USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 495 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 Single : A 98 SER OG : rot 180:sc= -0.271 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.1) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 150:sc= 0.555 (180deg=-0.794) USER MOD Single : A 120 MET CE :methyl 157:sc= -3.68 (180deg=-5.65!) USER MOD Single : A 122 GLN : amide:sc= 0.0646 X(o=0.065,f=-0.075) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 127 THR OG1 : rot -46:sc= 0.664 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.0972 USER MOD Single : A 137 MET CE :methyl -114:sc= -0.956 (180deg=-6.06!) USER MOD Single : A 138 LYS NZ :NH3+ 170:sc= 0.0857 (180deg=0.0644) USER MOD Single : A 142 LYS NZ :NH3+ -146:sc= 0.931 (180deg=-0.42) USER MOD Single : A 143 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.11) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -150:sc= -0.389 (180deg=-2.77!) USER MOD Single : A 158 LYS NZ :NH3+ -158:sc= 0.974 (180deg=0.849) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU A 94 3.505 4.361 3.188 1.00 1.26 N ATOM 61 CA GLU A 94 2.834 5.472 3.942 1.00 1.17 C ATOM 62 C GLU A 94 3.547 5.770 5.276 1.00 1.12 C ATOM 63 O GLU A 94 3.242 6.749 5.933 1.00 1.09 O ATOM 64 CB GLU A 94 1.402 4.987 4.181 1.00 1.33 C ATOM 65 CG GLU A 94 0.438 5.821 3.327 1.00 1.28 C ATOM 66 CD GLU A 94 0.377 5.252 1.907 1.00 1.44 C ATOM 67 OE1 GLU A 94 1.182 5.664 1.089 1.00 1.94 O ATOM 68 OE2 GLU A 94 -0.482 4.422 1.658 1.00 2.09 O ATOM 0 HA GLU A 94 2.862 6.406 3.381 1.00 1.17 H new ATOM 0 HB2 GLU A 94 1.315 3.931 3.923 1.00 1.33 H new ATOM 0 HB3 GLU A 94 1.145 5.080 5.236 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.556 5.815 3.774 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.768 6.859 3.299 1.00 1.28 H new ATOM 75 N GLU A 95 4.499 4.954 5.681 1.00 1.19 N ATOM 76 CA GLU A 95 5.220 5.227 6.965 1.00 1.23 C ATOM 77 C GLU A 95 6.160 6.433 6.777 1.00 1.03 C ATOM 78 O GLU A 95 6.256 7.292 7.633 1.00 1.01 O ATOM 79 CB GLU A 95 5.970 3.915 7.300 1.00 1.45 C ATOM 80 CG GLU A 95 7.475 4.011 6.988 1.00 1.90 C ATOM 81 CD GLU A 95 7.762 3.422 5.603 1.00 2.12 C ATOM 82 OE1 GLU A 95 7.109 3.827 4.659 1.00 2.66 O ATOM 83 OE2 GLU A 95 8.638 2.579 5.510 1.00 2.49 O ATOM 0 H GLU A 95 4.803 4.119 5.180 1.00 1.19 H new ATOM 0 HA GLU A 95 4.558 5.494 7.789 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.834 3.680 8.355 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.534 3.094 6.731 1.00 1.45 H new ATOM 0 HG2 GLU A 95 7.796 5.052 7.023 1.00 1.90 H new ATOM 0 HG3 GLU A 95 8.047 3.475 7.746 1.00 1.90 H new ATOM 90 N GLU A 96 6.822 6.516 5.648 1.00 1.02 N ATOM 91 CA GLU A 96 7.724 7.679 5.378 1.00 0.94 C ATOM 92 C GLU A 96 6.947 8.738 4.586 1.00 0.79 C ATOM 93 O GLU A 96 7.175 9.923 4.728 1.00 0.82 O ATOM 94 CB GLU A 96 8.878 7.111 4.549 1.00 1.15 C ATOM 95 CG GLU A 96 10.083 8.055 4.635 1.00 1.62 C ATOM 96 CD GLU A 96 11.380 7.243 4.611 1.00 1.99 C ATOM 97 OE1 GLU A 96 11.606 6.547 3.635 1.00 2.78 O ATOM 98 OE2 GLU A 96 12.131 7.334 5.566 1.00 2.18 O ATOM 0 H GLU A 96 6.776 5.825 4.899 1.00 1.02 H new ATOM 0 HA GLU A 96 8.092 8.154 6.288 1.00 0.94 H new ATOM 0 HB2 GLU A 96 9.151 6.122 4.916 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.569 6.992 3.510 1.00 1.15 H new ATOM 0 HG2 GLU A 96 10.067 8.757 3.801 1.00 1.62 H new ATOM 0 HG3 GLU A 96 10.030 8.645 5.550 1.00 1.62 H new ATOM 105 N LEU A 97 6.019 8.300 3.763 1.00 0.77 N ATOM 106 CA LEU A 97 5.182 9.242 2.952 1.00 0.71 C ATOM 107 C LEU A 97 4.649 10.383 3.827 1.00 0.67 C ATOM 108 O LEU A 97 4.711 11.541 3.457 1.00 0.75 O ATOM 109 CB LEU A 97 4.014 8.377 2.455 1.00 0.80 C ATOM 110 CG LEU A 97 3.979 8.342 0.927 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.548 9.709 0.398 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.368 7.986 0.386 1.00 1.22 C ATOM 0 H LEU A 97 5.805 7.313 3.618 1.00 0.77 H new ATOM 0 HA LEU A 97 5.747 9.702 2.141 1.00 0.71 H new ATOM 0 HB2 LEU A 97 4.114 7.364 2.845 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.073 8.774 2.836 1.00 0.80 H new ATOM 0 HG LEU A 97 3.266 7.587 0.596 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.522 9.686 -0.691 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.556 9.950 0.779 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.258 10.467 0.728 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.339 7.962 -0.703 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.089 8.735 0.713 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.665 7.007 0.763 1.00 1.22 H new ATOM 124 N SER A 98 4.126 10.057 4.984 1.00 0.69 N ATOM 125 CA SER A 98 3.582 11.111 5.894 1.00 0.76 C ATOM 126 C SER A 98 4.703 12.062 6.345 1.00 0.72 C ATOM 127 O SER A 98 4.562 13.270 6.275 1.00 0.77 O ATOM 128 CB SER A 98 2.993 10.345 7.084 1.00 0.92 C ATOM 129 OG SER A 98 4.042 9.755 7.844 1.00 1.57 O ATOM 0 H SER A 98 4.053 9.103 5.338 1.00 0.69 H new ATOM 0 HA SER A 98 2.831 11.732 5.406 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.412 11.021 7.712 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.310 9.573 6.729 1.00 0.92 H new ATOM 0 HG SER A 98 3.661 9.268 8.604 1.00 1.57 H new ATOM 135 N ASP A 99 5.814 11.527 6.793 1.00 0.80 N ATOM 136 CA ASP A 99 6.950 12.397 7.237 1.00 0.86 C ATOM 137 C ASP A 99 7.485 13.221 6.054 1.00 0.81 C ATOM 138 O ASP A 99 7.802 14.387 6.197 1.00 0.91 O ATOM 139 CB ASP A 99 8.016 11.424 7.751 1.00 1.02 C ATOM 140 CG ASP A 99 9.228 12.203 8.263 1.00 1.23 C ATOM 141 OD1 ASP A 99 10.110 12.481 7.467 1.00 1.79 O ATOM 142 OD2 ASP A 99 9.254 12.513 9.443 1.00 1.83 O ATOM 0 H ASP A 99 5.983 10.524 6.870 1.00 0.80 H new ATOM 0 HA ASP A 99 6.650 13.111 8.004 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.604 10.809 8.551 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.319 10.747 6.952 1.00 1.02 H new ATOM 147 N LEU A 100 7.575 12.626 4.886 1.00 0.75 N ATOM 148 CA LEU A 100 8.075 13.377 3.690 1.00 0.76 C ATOM 149 C LEU A 100 7.189 14.607 3.442 1.00 0.68 C ATOM 150 O LEU A 100 7.679 15.704 3.268 1.00 0.79 O ATOM 151 CB LEU A 100 7.978 12.387 2.520 1.00 0.86 C ATOM 152 CG LEU A 100 9.117 12.642 1.525 1.00 0.79 C ATOM 153 CD1 LEU A 100 10.324 11.777 1.894 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.654 12.280 0.110 1.00 1.41 C ATOM 0 H LEU A 100 7.324 11.653 4.710 1.00 0.75 H new ATOM 0 HA LEU A 100 9.095 13.739 3.821 1.00 0.76 H new ATOM 0 HB2 LEU A 100 8.031 11.364 2.892 1.00 0.86 H new ATOM 0 HB3 LEU A 100 7.016 12.495 2.020 1.00 0.86 H new ATOM 0 HG LEU A 100 9.396 13.695 1.562 1.00 0.79 H new ATOM 0 HD11 LEU A 100 11.132 11.959 1.186 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.659 12.030 2.900 1.00 1.41 H new ATOM 0 HD13 LEU A 100 10.042 10.725 1.859 1.00 1.41 H new ATOM 0 HD21 LEU A 100 9.465 12.462 -0.596 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.374 11.227 0.077 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.794 12.893 -0.159 1.00 1.41 H new ATOM 166 N PHE A 101 5.888 14.432 3.445 1.00 0.60 N ATOM 167 CA PHE A 101 4.959 15.593 3.230 1.00 0.59 C ATOM 168 C PHE A 101 5.145 16.630 4.347 1.00 0.60 C ATOM 169 O PHE A 101 5.139 17.823 4.108 1.00 0.72 O ATOM 170 CB PHE A 101 3.557 14.980 3.291 1.00 0.61 C ATOM 171 CG PHE A 101 2.526 15.980 2.825 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.957 16.884 3.731 1.00 0.68 C ATOM 173 CD2 PHE A 101 2.127 15.988 1.486 1.00 0.86 C ATOM 174 CE1 PHE A 101 0.991 17.797 3.291 1.00 0.73 C ATOM 175 CE2 PHE A 101 1.160 16.895 1.048 1.00 0.90 C ATOM 176 CZ PHE A 101 0.592 17.802 1.949 1.00 0.69 C ATOM 0 H PHE A 101 5.427 13.534 3.587 1.00 0.60 H new ATOM 0 HA PHE A 101 5.141 16.108 2.287 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.516 14.087 2.667 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.334 14.666 4.311 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.263 16.877 4.767 1.00 0.68 H new