USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 557 hydrogens (12 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 Single : A 90 MET CE :methyl 147:sc= 0 (180deg=-0.00661) USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= 0.349 (180deg=0.234) USER MOD Single : A 93 SER OG : rot 32:sc= -0.0147 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0436 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -154:sc= -0.276 (180deg=-1.72!) USER MOD Single : A 107 ASN : amide:sc= 0.284 K(o=0.28,f=-0.23) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -152:sc= 0.842 (180deg=0.265) USER MOD Single : A 120 MET CE :methyl 175:sc= -4.73! (180deg=-5.71!) USER MOD Single : A 122 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : A 124 THR OG1 : rot 110:sc= -0.0215 USER MOD Single : A 127 THR OG1 : rot -60:sc= 0.583 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -155:sc= -2.82 (180deg=-4.98!) USER MOD Single : A 138 LYS NZ :NH3+ 160:sc= 0.361 (180deg=-0.0596) USER MOD Single : A 142 LYS NZ :NH3+ -156:sc= 1.61 (180deg=0.654) USER MOD Single : A 143 ASN : amide:sc= -0.744 K(o=-0.74,f=-3.7!) USER MOD Single : A 144 ASN : amide:sc=-0.00489 X(o=-0.0049,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -116:sc= -4.3! (180deg=-8.34!) USER MOD Single : A 158 LYS NZ :NH3+ 140:sc= 2.05 (180deg=-0.164) USER MOD Single : A 162 STL O1 : rot 180:sc= -0.344 USER MOD Single : A 162 STL O2 : rot 180:sc= 0 USER MOD Single : A 162 STL O3 : rot 110:sc= -0.0268 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 10.451 5.189 -2.929 1.00 2.87 N ATOM 2 CA MET A 90 9.363 4.157 -2.904 1.00 2.20 C ATOM 3 C MET A 90 8.436 4.349 -1.686 1.00 1.76 C ATOM 4 O MET A 90 7.270 4.006 -1.733 1.00 2.23 O ATOM 5 CB MET A 90 10.086 2.798 -2.852 1.00 2.68 C ATOM 6 CG MET A 90 10.478 2.441 -1.410 1.00 3.11 C ATOM 7 SD MET A 90 11.056 0.725 -1.351 1.00 4.08 S ATOM 8 CE MET A 90 9.438 -0.063 -1.157 1.00 4.71 C ATOM 0 HA MET A 90 8.718 4.233 -3.780 1.00 2.20 H new ATOM 0 HB2 MET A 90 9.439 2.021 -3.260 1.00 2.68 H new ATOM 0 HB3 MET A 90 10.978 2.832 -3.478 1.00 2.68 H new ATOM 0 HG2 MET A 90 11.261 3.112 -1.057 1.00 3.11 H new ATOM 0 HG3 MET A 90 9.623 2.572 -0.746 1.00 3.11 H new ATOM 0 HE1 MET A 90 9.442 -1.031 -1.658 1.00 4.71 H new ATOM 0 HE2 MET A 90 9.227 -0.204 -0.097 1.00 4.71 H new ATOM 0 HE3 MET A 90 8.669 0.571 -1.599 1.00 4.71 H new ATOM 20 N GLY A 91 8.942 4.889 -0.600 1.00 1.61 N ATOM 21 CA GLY A 91 8.086 5.097 0.610 1.00 1.31 C ATOM 22 C GLY A 91 8.286 3.939 1.596 1.00 1.37 C ATOM 23 O GLY A 91 8.622 2.835 1.211 1.00 1.61 O ATOM 0 H GLY A 91 9.910 5.194 -0.501 1.00 1.61 H new ATOM 0 HA2 GLY A 91 8.342 6.042 1.089 1.00 1.31 H new ATOM 0 HA3 GLY A 91 7.038 5.161 0.318 1.00 1.31 H new ATOM 27 N LYS A 92 8.076 4.182 2.867 1.00 1.27 N ATOM 28 CA LYS A 92 8.249 3.100 3.881 1.00 1.47 C ATOM 29 C LYS A 92 6.881 2.731 4.474 1.00 1.40 C ATOM 30 O LYS A 92 6.337 1.680 4.196 1.00 1.56 O ATOM 31 CB LYS A 92 9.176 3.716 4.937 1.00 1.61 C ATOM 32 CG LYS A 92 9.372 2.740 6.101 1.00 1.94 C ATOM 33 CD LYS A 92 9.442 3.525 7.414 1.00 2.31 C ATOM 34 CE LYS A 92 10.870 4.037 7.632 1.00 2.59 C ATOM 35 NZ LYS A 92 10.808 5.502 7.352 1.00 3.20 N1+ ATOM 0 H LYS A 92 7.792 5.086 3.245 1.00 1.27 H new ATOM 0 HA LYS A 92 8.667 2.180 3.471 1.00 1.47 H new ATOM 0 HB2 LYS A 92 10.140 3.958 4.489 1.00 1.61 H new ATOM 0 HB3 LYS A 92 8.752 4.651 5.304 1.00 1.61 H new ATOM 0 HG2 LYS A 92 8.549 2.026 6.134 1.00 1.94 H new ATOM 0 HG3 LYS A 92 10.287 2.165 5.958 1.00 1.94 H new ATOM 0 HD2 LYS A 92 8.745 4.363 7.386 1.00 2.31 H new ATOM 0 HD3 LYS A 92 9.142 2.888 8.246 1.00 2.31 H new ATOM 0 HE2 LYS A 92 11.206 3.845 8.651 1.00 2.59 H new ATOM 0 HE3 LYS A 92 11.573 3.538 6.965 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 11.673 5.960 7.704 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 10.727 5.656 6.327 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 9.981 5.912 7.830 1.00 3.20 H new ATOM 49 N SER A 93 6.320 3.600 5.272 1.00 1.38 N ATOM 50 CA SER A 93 4.979 3.333 5.875 1.00 1.40 C ATOM 51 C SER A 93 4.196 4.646 5.948 1.00 1.20 C ATOM 52 O SER A 93 4.625 5.657 5.421 1.00 1.08 O ATOM 53 CB SER A 93 5.272 2.790 7.276 1.00 1.60 C ATOM 54 OG SER A 93 4.054 2.379 7.885 1.00 2.20 O ATOM 0 H SER A 93 6.737 4.493 5.535 1.00 1.38 H new ATOM 0 HA SER A 93 4.382 2.628 5.297 1.00 1.40 H new ATOM 0 HB2 SER A 93 5.963 1.950 7.216 1.00 1.60 H new ATOM 0 HB3 SER A 93 5.754 3.557 7.882 1.00 1.60 H new ATOM 0 HG SER A 93 3.438 2.052 7.196 1.00 2.20 H new ATOM 60 N GLU A 94 3.064 4.659 6.607 1.00 1.26 N ATOM 61 CA GLU A 94 2.289 5.935 6.712 1.00 1.17 C ATOM 62 C GLU A 94 3.061 6.963 7.559 1.00 1.12 C ATOM 63 O GLU A 94 2.732 8.135 7.569 1.00 1.09 O ATOM 64 CB GLU A 94 0.959 5.565 7.373 1.00 1.33 C ATOM 65 CG GLU A 94 -0.187 5.898 6.410 1.00 1.28 C ATOM 66 CD GLU A 94 -1.165 4.724 6.344 1.00 1.44 C ATOM 67 OE1 GLU A 94 -0.875 3.776 5.635 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.190 4.798 7.001 1.00 2.09 O ATOM 0 H GLU A 94 2.647 3.853 7.072 1.00 1.26 H new ATOM 0 HA GLU A 94 2.128 6.392 5.736 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.945 4.504 7.622 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.837 6.114 8.307 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.705 6.797 6.744 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.210 6.109 5.417 1.00 1.28 H new ATOM 75 N GLU A 95 4.103 6.538 8.241 1.00 1.19 N ATOM 76 CA GLU A 95 4.919 7.488 9.056 1.00 1.23 C ATOM 77 C GLU A 95 5.742 8.359 8.100 1.00 1.03 C ATOM 78 O GLU A 95 5.672 9.573 8.131 1.00 1.01 O ATOM 79 CB GLU A 95 5.819 6.589 9.921 1.00 1.45 C ATOM 80 CG GLU A 95 7.092 7.338 10.342 1.00 1.90 C ATOM 81 CD GLU A 95 8.292 6.785 9.565 1.00 2.12 C ATOM 82 OE1 GLU A 95 8.522 5.589 9.634 1.00 2.66 O ATOM 83 OE2 GLU A 95 8.958 7.566 8.907 1.00 2.49 O ATOM 0 H GLU A 95 4.421 5.569 8.265 1.00 1.19 H new ATOM 0 HA GLU A 95 4.327 8.158 9.680 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.273 6.264 10.807 1.00 1.45 H new ATOM 0 HB3 GLU A 95 6.087 5.691 9.364 1.00 1.45 H new ATOM 0 HG2 GLU A 95 6.980 8.405 10.148 1.00 1.90 H new ATOM 0 HG3 GLU A 95 7.256 7.225 11.414 1.00 1.90 H new ATOM 90 N GLU A 96 6.495 7.732 7.228 1.00 1.02 N ATOM 91 CA GLU A 96 7.306 8.498 6.235 1.00 0.94 C ATOM 92 C GLU A 96 6.370 9.149 5.204 1.00 0.79 C ATOM 93 O GLU A 96 6.607 10.251 4.744 1.00 0.82 O ATOM 94 CB GLU A 96 8.204 7.449 5.572 1.00 1.15 C ATOM 95 CG GLU A 96 9.324 8.143 4.795 1.00 1.62 C ATOM 96 CD GLU A 96 10.022 7.123 3.895 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.869 6.401 4.396 1.00 2.18 O ATOM 98 OE2 GLU A 96 9.694 7.076 2.723 1.00 2.78 O ATOM 0 H GLU A 96 6.582 6.718 7.163 1.00 1.02 H new ATOM 0 HA GLU A 96 7.891 9.298 6.688 1.00 0.94 H new ATOM 0 HB2 GLU A 96 8.629 6.790 6.329 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.615 6.825 4.900 1.00 1.15 H new ATOM 0 HG2 GLU A 96 8.916 8.956 4.194 1.00 1.62 H new ATOM 0 HG3 GLU A 96 10.041 8.586 5.486 1.00 1.62 H new ATOM 105 N LEU A 97 5.298 8.471 4.858 1.00 0.77 N ATOM 106 CA LEU A 97 4.313 9.029 3.874 1.00 0.71 C ATOM 107 C LEU A 97 3.779 10.380 4.374 1.00 0.67 C ATOM 108 O LEU A 97 3.771 11.358 3.653 1.00 0.75 O ATOM 109 CB LEU A 97 3.181 7.989 3.828 1.00 0.80 C ATOM 110 CG LEU A 97 3.320 7.065 2.605 1.00 0.77 C ATOM 111 CD1 LEU A 97 2.668 7.725 1.392 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.797 6.783 2.299 1.00 1.22 C ATOM 0 H LEU A 97 5.062 7.547 5.219 1.00 0.77 H new ATOM 0 HA LEU A 97 4.753 9.203 2.892 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.195 7.393 4.740 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.218 8.498 3.794 1.00 0.80 H new ATOM 0 HG LEU A 97 2.824 6.120 2.827 1.00 0.77 H new ATOM 0 HD11 LEU A 97 2.766 7.071 0.525 1.00 1.40 H new ATOM 0 HD12 LEU A 97 1.612 7.900 1.597 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.160 8.676 1.187 1.00 1.40 H new ATOM 0 HD21 LEU A 97 4.870 6.128 1.431 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.311 7.721 2.090 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.261 6.299 3.159 1.00 1.22 H new ATOM 124 N SER A 98 3.339 10.432 5.611 1.00 0.69 N ATOM 125 CA SER A 98 2.806 11.714 6.178 1.00 0.76 C ATOM 126 C SER A 98 3.939 12.734 6.361 1.00 0.72 C ATOM 127 O SER A 98 3.773 13.908 6.085 1.00 0.77 O ATOM 128 CB SER A 98 2.206 11.333 7.535 1.00 0.92 C ATOM 129 OG SER A 98 2.103 12.495 8.351 1.00 1.57 O ATOM 0 H SER A 98 3.326 9.640 6.253 1.00 0.69 H new ATOM 0 HA SER A 98 2.070 12.175 5.520 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.222 10.884 7.397 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.831 10.586 8.024 1.00 0.92 H new ATOM 0 HG SER A 98 1.718 12.252 9.219 1.00 1.57 H new ATOM 135 N ASP A 99 5.087 12.296 6.824 1.00 0.80 N ATOM 136 CA ASP A 99 6.233 13.238 7.026 1.00 0.86 C ATOM 137 C