USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 7 LYS NZ :NH3+ 154:sc= 1.03 (180deg=0.552) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.355 K(o=1.4,f=-0.52) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= 0.396 (180deg=0.265) USER MOD Single : A 13 TYR OH : rot 130:sc=-0.00866 USER MOD Single : A 15 MET CE :methyl 149:sc= -0.132 (180deg=-2.11!) USER MOD Single : A 22 SER OG : rot -36:sc= 0.317 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= 0.155 (180deg=0.119) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -147:sc= 0.158 USER MOD Single : A 41 ASN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -136:sc= -0.213 (180deg=-1.84!) USER MOD Single : A 44 ASN : amide:sc= -3.84! C(o=-3.8!,f=-3.9!) USER MOD Single : A 47 LYS NZ :NH3+ -113:sc= 0.294 (180deg=-0.47) USER MOD Single : A 49 MET CE :methyl -176:sc= -0.0502 (180deg=-0.0607) USER MOD Single : A 51 TYR OH : rot 115:sc=-0.00262 USER MOD Single : A 56 MET CE :methyl 154:sc= 0 (180deg=-0.255) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00653 USER MOD Single : A 63 THR OG1 : rot -34:sc= 0.192 USER MOD Single : A 64 HIS : no HD1:sc= -0.735 X(o=-0.74,f=-0.65) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 140:sc= -0.362 (180deg=-2.16!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -78:sc= 0.143 USER MOD Single : A 79 THR OG1 : rot 157:sc= 0.0255 USER MOD Single : A 82 GLN : amide:sc= -0.0806 X(o=-0.081,f=-0.015) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 75:sc= 0.763 USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 12.993 0.877 1.212 1.00 0.00 N ATOM 40 CA GLU A 4 12.424 0.192 2.398 1.00 0.00 C ATOM 41 C GLU A 4 11.447 1.105 3.153 1.00 0.00 C ATOM 42 O GLU A 4 10.464 0.617 3.725 1.00 0.00 O ATOM 43 CB GLU A 4 13.524 -0.303 3.374 1.00 0.00 C ATOM 44 CG GLU A 4 14.361 0.811 4.036 1.00 0.00 C ATOM 45 CD GLU A 4 15.290 0.291 5.142 1.00 0.00 C ATOM 46 OE1 GLU A 4 14.847 0.171 6.308 1.00 0.00 O ATOM 47 OE2 GLU A 4 16.464 -0.022 4.858 1.00 0.00 O ATOM 0 HA GLU A 4 11.886 -0.677 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.053 -0.896 4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.196 -0.968 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.958 1.310 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.690 1.560 4.456 1.00 0.00 H new ATOM 54 N GLU A 5 11.742 2.426 3.145 1.00 0.00 N ATOM 55 CA GLU A 5 10.871 3.438 3.744 1.00 0.00 C ATOM 56 C GLU A 5 9.490 3.405 3.090 1.00 0.00 C ATOM 57 O GLU A 5 8.515 3.279 3.800 1.00 0.00 O ATOM 58 CB GLU A 5 11.478 4.860 3.649 1.00 0.00 C ATOM 59 CG GLU A 5 12.453 5.249 4.772 1.00 0.00 C ATOM 60 CD GLU A 5 12.866 6.730 4.687 1.00 0.00 C ATOM 61 OE1 GLU A 5 12.032 7.606 5.008 1.00 0.00 O ATOM 62 OE2 GLU A 5 13.988 7.030 4.225 1.00 0.00 O ATOM 0 H GLU A 5 12.588 2.808 2.723 1.00 0.00 H new ATOM 0 HA GLU A 5 10.773 3.197 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.998 4.949 2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.662 5.583 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.988 5.057 5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.342 4.620 4.715 1.00 0.00 H new ATOM 69 N VAL A 6 9.428 3.478 1.740 1.00 0.00 N ATOM 70 CA VAL A 6 8.149 3.457 0.971 1.00 0.00 C ATOM 71 C VAL A 6 7.231 2.314 1.435 1.00 0.00 C ATOM 72 O VAL A 6 6.072 2.553 1.793 1.00 0.00 O ATOM 73 CB VAL A 6 8.413 3.332 -0.581 1.00 0.00 C ATOM 74 CG1 VAL A 6 7.116 3.007 -1.378 1.00 0.00 C ATOM 75 CG2 VAL A 6 9.097 4.615 -1.123 1.00 0.00 C ATOM 0 H VAL A 6 10.256 3.553 1.150 1.00 0.00 H new ATOM 0 HA VAL A 6 7.648 4.405 1.165 1.00 0.00 H new ATOM 0 HB VAL A 6 9.089 2.490 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.351 2.931 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.702 2.061 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.385 3.801 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.271 4.510 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.452 5.475 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.049 4.763 -0.614 1.00 0.00 H new ATOM 85 N LYS A 7 7.794 1.100 1.478 1.00 0.00 N ATOM 86 CA LYS A 7 7.072 -0.106 1.906 1.00 0.00 C ATOM 87 C LYS A 7 6.566 0.031 3.349 1.00 0.00 C ATOM 88 O LYS A 7 5.354 -0.057 3.603 1.00 0.00 O ATOM 89 CB LYS A 7 7.972 -1.374 1.752 1.00 0.00 C ATOM 90 CG LYS A 7 8.150 -1.872 0.283 1.00 0.00 C ATOM 91 CD LYS A 7 9.477 -1.439 -0.370 1.00 0.00 C ATOM 92 CE LYS A 7 10.700 -2.149 0.237 1.00 0.00 C ATOM 93 NZ LYS A 7 10.733 -3.597 -0.085 1.00 0.00 N ATOM 0 H LYS A 7 8.764 0.925 1.217 1.00 0.00 H new ATOM 0 HA LYS A 7 6.203 -0.222 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.955 -1.158 2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.544 -2.181 2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.088 -2.960 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.322 -1.498 -0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.435 -1.647 -1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.596 -0.361 -0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.611 -1.677 -0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.691 -2.021 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.716 -3.936 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.169 -4.121 0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.337 -3.751 -1.034 1.00 0.00 H new ATOM 107 N GLU A 8 7.495 0.287 4.285 1.00 0.00 N ATOM 108 CA GLU A 8 7.187 0.265 5.721 1.00 0.00 C ATOM 109 C GLU A 8 6.203 1.397 6.114 1.00 0.00 C ATOM 110 O GLU A 8 5.379 1.203 7.007 1.00 0.00 O ATOM 111 CB GLU A 8 8.478 0.329 6.575 1.00 0.00 C ATOM 112 CG GLU A 8 9.156 1.710 6.649 1.00 0.00 C ATOM 113 CD GLU A 8 10.344 1.737 7.621 1.00 0.00 C ATOM 114 OE1 GLU A 8 10.105 1.744 8.853 1.00 0.00 O ATOM 115 OE2 GLU A 8 11.512 1.733 7.169 1.00 0.00 O ATOM 0 H GLU A 8 8.466 0.512 4.070 1.00 0.00 H new ATOM 0 HA GLU A 8 6.694 -0.684 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.239 0.006 7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.195 -0.387 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.499 1.995 5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.422 2.454 6.958 1.00 0.00 H new ATOM 122 N LYS A 9 6.278 2.552 5.408 1.00 0.00 N ATOM 123 CA LYS A 9 5.367 3.707 5.589 1.00 0.00 C ATOM 124 C LYS A 9 3.921 3.254 5.415 1.00 0.00 C ATOM 125 O LYS A 9 3.058 3.518 6.263 1.00 0.00 O ATOM 126 CB LYS A 9 5.682 4.832 4.561 1.00 0.00 C ATOM 127 CG LYS A 9 6.958 5.634 4.867 1.00 0.00 C ATOM 128 CD LYS A 9 7.232 6.736 3.818 1.00 0.00 C ATOM 129 CE LYS A 9 8.674 7.271 3.890 1.00 0.00 C ATOM 130 NZ LYS A 9 9.022 7.858 5.212 1.00 0.00 N ATOM 0 H LYS A 9 6.983 2.709 4.687 1.00 0.00 H new ATOM 0 HA LYS A 9 5.514 4.103 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.776 4.386 3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.837 5.519 4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.869 6.090 5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.809 4.955 4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.044 6.339 2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.534 7.559 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.366 6.459 3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.812 8.027 3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.049 8.012 5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.530 8.767 5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.731 7.207 5.969 1.00 0.00 H new ATOM 144 N ILE A 10 3.698 2.537 4.303 1.00 0.00 N ATOM 145 CA ILE A 10 2.391 1.992 3.950 1.00 0.00 C ATOM 146 C ILE A 10 1.899 1.017 5.036 1.00 0.00 C ATOM 147 O ILE A 10 0.747 1.137 5.471 1.00 0.00 O ATOM 148 CB ILE A 10 2.438 1.315 2.533 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.932 2.360 1.476 1.00 0.00 C ATOM 150 CG2 ILE A 10 1.061 0.712 2.128 1.00 0.00 C ATOM 151 CD1 ILE A 10 3.332 1.783 0.134 1.00 0.00 C ATOM 0 H ILE A 10 4.428 2.321 3.624 1.00 0.00 H new ATOM 0 HA ILE A 10 1.673 2.810 3.897 1.00 0.00 H new ATOM 0 HB ILE A 10 3.140 0.482 2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.141 3.093 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.785 2.897 1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.140 0.255 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.766 -0.044 2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.311 1.503 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.658 2.587 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.148 1.073 0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.478 1.273 -0.312 1.00 0.00 H new ATOM 163 N ARG A 11 2.790 0.102 5.531 1.00 0.00 N ATOM 164 CA ARG A 11 2.381 -0.889 6.564 1.00 0.00 C ATOM 165 C ARG A 11 1.988 -0.237 7.885 1.00 0.00 C ATOM 166 O ARG A 11 1.137 -0.770 8.599 1.00 0.00 O ATOM 167 CB ARG A 11 3.384 -2.079 6.762 1.00 0.00 C ATOM 168 CG ARG A 11 4.772 -1.845 7.429 1.00 0.00 C ATOM 169 CD ARG A 11 4.752 -1.574 8.953 1.00 0.00 C ATOM 170 NE ARG A 11 5.989 -2.039 9.618 1.00 0.00 N ATOM 171 CZ ARG A 11 7.087 -1.312 9.846 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.155 -0.047 9.463 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.120 -1.877 10.445 1.00 0.00 N ATOM 0 H ARG A 11 3.765 0.034 5.239 1.00 0.00 H new ATOM 0 HA ARG A 11 1.481 -1.348 6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.869 -2.838 7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.569 -2.510 5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.395 -2.720 7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.253 -1.000 6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.626 -0.506 9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.892 -2.074 9.398 1.00 0.00 H new ATOM 0 HE ARG A 11 6.005 -3.009 9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.363 0.385 8.987 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.999 0.496 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.073 -2.856 10.727 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.965 -1.334 10.625 1.00 0.00 H new ATOM 187 N ARG A 12 2.598 0.911 8.195 1.00 0.00 N ATOM 188 CA ARG A 12 2.304 1.649 9.423 1.00 0.00 C ATOM 189 C ARG A 12 0.900 2.239 9.364 1.00 0.00 C ATOM 190 O ARG A 12 0.170 2.198 10.347 1.00 0.00 O ATOM 191 CB ARG A 12 3.331 2.764 9.637 1.00 0.00 C ATOM 192 CG ARG A 12 4.742 2.276 10.064 1.00 0.00 C ATOM 193 CD ARG A 12 5.828 3.085 9.364 1.00 0.00 C ATOM 194 NE ARG A 12 7.208 2.809 9.819 1.00 0.00 N ATOM 195 CZ ARG A 12 7.721 3.164 11.014 1.00 0.00 C ATOM 196 NH1 ARG A 12 6.988 3.807 11.915 1.00 0.00 N ATOM 197 NH2 ARG A 12 8.987 2.911 11.282 1.00 0.00 N ATOM 0 H ARG A 12 3.304 1.351 7.605 1.00 0.00 H new ATOM 0 HA ARG A 12 2.360 0.955 10.262 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.424 3.336 8.714 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.952 3.447 10.398 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.852 