USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 555 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 91 GLN : amide:sc= -1.96 K(o=-1.8,f=-4.4!) USER MOD Set 1.2: A 139 TYR OH : rot 80:sc= 0.121 USER MOD Set 2.1: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 149:sc= 0.469 (180deg=0.11) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0.0566 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 143:sc= -0.417 (180deg=-2.18!) USER MOD Single : A 111 THR OG1 : rot 100:sc= 1.22 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 127 LYS NZ :NH3+ -158:sc= -0.0186 (180deg=-0.586) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 ASN : amide:sc= -0.0178 X(o=-0.018,f=-0.33) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 80 177.770 16.264 -8.398 1.00 0.00 N ATOM 2 CA LYS A 80 176.474 16.865 -8.829 1.00 0.00 C ATOM 3 C LYS A 80 175.352 16.449 -7.872 1.00 0.00 C ATOM 4 O LYS A 80 174.403 17.176 -7.648 1.00 0.00 O ATOM 5 CB LYS A 80 176.223 16.303 -10.229 1.00 0.00 C ATOM 6 CG LYS A 80 177.227 16.910 -11.209 1.00 0.00 C ATOM 7 CD LYS A 80 176.976 16.348 -12.611 1.00 0.00 C ATOM 8 CE LYS A 80 177.981 16.956 -13.591 1.00 0.00 C ATOM 9 NZ LYS A 80 178.163 15.919 -14.646 1.00 0.00 N ATOM 0 HA LYS A 80 176.503 17.955 -8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 80 176.319 15.217 -10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 80 175.205 16.530 -10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 80 177.131 17.996 -11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 80 178.245 16.682 -10.891 1.00 0.00 H new ATOM 0 HD2 LYS A 80 177.072 15.262 -12.602 1.00 0.00 H new ATOM 0 HD3 LYS A 80 175.959 16.575 -12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 80 177.606 17.888 -14.014 1.00 0.00 H new ATOM 0 HE3 LYS A 80 178.925 17.187 -13.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 178.840 16.262 -15.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 178.527 15.045 -14.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 177.249 15.725 -15.103 1.00 0.00 H new ATOM 23 N ALA A 81 175.472 15.276 -7.308 1.00 0.00 N ATOM 24 CA ALA A 81 174.444 14.767 -6.354 1.00 0.00 C ATOM 25 C ALA A 81 174.942 14.918 -4.914 1.00 0.00 C ATOM 26 O ALA A 81 176.130 15.043 -4.677 1.00 0.00 O ATOM 27 CB ALA A 81 174.299 13.287 -6.703 1.00 0.00 C ATOM 0 H ALA A 81 176.252 14.639 -7.471 1.00 0.00 H new ATOM 0 HA ALA A 81 173.502 15.309 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 81 173.559 12.829 -6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 81 173.977 13.187 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 81 175.258 12.787 -6.572 1.00 0.00 H new ATOM 33 N LYS A 82 174.051 14.923 -3.953 1.00 0.00 N ATOM 34 CA LYS A 82 174.483 15.085 -2.536 1.00 0.00 C ATOM 35 C LYS A 82 174.293 13.789 -1.746 1.00 0.00 C ATOM 36 O LYS A 82 173.554 12.905 -2.133 1.00 0.00 O ATOM 37 CB LYS A 82 173.590 16.192 -1.974 1.00 0.00 C ATOM 38 CG LYS A 82 173.900 17.509 -2.690 1.00 0.00 C ATOM 39 CD LYS A 82 173.546 18.684 -1.777 1.00 0.00 C ATOM 40 CE LYS A 82 172.045 18.967 -1.868 1.00 0.00 C ATOM 41 NZ LYS A 82 171.852 20.249 -1.134 1.00 0.00 N ATOM 0 H LYS A 82 173.045 14.822 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 82 175.542 15.331 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 82 172.540 15.931 -2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 82 173.757 16.300 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 82 174.956 17.549 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 82 173.332 17.573 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 82 173.822 18.454 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 82 174.112 19.569 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 82 171.721 19.053 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 82 171.463 18.163 -1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 170.846 20.511 -1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 172.163 20.135 -0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 172.413 20.997 -1.589 1.00 0.00 H new ATOM 55 N THR A 83 174.976 13.689 -0.633 1.00 0.00 N ATOM 56 CA THR A 83 174.874 12.463 0.225 1.00 0.00 C ATOM 57 C THR A 83 173.396 12.143 0.497 1.00 0.00 C ATOM 58 O THR A 83 173.011 11.004 0.660 1.00 0.00 O ATOM 59 CB THR A 83 175.603 12.819 1.523 1.00 0.00 C ATOM 60 OG1 THR A 83 176.886 13.343 1.213 1.00 0.00 O ATOM 61 CG2 THR A 83 175.758 11.568 2.393 1.00 0.00 C ATOM 0 H THR A 83 175.605 14.409 -0.277 1.00 0.00 H new ATOM 0 HA THR A 83 175.310 11.583 -0.248 1.00 0.00 H new ATOM 0 HB THR A 83 175.024 13.564 2.069 1.00 0.00 H new ATOM 0 HG1 THR A 83 177.354 13.573 2.042 1.00 0.00 H new ATOM 0 HG21 THR A 83 176.278 11.828 3.315 1.00 0.00 H new ATOM 0 HG22 THR A 83 174.773 11.167 2.632 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.334 10.817 1.852 1.00 0.00 H new ATOM 69 N GLU A 84 172.576 13.162 0.536 1.00 0.00 N ATOM 70 CA GLU A 84 171.110 12.969 0.787 1.00 0.00 C ATOM 71 C GLU A 84 170.520 11.910 -0.154 1.00 0.00 C ATOM 72 O GLU A 84 169.671 11.130 0.233 1.00 0.00 O ATOM 73 CB GLU A 84 170.489 14.334 0.483 1.00 0.00 C ATOM 74 CG GLU A 84 170.900 15.337 1.563 1.00 0.00 C ATOM 75 CD GLU A 84 170.238 14.960 2.890 1.00 0.00 C ATOM 76 OE1 GLU A 84 169.021 14.929 2.933 1.00 0.00 O ATOM 77 OE2 GLU A 84 170.962 14.709 3.840 1.00 0.00 O ATOM 0 H GLU A 84 172.861 14.132 0.403 1.00 0.00 H new ATOM 0 HA GLU A 84 170.916 12.626 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 84 170.817 14.684 -0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 84 169.403 14.250 0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 84 171.984 15.343 1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 84 170.604 16.344 1.270 1.00 0.00 H new ATOM 84 N ASP A 85 170.969 11.881 -1.382 1.00 0.00 N ATOM 85 CA ASP A 85 170.441 10.873 -2.351 1.00 0.00 C ATOM 86 C ASP A 85 170.764 9.459 -1.859 1.00 0.00 C ATOM 87 O ASP A 85 169.918 8.586 -1.848 1.00 0.00 O ATOM 88 CB ASP A 85 171.165 11.161 -3.669 1.00 0.00 C ATOM 89 CG ASP A 85 170.472 10.411 -4.808 1.00 0.00 C ATOM 90 OD1 ASP A 85 170.543 9.193 -4.816 1.00 0.00 O ATOM 91 OD2 ASP A 85 169.884 11.067 -5.651 1.00 0.00 O ATOM 0 H ASP A 85 171.678 12.511 -1.756 1.00 0.00 H new ATOM 0 HA ASP A 85 169.359 10.936 -2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 85 171.163 12.232 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 85 172.208 10.852 -3.598 1.00 0.00 H new ATOM 96 N PHE A 86 171.987 9.237 -1.458 1.00 0.00 N ATOM 97 CA PHE A 86 172.392 7.885 -0.965 1.00 0.00 C ATOM 98 C PHE A 86 171.841 7.622 0.443 1.00 0.00 C ATOM 99 O PHE A 86 171.432 6.519 0.753 1.00 0.00 O ATOM 100 CB PHE A 86 173.925 7.913 -0.938 1.00 0.00 C ATOM 101 CG PHE A 86 174.470 7.207 -2.159 1.00 0.00 C ATOM 102 CD1 PHE A 86 174.081 5.890 -2.436 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.361 7.867 -3.015 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.582 5.235 -3.568 1.00 0.00 C ATOM 105 CE2 PHE A 86 175.860 7.213 -4.148 1.00 0.00 C ATOM 106 CZ PHE A 86 175.470 5.896 -4.424 1.00 0.00 C ATOM 0 H PHE A 86 172.729 9.937 -1.450 1.00 0.00 H new ATOM 0 HA PHE A 86 172.002 7.092 -1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.279 8.944 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.291 7.429 -0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.395 5.380 -1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 86 175.663 8.881 -2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 86 174.283 4.219 -3.780 1.00 0.00 H new ATOM 0 HE2 PHE A 86 176.545 7.723 -4.809 1.00 0.00 H new ATOM 0 HZ PHE A 86 175.855 5.391 -5.298 1.00 0.00 H new ATOM 116 N VAL A 87 171.855 8.611 1.303 1.00 0.00 N ATOM 117 CA VAL A 87 171.359 8.395 2.701 1.00 0.00 C ATOM 118 C VAL A 87 169.883 7.976 2.693 1.00 0.00 C ATOM 119 O VAL A 87 169.496 7.016 3.332 1.00 0.00 O ATOM 120 CB VAL A 87 171.528 9.754 3.398 1.00 0.00 C ATOM 121 CG1 VAL A 87 171.035 9.662 4.846 1.00 0.00 C ATOM 122 CG2 VAL A 87 173.007 10.154 3.394 1.00 0.00 C ATOM 0 H VAL A 87 172.186 9.554 1.100 1.00 0.00 H new ATOM 0 HA VAL A 87 171.906 7.601 3.210 1.00 0.00 H new ATOM 0 HB VAL A 87 170.944 10.502 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 87 171.158 10.629 5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 87 169.982 9.382 4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.615 8.909 5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 87 173.125 11.118 3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.589 9.401 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.361 