ASP A 99 6.626 13.908 5.701 1.00 0.81 C ATOM 138 O ASP A 99 6.999 15.065 5.676 1.00 0.91 O ATOM 139 CB ASP A 99 7.375 12.370 7.557 1.00 1.02 C ATOM 140 CG ASP A 99 8.446 13.264 8.183 1.00 1.23 C ATOM 141 OD1 ASP A 99 8.272 13.650 9.328 1.00 1.79 O ATOM 142 OD2 ASP A 99 9.420 13.548 7.509 1.00 1.83 O ATOM 0 H ASP A 99 5.279 11.325 7.071 1.00 0.80 H new ATOM 0 HA ASP A 99 5.982 14.044 7.715 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.996 11.665 8.297 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.805 11.781 6.747 1.00 1.02 H new ATOM 147 N LEU A 100 6.534 13.194 4.602 1.00 0.75 N ATOM 148 CA LEU A 100 6.893 13.796 3.276 1.00 0.76 C ATOM 149 C LEU A 100 6.042 15.050 2.992 1.00 0.68 C ATOM 150 O LEU A 100 6.391 15.854 2.158 1.00 0.79 O ATOM 151 CB LEU A 100 6.603 12.703 2.236 1.00 0.86 C ATOM 152 CG LEU A 100 7.905 12.301 1.533 1.00 0.79 C ATOM 153 CD1 LEU A 100 8.047 10.778 1.540 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.880 12.791 0.085 1.00 1.41 C ATOM 0 H LEU A 100 6.226 12.222 4.566 1.00 0.75 H new ATOM 0 HA LEU A 100 7.935 14.114 3.252 1.00 0.76 H new ATOM 0 HB2 LEU A 100 6.157 11.835 2.721 1.00 0.86 H new ATOM 0 HB3 LEU A 100 5.880 13.066 1.505 1.00 0.86 H new ATOM 0 HG LEU A 100 8.746 12.751 2.060 1.00 0.79 H new ATOM 0 HD11 LEU A 100 8.973 10.497 1.039 1.00 1.41 H new ATOM 0 HD12 LEU A 100 8.067 10.419 2.569 1.00 1.41 H new ATOM 0 HD13 LEU A 100 7.202 10.331 1.016 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.807 12.504 -0.412 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.034 12.342 -0.436 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.781 13.876 0.070 1.00 1.41 H new ATOM 166 N PHE A 101 4.929 15.221 3.671 1.00 0.60 N ATOM 167 CA PHE A 101 4.071 16.425 3.428 1.00 0.59 C ATOM 168 C PHE A 101 4.412 17.561 4.405 1.00 0.60 C ATOM 169 O PHE A 101 4.743 18.661 4.002 1.00 0.72 O ATOM 170 CB PHE A 101 2.632 15.946 3.657 1.00 0.61 C ATOM 171 CG PHE A 101 1.669 16.878 2.955 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.586 18.224 3.337 1.00 0.68 C ATOM 173 CD2 PHE A 101 0.866 16.397 1.918 1.00 0.86 C ATOM 174 CE1 PHE A 101 0.699 19.085 2.679 1.00 0.73 C ATOM 175 CE2 PHE A 101 -0.018 17.259 1.260 1.00 0.90 C ATOM 176 CZ PHE A 101 -0.102 18.601 1.639 1.00 0.69 C ATOM 0 H PHE A 101 4.579 14.578 4.382 1.00 0.60 H new ATOM 0 HA PHE A 101 4.223 16.824 2.425 1.00 0.59 H new ATOM 0 HB2 PHE A 101 2.512 14.931 3.279 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.413 15.917 4.724 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.206 18.597 4.139 1.00 0.68 H new ATOM 0 HD2 PHE A 101 0.928 15.360 1.624 1.00 0.86 H new ATOM 0 HE1 PHE A 101 0.633 20.122 2.974 1.00 0.73 H new ATOM 0 HE2 PHE A 101 -0.637 16.886 0.457 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.785 19.265 1.129 1.00 0.69 H new ATOM 186 N ARG A 102 4.301 17.306 5.686 1.00 0.67 N ATOM 187 CA ARG A 102 4.579 18.368 6.709 1.00 0.76 C ATOM 188 C ARG A 102 6.068 18.762 6.753 1.00 0.68 C ATOM 189 O ARG A 102 6.406 19.849 7.179 1.00 0.78 O ATOM 190 CB ARG A 102 4.135 17.747 8.042 1.00 0.99 C ATOM 191 CG ARG A 102 5.174 16.723 8.515 1.00 1.30 C ATOM 192 CD ARG A 102 4.482 15.603 9.296 1.00 1.45 C ATOM 193 NE ARG A 102 5.594 14.741 9.800 1.00 2.12 N ATOM 194 CZ ARG A 102 5.352 13.787 10.652 1.00 2.71 C ATOM 195 NH1 ARG A 102 4.548 12.810 10.332 1.00 3.07 N ATOM 196 NH2 ARG A 102 5.926 13.802 11.823 1.00 3.37 N1+ ATOM 0 H ARG A 102 4.028 16.402 6.071 1.00 0.67 H new ATOM 0 HA ARG A 102 4.048 19.292 6.478 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.013 18.527 8.793 1.00 0.99 H new ATOM 0 HB3 ARG A 102 3.165 17.265 7.923 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.704 16.307 7.658 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.918 17.211 9.144 1.00 1.30 H new ATOM 0 HD2 ARG A 102 3.889 16.003 10.118 1.00 1.45 H new ATOM 0 HD3 ARG A 102 3.802 15.038 8.658 1.00 1.45 H new ATOM 0 HE ARG A 102 6.547 14.901 9.475 1.00 2.12 H new ATOM 0 HH11 ARG A 102 4.107 12.793 9.412 1.00 3.07 H new ATOM 0 HH12 ARG A 102 4.360 12.064 11.002 1.00 3.07 H new ATOM 0 HH21 ARG A 102 6.563 14.560 12.069 1.00 3.37 H new ATOM 0 HH22 ARG A 102 5.738 13.056 12.493 1.00 3.37 H new ATOM 210 N MET A 103 6.956 17.894 6.334 1.00 0.71 N ATOM 211 CA MET A 103 8.415 18.232 6.370 1.00 0.75 C ATOM 212 C MET A 103 8.905 18.761 5.007 1.00 0.68 C ATOM 213 O MET A 103 10.041 19.177 4.875 1.00 0.83 O ATOM 214 CB MET A 103 9.113 16.914 6.724 1.00 0.93 C ATOM 215 CG MET A 103 10.364 17.198 7.560 1.00 1.27 C ATOM 216 SD MET A 103 11.843 16.904 6.557 1.00 1.82 S ATOM 217 CE MET A 103 13.041 17.646 7.693 1.00 2.43 C ATOM 0 H MET A 103 6.735 16.967 5.969 1.00 0.71 H new ATOM 0 HA MET A 103 8.629 19.022 7.090 1.00 0.75 H new ATOM 0 HB2 MET A 103 8.432 16.269 7.279 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.386 16.381 5.814 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.351 18.229 7.914 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.377 16.558 8.442 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.041 17.573 7.266 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.790 18.695 7.853 1.00 2.43 H new ATOM 0 HE3 MET A 103 13.014 17.117 8.646 1.00 2.43 H new ATOM 227 N PHE A 104 8.073 18.730 3.991 1.00 0.68 N ATOM 228 CA PHE A 104 8.513 19.211 2.640 1.00 0.79 C ATOM 229 C PHE A 104 7.976 20.615 2.322 1.00 0.71 C ATOM 230 O PHE A 104 8.533 21.311 1.494 1.00 0.88 O ATOM 231 CB PHE A 104 7.925 18.196 1.660 1.00 0.94 C ATOM 232 CG PHE A 104 8.913 17.077 1.402 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.820 16.683 2.396 1.00 1.26 C ATOM 234 CD2 PHE A 104 8.918 16.432 0.162 1.00 2.03 C ATOM 235 CE1 PHE A 104 10.729 15.649 2.145 1.00 1.86 C ATOM 236 CE2 PHE A 104 9.826 15.398 -0.089 1.00 2.65 C ATOM 237 CZ PHE A 104 10.732 15.007 0.902 1.00 2.56 C ATOM 0 H PHE A 104 7.111 18.394 4.038 1.00 0.68 H new ATOM 0 HA PHE A 104 9.599 19.286 2.584 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.999 17.786 2.063 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.673 18.691 0.722 1.00 0.94 H new ATOM 0 HD1 PHE A 104 9.817 17.178 3.356 1.00 1.26 H new ATOM 0 HD2 PHE A 104 8.219 16.733 -0.604 1.00 2.03 H new ATOM 0 HE1 PHE A 104 11.428 15.347 2.911 1.00 1.86 H new ATOM 0 HE2 PHE A 104 9.827 14.902 -1.048 1.00 2.65 H new ATOM 0 HZ PHE A 104 11.434 14.210 0.708 1.00 2.56 H new ATOM 247 N ASP A 105 6.898 21.034 2.947 1.00 0.61 N ATOM 248 CA ASP A 105 6.338 22.389 2.641 1.00 0.60 C ATOM 249 C ASP A 105 7.291 23.499 3.111 1.00 0.56 C ATOM 250 O ASP A 105 7.174 24.018 4.207 1.00 0.63 O ATOM 251 CB ASP A 105 4.994 22.464 3.377 1.00 0.68 C ATOM 252 CG ASP A 105 4.064 23.428 2.634 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.417 22.994 1.697 1.00 0.84 O ATOM 254 OD2 ASP A 105 4.020 24.589 3.009 1.00 1.45 O ATOM 0 H ASP A 105 6.387 20.500 3.650 1.00 0.61 H new ATOM 0 HA ASP A 105 6.210 22.534 1.568 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.541 21.474 3.433 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.146 22.804 4.402 1.00 0.68 H new ATOM 259 N LYS A 106 8.223 23.876 2.270 1.00 0.59 N ATOM 260 CA LYS A 106 9.183 24.966 2.632 1.00 0.66 C ATOM 261 C LYS A 106 8.495 26.337 2.489 1.00 0.55 C ATOM 262 O LYS A 106 8.965 27.331 3.010 1.00 0.63 O ATOM 263 CB LYS A 106 10.365 24.795 1.647 1.00 0.87 C ATOM 264 CG LYS A 106 10.585 26.058 0.795 1.00 1.21 C ATOM 265 CD LYS A 106 9.648 26.035 -0.418 1.00 1.61 C ATOM 266 CE LYS A 106 9.617 27.421 -1.071 1.00 1.77 C ATOM 267 NZ LYS A 106 8.670 27.288 -2.217 1.00 2.14 N1+ ATOM 0 H LYS A 106 8.361 23.473 1.343 1.00 0.59 H new ATOM 0 HA LYS A 106 9.528 24.911 3.665 1.00 0.66 H new ATOM 0 HB2 LYS A 106 11.274 24.570 2.205 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.173 23.944 0.993 1.00 0.87 H new ATOM 0 HG2 LYS A 106 10.398 26.949 1.394 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.622 26.109 0.464 1.00 1.21 H new ATOM 0 HD2 LYS A 106 9.987 25.290 -1.138 1.00 1.61 H new ATOM 0 HD3 LYS A 106 8.644 25.745 -0.109 1.00 1.61 H new ATOM 0 HE2 LYS A 106 9.280 28.181 -0.367 1.00 1.77 H new ATOM 0 HE3 LYS A 106 10.609 27.719 -1.411 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 8.907 27.990 -2.947 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 8.744 26.332 -2.619 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 7.698 27.450 -1.885 1.00 2.14 H new ATOM 281 N ASN A 107 7.384 26.392 1.789 1.00 0.48 N ATOM 282 CA ASN A 107 6.661 27.687 1.611 1.00 0.50 C ATOM 283 C ASN A 107 5.903 28.072 2.900 1.00 0.58 C ATOM 284 O ASN A 107 5.617 29.231 3.129 1.00 0.70 O ATOM 285 CB ASN A 107 5.688 27.436 0.458 1.00 0.54 C ATOM 286 CG ASN A 107 5.232 28.764 -0.145 1.00 0.70 C ATOM 287 OD1 ASN A 107 6.041 29.605 -0.479 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.958 28.984 -0.311 1.00 0.78 N ATOM 0 H ASN A 107 6.948 25.590 1.333 1.00 