2.368 11.144 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.855 1.219 9.821 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.770 2.892 8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.620 4.145 9.508 1.00 0.00 H new ATOM 0 HE ARG A 12 7.822 2.309 9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.017 4.042 11.709 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.396 4.066 12.813 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.573 2.449 10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.380 3.177 12.185 1.00 0.00 H new ATOM 211 N TYR A 13 0.534 2.772 8.194 1.00 0.00 N ATOM 212 CA TYR A 13 -0.801 3.343 7.966 1.00 0.00 C ATOM 213 C TYR A 13 -1.885 2.245 8.023 1.00 0.00 C ATOM 214 O TYR A 13 -3.031 2.506 8.410 1.00 0.00 O ATOM 215 CB TYR A 13 -0.845 4.086 6.622 1.00 0.00 C ATOM 216 CG TYR A 13 -2.138 4.880 6.420 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.464 5.934 7.282 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.032 4.576 5.396 1.00 0.00 C ATOM 219 CE1 TYR A 13 -3.632 6.643 7.128 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.192 5.293 5.242 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.489 6.320 6.108 1.00 0.00 C ATOM 222 OH TYR A 13 -5.673 7.004 5.980 1.00 0.00 O ATOM 0 H TYR A 13 1.149 2.821 7.382 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.008 4.060 8.761 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.005 4.765 6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.737 3.366 5.811 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.786 6.195 8.082 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.810 3.767 4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.873 7.449 7.806 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.873 5.051 4.440 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.773 7.314 5.056 1.00 0.00 H new ATOM 232 N ILE A 14 -1.501 1.018 7.632 1.00 0.00 N ATOM 233 CA ILE A 14 -2.363 -0.168 7.758 1.00 0.00 C ATOM 234 C ILE A 14 -2.592 -0.502 9.250 1.00 0.00 C ATOM 235 O ILE A 14 -3.657 -0.980 9.631 1.00 0.00 O ATOM 236 CB ILE A 14 -1.739 -1.385 6.989 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.543 -1.024 5.481 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.587 -2.673 7.144 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.607 -1.947 4.735 1.00 0.00 C ATOM 0 H ILE A 14 -0.588 0.822 7.221 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.331 0.047 7.307 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.766 -1.593 7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.515 -1.036 4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.162 -0.005 5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.115 -3.488 6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.656 -2.939 8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.588 -2.500 6.748 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.529 -1.624 3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.379 -1.918 5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.995 -2.965 4.770 1.00 0.00 H new ATOM 251 N MET A 15 -1.581 -0.227 10.086 1.00 0.00 N ATOM 252 CA MET A 15 -1.674 -0.400 11.550 1.00 0.00 C ATOM 253 C MET A 15 -2.541 0.700 12.191 1.00 0.00 C ATOM 254 O MET A 15 -3.317 0.427 13.113 1.00 0.00 O ATOM 255 CB MET A 15 -0.260 -0.382 12.174 1.00 0.00 C ATOM 256 CG MET A 15 0.688 -1.441 11.610 1.00 0.00 C ATOM 257 SD MET A 15 2.393 -1.244 12.161 1.00 0.00 S ATOM 258 CE MET A 15 2.194 -1.408 13.926 1.00 0.00 C ATOM 0 H MET A 15 -0.675 0.121 9.771 1.00 0.00 H new ATOM 0 HA MET A 15 -2.148 -1.362 11.745 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.180 0.603 12.019 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.348 -0.526 13.251 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.332 -2.429 11.902 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.659 -1.401 10.521 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.093 -1.851 14.354 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.028 -0.425 14.366 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.338 -2.049 14.138 1.00 0.00 H new ATOM 268 N GLU A 16 -2.380 1.940 11.688 1.00 0.00 N ATOM 269 CA GLU A 16 -3.054 3.136 12.226 1.00 0.00 C ATOM 270 C GLU A 16 -4.538 3.141 11.848 1.00 0.00 C ATOM 271 O GLU A 16 -5.407 2.935 12.699 1.00 0.00 O ATOM 272 CB GLU A 16 -2.358 4.444 11.724 1.00 0.00 C ATOM 273 CG GLU A 16 -0.881 4.593 12.138 1.00 0.00 C ATOM 274 CD GLU A 16 -0.671 4.509 13.659 1.00 0.00 C ATOM 275 OE1 GLU A 16 -0.754 5.555 14.342 1.00 0.00 O ATOM 276 OE2 GLU A 16 -0.421 3.395 14.178 1.00 0.00 O ATOM 0 H GLU A 16 -1.774 2.140 10.892 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.976 3.103 13.313 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.420 4.477 10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.914 5.302 12.101 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.293 3.814 11.652 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.503 5.550 11.777 1.00 0.00 H new ATOM 283 N ASP A 17 -4.797 3.346 10.558 1.00 0.00 N ATOM 284 CA ASP A 17 -6.142 3.557 10.014 1.00 0.00 C ATOM 285 C ASP A 17 -6.901 2.230 9.822 1.00 0.00 C ATOM 286 O ASP A 17 -7.971 2.028 10.409 1.00 0.00 O ATOM 287 CB ASP A 17 -6.027 4.315 8.671 1.00 0.00 C ATOM 288 CG ASP A 17 -7.369 4.500 7.945 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.170 5.354 8.373 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.634 3.794 6.952 1.00 0.00 O ATOM 0 H ASP A 17 -4.066 3.371 9.847 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.715 4.148 10.728 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.586 5.295 8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.343 3.775 8.017 1.00 0.00 H new ATOM 295 N LEU A 18 -6.314 1.337 8.997 1.00 0.00 N ATOM 296 CA LEU A 18 -7.006 0.144 8.460 1.00 0.00 C ATOM 297 C LEU A 18 -7.407 -0.842 9.581 1.00 0.00 C ATOM 298 O LEU A 18 -8.588 -1.170 9.739 1.00 0.00 O ATOM 299 CB LEU A 18 -6.128 -0.570 7.383 1.00 0.00 C ATOM 300 CG LEU A 18 -5.999 0.124 5.977 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.309 1.508 6.021 1.00 0.00 C ATOM 302 CD2 LEU A 18 -5.303 -0.818 4.973 1.00 0.00 C ATOM 0 H LEU A 18 -5.347 1.422 8.684 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.924 0.488 7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.125 -0.691 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.532 -1.571 7.229 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.016 0.320 5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.258 1.921 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.882 2.180 6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.301 1.399 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.222 -0.323 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.307 -1.067 5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.888 -1.731 4.865 1.00 0.00 H new ATOM 314 N ILE A 19 -6.420 -1.314 10.353 1.00 0.00 N ATOM 315 CA ILE A 19 -6.642 -2.321 11.408 1.00 0.00 C ATOM 316 C ILE A 19 -6.858 -1.625 12.760 1.00 0.00 C ATOM 317 O ILE A 19 -7.998 -1.314 13.117 1.00 0.00 O ATOM 318 CB ILE A 19 -5.465 -3.370 11.464 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.172 -3.950 10.043 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.764 -4.510 12.481 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.966 -4.874 9.976 1.00 0.00 C ATOM 0 H ILE A 19 -5.449 -1.013 10.268 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.545 -2.883 11.168 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.573 -2.849 11.811 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.051 -4.495 9.698 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.019 -3.122 9.351 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.932 -5.214 12.493 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.894 -4.085 13.476 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.675 -5.030 12.187 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.837 -5.230 8.954 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.074 -4.331 10.287 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.122 -5.725 10.639 1.00 0.00 H new ATOM 333 N GLY A 20 -5.765 -1.362 13.500 1.00 0.00 N ATOM 334 CA GLY A 20 -5.839 -0.763 14.831 1.00 0.00 C ATOM 335 C GLY A 20 -5.341 -1.721 15.926 1.00 0.00 C ATOM 336 O GLY A 20 -4.162 -1.671 16.289 1.00 0.00 O ATOM 0 H GLY A 20 -4.814 -1.560 13.188 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.244 0.150 14.851 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.869 -0.476 15.042 1.00 0.00 H new ATOM 340 N PRO A 21 -6.215 -2.653 16.437 1.00 0.00 N ATOM 341 CA PRO A 21 -5.908 -3.497 17.610 1.00 0.00 C ATOM 342 C PRO A 21 -5.046 -4.740 17.279 1.00 0.00 C ATOM 343 O PRO A 21 -4.085 -5.045 18.004 1.00 0.00 O ATOM 344 CB PRO A 21 -7.318 -3.881 18.157 1.00 0.00 C ATOM 345 CG PRO A 21 -8.320 -3.545 17.071 1.00 0.00 C ATOM 346 CD PRO A 21 -7.553 -2.958 15.893 1.00 0.00 C ATOM 0 HA PRO A 21 -5.293 -2.968 18.338 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.360 -4.941 18.406 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.540 -3.330 19.071 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.865 -4.438 16.765 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.058 -2.832 17.440 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.493 -3.666 15.066 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.040 -2.061 15.510 1.00 0.00 H new ATOM 354 N SER A 22 -5.368 -5.443 16.170 1.00 0.00 N ATOM 355 CA SER A 22 -4.654 -6.675 15.749 1.00 0.00 C ATOM 356 C SER A 22 -3.365 -6.338 14.951 1.00 0.00 C ATOM 357 O SER A 22 -2.792 -7.198 14.267 1.00 0.00 O ATOM 358 CB SER A 22 -5.613 -7.557 14.915 1.00 0.00 C ATOM 359 OG SER A 22 -5.086 -8.854 14.667 1.00 0.00 O ATOM 0 H SER A 22 -6.126 -5.176 15.542 1.00 0.00 H new ATOM 0 HA SER A 22 -4.342 -7.225 16.637 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.564 -7.649 15.439 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.819 -7.065 13.965 1.00 0.00 H new ATOM 0 HG SER A 22 -4.117 -8.794 14.537 1.00 0.00 H new ATOM 365 N ALA A 23 -2.894 -5.090 15.085 1.00 0.00 N ATOM 366 CA ALA A 23 -1.725 -4.572 14.393 1.00 0.00 C ATOM 367 C ALA A 23 -0.712 -4.162 15.451 1.00 0.00 C ATOM 368 O ALA A 23 -0.628 -2.995 15.847 1.00 0.00 O ATOM 369 CB ALA A 23 -2.128 -3.403 13.482 1.00 0.00 C ATOM 0 H ALA A 23 -3.334 -4.402 15.696 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.277 -5.326 13.746 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.246 -3.022 12.968 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.855 -3.748 12.747 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.569 -2.608 14.084 1.00 0.00 H new ATOM 375 N LYS A 24 -0.003 -5.179 15.964 1.00 0.00 N ATOM 376 CA LYS A 24 1.034 -5.002 16.988 1.00 0.00 C ATOM 377 C LYS A 24 2.235 -4.257 16.407 1.00 0.00 C ATOM 378 O LYS A 24 2.367 -4.153 15.181 1.00 0.00 O ATOM 379 CB LYS A 24 1.519 -6.370 17.542 1.00 0.00 C ATOM 380 CG LYS A 24 0.415 -7.341 17.986 1.00 0.00 C ATOM 381 CD LYS A 24 -0.573 -6.714 18.991 1.00 0.00 C ATOM 382 CE LYS A 24 -1.716 -7.658 19.383 1.00 0.00 C ATOM 383 NZ LYS A 24 -2.738 -6.962 20.197 1.00 0.00 N ATOM 0 H LYS A 24 -0.134 -6.149 15.679 1.00 0.00 H new ATOM 0 HA LYS A 24 0.593 -4.424 17.800 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.120 -6.859 16.775 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.176 -6.184 18.391 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.135 -7.682 17.109 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.873 -8.221 18.437 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.030 -6.419 19.889 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.993 -5.805 18.559 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.180 -8.063 18.484 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.316 -8.503 19.