ATOM 0 HD2 PHE A 101 2.567 15.291 0.788 1.00 0.86 H new ATOM 0 HE1 PHE A 101 0.554 18.498 3.987 1.00 0.73 H new ATOM 0 HE2 PHE A 101 0.850 16.896 0.013 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.154 18.506 1.610 1.00 0.69 H new ATOM 186 N ARG A 102 5.321 16.171 5.562 1.00 0.67 N ATOM 187 CA ARG A 102 5.523 17.098 6.721 1.00 0.76 C ATOM 188 C ARG A 102 6.803 17.937 6.524 1.00 0.68 C ATOM 189 O ARG A 102 6.871 19.080 6.930 1.00 0.78 O ATOM 190 CB ARG A 102 5.654 16.154 7.927 1.00 0.99 C ATOM 191 CG ARG A 102 5.916 16.944 9.212 1.00 1.30 C ATOM 192 CD ARG A 102 6.908 16.167 10.087 1.00 1.45 C ATOM 193 NE ARG A 102 8.257 16.649 9.672 1.00 2.12 N ATOM 194 CZ ARG A 102 9.227 15.796 9.511 1.00 2.71 C ATOM 195 NH1 ARG A 102 9.392 15.213 8.359 1.00 3.07 N ATOM 196 NH2 ARG A 102 10.031 15.532 10.502 1.00 3.37 N1+ ATOM 0 H ARG A 102 5.334 15.180 5.804 1.00 0.67 H new ATOM 0 HA ARG A 102 4.711 17.815 6.843 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.742 15.567 8.036 1.00 0.99 H new ATOM 0 HB3 ARG A 102 6.468 15.449 7.756 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.317 17.929 8.973 1.00 1.30 H new ATOM 0 HG3 ARG A 102 4.983 17.103 9.752 1.00 1.30 H new ATOM 0 HD2 ARG A 102 6.731 16.356 11.146 1.00 1.45 H new ATOM 0 HD3 ARG A 102 6.810 15.092 9.934 1.00 1.45 H new ATOM 0 HE ARG A 102 8.419 17.644 9.515 1.00 2.12 H new ATOM 0 HH11 ARG A 102 8.762 15.425 7.585 1.00 3.07 H new ATOM 0 HH12 ARG A 102 10.151 14.544 8.230 1.00 3.07 H new ATOM 0 HH21 ARG A 102 9.900 15.993 11.402 1.00 3.37 H new ATOM 0 HH22 ARG A 102 10.792 14.864 10.378 1.00 3.37 H new ATOM 210 N MET A 103 7.813 17.374 5.904 1.00 0.71 N ATOM 211 CA MET A 103 9.089 18.131 5.678 1.00 0.75 C ATOM 212 C MET A 103 9.135 18.768 4.277 1.00 0.68 C ATOM 213 O MET A 103 10.061 19.491 3.956 1.00 0.83 O ATOM 214 CB MET A 103 10.192 17.081 5.810 1.00 0.93 C ATOM 215 CG MET A 103 11.554 17.771 5.898 1.00 1.27 C ATOM 216 SD MET A 103 12.306 17.415 7.506 1.00 1.82 S ATOM 217 CE MET A 103 13.777 18.450 7.301 1.00 2.43 C ATOM 0 H MET A 103 7.810 16.420 5.543 1.00 0.71 H new ATOM 0 HA MET A 103 9.193 18.951 6.388 1.00 0.75 H new ATOM 0 HB2 MET A 103 10.024 16.473 6.699 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.170 16.407 4.954 1.00 0.93 H new ATOM 0 HG2 MET A 103 12.203 17.422 5.095 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.438 18.847 5.769 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.398 18.381 8.194 1.00 2.43 H new ATOM 0 HE2 MET A 103 14.345 18.107 6.436 1.00 2.43 H new ATOM 0 HE3 MET A 103 13.475 19.486 7.149 1.00 2.43 H new ATOM 227 N PHE A 104 8.173 18.491 3.429 1.00 0.68 N ATOM 228 CA PHE A 104 8.207 19.069 2.051 1.00 0.79 C ATOM 229 C PHE A 104 7.413 20.378 1.966 1.00 0.71 C ATOM 230 O PHE A 104 7.798 21.278 1.248 1.00 0.88 O ATOM 231 CB PHE A 104 7.598 17.989 1.151 1.00 0.94 C ATOM 232 CG PHE A 104 8.697 17.083 0.632 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.682 16.595 1.504 1.00 2.03 C ATOM 234 CD2 PHE A 104 8.732 16.733 -0.721 1.00 1.26 C ATOM 235 CE1 PHE A 104 10.695 15.761 1.023 1.00 2.65 C ATOM 236 CE2 PHE A 104 9.747 15.896 -1.202 1.00 1.86 C ATOM 237 CZ PHE A 104 10.727 15.410 -0.331 1.00 2.56 C ATOM 0 H PHE A 104 7.371 17.893 3.631 1.00 0.68 H new ATOM 0 HA PHE A 104 9.222 19.326 1.749 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.865 17.406 1.709 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.069 18.451 0.317 1.00 0.94 H new ATOM 0 HD1 PHE A 104 9.657 16.865 2.550 1.00 2.03 H new ATOM 0 HD2 PHE A 104 7.976 17.108 -1.395 1.00 1.26 H new ATOM 0 HE1 PHE A 104 11.453 15.388 1.696 1.00 2.65 H new ATOM 0 HE2 PHE A 104 9.773 15.626 -2.247 1.00 1.86 H new ATOM 0 HZ PHE A 104 11.508 14.764 -0.703 1.00 2.56 H new ATOM 247 N ASP A 105 6.321 20.505 2.685 1.00 0.61 N ATOM 248 CA ASP A 105 5.535 21.782 2.616 1.00 0.60 C ATOM 249 C ASP A 105 6.329 22.930 3.264 1.00 0.56 C ATOM 250 O ASP A 105 6.098 23.301 4.400 1.00 0.63 O ATOM 251 CB ASP A 105 4.230 21.514 3.379 1.00 0.68 C ATOM 252 CG ASP A 105 3.145 22.471 2.876 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.068 23.573 3.389 1.00 0.84 O ATOM 254 OD2 ASP A 105 2.416 22.092 1.977 1.00 1.45 O ATOM 0 H ASP A 105 5.944 19.791 3.308 1.00 0.61 H new ATOM 0 HA ASP A 105 5.333 22.080 1.587 1.00 0.60 H new ATOM 0 HB2 ASP A 105 3.916 20.481 3.233 1.00 0.68 H new ATOM 0 HB3 ASP A 105 4.386 21.652 4.449 1.00 0.68 H new ATOM 259 N LYS A 106 7.264 23.494 2.537 1.00 0.59 N ATOM 260 CA LYS A 106 8.084 24.621 3.086 1.00 0.66 C ATOM 261 C LYS A 106 7.211 25.867 3.283 1.00 0.55 C ATOM 262 O LYS A 106 7.459 26.674 4.158 1.00 0.63 O ATOM 263 CB LYS A 106 9.157 24.880 2.023 1.00 0.87 C ATOM 264 CG LYS A 106 10.275 25.749 2.606 1.00 1.21 C ATOM 265 CD LYS A 106 10.942 26.545 1.479 1.00 1.61 C ATOM 266 CE LYS A 106 12.142 27.317 2.034 1.00 1.77 C ATOM 267 NZ LYS A 106 13.137 27.339 0.923 1.00 2.14 N1+ ATOM 0 H LYS A 106 7.496 23.221 1.582 1.00 0.59 H new ATOM 0 HA LYS A 106 8.518 24.382 4.057 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.567 23.934 1.671 1.00 0.87 H new ATOM 0 HB3 LYS A 106 8.713 25.376 1.160 1.00 0.87 H new ATOM 0 HG2 LYS A 106 9.869 26.429 3.355 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.012 25.123 3.109 1.00 1.21 H new ATOM 0 HD2 LYS A 106 11.266 25.870 0.687 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.226 27.237 1.036 1.00 1.61 H new ATOM 0 HE2 LYS A 106 11.859 28.327 2.329 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.550 26.829 2.919 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 13.988 27.852 1.229 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 13.394 26.364 0.668 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 12.724 27.816 0.096 1.00 2.14 H new ATOM 281 N ASN A 107 6.185 26.019 2.480 1.00 0.48 N ATOM 282 CA ASN A 107 5.287 27.208 2.620 1.00 0.50 C ATOM 283 C ASN A 107 4.495 27.127 3.943 1.00 0.58 C ATOM 284 O ASN A 107 4.040 28.129 4.457 1.00 0.70 O ATOM 285 CB ASN A 107 4.352 27.135 1.413 1.00 0.54 C ATOM 286 CG ASN A 107 3.559 28.434 1.266 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.053 29.505 1.554 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.338 28.378 0.814 1.00 0.78 N ATOM 0 H ASN A 107 5.931 25.371 1.734 1.00 0.48 H new ATOM 0 HA ASN A 107 5.838 28.148 2.648 1.00 0.50 H new ATOM 0 HB2 ASN A 107 4.931 26.952 0.508 1.00 0.54 H new ATOM 0 HB3 ASN A 107 3.667 26.295 1.528 1.00 0.54 H new ATOM 0 HD21 ASN A 107 1.796 29.235 0.702 1.00 0.78 H new ATOM 0 HD22 ASN A 107 1.924 27.477 0.572 1.00 0.78 H new ATOM 295 N ALA A 108 4.352 25.935 4.496 1.00 0.65 N ATOM 296 CA ALA A 108 3.619 25.746 5.796 1.00 0.84 C ATOM 297 C ALA A 108 2.120 26.082 5.674 1.00 0.78 C ATOM 298 O ALA A 108 1.697 27.191 5.942 1.00 0.96 O ATOM 299 CB ALA A 108 4.316 26.679 6.795 1.00 1.03 C ATOM 0 H ALA A 108 4.720 25.074 4.092 1.00 0.65 H new ATOM 0 HA ALA A 108 3.653 24.705 6.116 1.00 0.84 H new ATOM 0 HB1 ALA A 108 3.834 26.595 7.769 1.00 1.03 H new ATOM 0 HB2 ALA A 108 5.365 26.398 6.884 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.245 27.708 6.443 1.00 1.03 H new ATOM 305 N ASP A 109 1.316 25.115 5.288 1.00 0.73 N ATOM 306 CA ASP A 109 -0.165 25.347 5.163 1.00 0.74 C ATOM 307 C ASP A 109 -0.915 24.021 4.898 1.00 0.78 C ATOM 308 O ASP A 109 -2.059 23.869 5.287 1.00 0.96 O ATOM 309 CB ASP A 109 -0.346 26.327 3.993 1.00 0.72 C ATOM 310 CG ASP A 109 0.495 25.888 2.798 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.020 25.073 2.034 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.603 26.374 2.668 1.00 1.95 O ATOM 0 H ASP A 109 1.622 24.171 5.053 1.00 0.73 H new ATOM 0 HA ASP A 109 -0.580 25.753 6.086 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -1.397 26.374 3.709 1.00 0.72 H new ATOM 0 HB3 ASP A 109 -0.054 27.331 4.302 1.00 0.72 H new ATOM 317 N GLY A 110 -0.287 23.062 4.249 1.00 0.76 N ATOM 318 CA GLY A 110 -0.971 21.756 3.974 1.00 0.85 C ATOM 319 C