USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 785 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 98 LYS NZ :NH3+ -165:sc= 1.26 (180deg=0.321) USER MOD Set 1.2: A 101 GLN : amide:sc= 0.671 K(o=1.9,f=-2.7) USER MOD Set 2.1: A 39 LYS NZ :NH3+ 174:sc= 0.566 (180deg=0) USER MOD Set 2.2: A 96 ASN : amide:sc= 0.51 K(o=1.1,f=-2.4) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 66:sc= 1.35 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 89:sc= 0.761 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 0.892 (180deg=0.847) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 63:sc= 0.404 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -26:sc= 0.958 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 67:sc= 0.256 USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.18) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -63:sc= 0.0431 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N GLY A 19 -3.648 13.580 -0.591 1.00 0.00 N ATOM 106 CA GLY A 19 -4.800 12.825 -0.072 1.00 0.00 C ATOM 107 C GLY A 19 -4.419 11.668 0.845 1.00 0.00 C ATOM 108 O GLY A 19 -3.251 11.297 0.947 1.00 0.00 O ATOM 0 HA2 GLY A 19 -5.453 13.507 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.375 12.436 -0.912 1.00 0.00 H new ATOM 112 N ASP A 20 -5.406 11.050 1.491 1.00 0.00 N ATOM 113 CA ASP A 20 -5.218 9.904 2.380 1.00 0.00 C ATOM 114 C ASP A 20 -6.476 9.028 2.523 1.00 0.00 C ATOM 115 O ASP A 20 -7.597 9.477 2.267 1.00 0.00 O ATOM 116 CB ASP A 20 -4.714 10.378 3.752 1.00 0.00 C ATOM 117 CG ASP A 20 -5.787 11.102 4.584 1.00 0.00 C ATOM 118 OD1 ASP A 20 -5.921 12.343 4.455 1.00 0.00 O ATOM 119 OD2 ASP A 20 -6.471 10.432 5.395 1.00 0.00 O ATOM 0 H ASP A 20 -6.381 11.338 1.409 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.464 9.266 1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.350 9.518 4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.865 11.047 3.607 1.00 0.00 H new ATOM 124 N ALA A 21 -6.271 7.775 2.946 1.00 0.00 N ATOM 125 CA ALA A 21 -7.290 6.730 3.049 1.00 0.00 C ATOM 126 C ALA A 21 -6.835 5.598 3.997 1.00 0.00 C ATOM 127 O ALA A 21 -6.519 4.483 3.576 1.00 0.00 O ATOM 128 CB ALA A 21 -7.628 6.237 1.633 1.00 0.00 C ATOM 0 H ALA A 21 -5.349 7.450 3.238 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.200 7.130 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.387 5.457 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.007 7.069 1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.730 5.835 1.163 1.00 0.00 H new ATOM 134 N ASN A 22 -6.803 5.905 5.299 1.00 0.00 N ATOM 135 CA ASN A 22 -6.653 4.969 6.428 1.00 0.00 C ATOM 136 C ASN A 22 -5.354 4.131 6.394 1.00 0.00 C ATOM 137 O ASN A 22 -4.380 4.468 7.071 1.00 0.00 O ATOM 138 CB ASN A 22 -7.920 4.098 6.568 1.00 0.00 C ATOM 139 CG ASN A 22 -9.162 4.932 6.872 1.00 0.00 C ATOM 140 OD1 ASN A 22 -9.331 5.453 7.969 1.00 0.00 O ATOM 141 ND2 ASN A 22 -10.061 5.096 5.914 1.00 0.00 N ATOM 0 H ASN A 22 -6.886 6.871 5.616 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.547 5.576 7.327 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.077 3.538 5.646 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.771 3.368 7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.895 5.656 6.088 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.919 4.662 5.002 1.00 0.00 H new ATOM 148 N ILE A 23 -5.337 3.030 5.631 1.00 0.00 N ATOM 149 CA ILE A 23 -4.184 2.117 5.476 1.00 0.00 C ATOM 150 C ILE A 23 -3.177 2.669 4.444 1.00 0.00 C ATOM 151 O ILE A 23 -2.009 2.280 4.469 1.00 0.00 O ATOM 152 CB ILE A 23 -4.691 0.684 5.146 1.00 0.00 C ATOM 153 CG1 ILE A 23 -5.672 0.182 6.239 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.526 -0.319 4.996 1.00 0.00 C ATOM 155 CD1 ILE A 23 -6.333 -1.172 5.943 1.00 0.00 C ATOM 0 H ILE A 23 -6.147 2.736 5.086 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.635 2.052 6.415 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.213 0.744 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.133 0.108 7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.454 0.929 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.924 -1.307 4.766 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.869 0.005 4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.962 -0.363 5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.000 -1.438 6.763 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.905 -1.103 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.564 -1.937 5.838 1.00 0.00 H new ATOM 167 N PHE A 24 -3.585 3.603 3.570 1.00 0.00 N ATOM 168 CA PHE A 24 -2.701 4.247 2.602 1.00 0.00 C ATOM 169 C PHE A 24 -2.832 5.783 2.572 1.00 0.00 C ATOM 170 O PHE A 24 -3.786 6.359 3.099 1.00 0.00 O ATOM 171 CB PHE A 24 -2.898 3.582 1.231 1.00 0.00 C ATOM 172 CG PHE A 24 -4.246 3.757 0.555 1.00 0.00 C ATOM 173 CD1 PHE A 24 -5.361 3.003 0.967 1.00 0.00 C ATOM 174 CD2 PHE A 24 -4.370 4.633 -0.538 1.00 0.00 C ATOM 175 CE1 PHE A 24 -6.586 3.117 0.286 1.00 0.00 C ATOM 176 CE2 PHE A 24 -5.600 4.766 -1.205 1.00 0.00 C ATOM 177 CZ PHE A 24 -6.705 3.995 -0.805 1.00 0.00 C ATOM 0 H PHE A 24 -4.549 3.931 3.520 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.669 4.093 2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.132 3.966 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.715 2.514 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.275 2.334 1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.516 5.206 -0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.436 2.530 0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.696 5.461 -2.026 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.643 4.077 -1.334 1.00 0.00 H new ATOM 187 N ARG A 25 -1.846 6.449 1.957 1.00 0.00 N ATOM 188 CA ARG A 25 -1.707 7.911 1.848 1.00 0.00 C ATOM 189 C ARG A 25 -1.142 8.273 0.468 1.00 0.00 C ATOM 190 O ARG A 25 -0.319 7.532 -0.048 1.00 0.00 O ATOM 191 CB ARG A 25 -0.808 8.421 2.994 1.00 0.00 C ATOM 192 CG ARG A 25 -0.603 9.945 2.964 1.00 0.00 C ATOM 193 CD ARG A 25 0.206 10.442 4.168 1.00 0.00 C ATOM 194 NE ARG A 25 0.492 11.885 4.052 1.00 0.00 N ATOM 195 CZ ARG A 25 -0.312 12.897 4.364 1.00 0.00 C ATOM 196 NH1 ARG A 25 -1.514 12.713 4.873 1.00 0.00 N ATOM 197 NH2 ARG A 25 0.093 14.133 4.164 1.00 0.00 N ATOM 0 H ARG A 25 -1.081 5.957 1.496 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.679 8.395 1.942 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.251 8.138 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.162 7.928 2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.090 10.223 2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.574 10.441 2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.347 10.250 5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.141 9.886 4.237 1.00 0.00 H new ATOM 0 HE ARG A 25 1.413 12.135 3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.857 11.767 5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.101 13.516 5.099 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.018 14.309 3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.518 14.915 4.401 1.00 0.00 H new ATOM 211 N VAL A 26 -1.578 9.378 -0.133 1.00 0.00 N ATOM 212 CA VAL A 26 -1.245 9.769 -1.520 1.00 0.00 C ATOM 213 C VAL A 26 -0.520 11.120 -1.548 1.00 0.00 C ATOM 214 O VAL A 26 -1.015 12.101 -0.987 1.00 0.00 O ATOM 215 CB VAL A 26 -2.521 9.850 -2.387 1.00 0.00 C ATOM 216 CG1 VAL A 26 -2.224 10.246 -3.845 1.00 0.00 C ATOM 217 CG2 VAL A 26 -3.301 8.523 -2.373 1.00 0.00 C ATOM 0 H VAL A 26 -2.188 10.049 0.334 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.584 9.005 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.132 10.634 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.156 10.288 -4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.744 11.224 -3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.561 9.507 -4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.192 8.618 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.669 7.726 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.595 8.284 -1.351 1.00 0.00 H new ATOM 227 N ASP A 27 0.621 11.176 -2.245 1.00 0.00 N ATOM 228 CA ASP A 27 1.370 12.408 -2.519 1.00 0.00 C ATOM 229 C ASP A 27 1.210 12.822 -3.992 1.00 0.00 C ATOM 230 O ASP A 27 1.528 12.062 -4.909 1.00 0.00 O ATOM 231 CB ASP A 27 2.849 12.220 -2.156 1.00 0.00 C ATOM 232 CG ASP A 27 3.629 13.540 -2.291 1.00 0.00 C ATOM 233 OD1 ASP A 27 3.963 13.929 -3.435 1.00 0.00 O ATOM 234 OD2 ASP A 27 3.884 14.191 -1.250 1.00 0.00 O ATOM 0 H ASP A 27 1.060 10.346 -2.644 1.00 0.00 H new ATOM 0 HA ASP A 27 0.966 13.210 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.931 11.849 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.292 11.465 -2.805 1.00 0.00 H new ATOM 239 N LYS A 28 0.709 14.041 -4.215 1.00 0.00 N ATOM 240 CA LYS A 28 0.303 14.526 -5.541 1.00 0.00 C ATOM 241 C LYS A 28 1.435 15.220 -6.331 1.00 0.00 C ATOM 242 O LYS A 28 1.353 15.328 -7.554 1.00 0.00 O ATOM 243 CB LYS A 28 -0.888 15.475 -5.323 1.00 0.00 C ATOM 244 CG LYS A 28 -1.855 15.585 -6.514 1.00 0.00 C ATOM 245 CD LYS A 28 -2.774 14.358 -6.635 1.00 0.00 C ATOM 246 CE LYS A 28 -3.835 14.604 -7.718 1.00 0.00 C ATOM 247 NZ LYS A 28 -4.836 13.502 -7.777 1.00 0.00 N ATOM 0 H LYS A 28 0.572 14.727 -3.473 1.00 0.00 H new ATOM 0 HA LYS A 28 0.030 13.671 -6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.447 15.138 -4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.504 16.469 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.464 16.482 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.283 15.700 -7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.185 13.475 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.257 14.159 -5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.345 15.547 -7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.347 14.704 -8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.534 13.707 -8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.354 12.606 -7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.320 13.423 -6.860 1.00 0.00 H new ATOM 261 N ASP A 29 2.490 15.681 -5.654 1.00 0.00 N ATOM 262 CA ASP A 29 3.650 16.343 -6.272 1.00 0.00 C ATOM 263 C ASP A 29 4.624 15.318 -6.873 1.00 0.00 C ATOM 264 O ASP A 29 5.040 15.443 -8.025 1.00 0.00 O ATOM 265 CB ASP A 29 4.358 17.201 -5.216 1.00 0.00 C ATOM 266 CG ASP A 29 5.486 18.041 -5.838 1.00 0.00 C ATOM 267 OD1 ASP A 29 5.178 19.005 -6.579 1.00 0.00 O ATOM 268 OD2 ASP A 29 6.678 17.742 -5.582 1.00 0.00 O ATOM 0 H ASP A 29 2.567 15.605 -4.640 1.00 0.00 H new ATOM 0 HA ASP A 29 3.301 16.977 -7.087 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.634 17.860 -4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.769 16.557 -4.438 1.00 0.00 H new ATOM 273 N SER A 30 4.935 14.271 -6.110 1.00 0.00 N ATOM 274 CA SER A 30 5.708 13.106 -6.565 1.00 0.00 C ATOM 275 C SER A 30 4.837 12.029 -7.250 1.00 0.00 C ATOM 276 O SER A 30 5.373 11.051 -7.772 1.00 0.00 O ATOM 277 CB SER A 30 6.482 12.491 -5.386 1.00 0.00 C ATOM 278 OG SER A 30 7.456 13.396 -4.872 1.00 0.00 O ATOM 0 H SER A 30 4.651 14.203 -5.133 1.00 0.00 H new ATOM 0 HA SER A 30 6.407 13.469 -7.319 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.784 12.217 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.972 11.573 -5.710 1.00 0.00 H new ATOM 0 HG SER A 30 7.929 12.977 -4.123 1.00 0.00 H new ATOM 284 N ARG A 31 3.504 12.207 -7.269 1.00 0.00 N ATOM 285 CA ARG A 31 2.514 11.391 -7.987 1.00 0.00 C ATOM 286 C ARG A 31 2.530 9.909 -7.549 1.00 0.00 C ATOM 287 O ARG A 31 2.478 9.000 -8.383 1.00 0.00 O ATOM 288 CB ARG A 31 2.676 11.567 -9.509 1.00 0.00 C ATOM 289 CG ARG A 31 2.631 13.032 -9.977 1.00 0.00 C ATOM 290 CD ARG A 31 2.744 13.123 -11.503 1.00 0.00 C ATOM 291 NE ARG A 31 2.812 14.527 -11.953 1.00 0.00 N ATOM 292 CZ ARG A 31 3.901 15.283 -12.057 1.00 0.00 C ATOM 293 NH1 ARG A 31 5.102 14.838 -11.743 1.00 