10.228 2.366 1.00 0.00 H new ATOM 132 N LYS A 88 169.058 8.708 1.988 1.00 0.00 N ATOM 133 CA LYS A 88 167.596 8.383 1.945 1.00 0.00 C ATOM 134 C LYS A 88 167.353 6.976 1.394 1.00 0.00 C ATOM 135 O LYS A 88 166.434 6.293 1.796 1.00 0.00 O ATOM 136 CB LYS A 88 166.984 9.426 1.008 1.00 0.00 C ATOM 137 CG LYS A 88 166.904 10.775 1.725 1.00 0.00 C ATOM 138 CD LYS A 88 166.292 11.818 0.787 1.00 0.00 C ATOM 139 CE LYS A 88 166.214 13.167 1.504 1.00 0.00 C ATOM 140 NZ LYS A 88 165.726 14.124 0.471 1.00 0.00 N ATOM 0 H LYS A 88 169.334 9.521 1.437 1.00 0.00 H new ATOM 0 HA LYS A 88 167.156 8.405 2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.588 9.518 0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 88 165.989 9.109 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 88 166.300 10.683 2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 88 167.899 11.092 2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 88 166.895 11.909 -0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 88 165.297 11.502 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 88 165.534 13.123 2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 88 167.188 13.466 1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 165.646 15.074 0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 166.397 14.149 -0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 164.794 13.818 0.127 1.00 0.00 H new ATOM 154 N ALA A 89 168.158 6.556 0.460 1.00 0.00 N ATOM 155 CA ALA A 89 167.970 5.203 -0.152 1.00 0.00 C ATOM 156 C ALA A 89 168.104 4.080 0.884 1.00 0.00 C ATOM 157 O ALA A 89 167.209 3.268 1.034 1.00 0.00 O ATOM 158 CB ALA A 89 169.070 5.086 -1.205 1.00 0.00 C ATOM 0 H ALA A 89 168.943 7.091 0.089 1.00 0.00 H new ATOM 0 HA ALA A 89 166.971 5.101 -0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 89 168.999 4.117 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 89 168.953 5.880 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 89 170.044 5.177 -0.725 1.00 0.00 H new ATOM 164 N PHE A 90 169.211 4.005 1.579 1.00 0.00 N ATOM 165 CA PHE A 90 169.394 2.904 2.581 1.00 0.00 C ATOM 166 C PHE A 90 168.606 3.165 3.871 1.00 0.00 C ATOM 167 O PHE A 90 167.870 2.317 4.337 1.00 0.00 O ATOM 168 CB PHE A 90 170.896 2.879 2.871 1.00 0.00 C ATOM 169 CG PHE A 90 171.619 2.234 1.713 1.00 0.00 C ATOM 170 CD1 PHE A 90 171.633 0.840 1.588 1.00 0.00 C ATOM 171 CD2 PHE A 90 172.272 3.028 0.762 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.299 0.240 0.513 1.00 0.00 C ATOM 173 CE2 PHE A 90 172.937 2.428 -0.313 1.00 0.00 C ATOM 174 CZ PHE A 90 172.951 1.035 -0.437 1.00 0.00 C ATOM 0 H PHE A 90 169.994 4.654 1.499 1.00 0.00 H new ATOM 0 HA PHE A 90 169.024 1.955 2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 90 171.265 3.893 3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 90 171.091 2.326 3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 90 171.130 0.227 2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 90 172.262 4.104 0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 90 172.310 -0.836 0.417 1.00 0.00 H new ATOM 0 HE2 PHE A 90 173.439 3.041 -1.047 1.00 0.00 H new ATOM 0 HZ PHE A 90 173.465 0.572 -1.266 1.00 0.00 H new ATOM 184 N GLN A 91 168.804 4.304 4.483 1.00 0.00 N ATOM 185 CA GLN A 91 168.125 4.600 5.789 1.00 0.00 C ATOM 186 C GLN A 91 166.617 4.300 5.765 1.00 0.00 C ATOM 187 O GLN A 91 166.073 3.844 6.755 1.00 0.00 O ATOM 188 CB GLN A 91 168.363 6.091 6.032 1.00 0.00 C ATOM 189 CG GLN A 91 169.819 6.315 6.443 1.00 0.00 C ATOM 190 CD GLN A 91 169.931 7.611 7.247 1.00 0.00 C ATOM 191 OE1 GLN A 91 169.432 8.640 6.836 1.00 0.00 O ATOM 192 NE2 GLN A 91 170.565 7.605 8.387 1.00 0.00 N ATOM 0 H GLN A 91 169.409 5.048 4.136 1.00 0.00 H new ATOM 0 HA GLN A 91 168.530 3.967 6.578 1.00 0.00 H new ATOM 0 HB2 GLN A 91 168.138 6.658 5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 91 167.694 6.455 6.812 1.00 0.00 H new ATOM 0 HG2 GLN A 91 170.173 5.474 7.039 1.00 0.00 H new ATOM 0 HG3 GLN A 91 170.453 6.368 5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 91 170.984 6.742 8.733 1.00 0.00 H new ATOM 0 HE22 GLN A 91 170.642 8.463 8.933 1.00 0.00 H new ATOM 201 N VAL A 92 165.930 4.551 4.675 1.00 0.00 N ATOM 202 CA VAL A 92 164.455 4.269 4.655 1.00 0.00 C ATOM 203 C VAL A 92 164.204 2.774 4.922 1.00 0.00 C ATOM 204 O VAL A 92 163.258 2.409 5.595 1.00 0.00 O ATOM 205 CB VAL A 92 163.967 4.693 3.261 1.00 0.00 C ATOM 206 CG1 VAL A 92 162.505 4.275 3.056 1.00 0.00 C ATOM 207 CG2 VAL A 92 164.068 6.214 3.138 1.00 0.00 C ATOM 0 H VAL A 92 166.317 4.932 3.812 1.00 0.00 H new ATOM 0 HA VAL A 92 163.916 4.815 5.429 1.00 0.00 H new ATOM 0 HB VAL A 92 164.586 4.208 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 92 162.174 4.583 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 92 162.420 3.192 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 92 161.881 4.753 3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 92 163.723 6.523 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 92 163.448 6.683 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 92 165.105 6.522 3.273 1.00 0.00 H new ATOM 217 N PHE A 93 165.059 1.913 4.424 1.00 0.00 N ATOM 218 CA PHE A 93 164.883 0.449 4.676 1.00 0.00 C ATOM 219 C PHE A 93 165.076 0.177 6.171 1.00 0.00 C ATOM 220 O PHE A 93 164.341 -0.593 6.758 1.00 0.00 O ATOM 221 CB PHE A 93 165.975 -0.239 3.855 1.00 0.00 C ATOM 222 CG PHE A 93 165.491 -0.440 2.439 1.00 0.00 C ATOM 223 CD1 PHE A 93 165.124 0.665 1.661 1.00 0.00 C ATOM 224 CD2 PHE A 93 165.409 -1.731 1.904 1.00 0.00 C ATOM 225 CE1 PHE A 93 164.675 0.478 0.349 1.00 0.00 C ATOM 226 CE2 PHE A 93 164.961 -1.917 0.591 1.00 0.00 C ATOM 227 CZ PHE A 93 164.594 -0.813 -0.186 1.00 0.00 C ATOM 0 H PHE A 93 165.869 2.161 3.855 1.00 0.00 H new ATOM 0 HA PHE A 93 163.894 0.086 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 93 166.882 0.366 3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 93 166.231 -1.199 4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 93 165.187 1.661 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 93 165.691 -2.583 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 93 164.391 1.330 -0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 93 164.899 -2.913 0.178 1.00 0.00 H new ATOM 0 HZ PHE A 93 164.248 -0.957 -1.199 1.00 0.00 H new ATOM 237 N ASP A 94 166.064 0.781 6.785 1.00 0.00 N ATOM 238 CA ASP A 94 166.312 0.540 8.245 1.00 0.00 C ATOM 239 C ASP A 94 165.118 0.991 9.093 1.00 0.00 C ATOM 240 O ASP A 94 165.119 2.066 9.661 1.00 0.00 O ATOM 241 CB ASP A 94 167.550 1.373 8.587 1.00 0.00 C ATOM 242 CG ASP A 94 168.785 0.757 7.925 1.00 0.00 C ATOM 243 OD1 ASP A 94 168.822 -0.456 7.796 1.00 0.00 O ATOM 244 OD2 ASP A 94 169.674 1.509 7.560 1.00 0.00 O ATOM 0 H ASP A 94 166.711 1.431 6.340 1.00 0.00 H new ATOM 0 HA ASP A 94 166.456 -0.520 8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 94 167.416 2.399 8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 94 167.686 1.413 9.668 1.00 0.00 H new ATOM 249 N LYS A 95 164.102 0.169 9.183 1.00 0.00 N ATOM 250 CA LYS A 95 162.900 0.535 9.995 1.00 0.00 C ATOM 251 C LYS A 95 163.296 0.727 11.462 1.00 0.00 C ATOM 252 O LYS A 95 162.836 1.643 12.118 1.00 0.00 O ATOM 253 CB LYS A 95 161.939 -0.651 9.855 1.00 0.00 C ATOM 254 CG LYS A 95 161.588 -0.855 8.379 1.00 0.00 C ATOM 255 CD LYS A 95 160.295 -1.664 8.267 1.00 0.00 C ATOM 256 CE LYS A 95 160.004 -1.963 6.795 1.00 0.00 C ATOM 257 NZ LYS A 95 158.738 -2.748 6.804 1.00 0.00 N ATOM 0 H LYS A 95 164.053 -0.742 8.728 1.00 0.00 H new ATOM 0 HA LYS A 95 162.446 1.467 9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 95 162.398 -1.554 10.258 1.00 0.00 H new ATOM 0 HB3 LYS A 95 161.033 -0.468 10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 95 161.469 0.110 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 95 162.400 -1.375 7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 95 160.387 -2.595 8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 95 159.467 -1.108 8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 95 159.894 -1.044 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 95 160.816 -2.529 6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 158.473 -2.991 5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 158.875 -3.621 7.