0.48 H new ATOM 0 HA ASN A 107 7.340 28.513 1.400 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.169 26.827 -0.307 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.825 26.875 0.816 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.641 29.862 -0.721 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.278 28.278 -0.031 1.00 0.78 H new ATOM 295 N ALA A 108 5.588 27.101 3.738 1.00 0.65 N ATOM 296 CA ALA A 108 4.864 27.369 5.031 1.00 0.84 C ATOM 297 C ALA A 108 3.423 27.866 4.797 1.00 0.78 C ATOM 298 O ALA A 108 3.182 29.041 4.593 1.00 0.96 O ATOM 299 CB ALA A 108 5.698 28.433 5.759 1.00 1.03 C ATOM 0 H ALA A 108 5.807 26.118 3.576 1.00 0.65 H new ATOM 0 HA ALA A 108 4.766 26.455 5.616 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.227 28.676 6.711 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.702 28.048 5.939 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.758 29.331 5.144 1.00 1.03 H new ATOM 305 N ASP A 109 2.463 26.967 4.852 1.00 0.73 N ATOM 306 CA ASP A 109 1.023 27.353 4.664 1.00 0.74 C ATOM 307 C ASP A 109 0.108 26.130 4.880 1.00 0.78 C ATOM 308 O ASP A 109 -1.003 26.260 5.359 1.00 0.96 O ATOM 309 CB ASP A 109 0.897 27.891 3.227 1.00 0.72 C ATOM 310 CG ASP A 109 1.733 27.051 2.264 1.00 1.15 C ATOM 311 OD1 ASP A 109 1.305 25.961 1.940 1.00 1.95 O ATOM 312 OD2 ASP A 109 2.785 27.515 1.865 1.00 1.66 O ATOM 0 H ASP A 109 2.618 25.973 5.021 1.00 0.73 H new ATOM 0 HA ASP A 109 0.717 28.110 5.386 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.148 27.877 2.918 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.226 28.930 3.192 1.00 0.72 H new ATOM 317 N GLY A 110 0.569 24.944 4.540 1.00 0.76 N ATOM 318 CA GLY A 110 -0.269 23.717 4.734 1.00 0.85 C ATOM 319 C GLY A 110 -0.596 23.065 3.383 1.00 0.70 C ATOM 320 O GLY A 110 -1.070 21.946 3.331 1.00 0.73 O ATOM 0 H GLY A 110 1.491 24.776 4.136 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.260 23.006 5.368 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.193 23.979 5.250 1.00 0.85 H new ATOM 324 N TYR A 111 -0.356 23.752 2.292 1.00 0.68 N ATOM 325 CA TYR A 111 -0.662 23.172 0.949 1.00 0.60 C ATOM 326 C TYR A 111 0.597 23.192 0.076 1.00 0.58 C ATOM 327 O TYR A 111 1.210 24.222 -0.121 1.00 0.83 O ATOM 328 CB TYR A 111 -1.749 24.084 0.372 1.00 0.68 C ATOM 329 CG TYR A 111 -3.005 23.953 1.200 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.099 24.595 2.442 1.00 0.71 C ATOM 331 CD2 TYR A 111 -4.071 23.181 0.727 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.263 24.464 3.208 1.00 0.78 C ATOM 333 CE2 TYR A 111 -5.233 23.049 1.490 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.331 23.691 2.731 1.00 0.80 C ATOM 335 OH TYR A 111 -6.478 23.560 3.485 1.00 0.90 O ATOM 0 H TYR A 111 0.040 24.692 2.275 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.992 22.134 0.999 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.408 25.119 0.370 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.953 23.814 -0.664 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.275 25.190 2.807 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.995 22.686 -0.230 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -4.338 24.958 4.166 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -6.055 22.452 1.124 1.00 0.83 H new ATOM 0 HH TYR A 111 -7.119 22.992 3.009 1.00 0.90 H new ATOM 345 N ILE A 112 0.994 22.059 -0.440 1.00 0.50 N ATOM 346 CA ILE A 112 2.228 22.014 -1.285 1.00 0.50 C ATOM 347 C ILE A 112 1.967 22.629 -2.672 1.00 0.49 C ATOM 348 O ILE A 112 1.031 22.264 -3.356 1.00 0.66 O ATOM 349 CB ILE A 112 2.592 20.527 -1.387 1.00 0.50 C ATOM 350 CG1 ILE A 112 2.804 19.953 0.021 1.00 0.62 C ATOM 351 CG2 ILE A 112 3.882 20.377 -2.188 1.00 0.58 C ATOM 352 CD1 ILE A 112 3.266 18.499 -0.079 1.00 0.66 C ATOM 0 H ILE A 112 0.520 21.164 -0.315 1.00 0.50 H new ATOM 0 HA ILE A 112 3.042 22.595 -0.852 1.00 0.50 H new ATOM 0 HB ILE A 112 1.784 19.989 -1.883 1.00 0.50 H new ATOM 0 HG12 ILE A 112 3.546 20.544 0.557 1.00 0.62 H new ATOM 0 HG13 ILE A 112 1.877 20.012 0.591 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.143 19.321 -2.262 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.739 20.787 -3.188 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.686 20.916 -1.687 1.00 0.58 H new ATOM 0 HD11 ILE A 112 3.415 18.095 0.922 1.00 0.66 H new ATOM 0 HD12 ILE A 112 2.509 17.911 -0.598 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.204 18.452 -0.633 1.00 0.66 H new ATOM 364 N ASP A 113 2.794 23.562 -3.084 1.00 0.47 N ATOM 365 CA ASP A 113 2.607 24.212 -4.422 1.00 0.50 C ATOM 366 C ASP A 113 3.774 23.870 -5.368 1.00 0.50 C ATOM 367 O ASP A 113 4.834 23.455 -4.944 1.00 0.57 O ATOM 368 CB ASP A 113 2.533 25.724 -4.147 1.00 0.60 C ATOM 369 CG ASP A 113 3.729 26.180 -3.306 1.00 1.17 C ATOM 370 OD1 ASP A 113 4.801 26.323 -3.864 1.00 1.77 O ATOM 371 OD2 ASP A 113 3.548 26.384 -2.116 1.00 1.85 O ATOM 0 H ASP A 113 3.593 23.902 -2.549 1.00 0.47 H new ATOM 0 HA ASP A 113 1.703 23.857 -4.917 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.516 26.270 -5.090 1.00 0.60 H new ATOM 0 HB3 ASP A 113 1.605 25.959 -3.626 1.00 0.60 H new ATOM 376 N LEU A 114 3.550 24.019 -6.653 1.00 0.52 N ATOM 377 CA LEU A 114 4.589 23.683 -7.692 1.00 0.57 C ATOM 378 C LEU A 114 6.002 24.196 -7.349 1.00 0.63 C ATOM 379 O LEU A 114 6.986 23.565 -7.694 1.00 0.80 O ATOM 380 CB LEU A 114 4.086 24.355 -8.979 1.00 0.62 C ATOM 381 CG LEU A 114 3.308 23.340 -9.821 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.428 24.069 -10.839 1.00 0.91 C ATOM 383 CD2 LEU A 114 4.295 22.435 -10.560 1.00 0.81 C ATOM 0 H LEU A 114 2.672 24.367 -7.038 1.00 0.52 H new ATOM 0 HA LEU A 114 4.698 22.601 -7.773 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.447 25.203 -8.732 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.928 24.746 -9.550 1.00 0.62 H new ATOM 0 HG LEU A 114 2.675 22.741 -9.166 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.878 23.339 -11.433 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.723 24.715 -10.315 1.00 0.91 H new ATOM 0 HD13 LEU A 114 3.055 24.673 -11.495 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.745 21.711 -11.161 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.927 23.040 -11.210 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.917 21.908 -9.837 1.00 0.81 H new ATOM 395 N ASP A 115 6.123 25.332 -6.715 1.00 0.61 N ATOM 396 CA ASP A 115 7.487 25.876 -6.405 1.00 0.71 C ATOM 397 C ASP A 115 8.270 25.001 -5.406 1.00 0.65 C ATOM 398 O ASP A 115 9.484 24.961 -5.452 1.00 0.89 O ATOM 399 CB ASP A 115 7.240 27.270 -5.820 1.00 0.80 C ATOM 400 CG ASP A 115 8.546 28.066 -5.828 1.00 1.17 C ATOM 401 OD1 ASP A 115 9.069 28.302 -6.905 1.00 1.76 O ATOM 402 OD2 ASP A 115 9.005 28.422 -4.756 1.00 1.76 O ATOM 0 H ASP A 115 5.343 25.908 -6.398 1.00 0.61 H new ATOM 0 HA ASP A 115 8.102 25.898 -7.305 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.481 27.791 -6.403 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.859 27.187 -4.802 1.00 0.80 H new ATOM 407 N GLU A 116 7.617 24.310 -4.506 1.00 0.51 N ATOM 408 CA GLU A 116 8.390 23.471 -3.528 1.00 0.48 C ATOM 409 C GLU A 116 8.730 22.089 -4.114 1.00 0.49 C ATOM 410 O GLU A 116 9.573 21.393 -3.586 1.00 0.63 O ATOM 411 CB GLU A 116 7.501 23.305 -2.284 1.00 0.48 C ATOM 412 CG GLU A 116 6.819 24.618 -1.908 1.00 0.57 C ATOM 413 CD GLU A 116 5.761 24.320 -0.854 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.715 23.831 -1.221 1.00 1.36 O ATOM 415 OE2 GLU A 116 6.019 24.571 0.306 1.00 1.19 O ATOM 0 H GLU A 116 6.603 24.287 -4.403 1.00 0.51 H new ATOM 0 HA GLU A 116 9.336 23.956 -3.286 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.746 22.542 -2.474 1.00 0.48 H new ATOM 0 HB3 GLU A 116 8.105 22.954 -1.447 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.550 25.329 -1.523 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.363 25.074 -2.786 1.00 0.57 H new ATOM 422 N LEU A 117 8.085 21.676 -5.188 1.00 0.48 N ATOM 423 CA LEU A 117 8.389 20.324 -5.768 1.00 0.52 C ATOM 424 C LEU A 117 9.877 20.225 -6.141 1.00 0.58 C ATOM 425 O LEU A 117 10.546 19.263 -5.818 1.00 0.69 O ATOM 426 CB LEU A 117 7.539 20.196 -7.039 1.00 0.55 C ATOM 427 CG LEU A 117 6.052 20.062 -6.691 1.00 0.50 C ATOM 428 CD1 LEU A 117 5.225 20.401 -7.924 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.726 18.627 -6.254 1.00 0.53 C ATOM 0 H LEU A 117 7.370 22.211 -5.681 1.00 0.48 H new ATOM 0 HA LEU A 117 8.167 19.535 -5.050 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.691 21.070 -7.673 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.862 19.327 -7.612 1.00 0.55 H new ATOM 0 HG LEU A 117 5.818 20.742 -5.872 1.00 0.50 H new ATOM 0 HD11 LEU A 117 4.165 20.309 -7.688 1.00 0.58 H new ATOM 0 HD12 LEU A 117 5.440 21.423 -8.236 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.478 