0.00 N ATOM 294 NH2 ARG A 31 3.794 16.520 -12.491 1.00 0.00 N ATOM 0 H ARG A 31 3.065 12.970 -6.753 1.00 0.00 H new ATOM 0 HA ARG A 31 1.523 11.755 -7.716 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.625 11.127 -9.817 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.887 11.010 -10.015 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.700 13.494 -9.649 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.444 13.591 -9.514 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.634 12.589 -11.836 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.886 12.633 -11.963 1.00 0.00 H new ATOM 0 HE ARG A 31 1.928 14.965 -12.212 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.220 13.882 -11.406 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.913 15.449 -11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.880 16.894 -12.745 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.625 17.105 -12.573 1.00 0.00 H new ATOM 308 N GLU A 32 2.622 9.665 -6.239 1.00 0.00 N ATOM 309 CA GLU A 32 2.867 8.342 -5.648 1.00 0.00 C ATOM 310 C GLU A 32 1.915 8.008 -4.489 1.00 0.00 C ATOM 311 O GLU A 32 1.190 8.877 -4.004 1.00 0.00 O ATOM 312 CB GLU A 32 4.332 8.233 -5.202 1.00 0.00 C ATOM 313 CG GLU A 32 4.753 9.095 -4.011 1.00 0.00 C ATOM 314 CD GLU A 32 6.188 8.717 -3.610 1.00 0.00 C ATOM 315 OE1 GLU A 32 6.378 7.619 -3.038 1.00 0.00 O ATOM 316 OE2 GLU A 32 7.133 9.487 -3.904 1.00 0.00 O ATOM 0 H GLU A 32 2.526 10.401 -5.539 1.00 0.00 H new ATOM 0 HA GLU A 32 2.664 7.603 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.536 7.191 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.966 8.491 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.700 10.152 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.073 8.939 -3.173 1.00 0.00 H new ATOM 323 N VAL A 33 1.940 6.749 -4.040 1.00 0.00 N ATOM 324 CA VAL A 33 1.098 6.236 -2.940 1.00 0.00 C ATOM 325 C VAL A 33 1.950 5.483 -1.905 1.00 0.00 C ATOM 326 O VAL A 33 2.925 4.821 -2.229 1.00 0.00 O ATOM 327 CB VAL A 33 -0.109 5.416 -3.481 1.00 0.00 C ATOM 328 CG1 VAL A 33 0.300 4.239 -4.385 1.00 0.00 C ATOM 329 CG2 VAL A 33 -1.020 4.888 -2.360 1.00 0.00 C ATOM 0 H VAL A 33 2.557 6.039 -4.435 1.00 0.00 H new ATOM 0 HA VAL A 33 0.658 7.081 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.664 6.134 -4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.593 3.714 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.849 4.616 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.934 3.552 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.844 4.324 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.445 4.238 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.417 5.727 -1.788 1.00 0.00 H new ATOM 339 N TYR A 34 1.600 5.609 -0.629 1.00 0.00 N ATOM 340 CA TYR A 34 2.260 4.976 0.511 1.00 0.00 C ATOM 341 C TYR A 34 1.267 4.028 1.188 1.00 0.00 C ATOM 342 O TYR A 34 0.248 4.477 1.701 1.00 0.00 O ATOM 343 CB TYR A 34 2.706 6.055 1.514 1.00 0.00 C ATOM 344 CG TYR A 34 3.772 7.024 1.031 1.00 0.00 C ATOM 345 CD1 TYR A 34 3.422 8.109 0.203 1.00 0.00 C ATOM 346 CD2 TYR A 34 5.104 6.880 1.469 1.00 0.00 C ATOM 347 CE1 TYR A 34 4.397 9.043 -0.193 1.00 0.00 C ATOM 348 CE2 TYR A 34 6.082 7.820 1.089 1.00 0.00 C ATOM 349 CZ TYR A 34 5.730 8.905 0.252 1.00 0.00 C ATOM 350 OH TYR A 34 6.665 9.830 -0.111 1.00 0.00 O ATOM 0 H TYR A 34 0.807 6.185 -0.346 1.00 0.00 H new ATOM 0 HA TYR A 34 3.135 4.421 0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.829 6.631 1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.077 5.557 2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.401 8.224 -0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.376 6.046 2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.126 9.866 -0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.099 7.713 1.436 1.00 0.00 H new ATOM 0 HH TYR A 34 7.531 9.590 0.279 1.00 0.00 H new ATOM 360 N MET A 35 1.561 2.730 1.207 1.00 0.00 N ATOM 361 CA MET A 35 0.911 1.738 2.063 1.00 0.00 C ATOM 362 C MET A 35 1.570 1.791 3.447 1.00 0.00 C ATOM 363 O MET A 35 2.750 2.123 3.565 1.00 0.00 O ATOM 364 CB MET A 35 1.056 0.365 1.380 1.00 0.00 C ATOM 365 CG MET A 35 0.102 -0.741 1.849 1.00 0.00 C ATOM 366 SD MET A 35 0.476 -1.550 3.421 1.00 0.00 S ATOM 367 CE MET A 35 -0.865 -2.763 3.451 1.00 0.00 C ATOM 0 H MET A 35 2.281 2.326 0.608 1.00 0.00 H new ATOM 0 HA MET A 35 -0.152 1.934 2.202 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.917 0.502 0.308 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.079 0.018 1.527 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.899 -0.315 1.919 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.069 -1.508 1.075 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.795 -3.361 4.360 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.824 -2.246 3.430 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.785 -3.415 2.581 1.00 0.00 H new ATOM 377 N HIS A 36 0.846 1.412 4.496 1.00 0.00 N ATOM 378 CA HIS A 36 1.353 1.352 5.878 1.00 0.00 C ATOM 379 C HIS A 36 2.664 0.534 6.049 1.00 0.00 C ATOM 380 O HIS A 36 3.430 0.780 6.984 1.00 0.00 O ATOM 381 CB HIS A 36 0.221 0.793 6.753 1.00 0.00 C ATOM 382 CG HIS A 36 0.520 0.843 8.227 1.00 0.00 C ATOM 383 ND1 HIS A 36 0.750 -0.265 9.047 1.00 0.00 N ATOM 384 CD2 HIS A 36 0.602 1.977 8.980 1.00 0.00 C ATOM 385 CE1 HIS A 36 0.972 0.236 10.274 1.00 0.00 C ATOM 386 NE2 HIS A 36 0.890 1.578 10.265 1.00 0.00 N ATOM 0 H HIS A 36 -0.131 1.131 4.415 1.00 0.00 H new ATOM 0 HA HIS A 36 1.635 2.359 6.184 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.691 1.356 6.556 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.026 -0.240 6.465 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.467 2.991 8.635 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.187 -0.359 11.149 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.019 2.192 11.069 1.00 0.00 H new ATOM 394 N GLU A 37 2.939 -0.398 5.126 1.00 0.00 N ATOM 395 CA GLU A 37 4.140 -1.244 5.081 1.00 0.00 C ATOM 396 C GLU A 37 5.088 -0.928 3.905 1.00 0.00 C ATOM 397 O GLU A 37 6.149 -1.547 3.825 1.00 0.00 O ATOM 398 CB GLU A 37 3.723 -2.734 5.024 1.00 0.00 C ATOM 399 CG GLU A 37 2.914 -3.199 6.248 1.00 0.00 C ATOM 400 CD GLU A 37 3.689 -3.164 7.582 1.00 0.00 C ATOM 401 OE1 GLU A 37 4.944 -3.124 7.596 1.00 0.00 O ATOM 402 OE2 GLU A 37 3.034 -3.210 8.651 1.00 0.00 O ATOM 0 H GLU A 37 2.301 -0.592 4.354 1.00 0.00 H new ATOM 0 HA GLU A 37 4.699 -1.028 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.132 -2.902 4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.618 -3.349 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.028 -2.571 6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.566 -4.217 6.072 1.00 0.00 H new ATOM 409 N LYS A 38 4.758 -0.011 2.973 1.00 0.00 N ATOM 410 CA LYS A 38 5.524 0.153 1.717 1.00 0.00 C ATOM 411 C LYS A 38 5.351 1.505 0.982 1.00 0.00 C ATOM 412 O LYS A 38 4.239 1.953 0.714 1.00 0.00 O ATOM 413 CB LYS A 38 5.176 -1.026 0.777 1.00 0.00 C ATOM 414 CG LYS A 38 6.338 -1.412 -0.159 1.00 0.00 C ATOM 415 CD LYS A 38 5.911 -2.361 -1.289 1.00 0.00 C ATOM 416 CE LYS A 38 5.109 -3.580 -0.795 1.00 0.00 C ATOM 417 NZ LYS A 38 4.555 -4.375 -1.934 1.00 0.00 N ATOM 0 H LYS A 38 3.968 0.627 3.065 1.00 0.00 H new ATOM 0 HA LYS A 38 6.575 0.153 2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.897 -1.892 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.306 -0.760 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.763 -0.507 -0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.127 -1.885 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.309 -1.808 -2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.799 -2.709 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.751 -4.216 -0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.293 -3.244 -0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.022 -5.187 -1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.923 -3.775 -2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.335 -4.717 -2.531 1.00 0.00 H new ATOM 431 N LYS A 39 6.466 2.100 0.544 1.00 0.00 N ATOM 432 CA LYS A 39 6.542 3.290 -0.327 1.00 0.00 C ATOM 433 C LYS A 39 6.412 2.881 -1.814 1.00 0.00 C ATOM 434 O LYS A 39 7.214 2.077 -2.289 1.00 0.00 O ATOM 435 CB LYS A 39 7.890 3.965 0.018 1.00 0.00 C ATOM 436 CG LYS A 39 8.179 5.339 -0.607 1.00 0.00 C ATOM 437 CD LYS A 39 8.677 5.297 -2.060 1.00 0.00 C ATOM 438 CE LYS A 39 9.314 6.652 -2.406 1.00 0.00 C ATOM 439 NZ LYS A 39 9.570 6.792 -3.864 1.00 0.00 N ATOM 0 H LYS A 39 7.390 1.751 0.798 1.00 0.00 H new ATOM 0 HA LYS A 39 5.725 3.993 -0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.945 4.071 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.691 3.287 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.270 5.939 -0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.924 5.850 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.404 4.495 -2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.849 5.086 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.657 7.456 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.252 6.761 -1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.905 7.756 -4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.294 6.105 -4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.691 6.613 -4.390 1.00 0.00 H new ATOM 453 N LEU A 40 5.407 3.391 -2.541 1.00 0.00 N ATOM 454 CA LEU A 40 5.021 2.936 -3.893 1.00 0.00 C ATOM 455 C LEU A 40 4.767 4.111 -4.848 1.00 0.00 C ATOM 456 O LEU A 40 3.688 4.702 -4.910 1.00 0.00 O ATOM 457 CB LEU A 40 3.780 2.026 -3.777 1.00 0.00 C ATOM 458 CG LEU A 40 4.134 0.600 -3.324 1.00 0.00 C ATOM 459 CD1 LEU A 40 2.968 0.018 -2.517 1.00 0.00 C ATOM 460 CD2 LEU A 40 4.475 -0.281 -4.534 1.00 0.00 C ATOM 0 H LEU A 40 4.821 4.153 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 40 5.848 2.371 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.077 2.465 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.275 1.982 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 40 5.017 0.630 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.217 -0.993 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.783 0.642 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.073 -0.009 -3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.723 -1.286 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.617 -0.326 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.328 0.143 -5.064 1.00 0.00 H new ATOM 472 N ASP A 41 5.779 4.406 -5.654 1.00 0.00 N ATOM 473 CA ASP A 41 5.674 5.304 -6.808 1.00 0.00 C ATOM 474 C ASP A 41 5.634 4.472 -8.099 1.00 0.00 C ATOM 475 O ASP A 41 6.279 3.424 -8.171 1.00 0.00 O ATOM 476 CB ASP A 41 6.881 6.258 -6.790 1.00 0.00 C ATOM 477 CG ASP A 41 6.951 7.211 -7.997 1.00 0.00 C ATOM 478 OD1 ASP A 41 5.890 7.652 -8.495 1.00 0.00 O ATOM 479 OD2 ASP A 41 8.088 7.506 -8.438 1.00 0.00 O ATOM 0 H ASP A 41 6.716 4.023 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 41 4.758 5.893 -6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.848 6.850 -5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.796 5.667 -6.754 1.00 0.00 H new ATOM 484 N LEU A 42 4.901 4.939 -9.119 1.00 0.00 N ATOM 485 CA LEU A 42 4.802 4.291 -10.432 1.00 0.00 C ATOM 486 C LEU A 42 4.313 5.293 -11.491 1.00 0.00 C ATOM 487 O LEU A 42 5.137 6.000 -12.074 1.00 0.00 O ATOM 488 CB LEU A 42 3.973 2.984 -10.305 1.00 0.00 C ATOM 489 CG LEU A 42 4.169 1.925 -11.414 1.00 0.00 C ATOM 490 CD1 LEU A 42 5.639 1.754 -11.802 1.00 0.00 C ATOM 491 CD2 LEU A 42 3.717 0.567 -10.859 1.00 0.00 C ATOM 0 H LEU A 42 4.350 5.795 -9.052 1.00 0.00 H new ATOM 0 HA LEU A 42 5.782 3.977 -10.792 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.212 2.522 -9.347 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.917 3.253 -10.274 1.00 0.00 H new ATOM 0 HG LEU A 42 3.600 2.253 -12.284 