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 157.981 -2.181 7.237 1.00 0.00 H new ATOM 271 N GLU A 96 164.150 -0.123 11.979 1.00 0.00 N ATOM 272 CA GLU A 96 164.583 0.017 13.403 1.00 0.00 C ATOM 273 C GLU A 96 165.888 0.821 13.490 1.00 0.00 C ATOM 274 O GLU A 96 166.588 0.768 14.482 1.00 0.00 O ATOM 275 CB GLU A 96 164.801 -1.416 13.893 1.00 0.00 C ATOM 276 CG GLU A 96 163.452 -2.130 14.003 1.00 0.00 C ATOM 277 CD GLU A 96 162.647 -1.528 15.158 1.00 0.00 C ATOM 278 OE1 GLU A 96 163.257 -1.146 16.143 1.00 0.00 O ATOM 279 OE2 GLU A 96 161.435 -1.460 15.036 1.00 0.00 O ATOM 0 H GLU A 96 164.565 -0.907 11.476 1.00 0.00 H new ATOM 0 HA GLU A 96 163.846 0.548 14.006 1.00 0.00 H new ATOM 0 HB2 GLU A 96 165.453 -1.952 13.203 1.00 0.00 H new ATOM 0 HB3 GLU A 96 165.300 -1.408 14.862 1.00 0.00 H new ATOM 0 HG2 GLU A 96 162.899 -2.030 13.069 1.00 0.00 H new ATOM 0 HG3 GLU A 96 163.606 -3.196 14.170 1.00 0.00 H new ATOM 286 N SER A 97 166.195 1.589 12.469 1.00 0.00 N ATOM 287 CA SER A 97 167.427 2.448 12.448 1.00 0.00 C ATOM 288 C SER A 97 168.663 1.792 13.090 1.00 0.00 C ATOM 289 O SER A 97 169.454 2.465 13.727 1.00 0.00 O ATOM 290 CB SER A 97 167.034 3.718 13.205 1.00 0.00 C ATOM 291 OG SER A 97 166.879 4.786 12.279 1.00 0.00 O ATOM 0 H SER A 97 165.626 1.658 11.625 1.00 0.00 H new ATOM 0 HA SER A 97 167.732 2.635 11.418 1.00 0.00 H new ATOM 0 HB2 SER A 97 166.105 3.557 13.751 1.00 0.00 H new ATOM 0 HB3 SER A 97 167.798 3.968 13.942 1.00 0.00 H new ATOM 0 HG SER A 97 166.625 5.602 12.760 1.00 0.00 H new ATOM 297 N THR A 98 168.845 0.502 12.929 1.00 0.00 N ATOM 298 CA THR A 98 170.048 -0.151 13.540 1.00 0.00 C ATOM 299 C THR A 98 171.324 0.426 12.907 1.00 0.00 C ATOM 300 O THR A 98 172.339 0.569 13.562 1.00 0.00 O ATOM 301 CB THR A 98 169.908 -1.658 13.263 1.00 0.00 C ATOM 302 OG1 THR A 98 171.082 -2.323 13.705 1.00 0.00 O ATOM 303 CG2 THR A 98 169.706 -1.930 11.768 1.00 0.00 C ATOM 0 H THR A 98 168.224 -0.119 12.410 1.00 0.00 H new ATOM 0 HA THR A 98 170.116 0.030 14.613 1.00 0.00 H new ATOM 0 HB THR A 98 169.035 -2.028 13.800 1.00 0.00 H new ATOM 0 HG1 THR A 98 170.998 -3.284 13.533 1.00 0.00 H new ATOM 0 HG21 THR A 98 169.610 -3.003 11.603 1.00 0.00 H new ATOM 0 HG22 THR A 98 168.801 -1.428 11.426 1.00 0.00 H new ATOM 0 HG23 THR A 98 170.563 -1.552 11.210 1.00 0.00 H new ATOM 311 N GLY A 99 171.268 0.777 11.646 1.00 0.00 N ATOM 312 CA GLY A 99 172.461 1.370 10.967 1.00 0.00 C ATOM 313 C GLY A 99 173.357 0.280 10.360 1.00 0.00 C ATOM 314 O GLY A 99 174.474 0.552 9.957 1.00 0.00 O ATOM 0 H GLY A 99 170.443 0.678 11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.134 2.053 10.183 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.035 1.958 11.683 1.00 0.00 H new ATOM 318 N LYS A 100 172.888 -0.940 10.283 1.00 0.00 N ATOM 319 CA LYS A 100 173.721 -2.034 9.697 1.00 0.00 C ATOM 320 C LYS A 100 172.897 -2.819 8.672 1.00 0.00 C ATOM 321 O LYS A 100 171.686 -2.888 8.774 1.00 0.00 O ATOM 322 CB LYS A 100 174.084 -2.927 10.884 1.00 0.00 C ATOM 323 CG LYS A 100 175.154 -2.238 11.733 1.00 0.00 C ATOM 324 CD LYS A 100 174.483 -1.459 12.865 1.00 0.00 C ATOM 325 CE LYS A 100 174.394 -2.342 14.111 1.00 0.00 C ATOM 326 NZ LYS A 100 173.943 -1.428 15.198 1.00 0.00 N ATOM 0 H LYS A 100 171.962 -1.226 10.601 1.00 0.00 H new ATOM 0 HA LYS A 100 174.605 -1.658 9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.198 -3.126 11.487 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.451 -3.890 10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 100 175.840 -2.979 12.144 1.00 0.00 H new ATOM 0 HG3 LYS A 100 175.746 -1.564 11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 100 175.052 -0.556 13.086 1.00 0.00 H new ATOM 0 HD3 LYS A 100 173.486 -1.141 12.560 1.00 0.00 H new ATOM 0 HE2 LYS A 100 173.689 -3.161 13.965 1.00 0.00 H new ATOM 0 HE3 LYS A 100 175.359 -2.790 14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 173.374 -1.961 15.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 174.772 -1.021 15.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 173.367 -0.663 14.792 1.00 0.00 H new ATOM 340 N VAL A 101 173.532 -3.418 7.694 1.00 0.00 N ATOM 341 CA VAL A 101 172.763 -4.206 6.680 1.00 0.00 C ATOM 342 C VAL A 101 173.607 -5.373 6.156 1.00 0.00 C ATOM 343 O VAL A 101 174.819 -5.372 6.255 1.00 0.00 O ATOM 344 CB VAL A 101 172.427 -3.223 5.553 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.541 -2.102 6.098 1.00 0.00 C ATOM 346 CG2 VAL A 101 173.719 -2.621 4.988 1.00 0.00 C ATOM 0 H VAL A 101 174.542 -3.396 7.554 1.00 0.00 H new ATOM 0 HA VAL A 101 171.859 -4.640 7.107 1.00 0.00 H new ATOM 0 HB VAL A 101 171.899 -3.753 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.303 -1.404 5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 101 170.619 -2.527 6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 101 172.069 -1.575 6.893 1.00 0.00 H new ATOM 0 HG21 VAL A 101 173.475 -1.923 4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 101 174.251 -2.094 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 101 174.350 -3.418 4.595 1.00 0.00 H new ATOM 356 N SER A 102 172.964 -6.362 5.591 1.00 0.00 N ATOM 357 CA SER A 102 173.703 -7.540 5.041 1.00 0.00 C ATOM 358 C SER A 102 174.252 -7.213 3.651 1.00 0.00 C ATOM 359 O SER A 102 173.641 -6.489 2.891 1.00 0.00 O ATOM 360 CB SER A 102 172.654 -8.646 4.940 1.00 0.00 C ATOM 361 OG SER A 102 171.472 -8.122 4.348 1.00 0.00 O ATOM 0 H SER A 102 171.950 -6.405 5.486 1.00 0.00 H new ATOM 0 HA SER A 102 174.549 -7.826 5.666 1.00 0.00 H new ATOM 0 HB2 SER A 102 173.038 -9.473 4.342 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.433 -9.044 5.930 1.00 0.00 H new ATOM 0 HG SER A 102 170.798 -8.830 4.281 1.00 0.00 H new ATOM 367 N VAL A 103 175.401 -7.747 3.313 1.00 0.00 N ATOM 368 CA VAL A 103 175.997 -7.472 1.963 1.00 0.00 C ATOM 369 C VAL A 103 174.998 -7.818 0.849 1.00 0.00 C ATOM 370 O VAL A 103 174.897 -7.115 -0.139 1.00 0.00 O ATOM 371 CB VAL A 103 177.240 -8.373 1.880 1.00 0.00 C ATOM 372 CG1 VAL A 103 176.831 -9.844 2.011 1.00 0.00 C ATOM 373 CG2 VAL A 103 177.942 -8.159 0.535 1.00 0.00 C ATOM 0 H VAL A 103 175.953 -8.361 3.912 1.00 0.00 H new ATOM 0 HA VAL A 103 176.250 -6.419 1.836 1.00 0.00 H new ATOM 0 HB VAL A 103 177.919 -8.115 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 103 177.718 -10.475 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.338 -10.001 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 103 176.145 -10.104 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 103 178.823 -8.799 0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 103 177.259 -8.410 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 103 178.245 -7.116 0.445 1.00 0.00 H new ATOM 383 N GLY A 104 174.266 -8.895 0.997 1.00 0.00 N ATOM 384 CA GLY A 104 173.280 -9.286 -0.054 1.00 0.00 C ATOM 385 C GLY A 104 172.245 -8.173 -0.242 1.00 0.00 C ATOM 386 O GLY A 104 171.845 -7.866 -1.349 1.00 0.00 O ATOM 0 H GLY A 104 174.310 -9.520 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 104 173.796 -9.477 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 104 172.782 -10.213 0.230 1.00 0.00 H new ATOM 390 N ASP A 105 171.814 -7.568 0.836 1.00 0.00 N ATOM 391 CA ASP A 105 170.807 -6.468 0.737 1.00 0.00 C ATOM 392 C ASP A 105 171.480 -5.148 0.355 1.00 0.00 C ATOM 393 O ASP A 105 170.980 -4.401 -0.466 1.00 0.00 O ATOM 394 CB ASP A 105 170.186 -6.370 2.131 1.00 0.00 C ATOM 395 CG ASP A 105 168.966 -5.447 2.082 1.00 0.00 C ATOM 396 OD1 ASP A 105 169.158 -4.254 1.910 1.00 0.00 O ATOM 397 OD2 ASP A 105 167.863 -5.948 2.219 1.00 0.00 O ATOM 0 H ASP A 105 172.118 -7.790 1.784 1.00 0.00 H new ATOM 0 HA ASP A 105 170.060 -6.669 -0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 105 169.893 -7.360 2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.918 -5.985 2.841 1.00 0.00 H new ATOM 402 N LEU A 106 172.607 -4.850 0.955 1.00 0.00 N ATOM 403 CA LEU A 106 173.312 -3.568 0.642 1.00 0.00 C ATOM 404 C LEU A 106 173.676 -3.518 -0.846 1.00 0.00 C ATOM 405 O LEU A 106 173.403 -2.545 -1.523 1.00 0.00 O ATOM 406 CB LEU A 106 174.578 -3.585 1.506 1.00 0.00 C ATOM 407 CG LEU A 106 175.378 -2.300 1.280 1.00 0.00 C ATOM 408 CD1 LEU A 106 174.680 -1.133 1.981 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.786 -2.471 1.855 1.00 0.00 C ATOM 0 H LEU A 106 173.069 -5.439 1.648 1.00 0.00 H new ATOM 0 HA LEU A 106 172.693 -2.695 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.310 -3.677 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 106 175.188 -4.453 1.256 1.00 0.00 H new ATOM 0 HG LEU A 106 175.442 -2.095 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 106 175.250 -0.218 1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 106 173.676 -1.012 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 106 174.616 -1.337 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 106 177.358 -1.557 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 106 176.720 -2.676 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 106 177.284 -3.302 1.356 1.00 0.00 H new ATOM 421 N ARG A 107 174.292 -4.554 -1.354 1.00 0.00 N ATOM 422 CA ARG A 107 174.676 -4.561 -2.798 1.00 0.00 C ATOM 423 C ARG A 107 173.426 -4.502 -3.676 1.00 0.00 C ATOM 424 O ARG A 107 173.451 -3.953 -4.762 1.00 0.00 O ATOM 425 CB ARG A 107 175.446 -5.867 -3.017 1.00 0.00 C ATOM 426 CG ARG A 107 176.286 -5.767 -4.294 1.00 0.00 C ATOM 427 CD ARG A 107 176.895 -7.136 -4.613 1.00 0.00 C ATOM 428 NE ARG A 107 175.750 -7.981 -5.055 1.00 0.00 N ATOM 429 CZ ARG A 107 175.974 -9.104 -5.681 1.00 0.00 C ATOM 430 NH1 ARG A 107 176.509 -9.093 -6.871 1.00 0.00 N ATOM 431 NH2 ARG A 107 175.663 -10.239 -5.117 1.00 0.00 N ATOM 0 H ARG A 107 174.545 -5.394 -0.833 1.00 0.00 H new ATOM 0 HA ARG A 107 175.286 -3.698 -3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 107 176.091 -6.067 -2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.749 -6.702 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 107 175.666 -5.431 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 107 177.076 -5.027 -4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 107 177.651 -7.058 -5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 107 177.384 -7.563 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 107 174.793 -7.682 -4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 107 176.752 -8.206 -7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 107 176.684 -9.971 -7.360 1.00 0.00 H new ATOM 0 HH21 ARG A 107 175.245 -10.249 -4.187 1.00 0.00 H new ATOM 0 HH22 ARG A 107 175.838 -11.117 -5.606 1.00 0.00 H new ATOM 445 N TYR A 108 172.334 -5.069 -3.219 1.00 0.00 N ATOM 446 CA TYR A 108 171.088 -5.046 -4.043 1.00 0.00 C ATOM 447 C TYR A 108 170.549 -3.617 -4.156 1.00 0.00 C ATOM 448 O TYR A 108 170.210 -3.164 -5.234 1.00 0.00 O ATOM 449 CB TYR A 108 170.095 -5.956 -3.318 1.00 0.00 C ATOM 450 CG TYR A 108 168.949 -6.289 -4.244 1.00 0.00 C ATOM 451 CD1 TYR A 108 169.170 -7.089 -5.371 1.00 0.00 C ATOM 452 CD2 TYR A 108 167.666 -5.798 -3.975 1.00 0.00 C ATOM 453 CE1 TYR A 108 168.109 -7.399 -6.229 1.00 0.00 C ATOM 454 CE2 TYR A 108 166.603 -6.109 -4.834 1.00 0.00 C ATOM 455 CZ TYR A 108 166.825 -6.909 -5.961 1.00 0.00 C ATOM 456 OH TYR A 108 165.779 -7.215 -6.806 1.00 0.00 O ATOM 0 H TYR A 108 172.254 -5.542 -2.319 1.00 0.00 H new ATOM 0 HA TYR A 108 171.267 -5.391 -5.061 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.592 -6.870 -2.994 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.720 -5.462 -2.421 1.00 0.00 H new ATOM 0 HD1 TYR A 108 170.160 -7.467 -5.579 1.00 0.00 H new ATOM 0 HD2 TYR A 108 167.495 -5.180 -3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 108 168.281 -8.016 -7.098 1.00 0.00 H new ATOM 0 HE2 TYR A 108 165.613 -5.731 -4.626 1.00 0.00 H new ATOM 0 HH TYR A 108 164.957 -6.797 -6.474 1.00 0.00 H new ATOM 466 N MET A 109 170.455 -2.906 -3.055 1.00 0.00 N ATOM 467 CA MET A 109 169.922 -1.512 -3.117 1.00 0.00 C ATOM 468 C MET A 109 170.855 -0.627 -3.928 1.00 0.00 C ATOM 469 O MET A 109 170.407 0.189 -4.712 1.00 0.00 O ATOM 470 CB MET A 109 169.853 -1.033 -1.670 1.00 0.00 C ATOM 471 CG MET A 109 168.460 -1.324 -1.099 1.00 0.00 C ATOM 472 SD MET A 109 167.761 0.181 -0.366 1.00 0.00 S ATOM 473 CE MET A 109 167.878 1.229 -1.841 1.00 0.00 C ATOM 0 H MET A 109 170.723 -3.230 -2.126 1.00 0.00 H new ATOM 0 HA MET A 109 168.945 -1.473 -3.599 1.00 0.00 H new ATOM 0 HB2 MET A 109 170.614 -1.535 -1.073 1.00 0.00 H new ATOM 0 HB3 MET A 109 170.062 0.036 -1.619 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.804 -1.692 -1.888 1.00 0.00 H new ATOM 0 HG3 MET A 109 168.524 -2.109 -0.346 1.00 0.00 H new ATOM 0 HE1 MET A 109 167.010 1.886 -1.890 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.786 1.830 -1.789 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.909 0.601 -2.732 1.00 0.00 H new ATOM 483 N LEU A 110 172.150 -0.780 -3.770 1.00 0.00 N ATOM 484 CA LEU A 110 173.097 0.064 -4.566 1.00 0.00 C ATOM 485 C LEU A 110 172.778 -0.120 -6.050 1.00 0.00 C ATOM 486 O LEU A 110 172.678 0.829 -6.803 1.00 0.00 O ATOM 487 CB LEU A 110 174.492 -0.472 -4.234 1.00 0.00 C ATOM 488 CG LEU A 110 175.499 0.680 -4.213 1.00 0.00 C ATOM 489 CD1 LEU A 110 175.244 1.563 -2.990 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.918 0.114 -4.140 1.00 0.00 C ATOM 0 H LEU A 110 172.587 -1.445 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 110 173.025 1.127 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.478 -0.973 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.791 -1.215 -4.973 1.00 0.00 H new ATOM 0 HG LEU A 110 175.387 1.274 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 110 175.962 2.383 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 110 174.233 1.967 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 110 175.355 0.969 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.636 0.934 -4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 110 177.026 -0.480 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 110 177.104 -0.515 -5.010 1.00 0.00 H new ATOM 502 N THR A 111 172.577 -1.347 -6.452 1.00 0.00 N ATOM 503 CA THR A 111 172.224 -1.630 -7.878 1.00 0.00 C ATOM 504 C THR A 111 170.910 -0.922 -8.233 1.00 0.00 C ATOM 505 O THR A 111 170.690 -0.513 -9.358 1.00 0.00 O ATOM 506 CB THR A 111 172.054 -3.148 -7.956 1.00 0.00 C ATOM 507 OG1 THR A 111 173.203 -3.780 -7.411 1.00 0.00 O ATOM 508 CG2 THR A 111 171.882 -3.570 -9.417 1.00 0.00 C ATOM 0 H THR A 111 172.642 -2.170 -5.853 1.00 0.00 H new ATOM 0 HA THR A 111 172.984 -1.275 -8.574 1.00 0.00 H new ATOM 0 HB THR A 111 171.172 -3.445 -7.388 1.00 0.00 H new ATOM 0 HG1 THR A 111 173.015 -4.066 -6.493 1.00 0.00 H new ATOM 0 HG21 THR A 111 171.761 -4.652 -9.471 1.00 0.00 H new ATOM 0 HG22 THR A 111 171.000 -3.085 -9.834 1.00 0.00 H new ATOM 0 HG23 THR A 111 172.763 -3.274 -9.987 1.00 0.00 H new ATOM 516 N GLY A 112 170.057 -0.749 -7.260 1.00 0.00 N ATOM 517 CA GLY A 112 168.764 -0.039 -7.479 1.00 0.00 C ATOM 518 C GLY A 112 168.949 1.477 -7.291 1.00 0.00 C ATOM 519 O GLY A 112 168.083 2.262 -7.626 1.00 0.00 O ATOM 0 H GLY A 112 170.205 -1.076 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.393 -0.245 -8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 112 168.014 -0.410 -6.780 1.00 0.00 H new ATOM 523 N LEU A 113 170.053 1.885 -6.711 1.00 0.00 N ATOM 524 CA LEU A 113 170.301 3.334 -6.436 1.00 0.00 C ATOM 525 C LEU A 113 171.119 4.014 -7.548 1.00 0.00 C ATOM 526 O LEU A 113 171.538 5.147 -7.396 1.00 0.00 O ATOM 527 CB LEU A 113 171.115 3.327 -5.136 1.00 0.00 C ATOM 528 CG LEU A 113 170.623 4.428 -4.195 1.00 0.00 C ATOM 529 CD1 LEU A 113 171.417 4.361 -2.890 1.00 0.00 C ATOM 530 CD2 LEU A 113 170.830 5.799 -4.841 1.00 0.00 C ATOM 0 H LEU A 113 170.804 1.263 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 113 169.365 3.889 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 113 171.026 2.356 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 113 172.171 3.476 -5.360 1.00 0.00 H new ATOM 0 HG LEU A 113 169.561 4.284 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 113 171.072 5.143 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 113 171.269 3.387 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 113 172.477 4.505 -3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 113 170.477 6.577 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 113 171.890 5.949 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 113 170.270 5.849 -5.775 1.00 0.00 H new ATOM 542 N GLY A 114 171.379 3.345 -8.643 1.00 0.00 N ATOM 543 CA GLY A 114 172.202 3.974 -9.727 1.00 0.00 C ATOM 544 C GLY A 114 173.621 3.397 -9.663 1.00 0.00 C ATOM 545 O GLY A 114 174.590 4.051 -10.000 1.00 0.00 O ATOM 0 H GLY A 114 171.060 2.395 -8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 114 171.757 3.776 -10.702 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.228 5.056 -9.602 1.00 0.00 H new ATOM 549 N GLU A 115 173.729 2.162 -9.260 1.00 0.00 N ATOM 550 CA GLU A 115 175.063 1.495 -9.197 1.00 0.00 C ATOM 551 C GLU A 115 175.133 0.358 -10.215 1.00 0.00 C ATOM 552 O GLU A 115 174.368 -0.586 -10.144 1.00 0.00 O ATOM 553 CB GLU A 115 175.186 0.939 -7.782 1.00 0.00 C ATOM 554 CG GLU A 115 176.656 0.649 -7.477 1.00 0.00 C ATOM 555 CD GLU A 115 177.384 1.961 -7.181 1.00 0.00 C ATOM 556 OE1 GLU A 115 176.797 2.808 -6.528 1.00 0.00 O ATOM 