GLY A 110 -1.121 21.531 2.463 1.00 0.70 C ATOM 320 O GLY A 110 -1.264 20.411 2.013 1.00 0.73 O ATOM 0 H GLY A 110 0.669 23.130 3.899 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.398 20.940 4.413 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.953 21.747 4.448 1.00 0.85 H new ATOM 324 N TYR A 111 -1.089 22.578 1.678 1.00 0.68 N ATOM 325 CA TYR A 111 -1.226 22.416 0.197 1.00 0.60 C ATOM 326 C TYR A 111 0.094 22.792 -0.479 1.00 0.58 C ATOM 327 O TYR A 111 0.609 23.873 -0.292 1.00 0.83 O ATOM 328 CB TYR A 111 -2.344 23.383 -0.198 1.00 0.68 C ATOM 329 CG TYR A 111 -3.580 23.074 0.613 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.761 23.675 1.868 1.00 0.71 C ATOM 331 CD2 TYR A 111 -4.541 22.187 0.115 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.905 23.387 2.620 1.00 0.78 C ATOM 333 CE2 TYR A 111 -5.684 21.901 0.869 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.868 22.502 2.120 1.00 0.80 C ATOM 335 OH TYR A 111 -6.996 22.218 2.860 1.00 0.90 O ATOM 0 H TYR A 111 -0.974 23.540 1.998 1.00 0.68 H new ATOM 0 HA TYR A 111 -1.458 21.394 -0.103 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -2.029 24.412 -0.024 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -2.561 23.291 -1.262 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -3.019 24.359 2.253 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -4.400 21.724 -0.850 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -5.045 23.848 3.587 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -6.425 21.216 0.486 1.00 0.83 H new ATOM 0 HH TYR A 111 -7.561 21.587 2.367 1.00 0.90 H new ATOM 345 N ILE A 112 0.655 21.904 -1.249 1.00 0.50 N ATOM 346 CA ILE A 112 1.962 22.204 -1.909 1.00 0.50 C ATOM 347 C ILE A 112 1.766 22.806 -3.305 1.00 0.49 C ATOM 348 O ILE A 112 0.972 22.333 -4.094 1.00 0.66 O ATOM 349 CB ILE A 112 2.669 20.850 -1.985 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.073 20.420 -0.568 1.00 0.62 C ATOM 351 CG2 ILE A 112 3.915 20.966 -2.869 1.00 0.58 C ATOM 352 CD1 ILE A 112 3.622 18.995 -0.594 1.00 0.66 C ATOM 0 H ILE A 112 0.268 20.982 -1.452 1.00 0.50 H new ATOM 0 HA ILE A 112 2.539 22.945 -1.355 1.00 0.50 H new ATOM 0 HB ILE A 112 1.999 20.107 -2.417 1.00 0.50 H new ATOM 0 HG12 ILE A 112 3.826 21.102 -0.172 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.212 20.475 0.098 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.416 19.999 -2.921 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.622 21.277 -3.872 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.595 21.705 -2.444 1.00 0.58 H new ATOM 0 HD11 ILE A 112 3.907 18.696 0.415 1.00 0.66 H new ATOM 0 HD12 ILE A 112 2.856 18.317 -0.971 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.495 18.953 -1.245 1.00 0.66 H new ATOM 364 N ASP A 113 2.503 23.842 -3.611 1.00 0.47 N ATOM 365 CA ASP A 113 2.388 24.485 -4.954 1.00 0.50 C ATOM 366 C ASP A 113 3.585 24.083 -5.831 1.00 0.50 C ATOM 367 O ASP A 113 4.552 23.519 -5.353 1.00 0.57 O ATOM 368 CB ASP A 113 2.395 25.991 -4.669 1.00 0.60 C ATOM 369 CG ASP A 113 1.178 26.354 -3.811 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.101 26.477 -4.367 1.00 1.77 O ATOM 371 OD2 ASP A 113 1.344 26.497 -2.610 1.00 1.85 O ATOM 0 H ASP A 113 3.183 24.273 -2.985 1.00 0.47 H new ATOM 0 HA ASP A 113 1.490 24.182 -5.492 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.314 26.270 -4.153 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.373 26.549 -5.605 1.00 0.60 H new ATOM 376 N LEU A 114 3.522 24.363 -7.112 1.00 0.52 N ATOM 377 CA LEU A 114 4.651 23.991 -8.034 1.00 0.57 C ATOM 378 C LEU A 114 5.988 24.581 -7.558 1.00 0.63 C ATOM 379 O LEU A 114 7.038 24.003 -7.774 1.00 0.80 O ATOM 380 CB LEU A 114 4.274 24.584 -9.395 1.00 0.62 C ATOM 381 CG LEU A 114 3.396 23.599 -10.170 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.488 24.373 -11.127 1.00 0.91 C ATOM 383 CD2 LEU A 114 4.287 22.650 -10.977 1.00 0.81 C ATOM 0 H LEU A 114 2.737 24.834 -7.562 1.00 0.52 H new ATOM 0 HA LEU A 114 4.786 22.910 -8.070 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.743 25.526 -9.256 1.00 0.62 H new ATOM 0 HB3 LEU A 114 5.175 24.807 -9.966 1.00 0.62 H new ATOM 0 HG LEU A 114 2.788 23.025 -9.471 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.862 23.673 -11.680 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.856 25.054 -10.558 1.00 0.91 H new ATOM 0 HD13 LEU A 114 3.099 24.944 -11.826 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.663 21.947 -11.530 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.892 23.226 -11.677 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.940 22.100 -10.300 1.00 0.81 H new ATOM 395 N ASP A 115 5.959 25.727 -6.924 1.00 0.61 N ATOM 396 CA ASP A 115 7.225 26.364 -6.447 1.00 0.71 C ATOM 397 C ASP A 115 7.896 25.518 -5.352 1.00 0.65 C ATOM 398 O ASP A 115 9.103 25.360 -5.340 1.00 0.89 O ATOM 399 CB ASP A 115 6.792 27.721 -5.888 1.00 0.80 C ATOM 400 CG ASP A 115 8.007 28.643 -5.794 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.311 29.288 -6.782 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.619 28.680 -4.741 1.00 1.76 O ATOM 0 H ASP A 115 5.109 26.251 -6.716 1.00 0.61 H new ATOM 0 HA ASP A 115 7.958 26.458 -7.248 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.033 28.166 -6.531 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.341 27.594 -4.904 1.00 0.80 H new ATOM 407 N GLU A 116 7.130 24.980 -4.437 1.00 0.51 N ATOM 408 CA GLU A 116 7.731 24.151 -3.342 1.00 0.48 C ATOM 409 C GLU A 116 8.134 22.762 -3.868 1.00 0.49 C ATOM 410 O GLU A 116 9.106 22.184 -3.423 1.00 0.63 O ATOM 411 CB GLU A 116 6.639 24.010 -2.272 1.00 0.48 C ATOM 412 CG GLU A 116 6.044 25.373 -1.915 1.00 0.57 C ATOM 413 CD GLU A 116 4.867 25.154 -0.967 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.089 24.636 0.116 1.00 1.19 O ATOM 415 OE2 GLU A 116 3.761 25.495 -1.340 1.00 1.36 O ATOM 0 H GLU A 116 6.115 25.077 -4.399 1.00 0.51 H new ATOM 0 HA GLU A 116 8.632 24.619 -2.944 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.852 23.349 -2.635 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.058 23.546 -1.379 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.798 26.004 -1.444 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.714 25.890 -2.816 1.00 0.57 H new ATOM 422 N LEU A 117 7.384 22.224 -4.804 1.00 0.48 N ATOM 423 CA LEU A 117 7.700 20.861 -5.360 1.00 0.52 C ATOM 424 C LEU A 117 9.169 20.738 -5.815 1.00 0.58 C ATOM 425 O LEU A 117 9.737 19.662 -5.791 1.00 0.69 O ATOM 426 CB LEU A 117 6.782 20.696 -6.581 1.00 0.55 C ATOM 427 CG LEU A 117 5.313 20.574 -6.153 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.419 20.726 -7.385 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.064 19.201 -5.528 1.00 0.53 C ATOM 0 H LEU A 117 6.562 22.671 -5.210 1.00 0.48 H new ATOM 0 HA LEU A 117 7.546 20.099 -4.596 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.900 21.550 -7.247 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.075 19.810 -7.144 1.00 0.55 H new ATOM 0 HG LEU A 117 5.086 21.351 -5.423 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.374 20.640 -7.089 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.589 21.702 -7.839 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.657 19.944 -8.106 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.019 19.122 -5.227 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.291 18.423 -6.257 1.00 0.53 H new ATOM 0 HD23 LEU A 117 5.704 19.078 -4.654 1.00 0.53 H new ATOM 441 N LYS A 118 9.773 21.810 -6.266 1.00 0.59 N ATOM 442 CA LYS A 118 11.188 21.730 -6.770 1.00 0.69 C ATOM 443 C LYS A 118 12.248 22.038 -5.688 1.00 0.64 C ATOM 444 O LYS A 118 13.430 21.881 -5.927 1.00 0.73 O ATOM 445 CB LYS A 118 11.249 22.779 -7.890 1.00 0.83 C ATOM 446 CG LYS A 118 11.549 24.165 -7.298 1.00 0.99 C ATOM 447 CD LYS A 118 10.790 25.243 -8.077 1.00 1.35 C ATOM 448 CE LYS A 118 11.444 26.610 -7.829 1.00 1.51 C ATOM 449 NZ LYS A 118 10.507 27.338 -6.926 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.352 22.738 -6.309 1.00 0.59 H new ATOM 0 HA LYS A 118 11.421 20.718 -7.101 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.020 22.508 -8.611 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.302 22.802 -8.429 1.00 0.83 H new ATOM 0 HG2 LYS A 118 11.259 24.191 -6.248 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.620 24.362 -7.338 1.00 0.99 H new ATOM 0 HD2 LYS A 118 10.799 25.011 -9.142 1.00 1.35 H new ATOM 0 HD3 LYS A 118 9.746 25.265 -7.765 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.426 26.498 -7.369 1.00 1.51 H new ATOM 0 HE3 LYS A 118 11.589 27.152 -8.764 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 11.044 27.995 -6.325 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 9.821 27.873 -7.496 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.001 26.655 -6.327 1.00 1.99 H new ATOM 463 N ILE A 119 11.859 22.514 -4.532 1.00 0.68 N ATOM 464 CA ILE A 119 12.879 22.869 -3.485 1.00 0.74 C ATOM 465 C ILE A 119 13.322 21.653 -2.641 1.00 0.75 C ATOM 466 O ILE A 119 14.428 21.629 -2.134 1.00 0.85 O ATOM 467 CB ILE A 119 12.177 23.917 -2.611 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.182 25.267 -3.336 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.903 24.064 -1.269 1.00 1.08 C ATOM 470 CD1 ILE A 119 10.921 26.049 -2.972 1.00 1.06 C ATOM 0 H ILE A 119 10.888 22.673 -4.264 1.00 0.68 H new ATOM 0 HA ILE A 119 13.799 23.237 -3.940 1.00 0.74 H new ATOM 0 HB ILE A 119 11.152 23.595 -2.428 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.068 25.837 -3.058 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.228 25.112 -4.414 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.394 24.811 -0.660 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.901 23.107 -0.747 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.932 24.379 -1.444 1.00 1.08 H new ATOM 0 HD11 ILE A 119 10.926 27.009 -3.489 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.041 25.480 -3.272 1.00 1.06 H new ATOM 0 HD13 ILE A 119 10.895 26.217 -1.895 1.00 1.06 H new ATOM 482 N MET A 120 12.481 20.665 -2.460 1.00 0.85 N ATOM 483 CA MET A 120 12.880 19.484 -1.616 1.00 1.01 C ATOM 484 C MET A 120 13.775 18.504 -2.389 1.00 0.95 C ATOM 485 O MET A 120 14.706 17.947 -1.836 1.00 1.11 O ATOM 486 CB MET A 120 11.566 18.815 -1.215 1.00 1.17 C ATOM 487 CG MET A 120 11.082 19.412 0.104 1.00 1.52 C ATOM 488 SD MET A 120 10.358 21.039 -0.207 1.00 1.88 S ATOM 489 CE MET A 120 8.954 20.473 -1.199 1.00 1.43 C ATOM 0 H MET A 120 11.541 20.620 -2.854 1.00 0.85 H new ATOM 0 HA MET A 120 13.465 19.798 -0.752 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.816 18.963 -1.992 1.00 1.17 H new ATOM 0 HB3 MET A 120 11.708 17.739 -1.111 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.344 18.755 0.565 1.00 1.52 H new ATOM 0 HG3 MET A 120 11.913 19.499 0.804 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.160 21.219 -1.165 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.272 20.329 -2.231 1.00 1.43 H new ATOM 0 HE3 MET A 120 8.583 19.529 -0.799 1.00 1.43 H new ATOM 499 N LEU A 121 13.509 18.289 -3.655 1.00 0.87 N ATOM 500 CA LEU A 121 14.358 17.342 -4.452 1.00 0.95 C ATOM 501 C LEU A 121 15.824 17.815 -4.488 1.00 0.87 C ATOM 502 O LEU A 121 16.718 17.044 -4.781 1.00 0.97 O ATOM 503 CB LEU A 121 13.749 17.340 -5.856 1.00 1.09 C ATOM 504 CG LEU A 121 12.587 16.344 -5.899 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.520 16.838 -6.875 1.00 2.03 C ATOM 506 CD2 LEU A 121 13.105 14.979 -6.360 1.00 1.80 C ATOM 0 H LEU A 121 12.745 18.725 -4.171 1.00 0.87 H new ATOM 0 HA LEU A 121 14.371 16.343 -4.015 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.397 18.339 -6.114 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.505 17.068 -6.593 1.00 1.09 H new ATOM 0 HG LEU A 121 12.151 16.254 -4.904 1.00 1.41 H new ATOM 0 HD11 LEU A 121 10.695 16.126 -6.903 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.150 17.810 -6.548 1.00 2.03 H new ATOM 0 HD13 LEU A 121 11.953 16.931 -7.871 1.00 2.03 H new ATOM 0 HD21 LEU A 121 12.279 14.268 -6.391 1.00 1.80 H new ATOM 0 HD22 LEU A 121 13.541 15.072 -7.354 1.00 1.80 H new ATOM 0 HD23 LEU A 121 13.864 14.623 -5.663 1.00 1.80 H new ATOM 518 N GLN A 122 16.074 19.070 -4.181 1.00 0.82 N ATOM 519 CA GLN A 122 17.479 19.599 -4.182 1.00 0.95 C ATOM 520 C GLN A 122 18.385 18.780 -3.242 1.00 1.04 C ATOM 521 O GLN A 122 19.588 18.746 -3.414 1.00 1.19 O ATOM 522 CB GLN A 122 17.358 21.042 -3.682 1.00 1.14 C ATOM 523 CG GLN A 122 16.844 21.935 -4.818 1.00 1.42 C ATOM 524 CD GLN A 122 18.027 22.479 -5.621 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.879 23.160 -5.087 1.00 2.44 O ATOM 526 NE2 GLN A 122 18.116 22.210 -6.894 1.00 2.28 N ATOM 0 H GLN A 122 15.360 19.754 -3.929 1.00 0.82 H new ATOM 0 HA GLN A 122 17.930 19.538 -5.172 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.677 21.088 -2.832 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.327 21.400 -3.334 1.00 1.14 H new ATOM 0 HG2 GLN A 122 16.181 21.366 -5.469 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.259 22.759 -4.410 1.00 1.42 H new ATOM 0 HE21 GLN A 122 17.402 21.638 -7.346 1.00 2.28 H new ATOM 0 HE22 GLN A 122 18.900 22.571 -7.438 1.00 2.28 H new ATOM 535 N ALA A 123 17.820 18.127 -2.251 1.00 1.09 N ATOM 536 CA ALA A 123 18.657 17.321 -1.304 1.00 1.33 C ATOM 537 C ALA A 123 18.761 15.854 -1.759 1.00 1.38 C ATOM 538 O ALA A 123 19.784 15.220 -1.585 1.00 1.62 O ATOM 539 CB ALA A 123 17.930 17.411 0.040 1.00 1.45 C ATOM 0 H ALA A 123 16.818 18.118 -2.058 1.00 1.09 H new ATOM 0 HA ALA A 123 19.678 17.698 -1.252 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.481 16.844 0.790 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.864 18.454 0.349 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.926 16.998 -0.061 1.00 1.45 H new ATOM 545 N THR A 124 17.712 15.307 -2.327 1.00 1.29 N ATOM 546 CA THR A 124 17.757 13.875 -2.777 1.00 1.47 C ATOM 547 C THR A 124 18.453 13.739 -4.137 1.00 1.44 C ATOM 548 O THR A 124 19.141 12.768 -4.386 1.00 1.72 O ATOM 549 CB THR A 124 16.294 13.427 -2.877 1.00 1.56 C ATOM 550 OG1 THR A 124 15.533 14.415 -3.558 1.00 2.16 O ATOM 551 CG2 THR A 124 15.724 13.225 -1.472 1.00 1.92 C ATOM 0 H THR A 124 16.829 15.787 -2.499 1.00 1.29 H new ATOM 0 HA THR A 124 18.325 13.261 -2.078 1.00 1.47 H new ATOM 0 HB THR A 124 16.244 12.489 -3.430 1.00 1.56 H new ATOM 0 HG1 THR A 124 14.600 14.123 -3.621 1.00 2.16 H new ATOM 0 HG21 THR A 124 14.684 12.907 -1.544 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.302 12.462 -0.951 1.00 1.92 H new ATOM 0 HG23 THR A 124 15.779 14.163 -0.919 1.00 1.92 H new ATOM 559 N GLY A 125 18.287 14.695 -5.015 1.00 1.26 N ATOM 560 CA GLY A 125 18.951 14.602 -6.350 1.00 1.32 C ATOM 561 C GLY A 125 18.190 15.440 -7.378 1.00 1.26 C ATOM 562 O GLY A 125 17.581 14.914 -8.290 1.00 1.63 O ATOM 0 H GLY A 125 17.723 15.532 -4.866 1.00 1.26 H new ATOM 0 HA2 GLY A 125 19.981 14.950 -6.277 1.00 1.32 H new ATOM 0 HA3 GLY A 125 18.989 13.562 -6.674 1.00 1.32 H new ATOM 566 N GLU A 126 18.226 16.739 -7.244 1.00 1.02 N ATOM 567 CA GLU A 126 17.509 17.615 -8.218 1.00 1.08 C ATOM 568 C GLU A 126 18.392 17.876 -9.446 1.00 0.89 C ATOM 569 O GLU A 126 19.178 18.805 -9.480 1.00 0.87 O ATOM 570 CB GLU A 126 17.230 18.909 -7.454 1.00 1.34 C ATOM 571 CG GLU A 126 15.826 19.411 -7.795 1.00 1.45 C ATOM 572 CD GLU A 126 15.877 20.235 -9.081 1.00 1.61 C ATOM 573 OE1 GLU A 126 15.848 19.638 -10.144 1.00 2.16 O ATOM 574 OE2 GLU A 126 15.942 21.448 -8.981 1.00 2.09 O ATOM 0 H GLU A 126 18.721 17.233 -6.501 1.00 1.02 H new ATOM 0 HA GLU A 126 16.590 17.162 -8.589 1.00 1.08 H new ATOM 0 HB2 GLU A 126 17.315 18.736 -6.381 1.00 1.34 H new ATOM 0 HB3 GLU A 126 17.971 19.665 -7.715 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.147 