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.723 0.999 -12.584 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.031 2.703 -12.169 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.211 1.438 -10.930 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.845 -0.199 -11.623 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.318 0.313 -9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.667 0.622 -10.573 1.00 0.00 H new ATOM 503 N THR A 43 2.990 5.387 -11.684 1.00 0.00 N ATOM 504 CA THR A 43 2.281 6.355 -12.550 1.00 0.00 C ATOM 505 C THR A 43 0.831 6.465 -12.098 1.00 0.00 C ATOM 506 O THR A 43 0.359 5.596 -11.368 1.00 0.00 O ATOM 507 CB THR A 43 2.381 6.024 -14.061 1.00 0.00 C ATOM 508 OG1 THR A 43 2.812 4.704 -14.301 1.00 0.00 O ATOM 509 CG2 THR A 43 3.341 6.973 -14.782 1.00 0.00 C ATOM 0 H THR A 43 2.343 4.754 -11.214 1.00 0.00 H new ATOM 0 HA THR A 43 2.776 7.319 -12.438 1.00 0.00 H new ATOM 0 HB THR A 43 1.370 6.144 -14.449 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.135 4.075 -13.976 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.386 6.711 -15.839 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.986 7.998 -14.677 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.335 6.886 -14.344 1.00 0.00 H new ATOM 517 N ARG A 44 0.116 7.525 -12.497 1.00 0.00 N ATOM 518 CA ARG A 44 -1.179 7.894 -11.891 1.00 0.00 C ATOM 519 C ARG A 44 -2.209 6.751 -11.910 1.00 0.00 C ATOM 520 O ARG A 44 -2.848 6.463 -10.900 1.00 0.00 O ATOM 521 CB ARG A 44 -1.739 9.152 -12.583 1.00 0.00 C ATOM 522 CG ARG A 44 -2.806 9.875 -11.735 1.00 0.00 C ATOM 523 CD ARG A 44 -4.118 10.156 -12.482 1.00 0.00 C ATOM 524 NE ARG A 44 -4.967 8.953 -12.555 1.00 0.00 N ATOM 525 CZ ARG A 44 -5.314 8.244 -13.619 1.00 0.00 C ATOM 526 NH1 ARG A 44 -4.855 8.478 -14.832 1.00 0.00 N ATOM 527 NH2 ARG A 44 -6.164 7.264 -13.434 1.00 0.00 N ATOM 0 H ARG A 44 0.413 8.151 -13.245 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.991 8.107 -10.839 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.920 9.840 -12.793 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.173 8.871 -13.542 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.024 9.271 -10.854 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.393 10.819 -11.380 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.661 10.956 -11.978 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.896 10.508 -13.490 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.338 8.621 -11.665 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.195 9.240 -14.990 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.159 7.897 -15.613 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.529 7.075 -12.500 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.461 6.690 -14.224 1.00 0.00 H new ATOM 541 N ALA A 45 -2.317 6.053 -13.043 1.00 0.00 N ATOM 542 CA ALA A 45 -3.186 4.886 -13.216 1.00 0.00 C ATOM 543 C ALA A 45 -2.800 3.720 -12.278 1.00 0.00 C ATOM 544 O ALA A 45 -3.672 3.091 -11.680 1.00 0.00 O ATOM 545 CB ALA A 45 -3.122 4.507 -14.702 1.00 0.00 C ATOM 0 H ALA A 45 -1.791 6.289 -13.885 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.212 5.124 -12.934 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.756 3.639 -14.884 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.471 5.344 -15.306 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.093 4.268 -14.973 1.00 0.00 H new ATOM 551 N GLU A 46 -1.506 3.474 -12.073 1.00 0.00 N ATOM 552 CA GLU A 46 -0.992 2.411 -11.211 1.00 0.00 C ATOM 553 C GLU A 46 -1.169 2.731 -9.721 1.00 0.00 C ATOM 554 O GLU A 46 -1.488 1.876 -8.893 1.00 0.00 O ATOM 555 CB GLU A 46 0.483 2.206 -11.537 1.00 0.00 C ATOM 556 CG GLU A 46 0.659 1.423 -12.836 1.00 0.00 C ATOM 557 CD GLU A 46 0.113 2.175 -14.064 1.00 0.00 C ATOM 558 OE1 GLU A 46 0.680 3.240 -14.401 1.00 0.00 O ATOM 559 OE2 GLU A 46 -0.905 1.740 -14.650 1.00 0.00 O ATOM 0 H GLU A 46 -0.768 4.023 -12.513 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.561 1.501 -11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.977 3.174 -11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.968 1.673 -10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.717 1.211 -12.987 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.151 0.463 -12.748 1.00 0.00 H new ATOM 566 N TYR A 47 -1.036 4.008 -9.393 1.00 0.00 N ATOM 567 CA TYR A 47 -1.492 4.527 -8.098 1.00 0.00 C ATOM 568 C TYR A 47 -2.997 4.268 -7.895 1.00 0.00 C ATOM 569 O TYR A 47 -3.388 3.782 -6.833 1.00 0.00 O ATOM 570 CB TYR A 47 -1.054 5.999 -7.918 1.00 0.00 C ATOM 571 CG TYR A 47 -2.087 6.972 -7.361 1.00 0.00 C ATOM 572 CD1 TYR A 47 -2.728 6.728 -6.133 1.00 0.00 C ATOM 573 CD2 TYR A 47 -2.428 8.122 -8.092 1.00 0.00 C ATOM 574 CE1 TYR A 47 -3.783 7.556 -5.704 1.00 0.00 C ATOM 575 CE2 TYR A 47 -3.459 8.976 -7.659 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.161 8.681 -6.472 1.00 0.00 C ATOM 577 OH TYR A 47 -5.185 9.488 -6.072 1.00 0.00 O ATOM 0 H TYR A 47 -0.616 4.710 -10.002 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.005 3.980 -7.291 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.186 6.015 -7.259 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.725 6.374 -8.887 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.409 5.901 -5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.891 8.354 -9.000 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.305 7.331 -4.786 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.712 9.855 -8.234 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.304 10.212 -6.722 1.00 0.00 H new ATOM 587 N GLU A 48 -3.820 4.513 -8.915 1.00 0.00 N ATOM 588 CA GLU A 48 -5.262 4.239 -8.899 1.00 0.00 C ATOM 589 C GLU A 48 -5.585 2.756 -8.583 1.00 0.00 C ATOM 590 O GLU A 48 -6.365 2.482 -7.661 1.00 0.00 O ATOM 591 CB GLU A 48 -5.893 4.656 -10.243 1.00 0.00 C ATOM 592 CG GLU A 48 -7.262 5.323 -10.090 1.00 0.00 C ATOM 593 CD GLU A 48 -7.123 6.820 -9.782 1.00 0.00 C ATOM 594 OE1 GLU A 48 -6.753 7.584 -10.708 1.00 0.00 O ATOM 595 OE2 GLU A 48 -7.408 7.239 -8.634 1.00 0.00 O ATOM 0 H GLU A 48 -3.499 4.916 -9.795 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.695 4.832 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.218 5.342 -10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.995 3.775 -10.877 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.838 5.190 -11.006 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.819 4.835 -9.290 1.00 0.00 H new ATOM 602 N ILE A 49 -4.949 1.790 -9.273 1.00 0.00 N ATOM 603 CA ILE A 49 -5.219 0.359 -9.027 1.00 0.00 C ATOM 604 C ILE A 49 -4.732 -0.081 -7.651 1.00 0.00 C ATOM 605 O ILE A 49 -5.450 -0.814 -6.973 1.00 0.00 O ATOM 606 CB ILE A 49 -4.645 -0.601 -10.102 1.00 0.00 C ATOM 607 CG1 ILE A 49 -3.374 -0.112 -10.802 1.00 0.00 C ATOM 608 CG2 ILE A 49 -5.733 -1.044 -11.077 1.00 0.00 C ATOM 609 CD1 ILE A 49 -2.523 -1.177 -11.494 1.00 0.00 C ATOM 0 H ILE A 49 -4.253 1.970 -9.997 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.305 0.282 -9.081 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.302 -1.480 -9.556 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.659 0.633 -11.545 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.752 0.395 -10.064 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.304 -1.716 -11.820 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.522 -1.562 -10.531 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.151 -0.170 -11.577 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.653 -0.707 -11.952 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.194 -1.913 -10.760 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.115 -1.672 -12.264 1.00 0.00 H new ATOM 621 N LEU A 50 -3.534 0.345 -7.227 1.00 0.00 N ATOM 622 CA LEU A 50 -3.007 -0.062 -5.925 1.00 0.00 C ATOM 623 C LEU A 50 -3.818 0.575 -4.779 1.00 0.00 C ATOM 624 O LEU A 50 -4.106 -0.087 -3.787 1.00 0.00 O ATOM 625 CB LEU A 50 -1.497 0.240 -5.903 1.00 0.00 C ATOM 626 CG LEU A 50 -0.747 -0.528 -4.794 1.00 0.00 C ATOM 627 CD1 LEU A 50 0.663 -0.894 -5.279 1.00 0.00 C ATOM 628 CD2 LEU A 50 -0.668 0.287 -3.495 1.00 0.00 C ATOM 0 H LEU A 50 -2.922 0.962 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.121 -1.134 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.066 -0.017 -6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.348 1.310 -5.761 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.305 -1.439 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.189 -1.436 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.591 -1.522 -6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.212 0.016 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.133 -0.286 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.139 1.221 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.675 0.505 -3.141 1.00 0.00 H new ATOM 640 N SER A 51 -4.284 1.813 -4.938 1.00 0.00 N ATOM 641 CA SER A 51 -5.278 2.421 -4.038 1.00 0.00 C ATOM 642 C SER A 51 -6.561 1.589 -3.926 1.00 0.00 C ATOM 643 O SER A 51 -6.979 1.292 -2.802 1.00 0.00 O ATOM 644 CB SER A 51 -5.644 3.838 -4.488 1.00 0.00 C ATOM 645 OG SER A 51 -4.520 4.688 -4.380 1.00 0.00 O ATOM 0 H SER A 51 -3.986 2.429 -5.695 1.00 0.00 H new ATOM 0 HA SER A 51 -4.805 2.457 -3.056 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.998 3.820 -5.519 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.460 4.222 -3.877 1.00 0.00 H new ATOM 0 HG SER A 51 -4.010 4.664 -5.217 1.00 0.00 H new ATOM 651 N LEU A 52 -7.167 1.150 -5.046 1.00 0.00 N ATOM 652 CA LEU A 52 -8.325 0.247 -4.964 1.00 0.00 C ATOM 653 C LEU A 52 -7.962 -1.052 -4.232 1.00 0.00 C ATOM 654 O LEU A 52 -8.761 -1.540 -3.437 1.00 0.00 O ATOM 655 CB LEU A 52 -8.892 -0.067 -6.361 1.00 0.00 C ATOM 656 CG LEU A 52 -10.336 -0.625 -6.257 1.00 0.00 C ATOM 657 CD1 LEU A 52 -11.369 0.502 -6.395 1.00 0.00 C ATOM 658 CD2 LEU A 52 -10.625 -1.740 -7.273 1.00 0.00 C ATOM 0 H LEU A 52 -6.882 1.399 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.097 0.761 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.889 0.836 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.252 -0.793 -6.863 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.420 -1.071 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.374 0.086 -6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.218 1.233 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.250 0.988 -7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.650 -2.088 -7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.492 -1.355 -8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.938 -2.570 -7.108 1.00 0.00 H new ATOM 670 N LEU A 53 -6.761 -1.594 -4.467 1.00 0.00 N ATOM 671 CA LEU A 53 -6.301 -2.845 -3.855 1.00 0.00 C ATOM 672 C LEU A 53 -6.251 -2.753 -2.325 1.00 0.00 C ATOM 673 O LEU A 53 -6.814 -3.603 -1.636 1.00 0.00 O ATOM 674 CB LEU A 53 -4.923 -3.199 -4.440 1.00 0.00 C ATOM 675 CG LEU A 53 -4.502 -4.663 -4.230 1.00 0.00 C ATOM 676 CD1 LEU A 53 -5.416 -5.606 -5.028 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.031 -4.789 -4.624 1.00 0.00 C ATOM 0 H LEU A 53 -6.075 -1.172 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.014 -3.637 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.929 -2.985 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.173 -2.549 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.610 -4.956 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.103 -6.638 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.446 -5.483 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.348 -5.367 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.704 -5.819 -4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.909 -4.508 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.429 -4.130 -3.998 1.00 0.00 H new ATOM 689 N ILE A 54 -5.610 -1.715 -1.782 1.00 0.00 N ATOM 690 CA ILE A 54 -5.526 -1.518 -0.323 1.00 0.00 C ATOM 691 C ILE A 54 -6.895 -1.126 0.267 1.00 0.00 C ATOM 692 O ILE A 54 -7.230 -1.556 1.370 1.00 0.00 O ATOM 693 CB ILE A 54 -4.420 -0.492 0.026 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.033 -0.817 -0.582 1.00 0.00 C ATOM 695 CG2 ILE A 54 -4.271 -0.358 1.552 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.465 -2.202 -0.254 1.00 0.00 C ATOM 0 H ILE A 54 -5.139 -0.994 -2.328 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.247 -2.465 0.138 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.752 0.446 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.102 -0.721 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.323 -0.064 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.489 0.367 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.214 -0.021 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.003 -1.325 1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.492 -2.319 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.354 -2.303 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.145 -2.971 -0.622 1.00 0.00 H new ATOM 708 N SER A 55 -7.713 -0.368 -0.467 1.00 0.00 N ATOM 709 CA SER A 55 -9.068 0.000 -0.030 1.00 0.00 C ATOM 710 C SER A 55 -10.013 -1.217 0.085 1.00 0.00 C ATOM 711 O SER A 55 -10.746 -1.337 1.072 1.00 0.00 O ATOM 712 CB SER A 55 -9.653 1.042 -1.000 1.00 0.00 C ATOM 713 OG SER A 55 -10.846 1.637 -0.497 1.00 0.00 O ATOM 0 H SER A 55 -7.458 0.009 -1.380 1.00 0.00 H new ATOM 0 HA SER A 55 -8.986 0.424 0.971 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.912 1.819 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.863 0.566 -1.958 1.00 0.00 H new ATOM 0 HG SER A 55 -11.182 2.293 -1.143 1.00 0.00 H new ATOM 719 N LYS A 56 -10.010 -2.130 -0.900 1.00 0.00 N ATOM 720 CA LYS A 56 -10.929 -3.280 -0.943 1.00 0.00 C ATOM 721 C LYS A 56 -10.434 -4.503 -0.144 1.00 0.00 C ATOM 722 O LYS A 56 -11.258 -5.167 0.487 1.00 0.00 O ATOM 723 CB LYS A 56 -11.264 -3.612 -2.415 1.00 0.00 C ATOM 724 CG LYS A 56 -10.222 -4.466 -3.162 1.00 0.00 C ATOM 725 CD LYS A 56 -10.485 -4.439 -4.675 1.00 0.00 C ATOM 726 CE LYS A 56 -9.558 -5.376 -5.473 1.00 0.00 C ATOM 727 NZ LYS A 56 -9.961 -6.807 -5.342 1.00 0.00 N ATOM 0 H LYS A 56 -9.368 -2.091 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.848 -2.994 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.221 -4.134 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.396 -2.676 -2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.220 -4.090 -2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.258 -5.493 -2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.522 -4.720 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.361 -3.419 -5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.572 -5.090 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.533 -5.255 -5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.311 -7.403 -5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.923 -7.088 -4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.930 -6.929 -5.699 1.00 0.00 H new ATOM 741 N LYS A 57 -9.117 -4.770 -0.198 1.00 0.00 N ATOM 742 CA LYS A 57 -8.273 -5.827 0.418 1.00 0.00 C ATOM 743 C LYS A 57 -7.320 -6.486 -0.604 1.00 0.00 C ATOM 744 O LYS A 57 -7.592 -6.501 -1.807 1.00 0.00 O ATOM 745 CB LYS A 57 -9.027 -6.878 1.259 1.00 0.00 C ATOM 746 CG LYS A 57 -9.809 -7.932 0.444 1.00 0.00 C ATOM 747 CD LYS A 57 -10.596 -8.916 1.329 1.00 0.00 C ATOM 748 CE LYS A 57 -11.598 -8.275 2.307 1.00 0.00 C ATOM 749 NZ LYS A 57 -12.646 -7.466 1.622 1.00 0.00 N ATOM 0 H LYS A 57 -8.525 -4.158 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.670 -5.283 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.309 -7.394 1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.724 -6.361 1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.501 -7.424 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.112 -8.491 -0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.138 -9.606 0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.885 -9.510 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.078 -9.059 2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.057 -7.639 3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.357 -7.159 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.208 -6.631 1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.105 -8.043 0.888 1.00 0.00 H new ATOM 763 N GLY A 58 -6.226 -7.073 -0.094 1.00 0.00 N ATOM 764 CA GLY A 58 -5.076 -7.562 -0.867 1.00 0.00 C ATOM 765 C GLY A 58 -5.436 -8.505 -2.019 1.00 0.00 C ATOM 766 O GLY A 58 -5.191 -8.153 -3.170 1.00 0.00 O ATOM 0 H GLY A 58 -6.115 -7.226 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.536 -6.706 -1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.394 -8.079 -0.191 1.00 0.00 H new ATOM 770 N TYR A 59 -6.020 -9.675 -1.727 1.00 0.00 N ATOM 771 CA TYR A 59 -6.543 -10.627 -2.712 1.00 0.00 C ATOM 772 C TYR A 59 -5.420 -11.093 -3.664 1.00 0.00 C ATOM 773 O TYR A 59 -4.242 -11.069 -3.307 1.00 0.00 O ATOM 774 CB TYR A 59 -7.791 -9.979 -3.357 1.00 0.00 C ATOM 775 CG TYR A 59 -8.639 -10.868 -4.248 1.00 0.00 C ATOM 776 CD1 TYR A 59 -9.299 -11.988 -3.705 1.00 0.00 C ATOM 777 CD2 TYR A 59 -8.735 -10.603 -5.629 1.00 0.00 C ATOM 778 CE1 TYR A 59 -10.047 -12.843 -4.538 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.478 -11.456 -6.467 1.00 0.00 C ATOM 780 CZ TYR A 59 -10.139 -12.581 -5.923 1.00 0.00 C ATOM 781 OH TYR A 59 -10.860 -13.415 -6.725 1.00 0.00 O ATOM 0 H TYR A 59 -6.145 -9.994 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.882 -11.564 -2.270 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.425 -9.594 -2.558 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.463 -9.122 -3.945 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.231 -12.192 -2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.236 -9.741 -6.047 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.551 -13.700 -4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.543 -11.251 -7.525 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.823 -13.093 -7.650 1.00 0.00 H new ATOM 791 N VAL A 60 -5.766 -11.530 -4.870 1.00 0.00 N ATOM 792 CA VAL A 60 -4.819 -11.668 -5.986 1.00 0.00 C ATOM 793 C VAL A 60 -5.087 -10.557 -7.010 1.00 0.00 C ATOM 794 O VAL A 60 -6.134 -10.518 -7.653 1.00 0.00 O ATOM 795 CB VAL A 60 -4.871 -13.077 -6.602 1.00 0.00 C ATOM 796 CG1 VAL A 60 -3.807 -13.227 -7.699 1.00 0.00 C ATOM 797 CG2 VAL A 60 -4.625 -14.169 -5.547 1.00 0.00 C ATOM 0 H VAL A 60 -6.719 -11.803 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.800 -11.551 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.870 -13.199 -7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.860 -14.230 -8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.987 -12.492 -8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.818 -13.065 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.670 -15.150 -6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.642 -14.027 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.389 -14.105 -4.772 1.00 0.00 H new ATOM 807 N PHE A 61 -4.123 -9.644 -7.131 1.00 0.00 N ATOM 808 CA PHE A 61 -4.111 -8.470 -8.004 1.00 0.00 C ATOM 809 C PHE A 61 -3.861 -8.933 -9.450 1.00 0.00 C ATOM 810 O PHE A 61 -2.746 -9.318 -9.795 1.00 0.00 O ATOM 811 CB PHE A 61 -3.005 -7.550 -7.447 1.00 0.00 C ATOM 812 CG PHE A 61 -2.943 -6.082 -7.833 1.00 0.00 C ATOM 813 CD1 PHE A 61 -4.094 -5.328 -8.139 1.00 0.00 C ATOM 814 CD2 PHE A 61 -1.710 -5.417 -7.689 1.00 0.00 C ATOM 815 CE1 PHE A 61 -4.005 -3.932 -8.288 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.605 -4.032 -7.899 1.00 0.00 C ATOM 817 CZ PHE A 61 -2.758 -3.285 -8.183 1.00 0.00 C ATOM 0 H PHE A 61 -3.267 -9.711 -6.581 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.053 -7.922 -8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.072 -7.592 -6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.049 -7.994 -7.725 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.046 -5.823 -8.259 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.831 -5.981 -7.413 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.896 -3.354 -8.484 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.643 -3.545 -7.842 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.690 -2.216 -8.321 1.00 0.00 H new ATOM 827 N SER A 62 -4.918 -8.991 -10.263 1.00 0.00 N ATOM 828 CA SER A 62 -4.956 -9.753 -11.529 1.00 0.00 C ATOM 829 C SER A 62 -5.149 -8.859 -12.755 1.00 0.00 C ATOM 830 O SER A 62 -5.925 -7.909 -12.683 1.00 0.00 O ATOM 831 CB SER A 62 -6.167 -10.694 -11.510 1.00 0.00 C ATOM 832 OG SER A 62 -6.093 -11.647 -10.456 1.00 0.00 O ATOM 0 H SER A 62 -5.791 -8.503 -10.063 1.00 0.00 H new ATOM 0 HA SER A 62 -4.002 -10.275 -11.601 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.079 -10.107 -11.403 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.234 -11.216 -12.465 1.00 0.00 H new ATOM 0 HG SER A 62 -6.111 -11.183 -9.593 1.00 0.00 H new ATOM 838 N ARG A 63 -4.561 -9.200 -13.910 1.00 0.00 N ATOM 839 CA ARG A 63 -4.622 -8.377 -15.138 1.00 0.00 C ATOM 840 C ARG A 63 -6.049 -7.966 -15.582 1.00 0.00 C ATOM 841 O ARG A 63 -6.254 -6.830 -16.000 1.00 0.00 O ATOM 842 CB ARG A 63 -3.798 -9.045 -16.255 1.00 0.00 C ATOM 843 CG ARG A 63 -4.400 -10.335 -16.838 1.00 0.00 C ATOM 844 CD ARG A 63 -3.453 -10.959 -17.871 1.00 0.00 C ATOM 845 NE ARG A 63 -4.005 -12.218 -18.403 1.00 0.00 N ATOM 846 CZ ARG A 63 -3.369 -13.113 -19.153 1.00 0.00 C ATOM 847 NH1 ARG A 63 -2.109 -12.965 -19.512 1.00 0.00 N ATOM 848 NH2 ARG A 63 -4.005 -14.190 -19.559 1.00 0.00 N ATOM 0 H ARG A 63 -4.024 -10.060 -14.025 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.166 -7.417 -14.897 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.666 -8.327 -17.065 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.806 -9.271 -15.865 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.591 -11.048 -16.036 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.360 -10.115 -17.304 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.287 -10.257 -18.688 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.483 -11.149 -17.412 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.977 -12.424 -18.172 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.587 -12.141 -19.213 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.656 -13.674 -20.088 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.980 -14.335 -19.298 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.523 -14.880 -20.135 1.00 0.00 H new ATOM 862 N GLU A 64 -7.055 -8.831 -15.408 1.00 0.00 N ATOM 863 CA GLU A 64 -8.463 -8.494 -15.686 1.00 0.00 C ATOM 864 C GLU A 64 -9.004 -7.444 -14.697 1.00 0.00 C ATOM 865 O GLU A 64 -9.494 -6.395 -15.098 1.00 0.00 O ATOM 866 CB GLU A 64 -9.311 -9.775 -15.629 1.00 0.00 C ATOM 867 CG GLU A 64 -10.701 -9.582 -16.245 1.00 0.00 C ATOM 868 CD GLU A 64 -11.498 -10.893 -16.215 1.00 0.00 C ATOM 869 OE1 GLU A 64 -12.189 -11.167 -15.205 1.00 0.00 O ATOM 870 OE2 GLU A 64 -11.442 -11.665 -17.202 1.00 0.00 O ATOM 0 H GLU A 64 -6.920 -9.784 -15.071 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.523 -8.057 -16.683 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.791 -10.576 -16.155 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.417 -10.092 -14.591 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.242 -8.810 -15.698 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.603 -9.234 -17.273 1.00 0.00 H new ATOM 877 N SER A 65 -8.881 -7.698 -13.392 1.00 0.00 N ATOM 878 CA SER A 65 -9.318 -6.761 -12.335 1.00 0.00 C ATOM 879 C SER A 65 -8.582 -5.406 -12.430 1.00 0.00 C ATOM 880 O SER A 65 -9.188 -4.333 -12.345 1.00 0.00 O ATOM 881 CB SER A 65 -9.101 -7.414 -10.963 1.00 0.00 C ATOM 882 OG SER A 65 -9.677 -6.634 -9.925 1.00 0.00 O ATOM 0 H SER A 65 -8.475 -8.561 -13.030 1.00 0.00 H new ATOM 0 HA SER A 65 -10.379 -6.550 -12.471 