557 OE2 GLU A 115 178.518 2.097 -7.612 1.00 0.00 O ATOM 0 H GLU A 115 172.944 1.580 -8.969 1.00 0.00 H new ATOM 0 HA GLU A 115 175.870 2.191 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.788 1.654 -7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 115 174.596 0.028 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 115 176.735 -0.024 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 115 177.122 0.145 -8.324 1.00 0.00 H new ATOM 564 N LYS A 116 176.054 0.420 -11.141 1.00 0.00 N ATOM 565 CA LYS A 116 176.179 -0.684 -12.133 1.00 0.00 C ATOM 566 C LYS A 116 177.586 -1.271 -12.060 1.00 0.00 C ATOM 567 O LYS A 116 178.322 -1.312 -13.027 1.00 0.00 O ATOM 568 CB LYS A 116 175.861 -0.088 -13.505 1.00 0.00 C ATOM 569 CG LYS A 116 174.371 0.250 -13.582 1.00 0.00 C ATOM 570 CD LYS A 116 174.053 0.846 -14.954 1.00 0.00 C ATOM 571 CE LYS A 116 172.563 1.185 -15.031 1.00 0.00 C ATOM 572 NZ LYS A 116 172.414 1.982 -16.280 1.00 0.00 N ATOM 0 H LYS A 116 176.721 1.184 -11.252 1.00 0.00 H new ATOM 0 HA LYS A 116 175.488 -1.503 -11.932 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.457 0.809 -13.670 1.00 0.00 H new ATOM 0 HB3 LYS A 116 176.125 -0.796 -14.291 1.00 0.00 H new ATOM 0 HG2 LYS A 116 173.775 -0.647 -13.417 1.00 0.00 H new ATOM 0 HG3 LYS A 116 174.107 0.958 -12.796 1.00 0.00 H new ATOM 0 HD2 LYS A 116 174.650 1.743 -15.120 1.00 0.00 H new ATOM 0 HD3 LYS A 116 174.317 0.138 -15.740 1.00 0.00 H new ATOM 0 HE2 LYS A 116 171.954 0.282 -15.064 1.00 0.00 H new ATOM 0 HE3 LYS A 116 172.242 1.754 -14.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 171.417 2.252 -16.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 173.000 2.839 -16.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 172.721 1.412 -17.094 1.00 0.00 H new ATOM 586 N LEU A 117 177.931 -1.763 -10.902 1.00 0.00 N ATOM 587 CA LEU A 117 179.253 -2.408 -10.690 1.00 0.00 C ATOM 588 C LEU A 117 179.098 -3.908 -10.950 1.00 0.00 C ATOM 589 O LEU A 117 178.046 -4.471 -10.708 1.00 0.00 O ATOM 590 CB LEU A 117 179.602 -2.137 -9.226 1.00 0.00 C ATOM 591 CG LEU A 117 179.705 -0.628 -8.995 1.00 0.00 C ATOM 592 CD1 LEU A 117 179.895 -0.351 -7.503 1.00 0.00 C ATOM 593 CD2 LEU A 117 180.905 -0.077 -9.770 1.00 0.00 C ATOM 0 H LEU A 117 177.335 -1.743 -10.075 1.00 0.00 H new ATOM 0 HA LEU A 117 180.034 -2.030 -11.350 1.00 0.00 H new ATOM 0 HB2 LEU A 117 178.839 -2.564 -8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.545 -2.620 -8.971 1.00 0.00 H new ATOM 0 HG LEU A 117 178.792 -0.144 -9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 117 179.968 0.724 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 117 179.044 -0.745 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.809 -0.834 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 117 180.981 0.998 -9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 117 181.817 -0.562 -9.422 1.00 0.00 H new ATOM 0 HD23 LEU A 117 180.773 -0.274 -10.834 1.00 0.00 H new ATOM 605 N THR A 118 180.124 -4.563 -11.424 1.00 0.00 N ATOM 606 CA THR A 118 180.019 -6.032 -11.678 1.00 0.00 C ATOM 607 C THR A 118 180.890 -6.795 -10.680 1.00 0.00 C ATOM 608 O THR A 118 181.941 -6.318 -10.302 1.00 0.00 O ATOM 609 CB THR A 118 180.535 -6.227 -13.105 1.00 0.00 C ATOM 610 OG1 THR A 118 181.713 -5.454 -13.290 1.00 0.00 O ATOM 611 CG2 THR A 118 179.466 -5.780 -14.102 1.00 0.00 C ATOM 0 H THR A 118 181.028 -4.147 -11.646 1.00 0.00 H new ATOM 0 HA THR A 118 179.001 -6.403 -11.563 1.00 0.00 H new ATOM 0 HB THR A 118 180.762 -7.280 -13.269 1.00 0.00 H new ATOM 0 HG1 THR A 118 182.046 -5.579 -14.203 1.00 0.00 H new ATOM 0 HG21 THR A 118 179.835 -5.919 -15.118 1.00 0.00 H new ATOM 0 HG22 THR A 118 178.564 -6.374 -13.959 1.00 0.00 H new ATOM 0 HG23 THR A 118 179.236 -4.727 -13.941 1.00 0.00 H new ATOM 619 N ASP A 119 180.456 -7.953 -10.213 1.00 0.00 N ATOM 620 CA ASP A 119 181.251 -8.739 -9.196 1.00 0.00 C ATOM 621 C ASP A 119 182.764 -8.715 -9.474 1.00 0.00 C ATOM 622 O ASP A 119 183.565 -8.789 -8.561 1.00 0.00 O ATOM 623 CB ASP A 119 180.724 -10.169 -9.315 1.00 0.00 C ATOM 624 CG ASP A 119 181.307 -11.024 -8.188 1.00 0.00 C ATOM 625 OD1 ASP A 119 181.272 -10.577 -7.053 1.00 0.00 O ATOM 626 OD2 ASP A 119 181.778 -12.111 -8.479 1.00 0.00 O ATOM 0 H ASP A 119 179.579 -8.390 -10.495 1.00 0.00 H new ATOM 0 HA ASP A 119 181.131 -8.312 -8.200 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.635 -10.172 -9.262 1.00 0.00 H new ATOM 0 HB3 ASP A 119 180.997 -10.589 -10.283 1.00 0.00 H new ATOM 631 N ALA A 120 183.158 -8.563 -10.714 1.00 0.00 N ATOM 632 CA ALA A 120 184.616 -8.477 -11.033 1.00 0.00 C ATOM 633 C ALA A 120 185.208 -7.250 -10.332 1.00 0.00 C ATOM 634 O ALA A 120 186.177 -7.346 -9.602 1.00 0.00 O ATOM 635 CB ALA A 120 184.685 -8.300 -12.552 1.00 0.00 C ATOM 0 H ALA A 120 182.534 -8.495 -11.518 1.00 0.00 H new ATOM 0 HA ALA A 120 185.172 -9.355 -10.704 1.00 0.00 H new ATOM 0 HB1 ALA A 120 185.727 -8.229 -12.863 1.00 0.00 H new ATOM 0 HB2 ALA A 120 184.218 -9.156 -13.040 1.00 0.00 H new ATOM 0 HB3 ALA A 120 184.159 -7.389 -12.836 1.00 0.00 H new ATOM 641 N GLU A 121 184.614 -6.100 -10.537 1.00 0.00 N ATOM 642 CA GLU A 121 185.113 -4.858 -9.873 1.00 0.00 C ATOM 643 C GLU A 121 184.686 -4.830 -8.398 1.00 0.00 C ATOM 644 O GLU A 121 185.456 -4.481 -7.526 1.00 0.00 O ATOM 645 CB GLU A 121 184.460 -3.711 -10.643 1.00 0.00 C ATOM 646 CG GLU A 121 185.069 -3.621 -12.044 1.00 0.00 C ATOM 647 CD GLU A 121 184.407 -2.481 -12.824 1.00 0.00 C ATOM 648 OE1 GLU A 121 183.997 -1.517 -12.199 1.00 0.00 O ATOM 649 OE2 GLU A 121 184.327 -2.591 -14.036 1.00 0.00 O ATOM 0 H GLU A 121 183.801 -5.969 -11.139 1.00 0.00 H new ATOM 0 HA GLU A 121 186.201 -4.793 -9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.384 -3.872 -10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.607 -2.772 -10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 121 186.143 -3.450 -11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 121 184.930 -4.564 -12.572 1.00 0.00 H new ATOM 656 N VAL A 122 183.458 -5.196 -8.124 1.00 0.00 N ATOM 657 CA VAL A 122 182.960 -5.196 -6.709 1.00 0.00 C ATOM 658 C VAL A 122 183.799 -6.148 -5.850 1.00 0.00 C ATOM 659 O VAL A 122 184.052 -5.876 -4.691 1.00 0.00 O ATOM 660 CB VAL A 122 181.501 -5.671 -6.773 1.00 0.00 C ATOM 661 CG1 VAL A 122 180.891 -5.654 -5.366 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.689 -4.739 -7.679 1.00 0.00 C ATOM 0 H VAL A 122 182.775 -5.496 -8.820 1.00 0.00 H new ATOM 0 HA VAL A 122 183.035 -4.207 -6.258 1.00 0.00 H new ATOM 0 HB VAL A 122 181.476 -6.684 -7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 122 179.856 -5.991 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.459 -6.318 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 122 180.924 -4.640 -4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.655 -5.082 -7.720 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.720 -3.725 -7.279 1.00 0.00 H new ATOM 0 HG23 VAL A 122 181.114 -4.746 -8.683 1.00 0.00 H new ATOM 672 N ASP A 123 184.240 -7.254 -6.401 1.00 0.00 N ATOM 673 CA ASP A 123 185.070 -8.201 -5.593 1.00 0.00 C ATOM 674 C ASP A 123 186.381 -7.510 -5.195 1.00 0.00 C ATOM 675 O ASP A 123 186.864 -7.671 -4.090 1.00 0.00 O ATOM 676 CB ASP A 123 185.327 -9.410 -6.497 1.00 0.00 C ATOM 677 CG ASP A 123 186.176 -10.441 -5.750 1.00 0.00 C ATOM 678 OD1 ASP A 123 187.342 -10.166 -5.523 1.00 0.00 O ATOM 679 OD2 ASP A 123 185.644 -11.487 -5.416 1.00 0.00 O ATOM 0 H ASP A 123 184.063 -7.539 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 123 184.576 -8.511 -4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.380 -9.856 -6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 123 185.838 -9.094 -7.407 1.00 0.00 H new ATOM 684 N GLU A 124 186.941 -6.728 -6.084 1.00 0.00 N ATOM 685 CA GLU A 124 188.209 -6.000 -5.759 1.00 0.00 C ATOM 686 C GLU A 124 187.982 -5.076 -4.557 1.00 0.00 C ATOM 687 O GLU A 124 188.756 -5.059 -3.619 1.00 0.00 O ATOM 688 CB GLU A 124 188.530 -5.173 -7.007 1.00 0.00 C ATOM 689 CG GLU A 124 188.901 -6.110 -8.159 1.00 0.00 C ATOM 690 CD GLU A 124 190.233 -6.796 -7.850 1.00 0.00 C ATOM 691 OE1 GLU A 124 191.080 -6.159 -7.245 1.00 0.00 O ATOM 692 OE2 GLU A 124 190.384 -7.949 -8.222 1.00 0.00 O ATOM 0 H GLU A 124 186.576 -6.561 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 124 189.021 -6.680 -5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 124 187.670 -4.563 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.353 -4.489 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 124 188.120 -6.857 