.922 0.216 12.183 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.948 2.953 11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.624 2.055 12.706 1.00 0.00 H new ATOM 484 N ASP A 32 -10.713 -1.012 9.029 1.00 0.00 N ATOM 485 CA ASP A 32 -10.503 -2.428 8.698 1.00 0.00 C ATOM 486 C ASP A 32 -9.284 -2.653 7.800 1.00 0.00 C ATOM 487 O ASP A 32 -8.497 -3.568 8.036 1.00 0.00 O ATOM 488 CB ASP A 32 -11.767 -3.017 8.067 1.00 0.00 C ATOM 489 CG ASP A 32 -11.610 -4.509 7.766 1.00 0.00 C ATOM 490 OD1 ASP A 32 -11.584 -5.319 8.717 1.00 0.00 O ATOM 491 OD2 ASP A 32 -11.612 -4.876 6.566 1.00 0.00 O ATOM 0 H ASP A 32 -11.564 -0.623 8.623 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.295 -2.950 9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.612 -2.869 8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.996 -2.482 7.145 1.00 0.00 H new ATOM 496 N PHE A 33 -9.069 -1.792 6.804 1.00 0.00 N ATOM 497 CA PHE A 33 -7.881 -1.859 5.960 1.00 0.00 C ATOM 498 C PHE A 33 -6.606 -1.464 6.720 1.00 0.00 C ATOM 499 O PHE A 33 -5.528 -1.895 6.317 1.00 0.00 O ATOM 500 CB PHE A 33 -8.149 -1.077 4.663 1.00 0.00 C ATOM 501 CG PHE A 33 -6.972 -0.397 4.001 1.00 0.00 C ATOM 502 CD1 PHE A 33 -6.588 0.886 4.426 1.00 0.00 C ATOM 503 CD2 PHE A 33 -6.281 -1.017 2.949 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.501 1.541 3.825 1.00 0.00 C ATOM 505 CE2 PHE A 33 -5.197 -0.359 2.348 1.00 0.00 C ATOM 506 CZ PHE A 33 -4.786 0.905 2.800 1.00 0.00 C ATOM 0 H PHE A 33 -9.709 -1.035 6.563 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.680 -2.890 5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.590 -1.764 3.941 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.899 -0.316 4.878 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.133 1.372 5.221 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.582 -1.995 2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.217 2.531 4.151 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.673 -0.830 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.924 1.385 2.361 1.00 0.00 H new ATOM 516 N TYR A 34 -6.723 -0.734 7.837 1.00 0.00 N ATOM 517 CA TYR A 34 -5.617 -0.397 8.733 1.00 0.00 C ATOM 518 C TYR A 34 -5.366 -1.550 9.708 1.00 0.00 C ATOM 519 O TYR A 34 -4.227 -1.818 10.092 1.00 0.00 O ATOM 520 CB TYR A 34 -5.920 0.863 9.556 1.00 0.00 C ATOM 521 CG TYR A 34 -6.005 2.167 8.790 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.973 2.329 7.789 1.00 0.00 C ATOM 523 CD2 TYR A 34 -5.178 3.252 9.133 1.00 0.00 C ATOM 524 CE1 TYR A 34 -7.141 3.565 7.161 1.00 0.00 C ATOM 525 CE2 TYR A 34 -5.322 4.496 8.488 1.00 0.00 C ATOM 526 CZ TYR A 34 -6.343 4.663 7.522 1.00 0.00 C ATOM 527 OH TYR A 34 -6.623 5.885 6.993 1.00 0.00 O ATOM 0 H TYR A 34 -7.616 -0.352 8.148 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.741 -0.216 8.111 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.865 0.711 10.077 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.149 0.965 10.319 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.593 1.493 7.502 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.426 3.130 9.898 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.891 3.677 6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.660 5.315 8.728 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.593 5.986 6.898 1.00 0.00 H new ATOM 537 N ASN A 35 -6.440 -2.213 10.146 1.00 0.00 N ATOM 538 CA ASN A 35 -6.409 -3.313 11.102 1.00 0.00 C ATOM 539 C ASN A 35 -5.505 -4.409 10.587 1.00 0.00 C ATOM 540 O ASN A 35 -4.735 -4.941 11.371 1.00 0.00 O ATOM 541 CB ASN A 35 -7.797 -3.918 11.350 1.00 0.00 C ATOM 542 CG ASN A 35 -8.701 -3.066 12.218 1.00 0.00 C ATOM 543 OD1 ASN A 35 -8.238 -2.234 12.992 1.00 0.00 O ATOM 544 ND2 ASN A 35 -10.004 -3.279 12.135 1.00 0.00 N ATOM 0 H ASN A 35 -7.384 -1.988 9.832 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.040 -2.902 12.042 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.285 -4.084 10.390 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.677 -4.894 11.819 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.646 -2.746 12.722 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.366 -3.976 11.484 1.00 0.00 H new ATOM 551 N PHE A 36 -5.556 -4.700 9.283 1.00 0.00 N ATOM 552 CA PHE A 36 -4.724 -5.701 8.622 1.00 0.00 C ATOM 553 C PHE A 36 -3.249 -5.611 9.061 1.00 0.00 C ATOM 554 O PHE A 36 -2.584 -6.634 9.217 1.00 0.00 O ATOM 555 CB PHE A 36 -4.821 -5.469 7.101 1.00 0.00 C ATOM 556 CG PHE A 36 -4.004 -6.418 6.237 1.00 0.00 C ATOM 557 CD1 PHE A 36 -4.235 -7.805 6.287 1.00 0.00 C ATOM 558 CD2 PHE A 36 -3.030 -5.917 5.350 1.00 0.00 C ATOM 559 CE1 PHE A 36 -3.523 -8.672 5.442 1.00 0.00 C ATOM 560 CE2 PHE A 36 -2.305 -6.786 4.516 1.00 0.00 C ATOM 561 CZ PHE A 36 -2.553 -8.168 4.557 1.00 0.00 C ATOM 0 H PHE A 36 -6.197 -4.230 8.643 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.083 -6.692 8.898 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.867 -5.547 6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.505 -4.448 6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.963 -8.205 6.978 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.839 -4.855 5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.722 -9.733 5.472 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.558 -6.391 3.844 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.003 -8.839 3.914 1.00 0.00 H new ATOM 571 N TRP A 37 -2.735 -4.390 9.251 1.00 0.00 N ATOM 572 CA TRP A 37 -1.345 -4.113 9.596 1.00 0.00 C ATOM 573 C TRP A 37 -1.017 -4.494 11.038 1.00 0.00 C ATOM 574 O TRP A 37 0.124 -4.866 11.340 1.00 0.00 O ATOM 575 CB TRP A 37 -1.090 -2.607 9.435 1.00 0.00 C ATOM 576 CG TRP A 37 -1.565 -1.978 8.161 1.00 0.00 C ATOM 577 CD1 TRP A 37 -1.747 -2.612 6.982 1.00 0.00 C ATOM 578 CD2 TRP A 37 -1.984 -0.602 7.933 1.00 0.00 C ATOM 579 NE1 TRP A 37 -2.280 -1.739 6.065 1.00 0.00 N ATOM 580 CE2 TRP A 37 -2.481 -0.495 6.606 1.00 0.00 C ATOM 581 CE3 TRP A 37 -2.051 0.558 8.728 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -3.066 0.676 6.115 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -2.541 1.770 8.212 1.00 0.00 C ATOM 584 CH2 TRP A 37 -3.075 1.829 6.913 1.00 0.00 C ATOM 0 H TRP A 37 -3.298 -3.544 9.165 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.716 -4.708 8.933 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.566 -2.090 10.268 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.018 -2.432 9.522 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.510 -3.648 6.790 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.499 -1.986 5.100 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.719 0.516 9.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.507 0.692 5.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.507 2.663 8.818 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.488 2.752 6.534 1.00 0.00 H new ATOM 595 N LYS A 38 -1.984 -4.324 11.943 1.00 0.00 N ATOM 596 CA LYS A 38 -1.845 -4.574 13.371 1.00 0.00 C ATOM 597 C LYS A 38 -1.636 -6.073 13.540 1.00 0.00 C ATOM 598 O LYS A 38 -2.224 -6.876 12.818 1.00 0.00 O ATOM 599 CB LYS A 38 -3.108 -4.083 14.103 1.00 0.00 C ATOM 600 CG LYS A 38 -3.326 -2.569 13.963 1.00 0.00 C ATOM 601 CD LYS A 38 -4.652 -2.133 14.597 1.00 0.00 C ATOM 602 CE LYS A 38 -4.759 -0.608 14.510 1.00 0.00 C ATOM 603 NZ LYS A 38 -5.975 -0.079 15.159 1.00 0.00 N ATOM 0 H LYS A 38 -2.916 -3.997 11.688 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.999 -4.037 13.800 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.978 -4.609 13.710 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.032 -4.338 15.160 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.502 -2.036 14.437 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.318 -2.295 12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.490 -2.601 14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.698 -2.456 15.637 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.881 -0.160 14.975 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.753 -0.308 13.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.994 0.957 15.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.817 -0.482 14.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.972 -0.339 16.166 1.00 0.00 H new ATOM 617 N GLU A 39 -0.761 -6.475 14.458 1.00 0.00 N ATOM 618 CA GLU A 39 -0.407 -7.884 14.520 1.00 0.00 C ATOM 619 C GLU A 39 -1.575 -8.701 15.043 1.00 0.00 C ATOM 620 O GLU A 39 -2.354 -8.256 15.897 1.00 0.00 O ATOM 621 CB GLU A 39 0.901 -8.124 15.285 1.00 0.00 C ATOM 622 CG GLU A 39 2.066 -7.680 14.385 1.00 0.00 C ATOM 623 CD GLU A 39 3.063 -8.785 14.049 1.00 0.00 C ATOM 624 OE1 GLU A 39 3.659 -9.381 14.969 1.00 0.00 O ATOM 625 OE2 GLU A 39 3.270 -9.036 12.837 1.00 0.00 O ATOM 0 H GLU A 39 -0.302 -5.872 15.141 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.204 -8.231 13.507 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.905 -7.562 16.219 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.002 -9.177 15.547 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.659 -7.281 13.456 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.598 -6.865 14.876 1.00 0.00 H new ATOM 632 N GLY A 40 -1.667 -9.887 14.453 1.00 0.00 N ATOM 633 CA GLY A 40 -2.699 -10.890 14.677 1.00 0.00 C ATOM 634 C GLY A 40 -4.027 -10.605 13.965 1.00 0.00 C ATOM 635 O GLY A 40 -4.910 -11.457 13.986 1.00 0.00 O ATOM 0 H GLY A 40 -0.980 -10.192 13.763 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.324 -11.859 14.346 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.885 -10.969 15.748 1.00 0.00 H new ATOM 639 N TYR A 41 -4.209 -9.433 13.348 1.00 0.00 N ATOM 640 CA TYR A 41 -5.456 -9.081 12.676 1.00 0.00 C ATOM 641 C TYR A 41 -5.492 -9.724 11.284 1.00 0.00 C ATOM 642 O TYR A 41 -4.908 -9.224 10.319 1.00 0.00 O ATOM 643 CB TYR A 41 -5.606 -7.561 12.606 1.00 0.00 C ATOM 644 CG TYR A 41 -6.669 -6.936 13.482 1.00 0.00 C ATOM 645 CD1 TYR A 41 -8.024 -7.175 13.208 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.316 -5.969 14.434 1.00 0.00 C ATOM 647 CE1 TYR A 41 -9.017 -6.355 13.770 1.00 0.00 C ATOM 648 CE2 TYR A 41 -7.294 -5.157 15.023 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.651 -5.323 14.668 1.00 0.00 C ATOM 650 OH TYR A 41 -9.581 -4.457 15.152 1.00 0.00 O ATOM 0 H TYR A 41 -3.495 -8.706 13.302 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.302 -9.466 13.245 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.647 -7.113 12.865 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.816 -7.288 11.572 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.305 -7.993 12.562 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.280 -5.849 14.716 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.056 -6.511 13.518 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.011 -4.406 15.746 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.149 -3.816 15.755 1.00 0.00 H new ATOM 660 N GLU A 42 -6.186 -10.851 11.181 1.00 0.00 N ATOM 661 CA GLU A 42 -6.279 -11.692 9.994 1.00 0.00 C ATOM 662 C GLU A 42 -7.276 -11.110 8.965 1.00 0.00 C ATOM 663 O GLU A 42 -8.232 -11.770 8.546 1.00 0.00 O ATOM 664 CB GLU A 42 -6.640 -13.105 10.481 1.00 0.00 C ATOM 665 CG GLU A 42 -6.315 -14.184 9.442 1.00 0.00 C ATOM 666 CD GLU A 42 -6.871 -15.555 9.826 1.00 0.00 C ATOM 667 OE1 GLU A 42 -6.998 -15.865 11.032 1.00 0.00 O ATOM 668 OE2 GLU A 42 -7.215 -16.321 8.890 1.00 0.00 O ATOM 0 H GLU A 42 -6.726 -11.222 11.963 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.333 -11.732 9.454 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.098 -13.318 11.403 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.703 -13.143 10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.724 -13.888 8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.234 -14.255 9.323 1.00 0.00 H new ATOM 675 N ILE A 43 -7.086 -9.847 8.560 1.00 0.00 N ATOM 676 CA ILE A 43 -8.000 -9.166 7.641 1.00 0.00 C ATOM 677 C ILE A 43 -7.689 -9.593 6.202 1.00 0.00 C ATOM 678 O ILE A 43 -7.036 -8.880 5.440 1.00 0.00 O ATOM 679 CB ILE A 43 -8.034 -7.644 7.832 1.00 0.00 C ATOM 680 CG1 ILE A 43 -8.288 -7.219 9.289 1.00 0.00 C ATOM 681 CG2 ILE A 43 -9.159 -7.060 6.960 1.00 0.00 C ATOM 682 CD1 ILE A 43 -9.292 -8.057 10.071 1.00 0.00 C ATOM 0 H ILE A 43 -6.298 -9.273 8.860 1.00 0.00 H new ATOM 0 HA ILE A 43 -9.017 -9.480 7.877 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.053 -7.267 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.337 -7.239 9.822 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.632 -6.185 9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.193 -5.978 7.087 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.968 -7.297 5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.114 -7.491 7.261 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.387 -7.662 11.082 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.262 -8.020 9.575 