19.714 -8.732 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.666 18.553 -6.011 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.962 17.937 -7.064 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.318 18.371 -5.376 1.00 0.53 H new ATOM 441 N LYS A 118 10.390 21.216 -6.832 1.00 0.59 N ATOM 442 CA LYS A 118 11.828 21.190 -7.246 1.00 0.69 C ATOM 443 C LYS A 118 12.748 21.618 -6.084 1.00 0.64 C ATOM 444 O LYS A 118 13.890 21.207 -6.009 1.00 0.73 O ATOM 445 CB LYS A 118 11.909 22.164 -8.442 1.00 0.83 C ATOM 446 CG LYS A 118 12.387 23.551 -7.993 1.00 0.99 C ATOM 447 CD LYS A 118 11.745 24.627 -8.876 1.00 1.35 C ATOM 448 CE LYS A 118 10.598 25.299 -8.112 1.00 1.51 C ATOM 449 NZ LYS A 118 10.192 26.464 -8.951 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.872 22.044 -7.127 1.00 0.59 H new ATOM 0 HA LYS A 118 12.165 20.191 -7.522 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.591 21.766 -9.193 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.930 22.248 -8.913 1.00 0.83 H new ATOM 0 HG2 LYS A 118 12.122 23.718 -6.949 1.00 0.99 H new ATOM 0 HG3 LYS A 118 13.473 23.612 -8.060 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.490 25.370 -9.162 1.00 1.35 H new ATOM 0 HD3 LYS A 118 11.370 24.181 -9.797 1.00 1.35 H new ATOM 0 HE2 LYS A 118 9.766 24.610 -7.967 1.00 1.51 H new ATOM 0 HE3 LYS A 118 10.921 25.621 -7.122 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 9.794 27.208 -8.343 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 11.023 26.836 -9.454 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 9.476 26.162 -9.642 1.00 1.99 H new ATOM 463 N ILE A 119 12.262 22.433 -5.177 1.00 0.68 N ATOM 464 CA ILE A 119 13.117 22.876 -4.028 1.00 0.74 C ATOM 465 C ILE A 119 13.310 21.727 -3.022 1.00 0.75 C ATOM 466 O ILE A 119 14.365 21.585 -2.435 1.00 0.85 O ATOM 467 CB ILE A 119 12.361 24.056 -3.400 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.611 25.313 -4.241 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.860 24.302 -1.972 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.558 26.376 -3.921 1.00 1.06 C ATOM 0 H ILE A 119 11.314 22.809 -5.182 1.00 0.68 H new ATOM 0 HA ILE A 119 14.118 23.168 -4.344 1.00 0.74 H new ATOM 0 HB ILE A 119 11.296 23.826 -3.372 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.608 25.704 -4.037 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.577 25.064 -5.302 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.317 25.141 -1.536 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.693 23.409 -1.369 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.925 24.531 -1.993 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.744 27.265 -4.523 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.566 25.985 -4.147 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.613 26.636 -2.864 1.00 1.06 H new ATOM 482 N MET A 120 12.307 20.904 -2.827 1.00 0.85 N ATOM 483 CA MET A 120 12.447 19.761 -1.867 1.00 1.01 C ATOM 484 C MET A 120 13.329 18.657 -2.474 1.00 0.95 C ATOM 485 O MET A 120 14.054 17.978 -1.771 1.00 1.11 O ATOM 486 CB MET A 120 11.018 19.250 -1.614 1.00 1.17 C ATOM 487 CG MET A 120 10.443 18.612 -2.887 1.00 1.52 C ATOM 488 SD MET A 120 8.815 17.894 -2.545 1.00 1.88 S ATOM 489 CE MET A 120 8.159 19.231 -1.514 1.00 1.43 C ATOM 0 H MET A 120 11.400 20.973 -3.289 1.00 0.85 H new ATOM 0 HA MET A 120 12.926 20.068 -0.937 1.00 1.01 H new ATOM 0 HB2 MET A 120 11.024 18.520 -0.805 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.382 20.075 -1.294 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.360 19.362 -3.673 1.00 1.52 H new ATOM 0 HG3 MET A 120 11.120 17.840 -3.253 1.00 1.52 H new ATOM 0 HE1 MET A 120 7.118 19.023 -1.267 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.742 19.302 -0.596 1.00 1.43 H new ATOM 0 HE3 MET A 120 8.222 20.174 -2.058 1.00 1.43 H new ATOM 499 N LEU A 121 13.278 18.478 -3.775 1.00 0.87 N ATOM 500 CA LEU A 121 14.117 17.421 -4.428 1.00 0.95 C ATOM 501 C LEU A 121 15.593 17.856 -4.489 1.00 0.87 C ATOM 502 O LEU A 121 16.469 17.046 -4.721 1.00 0.97 O ATOM 503 CB LEU A 121 13.550 17.269 -5.849 1.00 1.09 C ATOM 504 CG LEU A 121 12.705 15.989 -5.963 1.00 1.41 C ATOM 505 CD1 LEU A 121 13.520 14.772 -5.515 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.453 16.113 -5.091 1.00 1.80 C ATOM 0 H LEU A 121 12.692 19.018 -4.412 1.00 0.87 H new ATOM 0 HA LEU A 121 14.085 16.484 -3.871 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.939 18.137 -6.097 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.367 17.237 -6.570 1.00 1.09 H new ATOM 0 HG LEU A 121 12.412 15.857 -7.004 1.00 1.41 H new ATOM 0 HD11 LEU A 121 12.909 13.873 -5.601 1.00 2.03 H new ATOM 0 HD12 LEU A 121 14.403 14.673 -6.147 1.00 2.03 H new ATOM 0 HD13 LEU A 121 13.829 14.903 -4.478 1.00 2.03 H new ATOM 0 HD21 LEU A 121 10.859 15.203 -5.176 1.00 1.80 H new ATOM 0 HD22 LEU A 121 11.747 16.259 -4.051 1.00 1.80 H new ATOM 0 HD23 LEU A 121 10.861 16.966 -5.424 1.00 1.80 H new ATOM 518 N GLN A 122 15.874 19.126 -4.288 1.00 0.82 N ATOM 519 CA GLN A 122 17.293 19.609 -4.338 1.00 0.95 C ATOM 520 C GLN A 122 18.158 18.865 -3.310 1.00 1.04 C ATOM 521 O GLN A 122 19.338 18.657 -3.522 1.00 1.19 O ATOM 522 CB GLN A 122 17.223 21.104 -4.004 1.00 1.14 C ATOM 523 CG GLN A 122 17.242 21.919 -5.302 1.00 1.42 C ATOM 524 CD GLN A 122 16.527 23.257 -5.087 1.00 1.85 C ATOM 525 OE1 GLN A 122 16.652 23.869 -4.045 1.00 2.44 O ATOM 526 NE2 GLN A 122 15.778 23.741 -6.038 1.00 2.28 N ATOM 0 H GLN A 122 15.180 19.848 -4.092 1.00 0.82 H new ATOM 0 HA GLN A 122 17.747 19.431 -5.313 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.315 21.319 -3.440 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.065 21.386 -3.372 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.271 22.093 -5.618 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.754 21.360 -6.100 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.671 23.229 -6.914 1.00 2.28 H new ATOM 0 HE22 GLN A 122 15.299 24.632 -5.906 1.00 2.28 H new ATOM 535 N ALA A 123 17.580 18.460 -2.205 1.00 1.09 N ATOM 536 CA ALA A 123 18.367 17.725 -1.166 1.00 1.33 C ATOM 537 C ALA A 123 18.872 16.382 -1.717 1.00 1.38 C ATOM 538 O ALA A 123 19.975 15.963 -1.427 1.00 1.62 O ATOM 539 CB ALA A 123 17.384 17.497 -0.014 1.00 1.45 C ATOM 0 H ALA A 123 16.597 18.607 -1.978 1.00 1.09 H new ATOM 0 HA ALA A 123 19.248 18.283 -0.850 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.886 16.961 0.792 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.028 18.458 0.356 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.538 16.909 -0.369 1.00 1.45 H new ATOM 545 N THR A 124 18.071 15.709 -2.506 1.00 1.29 N ATOM 546 CA THR A 124 18.500 14.390 -3.075 1.00 1.47 C ATOM 547 C THR A 124 19.261 14.579 -4.397 1.00 1.44 C ATOM 548 O THR A 124 20.184 13.842 -4.692 1.00 1.72 O ATOM 549 CB THR A 124 17.203 13.604 -3.308 1.00 1.56 C ATOM 550 OG1 THR A 124 16.250 14.430 -3.966 1.00 2.16 O ATOM 551 CG2 THR A 124 16.633 13.142 -1.966 1.00 1.92 C ATOM 0 H THR A 124 17.138 16.015 -2.782 1.00 1.29 H new ATOM 0 HA THR A 124 19.178 13.867 -2.401 1.00 1.47 H new ATOM 0 HB THR A 124 17.420 12.736 -3.930 1.00 1.56 H new ATOM 0 HG1 THR A 124 16.124 14.116 -4.886 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.712 12.584 -2.135 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.358 12.502 -1.464 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.422 14.010 -1.342 1.00 1.92 H new ATOM 559 N GLY A 125 18.886 15.552 -5.194 1.00 1.26 N ATOM 560 CA GLY A 125 19.596 15.777 -6.494 1.00 1.32 C ATOM 561 C GLY A 125 18.648 16.424 -7.504 1.00 1.26 C ATOM 562 O GLY A 125 18.224 15.795 -8.455 1.00 1.63 O ATOM 0 H GLY A 125 18.121 16.198 -5.001 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.465 16.417 -6.337 1.00 1.32 H new ATOM 0 HA3 GLY A 125 19.965 14.829 -6.885 1.00 1.32 H new ATOM 566 N GLU A 126 18.325 17.677 -7.315 1.00 1.02 N ATOM 567 CA GLU A 126 17.412 18.366 -8.276 1.00 1.08 C ATOM 568 C GLU A 126 18.218 19.275 -9.210 1.00 0.89 C ATOM 569 O GLU A 126 18.456 20.434 -8.922 1.00 0.87 O ATOM 570 CB GLU A 126 16.450 19.185 -7.417 1.00 1.34 C ATOM 571 CG GLU A 126 15.179 19.491 -8.217 1.00 1.45 C ATOM 572 CD GLU A 126 15.392 20.742 -9.074 1.00 1.61 C ATOM 573 OE1 GLU A 126 15.343 21.831 -8.525 1.00 2.16 O ATOM 574 OE2 GLU A 126 15.600 20.589 -10.266 1.00 2.09 O ATOM 0 H GLU A 126 18.653 18.252 -6.539 1.00 1.02 H new ATOM 0 HA GLU A 126 16.875 17.658 -8.907 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.198 18.635 -6.511 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.927 20.114 -7.104 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.926 18.643 -8.853 1.00 1.45 H new ATOM 0 HG3 GLU A 126 14.339 19.643 -7.539 1.00 1.45 H new ATOM 581 N THR A 127 18.630 18.749 -10.330 1.00 1.09 N ATOM 582 CA THR A 127 19.410 