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 124 188.977 -5.547 -9.089 1.00 0.00 H new ATOM 699 N LEU A 125 186.916 -4.316 -4.583 1.00 0.00 N ATOM 700 CA LEU A 125 186.612 -3.392 -3.447 1.00 0.00 C ATOM 701 C LEU A 125 186.423 -4.192 -2.156 1.00 0.00 C ATOM 702 O LEU A 125 187.004 -3.891 -1.131 1.00 0.00 O ATOM 703 CB LEU A 125 185.296 -2.713 -3.843 1.00 0.00 C ATOM 704 CG LEU A 125 185.580 -1.452 -4.669 1.00 0.00 C ATOM 705 CD1 LEU A 125 186.375 -1.811 -5.931 1.00 0.00 C ATOM 706 CD2 LEU A 125 184.253 -0.819 -5.081 1.00 0.00 C ATOM 0 H LEU A 125 186.240 -4.296 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 125 187.413 -2.675 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 125 184.681 -3.404 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 125 184.730 -2.452 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 125 186.163 -0.755 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 125 186.570 -0.907 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 125 187.321 -2.271 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 125 185.799 -2.511 -6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 125 184.445 0.079 -5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 125 183.681 -1.529 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 125 183.684 -0.554 -4.190 1.00 0.00 H new ATOM 718 N LEU A 126 185.606 -5.211 -2.213 1.00 0.00 N ATOM 719 CA LEU A 126 185.349 -6.058 -1.007 1.00 0.00 C ATOM 720 C LEU A 126 186.645 -6.701 -0.498 1.00 0.00 C ATOM 721 O LEU A 126 186.714 -7.169 0.622 1.00 0.00 O ATOM 722 CB LEU A 126 184.384 -7.146 -1.486 1.00 0.00 C ATOM 723 CG LEU A 126 182.971 -6.570 -1.582 1.00 0.00 C ATOM 724 CD1 LEU A 126 182.113 -7.469 -2.473 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.353 -6.501 -0.184 1.00 0.00 C ATOM 0 H LEU A 126 185.100 -5.497 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 126 184.945 -5.469 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.700 -7.525 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.398 -7.989 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 126 183.015 -5.569 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 126 181.106 -7.058 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.553 -7.520 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 126 182.068 -8.470 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.346 -6.090 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 126 182.309 -7.502 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 126 182.964 -5.861 0.453 1.00 0.00 H new ATOM 737 N LYS A 127 187.659 -6.760 -1.328 1.00 0.00 N ATOM 738 CA LYS A 127 188.941 -7.414 -0.913 1.00 0.00 C ATOM 739 C LYS A 127 189.509 -6.763 0.353 1.00 0.00 C ATOM 740 O LYS A 127 190.306 -7.355 1.057 1.00 0.00 O ATOM 741 CB LYS A 127 189.896 -7.180 -2.086 1.00 0.00 C ATOM 742 CG LYS A 127 191.147 -8.041 -1.905 1.00 0.00 C ATOM 743 CD LYS A 127 192.103 -7.808 -3.077 1.00 0.00 C ATOM 744 CE LYS A 127 193.152 -8.921 -3.110 1.00 0.00 C ATOM 745 NZ LYS A 127 193.903 -8.781 -1.831 1.00 0.00 N ATOM 0 H LYS A 127 187.654 -6.383 -2.276 1.00 0.00 H new ATOM 0 HA LYS A 127 188.797 -8.470 -0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 127 189.403 -7.429 -3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 127 190.171 -6.127 -2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 127 191.640 -7.792 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 127 190.871 -9.094 -1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 127 191.548 -7.789 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 127 192.590 -6.838 -2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 127 192.684 -9.902 -3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 127 193.813 -8.815 -3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 194.837 -9.228 -1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 194.023 -7.772 -1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 193.374 -9.245 -1.065 1.00 0.00 H new ATOM 759 N GLY A 128 189.109 -5.548 0.646 1.00 0.00 N ATOM 760 CA GLY A 128 189.627 -4.855 1.862 1.00 0.00 C ATOM 761 C GLY A 128 188.489 -4.596 2.859 1.00 0.00 C ATOM 762 O GLY A 128 188.734 -4.258 4.002 1.00 0.00 O ATOM 0 H GLY A 128 188.444 -5.008 0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.400 -5.463 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 128 190.093 -3.911 1.579 1.00 0.00 H new ATOM 766 N VAL A 129 187.249 -4.749 2.448 1.00 0.00 N ATOM 767 CA VAL A 129 186.112 -4.506 3.391 1.00 0.00 C ATOM 768 C VAL A 129 186.078 -5.599 4.462 1.00 0.00 C ATOM 769 O VAL A 129 186.193 -6.777 4.181 1.00 0.00 O ATOM 770 CB VAL A 129 184.844 -4.525 2.529 1.00 0.00 C ATOM 771 CG1 VAL A 129 183.616 -4.283 3.411 1.00 0.00 C ATOM 772 CG2 VAL A 129 184.931 -3.422 1.472 1.00 0.00 C ATOM 0 H VAL A 129 186.979 -5.030 1.505 1.00 0.00 H new ATOM 0 HA VAL A 129 186.208 -3.556 3.917 1.00 0.00 H new ATOM 0 HB VAL A 129 184.755 -5.496 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 129 182.717 -4.297 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 129 183.551 -5.066 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 129 183.705 -3.313 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 129 184.030 -3.434 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 129 185.022 -2.453 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 129 185.803 -3.592 0.840 1.00 0.00 H new ATOM 782 N GLU A 130 185.943 -5.191 5.696 1.00 0.00 N ATOM 783 CA GLU A 130 185.923 -6.159 6.831 1.00 0.00 C ATOM 784 C GLU A 130 184.500 -6.402 7.347 1.00 0.00 C ATOM 785 O GLU A 130 183.953 -5.612 8.093 1.00 0.00 O ATOM 786 CB GLU A 130 186.769 -5.492 7.916 1.00 0.00 C ATOM 787 CG GLU A 130 186.924 -6.444 9.105 1.00 0.00 C ATOM 788 CD GLU A 130 187.771 -5.776 10.189 1.00 0.00 C ATOM 789 OE1 GLU A 130 187.657 -4.570 10.344 1.00 0.00 O ATOM 790 OE2 GLU A 130 188.519 -6.479 10.847 1.00 0.00 O ATOM 0 H GLU A 130 185.844 -4.213 5.969 1.00 0.00 H new ATOM 0 HA GLU A 130 186.304 -7.135 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 130 187.749 -5.230 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 130 186.298 -4.564 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 130 185.944 -6.706 9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 130 187.395 -7.372 8.782 1.00 0.00 H new ATOM 797 N VAL A 131 183.923 -7.515 6.979 1.00 0.00 N ATOM 798 CA VAL A 131 182.557 -7.866 7.462 1.00 0.00 C ATOM 799 C VAL A 131 182.681 -8.560 8.825 1.00 0.00 C ATOM 800 O VAL A 131 183.737 -9.048 9.180 1.00 0.00 O ATOM 801 CB VAL A 131 181.990 -8.820 6.402 1.00 0.00 C ATOM 802 CG1 VAL A 131 182.870 -10.077 6.281 1.00 0.00 C ATOM 803 CG2 VAL A 131 180.571 -9.221 6.802 1.00 0.00 C ATOM 0 H VAL A 131 184.346 -8.204 6.357 1.00 0.00 H new ATOM 0 HA VAL A 131 181.909 -7.000 7.593 1.00 0.00 H new ATOM 0 HB VAL A 131 181.976 -8.315 5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 131 182.453 -10.742 5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 131 183.880 -9.787 5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 131 182.901 -10.593 7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 131 180.160 -9.899 6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 131 180.593 -9.720 7.771 1.00 0.00 H new ATOM 0 HG23 VAL A 131 179.946 -8.330 6.867 1.00 0.00 H new ATOM 813 N ASP A 132 181.624 -8.589 9.596 1.00 0.00 N ATOM 814 CA ASP A 132 181.696 -9.230 10.943 1.00 0.00 C ATOM 815 C ASP A 132 181.201 -10.679 10.899 1.00 0.00 C ATOM 816 O ASP A 132 180.870 -11.210 9.857 1.00 0.00 O ATOM 817 CB ASP A 132 180.780 -8.383 11.828 1.00 0.00 C ATOM 818 CG ASP A 132 181.414 -7.009 12.051 1.00 0.00 C ATOM 819 OD1 ASP A 132 182.628 -6.948 12.158 1.00 0.00 O ATOM 820 OD2 ASP A 132 180.674 -6.040 12.113 1.00 0.00 O ATOM 0 H ASP A 132 180.715 -8.197 9.351 1.00 0.00 H new ATOM 0 HA ASP A 132 182.720 -9.269 11.315 1.00 0.00 H new ATOM 0 HB2 ASP A 132 179.803 -8.272 11.358 1.00 0.00 H new ATOM 0 HB3 ASP A 132 180.619 -8.881 12.784 1.00 0.00 H new ATOM 825 N SER A 133 181.160 -11.317 12.042 1.00 0.00 N ATOM 826 CA SER A 133 180.701 -12.741 12.116 1.00 0.00 C ATOM 827 C SER A 133 179.183 -12.866 11.889 1.00 0.00 C ATOM 828 O SER A 133 178.651 -13.960 11.878 1.00 0.00 O ATOM 829 CB SER A 133 181.067 -13.201 13.526 1.00 0.00 C ATOM 830 OG SER A 133 182.424 -13.625 13.544 1.00 0.00 O ATOM 0 H SER A 133 181.428 -10.908 12.937 1.00 0.00 H new ATOM 0 HA SER A 133 181.170 -13.347 11.341 1.00 0.00 H new ATOM 0 HB2 SER A 133 180.919 -12.388 14.236 1.00 0.00 H new ATOM 0 HB3 SER A 133 180.415 -14.018 13.835 