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.541 -8.411 -10.959 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.033 -7.536 -10.780 1.00 0.00 H new ATOM 0 HG SER A 65 -9.525 -7.074 -9.063 1.00 0.00 H new ATOM 888 N ILE A 66 -7.276 -5.453 -12.715 1.00 0.00 N ATOM 889 CA ILE A 66 -6.438 -4.294 -13.082 1.00 0.00 C ATOM 890 C ILE A 66 -7.069 -3.469 -14.209 1.00 0.00 C ATOM 891 O ILE A 66 -7.353 -2.289 -14.018 1.00 0.00 O ATOM 892 CB ILE A 66 -5.031 -4.797 -13.473 1.00 0.00 C ATOM 893 CG1 ILE A 66 -4.308 -5.369 -12.239 1.00 0.00 C ATOM 894 CG2 ILE A 66 -4.200 -3.758 -14.243 1.00 0.00 C ATOM 895 CD1 ILE A 66 -3.414 -4.397 -11.478 1.00 0.00 C ATOM 0 H ILE A 66 -6.750 -6.327 -12.697 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.359 -3.629 -12.222 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.159 -5.610 -14.187 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.059 -5.757 -11.550 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.701 -6.216 -12.559 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.224 -4.179 -14.485 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.717 -3.488 -15.164 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.068 -2.868 -13.627 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.958 -4.909 -10.631 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.633 -4.026 -12.141 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.011 -3.560 -11.117 1.00 0.00 H new ATOM 907 N ALA A 67 -7.322 -4.085 -15.364 1.00 0.00 N ATOM 908 CA ALA A 67 -7.935 -3.460 -16.533 1.00 0.00 C ATOM 909 C ALA A 67 -9.377 -2.995 -16.275 1.00 0.00 C ATOM 910 O ALA A 67 -9.849 -2.075 -16.939 1.00 0.00 O ATOM 911 CB ALA A 67 -7.901 -4.465 -17.687 1.00 0.00 C ATOM 0 H ALA A 67 -7.097 -5.068 -15.515 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.366 -2.563 -16.779 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.355 -4.018 -18.572 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.867 -4.733 -17.905 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.457 -5.360 -17.407 1.00 0.00 H new ATOM 917 N ILE A 68 -10.068 -3.605 -15.309 1.00 0.00 N ATOM 918 CA ILE A 68 -11.395 -3.167 -14.853 1.00 0.00 C ATOM 919 C ILE A 68 -11.283 -1.879 -14.022 1.00 0.00 C ATOM 920 O ILE A 68 -12.164 -1.022 -14.153 1.00 0.00 O ATOM 921 CB ILE A 68 -12.128 -4.327 -14.129 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.643 -5.342 -15.179 1.00 0.00 C ATOM 923 CG2 ILE A 68 -13.295 -3.840 -13.246 1.00 0.00 C ATOM 924 CD1 ILE A 68 -13.096 -6.682 -14.588 1.00 0.00 C ATOM 0 H ILE A 68 -9.720 -4.426 -14.814 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.015 -2.911 -15.712 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.409 -4.803 -13.462 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.477 -4.896 -15.720 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.853 -5.527 -15.907 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.769 -4.696 -12.765 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.915 -3.160 -12.483 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.026 -3.320 -13.864 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.442 -7.335 -15.389 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.260 -7.153 -14.071 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.909 -6.512 -13.882 1.00 0.00 H new ATOM 936 N GLU A 69 -10.222 -1.696 -13.220 1.00 0.00 N ATOM 937 CA GLU A 69 -10.028 -0.436 -12.491 1.00 0.00 C ATOM 938 C GLU A 69 -9.236 0.618 -13.301 1.00 0.00 C ATOM 939 O GLU A 69 -9.803 1.669 -13.616 1.00 0.00 O ATOM 940 CB GLU A 69 -9.419 -0.678 -11.105 1.00 0.00 C ATOM 941 CG GLU A 69 -9.769 0.409 -10.080 1.00 0.00 C ATOM 942 CD GLU A 69 -9.387 1.844 -10.474 1.00 0.00 C ATOM 943 OE1 GLU A 69 -8.192 2.104 -10.738 1.00 0.00 O ATOM 944 OE2 GLU A 69 -10.285 2.723 -10.467 1.00 0.00 O ATOM 0 H GLU A 69 -9.496 -2.395 -13.062 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.020 -0.009 -12.343 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.762 -1.642 -10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.335 -0.740 -11.200 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.843 0.376 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.276 0.167 -9.138 1.00 0.00 H new ATOM 951 N SER A 70 -7.953 0.401 -13.631 1.00 0.00 N ATOM 952 CA SER A 70 -7.088 1.535 -14.045 1.00 0.00 C ATOM 953 C SER A 70 -7.287 1.900 -15.526 1.00 0.00 C ATOM 954 O SER A 70 -7.402 3.082 -15.857 1.00 0.00 O ATOM 955 CB SER A 70 -5.591 1.322 -13.735 1.00 0.00 C ATOM 956 OG SER A 70 -5.102 0.135 -14.347 1.00 0.00 O ATOM 0 H SER A 70 -7.497 -0.511 -13.623 1.00 0.00 H new ATOM 0 HA SER A 70 -7.415 2.376 -13.433 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.018 2.179 -14.089 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.445 1.265 -12.656 1.00 0.00 H new ATOM 0 HG SER A 70 -4.151 0.026 -14.136 1.00 0.00 H new ATOM 962 N GLU A 71 -7.374 0.887 -16.403 1.00 0.00 N ATOM 963 CA GLU A 71 -8.117 0.909 -17.677 1.00 0.00 C ATOM 964 C GLU A 71 -7.548 1.850 -18.770 1.00 0.00 C ATOM 965 O GLU A 71 -8.104 1.968 -19.861 1.00 0.00 O ATOM 966 CB GLU A 71 -9.609 1.171 -17.371 1.00 0.00 C ATOM 967 CG GLU A 71 -10.556 0.737 -18.500 1.00 0.00 C ATOM 968 CD GLU A 71 -12.029 0.758 -18.056 1.00 0.00 C ATOM 969 OE1 GLU A 71 -12.520 1.825 -17.613 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.732 -0.271 -18.204 1.00 0.00 O ATOM 0 H GLU A 71 -6.910 -0.007 -16.239 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.995 -0.072 -18.137 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.882 0.643 -16.457 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.750 2.235 -17.179 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.426 1.398 -19.357 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.291 -0.268 -18.830 1.00 0.00 H new ATOM 977 N SER A 72 -6.402 2.495 -18.544 1.00 0.00 N ATOM 978 CA SER A 72 -5.783 3.474 -19.466 1.00 0.00 C ATOM 979 C SER A 72 -5.063 2.809 -20.669 1.00 0.00 C ATOM 980 O SER A 72 -4.127 3.368 -21.248 1.00 0.00 O ATOM 981 CB SER A 72 -4.844 4.398 -18.666 1.00 0.00 C ATOM 982 OG SER A 72 -5.554 5.155 -17.684 1.00 0.00 O ATOM 0 H SER A 72 -5.857 2.353 -17.694 1.00 0.00 H new ATOM 0 HA SER A 72 -6.579 4.070 -19.912 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.075 3.800 -18.177 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.334 5.077 -19.349 1.00 0.00 H new ATOM 0 HG SER A 72 -4.926 5.728 -17.196 1.00 0.00 H new ATOM 988 N ILE A 73 -5.477 1.587 -21.026 1.00 0.00 N ATOM 989 CA ILE A 73 -4.850 0.654 -21.980 1.00 0.00 C ATOM 990 C ILE A 73 -5.954 -0.046 -22.795 1.00 0.00 C ATOM 991 O ILE A 73 -6.978 -0.453 -22.242 1.00 0.00 O ATOM 992 CB ILE A 73 -3.980 -0.364 -21.193 1.00 0.00 C ATOM 993 CG1 ILE A 73 -2.785 0.302 -20.464 1.00 0.00 C ATOM 994 CG2 ILE A 73 -3.489 -1.527 -22.074 1.00 0.00 C ATOM 995 CD1 ILE A 73 -1.677 0.867 -21.362 1.00 0.00 C ATOM 0 H ILE A 73 -6.327 1.190 -20.625 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.201 1.186 -22.676 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.642 -0.776 -20.432 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.170 1.111 -19.843 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.341 -0.432 -19.792 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.886 -2.208 -21.474 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.347 -2.063 -22.480 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.886 -1.134 -22.893 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.896 1.307 -20.742 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.253 0.064 -21.965 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.094 1.632 -22.017 1.00 0.00 H new ATOM 1007 N ASN A 74 -5.758 -0.180 -24.112 1.00 0.00 N ATOM 1008 CA ASN A 74 -6.802 -0.623 -25.051 1.00 0.00 C ATOM 1009 C ASN A 74 -7.266 -2.096 -24.881 1.00 0.00 C ATOM 1010 O ASN A 74 -8.480 -2.301 -24.758 1.00 0.00 O ATOM 1011 CB ASN A 74 -6.367 -0.311 -26.495 1.00 0.00 C ATOM 1012 CG ASN A 74 -6.258 1.191 -26.753 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -5.186 1.778 -26.662 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -7.358 1.858 -27.060 1.00 0.00 N ATOM 0 H ASN A 74 -4.864 0.017 -24.562 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.696 -0.049 -24.805 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.404 -0.783 -26.693 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.084 -0.746 -27.191 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.316 2.864 -27.222 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.248 1.366 -27.135 1.00 0.00 H new ATOM 1021 N PRO A 75 -6.380 -3.123 -24.881 1.00 0.00 N ATOM 1022 CA PRO A 75 -6.792 -4.524 -24.735 1.00 0.00 C ATOM 1023 C PRO A 75 -7.259 -4.842 -23.307 1.00 0.00 C ATOM 1024 O PRO A 75 -6.639 -4.421 -22.331 1.00 0.00 O ATOM 1025 CB PRO A 75 -5.575 -5.365 -25.136 1.00 0.00 C ATOM 1026 CG PRO A 75 -4.393 -4.445 -24.838 1.00 0.00 C ATOM 1027 CD PRO A 75 -4.955 -3.070 -25.193 1.00 0.00 C ATOM 0 HA PRO A 75 -7.651 -4.746 -25.369 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.519 -6.290 -24.561 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.610 -5.646 -26.189 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.086 -4.502 -23.794 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.520 -4.696 -25.441 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.459 -2.286 -24.620 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.795 -2.844 -26.247 1.00 0.00 H new ATOM 1035 N GLU A 76 -8.338 -5.628 -23.195 1.00 0.00 N ATOM 1036 CA GLU A 76 -8.981 -5.986 -21.919 1.00 0.00 C ATOM 1037 C GLU A 76 -8.165 -7.004 -21.096 1.00 0.00 C ATOM 1038 O GLU A 76 -8.268 -7.035 -19.870 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.395 -6.513 -22.225 1.00 0.00 C ATOM 1040 CG GLU A 76 -11.278 -6.681 -20.982 1.00 0.00 C ATOM 1041 CD GLU A 76 -12.709 -7.068 -21.381 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -12.991 -8.280 -21.548 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -13.568 -6.167 -21.532 1.00 0.00 O ATOM 0 H GLU A 76 -8.800 -6.043 -24.005 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.036 -5.094 -21.295 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.885 -5.828 -22.917 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.312 -7.474 -22.732 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.857 -7.447 -20.331 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.293 -5.752 -20.412 1.00 0.00 H new ATOM 1050 N SER A 77 -7.313 -7.811 -21.740 1.00 0.00 N ATOM 1051 CA SER A 77 -6.352 -8.669 -21.020 1.00 0.00 C ATOM 1052 C SER A 77 -5.194 -7.856 -20.417 1.00 0.00 C ATOM 1053 O SER A 77 -4.684 -8.210 -19.360 1.00 0.00 O ATOM 1054 CB SER A 77 -5.789 -9.759 -21.949 1.00 0.00 C ATOM 1055 OG SER A 77 -6.794 -10.687 -22.350 1.00 0.00 O ATOM 0 H SER A 77 -7.266 -7.891 -22.756 1.00 0.00 H new ATOM 0 HA SER A 77 -6.899 -9.139 -20.202 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.352 -9.293 -22.832 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.986 -10.291 -21.439 1.00 0.00 H new ATOM 0 HG SER A 77 -6.399 -11.362 -22.940 1.00 0.00 H new ATOM 1061 N SER A 78 -4.788 -6.750 -21.057 1.00 0.00 N ATOM 1062 CA SER A 78 -3.824 -5.751 -20.548 1.00 0.00 C ATOM 1063 C SER A 78 -2.418 -6.304 -20.225 1.00 0.00 C ATOM 1064 O SER A 78 -1.680 -5.715 -19.436 1.00 0.00 O ATOM 1065 CB SER A 78 -4.434 -4.979 -19.362 1.00 0.00 C ATOM 1066 OG SER A 78 -4.423 -5.734 -18.164 1.00 0.00 O ATOM 0 H SER A 78 -5.136 -6.512 -21.986 1.00 0.00 H new ATOM 0 HA SER A 78 -3.645 -5.060 -21.372 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.879 -4.053 -19.210 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.460 -4.699 -19.603 1.00 0.00 H new ATOM 0 HG SER A 78 -4.430 -6.690 -18.380 1.00 0.00 H new ATOM 1072 N ASN A 79 -2.004 -7.428 -20.817 1.00 0.00 N ATOM 1073 CA ASN A 79 -0.778 -8.136 -20.417 1.00 0.00 C ATOM 1074 C ASN A 79 0.510 -7.283 -20.511 1.00 0.00 C ATOM 1075 O ASN A 79 1.417 -7.452 -19.700 1.00 0.00 O ATOM 1076 CB ASN A 79 -0.668 -9.449 -21.213 1.00 0.00 C ATOM 1077 CG ASN A 79 -0.377 -9.235 -22.698 1.00 0.00 C ATOM 1078 OD1 ASN A 79 -1.252 -8.869 -23.474 1.00 0.00 O ATOM 1079 ND2 ASN A 79 0.855 -9.435 -23.132 1.00 0.00 N ATOM 0 H ASN A 79 -2.505 -7.874 -21.585 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.866 -8.360 -19.354 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.122 -10.063 -20.780 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.598 -10.007 -21.109 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.080 -9.285 -24.115 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.581 -9.740 -22.484 1.00 0.00 H new ATOM 1086 N LYS A 80 0.584 -6.313 -21.434 1.00 0.00 N ATOM 1087 CA LYS A 80 1.690 -5.337 -21.495 1.00 0.00 C ATOM 1088 C LYS A 80 1.553 -4.207 -20.458 1.00 0.00 C ATOM 1089 O LYS A 80 2.566 -3.685 -19.994 1.00 0.00 O ATOM 1090 CB LYS A 80 1.828 -4.797 -22.930 1.00 0.00 C ATOM 1091 CG LYS A 80 2.155 -5.922 -23.931 1.00 0.00 C ATOM 1092 CD LYS A 80 2.489 -5.413 -25.341 1.00 0.00 C ATOM 1093 CE LYS A 80 3.849 -4.695 -25.386 1.00 0.00 C ATOM 1094 NZ LYS A 80 4.227 -4.318 -26.775 1.00 0.00 N ATOM 0 H LYS A 80 -0.119 -6.180 -22.161 1.00 0.00 H new ATOM 0 HA LYS A 80 2.610 -5.857 -21.228 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.901 -4.305 -23.225 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.613 -4.042 -22.961 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.999 -6.499 -23.553 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.305 -6.602 -23.991 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.499 -6.252 -26.037 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.707 -4.731 -25.675 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.809 -3.801 -24.764 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.617 -5.343 -24.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.149 -3.837 -26.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.290 -5.174 -27.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.507 -3.680 -27.170 1.00 0.00 H new ATOM 1108 N SER A 81 0.333 -3.896 -20.007 1.00 0.00 N ATOM 1109 CA SER A 81 0.128 -3.104 -18.787 1.00 0.00 C ATOM 1110 C SER A 81 0.746 -3.843 -17.601 1.00 0.00 C ATOM 1111 O SER A 81 1.720 -3.351 -17.045 1.00 0.00 O ATOM 1112 CB SER A 81 -1.357 -2.796 -18.526 1.00 0.00 C ATOM 1113 OG SER A 81 -1.468 -1.756 -17.566 1.00 0.00 O ATOM 0 H SER A 81 -0.530 -4.181 -20.469 1.00 0.00 H new ATOM 0 HA SER A 81 0.621 -2.141 -18.922 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.846 -2.501 -19.454 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.867 -3.691 -18.168 1.00 0.00 H new ATOM 0 HG SER A 81 -2.414 -1.561 -17.403 1.00 0.00 H new ATOM 1119 N ILE A 82 0.282 -5.052 -17.245 1.00 0.00 N ATOM 1120 CA ILE A 82 0.772 -5.721 -16.016 1.00 0.00 C ATOM 1121 C ILE A 82 2.282 -5.966 -16.026 1.00 0.00 C ATOM 1122 O ILE A 82 2.938 -5.803 -15.003 1.00 0.00 O ATOM 1123 CB ILE A 82 -0.042 -6.989 -15.686 1.00 0.00 C ATOM 1124 CG1 ILE A 82 -0.077 -7.158 -14.147 1.00 0.00 C ATOM 1125 CG2 ILE A 82 0.454 -8.270 -16.381 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -1.038 -8.228 -13.625 1.00 0.00 C ATOM 0 H ILE A 82 -0.414 -5.580 -17.771 1.00 0.00 H new ATOM 0 HA ILE A 82 0.602 -5.022 -15.197 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.046 -6.844 -16.085 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.929 -7.398 -13.802 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.348 -6.202 -13.700 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.178 -9.110 -16.090 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.408 -8.139 -17.462 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.483 -8.470 -16.083 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.985 -8.265 -12.537 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.055 -7.984 -13.931 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.759 -9.199 -14.035 1.00 0.00 H new ATOM 1138 N ASP A 83 2.827 -6.261 -17.202 1.00 0.00 N ATOM 1139 CA ASP A 83 4.276 -6.330 -17.449 1.00 0.00 C ATOM 1140 C ASP A 83 5.010 -5.011 -17.110 1.00 0.00 C ATOM 1141 O ASP A 83 5.972 -5.045 -16.337 1.00 0.00 O ATOM 1142 CB ASP A 83 4.540 -6.746 -18.900 1.00 0.00 C ATOM 1143 CG ASP A 83 6.043 -6.897 -19.184 1.00 0.00 C ATOM 1144 OD1 ASP A 83 6.643 -7.901 -18.731 1.00 0.00 O ATOM 1145 OD2 ASP A 83 6.616 -6.022 -19.875 1.00 0.00 O ATOM 0 H ASP A 83 2.269 -6.464 -18.031 1.00 0.00 H new ATOM 0 HA ASP A 83 4.682 -7.085 -16.776 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.034 -7.689 -19.106 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.115 -6.003 -19.575 1.00 0.00 H new ATOM 1150 N VAL A 84 4.546 -3.858 -17.626 1.00 0.00 N ATOM 1151 CA VAL A 84 5.082 -2.532 -17.222 1.00 0.00 C ATOM 1152 C VAL A 84 4.886 -2.304 -15.728 1.00 0.00 C ATOM 1153 O VAL A 84 5.800 -1.825 -15.066 1.00 0.00 O ATOM 1154 CB VAL A 84 4.441 -1.333 -17.970 1.00 0.00 C ATOM 1155 CG1 VAL A 84 4.769 0.052 -17.374 1.00 0.00 C ATOM 1156 CG2 VAL A 84 4.936 -1.330 -19.427 1.00 0.00 C ATOM 0 H VAL A 84 3.803 -3.811 -18.323 1.00 0.00 H new ATOM 0 HA VAL A 84 6.139 -2.567 -17.487 1.00 0.00 H new ATOM 0 HB VAL A 84 3.364 -1.477 -17.881 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.278 0.827 -17.963 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.414 0.098 -16.344 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.847 0.210 -17.393 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.491 -0.491 -19.961 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.022 -1.235 -19.442 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.647 -2.263 -19.911 1.00 0.00 H new ATOM 1166 N ILE A 85 3.701 -2.622 -15.203 1.00 0.00 N ATOM 1167 CA ILE A 85 3.321 -2.293 -13.830 1.00 0.00 C ATOM 1168 C ILE A 85 4.231 -3.062 -12.879 1.00 0.00 C ATOM 1169 O ILE A 85 4.974 -2.443 -12.132 1.00 0.00 O ATOM 1170 CB ILE A 85 1.811 -2.559 -13.582 1.00 0.00 C ATOM 1171 CG1 ILE A 85 0.809 -1.787 -14.492 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.446 -2.295 -12.107 1.00 0.00 C ATOM 1173 CD1 ILE A 85 1.345 -0.658 -15.392 1.00 0.00 C ATOM 0 H ILE A 85 2.976 -3.117 -15.722 1.00 0.00 H new ATOM 0 HA ILE A 85 3.457 -1.227 -13.646 1.00 0.00 H new ATOM 0 HB ILE A 85 1.695 -3.609 -13.849 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.317 -2.517 -15.135 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.040 -1.360 -13.848 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.384 -2.487 -11.955 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.030 -2.954 -11.464 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.666 -1.257 -11.858 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.522 -0.224 -15.960 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.806 0.112 -14.774 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.087 -1.063 -16.080 1.00 0.00 H new ATOM 1185 N ILE A 86 4.250 -4.390 -12.952 1.00 0.00 N ATOM 1186 CA ILE A 86 5.064 -5.238 -12.069 1.00 0.00 C ATOM 1187 C ILE A 86 6.559 -4.986 -12.280 1.00 0.00 C ATOM 1188 O ILE A 86 7.287 -4.857 -11.294 1.00 0.00 O ATOM 1189 CB ILE A 86 4.670 -6.718 -12.275 1.00 0.00 C ATOM 1190 CG1 ILE A 86 3.207 -6.995 -11.845 1.00 0.00 C ATOM 1191 CG2 ILE A 86 5.637 -7.677 -11.565 1.00 0.00 C ATOM 1192 CD1 ILE A 86 2.885 -6.783 -10.358 1.00 0.00 C ATOM 0 H ILE A 86 3.699 -4.917 -13.629 1.00 0.00 H new ATOM 0 HA ILE A 86 4.864 -4.980 -11.029 1.00 0.00 H new ATOM 0 HB ILE A 86 4.743 -6.908 -13.346 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.550 -6.354 -12.433 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.963 -8.025 -12.105 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.321 -8.706 -11.737 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.644 -7.536 -11.958 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.634 -7.471 -10.495 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.834 -7.007 -10.178 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.506 -7.444 -9.753 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.087 -5.747 -10.086 1.00 0.00 H new ATOM 1204 N GLY A 87 7.021 -4.849 -13.530 1.00 0.00 N ATOM 1205 CA GLY A 87 8.435 -4.610 -13.829 1.00 0.00 C ATOM 1206 C GLY A 87 8.926 -3.277 -13.265 1.00 0.00 C ATOM 1207 O GLY A 87 9.964 -3.232 -12.603 1.00 0.00 O ATOM 0 H GLY A 87 6.427 -4.901 -14.357 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.034 -5.421 -13.415 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.584 -4.623 -14.909 1.00 0.00 H new ATOM 1211 N ARG A 88 8.167 -2.193 -13.466 1.00 0.00 N ATOM 1212 CA ARG A 88 8.567 -0.847 -13.041 1.00 0.00 C ATOM 1213 C ARG A 88 8.235 -0.572 -11.560 1.00 0.00 C ATOM 1214 O ARG A 88 8.976 0.178 -10.930 1.00 0.00 O ATOM 1215 CB ARG A 88 8.013 0.179 -14.050 1.00 0.00 C ATOM 1216 CG ARG A 88 8.599 1.598 -13.936 1.00 0.00 C ATOM 1217 CD ARG A 88 10.053 1.668 -14.428 1.00 0.00 C ATOM 1218 NE ARG A 88 10.561 3.054 -14.438 1.00 0.00 N ATOM 1219 CZ ARG A 88 10.386 3.966 -15.392 1.00 0.00 C ATOM 1220 NH1 ARG A 88 9.663 3.731 -16.469 1.00 0.00 N ATOM 1221 NH2 ARG A 88 10.949 5.149 -15.275 1.00 0.00 N ATOM 0 H ARG A 88 7.258 -2.225 -13.928 1.00 0.00 H new ATOM 0 HA ARG A 88 9.653 -0.752 -13.062 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.197 -0.192 -15.058 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.932 0.239 -13.925 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.988 2.289 -14.516 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.553 1.926 -12.897 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.684 1.054 -13.786 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.118 1.250 -15.432 1.00 0.00 H new ATOM 0 HE ARG A 88 11.105 3.345 -13.626 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.214 2.824 -16.594 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.553 4.456 -17.178 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.517 5.365 -14.456 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.818 5.851 -16.004 1.00 0.00 H new ATOM 1235 N LEU A 89 7.247 -1.245 -10.946 1.00 0.00 N ATOM 1236 CA LEU A 89 7.094 -1.357 -9.484 1.00 0.00 C ATOM 1237 C LEU A 89 8.365 -1.967 -8.885 1.00 0.00 C ATOM 1238 O LEU A 89 8.973 -1.341 -8.019 1.00 0.00 O ATOM 1239 CB LEU A 89 5.827 -2.193 -9.184 1.00 0.00 C ATOM 1240 CG LEU A 89 5.257 -2.106 -7.758 1.00 0.00 C ATOM 1241 CD1 LEU A 89 3.883 -2.795 -7.728 1.00 0.00 C ATOM 1242 CD2 LEU A 89 6.160 -2.752 -6.697 1.00 0.00 C ATOM 0 H LEU A 89 6.517 -1.737 -11.462 1.00 0.00 H new ATOM 0 HA LEU A 89 6.964 -0.378 -9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.046 -1.887 -9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.052 -3.238 -9.396 1.00 0.00 H new ATOM 0 HG LEU A 89 5.183 -1.047 -7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.470 -2.739 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.210 -2.295 -8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.994 -3.840 -8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.696 -2.654 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.297 -3.808 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.129 -2.253 -6.692 1.00 0.00 H new ATOM 1254 N ARG A 90 8.812 -3.125 -9.398 1.00 0.00 N ATOM 1255 CA ARG A 90 10.067 -3.776 -8.986 1.00 0.00 C ATOM 1256 C ARG A 90 11.251 -2.812 -9.087 1.00 0.00 C ATOM 1257 O ARG A 90 11.998 -2.651 -8.130 1.00 0.00 O ATOM 1258 CB ARG A 90 10.312 -5.047 -9.814 1.00 0.00 C ATOM 1259 CG ARG A 90 11.302 -6.001 -9.123 1.00 0.00 C ATOM 1260 CD ARG A 90 11.526 -7.279 -9.942 1.00 0.00 C ATOM 1261 NE ARG A 90 10.297 -8.093 -10.030 1.00 0.00 N ATOM 1262 CZ ARG A 90 9.955 -8.920 -11.014 1.00 0.00 C ATOM 1263 NH1 ARG A 90 10.726 -9.123 -12.062 1.00 0.00 N ATOM 1264 NH2 ARG A 90 8.811 -9.566 -10.950 1.00 0.00 N ATOM 0 H ARG A 90 8.307 -3.641 -10.118 1.00 0.00 H new ATOM 0 HA ARG A 90 9.971 -4.066 -7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.365 -5.562 -9.977 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.698 -4.772 -10.795 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.255 -5.492 -8.975 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.924 -6.264 -8.135 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.860 -7.015 -10.945 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.321 -7.869 -9.486 1.00 0.00 H new ATOM 0 HE ARG A 90 9.640 -8.012 -9.254 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.620 -8.638 -12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.429 -9.765 -12.797 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.193 -9.431 -10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.542 -10.202 -11.701 1.00 0.00 H new ATOM 1278 N SER A 91 11.377 -2.099 -10.204 1.00 0.00 N ATOM 1279 CA SER A 91 12.399 -1.049 -10.352 1.00 0.00 C ATOM 1280 C SER A 91 12.321 0.020 -9.256 1.00 0.00 C ATOM 1281 O SER A 91 13.326 0.307 -8.609 1.00 0.00 O ATOM 1282 CB SER A 91 12.325 -0.376 -11.732 1.00 0.00 C ATOM 1283 OG SER A 91 12.391 -1.313 -12.800 1.00 0.00 O ATOM 0 H SER A 91 10.786 -2.225 -11.025 1.00 0.00 H new ATOM 0 HA SER A 91 13.357 -1.559 -10.253 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.397 0.190 -11.807 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.143 0.338 -11.829 1.00 0.00 H new ATOM 0 HG SER A 91 11.588 -1.874 -12.793 1.00 0.00 H new ATOM 1289 N LYS A 92 11.136 0.573 -8.974 1.00 0.00 N ATOM 1290 CA LYS A 92 10.982 1.583 -7.917 1.00 0.00 C ATOM 1291 C LYS A 92 11.315 1.036 -6.510 1.00 0.00 C ATOM 1292 O LYS A 92 12.016 1.704 -5.747 1.00 0.00 O ATOM 1293 CB LYS A 92 9.566 2.178 -8.036 1.00 0.00 C ATOM 1294 CG LYS A 92 9.388 3.014 -9.322 1.00 0.00 C ATOM 1295 CD LYS A 92 9.918 4.447 -9.177 1.00 0.00 C ATOM 1296 CE LYS A 92 9.670 5.233 -10.473 1.00 0.00 C ATOM 1297 NZ LYS A 92 10.006 6.675 -10.317 1.00 0.00 N ATOM 0 H LYS A 92 10.271 0.340 -9.461 1.00 0.00 H new ATOM 0 HA LYS A 92 11.712 2.381 -8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.833 1.371 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.363 2.804 -7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.906 2.521 -10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.331 3.047 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.425 4.943 -8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.984 4.428 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.268 4.805 -11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.625 5.133 -10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.923 7.152 -11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.350 7.113 -9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.980 6.768 -9.965 1.00 0.00 H new ATOM 1311 N ILE A 93 10.915 -0.201 -6.173 1.00 0.00 N ATOM 1312 CA ILE A 93 11.239 -0.833 -4.866 1.00 0.00 C ATOM 1313 C ILE A 93 12.648 -1.450 -4.783 1.00 0.00 C ATOM 1314 O ILE A 93 13.072 -1.840 -3.697 1.00 0.00 O ATOM 1315 CB ILE A 93 10.135 -1.806 -4.381 1.00 0.00 C ATOM 1316 CG1 ILE A 93 9.919 -3.092 -5.207 1.00 0.00 C ATOM 1317 CG2 ILE A 93 8.802 -1.044 -4.254 1.00 0.00 C ATOM 1318 CD1 ILE A 93 11.074 -4.104 -5.211 1.00 0.00 C ATOM 0 H ILE A 93 10.361 -0.795 -6.789 1.00 0.00 H new ATOM 0 HA ILE A 93 11.261 -0.002 -4.161 1.00 0.00 H new ATOM 0 HB ILE A 93 10.502 -2.169 -3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.027 -3.593 -4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.713 -2.805 -6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.024 -1.727 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.914 -0.233 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.524 -0.633 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.803 -4.963 -5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.968 -3.634 -5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.272 -4.434 -4.191 1.00 0.00 H new ATOM 1330 N GLU A 94 13.376 -1.533 -5.901 1.00 0.00 N ATOM 1331 CA GLU A 94 14.808 -1.851 -5.941 1.00 0.00 C ATOM 1332 C GLU A 94 15.663 -0.580 -5.766 1.00 0.00 C ATOM 1333 O GLU A 94 16.678 -0.604 -5.066 1.00 0.00 O ATOM 1334 CB GLU A 94 15.122 -2.562 -7.268 1.00 0.00 C ATOM 1335 CG GLU A 94 16.573 -3.041 -7.366 1.00 0.00 C ATOM 1336 CD GLU A 94 16.792 -3.847 -8.654 1.00 0.00 C ATOM 1337 OE1 GLU A 94 17.033 -3.236 -9.723 1.00 0.00 O ATOM 1338 OE2 GLU A 94 16.734 -5.099 -8.610 1.00 0.00 O ATOM 0 H GLU A 94 12.976 -1.377 -6.826 1.00 0.00 H new ATOM 0 HA GLU A 94 15.057 -2.515 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.455 -3.417 -7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.913 -1.883 -8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.246 -2.184 -7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.818 -3.656 -6.500 1.00 0.00 H new ATOM 1345 N LYS A 95 15.252 0.544 -6.371 1.00 0.00 N ATOM 1346 CA LYS A 95 15.932 1.843 -6.246 1.00 0.00 C ATOM 1347 C LYS A 95 15.761 2.468 -4.847 1.00 0.00 C ATOM 1348 O LYS A 95 16.741 2.938 -4.261 1.00 0.00 O ATOM 1349 CB LYS A 95 15.429 2.779 -7.360 1.00 0.00 C ATOM 1350 CG LYS A 95 15.984 2.361 -8.733 1.00 0.00 C ATOM 1351 CD LYS A 95 15.401 3.231 -9.857 1.00 0.00 C ATOM 1352 CE LYS A 95 15.900 2.803 -11.248 1.00 0.00 C ATOM 1353 NZ LYS A 95 17.347 3.094 -11.461 1.00 0.00 N ATOM 0 H LYS A 95 14.427 0.577 -6.969 1.00 0.00 H new ATOM 0 HA LYS A 95 17.004 1.687 -6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.339 2.765 -7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 95 15.729 3.804 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.071 2.446 -8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.747 1.314 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.313 3.173 -9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 95 15.669 4.273 -9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.727 1.735 -11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.315 3.316 -12.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.627 2.785 -12.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.513 4.116 -11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.912 2.584 -10.752 1.00 0.00 H new ATOM 1367 N ASN A 96 14.549 2.440 -4.278 1.00 0.00 N ATOM 1368 CA ASN A 96 14.328 2.713 -2.848 1.00 0.00 C ATOM 1369 C ASN A 96 14.733 1.493 -1.979 1.00 0.00 C ATOM 1370 O ASN A 96 14.662 0.362 -2.465 1.00 0.00 O ATOM 1371 CB ASN A 96 12.858 3.129 -2.619 1.00 0.00 C ATOM 1372 CG ASN A 96 12.515 4.495 -3.217 1.00 0.00 C ATOM 1373 OD1 ASN A 96 11.626 4.632 -4.048 1.00 0.00 O ATOM 1374 ND2 ASN A 96 13.187 5.554 -2.800 1.00 0.00 N ATOM 0 H ASN A 96 13.694 2.228 -4.793 1.00 0.00 H new ATOM 0 HA ASN A 96 14.965 3.541 -2.538 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.202 2.375 -3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 96 12.656 3.148 -1.548 1.00 0.00 H new ATOM 0 HD21 ASN A 96 12.964 6.478 -3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.929 5.447 -2.108 1.00 0.00 H new ATOM 1381 N PRO A 97 15.131 1.683 -0.699 1.00 0.00 N ATOM 1382 CA PRO A 97 15.518 0.581 0.188 1.00 0.00 C ATOM 1383 C PRO A 97 14.319 -0.246 0.682 1.00 0.00 C ATOM 1384 O PRO A 97 14.496 -1.400 1.071 1.00 0.00 O ATOM 1385 CB PRO A 97 16.255 1.249 1.354 1.00 0.00 C ATOM 1386 CG PRO A 97 15.602 2.627 1.442 1.00 0.00 C ATOM 1387 CD PRO A 97 15.324 2.962 -0.024 1.00 0.00 C ATOM 0 HA PRO A 97 16.142 -0.139 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.134 0.687 2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.326 1.323 1.163 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.686 2.604 2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.263 3.359 1.906 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.439 3.591 -0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.156 3.513 -0.463 1.00 0.00 H new ATOM 1395 N LYS A 98 13.098 0.309 0.653 1.00 0.00 N ATOM 1396 CA LYS A 98 11.871 -0.384 1.068 1.00 0.00 C ATOM 1397 C LYS A 98 11.462 -1.471 0.046 1.00 0.00 C ATOM 1398 O LYS A 98 10.902 -1.176 -1.009 1.00 0.00 O ATOM 1399 CB LYS A 98 10.792 0.692 1.298 1.00 0.00 C ATOM 1400 CG LYS A 98 9.412 0.183 1.747 1.00 0.00 C ATOM 1401 CD LYS A 98 9.370 -0.554 3.099 1.00 0.00 C ATOM 1402 CE LYS A 98 9.060 -2.057 2.948 1.00 0.00 C ATOM 1403 NZ LYS A 98 8.757 -2.680 4.267 1.00 0.00 N ATOM 0 H LYS A 98 12.934 1.265 0.336 1.00 0.00 H new ATOM 0 HA LYS A 98 12.022 -0.932 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.160 1.392 2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.666 1.254 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.732 1.034 1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.026 -0.487 0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.329 -0.434 3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.615 -0.094 3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.212 -2.190 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.911 -2.562 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.803 -3.715 4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.453 -2.360 4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.803 -2.400 4.572 1.00 0.00 H new ATOM 1417 N GLN A 99 11.733 -2.735 0.381 1.00 0.00 N ATOM 1418 CA GLN A 99 11.530 -3.922 -0.470 1.00 0.00 C ATOM 1419 C GLN A 99 10.244 -4.695 -0.075 1.00 0.00 C ATOM 1420 O GLN A 99 9.731 -4.486 1.030 1.00 0.00 O ATOM 1421 CB GLN A 99 12.801 -4.789 -0.333 1.00 0.00 C ATOM 1422 CG GLN A 99 13.986 -4.189 -1.116 1.00 0.00 C ATOM 1423 CD GLN A 99 15.337 -4.654 -0.567 1.00 0.00 C ATOM 1424 OE1 GLN A 99 15.874 -5.690 -0.943 1.00 0.00 O ATOM 1425 NE2 GLN A 99 15.926 -3.921 0.357 1.00 0.00 N ATOM 0 H GLN A 99 12.118 -2.976 1.294 1.00 0.00 H new ATOM 0 HA GLN A 99 11.381 -3.634 -1.511 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.069 -4.879 0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.596 -5.796 -0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.906 -4.471 -2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.934 -3.101 -1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.489 -3.057 0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.819 -4.218 0.751 1.00 0.00 H new ATOM 1434 N PRO A 100 9.703 -5.572 -0.953 1.00 0.00 N ATOM 1435 CA PRO A 100 8.485 -6.349 -0.706 1.00 0.00 C ATOM 1436 C PRO A 100 8.668 -7.425 0.370 1.00 0.00 C ATOM 1437 O PRO A 100 9.771 -7.913 0.621 1.00 0.00 O ATOM 1438 CB PRO A 100 8.107 -6.977 -2.056 1.00 0.00 C ATOM 1439 CG PRO A 100 9.445 -7.088 -2.778 1.00 0.00 C ATOM 1440 CD PRO A 100 10.157 -5.821 -2.316 1.00 0.00 C ATOM 0 HA PRO A 100 7.698 -5.700 -0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.637 -7.952 -1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.403 -6.353 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 100 9.989 -7.989 -2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 100 9.324 -7.117 -3.861 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.239 -5.949 -2.348 1.00 0.00 H new ATOM 0 HD3 PRO A 100 9.916 -4.980 -2.966 1.00 0.00 H new ATOM 1448 N GLN A 101 7.535 -7.818 0.962 1.00 0.00 N ATOM 1449 CA GLN A 101 7.420 -8.878 1.971 1.00 0.00 C ATOM 1450 C GLN A 101 5.969 -9.384 2.086 1.00 0.00 C ATOM 1451 O GLN A 101 5.762 -10.591 2.209 1.00 0.00 O ATOM 1452 CB GLN A 101 8.002 -8.398 3.319 1.00 0.00 C ATOM 1453 CG GLN A 101 7.232 -7.234 3.965 1.00 0.00 C ATOM 1454 CD GLN A 101 8.016 -6.563 5.093 1.00 0.00 C ATOM 1455 OE1 GLN A 101 8.520 -5.453 4.955 1.00 0.00 O ATOM 1456 NE2 GLN A 101 8.159 -7.196 6.241 1.00 0.00 N ATOM 0 H GLN A 101 6.636 -7.389 0.743 1.00 0.00 H new ATOM 0 HA GLN A 101 8.013 -9.736 1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.017 -9.238 4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 101 9.037 -8.092 3.166 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.995 -6.493 3.202 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.284 -7.603 4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.745 -8.119 6.369 