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.947 -9.090 10.116 1.00 0.00 H new ATOM 694 N LYS A 44 -8.172 -10.764 5.801 1.00 0.00 N ATOM 695 CA LYS A 44 -7.893 -11.349 4.486 1.00 0.00 C ATOM 696 C LYS A 44 -9.032 -11.064 3.497 1.00 0.00 C ATOM 697 O LYS A 44 -9.111 -11.723 2.460 1.00 0.00 O ATOM 698 CB LYS A 44 -7.580 -12.855 4.638 1.00 0.00 C ATOM 699 CG LYS A 44 -6.472 -13.170 5.666 1.00 0.00 C ATOM 700 CD LYS A 44 -5.061 -12.673 5.309 1.00 0.00 C ATOM 701 CE LYS A 44 -4.238 -13.683 4.501 1.00 0.00 C ATOM 702 NZ LYS A 44 -3.800 -14.843 5.314 1.00 0.00 N ATOM 0 H LYS A 44 -8.776 -11.344 6.384 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.008 -10.876 4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.491 -13.376 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.284 -13.253 3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.758 -12.735 6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.431 -14.250 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.145 -11.747 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.526 -12.434 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.831 -14.038 3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.362 -13.183 4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.125 -15.415 4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.342 -14.504 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.626 -15.425 5.562 1.00 0.00 H new ATOM 716 N ASN A 45 -9.927 -10.117 3.800 1.00 0.00 N ATOM 717 CA ASN A 45 -11.184 -9.968 3.063 1.00 0.00 C ATOM 718 C ASN A 45 -10.997 -9.302 1.694 1.00 0.00 C ATOM 719 O ASN A 45 -10.025 -8.581 1.457 1.00 0.00 O ATOM 720 CB ASN A 45 -12.240 -9.186 3.865 1.00 0.00 C ATOM 721 CG ASN A 45 -13.566 -9.269 3.127 1.00 0.00 C ATOM 722 OD1 ASN A 45 -13.979 -10.361 2.755 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.156 -8.159 2.729 1.00 0.00 N ATOM 0 H ASN A 45 -9.802 -9.441 4.553 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.540 -10.986 2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.338 -9.602 4.868 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.935 -8.146 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.963 -8.205 2.107 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.806 -7.254 3.044 1.00 0.00 H new ATOM 730 N ARG A 46 -11.972 -9.496 0.800 1.00 0.00 N ATOM 731 CA ARG A 46 -11.996 -9.011 -0.578 1.00 0.00 C ATOM 732 C ARG A 46 -11.733 -7.512 -0.613 1.00 0.00 C ATOM 733 O ARG A 46 -10.704 -7.085 -1.142 1.00 0.00 O ATOM 734 CB ARG A 46 -13.285 -9.383 -1.322 1.00 0.00 C ATOM 735 CG ARG A 46 -13.806 -10.792 -1.032 1.00 0.00 C ATOM 736 CD ARG A 46 -15.139 -10.950 -1.759 1.00 0.00 C ATOM 737 NE ARG A 46 -15.464 -12.363 -2.012 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.597 -13.012 -1.736 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.621 -12.392 -1.164 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.693 -14.296 -2.052 1.00 0.00 N ATOM 0 H ARG A 46 -12.811 -10.026 1.035 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.193 -9.517 -1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.060 -8.663 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.110 -9.288 -2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.092 -11.542 -1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.935 -10.939 0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.932 -10.496 -1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.102 -10.411 -2.706 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.730 -12.916 -2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.550 -11.402 -0.927 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.479 -12.905 -0.961 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.909 -14.771 -2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.551 -14.808 -1.849 1.00 0.00 H new ATOM 754 N GLU A 47 -12.622 -6.724 0.000 1.00 0.00 N ATOM 755 CA GLU A 47 -12.562 -5.262 -0.032 1.00 0.00 C ATOM 756 C GLU A 47 -11.203 -4.747 0.423 1.00 0.00 C ATOM 757 O GLU A 47 -10.701 -3.777 -0.131 1.00 0.00 O ATOM 758 CB GLU A 47 -13.601 -4.638 0.898 1.00 0.00 C ATOM 759 CG GLU A 47 -15.035 -4.666 0.365 1.00 0.00 C ATOM 760 CD GLU A 47 -15.964 -3.723 1.137 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.517 -3.038 2.091 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.154 -3.662 0.773 1.00 0.00 O ATOM 0 H GLU A 47 -13.410 -7.088 0.537 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.753 -4.981 -1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.573 -5.160 1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.320 -3.603 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.033 -4.388 -0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.422 -5.683 0.425 1.00 0.00 H new ATOM 769 N THR A 48 -10.585 -5.391 1.409 1.00 0.00 N ATOM 770 CA THR A 48 -9.362 -4.921 2.033 1.00 0.00 C ATOM 771 C THR A 48 -8.190 -4.909 1.039 1.00 0.00 C ATOM 772 O THR A 48 -7.278 -4.091 1.142 1.00 0.00 O ATOM 773 CB THR A 48 -9.079 -5.829 3.243 1.00 0.00 C ATOM 774 OG1 THR A 48 -10.294 -6.191 3.884 1.00 0.00 O ATOM 775 CG2 THR A 48 -8.227 -5.076 4.246 1.00 0.00 C ATOM 0 H THR A 48 -10.929 -6.268 1.800 1.00 0.00 H new ATOM 0 HA THR A 48 -9.480 -3.889 2.364 1.00 0.00 H new ATOM 0 HB THR A 48 -8.566 -6.724 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.440 -5.611 4.660 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.025 -5.716 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.286 -4.787 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.758 -4.183 4.576 1.00 0.00 H new ATOM 783 N GLY A 49 -8.220 -5.793 0.046 1.00 0.00 N ATOM 784 CA GLY A 49 -7.300 -5.770 -1.086 1.00 0.00 C ATOM 785 C GLY A 49 -7.784 -4.868 -2.216 1.00 0.00 C ATOM 786 O GLY A 49 -6.962 -4.357 -2.974 1.00 0.00 O ATOM 0 H GLY A 49 -8.895 -6.557 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.322 -5.429 -0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.171 -6.784 -1.465 1.00 0.00 H new ATOM 790 N CYS A 50 -9.094 -4.639 -2.335 1.00 0.00 N ATOM 791 CA CYS A 50 -9.624 -3.662 -3.279 1.00 0.00 C ATOM 792 C CYS A 50 -9.190 -2.254 -2.883 1.00 0.00 C ATOM 793 O CYS A 50 -8.835 -1.461 -3.748 1.00 0.00 O ATOM 794 CB CYS A 50 -11.145 -3.748 -3.408 1.00 0.00 C ATOM 795 SG CYS A 50 -11.638 -4.132 -5.100 1.00 0.00 S ATOM 0 H CYS A 50 -9.806 -5.120 -1.786 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.210 -3.897 -4.260 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.527 -4.514 -2.733 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.592 -2.802 -3.102 1.00 0.00 H new ATOM 800 N ALA A 51 -9.159 -1.962 -1.580 1.00 0.00 N ATOM 801 CA ALA A 51 -8.601 -0.740 -1.036 1.00 0.00 C ATOM 802 C ALA A 51 -7.171 -0.573 -1.537 1.00 0.00 C ATOM 803 O ALA A 51 -6.924 0.418 -2.211 1.00 0.00 O ATOM 804 CB ALA A 51 -8.708 -0.739 0.493 1.00 0.00 C ATOM 0 H ALA A 51 -9.531 -2.588 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.170 0.123 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.285 0.185 0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.756 -0.811 0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.160 -1.590 0.897 1.00 0.00 H new ATOM 810 N ILE A 52 -6.263 -1.531 -1.286 1.00 0.00 N ATOM 811 CA ILE A 52 -4.893 -1.505 -1.807 1.00 0.00 C ATOM 812 C ILE A 52 -4.926 -1.162 -3.305 1.00 0.00 C ATOM 813 O ILE A 52 -4.298 -0.203 -3.729 1.00 0.00 O ATOM 814 CB ILE A 52 -4.165 -2.841 -1.515 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.013 -3.084 0.005 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.779 -2.876 -2.185 1.00 0.00 C ATOM 817 CD1 ILE A 52 -3.316 -4.402 0.355 1.00 0.00 C ATOM 0 H ILE A 52 -6.464 -2.349 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.319 -0.730 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.781 -3.637 -1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.449 -2.259 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.001 -3.073 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.291 -3.825 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.894 -2.771 -3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.170 -2.057 -1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.247 -4.501 1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.890 -5.236 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.314 -4.409 -0.075 1.00 0.00 H new ATOM 829 N MET A 53 -5.688 -1.912 -4.096 1.00 0.00 N ATOM 830 CA MET A 53 -5.719 -1.773 -5.543 1.00 0.00 C ATOM 831 C MET A 53 -6.160 -0.378 -6.006 1.00 0.00 C ATOM 832 O MET A 53 -5.491 0.250 -6.817 1.00 0.00 O ATOM 833 CB MET A 53 -6.639 -2.865 -6.079 1.00 0.00 C ATOM 834 CG MET A 53 -6.732 -2.879 -7.599 1.00 0.00 C ATOM 835 SD MET A 53 -8.365 -2.481 -8.278 1.00 0.00 S ATOM 836 CE MET A 53 -9.429 -3.623 -7.366 1.00 0.00 C ATOM 0 H MET A 53 -6.308 -2.641 -3.743 1.00 0.00 H new ATOM 0 HA MET A 53 -4.710 -1.886 -5.940 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.280 -3.835 -5.735 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.637 -2.728 -5.662 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.008 -2.168 -7.998 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.439 -3.867 -7.956 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.376 -3.739 -7.894 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.938 -4.593 -7.285 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.616 -3.227 -6.368 1.00 0.00 H new ATOM 846 N CYS A 54 -7.281 0.144 -5.506 1.00 0.00 N ATOM 847 CA CYS A 54 -7.714 1.489 -5.872 1.00 0.00 C ATOM 848 C CYS A 54 -6.703 2.528 -5.375 1.00 0.00 C ATOM 849 O CYS A 54 -6.448 3.536 -6.039 1.00 0.00 O ATOM 850 CB CYS A 54 -9.116 1.741 -5.317 1.00 0.00 C ATOM 851 SG CYS A 54 -9.681 3.458 -5.419 1.00 0.00 S ATOM 0 H CYS A 54 -7.898 -0.340 -4.854 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.759 1.580 -6.957 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.823 1.109 -5.855 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.139 1.428 -4.273 1.00 0.00 H new ATOM 856 N LEU A 55 -6.114 2.294 -4.203 1.00 0.00 N ATOM 857 CA LEU A 55 -5.091 3.161 -3.642 1.00 0.00 C ATOM 858 C LEU A 55 -3.802 3.144 -4.456 1.00 0.00 C ATOM 859 O LEU A 55 -3.121 4.170 -4.465 1.00 0.00 O ATOM 860 CB LEU A 55 -4.812 2.769 -2.187 1.00 0.00 C ATOM 861 CG LEU A 55 -5.967 3.131 -1.238 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.754 2.438 0.109 1.00 0.00 C ATOM 863 CD2 LEU A 55 -6.061 4.645 -1.085 1.00 0.00 C ATOM 0 H LEU A 55 -6.338 1.491 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.474 4.181 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.628 1.696 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.902 3.266 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.913 2.783 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.572 2.693 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.728 1.358 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.810 2.768 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.881 4.892 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.127 5.028 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.242 5.099 -2.059 1.00 0.00 H new ATOM 875 N SER A 56 -3.503 2.072 -5.200 1.00 0.00 N ATOM 876 CA SER A 56 -2.321 1.979 -6.053 1.00 0.00 C ATOM 877 C SER A 56 -2.387 3.021 -7.197 1.00 0.00 C ATOM 878 O SER A 56 -1.429 3.232 -7.942 1.00 0.00 O ATOM 879 CB SER A 56 -2.114 0.512 -6.516 1.00 0.00 C ATOM 880 OG SER A 56 -2.719 0.131 -7.726 1.00 0.00 O ATOM 0 H SER A 56 -4.086 1.235 -5.224 1.00 0.00 H new ATOM 0 HA SER A 56 -1.426 2.239 -5.489 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.042 0.333 -6.602 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.485 -0.146 -5.730 1.00 0.00 H new ATOM 0 HG SER A 56 -3.692 0.112 -7.613 1.00 0.00 H new ATOM 886 N THR A 57 -3.507 3.751 -7.327 1.00 0.00 N ATOM 887 CA THR A 57 -3.665 4.843 -8.282 1.00 0.00 C ATOM 888 C THR A 57 -4.288 6.083 -7.622 1.00 0.00 C ATOM 889 O THR A 57 -4.995 6.885 -8.237 1.00 0.00 O ATOM 890 CB THR A 57 -4.325 4.280 -9.550 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.032 5.102 -10.657 1.00 0.00 O ATOM 892 CG2 THR A 57 -5.827 4.035 -9.417 1.00 0.00 C ATOM 0 H THR A 57 -4.338 3.590 -6.758 1.00 0.00 H new ATOM 0 HA THR A 57 -2.711 5.247 -8.621 1.00 0.00 H new ATOM 0 HB THR A 57 -3.892 3.292 -9.709 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.456 4.733 -11.460 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.215 3.638 -10.355 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.009 3.318 -8.616 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.330 4.974 -9.185 1.00 0.00 H new ATOM 900 N LYS A 58 -3.992 6.263 -6.335 1.00 0.00 N ATOM 901 CA LYS A 58 -4.332 7.437 -5.530 1.00 0.00 C ATOM 902 C LYS A 58 -3.084 8.033 -4.899 1.00 0.00 C ATOM 903 O LYS A 58 -3.203 8.748 -3.909 1.00 0.00 O ATOM 904 CB LYS A 58 -5.339 7.031 -4.443 1.00 0.00 C ATOM 905 CG LYS A 58 -6.684 6.583 -5.008 1.00 0.00 C ATOM 906 CD LYS A 58 -7.669 7.706 -5.211 1.00 0.00 C ATOM 907 CE LYS A 58 -8.918 7.070 -5.821 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.727 6.550 -7.197 1.00 0.00 N ATOM 0 H LYS A 58 -3.484 5.560 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.779 8.195 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.915 6.223 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.497 7.874 -3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.517 6.083 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.122 5.847 -4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.903 8.195 -4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.258 8.470 -5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.246 6.253 -5.179 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.719 7.809 -5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.425 6.986 -7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.767 6.781 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.855 5.518 -7.199 1.00 0.00 H new ATOM 922 N LEU A 59 -1.899 7.759 -5.434 1.00 0.00 N ATOM 923 CA LEU A 59 -0.631 8.183 -4.853 1.00 0.00 C ATOM 924 C LEU A 59 -0.616 9.706 -4.686 1.00 0.00 C ATOM 925 O LEU A 59 -0.168 10.178 -3.648 1.00 0.00 O ATOM 926 CB LEU A 59 0.555 7.670 -5.692 1.00 0.00 C ATOM 927 CG LEU A 59 0.433 6.208 -6.181 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.607 5.805 -7.070 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.311 5.193 -5.041 1.00 0.00 C ATOM 0 H LEU A 59 -1.791 7.227 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.524 7.743 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.672 8.318 -6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.465 7.763 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.492 6.186 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.482 4.771 -7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.641 6.455 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.537 5.901 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.229 4.188 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.194 5.252 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.577 5.415 -4.450 1.00 0.00 H new ATOM 941 N ASN A 60 -1.236 10.457 -5.608 1.00 0.00 N ATOM 942 CA ASN A 60 -1.400 11.918 -5.510 1.00 0.00 C ATOM 943 C ASN A 60 -2.153 12.357 -4.244 1.00 0.00 C ATOM 944 O ASN A 60 -1.930 13.443 -3.715 1.00 0.00 O ATOM 945 CB ASN A 60 -2.160 12.429 -6.751 1.00 0.00 C ATOM 946 CG ASN A 60 -2.741 13.826 -6.544 1.00 0.00 C ATOM 947 OD1 ASN A 60 -2.032 14.825 -6.627 1.00 0.00 O ATOM 948 ND2 ASN A 60 -4.024 13.942 -6.234 1.00 0.00 N ATOM 0 H ASN A 60 -1.644 10.063 -6.456 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.400 12.348 -5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.485 12.442 -7.607 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.966 11.735 -6.991 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.426 14.864 -6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.610 13.110 -6.166 1.00 0.00 H new ATOM 955 N MET A 61 -3.108 11.549 -3.791 1.00 0.00 N ATOM 956 CA MET A 61 -3.896 11.832 -2.602 1.00 0.00 C ATOM 957 C MET A 61 -3.064 11.520 -1.358 1.00 0.00 C ATOM 958 O MET A 61 -3.151 12.231 -0.361 1.00 0.00 O ATOM 959 CB MET A 61 -5.160 10.961 -2.593 1.00 0.00 C ATOM 960 CG MET A 61 -6.055 11.107 -3.830 1.00 0.00 C ATOM 961 SD MET A 61 -6.977 12.657 -3.958 1.00 0.00 S ATOM 962 CE MET A 61 -8.051 12.475 -2.511 1.00 0.00 C ATOM 0 H MET A 61 -3.357 10.671 -4.246 1.00 0.00 H new ATOM 0 HA MET A 61 -4.182 12.884 -2.604 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.863 9.916 -2.499 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.746 11.207 -1.708 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.433 11.002 -4.719 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.767 10.281 -3.839 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.987 13.007 -2.683 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.259 11.418 -2.343 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.554 12.890 -1.634 1.00 0.00 H new ATOM 972 N LEU A 62 -2.304 10.420 -1.384 1.00 0.00 N ATOM 973 CA LEU A 62 -1.524 9.928 -0.257 1.00 0.00 C ATOM 974 C LEU A 62 -0.330 10.815 0.021 1.00 0.00 C ATOM 975 O LEU A 62 -0.036 11.088 1.185 1.00 0.00 O ATOM 976 CB LEU A 62 -1.045 8.499 -0.558 1.00 0.00 C ATOM 977 CG LEU A 62 -2.192 7.540 -0.881 1.00 0.00 C ATOM 978 CD1 LEU A 62 -1.694 6.218 -1.436 1.00 0.00 C ATOM 979 CD2 LEU A 62 -3.034 7.291 0.363 1.00 0.00 C ATOM 0 H LEU A 62 -2.216 9.835 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.160 9.934 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.352 8.524 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.492 8.119 0.301 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.802 8.013 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.544 5.570 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.133 6.397 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.046 5.737 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.847 6.607 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.411 6.852 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.447 8.235 0.718 1.00 0.00 H new ATOM 991 N ASP A 63 0.338 11.225 -1.051 1.00 0.00 N ATOM 992 CA ASP A 63 1.547 12.036 -1.056 1.00 0.00 C ATOM 993 C ASP A 63 1.170 13.445 -1.533 1.00 0.00 C ATOM 994 O ASP A 63 0.893 13.629 -2.719 1.00 0.00 O ATOM 995 CB ASP A 63 2.611 11.384 -1.947 1.00 0.00 C ATOM 996 CG ASP A 63 3.928 12.162 -1.943 1.00 0.00 C ATOM 997 OD1 ASP A 63 3.929 13.410 -1.980 1.00 0.00 O ATOM 998 OD2 ASP A 63 4.984 11.499 -1.951 1.00 0.00 O ATOM 0 H ASP A 63 0.031 10.986 -1.994 1.00 0.00 H new ATOM 0 HA ASP A 63 1.977 12.108 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.793 10.365 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.235 11.316 -2.968 1.00 0.00 H new ATOM 1003 N PRO A 64 1.073 14.438 -0.631 1.00 0.00 N ATOM 1004 CA PRO A 64 0.587 15.772 -0.973 1.00 0.00 C ATOM 1005 C PRO A 64 1.560 16.594 -1.816 1.00 0.00 C ATOM 1006 O PRO A 64 1.143 17.544 -2.483 1.00 0.00 O ATOM 1007 CB PRO A 64 0.369 16.478 0.363 1.00 0.00 C ATOM 1008 CG PRO A 64 1.294 15.754 1.339 1.00 0.00 C ATOM 1009 CD PRO A 64 1.356 14.334 0.793 1.00 0.00 C ATOM 0 HA PRO A 64 -0.313 15.677 -1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.615 17.538 0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.672 16.412 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.282 16.214 1.371 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.900 15.775 2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.338 13.893 0.964 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.628 13.693 1.290 1.00 0.00 H new ATOM 1017 N GLU A 65 2.849 16.281 -1.722 1.00 0.00 N ATOM 1018 CA GLU A 65 3.904 16.875 -2.530 1.00 0.00 C ATOM 1019 C GLU A 65 3.797 16.345 -3.963 1.00 0.00 C ATOM 1020 O GLU A 65 4.201 17.025 -4.910 1.00 0.00 O ATOM 1021 CB GLU A 65 5.294 16.516 -1.971 1.00 0.00 C ATOM 1022 CG GLU A 65 5.451 16.799 -0.473 1.00 0.00 C ATOM 1023 CD GLU A 65 6.757 16.241 0.093 1.00 0.00 C ATOM 1024 OE1 GLU A 65 7.134 15.100 -0.262 1.00 0.00 O ATOM 1025 OE2 GLU A 65 7.373 16.916 0.954 1.00 0.00 O ATOM 0 H GLU A 65 3.196 15.586 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 65 3.786 17.958 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.487 15.459 -2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.051 17.077 -2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.416 17.875 -0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.610 16.364 0.066 1.00 0.00 H new ATOM 1032 N GLY A 66 3.258 15.134 -4.126 1.00 0.00 N ATOM 1033 CA GLY A 66 3.268 14.380 -5.357 1.00 0.00 C ATOM 1034 C GLY A 66 4.624 13.734 -5.650 1.00 0.00 C ATOM 1035 O GLY A 66 4.923 13.522 -6.827 1.00 0.00 O ATOM 0 H GLY A 66 2.787 14.643 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.505 13.603 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.999 15.039 -6.183 1.00 0.00 H new ATOM 1039 N ASN A 67 5.443 13.431 -4.630 1.00 0.00 N ATOM 1040 CA ASN A 67 6.719 12.723 -4.826 1.00 0.00 C ATOM 1041 C ASN A 67 6.458 11.316 -5.351 1.00 0.00 C ATOM 1042 O ASN A 67 7.056 10.911 -6.345 1.00 0.00 O ATOM 1043 CB ASN A 67 7.566 12.624 -3.533 1.00 0.00 C ATOM 1044 CG ASN A 67 8.679 13.658 -3.478 1.00 0.00 C ATOM 1045 OD1 ASN A 67 9.811 13.397 -3.869 1.00 0.00 O ATOM 1046 ND2 ASN A 67 8.402 14.823 -2.935 1.00 0.00 N ATOM 0 H ASN A 67 5.243 13.666 -3.658 1.00 0.00 H new ATOM 0 HA ASN A 67 7.288 13.309 -5.548 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.916 12.750 -2.667 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.999 11.626 -3.463 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.134 15.526 -2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.455 15.024 -2.615 1.00 0.00 H new ATOM 1053 N LEU A 68 5.619 10.550 -4.651 1.00 0.00 N ATOM 1054 CA LEU A 68 5.343 9.147 -4.938 1.00 0.00 C ATOM 1055 C LEU A 68 4.661 8.973 -6.303 1.00 0.00 C ATOM 1056 O LEU A 68 3.459 9.228 -6.446 1.00 0.00 O ATOM 1057 CB LEU A 68 4.512 8.565 -3.786 1.00 0.00 C ATOM 1058 CG LEU A 68 4.318 7.040 -3.874 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.624 6.243 -3.950 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.561 6.573 -2.631 1.00 0.00 C ATOM 0 H LEU A 68 5.100 10.902 -3.847 1.00 0.00 H new ATOM 0 HA LEU A 68 6.280 8.594 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.998 8.807 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.534 9.047 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 68 3.773 6.854 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.398 5.178 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.184 6.545 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.221 6.438 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.415 5.494 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.136 6.823 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.591 7.069 -2.588 1.00 0.00 H new ATOM 1072 N HIS A 69 5.425 8.544 -7.307 1.00 0.00 N ATOM 1073 CA HIS A 69 4.932 8.231 -8.643 1.00 0.00 C ATOM 1074 C HIS A 69 4.630 6.740 -8.752 1.00 0.00 C ATOM 1075 O HIS A 69 5.003 5.947 -7.888 1.00 0.00 O ATOM 1076 CB HIS A 69 5.968 8.668 -9.684 1.00 0.00 C ATOM 1077 CG HIS A 69 6.053 10.174 -9.774 1.00 0.00 C ATOM 1078 ND1 HIS A 69 5.017 11.012 -10.129 1.00 0.00 N ATOM 1079 CD2 HIS A 69 7.109 10.967 -9.410 1.00 0.00 C ATOM 1080 CE1 HIS A 69 5.437 12.274 -9.970 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.723 12.302 -9.584 1.00 0.00 N ATOM 0 H HIS A 69 6.430 8.402 -7.208 1.00 0.00 H new ATOM 0 HA HIS A 69 4.005 8.773 -8.831 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.945 8.261 -9.421 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.703 8.257 -10.658 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.069 10.624 -9.052 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.825 13.149 -10.130 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.303 13.130 -9.445 1.00 0.00 H new ATOM 1089 N HIS A 70 3.946 6.371 -9.830 1.00 0.00 N ATOM 1090 CA HIS A 70 3.711 4.985 -10.197 1.00 0.00 C ATOM 1091 C HIS A 70 4.948 4.491 -10.923 1.00 0.00 C ATOM 1092 O HIS A 70 5.529 5.232 -11.721 1.00 0.00 O ATOM 1093 CB HIS A 70 2.489 4.905 -11.108 1.00 0.00 C ATOM 1094 CG HIS A 70 2.259 3.574 -11.775 1.00 0.00 C ATOM 1095 ND1 HIS A 70 2.830 3.143 -12.953 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.434 2.583 -11.328 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.347 1.914 -13.204 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.480 1.533 -12.250 1.00 0.00 N ATOM 0 H HIS A 70 3.534 7.039 -10.481 1.00 0.00 H new ATOM 0 HA HIS A 70 3.522 4.369 -9.317 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.605 5.155 -10.522 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.585 5.667 -11.882 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.848 2.606 -10.421 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.619 1.313 -14.059 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.961 0.656 -12.207 1.00 0.00 H new ATOM 1106 N GLY A 71 5.329 3.244 -10.662 1.00 0.00 N ATOM 1107 CA GLY A 71 6.487 2.589 -11.236 1.00 0.00 C ATOM 1108 C GLY A 71 7.787 3.343 -10.967 1.00 0.00 C ATOM 1109 O GLY A 71 8.738 3.174 -11.729 1.00 0.00 O ATOM 0 H GLY A 71 4.815 2.643 -10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.567 1.580 -10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.346 2.489 -12.312 1.00 0.00 H new ATOM 1113 N ASN A 72 7.822 4.249 -9.981 1.00 0.00 N ATOM 1114 CA ASN A 72 8.993 5.052 -9.675 1.00 0.00 C ATOM 1115 C ASN A 72 8.865 5.576 -8.244 1.00 0.00 C ATOM 1116 O ASN A 72 8.403 6.699 -8.042 1.00 0.00 O ATOM 1117 CB ASN A 72 9.137 6.211 -10.688 1.00 0.00 C ATOM 1118 CG ASN A 72 10.547 6.788 -10.672 1.00 0.00 C ATOM 1119 OD1 ASN A 72 11.494 6.168 -10.190 1.00 0.00 O ATOM 1120 ND2 ASN A 72 10.719 7.987 -11.193 1.00 0.00 N ATOM 0 H ASN A 72 