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.385 -7.661 20.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.271 -6.426 20.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.277 -6.309 19.593 1.00 0.00 H new ATOM 397 N GLU A 25 3.162 -3.870 17.301 1.00 0.00 N ATOM 398 CA GLU A 25 4.368 -3.080 16.971 1.00 0.00 C ATOM 399 C GLU A 25 5.238 -3.740 15.871 1.00 0.00 C ATOM 400 O GLU A 25 6.079 -3.066 15.273 1.00 0.00 O ATOM 401 CB GLU A 25 5.222 -2.883 18.256 1.00 0.00 C ATOM 402 CG GLU A 25 4.457 -2.281 19.453 1.00 0.00 C ATOM 403 CD GLU A 25 5.295 -2.237 20.749 1.00 0.00 C ATOM 404 OE1 GLU A 25 5.479 -3.304 21.386 1.00 0.00 O ATOM 405 OE2 GLU A 25 5.771 -1.145 21.140 1.00 0.00 O ATOM 0 H GLU A 25 3.095 -4.100 18.292 1.00 0.00 H new ATOM 0 HA GLU A 25 4.029 -2.121 16.580 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.634 -3.847 18.553 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.066 -2.235 18.019 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.137 -1.270 19.200 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.555 -2.866 19.631 1.00 0.00 H new ATOM 412 N ASP A 26 5.024 -5.051 15.611 1.00 0.00 N ATOM 413 CA ASP A 26 5.828 -5.812 14.641 1.00 0.00 C ATOM 414 C ASP A 26 4.954 -6.896 13.952 1.00 0.00 C ATOM 415 O ASP A 26 5.417 -8.005 13.669 1.00 0.00 O ATOM 416 CB ASP A 26 7.052 -6.424 15.390 1.00 0.00 C ATOM 417 CG ASP A 26 8.218 -6.836 14.470 1.00 0.00 C ATOM 418 OD1 ASP A 26 8.782 -5.950 13.788 1.00 0.00 O ATOM 419 OD2 ASP A 26 8.615 -8.026 14.458 1.00 0.00 O ATOM 0 H ASP A 26 4.295 -5.601 16.065 1.00 0.00 H new ATOM 0 HA ASP A 26 6.197 -5.160 13.849 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.417 -5.699 16.117 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.720 -7.298 15.950 1.00 0.00 H new ATOM 424 N GLU A 27 3.668 -6.563 13.692 1.00 0.00 N ATOM 425 CA GLU A 27 2.735 -7.458 12.960 1.00 0.00 C ATOM 426 C GLU A 27 2.834 -7.221 11.448 1.00 0.00 C ATOM 427 O GLU A 27 3.087 -8.150 10.671 1.00 0.00 O ATOM 428 CB GLU A 27 1.249 -7.267 13.435 1.00 0.00 C ATOM 429 CG GLU A 27 0.798 -8.222 14.554 1.00 0.00 C ATOM 430 CD GLU A 27 0.666 -9.689 14.113 1.00 0.00 C ATOM 431 OE1 GLU A 27 1.673 -10.427 14.124 1.00 0.00 O ATOM 432 OE2 GLU A 27 -0.453 -10.108 13.755 1.00 0.00 O ATOM 0 H GLU A 27 3.250 -5.678 13.979 1.00 0.00 H new ATOM 0 HA GLU A 27 3.030 -8.483 13.183 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.122 -6.241 13.780 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.589 -7.398 12.577 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.512 -8.164 15.376 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.163 -7.883 14.941 1.00 0.00 H new ATOM 439 N LEU A 28 2.566 -5.971 11.042 1.00 0.00 N ATOM 440 CA LEU A 28 2.634 -5.554 9.637 1.00 0.00 C ATOM 441 C LEU A 28 4.097 -5.356 9.255 1.00 0.00 C ATOM 442 O LEU A 28 4.840 -4.660 9.952 1.00 0.00 O ATOM 443 CB LEU A 28 1.791 -4.263 9.383 1.00 0.00 C ATOM 444 CG LEU A 28 0.242 -4.459 9.270 1.00 0.00 C ATOM 445 CD1 LEU A 28 -0.132 -5.322 8.045 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.350 -5.043 10.563 1.00 0.00 C ATOM 0 H LEU A 28 2.296 -5.222 11.680 1.00 0.00 H new ATOM 0 HA LEU A 28 2.202 -6.331 9.007 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.989 -3.560 10.192 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.145 -3.798 8.463 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.197 -3.472 9.124 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.215 -5.437 7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.221 -4.835 7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.334 -6.303 8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.427 -5.165 10.447 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.105 -6.012 10.766 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.149 -4.366 11.393 1.00 0.00 H new ATOM 458 N ASP A 29 4.489 -5.986 8.157 1.00 0.00 N ATOM 459 CA ASP A 29 5.891 -6.061 7.703 1.00 0.00 C ATOM 460 C ASP A 29 5.966 -6.016 6.174 1.00 0.00 C ATOM 461 O ASP A 29 4.937 -6.002 5.483 1.00 0.00 O ATOM 462 CB ASP A 29 6.572 -7.359 8.246 1.00 0.00 C ATOM 463 CG ASP A 29 6.926 -7.273 9.744 1.00 0.00 C ATOM 464 OD1 ASP A 29 7.988 -6.692 10.077 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.158 -7.777 10.588 1.00 0.00 O ATOM 0 H ASP A 29 3.839 -6.471 7.538 1.00 0.00 H new ATOM 0 HA ASP A 29 6.427 -5.198 8.098 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.906 -8.207 8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.480 -7.553 7.674 1.00 0.00 H new ATOM 470 N ASP A 30 7.211 -6.026 5.676 1.00 0.00 N ATOM 471 CA ASP A 30 7.551 -5.855 4.252 1.00 0.00 C ATOM 472 C ASP A 30 6.986 -6.986 3.373 1.00 0.00 C ATOM 473 O ASP A 30 6.578 -6.766 2.226 1.00 0.00 O ATOM 474 CB ASP A 30 9.094 -5.776 4.112 1.00 0.00 C ATOM 475 CG ASP A 30 9.571 -5.573 2.669 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.182 -4.569 2.050 1.00 0.00 O ATOM 477 OD2 ASP A 30 10.319 -6.422 2.141 1.00 0.00 O ATOM 0 H ASP A 30 8.032 -6.157 6.266 1.00 0.00 H new ATOM 0 HA ASP A 30 7.092 -4.931 3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.464 -4.956 4.727 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.533 -6.693 4.505 1.00 0.00 H new ATOM 482 N GLN A 31 6.973 -8.203 3.927 1.00 0.00 N ATOM 483 CA GLN A 31 6.539 -9.416 3.217 1.00 0.00 C ATOM 484 C GLN A 31 5.312 -10.021 3.913 1.00 0.00 C ATOM 485 O GLN A 31 5.086 -11.234 3.869 1.00 0.00 O ATOM 486 CB GLN A 31 7.727 -10.415 3.076 1.00 0.00 C ATOM 487 CG GLN A 31 8.870 -9.862 2.197 1.00 0.00 C ATOM 488 CD GLN A 31 9.992 -10.859 1.919 1.00 0.00 C ATOM 489 OE1 GLN A 31 10.958 -10.953 2.668 1.00 0.00 O ATOM 490 NE2 GLN A 31 9.885 -11.593 0.823 1.00 0.00 N ATOM 0 H GLN A 31 7.265 -8.378 4.888 1.00 0.00 H new ATOM 0 HA GLN A 31 6.230 -9.164 2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.117 -10.651 4.066 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.363 -11.348 2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.452 -9.529 1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.294 -8.984 2.684 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.069 -11.492 0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.619 -12.259 0.582 1.00 0.00 H new ATOM 499 N THR A 32 4.540 -9.145 4.583 1.00 0.00 N ATOM 500 CA THR A 32 3.218 -9.479 5.109 1.00 0.00 C ATOM 501 C THR A 32 2.204 -9.574 3.931 1.00 0.00 C ATOM 502 O THR A 32 2.083 -8.628 3.148 1.00 0.00 O ATOM 503 CB THR A 32 2.760 -8.421 6.165 1.00 0.00 C ATOM 504 OG1 THR A 32 3.549 -8.563 7.355 1.00 0.00 O ATOM 505 CG2 THR A 32 1.268 -8.522 6.526 1.00 0.00 C ATOM 0 H THR A 32 4.824 -8.184 4.772 1.00 0.00 H new ATOM 0 HA THR A 32 3.263 -10.444 5.613 1.00 0.00 H new ATOM 0 HB THR A 32 2.908 -7.441 5.712 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.006 -8.332 8.137 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.020 -7.759 7.263 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.666 -8.371 5.630 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.060 -9.508 6.941 1.00 0.00 H new ATOM 513 N PRO A 33 1.508 -10.741 3.777 1.00 0.00 N ATOM 514 CA PRO A 33 0.470 -10.934 2.746 1.00 0.00 C ATOM 515 C PRO A 33 -0.842 -10.194 3.101 1.00 0.00 C ATOM 516 O PRO A 33 -1.641 -10.680 3.906 1.00 0.00 O ATOM 517 CB PRO A 33 0.275 -12.470 2.723 1.00 0.00 C ATOM 518 CG PRO A 33 0.662 -12.935 4.100 1.00 0.00 C ATOM 519 CD PRO A 33 1.708 -11.962 4.599 1.00 0.00 C ATOM 0 HA PRO A 33 0.757 -10.527 1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.758 -12.733 2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.899 -12.935 1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.203 -12.949 4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.058 -13.950 4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.578 -11.751 5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.714 -12.363 4.474 1.00 0.00 H new ATOM 527 N LEU A 34 -1.052 -9.018 2.489 1.00 0.00 N ATOM 528 CA LEU A 34 -2.200 -8.144 2.782 1.00 0.00 C ATOM 529 C LEU A 34 -3.561 -8.842 2.475 1.00 0.00 C ATOM 530 O LEU A 34 -4.537 -8.650 3.218 1.00 0.00 O ATOM 531 CB LEU A 34 -2.088 -6.813 1.989 1.00 0.00 C ATOM 532 CG LEU A 34 -0.907 -5.826 2.328 1.00 0.00 C ATOM 533 CD1 LEU A 34 -0.753 -5.574 3.836 1.00 0.00 C ATOM 534 CD2 LEU A 34 0.417 -6.241 1.700 1.00 0.00 C ATOM 0 H LEU A 34 -0.428 -8.645 1.774 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.176 -7.927 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.015 -7.064 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.023 -6.269 2.124 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.191 -4.878 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.076 -4.887 4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.672 -5.139 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.553 -6.517 4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.190 -5.521 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.698 -7.229 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.312 -6.270 0.615 1.00 0.00 H new ATOM 546 N LEU A 35 -3.630 -9.650 1.379 1.00 0.00 N ATOM 547 CA LEU A 35 -4.874 -10.384 1.021 1.00 0.00 C ATOM 548 C LEU A 35 -5.149 -11.549 1.985 1.00 0.00 C ATOM 549 O LEU A 35 -6.305 -11.813 2.318 1.00 0.00 O ATOM 550 CB LEU A 35 -4.900 -10.916 -0.443 1.00 0.00 C ATOM 551 CG LEU A 35 -4.995 -9.845 -1.578 1.00 0.00 C ATOM 552 CD1 LEU A 35 -5.959 -8.697 -1.209 1.00 0.00 C ATOM 553 CD2 LEU A 35 -3.617 -9.322 -1.967 1.00 0.00 C ATOM 0 H LEU A 35 -2.851 -9.807 0.739 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.663 -9.637 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.998 -11.506 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.747 -11.594 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.415 -10.340 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.995 -7.975 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.957 -9.101 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.607 -8.203 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.720 -8.579 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.143 -8.864 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.001 -10.148 -2.323 1.00 0.00 H new ATOM 565 N GLU A 36 -4.081 -12.233 2.424 1.00 0.00 N ATOM 566 CA GLU A 36 -4.186 -13.392 3.336 1.00 0.00 C ATOM 567 C GLU A 36 -4.721 -12.944 4.713 1.00 0.00 C ATOM 568 O GLU A 36 -5.435 -13.689 5.399 1.00 0.00 O ATOM 569 CB GLU A 36 -2.800 -14.063 3.468 1.00 0.00 C ATOM 570 CG GLU A 36 -2.757 -15.369 4.275 1.00 0.00 C ATOM 571 CD GLU A 36 -3.610 -16.492 3.651 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.172 -17.085 2.635 1.00 0.00 O ATOM 573 OE2 GLU A 36 -4.718 -16.793 4.164 1.00 0.00 O ATOM 0 H GLU A 36 -3.123 -12.003 2.161 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.890 -14.117 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.420 -14.265 2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.116 -13.351 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.724 -15.707 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.107 -15.175 5.289 1.00 0.00 H new ATOM 580 N TRP A 37 -4.365 -11.707 5.089 1.00 0.00 N ATOM 581 CA TRP A 37 -4.895 -11.045 6.295 1.00 0.00 C ATOM 582 C TRP A 37 -6.346 -10.547 6.074 1.00 0.00 C ATOM 583 O TRP A 37 -7.072 -10.317 7.047 1.00 0.00 O ATOM 584 CB TRP A 37 -3.962 -9.877 6.712 1.00 0.00 C ATOM 585 CG TRP A 37 -2.640 -10.319 7.308 1.00 0.00 C ATOM 586 CD1 TRP A 37 -1.808 -11.301 6.844 1.00 0.00 C ATOM 587 CD2 TRP A 37 -2.006 -9.792 8.483 1.00 0.00 C ATOM 588 NE1 TRP A 37 -0.707 -11.411 7.640 1.00 0.00 N ATOM 589 CE2 TRP A 37 -0.804 -10.504 8.658 1.00 0.00 C ATOM 590 CE3 TRP A 37 -2.339 -8.789 9.398 1.00 0.00 C ATOM 591 CZ2 TRP A 37 0.068 -10.243 9.707 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -1.473 -8.533 10.444 1.00 0.00 C ATOM 593 CH2 TRP A 37 -0.282 -9.260 10.588 1.00 0.00 C ATOM 0 H TRP A 37 -3.701 -11.135 4.567 1.00 0.00 H new ATOM 0 HA TRP A 37 -4.924 -11.775 7.104 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.764 -9.256 5.839 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.483 -9.252 7.437 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.997 -11.905 5.969 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.064 -12.064 7.499 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.254 -8.226 9.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.988 -10.797 9.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.717 -7.763 11.161 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.374 -9.037 11.416 1.00 0.00 H new ATOM 604 N GLY A 38 -6.750 -10.367 4.795 1.00 0.00 N ATOM 605 CA GLY A 38 -8.131 -9.969 4.439 1.00 0.00 C ATOM 606 C GLY A 38 -8.457 -8.536 4.833 1.00 0.00 C ATOM 607 O GLY A 38 -9.625 -8.167 4.984 1.00 0.00 O ATOM 0 H GLY A 38 -6.136 -10.492 3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.271 -10.085 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.835 -10.643 4.927 1.00 0.00 H new ATOM 611 N ILE A 39 -7.402 -7.734 4.979 1.00 0.00 N ATOM 612 CA ILE A 39 -7.459 -6.362 5.509 1.00 0.00 C ATOM 613 C ILE A 39 -7.699 -5.328 4.395 1.00 0.00 C ATOM 614 O ILE A 39 -7.923 -4.158 4.692 1.00 0.00 O ATOM 615 CB ILE A 39 -6.156 -6.028 6.324 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.880 -6.242 5.443 1.00 0.00 C ATOM 617 CG2 ILE A 39 -6.104 -6.868 7.630 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.561 -6.085 6.169 1.00 0.00 C ATOM 0 H ILE A 39 -6.457 -8.024 4.727 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.311 -6.305 6.187 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.180 -4.976 6.608 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.921 -7.241 5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.907 -5.534 4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.196 -6.625 8.183 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.975 -6.640 8.244 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.104 -7.929 7.380 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.740 -6.253 5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.489 -5.078 6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.503 -6.811 6.980 1.00 0.00 H new ATOM 630 N LEU A 40 -7.627 -5.761 3.109 1.00 0.00 N ATOM 631 CA LEU A 40 -7.788 -4.852 1.945 1.00 0.00 C ATOM 632 C LEU A 40 -9.169 -5.057 1.283 1.00 0.00 C ATOM 633 O LEU A 40 -9.397 -6.019 0.539 1.00 0.00 O ATOM 634 CB LEU A 40 -6.653 -5.042 0.901 1.00 0.00 C ATOM 635 CG LEU A 40 -5.191 -4.781 1.399 1.00 0.00 C ATOM 636 CD1 LEU A 40 -4.228 -4.620 0.212 1.00 0.00 C ATOM 637 CD2 LEU A 40 -5.099 -3.578 2.366 1.00 0.00 C ATOM 0 H LEU A 40 -7.459 -6.734 2.853 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.723 -3.830 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.707 -6.062 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.850 -4.378 0.059 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.888 -5.659 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.219 -4.440 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.236 -5.529 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.545 -3.777 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.064 -3.442 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.446 -2.677 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.722 -3.766 3.241 1.00 0.00 H new ATOM 649 N ASN A 41 -10.077 -4.124 1.617 1.00 0.00 N ATOM 650 CA ASN A 41 -11.484 -4.095 1.160 1.00 0.00 C ATOM 651 C ASN A 41 -11.808 -2.672 0.651 1.00 0.00 C ATOM 652 O ASN A 41 -11.019 -1.743 0.891 1.00 0.00 O ATOM 653 CB ASN A 41 -12.433 -4.479 2.337 1.00 0.00 C ATOM 654 CG ASN A 41 -12.077 -5.811 3.006 1.00 0.00 C ATOM 655 OD1 ASN A 41 -12.556 -6.873 2.609 1.00 0.00 O ATOM 656 ND2 ASN A 41 -11.215 -5.761 4.017 1.00 0.00 N ATOM 0 H ASN A 41 -9.848 -3.343 2.232 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.630 -4.814 0.354 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.407 -3.688 3.086 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.456 -4.532 1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.932 -6.620 4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.837 -4.864 4.321 1.00 0.00 H new ATOM 663 N SER A 42 -12.984 -2.504 -0.010 1.00 0.00 N ATOM 664 CA SER A 42 -13.409 -1.222 -0.643 1.00 0.00 C ATOM 665 C SER A 42 -13.423 -0.034 0.345 1.00 0.00 C ATOM 666 O SER A 42 -13.240 1.123 -0.062 1.00 0.00 O ATOM 667 CB SER A 42 -14.828 -1.346 -1.263 1.00 0.00 C ATOM 668 OG SER A 42 -14.854 -2.185 -2.396 1.00 0.00 O ATOM 0 H SER A 42 -13.667 -3.254 -0.120 1.00 0.00 H new ATOM 0 HA SER A 42 -12.667 -1.024 -1.416 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.516 -1.735 -0.512 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.187 -0.355 -1.541 1.00 0.00 H new ATOM 0 HG SER A 42 -15.768 -2.232 -2.748 1.00 0.00 H new ATOM 673 N MET A 43 -13.656 -0.326 1.629 1.00 0.00 N ATOM 674 CA MET A 43 -13.733 0.700 2.675 1.00 0.00 C ATOM 675 C MET A 43 -12.360 1.368 2.886 1.00 0.00 C ATOM 676 O MET A 43 -12.225 2.591 2.779 1.00 0.00 O ATOM 677 CB MET A 43 -14.251 0.069 3.997 1.00 0.00 C ATOM 678 CG MET A 43 -14.563 1.063 5.139 1.00 0.00 C ATOM 679 SD MET A 43 -16.019 2.121 4.842 1.00 0.00 S ATOM 680 CE MET A 43 -15.368 3.514 3.904 1.00 0.00 C ATOM 0 H MET A 43 -13.796 -1.276 1.972 1.00 0.00 H new ATOM 0 HA MET A 43 -14.434 1.473 2.359 1.00 0.00 H new ATOM 0 HB2 MET A 43 -15.155 -0.498 3.777 1.00 0.00 H new ATOM 0 HB3 MET A 43 -13.507 -0.643 4.354 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.719 0.502 6.060 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.693 1.700 5.298 1.00 0.00 H new ATOM 0 HE1 MET A 43 -15.783 4.443 4.296 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.282 3.536 3.992 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.645 3.408 2.855 1.00 0.00 H new ATOM 690 N ASN A 44 -11.351 0.536 3.142 1.00 0.00 N ATOM 691 CA ASN A 44 -10.000 0.988 3.518 1.00 0.00 C ATOM 692 C ASN A 44 -9.084 1.227 2.301 1.00 0.00 C ATOM 693 O ASN A 44 -8.033 1.862 2.444 1.00 0.00 O ATOM 694 CB ASN A 44 -9.362 -0.018 4.495 1.00 0.00 C ATOM 695 CG ASN A 44 -9.163 -1.403 3.886 1.00 0.00 C ATOM 696 OD1 ASN A 44 -10.051 -2.256 3.945 1.00 0.00 O ATOM 697 ND2 ASN A 44 -8.010 -1.626 3.269 1.00 0.00 N ATOM 0 H ASN A 44 -11.443 -0.479 3.096 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.110 1.954 4.011 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.398 0.368 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.992 -0.104 5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.836 -2.527 2.824 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.298 -0.897 3.240 1.00 0.00 H new ATOM 704 N ILE A 45 -9.478 0.696 1.117 1.00 0.00 N ATOM 705 CA ILE A 45 -8.640 0.741 -0.107 1.00 0.00 C ATOM 706 C ILE A 45 -8.332 2.199 -0.513 1.00 0.00 C ATOM 707 O ILE A 45 -7.191 2.521 -0.845 1.00 0.00 O ATOM 708 CB ILE A 45 -9.311 -0.034 -1.318 1.00 0.00 C ATOM 709 CG1 ILE A 45 -8.313 -0.237 -2.501 1.00 0.00 C ATOM 710 CG2 ILE A 45 -10.594 0.661 -1.825 1.00 0.00 C ATOM 711 CD1 ILE A 45 -7.156 -1.157 -2.199 1.00 0.00 C ATOM 0 H ILE A 45 -10.375 0.230 0.984 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.704 0.236 0.132 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.591 -1.012 -0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.860 -0.633 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.919 0.735 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.014 0.091 -2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.322 0.715 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.352 1.669 -2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.516 -1.238 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.579 -0.755 -1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.535 -2.144 -1.934 1.00 0.00 H new ATOM 723 N VAL A 46 -9.358 3.077 -0.412 1.00 0.00 N ATOM 724 CA VAL A 46 -9.266 4.484 -0.822 1.00 0.00 C ATOM 725 C VAL A 46 -8.272 5.250 0.071 1.00 0.00 C ATOM 726 O VAL A 46 -7.581 6.147 -0.415 1.00 0.00 O ATOM 727 CB VAL A 46 -10.684 5.189 -0.832 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.596 4.578 -1.931 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.371 5.133 0.566 1.00 0.00 C ATOM 0 H VAL A 46 -10.273 2.821 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.891 4.503 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.525 6.241 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.565 5.078 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.130 4.713 -2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.734 3.514 -1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.341 5.628 