1.00 0.00 H new ATOM 0 HG SER A 133 182.663 -13.919 14.448 1.00 0.00 H new ATOM 836 N ASN A 134 178.482 -11.773 11.689 1.00 0.00 N ATOM 837 CA ASN A 134 177.012 -11.852 11.441 1.00 0.00 C ATOM 838 C ASN A 134 176.700 -11.548 9.966 1.00 0.00 C ATOM 839 O ASN A 134 175.598 -11.777 9.503 1.00 0.00 O ATOM 840 CB ASN A 134 176.393 -10.794 12.355 1.00 0.00 C ATOM 841 CG ASN A 134 174.989 -11.237 12.773 1.00 0.00 C ATOM 842 OD1 ASN A 134 174.337 -11.978 12.065 1.00 0.00 O ATOM 843 ND2 ASN A 134 174.493 -10.810 13.903 1.00 0.00 N ATOM 0 H ASN A 134 178.869 -10.829 11.688 1.00 0.00 H new ATOM 0 HA ASN A 134 176.614 -12.846 11.647 1.00 0.00 H new ATOM 0 HB2 ASN A 134 177.018 -10.650 13.237 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.344 -9.835 11.838 1.00 0.00 H new ATOM 0 HD21 ASN A 134 173.558 -11.099 14.191 1.00 0.00 H new ATOM 0 HD22 ASN A 134 175.040 -10.188 14.498 1.00 0.00 H new ATOM 850 N GLY A 135 177.659 -11.043 9.224 1.00 0.00 N ATOM 851 CA GLY A 135 177.415 -10.734 7.783 1.00 0.00 C ATOM 852 C GLY A 135 176.850 -9.318 7.642 1.00 0.00 C ATOM 853 O GLY A 135 176.129 -9.020 6.709 1.00 0.00 O ATOM 0 H GLY A 135 178.600 -10.832 9.557 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.345 -10.822 7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.717 -11.457 7.360 1.00 0.00 H new ATOM 857 N GLU A 136 177.162 -8.451 8.573 1.00 0.00 N ATOM 858 CA GLU A 136 176.632 -7.057 8.510 1.00 0.00 C ATOM 859 C GLU A 136 177.747 -6.053 8.212 1.00 0.00 C ATOM 860 O GLU A 136 178.848 -6.152 8.722 1.00 0.00 O ATOM 861 CB GLU A 136 176.034 -6.799 9.893 1.00 0.00 C ATOM 862 CG GLU A 136 174.768 -7.641 10.067 1.00 0.00 C ATOM 863 CD GLU A 136 174.164 -7.388 11.452 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.324 -6.288 11.958 1.00 0.00 O ATOM 865 OE2 GLU A 136 173.546 -8.297 11.982 1.00 0.00 O ATOM 0 H GLU A 136 177.761 -8.650 9.374 1.00 0.00 H new ATOM 0 HA GLU A 136 175.898 -6.942 7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.759 -7.050 10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.798 -5.741 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 136 174.043 -7.389 9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 136 175.005 -8.699 9.951 1.00 0.00 H new ATOM 872 N ILE A 137 177.451 -5.082 7.391 1.00 0.00 N ATOM 873 CA ILE A 137 178.459 -4.043 7.040 1.00 0.00 C ATOM 874 C ILE A 137 177.838 -2.652 7.202 1.00 0.00 C ATOM 875 O ILE A 137 176.675 -2.444 6.910 1.00 0.00 O ATOM 876 CB ILE A 137 178.834 -4.317 5.580 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.469 -5.708 5.475 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.841 -3.268 5.096 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.380 -6.773 5.309 1.00 0.00 C ATOM 0 H ILE A 137 176.542 -4.964 6.944 1.00 0.00 H new ATOM 0 HA ILE A 137 179.339 -4.076 7.683 1.00 0.00 H new ATOM 0 HB ILE A 137 177.937 -4.269 4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 137 180.153 -5.741 4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 137 180.058 -5.916 6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 137 180.104 -3.468 4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 137 179.398 -2.275 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.739 -3.314 5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 137 178.842 -7.757 5.235 1.00 0.00 H new ATOM 0 HD12 ILE A 137 177.713 -6.749 6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 137 177.809 -6.571 4.403 1.00 0.00 H new ATOM 891 N ASP A 138 178.608 -1.712 7.675 1.00 0.00 N ATOM 892 CA ASP A 138 178.069 -0.331 7.874 1.00 0.00 C ATOM 893 C ASP A 138 177.789 0.323 6.515 1.00 0.00 C ATOM 894 O ASP A 138 178.693 0.581 5.742 1.00 0.00 O ATOM 895 CB ASP A 138 179.171 0.427 8.616 1.00 0.00 C ATOM 896 CG ASP A 138 178.582 1.683 9.261 1.00 0.00 C ATOM 897 OD1 ASP A 138 178.309 2.625 8.536 1.00 0.00 O ATOM 898 OD2 ASP A 138 178.412 1.681 10.470 1.00 0.00 O ATOM 0 H ASP A 138 179.587 -1.837 7.933 1.00 0.00 H new ATOM 0 HA ASP A 138 177.132 -0.330 8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 138 179.616 -0.212 9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 138 179.968 0.700 7.924 1.00 0.00 H new ATOM 903 N TYR A 139 176.540 0.563 6.214 1.00 0.00 N ATOM 904 CA TYR A 139 176.174 1.170 4.893 1.00 0.00 C ATOM 905 C TYR A 139 176.767 2.580 4.731 1.00 0.00 C ATOM 906 O TYR A 139 177.091 2.999 3.635 1.00 0.00 O ATOM 907 CB TYR A 139 174.627 1.207 4.885 1.00 0.00 C ATOM 908 CG TYR A 139 174.098 2.318 5.775 1.00 0.00 C ATOM 909 CD1 TYR A 139 173.966 2.121 7.156 1.00 0.00 C ATOM 910 CD2 TYR A 139 173.745 3.550 5.208 1.00 0.00 C ATOM 911 CE1 TYR A 139 173.481 3.155 7.966 1.00 0.00 C ATOM 912 CE2 TYR A 139 173.261 4.582 6.020 1.00 0.00 C ATOM 913 CZ TYR A 139 173.130 4.385 7.400 1.00 0.00 C ATOM 914 OH TYR A 139 172.654 5.402 8.199 1.00 0.00 O ATOM 0 H TYR A 139 175.750 0.365 6.828 1.00 0.00 H new ATOM 0 HA TYR A 139 176.574 0.591 4.060 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.270 1.353 3.866 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.236 0.248 5.225 1.00 0.00 H new ATOM 0 HD1 TYR A 139 174.238 1.173 7.595 1.00 0.00 H new ATOM 0 HD2 TYR A 139 173.847 3.703 4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 139 173.378 3.003 9.030 1.00 0.00 H new ATOM 0 HE2 TYR A 139 172.988 5.531 5.582 1.00 0.00 H new ATOM 0 HH TYR A 139 173.405 5.848 8.643 1.00 0.00 H new ATOM 924 N LYS A 140 176.881 3.318 5.806 1.00 0.00 N ATOM 925 CA LYS A 140 177.420 4.709 5.701 1.00 0.00 C ATOM 926 C LYS A 140 178.915 4.687 5.368 1.00 0.00 C ATOM 927 O LYS A 140 179.419 5.546 4.670 1.00 0.00 O ATOM 928 CB LYS A 140 177.185 5.346 7.080 1.00 0.00 C ATOM 929 CG LYS A 140 176.130 6.451 6.971 1.00 0.00 C ATOM 930 CD LYS A 140 175.905 7.077 8.349 1.00 0.00 C ATOM 931 CE LYS A 140 174.851 8.182 8.242 1.00 0.00 C ATOM 932 NZ LYS A 140 174.641 8.649 9.640 1.00 0.00 N ATOM 0 H LYS A 140 176.626 3.020 6.748 1.00 0.00 H new ATOM 0 HA LYS A 140 176.930 5.271 4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 140 176.857 4.587 7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 140 178.118 5.759 7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 140 176.457 7.212 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 140 175.195 6.040 6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 140 175.578 6.315 9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 140 176.840 7.487 8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 140 175.194 8.994 7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 140 173.925 7.804 7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 173.930 9.408 9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 174.308 7.856 10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 175.538 9.010 10.024 1.00 0.00 H new ATOM 946 N LYS A 141 179.624 3.718 5.885 1.00 0.00 N ATOM 947 CA LYS A 141 181.093 3.637 5.630 1.00 0.00 C ATOM 948 C LYS A 141 181.391 3.263 4.174 1.00 0.00 C ATOM 949 O LYS A 141 182.282 3.815 3.555 1.00 0.00 O ATOM 950 CB LYS A 141 181.607 2.545 6.571 1.00 0.00 C ATOM 951 CG LYS A 141 181.526 3.035 8.017 1.00 0.00 C ATOM 952 CD LYS A 141 182.178 2.006 8.943 1.00 0.00 C ATOM 953 CE LYS A 141 182.061 2.476 10.394 1.00 0.00 C ATOM 954 NZ LYS A 141 183.250 1.902 11.081 1.00 0.00 N ATOM 0 H LYS A 141 179.247 2.976 6.475 1.00 0.00 H new ATOM 0 HA LYS A 141 181.576 4.598 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 141 181.015 1.638 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.636 2.289 6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 141 182.028 3.997 8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 141 180.485 3.188 8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 141 181.694 1.036 8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 141 183.227 1.874 8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 141 182.056 3.564 10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 141 181.135 2.126 10.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 183.240 2.181 12.