19.559 -11.314 1.00 1.21 C ATOM 583 C THR A 127 18.731 19.469 -12.687 1.00 1.29 C ATOM 584 O THR A 127 19.334 19.104 -13.679 1.00 1.60 O ATOM 585 CB THR A 127 20.820 18.941 -11.329 1.00 1.57 C ATOM 586 OG1 THR A 127 21.611 19.591 -12.315 1.00 1.91 O ATOM 587 CG2 THR A 127 20.750 17.444 -11.644 1.00 2.18 C ATOM 0 H THR A 127 18.459 17.783 -10.610 1.00 1.09 H new ATOM 0 HA THR A 127 19.461 20.616 -11.054 1.00 1.21 H new ATOM 0 HB THR A 127 21.268 19.073 -10.344 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.197 19.475 -13.196 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.757 17.026 -11.650 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.152 16.940 -10.885 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.291 17.299 -12.622 1.00 2.18 H new ATOM 595 N ILE A 128 17.466 19.796 -12.740 1.00 1.08 N ATOM 596 CA ILE A 128 16.719 19.731 -14.031 1.00 1.20 C ATOM 597 C ILE A 128 15.805 20.958 -14.177 1.00 1.18 C ATOM 598 O ILE A 128 15.476 21.617 -13.208 1.00 1.15 O ATOM 599 CB ILE A 128 15.905 18.427 -13.946 1.00 1.12 C ATOM 600 CG1 ILE A 128 15.183 18.181 -15.272 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.866 18.518 -12.824 1.00 1.62 C ATOM 602 CD1 ILE A 128 16.192 17.770 -16.347 1.00 2.03 C ATOM 0 H ILE A 128 16.915 20.107 -11.940 1.00 1.08 H new ATOM 0 HA ILE A 128 17.376 19.736 -14.901 1.00 1.20 H new ATOM 0 HB ILE A 128 16.590 17.605 -13.737 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.433 17.400 -15.148 1.00 1.32 H new ATOM 0 HG13 ILE A 128 14.656 19.083 -15.582 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.299 17.588 -12.777 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.371 18.683 -11.873 1.00 1.62 H new ATOM 0 HG23 ILE A 128 14.187 19.347 -13.023 1.00 1.62 H new ATOM 0 HD11 ILE A 128 15.670 17.597 -17.288 1.00 2.03 H new ATOM 0 HD12 ILE A 128 16.926 18.565 -16.480 1.00 2.03 H new ATOM 0 HD13 ILE A 128 16.699 16.856 -16.039 1.00 2.03 H new ATOM 614 N THR A 129 15.403 21.276 -15.383 1.00 1.34 N ATOM 615 CA THR A 129 14.516 22.468 -15.593 1.00 1.42 C ATOM 616 C THR A 129 13.137 22.244 -14.952 1.00 1.16 C ATOM 617 O THR A 129 12.741 21.126 -14.677 1.00 0.97 O ATOM 618 CB THR A 129 14.389 22.624 -17.115 1.00 1.64 C ATOM 619 OG1 THR A 129 13.623 23.784 -17.405 1.00 2.23 O ATOM 620 CG2 THR A 129 13.697 21.396 -17.719 1.00 2.28 C ATOM 0 H THR A 129 15.649 20.765 -16.231 1.00 1.34 H new ATOM 0 HA THR A 129 14.931 23.363 -15.129 1.00 1.42 H new ATOM 0 HB THR A 129 15.385 22.718 -17.547 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.541 23.888 -18.376 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.613 21.520 -18.799 1.00 2.28 H new ATOM 0 HG22 THR A 129 14.283 20.504 -17.500 1.00 2.28 H new ATOM 0 HG23 THR A 129 12.702 21.291 -17.288 1.00 2.28 H new ATOM 628 N GLU A 130 12.408 23.309 -14.718 1.00 1.31 N ATOM 629 CA GLU A 130 11.051 23.185 -14.095 1.00 1.28 C ATOM 630 C GLU A 130 10.111 22.362 -14.988 1.00 1.16 C ATOM 631 O GLU A 130 9.316 21.581 -14.502 1.00 1.21 O ATOM 632 CB GLU A 130 10.545 24.622 -13.966 1.00 1.69 C ATOM 633 CG GLU A 130 9.110 24.608 -13.438 1.00 2.05 C ATOM 634 CD GLU A 130 9.099 25.041 -11.970 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.280 24.187 -11.118 1.00 3.03 O ATOM 636 OE2 GLU A 130 8.916 26.221 -11.720 1.00 2.70 O ATOM 0 H GLU A 130 12.696 24.264 -14.933 1.00 1.31 H new ATOM 0 HA GLU A 130 11.090 22.673 -13.134 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.188 25.187 -13.290 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.583 25.121 -14.934 1.00 1.69 H new ATOM 0 HG2 GLU A 130 8.487 25.279 -14.030 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.685 23.609 -13.536 1.00 2.05 H new ATOM 643 N ASP A 131 10.200 22.532 -16.287 1.00 1.18 N ATOM 644 CA ASP A 131 9.320 21.757 -17.221 1.00 1.19 C ATOM 645 C ASP A 131 9.407 20.252 -16.909 1.00 1.07 C ATOM 646 O ASP A 131 8.446 19.522 -17.064 1.00 1.14 O ATOM 647 CB ASP A 131 9.867 22.079 -18.618 1.00 1.44 C ATOM 648 CG ASP A 131 9.439 21.006 -19.624 1.00 1.48 C ATOM 649 OD1 ASP A 131 8.284 21.015 -20.016 1.00 1.91 O ATOM 650 OD2 ASP A 131 10.277 20.198 -19.990 1.00 2.07 O ATOM 0 H ASP A 131 10.847 23.176 -16.742 1.00 1.18 H new ATOM 0 HA ASP A 131 8.266 22.021 -17.132 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.503 23.054 -18.941 1.00 1.44 H new ATOM 0 HB3 ASP A 131 10.955 22.140 -18.584 1.00 1.44 H new ATOM 655 N ASP A 132 10.545 19.795 -16.446 1.00 1.00 N ATOM 656 CA ASP A 132 10.690 18.349 -16.096 1.00 1.03 C ATOM 657 C ASP A 132 10.003 18.071 -14.750 1.00 0.88 C ATOM 658 O ASP A 132 9.401 17.032 -14.553 1.00 1.03 O ATOM 659 CB ASP A 132 12.197 18.109 -15.997 1.00 1.13 C ATOM 660 CG ASP A 132 12.499 16.637 -16.271 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.476 15.862 -15.329 1.00 1.99 O ATOM 662 OD2 ASP A 132 12.753 16.309 -17.417 1.00 1.79 O ATOM 0 H ASP A 132 11.380 20.362 -16.296 1.00 1.00 H new ATOM 0 HA ASP A 132 10.229 17.692 -16.834 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.724 18.739 -16.714 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.556 18.386 -15.006 1.00 1.13 H new ATOM 667 N ILE A 133 10.074 19.007 -13.831 1.00 0.75 N ATOM 668 CA ILE A 133 9.407 18.824 -12.498 1.00 0.77 C ATOM 669 C ILE A 133 7.896 18.625 -12.700 1.00 0.70 C ATOM 670 O ILE A 133 7.241 17.950 -11.928 1.00 0.82 O ATOM 671 CB ILE A 133 9.661 20.127 -11.713 1.00 0.87 C ATOM 672 CG1 ILE A 133 11.161 20.483 -11.704 1.00 0.96 C ATOM 673 CG2 ILE A 133 9.177 19.959 -10.268 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.972 19.367 -11.040 1.00 1.00 C ATOM 0 H ILE A 133 10.566 19.893 -13.946 1.00 0.75 H new ATOM 0 HA ILE A 133 9.796 17.954 -11.968 1.00 0.77 H new ATOM 0 HB ILE A 133 9.113 20.932 -12.202 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.511 20.637 -12.725 1.00 0.96 H new ATOM 0 HG13 ILE A 133 11.315 21.420 -11.170 1.00 0.96 H new ATOM 0 HG21 ILE A 133 9.357 20.881 -9.714 1.00 1.06 H new ATOM 0 HG22 ILE A 133 8.110 19.737 -10.265 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.719 19.140 -9.796 1.00 1.06 H new ATOM 0 HD11 ILE A 133 13.029 19.634 -11.042 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.634 19.233 -10.013 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.832 18.438 -11.592 1.00 1.00 H new ATOM 686 N GLU A 134 7.349 19.211 -13.741 1.00 0.61 N ATOM 687 CA GLU A 134 5.886 19.074 -14.021 1.00 0.64 C ATOM 688 C GLU A 134 5.477 17.599 -14.155 1.00 0.64 C ATOM 689 O GLU A 134 4.343 17.250 -13.891 1.00 0.76 O ATOM 690 CB GLU A 134 5.668 19.819 -15.339 1.00 0.73 C ATOM 691 CG GLU A 134 5.322 21.279 -15.041 1.00 0.89 C ATOM 692 CD GLU A 134 3.822 21.403 -14.761 1.00 1.21 C ATOM 693 OE1 GLU A 134 3.063 21.433 -15.714 1.00 1.86 O ATOM 694 OE2 GLU A 134 3.460 21.463 -13.598 1.00 1.87 O ATOM 0 H GLU A 134 7.860 19.783 -14.413 1.00 0.61 H new ATOM 0 HA GLU A 134 5.280 19.480 -13.211 1.00 0.64 H new ATOM 0 HB2 GLU A 134 6.566 19.764 -15.954 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.864 19.351 -15.906 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.893 21.631 -14.182 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.598 21.909 -15.887 1.00 0.89 H new ATOM 701 N GLU A 135 6.384 16.727 -14.546 1.00 0.59 N ATOM 702 CA GLU A 135 6.023 15.277 -14.669 1.00 0.67 C ATOM 703 C GLU A 135 5.447 14.786 -13.338 1.00 0.74 C ATOM 704 O GLU A 135 4.430 14.116 -13.301 1.00 0.91 O ATOM 705 CB GLU A 135 7.329 14.549 -15.012 1.00 0.72 C ATOM 706 CG GLU A 135 7.224 13.942 -16.416 1.00 1.16 C ATOM 707 CD GLU A 135 6.779 15.012 -17.419 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.492 15.991 -17.574 1.00 2.03 O ATOM 709 OE2 GLU A 135 5.726 14.840 -18.010 1.00 2.29 O ATOM 0 H GLU A 135 7.349 16.956 -14.783 1.00 0.59 H new ATOM 0 HA GLU A 135 5.269 15.096 -15.435 1.00 0.67 H new ATOM 0 HB2 GLU A 135 8.168 15.244 -14.967 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.524 13.766 -14.280 1.00 0.72 H new ATOM 0 HG2 GLU A 135 8.187 13.530 -16.716 1.00 1.16 H new ATOM 0 HG3 GLU A 135 6.512 13.117 -16.412 1.00 1.16 H new ATOM 716 N LEU A 136 6.066 15.150 -12.243 1.00 0.73 N ATOM 717 CA LEU A 136 5.530 14.740 -10.912 1.00 0.87 C ATOM 718 C LEU A 136 4.196 15.460 -10.661 1.00 0.81 C ATOM 719 O LEU A 136 3.277 14.896 -10.101 1.00 1.00 O ATOM 720 CB LEU A 136 6.583 15.184 -9.883 1.00 0.99 C ATOM 721 CG LEU A 136 7.803 14.257 -9.942 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.054 15.088 -10.236 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.972 13.537 -8.596 1.00 1.75 C ATOM 0 H LEU A 136 6.917 15.712 -12.214 1.00 0.73 H new ATOM 0 HA LEU A 136 5.347 13.667 -10.850 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.887 16.211 -10.083 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.153 15.168 -8.882 1.00 0.99 H new ATOM 0 HG LEU A 136 7.659 13.517 -10.730 