18.567 -7.918 1.00 1.45 H new ATOM 0 HG3 GLU A 126 15.437 20.017 -6.977 1.00 1.45 H new ATOM 581 N THR A 127 18.265 17.052 -10.454 1.00 1.09 N ATOM 582 CA THR A 127 19.088 17.229 -11.691 1.00 1.21 C ATOM 583 C THR A 127 18.172 17.361 -12.923 1.00 1.29 C ATOM 584 O THR A 127 18.368 16.706 -13.931 1.00 1.60 O ATOM 585 CB THR A 127 19.962 15.963 -11.767 1.00 1.57 C ATOM 586 OG1 THR A 127 20.772 16.011 -12.935 1.00 1.91 O ATOM 587 CG2 THR A 127 19.079 14.709 -11.805 1.00 2.18 C ATOM 0 H THR A 127 17.623 16.259 -10.475 1.00 1.09 H new ATOM 0 HA THR A 127 19.698 18.132 -11.668 1.00 1.21 H new ATOM 0 HB THR A 127 20.598 15.920 -10.883 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.226 16.286 -13.701 1.00 1.91 H new ATOM 0 HG21 THR A 127 19.710 13.822 -11.859 1.00 2.18 H new ATOM 0 HG22 THR A 127 18.469 14.666 -10.903 1.00 2.18 H new ATOM 0 HG23 THR A 127 18.431 14.747 -12.680 1.00 2.18 H new ATOM 595 N ILE A 128 17.174 18.209 -12.843 1.00 1.08 N ATOM 596 CA ILE A 128 16.237 18.397 -14.000 1.00 1.20 C ATOM 597 C ILE A 128 15.893 19.886 -14.173 1.00 1.18 C ATOM 598 O ILE A 128 16.523 20.747 -13.590 1.00 1.15 O ATOM 599 CB ILE A 128 14.976 17.589 -13.648 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.427 18.039 -12.287 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.310 16.095 -13.599 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.019 17.470 -12.085 1.00 2.03 C ATOM 0 H ILE A 128 16.966 18.781 -12.025 1.00 1.08 H new ATOM 0 HA ILE A 128 16.680 18.061 -14.938 1.00 1.20 H new ATOM 0 HB ILE A 128 14.221 17.763 -14.414 1.00 1.12 H new ATOM 0 HG12 ILE A 128 15.085 17.699 -11.488 1.00 1.32 H new ATOM 0 HG13 ILE A 128 14.401 19.128 -12.236 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.412 15.529 -13.349 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.683 15.773 -14.572 1.00 1.62 H new ATOM 0 HG23 ILE A 128 16.073 15.917 -12.841 1.00 1.62 H new ATOM 0 HD11 ILE A 128 12.632 17.791 -11.118 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.363 17.832 -12.877 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.059 16.381 -12.116 1.00 2.03 H new ATOM 614 N THR A 129 14.895 20.191 -14.969 1.00 1.34 N ATOM 615 CA THR A 129 14.501 21.623 -15.182 1.00 1.42 C ATOM 616 C THR A 129 13.021 21.833 -14.818 1.00 1.16 C ATOM 617 O THR A 129 12.354 20.927 -14.350 1.00 0.97 O ATOM 618 CB THR A 129 14.746 21.891 -16.675 1.00 1.64 C ATOM 619 OG1 THR A 129 14.533 23.270 -16.946 1.00 2.23 O ATOM 620 CG2 THR A 129 13.793 21.044 -17.527 1.00 2.28 C ATOM 0 H THR A 129 14.335 19.510 -15.481 1.00 1.34 H new ATOM 0 HA THR A 129 15.073 22.305 -14.553 1.00 1.42 H new ATOM 0 HB THR A 129 15.773 21.623 -16.924 1.00 1.64 H new ATOM 0 HG1 THR A 129 14.690 23.444 -17.897 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.976 21.242 -18.583 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.963 19.987 -17.321 1.00 2.28 H new ATOM 0 HG23 THR A 129 12.762 21.300 -17.283 1.00 2.28 H new ATOM 628 N GLU A 130 12.505 23.022 -15.029 1.00 1.31 N ATOM 629 CA GLU A 130 11.067 23.301 -14.695 1.00 1.28 C ATOM 630 C GLU A 130 10.125 22.343 -15.448 1.00 1.16 C ATOM 631 O GLU A 130 9.082 21.975 -14.942 1.00 1.21 O ATOM 632 CB GLU A 130 10.815 24.760 -15.106 1.00 1.69 C ATOM 633 CG GLU A 130 11.164 24.972 -16.585 1.00 2.05 C ATOM 634 CD GLU A 130 12.010 26.239 -16.734 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.431 27.311 -16.799 1.00 2.70 O ATOM 636 OE2 GLU A 130 13.223 26.116 -16.777 1.00 3.03 O ATOM 0 H GLU A 130 13.017 23.813 -15.419 1.00 1.31 H new ATOM 0 HA GLU A 130 10.870 23.147 -13.634 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.770 25.017 -14.933 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.414 25.427 -14.486 1.00 1.69 H new ATOM 0 HG2 GLU A 130 11.711 24.110 -16.968 1.00 2.05 H new ATOM 0 HG3 GLU A 130 10.252 25.059 -17.176 1.00 2.05 H new ATOM 643 N ASP A 131 10.487 21.927 -16.640 1.00 1.18 N ATOM 644 CA ASP A 131 9.613 20.982 -17.406 1.00 1.19 C ATOM 645 C ASP A 131 9.444 19.670 -16.626 1.00 1.07 C ATOM 646 O ASP A 131 8.347 19.160 -16.486 1.00 1.14 O ATOM 647 CB ASP A 131 10.352 20.726 -18.724 1.00 1.44 C ATOM 648 CG ASP A 131 10.286 21.974 -19.604 1.00 1.48 C ATOM 649 OD1 ASP A 131 9.244 22.204 -20.195 1.00 1.91 O ATOM 650 OD2 ASP A 131 11.280 22.677 -19.674 1.00 2.07 O ATOM 0 H ASP A 131 11.348 22.201 -17.114 1.00 1.18 H new ATOM 0 HA ASP A 131 8.616 21.389 -17.572 1.00 1.19 H new ATOM 0 HB2 ASP A 131 11.391 20.465 -18.524 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.905 19.879 -19.244 1.00 1.44 H new ATOM 655 N ASP A 132 10.523 19.129 -16.110 1.00 1.00 N ATOM 656 CA ASP A 132 10.434 17.852 -15.331 1.00 1.03 C ATOM 657 C ASP A 132 9.587 18.051 -14.066 1.00 0.88 C ATOM 658 O ASP A 132 8.929 17.136 -13.605 1.00 1.03 O ATOM 659 CB ASP A 132 11.877 17.499 -14.961 1.00 1.13 C ATOM 660 CG ASP A 132 12.664 17.129 -16.219 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.540 16.000 -16.661 1.00 1.99 O ATOM 662 OD2 ASP A 132 13.383 17.981 -16.713 1.00 1.79 O ATOM 0 H ASP A 132 11.462 19.517 -16.195 1.00 1.00 H new ATOM 0 HA ASP A 132 9.958 17.059 -15.907 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.350 18.344 -14.462 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.887 16.666 -14.257 1.00 1.13 H new ATOM 667 N ILE A 133 9.585 19.240 -13.506 1.00 0.75 N ATOM 668 CA ILE A 133 8.760 19.492 -12.278 1.00 0.77 C ATOM 669 C ILE A 133 7.287 19.204 -12.587 1.00 0.70 C ATOM 670 O ILE A 133 6.586 18.591 -11.804 1.00 0.82 O ATOM 671 CB ILE A 133 8.954 20.980 -11.940 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.445 21.280 -11.705 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.157 21.333 -10.678 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.976 20.440 -10.541 1.00 1.00 C ATOM 0 H ILE A 133 10.116 20.043 -13.844 1.00 0.75 H new ATOM 0 HA ILE A 133 9.057 18.855 -11.445 1.00 0.77 H new ATOM 0 HB ILE A 133 8.596 21.580 -12.777 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.014 21.063 -12.609 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.581 22.340 -11.490 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.297 22.388 -10.442 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.099 21.137 -10.849 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.508 20.725 -9.844 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.032 20.661 -10.385 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.417 20.678 -9.636 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.857 19.381 -10.772 1.00 1.00 H new ATOM 686 N GLU A 134 6.823 19.635 -13.736 1.00 0.61 N ATOM 687 CA GLU A 134 5.402 19.386 -14.122 1.00 0.64 C ATOM 688 C GLU A 134 5.138 17.880 -14.277 1.00 0.64 C ATOM 689 O GLU A 134 4.040 17.419 -14.044 1.00 0.76 O ATOM 690 CB GLU A 134 5.219 20.114 -15.456 1.00 0.73 C ATOM 691 CG GLU A 134 4.611 21.496 -15.197 1.00 0.89 C ATOM 692 CD GLU A 134 3.103 21.356 -14.970 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.370 21.399 -15.944 1.00 1.86 O ATOM 694 OE2 GLU A 134 2.707 21.206 -13.826 1.00 1.87 O ATOM 0 H GLU A 134 7.372 20.150 -14.424 1.00 0.61 H new ATOM 0 HA GLU A 134 4.703 19.744 -13.366 1.00 0.64 H new ATOM 0 HB2 GLU A 134 6.178 20.215 -15.963 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.570 19.536 -16.114 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.080 21.954 -14.326 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.802 22.154 -16.045 1.00 0.89 H new ATOM 701 N GLU A 135 6.133 17.108 -14.654 1.00 0.59 N ATOM 702 CA GLU A 135 5.921 15.629 -14.798 1.00 0.67 C ATOM 703 C GLU A 135 5.521 15.040 -13.441 1.00 0.74 C ATOM 704 O GLU A 135 4.559 14.304 -13.335 1.00 0.91 O ATOM 705 CB GLU A 135 7.268 15.060 -15.268 1.00 0.72 C ATOM 706 CG GLU A 135 7.088 14.330 -16.606 1.00 1.16 C ATOM 707 CD GLU A 135 6.415 15.257 -17.623 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.999 16.278 -17.950 1.00 2.29 O ATOM 709 OE2 