7.026 4.440 -9.373 1.00 0.00 H new ATOM 0 HA ASN A 72 9.893 4.442 -9.754 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.900 5.853 -11.690 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.418 6.995 -10.451 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.646 8.412 -11.200 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.925 8.490 -11.589 1.00 0.00 H new ATOM 1127 N ALA A 73 9.214 4.768 -7.241 1.00 0.00 N ATOM 1128 CA ALA A 73 9.045 5.115 -5.825 1.00 0.00 C ATOM 1129 C ALA A 73 10.373 5.266 -5.070 1.00 0.00 C ATOM 1130 O ALA A 73 10.365 5.500 -3.858 1.00 0.00 O ATOM 1131 CB ALA A 73 8.157 4.057 -5.165 1.00 0.00 C ATOM 0 H ALA A 73 9.625 3.846 -7.388 1.00 0.00 H new ATOM 0 HA ALA A 73 8.572 6.096 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.022 4.301 -4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.186 4.037 -5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.630 3.079 -5.253 1.00 0.00 H new ATOM 1137 N MET A 74 11.511 5.157 -5.764 1.00 0.00 N ATOM 1138 CA MET A 74 12.813 5.051 -5.136 1.00 0.00 C ATOM 1139 C MET A 74 13.158 6.337 -4.407 1.00 0.00 C ATOM 1140 O MET A 74 13.810 6.276 -3.376 1.00 0.00 O ATOM 1141 CB MET A 74 13.898 4.769 -6.182 1.00 0.00 C ATOM 1142 CG MET A 74 13.919 3.304 -6.616 1.00 0.00 C ATOM 1143 SD MET A 74 15.307 2.946 -7.723 1.00 0.00 S ATOM 1144 CE MET A 74 15.188 1.144 -7.805 1.00 0.00 C ATOM 0 H MET A 74 11.544 5.141 -6.783 1.00 0.00 H new ATOM 0 HA MET A 74 12.772 4.226 -4.425 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.732 5.402 -7.054 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.872 5.039 -5.774 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.984 2.665 -5.735 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.983 3.061 -7.118 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.976 0.756 -8.451 1.00 0.00 H new ATOM 0 HE2 MET A 74 15.301 0.726 -6.805 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.216 0.862 -8.209 1.00 0.00 H new ATOM 1154 N GLU A 75 12.758 7.501 -4.912 1.00 0.00 N ATOM 1155 CA GLU A 75 13.094 8.759 -4.258 1.00 0.00 C ATOM 1156 C GLU A 75 12.381 8.879 -2.901 1.00 0.00 C ATOM 1157 O GLU A 75 13.060 9.072 -1.890 1.00 0.00 O ATOM 1158 CB GLU A 75 12.849 9.929 -5.215 1.00 0.00 C ATOM 1159 CG GLU A 75 14.049 10.117 -6.159 1.00 0.00 C ATOM 1160 CD GLU A 75 13.963 11.408 -6.978 1.00 0.00 C ATOM 1161 OE1 GLU A 75 12.880 11.726 -7.513 1.00 0.00 O ATOM 1162 OE2 GLU A 75 14.983 12.127 -7.143 1.00 0.00 O ATOM 0 H GLU A 75 12.206 7.598 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 75 14.157 8.785 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.946 9.746 -5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.681 10.843 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.968 10.124 -5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.109 9.265 -6.837 1.00 0.00 H new ATOM 1169 N PHE A 76 11.055 8.685 -2.837 1.00 0.00 N ATOM 1170 CA PHE A 76 10.313 8.509 -1.597 1.00 0.00 C ATOM 1171 C PHE A 76 10.968 7.455 -0.689 1.00 0.00 C ATOM 1172 O PHE A 76 11.128 7.720 0.503 1.00 0.00 O ATOM 1173 CB PHE A 76 8.860 8.183 -1.975 1.00 0.00 C ATOM 1174 CG PHE A 76 7.989 7.616 -0.879 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.355 8.462 0.049 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.780 6.228 -0.832 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.553 7.899 1.065 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.925 5.680 0.138 1.00 0.00 C ATOM 1179 CZ PHE A 76 6.332 6.516 1.097 1.00 0.00 C ATOM 0 H PHE A 76 10.464 8.647 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 76 10.325 9.422 -1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.391 9.095 -2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.874 7.473 -2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.481 9.533 -0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.276 5.582 -1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.110 8.534 1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.724 4.619 0.146 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.702 6.091 1.864 1.00 0.00 H new ATOM 1189 N ALA A 77 11.393 6.301 -1.216 1.00 0.00 N ATOM 1190 CA ALA A 77 12.082 5.284 -0.423 1.00 0.00 C ATOM 1191 C ALA A 77 13.409 5.813 0.150 1.00 0.00 C ATOM 1192 O ALA A 77 13.674 5.651 1.348 1.00 0.00 O ATOM 1193 CB ALA A 77 12.285 4.017 -1.266 1.00 0.00 C ATOM 0 H ALA A 77 11.269 6.050 -2.197 1.00 0.00 H new ATOM 0 HA ALA A 77 11.459 5.029 0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.799 3.262 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.316 3.632 -1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.885 4.256 -2.144 1.00 0.00 H new ATOM 1199 N LYS A 78 14.228 6.493 -0.663 1.00 0.00 N ATOM 1200 CA LYS A 78 15.513 7.059 -0.246 1.00 0.00 C ATOM 1201 C LYS A 78 15.317 8.111 0.828 1.00 0.00 C ATOM 1202 O LYS A 78 16.186 8.222 1.691 1.00 0.00 O ATOM 1203 CB LYS A 78 16.320 7.637 -1.428 1.00 0.00 C ATOM 1204 CG LYS A 78 16.855 6.558 -2.391 1.00 0.00 C ATOM 1205 CD LYS A 78 18.293 6.770 -2.885 1.00 0.00 C ATOM 1206 CE LYS A 78 19.339 6.707 -1.761 1.00 0.00 C ATOM 1207 NZ LYS A 78 20.707 6.483 -2.280 1.00 0.00 N ATOM 0 H LYS A 78 14.011 6.667 -1.644 1.00 0.00 H new ATOM 0 HA LYS A 78 16.097 6.236 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.689 8.330 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.159 8.213 -1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.799 5.590 -1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.195 6.509 -3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.528 6.013 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.360 7.739 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 78 19.316 7.637 -1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 78 19.079 5.905 -1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 21.378 6.448 -1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 20.738 5.583 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 20.968 7.261 -2.919 1.00 0.00 H new ATOM 1221 N LYS A 79 14.209 8.860 0.838 1.00 0.00 N ATOM 1222 CA LYS A 79 13.926 9.783 1.939 1.00 0.00 C ATOM 1223 C LYS A 79 13.814 9.063 3.276 1.00 0.00 C ATOM 1224 O LYS A 79 13.966 9.721 4.305 1.00 0.00 O ATOM 1225 CB LYS A 79 12.640 10.579 1.705 1.00 0.00 C ATOM 1226 CG LYS A 79 12.783 11.544 0.518 1.00 0.00 C ATOM 1227 CD LYS A 79 11.778 12.697 0.541 1.00 0.00 C ATOM 1228 CE LYS A 79 10.392 12.241 0.080 1.00 0.00 C ATOM 1229 NZ LYS A 79 9.441 13.369 0.026 1.00 0.00 N ATOM 0 H LYS A 79 13.501 8.845 0.104 1.00 0.00 H new ATOM 0 HA LYS A 79 14.773 10.468 1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.814 9.892 1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.390 11.142 2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.793 11.954 0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.661 10.986 -0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.712 13.103 1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.131 13.502 -0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.468 11.781 -0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.014 11.478 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.512 13.025 -0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.350 13.792 0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.790 14.086 -0.642 1.00 0.00 H new ATOM 1243 N HIS A 80 13.551 7.755 3.295 1.00 0.00 N ATOM 1244 CA HIS A 80 13.327 6.990 4.508 1.00 0.00 C ATOM 1245 C HIS A 80 14.368 5.871 4.613 1.00 0.00 C ATOM 1246 O HIS A 80 14.146 4.836 5.251 1.00 0.00 O ATOM 1247 CB HIS A 80 11.867 6.538 4.521 1.00 0.00 C ATOM 1248 CG HIS A 80 10.904 7.674 4.262 1.00 0.00 C ATOM 1249 ND1 HIS A 80 9.881 7.666 3.349 1.00 0.00 N ATOM 1250 CD2 HIS A 80 10.962 8.936 4.792 1.00 0.00 C ATOM 1251 CE1 HIS A 80 9.324 8.885 3.339 1.00 0.00 C ATOM 1252 NE2 HIS A 80 9.950 9.702 4.208 1.00 0.00 N ATOM 0 H HIS A 80 13.488 7.193 2.446 1.00 0.00 H new ATOM 0 HA HIS A 80 13.471 7.584 5.411 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.723 5.765 3.766 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.639 6.086 5.486 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.668 9.279 5.533 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.488 9.173 2.719 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.730 10.679 4.400 1.00 0.00 H new ATOM 1260 N GLY A 81 15.531 6.097 3.995 1.00 0.00 N ATOM 1261 CA GLY A 81 16.761 5.363 4.245 1.00 0.00 C ATOM 1262 C GLY A 81 16.912 4.084 3.447 1.00 0.00 C ATOM 1263 O GLY A 81 17.981 3.464 3.492 1.00 0.00 O ATOM 0 H GLY A 81 15.639 6.821 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.607 6.014 4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.813 5.121 5.306 1.00 0.00 H new ATOM 1267 N ALA A 82 15.852 3.685 2.752 1.00 0.00 N ATOM 1268 CA ALA A 82 15.878 2.574 1.819 1.00 0.00 C ATOM 1269 C ALA A 82 16.506 3.112 0.537 1.00 0.00 C ATOM 1270 O ALA A 82 15.873 3.885 -0.173 1.00 0.00 O ATOM 1271 CB ALA A 82 14.455 2.049 1.591 1.00 0.00 C ATOM 0 H ALA A 82 14.939 4.134 2.825 1.00 0.00 H new ATOM 0 HA ALA A 82 16.458 1.731 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.483 1.215 0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.035 1.712 2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.834 2.846 1.182 1.00 0.00 H new ATOM 1277 N ASP A 83 17.768 2.776 0.269 1.00 0.00 N ATOM 1278 CA ASP A 83 18.404 3.136 -0.989 1.00 0.00 C ATOM 1279 C ASP A 83 17.791 2.367 -2.159 1.00 0.00 C ATOM 1280 O ASP A 83 16.889 1.556 -1.987 1.00 0.00 O ATOM 1281 CB ASP A 83 19.919 2.941 -0.941 1.00 0.00 C ATOM 1282 CG ASP A 83 20.409 1.637 -0.337 1.00 0.00 C ATOM 1283 OD1 ASP A 83 20.004 0.542 -0.779 1.00 0.00 O ATOM 1284 OD2 ASP A 83 21.283 1.729 0.551 1.00 0.00 O ATOM 0 H ASP A 83 18.367 2.255 0.910 1.00 0.00 H new ATOM 0 HA ASP A 83 18.219 4.198 -1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.306 3.014 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.353 3.765 -0.374 1.00 0.00 H new ATOM 1289 N GLU A 84 18.283 2.621 -3.370 1.00 0.00 N ATOM 1290 CA GLU A 84 17.753 2.028 -4.601 1.00 0.00 C ATOM 1291 C GLU A 84 17.820 0.513 -4.530 1.00 0.00 C ATOM 1292 O GLU A 84 16.930 -0.169 -5.017 1.00 0.00 O ATOM 1293 CB GLU A 84 18.565 2.485 -5.818 1.00 0.00 C ATOM 1294 CG GLU A 84 18.647 4.002 -5.858 1.00 0.00 C ATOM 1295 CD GLU A 84 19.273 4.534 -7.144 1.00 0.00 C ATOM 1296 OE1 GLU A 84 18.605 4.586 -8.197 1.00 0.00 O ATOM 1297 OE2 GLU A 84 20.412 5.049 -7.072 1.00 0.00 O ATOM 0 H GLU A 84 19.069 3.251 -3.528 1.00 0.00 H new ATOM 0 HA GLU A 84 16.718 2.354 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 84 19.568 2.061 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 84 18.102 2.115 -6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.645 4.417 -5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 84 19.230 4.351 -5.006 1.00 0.00 H new ATOM 1304 N THR A 85 18.874 0.000 -3.903 1.00 0.00 N ATOM 1305 CA THR A 85 19.021 -1.429 -3.672 1.00 0.00 C ATOM 1306 C THR A 85 17.975 -1.938 -2.679 1.00 0.00 C ATOM 1307 O THR A 85 17.340 -2.951 -2.961 1.00 0.00 O ATOM 1308 CB THR A 85 20.443 -1.751 -3.205 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.369 -1.151 -4.097 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.684 -3.259 -3.169 1.00 0.00 C ATOM 0 H THR A 85 19.646 0.562 -3.543 1.00 0.00 H new ATOM 0 HA THR A 85 18.851 -1.949 -4.615 1.00 0.00 H new ATOM 0 HB THR A 85 20.574 -1.359 -2.197 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.282 -1.351 -3.804 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.702 -3.457 -2.834 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.978 -3.724 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.544 -3.674 -4.167 1.00 0.00 H new ATOM 1318 N MET A 86 17.785 -1.279 -1.534 1.00 0.00 N ATOM 1319 CA MET A 86 16.752 -1.622 -0.578 1.00 0.00 C ATOM 1320 C MET A 86 15.361 -1.557 -1.199 1.00 0.00 C ATOM 1321 O MET A 86 14.544 -2.423 -0.915 1.00 0.00 O ATOM 1322 CB MET A 86 16.837 -0.647 0.589 1.00 0.00 C ATOM 1323 CG MET A 86 18.025 -0.923 1.496 1.00 0.00 C ATOM 1324 SD MET A 86 17.730 -0.461 3.219 1.00 0.00 S ATOM 1325 CE MET A 86 19.301 -1.020 3.889 1.00 0.00 C ATOM 0 H MET A 86 18.356 -0.483 -1.249 1.00 0.00 H new ATOM 0 HA MET A 86 16.912 -2.647 -0.243 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.908 0.370 0.203 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.918 -0.704 1.173 1.00 0.00 H new ATOM 0 HG2 MET A 86 18.271 -1.984 1.448 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.892 -0.377 1.124 1.00 0.00 H new ATOM 0 HE1 MET A 86 19.329 -0.825 4.961 1.00 0.00 H new ATOM 0 HE2 MET A 86 19.412 -2.090 3.711 1.00 0.00 H new ATOM 0 HE3 MET A 86 20.116 -0.485 3.401 1.00 0.00 H new ATOM 1335 N ALA A 87 15.092 -0.568 -2.044 1.00 0.00 N ATOM 1336 CA ALA A 87 13.857 -0.514 -2.801 1.00 0.00 C ATOM 1337 C ALA A 87 13.808 -1.722 -3.727 1.00 0.00 C ATOM 1338 O ALA A 87 12.894 -2.529 -3.632 