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.924 14.433 -10.279 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.936 15.598 -11.192 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.194 15.826 -9.446 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.840 12.879 -8.642 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.116 14.273 -7.805 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.080 12.947 -8.385 1.00 1.75 H new ATOM 735 N MET A 137 4.090 16.706 -11.077 1.00 0.67 N ATOM 736 CA MET A 137 2.821 17.476 -10.862 1.00 0.71 C ATOM 737 C MET A 137 1.665 16.906 -11.696 1.00 0.68 C ATOM 738 O MET A 137 0.537 16.892 -11.248 1.00 0.70 O ATOM 739 CB MET A 137 3.122 18.919 -11.286 1.00 0.82 C ATOM 740 CG MET A 137 2.089 19.860 -10.664 1.00 0.99 C ATOM 741 SD MET A 137 2.513 20.138 -8.927 1.00 0.94 S ATOM 742 CE MET A 137 0.915 20.775 -8.359 1.00 0.53 C ATOM 0 H MET A 137 4.829 17.220 -11.556 1.00 0.67 H new ATOM 0 HA MET A 137 2.508 17.415 -9.820 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.125 19.201 -10.967 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.098 19.003 -12.373 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.070 20.807 -11.203 1.00 0.99 H new ATOM 0 HG3 MET A 137 1.091 19.429 -10.743 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.065 21.403 -7.481 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.456 21.365 -9.152 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.262 19.941 -8.102 1.00 0.53 H new ATOM 752 N LYS A 138 1.921 16.451 -12.902 1.00 0.76 N ATOM 753 CA LYS A 138 0.803 15.899 -13.743 1.00 0.82 C ATOM 754 C LYS A 138 0.070 14.781 -12.993 1.00 0.72 C ATOM 755 O LYS A 138 -1.139 14.790 -12.892 1.00 0.84 O ATOM 756 CB LYS A 138 1.449 15.341 -15.015 1.00 0.99 C ATOM 757 CG LYS A 138 1.634 16.465 -16.041 1.00 1.57 C ATOM 758 CD LYS A 138 3.007 16.337 -16.715 1.00 2.09 C ATOM 759 CE LYS A 138 3.426 17.694 -17.292 1.00 2.74 C ATOM 760 NZ LYS A 138 4.851 17.525 -17.694 1.00 3.43 N1+ ATOM 0 H LYS A 138 2.843 16.437 -13.338 1.00 0.76 H new ATOM 0 HA LYS A 138 0.071 16.673 -13.975 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.413 14.892 -14.777 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.825 14.552 -15.435 1.00 0.99 H new ATOM 0 HG2 LYS A 138 0.845 16.417 -16.792 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.549 17.435 -15.550 1.00 1.57 H new ATOM 0 HD2 LYS A 138 3.747 15.994 -15.992 1.00 2.09 H new ATOM 0 HD3 LYS A 138 2.966 15.590 -17.508 1.00 2.09 H new ATOM 0 HE2 LYS A 138 2.806 17.967 -18.146 1.00 2.74 H new ATOM 0 HE3 LYS A 138 3.317 18.487 -16.552 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 5.106 18.260 -18.384 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 5.461 17.610 -16.856 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 4.982 16.587 -18.123 1.00 3.43 H new ATOM 774 N ASP A 139 0.791 13.824 -12.463 1.00 0.75 N ATOM 775 CA ASP A 139 0.124 12.716 -11.716 1.00 0.78 C ATOM 776 C ASP A 139 -0.193 13.156 -10.277 1.00 0.70 C ATOM 777 O ASP A 139 -1.188 12.745 -9.707 1.00 0.81 O ATOM 778 CB ASP A 139 1.123 11.556 -11.731 1.00 0.97 C ATOM 779 CG ASP A 139 0.412 10.269 -11.313 1.00 1.16 C ATOM 780 OD1 ASP A 139 -0.268 9.693 -12.146 1.00 1.69 O ATOM 781 OD2 ASP A 139 0.549 9.888 -10.164 1.00 1.66 O ATOM 0 H ASP A 139 1.808 13.763 -12.515 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.825 12.429 -12.169 1.00 0.78 H new ATOM 0 HB2 ASP A 139 1.550 11.442 -12.728 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.950 11.765 -11.052 1.00 0.97 H new ATOM 786 N GLY A 140 0.635 13.999 -9.692 1.00 0.64 N ATOM 787 CA GLY A 140 0.372 14.479 -8.298 1.00 0.62 C ATOM 788 C GLY A 140 -0.932 15.286 -8.288 1.00 0.57 C ATOM 789 O GLY A 140 -1.756 15.141 -7.406 1.00 0.65 O ATOM 0 H GLY A 140 1.480 14.373 -10.124 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.296 13.632 -7.616 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.200 15.096 -7.949 1.00 0.62 H new ATOM 793 N ASP A 141 -1.123 16.131 -9.274 1.00 0.56 N ATOM 794 CA ASP A 141 -2.367 16.953 -9.347 1.00 0.56 C ATOM 795 C ASP A 141 -3.085 16.710 -10.684 1.00 0.58 C ATOM 796 O ASP A 141 -3.260 17.616 -11.480 1.00 0.64 O ATOM 797 CB ASP A 141 -1.886 18.409 -9.243 1.00 0.60 C ATOM 798 CG ASP A 141 -3.046 19.336 -8.854 1.00 0.75 C ATOM 799 OD1 ASP A 141 -4.086 18.836 -8.454 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.872 20.537 -8.958 1.00 1.23 O ATOM 0 H ASP A 141 -0.463 16.285 -10.036 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.077 16.703 -8.559 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.091 18.483 -8.501 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.464 18.727 -10.196 1.00 0.60 H new ATOM 805 N LYS A 142 -3.506 15.493 -10.934 1.00 0.62 N ATOM 806 CA LYS A 142 -4.217 15.191 -12.221 1.00 0.70 C ATOM 807 C LYS A 142 -5.511 16.014 -12.325 1.00 0.79 C ATOM 808 O LYS A 142 -5.934 16.376 -13.406 1.00 0.92 O ATOM 809 CB LYS A 142 -4.524 13.690 -12.183 1.00 0.79 C ATOM 810 CG LYS A 142 -3.231 12.897 -12.413 1.00 0.88 C ATOM 811 CD LYS A 142 -3.541 11.396 -12.446 1.00 1.37 C ATOM 812 CE LYS A 142 -3.888 10.904 -11.036 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.617 10.351 -10.486 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.390 14.697 -10.306 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.611 15.450 -13.089 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.961 13.422 -11.221 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.258 13.439 -12.948 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -2.768 13.203 -13.351 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.515 13.112 -11.620 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.373 11.202 -13.123 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -2.682 10.847 -12.831 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -4.262 11.719 -10.417 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -4.667 10.142 -11.066 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -2.833 9.657 -9.742 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.082 9.887 -11.248 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -2.048 11.123 -10.084 1.00 2.44 H new ATOM 827 N ASN A 143 -6.128 16.332 -11.209 1.00 0.80 N ATOM 828 CA ASN A 143 -7.375 17.158 -11.252 1.00 0.95 C ATOM 829 C ASN A 143 -7.004 18.635 -11.505 1.00 0.92 C ATOM 830 O ASN A 143 -7.796 19.400 -12.022 1.00 1.08 O ATOM 831 CB ASN A 143 -8.048 16.952 -9.878 1.00 1.07 C ATOM 832 CG ASN A 143 -7.869 18.190 -8.992 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.662 19.106 -9.046 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.858 18.257 -8.173 1.00 1.70 N ATOM 0 H ASN A 143 -5.822 16.056 -10.276 1.00 0.80 H new ATOM 0 HA ASN A 143 -8.053 16.869 -12.055 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -9.110 16.748 -10.015 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.617 16.081 -9.384 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -6.736 19.078 -7.580 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.189 17.489 -8.125 1.00 1.70 H new ATOM 841 N ASN A 144 -5.793 19.023 -11.150 1.00 0.86 N ATOM 842 CA ASN A 144 -5.320 20.430 -11.364 1.00 0.93 C ATOM 843 C ASN A 144 -6.148 21.436 -10.548 1.00 1.03 C ATOM 844 O ASN A 144 -6.923 22.206 -11.087 1.00 1.71 O ATOM 845 CB ASN A 144 -5.454 20.685 -12.870 1.00 1.08 C ATOM 846 CG ASN A 144 -4.232 21.457 -13.367 1.00 1.49 C ATOM 847 OD1 ASN A 144 -4.342 22.596 -13.774 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.060 20.884 -13.350 1.00 1.97 N ATOM 0 H ASN A 144 -5.104 18.410 -10.714 1.00 0.86 H new ATOM 0 HA ASN A 144 -4.291 20.558 -11.027 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.541 19.739 -13.404 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -6.363 21.251 -13.074 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -2.239 21.393 -13.678 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -2.965 19.928 -13.009 1.00 1.97 H new ATOM 855 N ASP A 145 -5.965 21.449 -9.252 1.00 0.88 N ATOM 856 CA ASP A 145 -6.712 22.418 -8.390 1.00 0.92 C ATOM 857 C ASP A 145 -5.788 23.573 -7.949 1.00 0.91 C ATOM 858 O ASP A 145 -6.243 24.557 -7.392 1.00 1.07 O ATOM 859 CB ASP A 145 -7.207 21.598 -7.183 1.00 0.93 C ATOM 860 CG ASP A 145 -6.042 21.190 -6.266 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.940 21.030 -6.757 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.280 21.028 -5.084 1.00 1.89 O ATOM 0 H ASP A 145 -5.329 20.829 -8.751 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.545 22.881 -8.919 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.931 22.183 -6.616 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.725 20.706 -7.535 1.00 0.93 H new ATOM 867 N GLY A 146 -4.500 23.466 -8.205 1.00 0.84 N ATOM 868 CA GLY A 146 -3.556 24.559 -7.817 1.00 0.92 C ATOM 869 C GLY A 146 -2.606 24.104 -6.697 1.00 0.66 C ATOM 870 O GLY A 146 -1.513 24.620 -6.572 1.00 0.74 O ATOM 0 H GLY A 146 -4.066 22.666 -8.666 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.975 24.867 -8.687 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -4.121 25.430 -7.486 1.00 0.92 H new ATOM 874 N ARG A 147 -3.009 23.165 -5.870 1.00 0.56 N ATOM 875 CA ARG A 147 -2.108 22.719 -4.754 1.00 0.54 C ATOM 876 C ARG A 147 -2.108 21.193 -4.603 1.00 0.46 C ATOM 877 O ARG A 147 -3.110 20.533 -4.810 1.00 0.45 O ATOM 878 CB ARG A 147 -2.691 23.363 -3.493 1.00 0.77 C ATOM 879 CG ARG A 147 -2.312 24.849 -3.436 1.00 1.39 C ATOM 880 CD ARG A 147 -3.428 25.713 -4.049 1.00 1.79 C ATOM 881 NE ARG A 147 -4.699 25.254 -3.410 1.00 2.55 N ATOM 882 CZ ARG A 147 -5.764 25.048 -4.140 1.00 2.87 C ATOM 883 NH1 ARG A 147 -6.451 26.060 -4.588 1.00 3.10 N ATOM 884 NH2 ARG A 147 -6.139 23.834 -4.420 1.00 3.37 N1+ ATOM 0 H ARG A 147 -3.912 22.693 -5.917 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.075 23.011 -4.943 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.776 23.256 -3.489 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.317 22.850 -2.607 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -2.140 25.147 -2.402 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -1.379 25.013 -3.975 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -3.254 26.771 -3.855 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.468 25.589 -5.131 1.00 1.79 H new ATOM 0 HE ARG A 147 -4.736 25.101 -2.402 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -6.158 27.012 -4.369 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -7.282 25.900 -5.158 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -5.602 23.041 -4.070 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -6.970 23.676 -4.990 1.00 3.37 H new ATOM 898 N ILE A 148 -0.991 20.632 -4.215 1.00 0.49 N ATOM 899 CA ILE A 148 -0.924 19.155 -4.021 1.00 0.44 C ATOM 900 C ILE A 148 -1.368 18.809 -2.592 1.00 0.46 C ATOM 901 O ILE A 148 -0.654 19.054 -1.636 1.00 0.63 O ATOM 902 CB ILE A 148 0.542 18.768 -4.242 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.944 19.053 -5.689 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.716 17.274 -3.963 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.338 18.473 -5.952 1.00 0.63 C ATOM 0 H ILE A 148 -0.124 21.134 -4.025 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.577 18.618 -4.709 1.00 0.44 H new ATOM 0 HB ILE A 148 1.171 19.351 -3.570 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.219 18.612 -6.373 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.944 20.127 -5.874 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.758 16.994 -4.119 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.433 17.061 -2.932 1.00 0.47 H new ATOM 0 HG23 ILE A 148 0.081 16.701 -4.639 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.627 18.675 -6.983 1.00 0.63 H new ATOM 0 HD12 ILE A 148 3.058 18.935 -5.276 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.322 17.396 -5.784 1.00 0.63 H new ATOM 917 N ASP A 149 -2.545 18.257 -2.441 1.00 0.48 N ATOM 918 CA ASP A 149 -3.042 17.911 -1.068 1.00 0.53 C ATOM 919 C ASP A 149 -2.678 16.465 -0.691 1.00 0.53 C ATOM 920 O ASP A 149 -2.167 15.706 -1.495 1.00 0.63 O ATOM 921 CB ASP A 149 -4.569 18.102 -1.113 1.00 0.58 C ATOM 922 CG ASP A 149 -5.160 17.386 -2.331 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.369 16.189 -2.247 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.385 18.048 -3.330 1.00 1.65 O ATOM 0 H ASP A 149 -3.183 18.030 -3.203 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.582 18.546 -0.310 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -5.018 17.711 -0.200 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.808 19.165 -1.156 1.00 0.58 H new ATOM 929 N TYR A 150 -2.929 16.097 0.542 1.00 0.58 N ATOM 930 CA TYR A 150 -2.598 14.715 1.023 1.00 0.60 C ATOM 931 C TYR A 150 -3.429 13.646 0.289 1.00 0.59 C ATOM 932 O TYR A 150 -2.931 12.580 -0.021 1.00 0.63 O ATOM 933 CB TYR A 150 -2.947 14.743 2.519 1.00 0.73 C ATOM 934 CG TYR A 150 -2.932 13.342 3.088 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.741 12.803 3.583 1.00 1.15 C ATOM 936 CD2 TYR A 150 -4.111 12.585 3.122 1.00 1.22 C ATOM 937 CE1 TYR A 150 -1.726 11.508 4.113 1.00 1.43 C ATOM 938 CE2 TYR A 150 -4.095 11.289 3.651 1.00 1.56 C ATOM 939 CZ TYR A 150 -2.902 10.751 4.146 1.00 1.48 C ATOM 940 OH TYR A 150 -2.884 9.473 4.664 1.00 1.96 O ATOM 0 H TYR A 150 -3.354 16.701 1.245 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.556 14.456 0.837 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -2.232 15.368 3.054 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.931 15.190 2.662 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.832 13.386 3.556 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -5.032 13.001 2.740 1.00 1.22 H new ATOM 0 HE1 TYR A 150 -0.806 11.093 4.497 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -5.003 10.705 3.677 1.00 1.56 H new ATOM 0 HH TYR A 150 -3.783 9.087 4.613 1.00 1.96 H new ATOM 950 N ASP A 151 -4.686 13.915 0.028 1.00 0.64 N ATOM 951 CA ASP A 151 -5.554 12.906 -0.666 1.00 0.70 C ATOM 952 C ASP A 151 -4.955 12.472 -2.014 1.00 0.63 C ATOM 953 O ASP A 151 -5.023 11.312 -2.379 1.00 0.77 O ATOM 954 CB ASP A 151 -6.897 13.612 -0.883 1.00 0.79 C ATOM 955 CG ASP A 151 -8.034 12.594 -0.777 1.00 1.24 C ATOM 956 OD1 ASP A 151 -8.507 12.376 0.326 1.00 1.83 O ATOM 957 OD2 ASP A 151 -8.411 12.048 -1.800 1.00 1.90 O ATOM 0 H ASP A 151 -5.151 14.791 0.266 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.652 11.997 -0.072 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -7.030 14.399 -0.141 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.914 14.091 -1.862 1.00 0.79 H new ATOM 962 N GLU A 152 -4.375 13.384 -2.759 1.00 0.54 N ATOM 963 CA GLU A 152 -3.789 13.002 -4.082 1.00 0.56 C ATOM 964 C GLU A 152 -2.352 12.477 -3.925 1.00 0.52 C ATOM 965 O GLU A 152 -1.833 11.812 -4.804 1.00 0.65 O ATOM 966 CB GLU A 152 -3.826 14.287 -4.914 1.00 0.60 C ATOM 967 CG GLU A 152 -5.044 14.245 -5.843 1.00 0.77 C ATOM 968 CD GLU A 152 -5.419 15.659 -6.289 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.903 16.099 -7.303 1.00 1.40 O ATOM 970 OE2 GLU A 152 -6.224 16.278 -5.617 1.00 1.17 O ATOM 0 H GLU A 152 -4.283 14.369 -2.510 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.345 12.194 -4.557 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.881 15.157 -4.260 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.911 14.384 -5.498 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.825 13.628 -6.714 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.887 13.783 -5.329 1.00 0.77 H new ATOM 977 N PHE A 153 -1.707 12.759 -2.816 1.00 0.46 N ATOM 978 CA PHE A 153 -0.308 12.264 -2.607 1.00 0.46 C ATOM 979 C PHE A 153 -0.272 10.729 -2.627 1.00 0.50 C ATOM 980 O PHE A 153 0.638 10.132 -3.170 1.00 0.64 O ATOM 981 CB PHE A 153 0.093 12.793 -1.231 1.00 0.49 C ATOM 982 CG PHE A 153 1.592 12.706 -1.059 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.442 13.394 -1.934 1.00 0.62 C ATOM 984 CD2 PHE A 153 2.131 11.943 -0.018 1.00 0.52 C ATOM 985 CE1 PHE A 153 3.828 13.319 -1.768 1.00 0.73 C ATOM 986 CE2 PHE A 153 3.519 11.867 0.147 1.00 0.61 C ATOM 987 CZ PHE A 153 4.366 12.555 -0.727 1.00 0.68 C ATOM 0 H PHE A 153 -2.089 13.310 -2.047 1.00 0.46 H new ATOM 0 HA PHE A 153 0.370 12.602 -3.390 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.234 13.827 -1.120 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.405 12.216 -0.452 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.026 13.983 -2.738 1.00 0.62 H new ATOM 0 HD2 PHE A 153 1.477 11.413 0.658 1.00 0.52 H new ATOM 0 HE1 PHE A 153 4.483 13.850 -2.443 1.00 0.73 H new ATOM 0 HE2 PHE A 153 3.936 11.277 0.950 1.00 0.61 H new ATOM 0 HZ PHE A 153 5.437 12.497 -0.598 1.00 0.68 H new ATOM 997 N LEU A 154 -1.262 10.092 -2.048 1.00 0.53 N ATOM 998 CA LEU A 154 -1.299 8.593 -2.039 1.00 0.62 C ATOM 999 C LEU A 154 -1.376 8.063 -3.479 1.00 0.65 C ATOM 1000 O LEU A 154 -0.775 7.058 -3.813 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.572 8.220 -1.261 1.00 0.75 C ATOM 1002 CG LEU A 154 -2.285 8.154 0.247 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -1.068 7.265 0.513 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -2.014 9.563 0.783 1.00 1.20 C ATOM 0 H LEU A 154 -2.047 10.545 -1.581 1.00 0.53 H new ATOM 0 HA LEU A 154 -0.408 8.163 -1.582 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -3.352 8.955 -1.456 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.947 7.257 -1.608 1.00 0.75 H new ATOM 0 HG LEU A 154 -3.153 7.732 0.753 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.874 7.225 1.585 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.264 6.259 0.142 