GLU A 135 5.320 14.934 -18.054 1.00 2.03 O ATOM 0 H GLU A 135 7.076 17.435 -14.867 1.00 0.59 H new ATOM 0 HA GLU A 135 5.128 15.388 -15.506 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.994 15.865 -15.378 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.664 14.374 -14.520 1.00 0.72 H new ATOM 0 HG2 GLU A 135 8.057 14.004 -16.985 1.00 1.16 H new ATOM 0 HG3 GLU A 135 6.484 13.434 -16.462 1.00 1.16 H new ATOM 716 N LEU A 136 6.236 15.389 -12.398 1.00 0.73 N ATOM 717 CA LEU A 136 5.883 14.883 -11.035 1.00 0.87 C ATOM 718 C LEU A 136 4.580 15.548 -10.565 1.00 0.81 C ATOM 719 O LEU A 136 3.798 14.961 -9.842 1.00 1.00 O ATOM 720 CB LEU A 136 7.048 15.302 -10.127 1.00 0.99 C ATOM 721 CG LEU A 136 8.248 14.373 -10.340 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.536 15.196 -10.300 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.287 13.315 -9.228 1.00 1.75 C ATOM 0 H LEU A 136 7.050 16.003 -12.433 1.00 0.73 H new ATOM 0 HA LEU A 136 5.731 13.804 -11.021 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.334 16.332 -10.342 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.735 15.269 -9.083 1.00 0.99 H new ATOM 0 HG LEU A 136 8.156 13.878 -11.307 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.392 14.539 -10.451 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.512 15.948 -11.089 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.623 15.689 -9.332 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.141 12.656 -9.383 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.379 13.808 -8.260 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.368 12.729 -9.251 1.00 1.75 H new ATOM 735 N MET A 137 4.351 16.778 -10.974 1.00 0.67 N ATOM 736 CA MET A 137 3.110 17.507 -10.562 1.00 0.71 C ATOM 737 C MET A 137 1.869 16.940 -11.273 1.00 0.68 C ATOM 738 O MET A 137 0.826 16.802 -10.669 1.00 0.70 O ATOM 739 CB MET A 137 3.355 18.963 -10.975 1.00 0.82 C ATOM 740 CG MET A 137 2.166 19.840 -10.562 1.00 0.99 C ATOM 741 SD MET A 137 1.677 19.457 -8.862 1.00 0.94 S ATOM 742 CE MET A 137 0.797 21.002 -8.521 1.00 0.53 C ATOM 0 H MET A 137 4.977 17.309 -11.580 1.00 0.67 H new ATOM 0 HA MET A 137 2.917 17.407 -9.494 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.268 19.332 -10.508 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.503 19.023 -12.053 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.435 20.893 -10.644 1.00 0.99 H new ATOM 0 HG3 MET A 137 1.327 19.672 -11.237 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.329 21.561 -7.751 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.743 21.599 -9.432 1.00 0.53 H new ATOM 0 HE3 MET A 137 -0.212 20.777 -8.174 1.00 0.53 H new ATOM 752 N LYS A 138 1.970 16.619 -12.544 1.00 0.76 N ATOM 753 CA LYS A 138 0.783 16.068 -13.284 1.00 0.82 C ATOM 754 C LYS A 138 0.158 14.892 -12.520 1.00 0.72 C ATOM 755 O LYS A 138 -1.042 14.841 -12.336 1.00 0.84 O ATOM 756 CB LYS A 138 1.319 15.602 -14.640 1.00 0.99 C ATOM 757 CG LYS A 138 1.290 16.770 -15.630 1.00 1.57 C ATOM 758 CD LYS A 138 2.122 16.411 -16.864 1.00 2.09 C ATOM 759 CE LYS A 138 2.655 17.688 -17.521 1.00 2.74 C ATOM 760 NZ LYS A 138 4.128 17.483 -17.618 1.00 3.43 N1+ ATOM 0 H LYS A 138 2.820 16.714 -13.100 1.00 0.76 H new ATOM 0 HA LYS A 138 0.001 16.819 -13.395 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.337 15.229 -14.532 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.715 14.777 -15.017 1.00 0.99 H new ATOM 0 HG2 LYS A 138 0.263 16.989 -15.921 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.686 17.670 -15.160 1.00 1.57 H new ATOM 0 HD2 LYS A 138 2.952 15.764 -16.579 1.00 2.09 H new ATOM 0 HD3 LYS A 138 1.513 15.853 -17.575 1.00 2.09 H new ATOM 0 HE2 LYS A 138 2.212 17.841 -18.505 1.00 2.74 H new ATOM 0 HE3 LYS A 138 2.417 18.568 -16.924 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 4.545 18.233 -18.206 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 4.547 17.516 -16.667 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 4.322 16.557 -18.049 1.00 3.43 H new ATOM 774 N ASP A 139 0.956 13.954 -12.064 1.00 0.75 N ATOM 775 CA ASP A 139 0.384 12.798 -11.302 1.00 0.78 C ATOM 776 C ASP A 139 -0.059 13.262 -9.906 1.00 0.70 C ATOM 777 O ASP A 139 -1.106 12.873 -9.423 1.00 0.81 O ATOM 778 CB ASP A 139 1.512 11.764 -11.206 1.00 0.97 C ATOM 779 CG ASP A 139 0.910 10.360 -11.098 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.483 9.840 -12.116 1.00 1.66 O ATOM 781 OD2 ASP A 139 0.877 9.832 -10.000 1.00 1.69 O ATOM 0 H ASP A 139 1.969 13.939 -12.185 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.493 12.375 -11.792 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.155 11.829 -12.084 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.137 11.971 -10.337 1.00 0.97 H new ATOM 786 N GLY A 140 0.724 14.105 -9.267 1.00 0.64 N ATOM 787 CA GLY A 140 0.346 14.618 -7.911 1.00 0.62 C ATOM 788 C GLY A 140 -0.981 15.372 -8.017 1.00 0.57 C ATOM 789 O GLY A 140 -1.950 15.039 -7.361 1.00 0.65 O ATOM 0 H GLY A 140 1.610 14.459 -9.629 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.254 13.791 -7.207 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.124 15.278 -7.527 1.00 0.62 H new ATOM 793 N ASP A 141 -1.029 16.374 -8.858 1.00 0.56 N ATOM 794 CA ASP A 141 -2.285 17.153 -9.043 1.00 0.56 C ATOM 795 C ASP A 141 -2.804 16.969 -10.475 1.00 0.58 C ATOM 796 O ASP A 141 -2.613 17.816 -11.329 1.00 0.64 O ATOM 797 CB ASP A 141 -1.897 18.617 -8.789 1.00 0.60 C ATOM 798 CG ASP A 141 -3.132 19.430 -8.382 1.00 0.75 C ATOM 799 OD1 ASP A 141 -4.221 19.102 -8.830 1.00 1.23 O ATOM 800 OD2 ASP A 141 -2.969 20.370 -7.626 1.00 1.14 O ATOM 0 H ASP A 141 -0.243 16.686 -9.428 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.078 16.828 -8.369 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.143 18.670 -8.004 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.452 19.044 -9.688 1.00 0.60 H new ATOM 805 N LYS A 142 -3.467 15.870 -10.742 1.00 0.62 N ATOM 806 CA LYS A 142 -4.011 15.633 -12.120 1.00 0.70 C ATOM 807 C LYS A 142 -5.074 16.688 -12.469 1.00 0.79 C ATOM 808 O LYS A 142 -5.407 16.881 -13.624 1.00 0.92 O ATOM 809 CB LYS A 142 -4.623 14.232 -12.079 1.00 0.79 C ATOM 810 CG LYS A 142 -3.563 13.209 -12.495 1.00 0.88 C ATOM 811 CD LYS A 142 -4.146 11.799 -12.407 1.00 1.37 C ATOM 812 CE LYS A 142 -3.151 10.801 -13.011 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.326 10.314 -11.866 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.656 15.127 -10.069 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.237 15.710 -12.883 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.986 14.010 -11.076 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.481 14.177 -12.748 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.228 13.412 -13.512 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.689 13.293 -11.849 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.351 11.542 -11.368 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.095 11.752 -12.940 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -3.670 9.976 -13.499 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -2.528 11.278 -13.768 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -1.355 10.133 -12.190 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.312 11.035 -11.117 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -2.736 9.434 -11.492 1.00 2.44 H new ATOM 827 N ASN A 143 -5.589 17.389 -11.483 1.00 0.80 N ATOM 828 CA ASN A 143 -6.607 18.452 -11.763 1.00 0.95 C ATOM 829 C ASN A 143 -5.890 19.760 -12.127 1.00 0.92 C ATOM 830 O ASN A 143 -6.449 20.615 -12.786 1.00 1.08 O ATOM 831 CB ASN A 143 -7.410 18.647 -10.463 1.00 1.07 C ATOM 832 CG ASN A 143 -7.597 17.317 -9.730 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.214 16.406 -10.243 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.086 17.168 -8.540 1.00 1.70 N ATOM 0 H ASN A 143 -5.348 17.270 -10.499 