0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.509 4.093 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.744 5.639 1.300 1.00 0.00 H new ATOM 739 N LYS A 47 -8.167 4.853 1.362 1.00 0.00 N ATOM 740 CA LYS A 47 -7.218 5.468 2.307 1.00 0.00 C ATOM 741 C LYS A 47 -5.763 5.113 1.952 1.00 0.00 C ATOM 742 O LYS A 47 -4.867 5.912 2.206 1.00 0.00 O ATOM 743 CB LYS A 47 -7.544 5.134 3.796 1.00 0.00 C ATOM 744 CG LYS A 47 -8.688 5.995 4.406 1.00 0.00 C ATOM 745 CD LYS A 47 -10.101 5.433 4.134 1.00 0.00 C ATOM 746 CE LYS A 47 -10.440 4.240 5.029 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.390 4.582 6.471 1.00 0.00 N ATOM 0 H LYS A 47 -8.732 4.107 1.769 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.334 6.547 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.818 4.081 3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.643 5.271 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.538 6.072 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.625 7.006 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.838 6.221 4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.173 5.131 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.436 3.874 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.742 3.428 4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.603 4.073 6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.247 5.606 6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.285 4.307 6.924 1.00 0.00 H new ATOM 761 N LEU A 48 -5.532 3.922 1.363 1.00 0.00 N ATOM 762 CA LEU A 48 -4.204 3.564 0.823 1.00 0.00 C ATOM 763 C LEU A 48 -3.933 4.345 -0.475 1.00 0.00 C ATOM 764 O LEU A 48 -2.872 4.928 -0.641 1.00 0.00 O ATOM 765 CB LEU A 48 -4.080 2.032 0.575 1.00 0.00 C ATOM 766 CG LEU A 48 -3.996 1.136 1.851 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.804 -0.351 1.479 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.883 1.621 2.816 1.00 0.00 C ATOM 0 H LEU A 48 -6.241 3.197 1.250 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.455 3.837 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.937 1.709 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.191 1.853 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.947 1.228 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.749 -0.949 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.646 -0.686 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.881 -0.468 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.854 0.974 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.920 1.586 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.092 2.644 3.127 1.00 0.00 H new ATOM 780 N MET A 49 -4.923 4.378 -1.366 1.00 0.00 N ATOM 781 CA MET A 49 -4.814 5.034 -2.685 1.00 0.00 C ATOM 782 C MET A 49 -4.521 6.553 -2.566 1.00 0.00 C ATOM 783 O MET A 49 -3.874 7.126 -3.450 1.00 0.00 O ATOM 784 CB MET A 49 -6.113 4.764 -3.483 1.00 0.00 C ATOM 785 CG MET A 49 -6.358 3.271 -3.795 1.00 0.00 C ATOM 786 SD MET A 49 -8.077 2.902 -4.204 1.00 0.00 S ATOM 787 CE MET A 49 -8.302 3.843 -5.701 1.00 0.00 C ATOM 0 H MET A 49 -5.833 3.949 -1.199 1.00 0.00 H new ATOM 0 HA MET A 49 -3.963 4.610 -3.219 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.961 5.151 -2.919 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.074 5.319 -4.420 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.721 2.971 -4.627 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.060 2.673 -2.934 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.339 3.766 -6.027 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.057 4.889 -5.514 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.647 3.451 -6.479 1.00 0.00 H new ATOM 797 N VAL A 50 -5.005 7.191 -1.475 1.00 0.00 N ATOM 798 CA VAL A 50 -4.706 8.613 -1.162 1.00 0.00 C ATOM 799 C VAL A 50 -3.369 8.745 -0.391 1.00 0.00 C ATOM 800 O VAL A 50 -2.689 9.774 -0.495 1.00 0.00 O ATOM 801 CB VAL A 50 -5.849 9.317 -0.332 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.221 9.212 -1.036 1.00 0.00 C ATOM 803 CG2 VAL A 50 -5.922 8.778 1.112 1.00 0.00 C ATOM 0 H VAL A 50 -5.610 6.740 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.632 9.117 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.591 10.375 -0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.979 9.709 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.166 9.690 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.487 8.162 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.721 9.288 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.124 7.707 1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.972 8.958 1.616 1.00 0.00 H new ATOM 813 N TYR A 51 -3.025 7.702 0.403 1.00 0.00 N ATOM 814 CA TYR A 51 -1.800 7.679 1.220 1.00 0.00 C ATOM 815 C TYR A 51 -0.564 7.650 0.303 1.00 0.00 C ATOM 816 O TYR A 51 0.324 8.479 0.430 1.00 0.00 O ATOM 817 CB TYR A 51 -1.808 6.459 2.174 1.00 0.00 C ATOM 818 CG TYR A 51 -0.574 6.378 3.077 1.00 0.00 C ATOM 819 CD1 TYR A 51 -0.479 7.178 4.219 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.501 5.536 2.773 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.640 7.138 5.020 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.614 5.494 3.579 1.00 0.00 C ATOM 823 CZ TYR A 51 1.678 6.293 4.695 1.00 0.00 C ATOM 824 OH TYR A 51 2.799 6.270 5.475 1.00 0.00 O ATOM 0 H TYR A 51 -3.591 6.858 0.491 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.761 8.582 1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.701 6.502 2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.875 5.546 1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.295 7.837 4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.456 4.911 1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.703 7.765 5.897 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.435 4.836 3.336 1.00 0.00 H new ATOM 0 HH TYR A 51 2.880 5.393 5.905 1.00 0.00 H new ATOM 834 N ILE A 52 -0.542 6.668 -0.611 1.00 0.00 N ATOM 835 CA ILE A 52 0.478 6.541 -1.669 1.00 0.00 C ATOM 836 C ILE A 52 0.464 7.805 -2.583 1.00 0.00 C ATOM 837 O ILE A 52 1.519 8.263 -3.023 1.00 0.00 O ATOM 838 CB ILE A 52 0.274 5.193 -2.511 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.674 3.901 -1.689 1.00 0.00 C ATOM 840 CG2 ILE A 52 1.046 5.210 -3.856 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.200 3.536 -0.498 1.00 0.00 C ATOM 0 H ILE A 52 -1.242 5.927 -0.638 1.00 0.00 H new ATOM 0 HA ILE A 52 1.460 6.476 -1.201 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.793 5.149 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.682 3.054 -2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.695 4.031 -1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.873 4.274 -4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.696 6.043 -4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.112 5.326 -3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.186 2.632 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.192 4.353 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.221 3.361 -0.836 1.00 0.00 H new ATOM 853 N ARG A 53 -0.742 8.384 -2.809 1.00 0.00 N ATOM 854 CA ARG A 53 -0.924 9.620 -3.618 1.00 0.00 C ATOM 855 C ARG A 53 -0.194 10.832 -3.004 1.00 0.00 C ATOM 856 O ARG A 53 0.250 11.730 -3.728 1.00 0.00 O ATOM 857 CB ARG A 53 -2.436 9.943 -3.799 1.00 0.00 C ATOM 858 CG ARG A 53 -2.746 11.217 -4.617 1.00 0.00 C ATOM 859 CD ARG A 53 -4.222 11.634 -4.568 1.00 0.00 C ATOM 860 NE ARG A 53 -4.441 12.905 -5.289 1.00 0.00 N ATOM 861 CZ ARG A 53 -5.334 13.858 -4.963 1.00 0.00 C ATOM 862 NH1 ARG A 53 -6.141 13.719 -3.922 1.00 0.00 N ATOM 863 NH2 ARG A 53 -5.401 14.961 -5.685 1.00 0.00 N ATOM 0 H ARG A 53 -1.615 8.010 -2.437 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.480 9.427 -4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.916 9.094 -4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.889 10.045 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.133 12.037 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.458 11.051 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.839 10.851 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.538 11.742 -3.530 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.861 13.076 -6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.093 12.877 -3.349 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.810 14.454 -3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.779 15.086 -6.483 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.075 15.688 -5.444 1.00 0.00 H new ATOM 877 N ASP A 54 -0.081 10.865 -1.668 1.00 0.00 N ATOM 878 CA ASP A 54 0.546 12.000 -0.964 1.00 0.00 C ATOM 879 C ASP A 54 2.018 11.698 -0.614 1.00 0.00 C ATOM 880 O ASP A 54 2.917 12.470 -0.960 1.00 0.00 O ATOM 881 CB ASP A 54 -0.268 12.371 0.303 1.00 0.00 C ATOM 882 CG ASP A 54 0.213 13.682 0.964 1.00 0.00 C ATOM 883 OD1 ASP A 54 0.460 14.674 0.234 1.00 0.00 O ATOM 884 OD2 ASP A 54 0.326 13.744 2.206 1.00 0.00 O ATOM 0 H ASP A 54 -0.414 10.123 -1.053 1.00 0.00 H new ATOM 0 HA ASP A 54 0.541 12.859 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.320 12.469 0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.196 11.558 1.026 1.00 0.00 H new ATOM 889 N GLU A 55 2.235 10.561 0.065 1.00 0.00 N ATOM 890 CA GLU A 55 3.563 10.108 0.533 1.00 0.00 C ATOM 891 C GLU A 55 4.500 9.755 -0.638 1.00 0.00 C ATOM 892 O GLU A 55 5.553 10.378 -0.799 1.00 0.00 O ATOM 893 CB GLU A 55 3.391 8.898 1.486 1.00 0.00 C ATOM 894 CG GLU A 55 2.620 9.205 2.777 1.00 0.00 C ATOM 895 CD GLU A 55 3.441 10.015 3.792 1.00 0.00 C ATOM 896 OE1 GLU A 55 3.436 11.264 3.729 1.00 0.00 O ATOM 897 OE2 GLU A 55 4.099 9.400 4.665 1.00 0.00 O ATOM 0 H GLU A 55 1.483 9.917 0.311 1.00 0.00 H new ATOM 0 HA GLU A 55 4.032 10.931 1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.874 8.101 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.378 8.517 1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.713 9.757 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.307 8.268 3.237 1.00 0.00 H new ATOM 904 N MET A 56 4.115 8.751 -1.456 1.00 0.00 N ATOM 905 CA MET A 56 4.894 8.371 -2.664 1.00 0.00 C ATOM 906 C MET A 56 4.678 9.399 -3.799 1.00 0.00 C ATOM 907 O MET A 56 5.515 9.515 -4.705 1.00 0.00 O ATOM 908 CB MET A 56 4.516 6.949 -3.180 1.00 0.00 C ATOM 909 CG MET A 56 4.962 5.755 -2.325 1.00 0.00 C ATOM 910 SD MET A 56 3.827 5.372 -0.970 1.00 0.00 S ATOM 911 CE MET A 56 4.785 5.812 0.469 1.00 0.00 C ATOM 0 H MET A 56 3.276 8.190 -1.307 1.00 0.00 H new ATOM 0 HA MET A 56 5.944 8.361 -2.372 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.432 6.904 -3.285 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.938 6.828 -4.178 1.00 0.00 H new ATOM 0 HG2 MET A 56 5.061 4.878 -2.964 1.00 0.00 H new ATOM 0 HG3 MET A 56 5.950 5.962 -1.913 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.114 