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.198 7.677 0.002 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.811 9.513 1.853 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -1.152 9.988 0.270 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.887 10.193 0.609 1.00 1.20 H new ATOM 1016 N GLU A 155 -2.109 8.741 -4.330 1.00 0.69 N ATOM 1017 CA GLU A 155 -2.234 8.298 -5.755 1.00 0.81 C ATOM 1018 C GLU A 155 -0.877 8.374 -6.470 1.00 0.76 C ATOM 1019 O GLU A 155 -0.532 7.501 -7.246 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.222 9.282 -6.394 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.525 8.556 -6.749 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.334 7.729 -8.023 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.116 8.321 -9.067 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -4.408 6.515 -7.931 1.00 2.57 O ATOM 0 H GLU A 155 -2.629 9.587 -4.097 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.572 7.264 -5.828 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.428 10.102 -5.706 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.784 9.720 -7.291 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.825 7.907 -5.926 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -5.327 9.280 -6.893 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.111 9.412 -6.224 1.00 0.66 N ATOM 1032 CA PHE A 156 1.218 9.547 -6.904 1.00 0.77 C ATOM 1033 C PHE A 156 2.295 8.685 -6.222 1.00 0.71 C ATOM 1034 O PHE A 156 3.178 8.168 -6.877 1.00 0.88 O ATOM 1035 CB PHE A 156 1.586 11.035 -6.801 1.00 0.84 C ATOM 1036 CG PHE A 156 2.847 11.290 -7.602 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.099 10.945 -7.075 1.00 1.09 C ATOM 1038 CD2 PHE A 156 2.763 11.859 -8.874 1.00 1.49 C ATOM 1039 CE1 PHE A 156 5.261 11.172 -7.821 1.00 1.31 C ATOM 1040 CE2 PHE A 156 3.925 12.085 -9.620 1.00 1.72 C ATOM 1041 CZ PHE A 156 5.173 11.742 -9.094 1.00 1.53 C ATOM 0 H PHE A 156 -0.348 10.170 -5.583 1.00 0.66 H new ATOM 0 HA PHE A 156 1.161 9.206 -7.938 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.770 11.651 -7.178 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.740 11.313 -5.758 1.00 0.84 H new ATOM 0 HD1 PHE A 156 4.167 10.503 -6.092 1.00 1.09 H new ATOM 0 HD2 PHE A 156 1.800 12.125 -9.283 1.00 1.49 H new ATOM 0 HE1 PHE A 156 6.225 10.907 -7.413 1.00 1.31 H new ATOM 0 HE2 PHE A 156 3.857 12.525 -10.604 1.00 1.72 H new ATOM 0 HZ PHE A 156 6.069 11.917 -9.671 1.00 1.53 H new ATOM 1051 N MET A 157 2.244 8.542 -4.917 1.00 0.61 N ATOM 1052 CA MET A 157 3.288 7.730 -4.197 1.00 0.69 C ATOM 1053 C MET A 157 3.405 6.298 -4.755 1.00 0.83 C ATOM 1054 O MET A 157 4.392 5.625 -4.525 1.00 1.17 O ATOM 1055 CB MET A 157 2.835 7.697 -2.734 1.00 0.84 C ATOM 1056 CG MET A 157 3.357 8.941 -2.006 1.00 0.92 C ATOM 1057 SD MET A 157 5.146 9.091 -2.262 1.00 1.56 S ATOM 1058 CE MET A 157 5.621 9.389 -0.541 1.00 0.90 C ATOM 0 H MET A 157 1.527 8.951 -4.318 1.00 0.61 H new ATOM 0 HA MET A 157 4.275 8.175 -4.321 1.00 0.69 H new ATOM 0 HB2 MET A 157 1.747 7.662 -2.680 1.00 0.84 H new ATOM 0 HB3 MET A 157 3.208 6.795 -2.248 1.00 0.84 H new ATOM 0 HG2 MET A 157 2.850 9.832 -2.378 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.137 8.870 -0.941 1.00 0.92 H new ATOM 0 HE1 MET A 157 6.054 10.385 -0.450 1.00 0.90 H new ATOM 0 HE2 MET A 157 4.740 9.316 0.097 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.355 8.645 -0.232 1.00 0.90 H new ATOM 1068 N LYS A 158 2.421 5.826 -5.480 1.00 0.86 N ATOM 1069 CA LYS A 158 2.494 4.439 -6.040 1.00 1.07 C ATOM 1070 C LYS A 158 3.591 4.325 -7.116 1.00 1.36 C ATOM 1071 O LYS A 158 4.159 3.265 -7.310 1.00 1.73 O ATOM 1072 CB LYS A 158 1.112 4.185 -6.650 1.00 1.28 C ATOM 1073 CG LYS A 158 0.214 3.510 -5.610 1.00 1.66 C ATOM 1074 CD LYS A 158 -1.157 3.211 -6.225 1.00 2.24 C ATOM 1075 CE LYS A 158 -2.099 4.400 -5.992 1.00 2.85 C ATOM 1076 NZ LYS A 158 -2.130 5.138 -7.287 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.570 6.340 -5.709 1.00 0.86 H new ATOM 0 HA LYS A 158 2.748 3.709 -5.271 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.667 5.126 -6.975 1.00 1.28 H new ATOM 0 HB3 LYS A 158 1.203 3.553 -7.533 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.676 2.586 -5.262 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.099 4.157 -4.740 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -1.053 3.021 -7.293 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -1.577 2.309 -5.780 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -3.096 4.062 -5.708 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.736 5.037 -5.185 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -3.100 5.461 -7.479 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -1.496 5.960 -7.233 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -1.816 4.508 -8.053 1.00 3.52 H new ATOM 1090 N GLY A 159 3.891 5.395 -7.817 1.00 1.73 N ATOM 1091 CA GLY A 159 4.947 5.326 -8.876 1.00 2.35 C ATOM 1092 C GLY A 159 5.970 6.448 -8.679 1.00 2.13 C ATOM 1093 O GLY A 159 5.974 7.424 -9.405 1.00 2.59 O ATOM 0 H GLY A 159 3.452 6.308 -7.701 1.00 1.73 H new ATOM 0 HA2 GLY A 159 5.447 4.358 -8.838 1.00 2.35 H new ATOM 0 HA3 GLY A 159 4.489 5.411 -9.862 1.00 2.35 H new ATOM 1097 N VAL A 160 6.843 6.314 -7.709 1.00 1.87 N ATOM 1098 CA VAL A 160 7.878 7.375 -7.475 1.00 1.87 C ATOM 1099 C VAL A 160 9.275 6.744 -7.403 1.00 2.39 C ATOM 1100 O VAL A 160 9.453 5.661 -6.874 1.00 3.11 O ATOM 1101 CB VAL A 160 7.521 8.029 -6.135 1.00 1.68 C ATOM 1102 CG1 VAL A 160 8.388 9.271 -5.933 1.00 1.89 C ATOM 1103 CG2 VAL A 160 6.048 8.447 -6.127 1.00 1.76 C ATOM 0 H VAL A 160 6.885 5.520 -7.071 1.00 1.87 H new ATOM 0 HA VAL A 160 7.891 8.106 -8.283 1.00 1.87 H new ATOM 0 HB VAL A 160 7.697 7.312 -5.333 1.00 1.68 H new ATOM 0 HG11 VAL A 160 8.137 9.739 -4.981 1.00 1.89 H new ATOM 0 HG12 VAL A 160 9.440 8.984 -5.930 1.00 1.89 H new ATOM 0 HG13 VAL A 160 8.207 9.977 -6.743 1.00 1.89 H new ATOM 0 HG21 VAL A 160 5.806 8.910 -5.170 1.00 1.76 H new ATOM 0 HG22 VAL A 160 5.868 9.160 -6.931 1.00 1.76 H new ATOM 0 HG23 VAL A 160 5.420 7.568 -6.274 1.00 1.76 H new ATOM 1113 N GLU A 161 10.265 7.416 -7.933 1.00 2.52 N ATOM 1114 CA GLU A 161 11.656 6.867 -7.904 1.00 3.28 C ATOM 1115 C GLU A 161 12.583 7.796 -7.105 1.00 3.90 C ATOM 1116 O GLU A 161 13.349 7.288 -6.304 1.00 4.34 O ATOM 1117 CB GLU A 161 12.081 6.809 -9.375 1.00 3.49 C ATOM 1118 CG GLU A 161 11.302 5.701 -10.097 1.00 4.11 C ATOM 1119 CD GLU A 161 10.194 6.321 -10.954 1.00 4.29 C ATOM 1120 OE1 GLU A 161 10.508 6.831 -12.017 1.00 4.56 O ATOM 1121 OE2 GLU A 161 9.050 6.274 -10.535 1.00 4.60 O ATOM 1122 OXT GLU A 161 12.508 8.999 -7.304 1.00 4.37 O ATOM 0 H GLU A 161 10.170 8.325 -8.386 1.00 2.52 H new ATOM 0 HA GLU A 161 11.708 5.890 -7.423 1.00 3.28 H new ATOM 0 HB2 GLU A 161 11.895 7.770 -9.855 1.00 3.49 H new ATOM 0 HB3 GLU A 161 13.152 6.619 -9.447 1.00 3.49 H new ATOM 0 HG2 GLU A 161 11.977 5.119 -10.724 1.00 4.11 H new ATOM 0 HG3 GLU A 161 10.870 5.014 -9.369 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 1 3.358 25.439 0.373 1.00 0.75 CA HETATM 1131 CA CA A 2 -4.751 18.520 -5.878 1.00 0.00 CA HETATM 1132 C1 STL A 162 11.313 9.524 -3.509 1.00 20.00 C HETATM 1133 C2 STL A 162 12.091 9.551 -2.333 1.00 20.00 C HETATM 1134 C3 STL A 162 11.983 10.622 -1.442 1.00 20.00 C HETATM 1135 C4 STL A 162 11.096 11.676 -1.715 1.00 20.00 C HETATM 1136 C5 STL A 162 10.304 11.661 -2.878 1.00 20.00 C HETATM 1137 C6 STL A 162 10.419 10.589 -3.782 1.00 20.00 C HETATM 1138 C7 STL A 162 9.380 12.661 -3.168 1.00 20.00 C HETATM 1139 C8 STL A 162 8.199 12.481 -3.912 1.00 20.00 C HETATM 1140 C9 STL A 162 7.238 13.430 -4.232 1.00 20.00 C HETATM 1141 C10 STL A 162 6.959 14.549 -3.416 1.00 20.00 C HETATM 1142 C11 STL A 162 5.936 15.453 -3.791 1.00 20.00 C HETATM 1143 C12 STL A 162 5.224 15.205 -4.987 1.00 20.00 C HETATM 1144 C13 STL A 162 5.500 14.091 -5.811 1.00 20.00 C HETATM 1145 C14 STL A 162 6.518 13.199 -5.429 1.00 20.00 C HETATM 1146 O1 STL A 162 4.241 16.062 -5.355 1.00 20.00 O HETATM 1147 O2 STL A 162 12.730 10.652 -0.308 1.00 20.00 O HETATM 1148 O3 STL A 162 11.414 8.488 -4.371 1.00 20.00 O HETATM 0 HO3 STL A 162 10.592 7.955 -4.339 1.00 20.00 H new HETATM 0 HO2 STL A 162 12.530 11.469 0.194 1.00 20.00 H new HETATM 0 HO1 STL A 162 3.844 15.761 -6.199 1.00 20.00 H new HETATM 0 H8 STL A 162 8.017 11.472 -4.282 1.00 20.00 H new HETATM 0 H7 STL A 162 9.587 13.662 -2.789 1.00 20.00 H new HETATM 0 H6 STL A 162 9.820 10.578 -4.693 1.00 20.00 H new HETATM 0 H4 STL A 162 11.020 12.513 -1.020 1.00 20.00 H new HETATM 0 H2 STL A 162 12.779 8.733 -2.118 1.00 20.00 H new HETATM 0 H14 STL A 162 6.751 12.335 -6.051 1.00 20.00 H new HETATM 0 H13 STL A 162 4.933 13.926 -6.727 1.00 20.00 H new HETATM 0 H11 STL A 162 5.703 16.320 -3.172 1.00 20.00 H new HETATM 0 H10 STL A 162 7.529 14.716 -2.502 1.00 20.00 H new