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.259 18.172 -12.590 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.893 19.354 -9.815 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.384 19.079 -10.694 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.205 16.287 -8.041 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.567 17.933 -8.108 1.00 1.70 H new ATOM 841 N ASN A 144 -4.655 19.918 -11.687 1.00 0.86 N ATOM 842 CA ASN A 144 -3.880 21.165 -11.979 1.00 0.93 C ATOM 843 C ASN A 144 -4.651 22.397 -11.482 1.00 1.03 C ATOM 844 O ASN A 144 -4.692 23.424 -12.134 1.00 1.71 O ATOM 845 CB ASN A 144 -3.701 21.189 -13.504 1.00 1.08 C ATOM 846 CG ASN A 144 -2.380 20.506 -13.874 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.360 19.342 -14.217 1.00 2.18 O ATOM 848 ND2 ASN A 144 -1.269 21.187 -13.822 1.00 1.97 N ATOM 0 H ASN A 144 -4.152 19.225 -11.133 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.915 21.181 -11.472 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.534 20.679 -13.987 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -3.705 22.217 -13.865 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -0.386 20.741 -14.069 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -1.284 22.165 -13.534 1.00 1.97 H new ATOM 855 N ASP A 145 -5.253 22.298 -10.319 1.00 0.88 N ATOM 856 CA ASP A 145 -6.015 23.462 -9.764 1.00 0.92 C ATOM 857 C ASP A 145 -5.056 24.514 -9.169 1.00 0.91 C ATOM 858 O ASP A 145 -5.475 25.592 -8.793 1.00 1.07 O ATOM 859 CB ASP A 145 -6.962 22.885 -8.694 1.00 0.93 C ATOM 860 CG ASP A 145 -6.205 21.982 -7.715 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.478 22.508 -6.895 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.377 20.777 -7.799 1.00 2.06 O ATOM 0 H ASP A 145 -5.249 21.464 -9.732 1.00 0.88 H new ATOM 0 HA ASP A 145 -6.580 23.977 -10.541 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.438 23.700 -8.148 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.757 22.317 -9.176 1.00 0.93 H new ATOM 867 N GLY A 146 -3.771 24.226 -9.107 1.00 0.84 N ATOM 868 CA GLY A 146 -2.797 25.228 -8.570 1.00 0.92 C ATOM 869 C GLY A 146 -2.188 24.770 -7.236 1.00 0.66 C ATOM 870 O GLY A 146 -1.067 25.122 -6.923 1.00 0.74 O ATOM 0 H GLY A 146 -3.360 23.341 -9.405 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.001 25.388 -9.297 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.299 26.185 -8.431 1.00 0.92 H new ATOM 874 N ARG A 147 -2.899 23.999 -6.446 1.00 0.56 N ATOM 875 CA ARG A 147 -2.324 23.550 -5.137 1.00 0.54 C ATOM 876 C ARG A 147 -2.527 22.042 -4.920 1.00 0.46 C ATOM 877 O ARG A 147 -3.608 21.506 -5.100 1.00 0.45 O ATOM 878 CB ARG A 147 -3.058 24.366 -4.062 1.00 0.77 C ATOM 879 CG ARG A 147 -4.569 24.112 -4.129 1.00 1.39 C ATOM 880 CD ARG A 147 -5.060 23.628 -2.763 1.00 1.79 C ATOM 881 NE ARG A 147 -6.540 23.806 -2.801 1.00 2.55 N ATOM 882 CZ ARG A 147 -7.322 22.794 -2.558 1.00 2.87 C ATOM 883 NH1 ARG A 147 -7.553 21.920 -3.494 1.00 3.37 N1+ ATOM 884 NH2 ARG A 147 -7.876 22.662 -1.385 1.00 3.10 N ATOM 0 H ARG A 147 -3.841 23.665 -6.648 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.247 23.713 -5.102 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -2.682 24.098 -3.075 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.856 25.428 -4.203 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -5.091 25.026 -4.413 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.791 23.367 -4.893 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.792 22.585 -2.594 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.613 24.207 -1.955 1.00 1.79 H new ATOM 0 HE ARG A 147 -6.939 24.719 -3.017 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -7.122 22.030 -4.412 1.00 3.37 H new ATOM 0 HH12 ARG A 147 -8.165 21.125 -3.310 1.00 3.37 H new ATOM 0 HH21 ARG A 147 -7.697 23.352 -0.656 1.00 3.10 H new ATOM 0 HH22 ARG A 147 -8.488 21.868 -1.197 1.00 3.10 H new ATOM 898 N ILE A 148 -1.487 21.358 -4.524 1.00 0.49 N ATOM 899 CA ILE A 148 -1.591 19.886 -4.280 1.00 0.44 C ATOM 900 C ILE A 148 -2.245 19.628 -2.915 1.00 0.46 C ATOM 901 O ILE A 148 -2.112 20.416 -1.996 1.00 0.63 O ATOM 902 CB ILE A 148 -0.142 19.377 -4.297 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.493 19.676 -5.658 1.00 0.56 C ATOM 904 CG2 ILE A 148 -0.109 17.864 -4.056 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.814 18.913 -5.788 1.00 0.63 C ATOM 0 H ILE A 148 -0.563 21.757 -4.357 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.204 19.380 -5.026 1.00 0.44 H new ATOM 0 HB ILE A 148 0.414 19.882 -3.507 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.187 19.386 -6.459 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.668 20.747 -5.761 1.00 0.56 H new ATOM 0 HG21 ILE A 148 0.924 17.516 -4.070 1.00 0.47 H new ATOM 0 HG22 ILE A 148 -0.554 17.640 -3.086 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.673 17.358 -4.840 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.264 19.127 -6.757 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.494 19.225 -4.995 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.626 17.843 -5.704 1.00 0.63 H new ATOM 917 N ASP A 149 -2.948 18.533 -2.776 1.00 0.48 N ATOM 918 CA ASP A 149 -3.609 18.221 -1.472 1.00 0.53 C ATOM 919 C ASP A 149 -2.988 16.955 -0.856 1.00 0.53 C ATOM 920 O ASP A 149 -2.482 16.099 -1.559 1.00 0.63 O ATOM 921 CB ASP A 149 -5.087 17.995 -1.816 1.00 0.58 C ATOM 922 CG ASP A 149 -5.719 19.304 -2.299 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.575 19.617 -3.472 1.00 1.65 O ATOM 924 OD2 ASP A 149 -6.342 19.969 -1.492 1.00 1.84 O ATOM 0 H ASP A 149 -3.093 17.840 -3.510 1.00 0.48 H new ATOM 0 HA ASP A 149 -3.486 19.020 -0.741 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -5.176 17.232 -2.589 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.620 17.626 -0.940 1.00 0.58 H new ATOM 929 N TYR A 150 -3.019 16.836 0.452 1.00 0.58 N ATOM 930 CA TYR A 150 -2.424 15.632 1.124 1.00 0.60 C ATOM 931 C TYR A 150 -3.048 14.337 0.583 1.00 0.59 C ATOM 932 O TYR A 150 -2.350 13.382 0.294 1.00 0.63 O ATOM 933 CB TYR A 150 -2.747 15.800 2.614 1.00 0.73 C ATOM 934 CG TYR A 150 -2.210 14.615 3.385 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.867 14.584 3.781 1.00 1.15 C ATOM 936 CD2 TYR A 150 -3.057 13.546 3.701 1.00 1.22 C ATOM 937 CE1 TYR A 150 -0.373 13.485 4.492 1.00 1.43 C ATOM 938 CE2 TYR A 150 -2.561 12.447 4.410 1.00 1.56 C ATOM 939 CZ TYR A 150 -1.220 12.416 4.806 1.00 1.48 C ATOM 940 OH TYR A 150 -0.730 11.330 5.503 1.00 1.96 O ATOM 0 H TYR A 150 -3.431 17.522 1.085 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.352 15.560 0.942 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -2.305 16.723 2.991 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.825 15.881 2.756 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.213 15.408 3.538 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -4.093 13.570 3.397 1.00 1.22 H new ATOM 0 HE1 TYR A 150 0.662 13.462 4.799 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -3.214 11.622 4.652 1.00 1.56 H new ATOM 0 HH TYR A 150 -1.448 10.678 5.639 1.00 1.96 H new ATOM 950 N ASP A 151 -4.351 14.297 0.449 1.00 0.64 N ATOM 951 CA ASP A 151 -5.019 13.061 -0.070 1.00 0.70 C ATOM 952 C ASP A 151 -4.491 12.720 -1.468 1.00 0.63 C ATOM 953 O ASP A 151 -4.163 11.584 -1.755 1.00 0.77 O ATOM 954 CB ASP A 151 -6.511 13.401 -0.119 1.00 0.79 C ATOM 955 CG ASP A 151 -7.065 13.458 1.305 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.408 12.410 1.826 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.127 14.546 1.852 1.00 1.90 O ATOM 0 H ASP A 151 -4.981 15.066 0.676 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.825 12.192 0.559 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.661 14.358 -0.618 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -7.047 12.651 -0.700 1.00 0.79 H new ATOM 962 N GLU A 152 -4.390 13.702 -2.331 1.00 0.54 N ATOM 963 CA GLU A 152 -3.864 13.446 -3.708 1.00 0.56 C ATOM 964 C GLU A 152 -2.391 13.018 -3.633 1.00 0.52 C ATOM 965 O GLU A 152 -1.950 12.167 -4.378 1.00 0.65 O ATOM 966 CB GLU A 152 -4.005 14.780 -4.448 1.00 0.60 C ATOM 967 CG GLU A 152 -5.439 14.926 -4.968 1.00 0.77 C ATOM 968 CD GLU A 152 -5.610 16.288 -5.645 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.076 16.466 -6.727 1.00 1.17 O ATOM 970 OE2 GLU A 152 -6.274 17.132 -5.071 1.00 1.40 O ATOM 0 H GLU A 152 -4.649 14.670 -2.141 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.404 12.647 -4.217 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.763 15.606 -3.780 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -3.300 14.824 -5.278 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.662 14.128 -5.676 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -6.146 14.828 -4.144 1.00 0.77 H new ATOM 977 N PHE A 153 -1.634 13.600 -2.728 1.00 0.46 N ATOM 978 CA PHE A 153 -0.187 13.232 -2.588 1.00 0.46 C ATOM 979 C PHE A 153 -0.031 11.729 -2.315 1.00 0.50 C ATOM 980 O PHE A 153 0.804 11.072 -2.902 1.00 0.64 O ATOM 981 CB PHE A 153 0.318 14.045 -1.387 1.00 0.49 C ATOM 982 CG PHE A 153 1.739 13.655 -1.053 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.764 13.843 -1.988 1.00 0.52 C ATOM 984 CD2 PHE A 153 2.029 13.112 0.203 1.00 0.62 C ATOM 985 CE1 PHE A 153 4.079 13.486 -1.665 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.342 12.759 0.527 1.00 0.73 C ATOM 987 CZ PHE A 153 4.368 12.945 -0.406 1.00 0.68 C ATOM 0 H PHE A 153 -1.959 14.316 -2.079 1.00 0.46 H new ATOM 0 HA PHE A 153 0.374 13.446 -3.498 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.269 15.110 -1.613 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.326 13.872 -0.525 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.541 14.263 -2.958 1.00 0.52 H new ATOM 0 HD2 PHE A 153 1.238 12.965 0.923 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.870 13.628 -2.387 1.00 0.61 H new ATOM 0 HE2 PHE A 153 3.565 12.342 1.498 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.382 12.672 -0.155 1.00 0.68 H new ATOM 997 N LEU A 154 -0.820 11.185 -1.420 1.00 0.53 N ATOM 998 CA LEU A 154 -0.703 9.726 -1.097 1.00 0.62 C ATOM 999 C LEU A 154 -1.004 8.862 -2.328 1.00 0.65 C ATOM 1000 O LEU A 154 -0.200 8.035 -2.718 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.728 9.472 0.014 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.095 9.795 1.372 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -2.101 9.504 2.484 1.00 1.65 C ATOM 1004 CD2 LEU A 154 0.154 8.931 1.570 1.00 1.20 C ATOM 0 H LEU A 154 -1.539 11.687 -0.899 1.00 0.53 H new ATOM 0 HA LEU A 154 0.307 9.464 -0.783 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.612 10.089 -0.144 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.056 8.433 -0.009 1.00 0.75 H new ATOM 0 HG LEU A 154 -0.816 10.848 1.403 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -1.652 9.733 3.450 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -2.989 10.120 2.341 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -2.381 8.451 2.455 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.605 9.160 2.535 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.124 7.877 1.540 1.00 1.20 H new ATOM 0 HD23 LEU A 154 0.871 9.140 0.776 1.00 1.20 H new ATOM 1016 N GLU A 155 -2.145 9.046 -2.945 1.00 0.69 N ATOM 1017 CA GLU A 155 -2.485 8.230 -4.157 1.00 0.81 C ATOM 1018 C GLU A 155 -1.466 8.486 -5.275 1.00 0.76 C ATOM 1019 O GLU A 155 -1.198 7.623 -6.090 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.887 8.688 -4.575 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.918 8.274 -3.510 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.571 6.891 -2.941 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.823 5.910 -3.620 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -4.052 6.840 -1.837 1.00 2.57 O ATOM 0 H GLU A 155 -2.855 9.723 -2.665 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.460 7.160 -3.952 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.901 9.770 -4.705 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -4.150 8.248 -5.537 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.937 9.011 -2.707 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -5.916 8.254 -3.948 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.881 9.658 -5.303 1.00 0.66 N ATOM 1032 CA PHE A 156 0.140 9.968 -6.347 1.00 0.77 C ATOM 1033 C PHE A 156 1.479 9.314 -5.970 1.00 0.71 C ATOM 1034 O PHE A 156 2.205 8.833 -6.819 1.00 0.88 O ATOM 1035 CB PHE A 156 0.253 11.504 -6.355 1.00 0.84 C ATOM 1036 CG PHE A 156 1.690 11.923 -6.579 1.00 1.01 C ATOM 1037 CD1 PHE A 156 2.244 11.864 -7.861 1.00 1.09 C ATOM 1038 CD2 PHE A 156 2.464 12.367 -5.502 1.00 1.49 C ATOM 1039 CE1 PHE A 156 3.572 12.247 -8.069 1.00 1.31 C ATOM 1040 CE2 PHE A 156 3.793 12.751 -5.709 1.00 1.72 C ATOM 1041 CZ PHE A 156 4.347 12.691 -6.993 1.00 1.53 C ATOM 0 H PHE A 156 -1.068 10.415 -4.645 1.00 0.66 H new ATOM 0 HA PHE A 156 -0.133 9.587 -7.331 1.00 0.77 H new ATOM 0 HB2 PHE A 156 -0.380 11.918 -7.140 1.00 0.84 H new ATOM 0 HB3 PHE A 156 -0.107 11.907 -5.409 1.00 0.84 H new ATOM 0 HD1 PHE A 156 1.645 11.522 -8.692 1.00 1.09 H new ATOM 0 HD2 PHE A 156 2.036 12.413 -4.512 1.00 1.49 H new ATOM 0 HE1 PHE A 156 3.999 12.200 -9.060 1.00 1.31 H new ATOM 0 HE2 PHE A 156 4.392 13.094 -4.878 1.00 1.72 H new ATOM 0 HZ PHE A 156 5.373 12.988 -7.153 1.00 1.53 H new ATOM 1051 N MET A 157 1.809 9.299 -4.699 1.00 0.61 N ATOM 1052 CA MET A 157 3.100 8.685 -4.263 1.00 0.69 C ATOM 1053 C MET A 157 3.053 7.152 -4.368 1.00 0.83 C ATOM 1054 O MET A 157 4.074 6.498 -4.281 1.00 1.17 O ATOM 1055 CB MET A 157 3.277 9.127 -2.810 1.00 0.84 C ATOM 1056 CG MET A 157 3.739 10.584 -2.773 1.00 0.92 C ATOM 1057 SD MET A 157 5.359 10.730 -3.568 1.00 1.56 S ATOM 1058 CE MET A 157 6.333 9.991 -2.235 1.00 0.90 C ATOM 0 H MET A 157 1.239 9.686 -3.947 1.00 0.61 H new ATOM 0 HA MET A 157 3.931 9.002 -4.893 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.337 9.019 -2.269 1.00 0.84 H new ATOM 0 HB3 MET A 157 4.007 8.490 -2.311 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.014 11.219 -3.283 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.797 10.931 -1.741 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.333 10.425 -2.232 1.00 0.90 H new ATOM 0 HE2 MET A 157 5.849 10.188 -1.278 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.405 8.915 -2.391 1.00 0.90 H new ATOM 1068 N LYS A 158 1.888 6.574 -4.571 1.00 0.86 N ATOM 1069 CA LYS A 158 1.797 5.083 -4.702 1.00 1.07 C ATOM 1070 C LYS A 158 2.740 4.591 -5.817 1.00 1.36 C ATOM 1071 O LYS A 158 3.276 3.502 -5.751 1.00 1.73 O ATOM 1072 CB LYS A 158 0.334 4.800 -5.071 1.00 1.28 C ATOM 1073 CG LYS A 158 -0.337 3.999 -3.951 1.00 1.66 C ATOM 1074 CD LYS A 158 -1.231 4.925 -3.119 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.658 5.068 -1.705 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.841 5.309 -0.829 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.000 7.070 -4.651 1.00 0.86 H new ATOM 0 HA LYS A 158 2.090 4.570 -3.786 1.00 1.07 H new ATOM 0 HB2 LYS A 158 -0.199 5.738 -5.230 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.286 4.244 -6.007 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -0.930 3.189 -4.375 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.420 3.540 -3.315 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -1.299 5.904 -3.594 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -2.243 4.523 -3.072 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -0.121 4.168 -1.404 1.00 2.85 H new ATOM 0 HE3 LYS A 158 0.050 5.895 -1.648 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.534 5.775 0.048 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -2.522 5.919 -1.325 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -2.293 4.401 -0.599 1.00 3.52 H new