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.683 -6.762 7.001 1.00 0.00 H new ATOM 1465 N TYR A 102 4.961 -8.497 1.973 1.00 0.00 N ATOM 1466 CA TYR A 102 3.533 -8.880 1.986 1.00 0.00 C ATOM 1467 C TYR A 102 2.893 -9.048 0.599 1.00 0.00 C ATOM 1468 O TYR A 102 1.673 -9.200 0.507 1.00 0.00 O ATOM 1469 CB TYR A 102 2.752 -7.889 2.870 1.00 0.00 C ATOM 1470 CG TYR A 102 3.263 -7.790 4.296 1.00 0.00 C ATOM 1471 CD1 TYR A 102 3.178 -8.906 5.154 1.00 0.00 C ATOM 1472 CD2 TYR A 102 3.844 -6.594 4.763 1.00 0.00 C ATOM 1473 CE1 TYR A 102 3.681 -8.836 6.466 1.00 0.00 C ATOM 1474 CE2 TYR A 102 4.358 -6.521 6.073 1.00 0.00 C ATOM 1475 CZ TYR A 102 4.279 -7.641 6.929 1.00 0.00 C ATOM 1476 OH TYR A 102 4.785 -7.566 8.192 1.00 0.00 O ATOM 0 H TYR A 102 5.113 -7.494 1.870 1.00 0.00 H new ATOM 0 HA TYR A 102 3.479 -9.882 2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.793 -6.901 2.412 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.704 -8.187 2.892 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.724 -9.820 4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.895 -5.731 4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.611 -9.694 7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.813 -5.606 6.423 1.00 0.00 H new ATOM 0 HH TYR A 102 5.159 -6.673 8.342 1.00 0.00 H new ATOM 1486 N ILE A 103 3.682 -9.057 -0.484 1.00 0.00 N ATOM 1487 CA ILE A 103 3.208 -9.467 -1.821 1.00 0.00 C ATOM 1488 C ILE A 103 4.004 -10.674 -2.362 1.00 0.00 C ATOM 1489 O ILE A 103 5.229 -10.738 -2.247 1.00 0.00 O ATOM 1490 CB ILE A 103 3.174 -8.253 -2.784 1.00 0.00 C ATOM 1491 CG1 ILE A 103 2.216 -8.514 -3.966 1.00 0.00 C ATOM 1492 CG2 ILE A 103 4.579 -7.845 -3.270 1.00 0.00 C ATOM 1493 CD1 ILE A 103 1.981 -7.283 -4.854 1.00 0.00 C ATOM 0 H ILE A 103 4.664 -8.782 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 103 2.180 -9.819 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 103 2.789 -7.405 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.620 -9.321 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.258 -8.858 -3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.498 -6.990 -3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 103 5.196 -7.576 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.038 -8.680 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.298 -7.543 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.548 -6.481 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.930 -6.951 -5.274 1.00 0.00 H new ATOM 1505 N ILE A 104 3.286 -11.644 -2.932 1.00 0.00 N ATOM 1506 CA ILE A 104 3.788 -12.910 -3.513 1.00 0.00 C ATOM 1507 C ILE A 104 3.370 -13.031 -4.998 1.00 0.00 C ATOM 1508 O ILE A 104 2.327 -12.523 -5.405 1.00 0.00 O ATOM 1509 CB ILE A 104 3.285 -14.093 -2.636 1.00 0.00 C ATOM 1510 CG1 ILE A 104 3.894 -14.001 -1.211 1.00 0.00 C ATOM 1511 CG2 ILE A 104 3.593 -15.470 -3.260 1.00 0.00 C ATOM 1512 CD1 ILE A 104 3.350 -15.026 -0.207 1.00 0.00 C ATOM 0 H ILE A 104 2.272 -11.570 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 104 4.878 -12.929 -3.509 1.00 0.00 H new ATOM 0 HB ILE A 104 2.200 -14.006 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.974 -14.125 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.714 -13.000 -0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.220 -16.258 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.107 -15.546 -4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.670 -15.581 -3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.835 -14.882 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.274 -14.891 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.554 -16.034 -0.569 1.00 0.00 H new ATOM 1524 N SER A 105 4.165 -13.710 -5.828 1.00 0.00 N ATOM 1525 CA SER A 105 3.937 -13.873 -7.272 1.00 0.00 C ATOM 1526 C SER A 105 3.036 -15.085 -7.585 1.00 0.00 C ATOM 1527 O SER A 105 3.268 -16.181 -7.068 1.00 0.00 O ATOM 1528 CB SER A 105 5.279 -14.081 -8.005 1.00 0.00 C ATOM 1529 OG SER A 105 6.235 -13.061 -7.734 1.00 0.00 O ATOM 0 H SER A 105 5.013 -14.178 -5.507 1.00 0.00 H new ATOM 0 HA SER A 105 3.442 -12.964 -7.613 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.696 -15.046 -7.717 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.096 -14.121 -9.079 1.00 0.00 H new ATOM 0 HG SER A 105 5.898 -12.201 -8.063 1.00 0.00 H new ATOM 1535 N VAL A 106 2.056 -14.919 -8.484 1.00 0.00 N ATOM 1536 CA VAL A 106 1.233 -16.012 -9.057 1.00 0.00 C ATOM 1537 C VAL A 106 1.326 -15.985 -10.593 1.00 0.00 C ATOM 1538 O VAL A 106 0.564 -15.297 -11.272 1.00 0.00 O ATOM 1539 CB VAL A 106 -0.242 -15.971 -8.570 1.00 0.00 C ATOM 1540 CG1 VAL A 106 -0.990 -17.244 -9.001 1.00 0.00 C ATOM 1541 CG2 VAL A 106 -0.354 -15.825 -7.041 1.00 0.00 C ATOM 0 H VAL A 106 1.801 -14.000 -8.847 1.00 0.00 H new ATOM 0 HA VAL A 106 1.637 -16.958 -8.696 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.693 -15.093 -9.032 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.021 -17.196 -8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.979 -17.322 -10.088 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.500 -18.117 -8.570 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.405 -15.801 -6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.135 -16.671 -6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.129 -14.899 -6.728 1.00 0.00 H new ATOM 1601 N GLY A 110 -1.307 -12.967 -11.711 1.00 0.00 N ATOM 1602 CA GLY A 110 -1.794 -12.458 -10.434 1.00 0.00 C ATOM 1603 C GLY A 110 -0.645 -12.188 -9.466 1.00 0.00 C ATOM 1604 O GLY A 110 0.376 -12.877 -9.493 1.00 0.00 O ATOM 0 HA2 GLY A 110 -2.357 -11.539 -10.598 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.482 -13.179 -9.992 1.00 0.00 H new ATOM 1608 N TYR A 111 -0.820 -11.228 -8.561 1.00 0.00 N ATOM 1609 CA TYR A 111 0.052 -11.067 -7.390 1.00 0.00 C ATOM 1610 C TYR A 111 -0.759 -11.047 -6.096 1.00 0.00 C ATOM 1611 O TYR A 111 -1.642 -10.221 -5.888 1.00 0.00 O ATOM 1612 CB TYR A 111 0.931 -9.827 -7.515 1.00 0.00 C ATOM 1613 CG TYR A 111 2.107 -10.018 -8.453 1.00 0.00 C ATOM 1614 CD1 TYR A 111 1.914 -10.103 -9.846 1.00 0.00 C ATOM 1615 CD2 TYR A 111 3.393 -10.217 -7.914 1.00 0.00 C ATOM 1616 CE1 TYR A 111 2.979 -10.474 -10.687 1.00 0.00 C ATOM 1617 CE2 TYR A 111 4.468 -10.557 -8.754 1.00 0.00 C ATOM 1618 CZ TYR A 111 4.255 -10.733 -10.139 1.00 0.00 C ATOM 1619 OH TYR A 111 5.269 -11.172 -10.937 1.00 0.00 O ATOM 0 H TYR A 111 -1.569 -10.538 -8.615 1.00 0.00 H new ATOM 0 HA TYR A 111 0.714 -11.932 -7.351 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.324 -8.994 -7.869 1.00 0.00 H new ATOM 0 HB3 TYR A 111 1.303 -9.553 -6.528 1.00 0.00 H new ATOM 0 HD1 TYR A 111 0.945 -9.883 -10.270 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.554 -10.108 -6.852 1.00 0.00 H new ATOM 0 HE1 TYR A 111 2.821 -10.561 -11.752 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.457 -10.684 -8.340 1.00 0.00 H new ATOM 0 HH TYR A 111 6.078 -11.299 -10.398 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.441 -11.996 -5.229 1.00 0.00 N ATOM 1630 CA LYS A 112 -1.157 -12.283 -3.987 1.00 0.00 C ATOM 1631 C LYS A 112 -0.681 -11.356 -2.864 1.00 0.00 C ATOM 1632 O LYS A 112 0.519 -11.224 -2.631 1.00 0.00 O ATOM 1633 CB LYS A 112 -0.985 -13.775 -3.651 1.00 0.00 C ATOM 1634 CG LYS A 112 -1.818 -14.204 -2.429 1.00 0.00 C ATOM 1635 CD LYS A 112 -1.825 -15.726 -2.215 1.00 0.00 C ATOM 1636 CE LYS A 112 -0.429 -16.289 -1.895 1.00 0.00 C ATOM 1637 NZ LYS A 112 -0.481 -17.748 -1.597 1.00 0.00 N ATOM 0 H LYS A 112 0.356 -12.616 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.223 -12.087 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.276 -14.374 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.068 -13.982 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.422 -13.718 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.843 -13.855 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.506 -15.971 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.212 -16.213 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.237 -16.113 -2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.009 -15.757 -1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.477 -18.094 -1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.097 -17.913 -0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.859 -18.257 -2.421 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.616 -10.726 -2.160 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.378 -9.721 -1.119 1.00 0.00 C ATOM 1653 C LEU A 113 -2.411 -9.939 0.002 1.00 0.00 C ATOM 1654 O LEU A 113 -3.483 -10.492 -0.243 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.474 -8.325 -1.792 1.00 0.00 C ATOM 1656 CG LEU A 113 -0.562 -7.195 -1.260 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -0.753 -5.954 -2.144 1.00 0.00 C ATOM 1658 CD2 LEU A 113 -0.823 -6.786 0.195 1.00 0.00 C ATOM 0 H LEU A 113 -2.609 -10.908 -2.304 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.392 -9.800 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.263 -8.452 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.507 -7.986 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 113 0.453 -7.590 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.116 -5.147 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.484 -6.195 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.795 -5.638 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.136 -5.988 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.849 -6.433 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.669 -7.645 0.848 1.00 0.00 H new ATOM 1670 N GLU A 114 -2.122 -9.495 1.222 1.00 0.00 N ATOM 1671 CA GLU A 114 -3.069 -9.551 2.346 1.00 0.00 C ATOM 1672 C GLU A 114 -2.906 -8.344 3.291 1.00 0.00 C ATOM 1673 O GLU A 114 -1.819 -7.774 3.422 1.00 0.00 O ATOM 1674 CB GLU A 114 -2.904 -10.891 3.086 1.00 0.00 C ATOM 1675 CG GLU A 114 -4.058 -11.213 4.044 1.00 0.00 C ATOM 1676 CD GLU A 114 -3.926 -12.641 4.597 1.00 0.00 C ATOM 1677 OE1 GLU A 114 -3.152 -12.857 5.560 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -4.598 -13.562 4.075 1.00 0.00 O ATOM 0 H GLU A 114 -1.221 -9.083 1.466 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.085 -9.493 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.818 -11.693 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -1.971 -10.873 3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.063 -10.498 4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -5.010 -11.106 3.523 1.00 0.00 H new ATOM 1685 N TYR A 115 -4.018 -7.955 3.924 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.144 -6.822 4.853 1.00 0.00 C ATOM 1687 C TYR A 115 -3.470 -7.055 6.225 1.00 0.00 C ATOM 1688 O TYR A 115 -3.354 -8.216 6.688 1.00 0.00 O ATOM 1689 CB TYR A 115 -5.635 -6.463 5.003 1.00 0.00 C ATOM 1690 CG TYR A 115 -6.535 -7.585 5.500 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -7.146 -8.467 4.583 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -6.768 -7.744 6.881 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -7.974 -9.509 5.044 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -7.599 -8.784 7.347 1.00 0.00 C ATOM 1695 CZ TYR A 115 -8.202 -9.671 6.428 1.00 0.00 C ATOM 1696 OH TYR A 115 -9.005 -10.683 6.865 1.00 0.00 O ATOM 1697 OXT TYR A 115 -3.056 -6.051 6.852 1.00 0.00 O ATOM 0 H TYR A 115 -4.902 -8.447 3.797 1.00 0.00 H new ATOM 0 HA TYR A 115 -3.599 -5.982 4.422 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.720 -5.622 5.691 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.008 -6.124 4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.978 -8.342 3.523 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.308 -7.067 7.585 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.435 -10.184 4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -7.774 -8.902 8.406 1.00 0.00 H new ATOM 0 HH TYR A 115 -9.059 -10.659 7.843 1.00 0.00 H new