6.070 1.288 1.00 0.00 H new ATOM 0 HE2 MET A 56 5.408 4.968 0.763 1.00 0.00 H new ATOM 0 HE3 MET A 56 5.419 6.667 0.236 1.00 0.00 H new ATOM 921 N GLY A 57 3.549 10.135 -3.737 1.00 0.00 N ATOM 922 CA GLY A 57 3.162 11.087 -4.783 1.00 0.00 C ATOM 923 C GLY A 57 2.659 10.383 -6.037 1.00 0.00 C ATOM 924 O GLY A 57 2.941 10.811 -7.159 1.00 0.00 O ATOM 0 H GLY A 57 2.887 10.082 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.384 11.748 -4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.017 11.714 -5.037 1.00 0.00 H new ATOM 928 N VAL A 58 1.909 9.281 -5.835 1.00 0.00 N ATOM 929 CA VAL A 58 1.510 8.350 -6.914 1.00 0.00 C ATOM 930 C VAL A 58 0.034 7.931 -6.754 1.00 0.00 C ATOM 931 O VAL A 58 -0.351 7.400 -5.712 1.00 0.00 O ATOM 932 CB VAL A 58 2.398 7.048 -6.884 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.994 6.058 -8.001 1.00 0.00 C ATOM 934 CG2 VAL A 58 3.910 7.379 -6.945 1.00 0.00 C ATOM 0 H VAL A 58 1.561 9.009 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 58 1.648 8.871 -7.861 1.00 0.00 H new ATOM 0 HB VAL A 58 2.212 6.559 -5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.628 5.173 -7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.952 5.767 -7.870 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.117 6.536 -8.973 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.486 6.454 -6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.127 7.919 -7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.182 7.997 -6.089 1.00 0.00 H new ATOM 944 N SER A 59 -0.779 8.143 -7.794 1.00 0.00 N ATOM 945 CA SER A 59 -2.193 7.714 -7.787 1.00 0.00 C ATOM 946 C SER A 59 -2.330 6.276 -8.339 1.00 0.00 C ATOM 947 O SER A 59 -1.787 5.956 -9.404 1.00 0.00 O ATOM 948 CB SER A 59 -3.049 8.702 -8.606 1.00 0.00 C ATOM 949 OG SER A 59 -2.966 10.009 -8.070 1.00 0.00 O ATOM 0 H SER A 59 -0.488 8.608 -8.654 1.00 0.00 H new ATOM 0 HA SER A 59 -2.554 7.713 -6.759 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.712 8.708 -9.643 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.088 8.372 -8.610 1.00 0.00 H new ATOM 0 HG SER A 59 -3.515 10.618 -8.606 1.00 0.00 H new ATOM 955 N ILE A 60 -3.035 5.410 -7.581 1.00 0.00 N ATOM 956 CA ILE A 60 -3.377 4.042 -8.010 1.00 0.00 C ATOM 957 C ILE A 60 -4.808 4.053 -8.609 1.00 0.00 C ATOM 958 O ILE A 60 -5.758 4.384 -7.886 1.00 0.00 O ATOM 959 CB ILE A 60 -3.326 3.014 -6.807 1.00 0.00 C ATOM 960 CG1 ILE A 60 -1.959 3.112 -6.043 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.593 1.562 -7.307 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.846 2.233 -4.797 1.00 0.00 C ATOM 0 H ILE A 60 -3.383 5.643 -6.651 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.644 3.723 -8.751 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.117 3.274 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.157 2.845 -6.731 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.797 4.150 -5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.553 0.873 -6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.579 1.512 -7.770 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.834 1.284 -8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.866 2.372 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.621 2.512 -4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.971 1.187 -5.077 1.00 0.00 H new ATOM 974 N PRO A 61 -4.988 3.725 -9.929 1.00 0.00 N ATOM 975 CA PRO A 61 -6.341 3.604 -10.533 1.00 0.00 C ATOM 976 C PRO A 61 -7.102 2.346 -10.044 1.00 0.00 C ATOM 977 O PRO A 61 -6.493 1.371 -9.576 1.00 0.00 O ATOM 978 CB PRO A 61 -6.041 3.527 -12.051 1.00 0.00 C ATOM 979 CG PRO A 61 -4.665 2.937 -12.134 1.00 0.00 C ATOM 980 CD PRO A 61 -3.915 3.490 -10.936 1.00 0.00 C ATOM 0 HA PRO A 61 -6.992 4.434 -10.259 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.771 2.905 -12.569 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.078 4.513 -12.513 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.702 1.848 -12.105 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.174 3.215 -13.067 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.169 2.785 -10.570 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.388 4.412 -11.183 1.00 0.00 H new ATOM 988 N SER A 62 -8.437 2.383 -10.216 1.00 0.00 N ATOM 989 CA SER A 62 -9.352 1.285 -9.842 1.00 0.00 C ATOM 990 C SER A 62 -9.154 0.053 -10.756 1.00 0.00 C ATOM 991 O SER A 62 -9.473 -1.078 -10.370 1.00 0.00 O ATOM 992 CB SER A 62 -10.817 1.794 -9.870 1.00 0.00 C ATOM 993 OG SER A 62 -11.111 2.464 -11.084 1.00 0.00 O ATOM 0 H SER A 62 -8.917 3.185 -10.623 1.00 0.00 H new ATOM 0 HA SER A 62 -9.120 0.962 -8.827 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.498 0.952 -9.743 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.985 2.469 -9.031 1.00 0.00 H new ATOM 0 HG SER A 62 -12.042 2.771 -11.071 1.00 0.00 H new ATOM 999 N THR A 63 -8.584 0.288 -11.959 1.00 0.00 N ATOM 1000 CA THR A 63 -8.236 -0.777 -12.916 1.00 0.00 C ATOM 1001 C THR A 63 -6.921 -1.509 -12.502 1.00 0.00 C ATOM 1002 O THR A 63 -6.505 -2.474 -13.151 1.00 0.00 O ATOM 1003 CB THR A 63 -8.115 -0.191 -14.374 1.00 0.00 C ATOM 1004 OG1 THR A 63 -8.058 -1.251 -15.344 1.00 0.00 O ATOM 1005 CG2 THR A 63 -6.881 0.716 -14.550 1.00 0.00 C ATOM 0 H THR A 63 -8.353 1.225 -12.291 1.00 0.00 H new ATOM 0 HA THR A 63 -9.040 -1.513 -12.904 1.00 0.00 H new ATOM 0 HB THR A 63 -9.006 0.417 -14.533 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.585 -2.019 -14.962 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.848 1.091 -15.573 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.945 1.555 -13.857 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.976 0.144 -14.344 1.00 0.00 H new ATOM 1013 N HIS A 64 -6.258 -1.033 -11.423 1.00 0.00 N ATOM 1014 CA HIS A 64 -5.032 -1.660 -10.869 1.00 0.00 C ATOM 1015 C HIS A 64 -5.231 -2.099 -9.406 1.00 0.00 C ATOM 1016 O HIS A 64 -4.264 -2.507 -8.753 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.801 -0.709 -11.029 1.00 0.00 C ATOM 1018 CG HIS A 64 -3.018 -0.919 -12.308 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -3.604 -1.257 -13.515 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.684 -0.923 -12.533 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -2.660 -1.437 -14.423 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -1.491 -1.244 -13.848 1.00 0.00 N ATOM 0 H HIS A 64 -6.557 -0.203 -10.911 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.828 -2.564 -11.444 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.147 0.324 -10.993 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.133 -0.851 -10.179 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.913 -0.711 -11.807 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.820 -1.698 -15.459 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.585 -1.322 -14.310 1.00 0.00 H new ATOM 1031 N ILE A 65 -6.485 -2.030 -8.906 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.844 -2.588 -7.586 1.00 0.00 C ATOM 1033 C ILE A 65 -7.048 -4.107 -7.761 1.00 0.00 C ATOM 1034 O ILE A 65 -8.156 -4.575 -8.060 1.00 0.00 O ATOM 1035 CB ILE A 65 -8.133 -1.907 -6.962 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -7.969 -0.350 -6.891 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -8.459 -2.495 -5.559 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.812 0.152 -6.048 1.00 0.00 C ATOM 0 H ILE A 65 -7.264 -1.593 -9.398 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.038 -2.384 -6.882 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.974 -2.128 -7.619 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.848 0.031 -7.905 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.892 0.077 -6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.348 -2.008 -5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.641 -3.566 -5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.617 -2.324 -4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.792 1.242 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.936 -0.189 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.875 -0.236 -6.448 1.00 0.00 H new ATOM 1050 N THR A 66 -5.940 -4.859 -7.627 1.00 0.00 N ATOM 1051 CA THR A 66 -5.911 -6.305 -7.894 1.00 0.00 C ATOM 1052 C THR A 66 -4.798 -6.990 -7.062 1.00 0.00 C ATOM 1053 O THR A 66 -3.744 -6.397 -6.789 1.00 0.00 O ATOM 1054 CB THR A 66 -5.749 -6.594 -9.424 1.00 0.00 C ATOM 1055 OG1 THR A 66 -5.719 -8.009 -9.669 1.00 0.00 O ATOM 1056 CG2 THR A 66 -4.500 -5.926 -10.014 1.00 0.00 C ATOM 0 H THR A 66 -5.041 -4.479 -7.331 1.00 0.00 H new ATOM 0 HA THR A 66 -6.866 -6.730 -7.586 1.00 0.00 H new ATOM 0 HB THR A 66 -6.615 -6.161 -9.924 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.619 -8.173 -10.630 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.432 -6.156 -11.077 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.567 -4.846 -9.880 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.612 -6.300 -9.504 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.064 -8.259 -6.688 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.302 -8.985 -5.663 1.00 0.00 C ATOM 1066 C GLY A 67 -2.855 -9.307 -6.028 1.00 0.00 C ATOM 1067 O GLY A 67 -2.051 -9.581 -5.137 1.00 0.00 O ATOM 0 H GLY A 67 -5.821 -8.809 -7.095 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.305 -8.395 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.820 -9.919 -5.443 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.532 -9.280 -7.332 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.150 -9.473 -7.829 1.00 0.00 C ATOM 1073 C LYS A 68 -0.227 -8.308 -7.380 1.00 0.00 C ATOM 1074 O LYS A 68 0.953 -8.519 -7.067 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.160 -9.615 -9.379 1.00 0.00 C ATOM 1076 CG LYS A 68 -1.820 -8.434 -10.129 1.00 0.00 C ATOM 1077 CD LYS A 68 -1.968 -8.637 -11.665 1.00 0.00 C ATOM 1078 CE LYS A 68 -0.643 -8.551 -12.462 1.00 0.00 C ATOM 1079 NZ LYS A 68 0.273 -9.700 -12.229 1.00 0.00 N ATOM 0 H LYS A 68 -3.216 -9.125 -8.073 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.749 -10.390 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.133 -9.721 -9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.683 -10.534 -9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.808 -8.258 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.231 -7.534 -9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.422 -9.611 -11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.658 -7.887 -12.052 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.873 -8.491 -13.526 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.128 -7.628 -12.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.717 -9.977 -13.