1.00 0.00 O ATOM 1339 CB ALA A 87 13.758 0.818 -3.552 1.00 0.00 C ATOM 0 H ALA A 87 15.724 0.213 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 87 12.991 -0.558 -2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.827 0.848 -4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.776 1.641 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.601 0.914 -4.236 1.00 0.00 H new ATOM 1345 N GLN A 88 14.804 -1.922 -4.590 1.00 0.00 N ATOM 1346 CA GLN A 88 14.764 -2.998 -5.570 1.00 0.00 C ATOM 1347 C GLN A 88 14.645 -4.379 -4.923 1.00 0.00 C ATOM 1348 O GLN A 88 13.974 -5.230 -5.491 1.00 0.00 O ATOM 1349 CB GLN A 88 15.977 -2.929 -6.509 1.00 0.00 C ATOM 1350 CG GLN A 88 15.744 -3.713 -7.812 1.00 0.00 C ATOM 1351 CD GLN A 88 14.593 -3.191 -8.678 1.00 0.00 C ATOM 1352 OE1 GLN A 88 14.016 -3.926 -9.478 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.229 -1.925 -8.584 1.00 0.00 N ATOM 0 H GLN A 88 15.648 -1.350 -4.627 1.00 0.00 H new ATOM 0 HA GLN A 88 13.860 -2.853 -6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.192 -1.887 -6.747 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.854 -3.327 -5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.661 -3.693 -8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.548 -4.756 -7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.700 -1.306 -7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.476 -1.566 -9.171 1.00 0.00 H new ATOM 1362 N GLN A 89 15.223 -4.595 -3.737 1.00 0.00 N ATOM 1363 CA GLN A 89 14.997 -5.782 -2.917 1.00 0.00 C ATOM 1364 C GLN A 89 13.493 -6.042 -2.752 1.00 0.00 C ATOM 1365 O GLN A 89 13.061 -7.188 -2.858 1.00 0.00 O ATOM 1366 CB GLN A 89 15.638 -5.584 -1.526 1.00 0.00 C ATOM 1367 CG GLN A 89 17.150 -5.851 -1.424 1.00 0.00 C ATOM 1368 CD GLN A 89 17.527 -7.326 -1.374 1.00 0.00 C ATOM 1369 OE1 GLN A 89 16.720 -8.208 -1.616 1.00 0.00 O ATOM 1370 NE2 GLN A 89 18.761 -7.657 -1.030 1.00 0.00 N ATOM 0 H GLN A 89 15.874 -3.933 -3.314 1.00 0.00 H new ATOM 0 HA GLN A 89 15.452 -6.639 -3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.450 -4.559 -1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.127 -6.237 -0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.646 -5.391 -2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.534 -5.360 -0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.446 -6.929 -0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.027 -8.640 -0.970 1.00 0.00 H new ATOM 1379 N LEU A 90 12.713 -5.002 -2.452 1.00 0.00 N ATOM 1380 CA LEU A 90 11.264 -5.056 -2.302 1.00 0.00 C ATOM 1381 C LEU A 90 10.533 -5.111 -3.645 1.00 0.00 C ATOM 1382 O LEU A 90 9.567 -5.852 -3.751 1.00 0.00 O ATOM 1383 CB LEU A 90 10.766 -3.832 -1.521 1.00 0.00 C ATOM 1384 CG LEU A 90 11.387 -3.643 -0.126 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.983 -2.268 0.414 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.994 -4.740 0.877 1.00 0.00 C ATOM 0 H LEU A 90 13.090 -4.066 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 90 11.043 -5.975 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.965 -2.939 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.684 -3.907 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 90 12.468 -3.715 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.418 -2.123 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.346 -1.492 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.897 -2.209 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.468 -4.541 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.911 -4.748 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.323 -5.710 0.503 1.00 0.00 H new ATOM 1398 N ILE A 91 10.938 -4.353 -4.660 1.00 0.00 N ATOM 1399 CA ILE A 91 10.288 -4.409 -5.971 1.00 0.00 C ATOM 1400 C ILE A 91 10.461 -5.795 -6.624 1.00 0.00 C ATOM 1401 O ILE A 91 9.540 -6.273 -7.291 1.00 0.00 O ATOM 1402 CB ILE A 91 10.756 -3.219 -6.842 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.147 -1.892 -6.322 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.324 -3.375 -8.307 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.085 -0.973 -5.547 1.00 0.00 C ATOM 0 H ILE A 91 11.713 -3.692 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 91 9.210 -4.294 -5.857 1.00 0.00 H new ATOM 0 HB ILE A 91 11.844 -3.203 -6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.755 -1.339 -7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.299 -2.133 -5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.673 -2.518 -8.883 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.755 -4.288 -8.718 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.237 -3.430 -8.362 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.544 -0.079 -5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 91 11.460 -1.495 -4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.923 -0.688 -6.183 1.00 0.00 H new ATOM 1417 N ASP A 92 11.588 -6.483 -6.407 1.00 0.00 N ATOM 1418 CA ASP A 92 11.793 -7.850 -6.905 1.00 0.00 C ATOM 1419 C ASP A 92 10.723 -8.767 -6.316 1.00 0.00 C ATOM 1420 O ASP A 92 10.087 -9.542 -7.029 1.00 0.00 O ATOM 1421 CB ASP A 92 13.195 -8.377 -6.542 1.00 0.00 C ATOM 1422 CG ASP A 92 13.867 -9.096 -7.710 1.00 0.00 C ATOM 1423 OD1 ASP A 92 14.405 -8.406 -8.611 1.00 0.00 O ATOM 1424 OD2 ASP A 92 13.972 -10.346 -7.691 1.00 0.00 O ATOM 0 H ASP A 92 12.381 -6.111 -5.884 1.00 0.00 H new ATOM 0 HA ASP A 92 11.714 -7.836 -7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.822 -7.544 -6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 92 13.116 -9.059 -5.696 1.00 0.00 H new ATOM 1429 N ILE A 93 10.495 -8.640 -5.007 1.00 0.00 N ATOM 1430 CA ILE A 93 9.399 -9.247 -4.279 1.00 0.00 C ATOM 1431 C ILE A 93 8.038 -8.833 -4.856 1.00 0.00 C ATOM 1432 O ILE A 93 7.204 -9.721 -5.021 1.00 0.00 O ATOM 1433 CB ILE A 93 9.555 -8.902 -2.782 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.799 -9.608 -2.220 1.00 0.00 C ATOM 1435 CG2 ILE A 93 8.283 -9.230 -1.997 1.00 0.00 C ATOM 1436 CD1 ILE A 93 11.184 -9.153 -0.806 1.00 0.00 C ATOM 0 H ILE A 93 11.103 -8.084 -4.406 1.00 0.00 H new ATOM 0 HA ILE A 93 9.434 -10.331 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 93 9.702 -7.827 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.621 -10.683 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.640 -9.430 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.427 -8.975 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.449 -8.655 -2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.065 -10.294 -2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.071 -9.696 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.395 -8.084 -0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.360 -9.356 -0.122 1.00 0.00 H new ATOM 1448 N VAL A 94 7.777 -7.549 -5.145 1.00 0.00 N ATOM 1449 CA VAL A 94 6.474 -7.107 -5.647 1.00 0.00 C ATOM 1450 C VAL A 94 6.125 -7.924 -6.886 1.00 0.00 C ATOM 1451 O VAL A 94 5.048 -8.529 -6.926 1.00 0.00 O ATOM 1452 CB VAL A 94 6.410 -5.572 -5.895 1.00 0.00 C ATOM 1453 CG1 VAL A 94 5.242 -5.042 -6.768 1.00 0.00 C ATOM 1454 CG2 VAL A 94 6.332 -4.820 -4.556 1.00 0.00 C ATOM 0 H VAL A 94 8.458 -6.797 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 94 5.720 -7.288 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 94 7.325 -5.385 -6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.319 -3.959 -6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.294 -5.494 -7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.292 -5.300 -6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.288 -3.747 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.438 -5.131 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.215 -5.048 -3.959 1.00 0.00 H new ATOM 1464 N HIS A 95 7.036 -7.974 -7.860 1.00 0.00 N ATOM 1465 CA HIS A 95 6.812 -8.664 -9.121 1.00 0.00 C ATOM 1466 C HIS A 95 6.954 -10.182 -8.963 1.00 0.00 C ATOM 1467 O HIS A 95 6.461 -10.933 -9.803 1.00 0.00 O ATOM 1468 CB HIS A 95 7.801 -8.129 -10.162 1.00 0.00 C ATOM 1469 CG HIS A 95 7.779 -6.627 -10.345 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.856 -5.879 -10.749 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.743 -5.759 -10.106 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.492 -4.589 -10.724 1.00 0.00 C ATOM 1473 NE2 HIS A 95 7.194 -4.466 -10.397 1.00 0.00 N ATOM 0 H HIS A 95 7.953 -7.533 -7.791 1.00 0.00 H new ATOM 0 HA HIS A 95 5.792 -8.473 -9.453 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.808 -8.431 -9.875 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.588 -8.601 -11.121 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.757 -6.026 -9.756 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.152 -3.761 -10.938 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.648 -3.605 -10.367 1.00 0.00 H new ATOM 1481 N GLY A 96 7.597 -10.643 -7.889 1.00 0.00 N ATOM 1482 CA GLY A 96 7.726 -12.038 -7.494 1.00 0.00 C ATOM 1483 C GLY A 96 6.447 -12.597 -6.878 1.00 0.00 C ATOM 1484 O GLY A 96 6.160 -13.792 -6.973 1.00 0.00 O ATOM 0 H GLY A 96 8.067 -10.014 -7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.995 -12.635 -8.366 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.542 -12.134 -6.777 1.00 0.00 H new ATOM 1488 N CYS A 97 5.646 -11.731 -6.270 1.00 0.00 N ATOM 1489 CA CYS A 97 4.495 -12.114 -5.468 1.00 0.00 C ATOM 1490 C CYS A 97 3.235 -12.185 -6.314 1.00 0.00 C ATOM 1491 O CYS A 97 2.262 -12.857 -5.954 1.00 0.00 O ATOM 1492 CB CYS A 97 4.334 -11.131 -4.311 1.00 0.00 C ATOM 1493 SG CYS A 97 5.379 -11.543 -2.894 1.00 0.00 S ATOM 0 H CYS A 97 5.783 -10.722 -6.323 1.00 0.00 H new ATOM 0 HA CYS A 97 4.661 -13.112 -5.062 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.577 -10.126 -4.657 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.291 -11.115 -3.995 1.00 0.00 H new ATOM 1498 N GLU A 98 3.260 -11.518 -7.466 1.00 0.00 N ATOM 1499 CA GLU A 98 2.237 -11.660 -8.480 1.00 0.00 C ATOM 1500 C GLU A 98 2.276 -13.083 -9.060 1.00 0.00 C ATOM 1501 O GLU A 98 1.327 -13.509 -9.717 1.00 0.00 O ATOM 1502 CB GLU A 98 2.502 -10.683 -9.619 1.00 0.00 C ATOM 1503 CG GLU A 98 2.336 -9.210 -9.253 1.00 0.00 C ATOM 1504 CD GLU A 98 2.581 -8.374 -10.516 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.815 -8.561 -11.489 1.00 0.00 O ATOM 1506 OE2 GLU A 98 3.615 -7.681 -10.627 1.00 0.00 O ATOM 0 H GLU A 98 3.999 -10.861 -7.716 1.00 0.00 H new ATOM 0 HA GLU A 98 1.267 -11.460 -8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.517 -10.840 -9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.827 -10.916 -10.443 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.335 -9.025 -8.863 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.040 -8.931 -8.469 1.00 0.00 H new ATOM 1513 N LYS A 99 3.401 -13.792 -8.899 1.00 0.00 N ATOM 1514 CA LYS A 99 3.659 -15.080 -9.532 1.00 0.00 C ATOM 1515 C LYS A 99 3.067 -16.195 -8.688 1.00 0.00 C ATOM 1516 O LYS A 99 2.309 -17.029 -9.190 1.00 0.00 O ATOM 1517 CB LYS A 99 5.152 -15.319 -9.738 1.00 0.00 C ATOM 1518 CG LYS A 99 5.874 -14.118 -10.318 1.00 0.00 C ATOM 1519 CD LYS A 99 5.339 -13.645 -11.663 1.00 0.00 C ATOM 1520 CE LYS A 99 5.646 -14.651 -12.766 1.00 0.00 C ATOM 1521 NZ LYS A 99 5.322 -14.095 -14.091 1.00 0.00 N ATOM 0 H LYS A 99 4.171 -13.474 -8.310 1.00 0.00 H new ATOM 0 HA LYS A 99 3.186 -15.071 -10.514 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.607 -15.582 -8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.289 -16.173 -10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.811 -13.294 -9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.930 -14.364 -10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.262 -13.494 -11.595 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.781 -12.681 -11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.700 -14.925 -12.730 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.074 -15.564 -12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.540 -14.799 -14.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.311 -13.856 -14.