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 183.225 0.865 11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 184.117 2.259 10.631 1.00 0.00 H new ATOM 968 N PHE A 142 180.681 2.299 3.639 1.00 0.00 N ATOM 969 CA PHE A 142 180.955 1.855 2.238 1.00 0.00 C ATOM 970 C PHE A 142 180.437 2.876 1.227 1.00 0.00 C ATOM 971 O PHE A 142 180.956 2.995 0.137 1.00 0.00 O ATOM 972 CB PHE A 142 180.235 0.516 2.081 1.00 0.00 C ATOM 973 CG PHE A 142 180.770 -0.209 0.869 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.143 -0.456 0.750 1.00 0.00 C ATOM 975 CD2 PHE A 142 179.892 -0.644 -0.130 1.00 0.00 C ATOM 976 CE1 PHE A 142 182.639 -1.135 -0.368 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.389 -1.327 -1.251 1.00 0.00 C ATOM 978 CZ PHE A 142 181.763 -1.571 -1.367 1.00 0.00 C ATOM 0 H PHE A 142 179.926 1.802 4.111 1.00 0.00 H new ATOM 0 HA PHE A 142 182.025 1.759 2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 142 180.379 -0.092 2.974 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.162 0.679 1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 142 182.820 -0.122 1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 142 178.833 -0.454 -0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 142 183.699 -1.323 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 142 179.713 -1.664 -2.023 1.00 0.00 H new ATOM 0 HZ PHE A 142 182.147 -2.097 -2.229 1.00 0.00 H new ATOM 988 N ILE A 143 179.422 3.617 1.583 1.00 0.00 N ATOM 989 CA ILE A 143 178.866 4.642 0.650 1.00 0.00 C ATOM 990 C ILE A 143 179.703 5.927 0.727 1.00 0.00 C ATOM 991 O ILE A 143 180.147 6.446 -0.281 1.00 0.00 O ATOM 992 CB ILE A 143 177.433 4.876 1.154 1.00 0.00 C ATOM 993 CG1 ILE A 143 176.598 3.597 0.953 1.00 0.00 C ATOM 994 CG2 ILE A 143 176.783 6.052 0.413 1.00 0.00 C ATOM 995 CD1 ILE A 143 176.387 3.311 -0.540 1.00 0.00 C ATOM 0 H ILE A 143 178.951 3.556 2.486 1.00 0.00 H new ATOM 0 HA ILE A 143 178.882 4.327 -0.393 1.00 0.00 H new ATOM 0 HB ILE A 143 177.470 5.120 2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 143 177.101 2.752 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 143 175.632 3.707 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 143 175.769 6.201 0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 143 177.368 6.956 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 143 176.750 5.836 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 143 175.795 2.403 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 143 175.862 4.148 -1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 143 177.354 3.178 -1.025 1.00 0.00 H new ATOM 1007 N GLU A 144 179.919 6.440 1.910 1.00 0.00 N ATOM 1008 CA GLU A 144 180.726 7.694 2.056 1.00 0.00 C ATOM 1009 C GLU A 144 182.168 7.470 1.590 1.00 0.00 C ATOM 1010 O GLU A 144 182.832 8.399 1.168 1.00 0.00 O ATOM 1011 CB GLU A 144 180.698 8.016 3.549 1.00 0.00 C ATOM 1012 CG GLU A 144 179.291 8.466 3.951 1.00 0.00 C ATOM 1013 CD GLU A 144 179.256 8.791 5.447 1.00 0.00 C ATOM 1014 OE1 GLU A 144 180.278 9.206 5.969 1.00 0.00 O ATOM 1015 OE2 GLU A 144 178.206 8.622 6.043 1.00 0.00 O ATOM 0 H GLU A 144 179.572 6.046 2.784 1.00 0.00 H new ATOM 0 HA GLU A 144 180.322 8.506 1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 144 180.989 7.138 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 144 181.420 8.800 3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 144 179.001 9.343 3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 144 178.570 7.681 3.723 1.00 0.00 H new ATOM 1022 N ASP A 145 182.659 6.256 1.650 1.00 0.00 N ATOM 1023 CA ASP A 145 184.060 6.004 1.193 1.00 0.00 C ATOM 1024 C ASP A 145 184.097 5.717 -0.317 1.00 0.00 C ATOM 1025 O ASP A 145 185.147 5.775 -0.929 1.00 0.00 O ATOM 1026 CB ASP A 145 184.569 4.816 2.011 1.00 0.00 C ATOM 1027 CG ASP A 145 186.049 4.580 1.701 1.00 0.00 C ATOM 1028 OD1 ASP A 145 186.342 4.164 0.592 1.00 0.00 O ATOM 1029 OD2 ASP A 145 186.863 4.819 2.577 1.00 0.00 O ATOM 0 H ASP A 145 182.156 5.437 1.992 1.00 0.00 H new ATOM 0 HA ASP A 145 184.696 6.875 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 145 184.436 5.010 3.075 1.00 0.00 H new ATOM 0 HB3 ASP A 145 183.990 3.923 1.775 1.00 0.00 H new ATOM 1034 N VAL A 146 182.966 5.462 -0.934 1.00 0.00 N ATOM 1035 CA VAL A 146 182.953 5.238 -2.412 1.00 0.00 C ATOM 1036 C VAL A 146 182.597 6.574 -3.082 1.00 0.00 C ATOM 1037 O VAL A 146 183.139 6.939 -4.108 1.00 0.00 O ATOM 1038 CB VAL A 146 181.883 4.160 -2.651 1.00 0.00 C ATOM 1039 CG1 VAL A 146 181.557 4.048 -4.147 1.00 0.00 C ATOM 1040 CG2 VAL A 146 182.415 2.813 -2.159 1.00 0.00 C ATOM 0 H VAL A 146 182.056 5.400 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 146 183.907 4.908 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 146 180.978 4.435 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 146 180.798 3.280 -4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 146 181.182 5.005 -4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 146 182.459 3.779 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 146 181.662 2.042 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 146 183.322 2.558 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 146 182.640 2.878 -1.094 1.00 0.00 H new ATOM 1050 N LEU A 147 181.702 7.307 -2.474 1.00 0.00 N ATOM 1051 CA LEU A 147 181.296 8.641 -3.014 1.00 0.00 C ATOM 1052 C LEU A 147 182.503 9.576 -3.162 1.00 0.00 C ATOM 1053 O LEU A 147 182.455 10.542 -3.900 1.00 0.00 O ATOM 1054 CB LEU A 147 180.315 9.210 -1.987 1.00 0.00 C ATOM 1055 CG LEU A 147 178.900 8.729 -2.313 1.00 0.00 C ATOM 1056 CD1 LEU A 147 177.954 9.124 -1.177 1.00 0.00 C ATOM 1057 CD2 LEU A 147 178.430 9.380 -3.617 1.00 0.00 C ATOM 0 H LEU A 147 181.227 7.035 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 147 180.854 8.546 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 147 180.597 8.891 -0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 147 180.352 10.299 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 147 178.900 7.645 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 147 176.945 8.782 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 147 178.289 8.664 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 147 177.953 10.208 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 147 177.422 9.039 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 147 178.429 10.464 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 147 179.105 9.101 -4.427 1.00 0.00 H new ATOM 1069 N ARG A 148 183.583 9.299 -2.473 1.00 0.00 N ATOM 1070 CA ARG A 148 184.793 10.176 -2.583 1.00 0.00 C ATOM 1071 C ARG A 148 185.265 10.249 -4.040 1.00 0.00 C ATOM 1072 O ARG A 148 185.429 9.239 -4.699 1.00 0.00 O ATOM 1073 CB ARG A 148 185.860 9.502 -1.717 1.00 0.00 C ATOM 1074 CG ARG A 148 185.670 9.915 -0.256 1.00 0.00 C ATOM 1075 CD ARG A 148 186.750 9.258 0.607 1.00 0.00 C ATOM 1076 NE ARG A 148 186.721 10.002 1.898 1.00 0.00 N ATOM 1077 CZ ARG A 148 187.243 9.469 2.969 1.00 0.00 C ATOM 1078 NH1 ARG A 148 186.621 8.501 3.584 1.00 0.00 N ATOM 1079 NH2 ARG A 148 188.386 9.904 3.424 1.00 0.00 N ATOM 0 H ARG A 148 183.680 8.505 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 148 184.587 11.196 -2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 148 185.789 8.418 -1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 148 186.855 9.787 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 148 185.726 11.000 -0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 148 184.681 9.616 0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 148 186.544 8.198 0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 148 187.729 9.328 0.134 1.00 0.00 H new ATOM 0 HE ARG A 148 186.294 10.927 1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 148 185.728 8.161 3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 148 187.028 8.084 4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 148 188.872 10.661 2.943 1.00 0.00 H new ATOM 0 HH22 ARG A 148 188.794 9.487 4.261 1.00 0.00 H new ATOM 1093 N GLN A 149 185.481 11.439 -4.542 1.00 0.00 N ATOM 1094 CA GLN A 149 185.940 11.590 -5.955 1.00 0.00 C ATOM 1095 C GLN A 149 187.381 12.105 -5.992 1.00 0.00 C ATOM 1096 O GLN A 149 187.751 12.838 -5.089 1.00 0.00 O ATOM 1097 CB GLN A 149 184.988 12.615 -6.573 1.00 0.00 C ATOM 1098 CG GLN A 149 183.598 11.993 -6.729 1.00 0.00 C ATOM 1099 CD GLN A 149 182.608 13.057 -7.209 1.00 0.00 C ATOM 1100 OE1 GLN A 149 182.998 14.058 -7.777 1.00 0.00 O ATOM 1101 NE2 GLN A 149 181.331 12.882 -7.004 1.00 0.00 N ATOM 1102 OXT GLN A 149 188.090 11.758 -6.922 1.00 0.00 O ATOM 0 H GLN A 149 185.359 12.314 -4.032 1.00 0.00 H new ATOM 0 HA GLN A 149 185.928 10.644 -6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 149 184.932 13.502 -5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 149 185.365 12.938 -7.544 1.00 0.00 H new ATOM 0 HG2 GLN A 149 183.635 11.169 -7.442 1.00 0.00 H new ATOM 0 HG3 GLN A 149 183.266 11.577 -5.778 1.00 0.00 H new ATOM 0 HE21 GLN A 149 181.001 12.043 -6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 149 180.663 13.585 -7.320 1.00 0.00 H new TER 1111 GLN A 149