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.010 -9.424 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.267 -10.503 -11.848 1.00 0.00 H new ATOM 1093 N TYR A 69 -0.797 -7.086 -7.334 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.076 -5.852 -6.957 1.00 0.00 C ATOM 1095 C TYR A 69 -0.189 -5.581 -5.448 1.00 0.00 C ATOM 1096 O TYR A 69 0.701 -4.985 -4.849 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.646 -4.649 -7.754 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.454 -4.721 -9.280 1.00 0.00 C ATOM 1099 CD1 TYR A 69 0.700 -5.275 -9.848 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -1.417 -4.199 -10.150 1.00 0.00 C ATOM 1101 CE1 TYR A 69 0.877 -5.309 -11.220 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -1.246 -4.241 -11.517 1.00 0.00 C ATOM 1103 CZ TYR A 69 -0.101 -4.788 -12.049 1.00 0.00 C ATOM 1104 OH TYR A 69 0.069 -4.812 -13.418 1.00 0.00 O ATOM 0 H TYR A 69 -1.779 -6.927 -7.559 1.00 0.00 H new ATOM 0 HA TYR A 69 0.979 -5.985 -7.199 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.712 -4.566 -7.542 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.176 -3.736 -7.388 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.465 -5.683 -9.204 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.313 -3.754 -9.742 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.773 -5.740 -11.641 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.010 -3.845 -12.170 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.711 -4.408 -13.852 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.301 -6.013 -4.841 1.00 0.00 N ATOM 1115 CA PHE A 70 -1.602 -5.747 -3.417 1.00 0.00 C ATOM 1116 C PHE A 70 -1.223 -6.931 -2.513 1.00 0.00 C ATOM 1117 O PHE A 70 -1.575 -6.952 -1.328 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.096 -5.350 -3.276 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.389 -3.924 -3.760 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.550 -3.641 -5.115 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.463 -2.864 -2.858 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -3.776 -2.349 -5.547 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.695 -1.574 -3.292 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.848 -1.318 -4.636 1.00 0.00 C ATOM 0 H PHE A 70 -2.021 -6.557 -5.317 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.987 -4.914 -3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.707 -6.052 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.393 -5.441 -2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.497 -4.443 -5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.337 -3.055 -1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.897 -2.146 -6.601 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.756 -0.766 -2.578 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.025 -0.308 -4.976 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.463 -7.879 -3.085 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.082 -9.156 -2.443 1.00 0.00 C ATOM 1136 C LYS A 71 0.745 -8.920 -1.172 1.00 0.00 C ATOM 1137 O LYS A 71 0.414 -9.417 -0.092 1.00 0.00 O ATOM 1138 CB LYS A 71 0.720 -9.987 -3.477 1.00 0.00 C ATOM 1139 CG LYS A 71 1.073 -11.425 -3.055 1.00 0.00 C ATOM 1140 CD LYS A 71 1.875 -12.183 -4.144 1.00 0.00 C ATOM 1141 CE LYS A 71 1.097 -12.315 -5.468 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.899 -12.953 -6.535 1.00 0.00 N ATOM 0 H LYS A 71 -0.086 -7.781 -4.028 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.978 -9.696 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.146 -10.031 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.646 -9.457 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.654 -11.397 -2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.156 -11.972 -2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.814 -11.660 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.131 -13.177 -3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.193 -12.900 -5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.779 -11.326 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.331 -13.018 -7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.749 -12.382 -6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.181 -13.907 -6.233 1.00 0.00 H new ATOM 1156 N ASP A 72 1.801 -8.128 -1.333 1.00 0.00 N ATOM 1157 CA ASP A 72 2.717 -7.731 -0.260 1.00 0.00 C ATOM 1158 C ASP A 72 3.300 -6.362 -0.605 1.00 0.00 C ATOM 1159 O ASP A 72 3.082 -5.863 -1.710 1.00 0.00 O ATOM 1160 CB ASP A 72 3.828 -8.792 -0.038 1.00 0.00 C ATOM 1161 CG ASP A 72 4.795 -8.930 -1.228 1.00 0.00 C ATOM 1162 OD1 ASP A 72 4.368 -9.396 -2.311 1.00 0.00 O ATOM 1163 OD2 ASP A 72 5.978 -8.563 -1.091 1.00 0.00 O ATOM 0 H ASP A 72 2.053 -7.732 -2.238 1.00 0.00 H new ATOM 0 HA ASP A 72 2.171 -7.664 0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.397 -8.529 0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.362 -9.758 0.155 1.00 0.00 H new ATOM 1168 N LEU A 73 4.048 -5.765 0.332 1.00 0.00 N ATOM 1169 CA LEU A 73 4.570 -4.395 0.187 1.00 0.00 C ATOM 1170 C LEU A 73 5.576 -4.255 -0.945 1.00 0.00 C ATOM 1171 O LEU A 73 5.699 -3.168 -1.519 1.00 0.00 O ATOM 1172 CB LEU A 73 5.220 -3.924 1.489 1.00 0.00 C ATOM 1173 CG LEU A 73 4.261 -3.605 2.654 1.00 0.00 C ATOM 1174 CD1 LEU A 73 5.075 -3.205 3.883 1.00 0.00 C ATOM 1175 CD2 LEU A 73 3.246 -2.509 2.244 1.00 0.00 C ATOM 0 H LEU A 73 4.309 -6.214 1.210 1.00 0.00 H new ATOM 0 HA LEU A 73 3.709 -3.772 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.918 -4.693 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.807 -3.031 1.275 1.00 0.00 H new ATOM 0 HG LEU A 73 3.680 -4.492 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.400 -2.979 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.733 -4.026 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.674 -2.324 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.579 -2.299 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.782 -1.600 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.661 -2.855 1.392 1.00 0.00 H new ATOM 1187 N ASN A 74 6.318 -5.326 -1.241 1.00 0.00 N ATOM 1188 CA ASN A 74 7.273 -5.307 -2.353 1.00 0.00 C ATOM 1189 C ASN A 74 6.510 -5.194 -3.686 1.00 0.00 C ATOM 1190 O ASN A 74 6.923 -4.466 -4.598 1.00 0.00 O ATOM 1191 CB ASN A 74 8.163 -6.563 -2.357 1.00 0.00 C ATOM 1192 CG ASN A 74 9.052 -6.669 -1.119 1.00 0.00 C ATOM 1193 OD1 ASN A 74 10.184 -6.183 -1.103 1.00 0.00 O ATOM 1194 ND2 ASN A 74 8.547 -7.307 -0.074 1.00 0.00 N ATOM 0 H ASN A 74 6.277 -6.209 -0.732 1.00 0.00 H new ATOM 0 HA ASN A 74 7.924 -4.442 -2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.531 -7.449 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.790 -6.554 -3.248 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.099 -7.408 0.778 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.606 -7.698 -0.121 1.00 0.00 H new ATOM 1201 N ALA A 75 5.375 -5.915 -3.753 1.00 0.00 N ATOM 1202 CA ALA A 75 4.453 -5.890 -4.897 1.00 0.00 C ATOM 1203 C ALA A 75 3.702 -4.540 -4.989 1.00 0.00 C ATOM 1204 O ALA A 75 3.373 -4.083 -6.095 1.00 0.00 O ATOM 1205 CB ALA A 75 3.476 -7.065 -4.794 1.00 0.00 C ATOM 0 H ALA A 75 5.072 -6.537 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 75 5.032 -5.993 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.793 -7.045 -5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.032 -8.002 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.907 -6.985 -3.868 1.00 0.00 H new ATOM 1211 N ILE A 76 3.420 -3.923 -3.816 1.00 0.00 N ATOM 1212 CA ILE A 76 2.825 -2.571 -3.733 1.00 0.00 C ATOM 1213 C ILE A 76 3.789 -1.555 -4.365 1.00 0.00 C ATOM 1214 O ILE A 76 3.448 -0.881 -5.330 1.00 0.00 O ATOM 1215 CB ILE A 76 2.517 -2.139 -2.236 1.00 0.00 C ATOM 1216 CG1 ILE A 76 1.434 -3.052 -1.572 1.00 0.00 C ATOM 1217 CG2 ILE A 76 2.095 -0.642 -2.147 1.00 0.00 C ATOM 1218 CD1 ILE A 76 0.029 -2.862 -2.103 1.00 0.00 C ATOM 0 H ILE A 76 3.598 -4.348 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 76 1.878 -2.593 -4.272 1.00 0.00 H new ATOM 0 HB ILE A 76 3.446 -2.266 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.722 -4.094 -1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.430 -2.864 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.892 -0.382 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.900 -0.014 -2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.197 -0.481 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.651 -3.537 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.286 -1.832 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.011 -3.080 -3.171 1.00 0.00 H new ATOM 1230 N SER A 77 5.019 -1.518 -3.840 1.00 0.00 N ATOM 1231 CA SER A 77 6.009 -0.481 -4.172 1.00 0.00 C ATOM 1232 C SER A 77 6.453 -0.580 -5.638 1.00 0.00 C ATOM 1233 O SER A 77 6.673 0.452 -6.276 1.00 0.00 O ATOM 1234 CB SER A 77 7.226 -0.578 -3.228 1.00 0.00 C ATOM 1235 OG SER A 77 7.816 -1.868 -3.277 1.00 0.00 O ATOM 0 H SER A 77 5.359 -2.208 -3.170 1.00 0.00 H new ATOM 0 HA SER A 77 5.536 0.491 -4.034 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.965 0.173 -3.506 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.915 -0.357 -2.207 1.00 0.00 H new ATOM 0 HG SER A 77 7.278 -2.494 -2.749 1.00 0.00 H new ATOM 1241 N ARG A 78 6.545 -1.825 -6.169 1.00 0.00 N ATOM 1242 CA ARG A 78 6.994 -2.062 -7.554 1.00 0.00 C ATOM 1243 C ARG A 78 5.960 -1.520 -8.563 1.00 0.00 C ATOM 1244 O ARG A 78 6.337 -0.925 -9.587 1.00 0.00 O ATOM 1245 CB ARG A 78 7.291 -3.568 -7.823 1.00 0.00 C ATOM 1246 CG ARG A 78 6.047 -4.471 -7.947 1.00 0.00 C ATOM 1247 CD ARG A 78 6.387 -5.946 -8.182 1.00 0.00 C ATOM 1248 NE ARG A 78 7.093 -6.170 -9.462 1.00 0.00 N ATOM 1249 CZ ARG A 78 7.957 -7.172 -9.704 1.00 0.00 C ATOM 1250 NH1 ARG A 78 8.254 -8.058 -8.762 1.00 0.00 N ATOM 1251 NH2 ARG A 78 8.508 -7.292 -10.897 1.00 0.00 N ATOM 0 H ARG A 78 6.313 -2.675 -5.656 1.00 0.00 H new ATOM 0 HA ARG A 78 7.930 -1.519 -7.688 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.872 -3.649 -8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.917 -3.948 -7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.452 -4.383 -7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.428 -4.113 -8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.007 -6.307 -7.361 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.469 -6.533 -8.170 1.00 0.00 H new ATOM 0 HE ARG A 78 6.910 -5.513 -10.221 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.825 -7.985 -7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.911 -8.812 -8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.279 -6.625 -11.634 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.163 -8.051 -11.082 1.00 0.00 H new ATOM 1265 N THR A 79 4.644 -1.709 -8.257 1.00 0.00 N ATOM 1266 CA THR A 79 3.568 -1.219 -9.124 1.00 0.00 C ATOM 1267 C THR A 79 3.420 0.299 -8.949 1.00 0.00 C ATOM 1268 O THR A 79 3.035 0.966 -9.881 1.00 0.00 O ATOM 1269 CB THR A 79 2.186 -1.949 -8.894 1.00 0.00 C ATOM 1270 OG1 THR A 79 1.307 -1.697 -10.005 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.456 -1.515 -7.613 1.00 0.00 C ATOM 0 H THR A 79 4.320 -2.195 -7.421 1.00 0.00 H new ATOM 0 HA THR A 79 3.854 -1.451 -10.150 1.00 0.00 H new ATOM 0 HB THR A 79 2.429 -3.007 -8.797 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.631 -2.405 -10.054 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.516 -2.061 -7.527 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.082 -1.731 -6.747 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.251 -0.445 -7.655 1.00 0.00 H new ATOM 1279 N VAL A 80 3.755 0.820 -7.748 1.00 0.00 N ATOM 1280 CA VAL A 80 3.732 2.270 -7.436 1.00 0.00 C ATOM 1281 C VAL A 80 4.826 3.013 -8.235 1.00 0.00 C ATOM 1282 O VAL A 80 4.604 4.130 -8.699 1.00 0.00 O ATOM 1283 CB VAL A 80 3.895 2.504 -5.875 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.293 3.958 -5.516 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.602 2.086 -5.118 1.00 0.00 C ATOM 0 H VAL A 80 4.051 0.243 -6.961 1.00 0.00 H new ATOM 0 HA VAL A 80 2.767 2.678 -7.735 1.00 0.00 H new ATOM 0 HB VAL A 80 4.719 1.868 -5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.389 4.053 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.245 4.201 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.525 4.644 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.735 2.255 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.762 2.680 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.401 1.030 -5.296 1.00 0.00 H new ATOM 1295 N GLU A 81 5.996 2.371 -8.401 1.00 0.00 N ATOM 1296 CA GLU A 81 7.099 2.899 -9.235 1.00 0.00 C ATOM 1297 C GLU A 81 6.660 2.999 -10.708 1.00 0.00 C ATOM 1298 O GLU A 81 6.968 3.977 -11.404 1.00 0.00 O ATOM 1299 CB GLU A 81 8.335 1.981 -9.100 1.00 0.00 C ATOM 1300 CG GLU A 81 9.007 2.030 -7.716 1.00 0.00 C ATOM 1301 CD GLU A 81 10.077 0.941 -7.528 1.00 0.00 C ATOM 1302 OE1 GLU A 81 11.180 1.066 -8.113 1.00 0.00 O ATOM 1303 OE2 GLU A 81 9.818 -0.065 -6.828 1.00 0.00 O ATOM 0 H GLU A 81 6.207 1.474 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 81 7.359 3.900 -8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.036 0.954 -9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.067 2.262 -9.857 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.465 3.009 -7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.245 1.920 -6.944 1.00 0.00 H new ATOM 1310 N GLN A 82 5.919 1.977 -11.152 1.00 0.00 N ATOM 1311 CA GLN A 82 5.350 1.926 -12.507 1.00 0.00 C ATOM 1312 C GLN A 82 4.271 3.014 -12.660 1.00 0.00 C ATOM 1313 O GLN A 82 4.292 3.790 -13.610 1.00 0.00 O ATOM 1314 CB GLN A 82 4.776 0.511 -12.795 1.00 0.00 C ATOM 1315 CG GLN A 82 4.085 0.340 -14.169 1.00 0.00 C ATOM 1316 CD GLN A 82 4.971 0.724 -15.362 1.00 0.00 C ATOM 1317 OE1 GLN A 82 5.717 -0.097 -15.893 1.00 0.00 O ATOM 1318 NE2 GLN A 82 4.878 1.973 -15.807 1.00 0.00 N ATOM 0 H GLN A 82 5.696 1.161 -10.583 1.00 0.00 H new ATOM 0 HA GLN A 82 6.135 2.121 -13.238 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.588 -0.213 -12.723 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.058 0.263 -12.013 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.772 -0.698 -14.281 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.181 0.949 -14.189 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.251 2.633 -15.347 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.434 2.272 -16.608 1.00 0.00 H new ATOM 1327 N LEU A 83 3.384 3.090 -11.664 1.00 0.00 N ATOM 1328 CA LEU A 83 2.250 4.033 -11.624 1.00 0.00 C ATOM 1329 C LEU A 83 2.732 5.486 -11.465 1.00 0.00 C ATOM 1330 O LEU A 83 1.996 6.413 -11.782 1.00 0.00 O ATOM 1331 CB LEU A 83 1.281 3.639 -10.474 1.00 0.00 C ATOM 1332 CG LEU A 83 0.445 2.339 -10.699 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.379 1.961 -9.454 1.00 0.00 C ATOM 1334 CD2 LEU A 83 -0.437 2.459 -11.952 1.00 0.00 C ATOM 0 H LEU A 83 3.430 2.487 -10.843 1.00 0.00 H new ATOM 0 HA LEU A 83 1.717 3.973 -12.573 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.863 3.520 -9.560 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.591 4.466 -10.307 1.00 0.00 H new ATOM 0 HG LEU A 83 1.148 1.524 -10.867 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.945 1.051 -9.655 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.291 1.793 -8.611 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.068 2.771 -9.214 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.008 1.540 -12.084 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.122 3.298 -11.835 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.193 2.624 -12.826 1.00 0.00 H new ATOM 1346 N LYS A 84 3.965 5.666 -10.955 1.00 0.00 N ATOM 1347 CA LYS A 84 4.624 6.984 -10.855 1.00 0.00 C ATOM 1348 C LYS A 84 5.044 7.457 -12.252 1.00 0.00 C ATOM 1349 O LYS A 84 4.975 8.651 -12.564 1.00 0.00 O ATOM 1350 CB LYS A 84 5.849 6.894 -9.904 1.00 0.00 C ATOM 1351 CG LYS A 84 6.585 8.235 -9.631 1.00 0.00 C ATOM 1352 CD LYS A 84 7.468 8.190 -8.355 1.00 0.00 C ATOM 1353 CE LYS A 84 8.522 7.061 -8.367 1.00 0.00 C ATOM 1354 NZ LYS A 84 9.539 7.246 -9.434 1.00 0.00 N ATOM 0 H LYS A 84 4.535 4.899 -10.599 1.00 0.00 H new ATOM 0 HA LYS A 84 3.926 7.711 -10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.517 6.481 -8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.563 6.187 -10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.209 8.483 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.850 9.033 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.976 9.148 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.825 8.065 -7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.019 7.022 -7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.022 6.103 -8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.223 6.464 -9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.070 7.257 -10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.036 8.147 -9.287 1.00 0.00 H new ATOM 1368 N ALA A 85 5.455 6.485 -13.089 1.00 0.00 N ATOM 1369 CA ALA A 85 5.811 6.723 -14.497 1.00 0.00 C ATOM 1370 C ALA A 85 4.545 7.011 -15.326 1.00 0.00 C ATOM 1371 O ALA A 85 4.571 7.817 -16.262 1.00 0.00 O ATOM 1372 CB ALA A 85 6.582 5.513 -15.058 1.00 0.00 C ATOM 0 H ALA A 85 5.549 5.510 -12.804 1.00 0.00 H new ATOM 0 HA ALA A 85 6.459 7.597 -14.560 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.841 5.698 -16.100 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.493 5.362 -14.479 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.958 4.622 -14.992 1.00 0.00 H new ATOM 1378 N GLU A 86 3.436 6.350 -14.939 1.00 0.00 N ATOM 1379 CA GLU A 86 2.121 6.492 -15.596 1.00 0.00 C ATOM 1380 C GLU A 86 1.480 7.846 -15.235 1.00 0.00 C ATOM 1381 O GLU A 86 0.875 8.501 -16.088 1.00 0.00 O ATOM 1382 CB GLU A 86 1.198 5.309 -15.192 1.00 0.00 C ATOM 1383 CG GLU A 86 1.803 3.913 -15.481 1.00 0.00 C ATOM 1384 CD GLU A 86 2.005 3.599 -16.976 1.00 0.00 C ATOM 1385 OE1 GLU A 86 3.070 3.939 -17.544 1.00 0.00 O ATOM 1386 OE2 GLU A 86 1.102 2.986 -17.589 1.00 0.00 O ATOM 0 H GLU A 86 3.428 5.697 -14.155 1.00 0.00 H new ATOM 0 HA GLU A 86 2.259 6.468 -16.677 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.973 5.383 -14.128 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.252 5.401 -15.725 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.765 3.836 -14.974 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.153 3.153 -15.048 1.00 0.00 H new ATOM 1393 N SER A 87 1.633 8.260 -13.963 1.00 0.00 N ATOM 1394 CA SER A 87 1.192 9.583 -13.489 1.00 0.00 C ATOM 1395 C SER A 87 2.052 10.693 -14.140 1.00 0.00 C ATOM 1396 O SER A 87 1.553 11.784 -14.422 1.00 0.00 O ATOM 1397 CB SER A 87 1.266 9.670 -11.941 1.00 0.00 C ATOM 1398 OG SER A 87 0.390 8.740 -11.318 1.00 0.00 O ATOM 0 H SER A 87 2.065 7.687 -13.238 1.00 0.00 H new ATOM 0 HA SER A 87 0.152 9.727 -13.783 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.289 9.481 -11.615 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.011 10.680 -11.621 1.00 0.00 H new ATOM 0 HG SER A 87 0.767 7.838 -11.388 1.00 0.00 H new ATOM 1404 N ALA A 88 3.340 10.376 -14.409 1.00 0.00 N ATOM 1405 CA ALA A 88 4.289 11.309 -15.052 1.00 0.00 C ATOM 1406 C ALA A 88 3.918 11.567 -16.528 1.00 0.00 C ATOM 1407 O ALA A 88 4.272 12.610 -17.084 1.00 0.00 O ATOM 1408 CB ALA A 88 5.730 10.784 -14.939 1.00 0.00 C ATOM 0 H ALA A 88 3.748 9.468 -14.186 1.00 0.00 H new ATOM 0 HA ALA A 88 4.225 12.260 -14.523 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.412 11.486 -15.419 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.998 10.679 -13.888 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.803 9.814 -15.430 1.00 0.00 H new ATOM 1414 N LEU A 89 3.201 10.604 -17.155 1.00 0.00 N ATOM 1415 CA LEU A 89 2.657 10.751 -18.528 1.00 0.00 C ATOM 1416 C LEU A 89 1.572 11.851 -18.580 1.00 0.00 C ATOM 1417 O LEU A 89 1.359 12.481 -19.622 1.00 0.00 O ATOM 1418 CB LEU A 89 2.051 9.401 -19.019 1.00 0.00 C ATOM 1419 CG LEU A 89 3.039 8.202 -19.147 1.00 0.00 C ATOM 1420 CD1 LEU A 89 2.314 6.909 -19.579 1.00 0.00 C ATOM 1421 CD2 LEU A 89 4.220 8.535 -20.089 1.00 0.00 C ATOM 0 H LEU A 89 2.983 9.705 -16.725 1.00 0.00 H new ATOM 0 HA LEU A 89 3.479 11.039 -19.183 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.254 9.115 -18.333 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.589 9.568 -19.992 1.00 0.00 H new ATOM 0 HG LEU A 89 3.456 8.021 -18.156 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.036 6.096 -19.657 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.557 6.652 -18.839 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.837 7.065 -20.547 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.887 7.676 -20.153 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.838 8.773 -21.082 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.768 9.392 -19.697 1.00 0.00 H new ATOM 1433 N GLU A 90 0.893 12.051 -17.441 1.00 0.00 N ATOM 1434 CA GLU A 90 -0.237 12.979 -17.305 1.00 0.00 C ATOM 1435 C GLU A 90 0.255 14.311 -16.676 1.00 0.00 C ATOM 1436 CB GLU A 90 -1.327 12.294 -16.442 1.00 0.00 C ATOM 1437 CG GLU A 90 -1.739 10.894 -16.945 1.00 0.00 C ATOM 1438 CD GLU A 90 -2.779 10.203 -16.053 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -2.487 9.975 -14.859 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -3.891 9.880 -16.536 1.00 0.00 O ATOM 0 H GLU A 90 1.118 11.563 -16.574 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.666 13.221 -18.278 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.964 12.208 -15.418 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.209 12.933 -16.415 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.140 10.983 -17.955 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.852 10.264 -17.009 1.00 0.00 H new