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.887 -13.237 -14.255 1.00 0.00 H new ATOM 1535 N SER A 100 3.443 -16.206 -7.410 1.00 0.00 N ATOM 1536 CA SER A 100 2.947 -17.137 -6.406 1.00 0.00 C ATOM 1537 C SER A 100 1.442 -16.972 -6.249 1.00 0.00 C ATOM 1538 O SER A 100 0.725 -17.970 -6.190 1.00 0.00 O ATOM 1539 CB SER A 100 3.697 -16.925 -5.097 1.00 0.00 C ATOM 1540 OG SER A 100 3.917 -15.539 -4.897 1.00 0.00 O ATOM 0 H SER A 100 4.123 -15.544 -7.036 1.00 0.00 H new ATOM 0 HA SER A 100 3.128 -18.164 -6.722 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.124 -17.337 -4.266 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.649 -17.455 -5.121 1.00 0.00 H new ATOM 0 HG SER A 100 4.113 -15.372 -3.951 1.00 0.00 H new ATOM 1546 N THR A 101 0.954 -15.729 -6.239 1.00 0.00 N ATOM 1547 CA THR A 101 -0.479 -15.480 -6.301 1.00 0.00 C ATOM 1548 C THR A 101 -1.022 -15.935 -7.665 1.00 0.00 C ATOM 1549 O THR A 101 -0.612 -15.382 -8.687 1.00 0.00 O ATOM 1550 CB THR A 101 -0.791 -14.004 -6.016 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.154 -13.624 -4.807 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.288 -13.775 -5.835 1.00 0.00 C ATOM 0 H THR A 101 1.529 -14.888 -6.189 1.00 0.00 H new ATOM 0 HA THR A 101 -0.981 -16.060 -5.527 1.00 0.00 H new ATOM 0 HB THR A 101 -0.436 -13.418 -6.863 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.754 -13.310 -5.000 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.473 -12.720 -5.635 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.814 -14.070 -6.743 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.649 -14.372 -4.997 1.00 0.00 H new ATOM 1560 N PRO A 102 -1.940 -16.915 -7.736 1.00 0.00 N ATOM 1561 CA PRO A 102 -2.584 -17.278 -8.988 1.00 0.00 C ATOM 1562 C PRO A 102 -3.537 -16.157 -9.397 1.00 0.00 C ATOM 1563 O PRO A 102 -4.059 -15.441 -8.537 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.312 -18.590 -8.708 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.684 -18.458 -7.237 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.570 -17.609 -6.627 1.00 0.00 C ATOM 0 HA PRO A 102 -1.885 -17.410 -9.814 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.193 -18.707 -9.340 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.673 -19.454 -8.888 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.656 -17.981 -7.116 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.746 -19.434 -6.756 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.972 -16.901 -5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.850 -18.233 -6.098 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.751 -16.008 -10.705 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.555 -14.950 -11.290 1.00 0.00 C ATOM 1576 C ALA A 103 -6.014 -15.142 -10.889 1.00 0.00 C ATOM 1577 O ALA A 103 -6.751 -15.898 -11.525 1.00 0.00 O ATOM 1578 CB ALA A 103 -4.375 -14.952 -12.804 1.00 0.00 C ATOM 0 H ALA A 103 -3.356 -16.641 -11.401 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.232 -13.978 -10.918 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.979 -14.158 -13.243 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.325 -14.786 -13.046 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.692 -15.914 -13.207 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.395 -14.521 -9.783 1.00 0.00 N ATOM 1585 CA ASN A 104 -7.751 -14.568 -9.276 1.00 0.00 C ATOM 1586 C ASN A 104 -8.638 -13.795 -10.231 1.00 0.00 C ATOM 1587 O ASN A 104 -8.207 -12.778 -10.779 1.00 0.00 O ATOM 1588 CB ASN A 104 -7.805 -13.949 -7.879 1.00 0.00 C ATOM 1589 CG ASN A 104 -8.974 -14.475 -7.090 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -10.139 -14.287 -7.420 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -8.658 -15.177 -6.031 1.00 0.00 N ATOM 0 H ASN A 104 -5.762 -13.965 -9.209 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.095 -15.600 -9.204 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.878 -14.166 -7.347 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.879 -12.865 -7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.392 -15.586 -5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.678 -15.315 -5.784 1.00 0.00 H new ATOM 1598 N ASP A 105 -9.875 -14.243 -10.412 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.857 -13.486 -11.153 1.00 0.00 C ATOM 1600 C ASP A 105 -11.171 -12.156 -10.476 1.00 0.00 C ATOM 1601 O ASP A 105 -11.575 -11.200 -11.139 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.139 -14.280 -11.401 1.00 0.00 C ATOM 1603 CG ASP A 105 -12.976 -13.538 -12.439 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -12.493 -13.374 -13.584 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -14.082 -13.050 -12.132 1.00 0.00 O ATOM 0 H ASP A 105 -10.216 -15.134 -10.050 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.411 -13.276 -12.125 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.901 -15.283 -11.754 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.700 -14.393 -10.473 1.00 0.00 H new ATOM 1610 N ASP A 106 -10.938 -12.071 -9.169 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.218 -10.902 -8.359 1.00 0.00 C ATOM 1612 C ASP A 106 -9.901 -10.165 -8.120 1.00 0.00 C ATOM 1613 O ASP A 106 -9.029 -10.659 -7.399 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.817 -11.360 -7.030 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.421 -10.204 -6.253 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -11.766 -9.150 -6.140 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.531 -10.365 -5.699 1.00 0.00 O ATOM 0 H ASP A 106 -10.537 -12.841 -8.633 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.924 -10.238 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.584 -12.112 -7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.043 -11.837 -6.428 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.704 -8.994 -8.727 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.514 -8.202 -8.573 1.00 0.00 C ATOM 1624 C LYS A 107 -8.341 -7.769 -7.128 1.00 0.00 C ATOM 1625 O LYS A 107 -7.210 -7.730 -6.664 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.570 -7.032 -9.572 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.214 -6.874 -10.267 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.198 -6.397 -9.255 1.00 0.00 C ATOM 1629 CE LYS A 107 -5.130 -5.442 -9.813 1.00 0.00 C ATOM 1630 NZ LYS A 107 -4.123 -6.074 -10.692 1.00 0.00 N ATOM 0 H LYS A 107 -10.392 -8.573 -9.351 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.625 -8.788 -8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.349 -7.212 -10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.831 -6.110 -9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.899 -7.824 -10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.292 -6.161 -11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.724 -5.896 -8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -5.699 -7.266 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.629 -4.649 -10.370 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.615 -4.969 -8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.408 -5.369 -10.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.662 -6.857 -10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.589 -6.442 -11.546 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.417 -7.501 -6.390 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.292 -7.183 -4.976 1.00 0.00 C ATOM 1646 C CYS A 108 -8.587 -8.332 -4.234 1.00 0.00 C ATOM 1647 O CYS A 108 -7.730 -8.106 -3.377 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.672 -7.005 -4.337 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.022 -6.119 -5.155 1.00 0.00 S ATOM 0 H CYS A 108 -10.373 -7.498 -6.746 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.717 -6.260 -4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.045 -8.006 -4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.510 -6.509 -3.380 1.00 0.00 H new ATOM 1654 N ILE A 109 -8.993 -9.569 -4.523 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.507 -10.782 -3.868 1.00 0.00 C ATOM 1656 C ILE A 109 -7.094 -11.113 -4.340 1.00 0.00 C ATOM 1657 O ILE A 109 -6.248 -11.423 -3.497 1.00 0.00 O ATOM 1658 CB ILE A 109 -9.529 -11.930 -4.044 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -10.893 -11.494 -3.458 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.013 -13.212 -3.373 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.003 -12.526 -3.618 1.00 0.00 C ATOM 0 H ILE A 109 -9.691 -9.759 -5.242 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.424 -10.623 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.660 -12.146 -5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.766 -11.275 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.203 -10.567 -3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.743 -14.011 -3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.067 -13.506 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -8.863 -13.030 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -12.924 -12.141 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.161 -12.729 -4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.719 -13.448 -3.111 1.00 0.00 H new ATOM 1673 N TRP A 110 -6.827 -11.014 -5.645 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.478 -11.098 -6.198 1.00 0.00 C ATOM 1675 C TRP A 110 -4.575 -10.126 -5.442 1.00 0.00 C ATOM 1676 O TRP A 110 -3.678 -10.595 -4.743 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.467 -10.867 -7.715 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.116 -10.938 -8.377 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.515 -12.079 -8.776 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.175 -9.871 -8.719 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.317 -11.795 -9.401 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.058 -10.443 -9.403 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.142 -8.477 -8.512 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.003 -9.664 -9.905 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.088 -7.683 -8.998 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.043 -8.270 -9.727 1.00 0.00 C ATOM 0 H TRP A 110 -7.549 -10.872 -6.351 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.089 -12.107 -6.061 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.119 -11.606 -8.181 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -5.899 -9.887 -7.918 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -3.914 -13.072 -8.628 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.702 -12.498 -9.810 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -3.947 -8.007 -7.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.174 -10.128 -10.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.083 -6.620 -8.810 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.268 -7.650 -10.152 1.00 0.00 H new ATOM 1697 N THR A 111 -4.835 -8.815 -5.498 1.00 0.00 N ATOM 1698 CA THR A 111 -4.063 -7.805 -4.789 1.00 0.00 C ATOM 1699 C THR A 111 -3.809 -8.141 -3.311 1.00 0.00 C ATOM 1700 O THR A 111 -2.670 -8.012 -2.856 1.00 0.00 O ATOM 1701 CB THR A 111 -4.775 -6.469 -5.024 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.774 -6.281 -6.418 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.098 -5.275 -4.370 1.00 0.00 C ATOM 0 H THR A 111 -5.601 -8.426 -6.048 1.00 0.00 H new ATOM 0 HA THR A 111 -3.048 -7.756 -5.182 1.00 0.00 H new ATOM 0 HB THR A 111 -5.769 -6.520 -4.579 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.610 -6.627 -6.795 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.667 -4.371 -4.586 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.054 -5.427 -3.292 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.087 -5.170 -4.763 1.00 0.00 H new ATOM 1711 N LEU A 112 -4.797 -8.615 -2.537 1.00 0.00 N ATOM 1712 CA LEU A 112 -4.530 -8.994 -1.147 1.00 0.00 C ATOM 1713 C LEU A 112 -3.596 -10.197 -1.019 1.00 0.00 C ATOM 1714 O LEU A 112 -2.794 -10.267 -0.084 1.00 0.00 O ATOM 1715 CB LEU A 112 -5.813 -9.291 -0.416 1.00 0.00 C ATOM 1716 CG LEU A 112 -5.613 -9.323 1.119 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -4.733 -8.230 1.751 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -6.994 -9.055 1.660 1.00 0.00 C ATOM 0 H LEU A 112 -5.762 -8.742 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.030 -8.136 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.557 -8.536 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.207 -10.251 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.121 -10.268 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.685 -8.380 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.728 -8.284 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.162 -7.250 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.964 -9.056 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.341 -8.084 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.677 -9.831 1.315 1.00 0.00 H new ATOM 1730 N GLY A 113 -3.717 -11.149 -1.942 1.00 0.00 N ATOM 1731 CA GLY A 113 -2.782 -12.243 -2.117 1.00 0.00 C ATOM 1732 C GLY A 113 -1.369 -11.700 -2.287 1.00 0.00 C ATOM 1733 O GLY A 113 -0.497 -12.019 -1.473 1.00 0.00 O ATOM 0 H GLY A 113 -4.492 -11.175 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.823 -12.909 -1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.061 -12.834 -2.989 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.159 -10.841 -3.290 1.00 0.00 N ATOM 1738 CA VAL A 114 0.146 -10.254 -3.574 1.00 0.00 C ATOM 1739 C VAL A 114 0.672 -9.529 -2.320 1.00 0.00 C ATOM 1740 O VAL A 114 1.791 -9.779 -1.881 1.00 0.00 O ATOM 1741 CB VAL A 114 0.113 -9.330 -4.816 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.538 -9.211 -5.341 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.727 -9.843 -5.996 1.00 0.00 C ATOM 0 H VAL A 114 -1.894 -10.535 -3.927 1.00 0.00 H new ATOM 0 HA VAL A 114 0.840 -11.057 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.336 -8.397 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 114 1.550 -8.565 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 114 2.176 -8.784 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.909 -10.199 -5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.684 -9.123 -6.813 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.332 -10.801 -6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.762 -9.969 -5.678 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.151 -8.695 -1.676 1.00 0.00 N ATOM 1754 CA ALA A 115 0.236 -7.933 -0.492 1.00 0.00 C ATOM 1755 C ALA A 115 0.585 -8.822 0.708 1.00 0.00 C ATOM 1756 O ALA A 115 1.460 -8.464 1.501 1.00 0.00 O ATOM 1757 CB ALA A 115 -0.902 -6.978 -0.116 1.00 0.00 C ATOM 0 H ALA A 115 -1.114 -8.531 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 115 1.140 -7.379 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.620 -6.406 0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.093 -6.296 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.804 -7.552 0.097 1.00 0.00 H new ATOM 1763 N THR A 116 -0.100 -9.955 0.881 1.00 0.00 N ATOM 1764 CA THR A 116 0.236 -10.938 1.906 1.00 0.00 C ATOM 1765 C THR A 116 1.621 -11.511 1.608 1.00 0.00 C ATOM 1766 O THR A 116 2.476 -11.517 2.499 1.00 0.00 O ATOM 1767 CB THR A 116 -0.859 -12.019 1.969 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.070 -11.411 2.383 1.00 0.00 O ATOM 1769 CG2 THR A 116 -0.536 -13.169 2.930 1.00 0.00 C ATOM 0 H THR A 116 -0.905 -10.214 0.311 1.00 0.00 H new ATOM 0 HA THR A 116 0.276 -10.474 2.891 1.00 0.00 H new ATOM 0 HB THR A 116 -0.935 -12.452 0.971 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.487 -10.959 1.620 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.353 -13.891 2.921 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.385 -13.659 2.615 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.411 -12.776 3.939 1.00 0.00 H new ATOM 1777 N CYS A 117 1.841 -11.940 0.361 1.00 0.00 N ATOM 1778 CA CYS A 117 3.117 -12.455 -0.092 1.00 0.00 C ATOM 1779 C CYS A 117 4.227 -11.442 0.174 1.00 0.00 C ATOM 1780 O CYS A 117 5.227 -11.835 0.772 1.00 0.00 O ATOM 1781 CB CYS A 117 3.026 -12.871 -1.563 1.00 0.00 C ATOM 1782 SG CYS A 117 4.606 -13.336 -2.314 1.00 0.00 S ATOM 0 H CYS A 117 1.123 -11.935 -0.363 1.00 0.00 H new ATOM 0 HA CYS A 117 3.372 -13.350 0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.337 -13.712 -1.647 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.596 -12.048 -2.134 1.00 0.00 H new ATOM 1787 N PHE A 118 4.045 -10.153 -0.177 1.00 0.00 N ATOM 1788 CA PHE A 118 5.077 -9.144 0.018 1.00 0.00 C ATOM 1789 C PHE A 118 5.595 -9.197 1.464 1.00 0.00 C ATOM 1790 O PHE A 118 6.752 -9.522 1.714 1.00 0.00 O ATOM 1791 CB PHE A 118 4.545 -7.755 -0.403 1.00 0.00 C ATOM 1792 CG PHE A 118 5.530 -6.593 -0.342 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.874 -6.797 -0.005 1.00 0.00 C ATOM 1794 CD2 PHE A 118 5.125 -5.286 -0.665 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.788 -5.743 0.016 1.00 0.00 C ATOM 1796 CE2 PHE A 118 6.027 -4.210 -0.578 1.00 0.00 C ATOM 1797 CZ PHE A 118 7.357 -4.432 -0.220 1.00 0.00 C ATOM 0 H PHE A 118 3.187 -9.797 -0.597 1.00 0.00 H new ATOM 0 HA PHE A 118 5.935 -9.349 -0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 118 4.171 -7.830 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.693 -7.511 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.210 -7.793 0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.109 -5.106 -0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.831 -5.939 0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.688 -3.207 -0.789 1.00 0.00 H new ATOM 0 HZ PHE A 118 8.044 -3.604 -0.126 1.00 0.00 H new ATOM 1807 N LYS A 119 4.727 -8.947 2.438 1.00 0.00 N ATOM 1808 CA LYS A 119 5.021 -9.008 3.872 1.00 0.00 C ATOM 1809 C LYS A 119 5.818 -10.260 4.245 1.00 0.00 C ATOM 1810 O LYS A 119 6.834 -10.174 4.935 1.00 0.00 O ATOM 1811 CB LYS A 119 3.688 -8.976 4.634 1.00 0.00 C ATOM 1812 CG LYS A 119 3.723 -8.153 5.933 1.00 0.00 C ATOM 1813 CD LYS A 119 4.533 -8.832 7.048 1.00 0.00 C ATOM 1814 CE LYS A 119 4.244 -8.248 8.437 1.00 0.00 C ATOM 1815 NZ LYS A 119 4.848 -6.917 8.653 1.00 0.00 N ATOM 0 H LYS A 119 3.760 -8.686 2.246 1.00 0.00 H new ATOM 0 HA LYS A 119 5.641 -8.153 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.918 -8.568 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.394 -9.998 4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.151 -7.173 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.703 -7.988 6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.309 -9.899 7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.596 -8.731 6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.165 -8.176 8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.617 -8.935 9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.615 -6.581 9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.881 -6.984 8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.474 -6.248 7.950 1.00 0.00 H new ATOM 1829 N ALA A 120 5.340 -11.420 3.804 1.00 0.00 N ATOM 1830 CA ALA A 120 5.964 -12.700 4.117 1.00 0.00 C ATOM 1831 C ALA A 120 7.375 -12.857 3.524 1.00 0.00 C ATOM 1832 O ALA A 120 8.160 -13.662 4.031 1.00 0.00 O ATOM 1833 CB ALA A 120 5.058 -13.827 3.632 1.00 0.00 C ATOM 0 H ALA A 120 4.508 -11.498 3.219 1.00 0.00 H new ATOM 0 HA ALA A 120 6.088 -12.744 5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.518 -14.788 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.092 -13.758 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.916 -13.742 2.555 1.00 0.00 H new ATOM 1839 N GLU A 121 7.714 -12.122 2.463 1.00 0.00 N ATOM 1840 CA GLU A 121 9.071 -12.032 1.932 1.00 0.00 C ATOM 1841 C GLU A 121 9.883 -10.996 2.707 1.00 0.00 C ATOM 1842 O GLU A 121 11.048 -11.253 2.997 1.00 0.00 O ATOM 1843 CB GLU A 121 9.054 -11.646 0.452 1.00 0.00 C ATOM 1844 CG GLU A 121 8.520 -12.749 -0.472 1.00 0.00 C ATOM 1845 CD GLU A 121 9.602 -13.747 -0.890 1.00 0.00 C ATOM 1846 OE1 GLU A 121 10.350 -14.272 -0.037 1.00 0.00 O ATOM 1847 OE2 GLU A 121 9.706 -14.082 -2.090 1.00 0.00 O ATOM 0 H GLU A 121 7.039 -11.563 1.941 1.00 0.00 H new ATOM 0 HA GLU A 121 9.533 -13.013 2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.442 -10.753 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.066 -11.385 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.716 -13.283 0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.089 -12.293 -1.363 1.00 0.00 H new ATOM 1854 N ILE A 122 9.298 -9.854 3.101 1.00 0.00 N ATOM 1855 CA ILE A 122 9.991 -8.872 3.942 1.00 0.00 C ATOM 1856 C ILE A 122 10.559 -9.569 5.179 1.00 0.00 C ATOM 1857 O ILE A 122 11.681 -9.284 5.585 1.00 0.00 O ATOM 1858 CB ILE A 122 9.090 -7.681 4.348 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.536 -6.929 3.124 1.00 0.00 C ATOM 1860 CG2 ILE A 122 9.871 -6.718 5.259 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.609 -5.755 3.474 1.00 0.00 C ATOM 0 H ILE A 122 8.346 -9.590 2.849 1.00 0.00 H new ATOM 0 HA ILE A 122 10.803 -8.449 3.350 1.00 0.00 H new ATOM 0 HB ILE A 122 8.236 -8.084 4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.372 -6.554 2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.991 -7.633 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 122 9.230 -5.883 5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 122 10.193 -7.247 6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.745 -6.342 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.262 -5.279 2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.752 -6.124 4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.154 -5.028 4.076 1.00 0.00 H new ATOM 1873 N HIS A 123 9.812 -10.509 5.754 1.00 0.00 N ATOM 1874 CA HIS A 123 10.217 -11.249 6.937 1.00 0.00 C ATOM 1875 C HIS A 123 11.565 -11.978 6.768 1.00 0.00 C ATOM 1876 O HIS A 123 12.273 -12.162 7.756 1.00 0.00 O ATOM 1877 CB HIS A 123 9.080 -12.211 7.281 1.00 0.00 C ATOM 1878 CG HIS A 123 9.058 -12.683 8.708 1.00 0.00 C ATOM 1879 ND1 HIS A 123 8.831 -13.976 9.101 1.00 0.00 N ATOM 1880 CD2 HIS A 123 9.057 -11.898 9.833 1.00 0.00 C ATOM 1881 CE1 HIS A 123 8.672 -13.974 10.427 1.00 0.00 C ATOM 1882 NE2 HIS A 123 8.809 -12.735 10.935 1.00 0.00 N ATOM 0 H HIS A 123 8.894 -10.779 5.402 1.00 0.00 H new ATOM 0 HA HIS A 123 10.391 -10.553 7.757 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.131 -11.722 7.061 1.00 0.00 H new ATOM 0 HB3 HIS A 123 9.149 -13.081 6.627 1.00 0.00 H new ATOM 0 HD2 HIS A 123 9.218 -10.831 9.866 1.00 0.00 H new ATOM 0 HE1 HIS A 123 8.461 -14.854 11.016 1.00 0.00 H new ATOM 0 HE2 HIS A 123 8.746 -12.461 11.915 1.00 0.00 H new ATOM 1890 N LYS A 124 11.956 -12.351 5.541 1.00 0.00 N ATOM 1891 CA LYS A 124 13.258 -12.959 5.243 1.00 0.00 C ATOM 1892 C LYS A 124 14.385 -11.934 5.136 1.00 0.00 C ATOM 1893 O LYS A 124 15.551 -12.323 5.261 1.00 0.00 O ATOM 1894 CB LYS A 124 13.189 -13.674 3.889 1.00 0.00 C ATOM 1895 CG LYS A 124 12.470 -15.029 3.900 1.00 0.00 C ATOM 1896 CD LYS A 124 11.892 -15.239 2.501 1.00 0.00 C ATOM 1897 CE LYS A 124 11.555 -16.690 2.173 1.00 0.00 C ATOM 1898 NZ LYS A 124 10.539 -16.728 1.104 1.00 0.00 N ATOM 0 H LYS A 124 11.367 -12.236 4.716 1.00 0.00 H new ATOM 0 HA LYS A 124 13.471 -13.639 6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.686 -13.020 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 124 14.205 -13.823 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.162 -15.831 4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 124 11.679 -15.040 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 124 10.989 -14.637 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.607 -14.869 1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.453 -17.220 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.182 -17.198 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.619 -16.995 1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 10.464 -15.789 0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.817 -17.427 0.386 1.00 0.00 H new ATOM 1912 N LEU A 125 14.100 -10.665 4.823 1.00 0.00 N ATOM 1913 CA LEU A 125 15.149 -9.662 4.683 1.00 0.00 C ATOM 1914 C LEU A 125 15.821 -9.461 6.030 1.00 0.00 C ATOM 1915 O LEU A 125 15.237 -9.676 7.094 1.00 0.00 O ATOM 1916 CB LEU A 125 14.605 -8.311 4.190 1.00 0.00 C ATOM 1917 CG LEU A 125 14.302 -8.265 2.680 1.00 0.00 C ATOM 1918 CD1 LEU A 125 13.355 -7.112 2.323 1.00 0.00 C ATOM 1919 CD2 LEU A 125 15.629 -8.072 1.940 1.00 0.00 C ATOM 0 H LEU A 125 13.156 -10.314 4.664 1.00 0.00 H new ATOM 0 HA LEU A 125 15.858 -10.025 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.693 -8.077 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.329 -7.532 4.428 1.00 0.00 H new ATOM 0 HG LEU A 125 13.813 -9.195 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 125 13.167 -7.115 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.413 -7.236 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.812 -6.164 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 125 15.445 -8.036 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 125 16.092 -7.139 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.296 -8.904 2.166 1.00 0.00 H new ATOM 1931 N ASN A 126 17.053 -8.971 5.961 1.00 0.00 N ATOM 1932 CA ASN A 126 17.845 -8.670 7.154 1.00 0.00 C ATOM 1933 C ASN A 126 17.439 -7.333 7.774 1.00 0.00 C ATOM 1934 O ASN A 126 17.868 -6.998 8.875 1.00 0.00 O ATOM 1935 CB ASN A 126 19.344 -8.677 6.835 1.00 0.00 C ATOM 1936 CG ASN A 126 20.172 -8.694 8.117 1.00 0.00 C ATOM 1937 OD1 ASN A 126 20.007 -9.568 8.965 1.00 0.00 O ATOM 1938 ND2 ASN A 126 21.094 -7.765 8.279 1.00 0.00 N ATOM 0 H ASN A 126 17.532 -8.771 5.083 1.00 0.00 H new ATOM 0 HA ASN A 126 17.643 -9.454 7.883 1.00 0.00 H new ATOM 0 HB2 ASN A 126 19.587 -9.549 6.228 1.00 0.00 H new ATOM 0 HB3 ASN A 126 19.599 -7.797 6.244 1.00 0.00 H new ATOM 0 HD21 ASN A 126 21.679 -7.767 9.115 1.00 0.00 H new ATOM 0 HD22 ASN A 126 21.222 -7.044 7.569 1.00 0.00 H new ATOM 1945 N TRP A 127 16.603 -6.564 7.078 1.00 0.00 N ATOM 1946 CA TRP A 127 16.035 -5.313 7.554 1.00 0.00 C ATOM 1947 C TRP A 127 14.522 -5.375 7.386 1.00 0.00 C ATOM 1948 O TRP A 127 13.986 -6.307 6.787 1.00 0.00 O ATOM 1949 CB TRP A 127 16.640 -4.124 6.798 1.00 0.00 C ATOM 1950 CG TRP A 127 16.337 -4.072 5.329 1.00 0.00 C ATOM 1951 CD1 TRP A 127 16.708 -4.990 4.405 1.00 0.00 C ATOM 1952 CD2 TRP A 127 15.540 -3.081 4.613 1.00 0.00 C ATOM 1953 NE1 TRP A 127 16.130 -4.680 3.192 1.00 0.00 N ATOM 1954 CE2 TRP A 127 15.381 -3.529 3.270 1.00 0.00 C ATOM 1955 CE3 TRP A 127 14.924 -1.859 4.962 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 14.603 -2.838 2.338 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 14.196 -1.118 4.011 1.00 0.00 C ATOM 1958 CH2 TRP A 127 14.028 -1.609 2.703 1.00 0.00 C ATOM 0 H TRP A 127 16.295 -6.807 6.136 1.00 0.00 H new ATOM 0 HA TRP A 127 16.271 -5.171 8.609 1.00 0.00 H new ATOM 0 HB2 TRP A 127 16.282 -3.203 7.258 1.00 0.00 H new ATOM 0 HB3 TRP A 127 17.722 -4.146 6.928 1.00 0.00 H new ATOM 0 HD1 TRP A 127 17.356 -5.834 4.590 1.00 0.00 H new ATOM 0 HE1 TRP A 127 16.244 -5.235 2.344 1.00 0.00 H new ATOM 0 HE3 TRP A 127 15.012 -1.488 5.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.445 -3.243 1.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.764 -0.167 4.287 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.458 -1.042 1.981 1.00 0.00 H new ATOM 1969 N ALA A 128 13.842 -4.368 7.918 1.00 0.00 N ATOM 1970 CA ALA A 128 12.393 -4.246 7.895 1.00 0.00 C ATOM 1971 C ALA A 128 12.046 -2.805 7.503 1.00 0.00 C ATOM 1972 O ALA A 128 12.233 -1.904 8.329 1.00 0.00 O ATOM 1973 CB ALA A 128 11.808 -4.633 9.255 1.00 0.00 C ATOM 0 H ALA A 128 14.300 -3.590 8.392 1.00 0.00 H new ATOM 0 HA ALA A 128 11.956 -4.926 7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.723 -4.537 9.225 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.075 -5.664 9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.209 -3.973 10.025 1.00 0.00 H new ATOM 1979 N PRO A 129 11.596 -2.549 6.262 1.00 0.00 N ATOM 1980 CA PRO A 129 11.166 -1.222 5.847 1.00 0.00 C ATOM 1981 C PRO A 129 9.999 -0.764 6.722 1.00 0.00 C ATOM 1982 O PRO A 129 9.192 -1.592 7.170 1.00 0.00 O ATOM 1983 CB PRO A 129 10.723 -1.335 4.382 1.00 0.00 C ATOM 1984 CG PRO A 129 10.971 -2.790 3.977 1.00 0.00 C ATOM 1985 CD PRO A 129 11.268 -3.543 5.261 1.00 0.00 C ATOM 0 HA PRO A 129 11.970 -0.493 5.950 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.671 -1.073 4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.290 -0.652 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 129 10.099 -3.208 3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.807 -2.863 3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.406 -4.134 5.571 1.00 0.00 H new ATOM 0 HD3 PRO A 129 12.096 -4.237 5.119 1.00 0.00 H new ATOM 1993 N SER A 130 9.856 0.545 6.919 1.00 0.00 N ATOM 1994 CA SER A 130 8.641 1.069 7.513 1.00 0.00 C ATOM 1995 C SER A 130 7.471 0.891 6.546 1.00 0.00 C ATOM 1996 O SER A 130 7.654 0.703 5.342 1.00 0.00 O ATOM 1997 CB SER A 130 8.829 2.538 7.873 1.00 0.00 C ATOM 1998 OG SER A 130 9.924 2.675 8.763 1.00 0.00 O ATOM 0 H SER A 130 10.556 1.247 6.679 1.00 0.00 H new ATOM 0 HA SER A 130 8.419 0.518 8.427 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.006 3.124 6.971 1.00 0.00 H new ATOM 0 HB3 SER A 130 7.922 2.928 8.334 1.00 0.00 H new ATOM 0 HG SER A 130 10.044 3.620 8.991 1.00 0.00 H new ATOM 2004 N MET A 131 6.257 0.976 7.082 1.00 0.00 N ATOM 2005 CA MET A 131 5.035 0.802 6.309 1.00 0.00 C ATOM 2006 C MET A 131 4.872 1.870 5.241 1.00 0.00 C ATOM 2007 O MET A 131 4.338 1.581 4.174 1.00 0.00 O ATOM 2008 CB MET A 131 3.818 0.855 7.238 1.00 0.00 C ATOM 2009 CG MET A 131 3.432 -0.530 7.754 1.00 0.00 C ATOM 2010 SD MET A 131 1.704 -0.949 7.452 1.00 0.00 S ATOM 2011 CE MET A 131 1.830 -2.745 7.597 1.00 0.00 C ATOM 0 H MET A 131 6.094 1.169 8.070 1.00 0.00 H new ATOM 0 HA MET A 131 5.106 -0.168 5.818 1.00 0.00 H new ATOM 0 HB2 MET A 131 4.035 1.509 8.082 1.00 0.00 H new ATOM 0 HB3 MET A 131 2.974 1.292 6.705 1.00 0.00 H new ATOM 0 HG2 MET A 131 4.068 -1.277 7.279 1.00 0.00 H new ATOM 0 HG3 MET A 131 3.628 -0.579 8.825 1.00 0.00 H new ATOM 0 HE1 MET A 131 0.933 -3.207 7.185 1.00 0.00 H new ATOM 0 HE2 MET A 131 2.703 -3.094 7.046 1.00 0.00 H new ATOM 0 HE3 MET A 131 1.930 -3.019 8.647 1.00 0.00 H new ATOM 2021 N ASP A 132 5.283 3.102 5.527 1.00 0.00 N ATOM 2022 CA ASP A 132 5.262 4.179 4.540 1.00 0.00 C ATOM 2023 C ASP A 132 5.990 3.730 3.289 1.00 0.00 C ATOM 2024 O ASP A 132 5.343 3.657 2.251 1.00 0.00 O ATOM 2025 CB ASP A 132 5.757 5.491 5.130 1.00 0.00 C ATOM 2026 CG ASP A 132 7.143 5.929 4.754 1.00 0.00 C ATOM 2027 OD1 ASP A 132 8.079 5.266 5.257 1.00 0.00 O ATOM 2028 OD2 ASP A 132 7.247 6.996 4.124 1.00 0.00 O ATOM 0 H ASP A 132 5.637 3.381 6.442 1.00 0.00 H new ATOM 0 HA ASP A 132 4.236 4.393 4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 132 5.062 6.278 4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 132 5.710 5.413 6.216 1.00 0.00 H new ATOM 2033 N VAL A 133 7.251 3.315 3.423 1.00 0.00 N ATOM 2034 CA VAL A 133 8.037 2.744 2.334 1.00 0.00 C ATOM 2035 C VAL A 133 7.317 1.512 1.781 1.00 0.00 C ATOM 2036 O VAL A 133 6.795 1.581 0.679 1.00 0.00 O ATOM 2037 CB VAL A 133 9.496 2.464 2.762 1.00 0.00 C ATOM 2038 CG1 VAL A 133 10.271 1.738 1.659 1.00 0.00 C ATOM 2039 CG2 VAL A 133 10.263 3.754 3.093 1.00 0.00 C ATOM 0 H VAL A 133 7.760 3.368 4.305 1.00 0.00 H new ATOM 0 HA VAL A 133 8.117 3.471 1.526 1.00 0.00 H new ATOM 0 HB VAL A 133 9.426 1.841 3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 133 11.293 1.556 1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.786 0.787 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 133 10.286 2.354 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 133 11.282 3.506 3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 133 10.287 4.399 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.765 4.274 3.911 1.00 0.00 H new ATOM 2049 N ALA A 134 7.259 0.401 2.525 1.00 0.00 N ATOM 2050 CA ALA A 134 6.836 -0.899 1.988 1.00 0.00 C ATOM 2051 C ALA A 134 5.475 -0.789 1.313 1.00 0.00 C ATOM 2052 O ALA A 134 5.329 -1.167 0.157 1.00 0.00 O ATOM 2053 CB ALA A 134 6.805 -1.959 3.096 1.00 0.00 C ATOM 0 H ALA A 134 7.504 0.377 3.515 1.00 0.00 H new ATOM 0 HA ALA A 134 7.564 -1.209 1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.489 -2.914 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.800 -2.063 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.103 -1.654 3.872 1.00 0.00 H new ATOM 2059 N VAL A 135 4.471 -0.285 2.024 1.00 0.00 N ATOM 2060 CA VAL A 135 3.136 -0.204 1.464 1.00 0.00 C ATOM 2061 C VAL A 135 3.075 0.898 0.390 1.00 0.00 C ATOM 2062 O VAL A 135 2.307 0.766 -0.555 1.00 0.00 O ATOM 2063 CB VAL A 135 2.082 -0.076 2.577 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.691 -0.287 1.987 1.00 0.00 C ATOM 2065 CG2 VAL A 135 2.277 -1.099 3.715 1.00 0.00 C ATOM 0 H VAL A 135 4.559 0.068 2.977 1.00 0.00 H new ATOM 0 HA VAL A 135 2.891 -1.133 0.949 1.00 0.00 H new ATOM 0 HB VAL A 135 2.195 0.923 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.056 -0.196 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.503 0.465 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.631 -1.281 1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.502 -0.957 4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 135 2.210 -2.109 3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 135 3.257 -0.955 4.170 1.00 0.00 H new ATOM 2075 N GLY A 136 3.901 1.942 0.473 1.00 0.00 N ATOM 2076 CA GLY A 136 4.019 2.981 -0.538 1.00 0.00 C ATOM 2077 C GLY A 136 4.525 2.424 -1.866 1.00 0.00 C ATOM 2078 O GLY A 136 3.980 2.793 -2.906 1.00 0.00 O ATOM 0 H GLY A 136 4.521 2.087 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 136 3.049 3.454 -0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.700 3.756 -0.186 1.00 0.00 H new ATOM 2082 N GLU A 137 5.527 1.540 -1.832 1.00 0.00 N ATOM 2083 CA GLU A 137 6.176 0.994 -3.015 1.00 0.00 C ATOM 2084 C GLU A 137 5.209 0.056 -3.729 1.00 0.00 C ATOM 2085 O GLU A 137 4.933 0.254 -4.904 1.00 0.00 O ATOM 2086 CB GLU A 137 7.496 0.286 -2.664 1.00 0.00 C ATOM 2087 CG GLU A 137 8.522 1.244 -2.014 1.00 0.00 C ATOM 2088 CD GLU A 137 9.963 1.110 -2.516 1.00 0.00 C ATOM 2089 OE1 GLU A 137 10.259 1.661 -3.600 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.781 0.544 -1.753 1.00 0.00 O ATOM 0 H GLU A 137 5.914 1.180 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 137 6.436 1.814 -3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.292 -0.541 -1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.926 -0.144 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.192 2.269 -2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.515 1.079 -0.937 1.00 0.00 H new ATOM 2097 N ILE A 138 4.603 -0.905 -3.016 1.00 0.00 N ATOM 2098 CA ILE A 138 3.676 -1.829 -3.674 1.00 0.00 C ATOM 2099 C ILE A 138 2.513 -1.065 -4.320 1.00 0.00 C ATOM 2100 O ILE A 138 2.029 -1.477 -5.369 1.00 0.00 O ATOM 2101 CB ILE A 138 3.208 -2.966 -2.730 1.00 0.00 C ATOM 2102 CG1 ILE A 138 2.266 -3.986 -3.418 1.00 0.00 C ATOM 2103 CG2 ILE A 138 2.528 -2.415 -1.466 1.00 0.00 C ATOM 2104 CD1 ILE A 138 1.931 -5.259 -2.611 1.00 0.00 C ATOM 0 H ILE A 138 4.733 -1.058 -2.016 1.00 0.00 H new ATOM 0 HA ILE A 138 4.216 -2.328 -4.479 1.00 0.00 H new ATOM 0 HB ILE A 138 4.119 -3.494 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.332 -3.479 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.720 -4.289 -4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.215 -3.244 -0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 138 3.230 -1.785 -0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.656 -1.825 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.266 -5.895 -3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 138 2.850 -5.802 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.441 -4.980 -1.678 1.00 0.00 H new ATOM 2116 N LEU A 139 2.043 0.041 -3.732 1.00 0.00 N ATOM 2117 CA LEU A 139 1.013 0.888 -4.323 1.00 0.00 C ATOM 2118 C LEU A 139 1.486 1.608 -5.575 1.00 0.00 C ATOM 2119 O LEU A 139 0.721 1.772 -6.514 1.00 0.00 O ATOM 2120 CB LEU A 139 0.542 1.908 -3.307 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.280 1.271 -2.168 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -0.560 2.299 -1.083 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.616 0.695 -2.608 1.00 0.00 C ATOM 0 H LEU A 139 2.373 0.372 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 139 0.194 0.231 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.406 2.421 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.063 2.663 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 139 0.335 0.448 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.141 1.837 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.383 2.667 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.123 3.131 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.129 0.267 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.229 1.486 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.449 -0.082 -3.354 1.00 0.00 H new ATOM 2135 N ALA A 140 2.731 2.041 -5.604 1.00 0.00 N ATOM 2136 CA ALA A 140 3.358 2.484 -6.847 1.00 0.00 C ATOM 2137 C ALA A 140 3.269 1.452 -7.990 1.00 0.00 C ATOM 2138 O ALA A 140 3.439 1.862 -9.136 1.00 0.00 O ATOM 2139 CB ALA A 140 4.805 2.933 -6.614 1.00 0.00 C ATOM 0 H ALA A 140 3.334 2.098 -4.783 1.00 0.00 H new ATOM 0 HA ALA A 140 2.778 3.345 -7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.242 3.256 -7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.819 3.761 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.384 2.101 -6.212 1.00 0.00 H new ATOM 2145 N GLU A 141 3.021 0.161 -7.731 1.00 0.00 N ATOM 2146 CA GLU A 141 3.163 -0.907 -8.719 1.00 0.00 C ATOM 2147 C GLU A 141 1.910 -1.778 -8.922 1.00 0.00 C ATOM 2148 O GLU A 141 1.383 -1.857 -10.036 1.00 0.00 O ATOM 2149 CB GLU A 141 4.392 -1.735 -8.315 1.00 0.00 C ATOM 2150 CG GLU A 141 5.688 -1.051 -8.811 1.00 0.00 C ATOM 2151 CD GLU A 141 6.838 -0.898 -7.798 1.00 0.00 C ATOM 2152 OE1 GLU A 141 6.876 -1.664 -6.815 1.00 0.00 O ATOM 2153 OE2 GLU A 141 7.719 -0.031 -8.068 1.00 0.00 O ATOM 0 H GLU A 141 2.713 -0.171 -6.817 1.00 0.00 H new ATOM 0 HA GLU A 141 3.298 -0.452 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 141 4.424 -1.846 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.318 -2.738 -8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.063 -1.617 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.427 -0.058 -9.177 1.00 0.00 H new ATOM 2160 N VAL A 142 1.483 -2.513 -7.894 1.00 0.00 N ATOM 2161 CA VAL A 142 0.498 -3.590 -8.002 1.00 0.00 C ATOM 2162 C VAL A 142 -0.859 -3.039 -8.431 1.00 0.00 C ATOM 2163 O VAL A 142 -1.574 -3.696 -9.222 1.00 0.00 O ATOM 2164 CB VAL A 142 0.450 -4.389 -6.680 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -0.947 -4.726 -6.127 1.00 0.00 C ATOM 2166 CG2 VAL A 142 1.218 -5.701 -6.853 1.00 0.00 C ATOM 0 H VAL A 142 1.820 -2.373 -6.942 1.00 0.00 H new ATOM 0 HA VAL A 142 0.796 -4.289 -8.783 1.00 0.00 H new ATOM 0 HB VAL A 142 0.899 -3.717 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.845 -5.287 -5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -1.495 -3.803 -5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.492 -5.326 -6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.186 -6.267 -5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.761 -6.288 -7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 142 2.255 -5.484 -7.110 1.00 0.00 H new