USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 351 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 126 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 132 SER OG : rot 180:sc= -0.0945 USER MOD Single : A 142 HIS : no HE2:sc= -8.89! C(o=-8.9!,f=-12!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.651 USER MOD Single : A 159 THR OG1 : rot 16:sc= 0.0989 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 126 -8.207 12.749 -10.721 1.00 0.00 N ATOM 2 CA GLN A 126 -8.030 13.955 -9.869 1.00 0.00 C ATOM 3 C GLN A 126 -8.346 13.650 -8.409 1.00 0.00 C ATOM 4 O GLN A 126 -7.460 13.678 -7.554 1.00 0.00 O ATOM 5 CB GLN A 126 -8.955 15.056 -10.390 1.00 0.00 C ATOM 6 CG GLN A 126 -8.343 15.887 -11.507 1.00 0.00 C ATOM 7 CD GLN A 126 -9.308 16.916 -12.064 1.00 0.00 C ATOM 8 OE1 GLN A 126 -10.233 17.351 -11.378 1.00 0.00 O ATOM 9 NE2 GLN A 126 -9.097 17.309 -13.314 1.00 0.00 N ATOM 0 HA GLN A 126 -6.991 14.280 -9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -9.879 14.603 -10.750 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -9.224 15.714 -9.564 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -7.454 16.394 -11.132 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -8.019 15.226 -12.311 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -8.318 16.922 -13.846 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -9.714 17.998 -13.743 1.00 0.00 H new ATOM 20 N ASN A 127 -9.612 13.359 -8.130 1.00 0.00 N ATOM 21 CA ASN A 127 -10.044 13.048 -6.772 1.00 0.00 C ATOM 22 C ASN A 127 -10.055 11.542 -6.537 1.00 0.00 C ATOM 23 O ASN A 127 -11.078 10.882 -6.723 1.00 0.00 O ATOM 24 CB ASN A 127 -11.435 13.628 -6.511 1.00 0.00 C ATOM 25 CG ASN A 127 -11.417 15.138 -6.381 1.00 0.00 C ATOM 26 OD1 ASN A 127 -11.332 15.858 -7.377 1.00 0.00 O ATOM 27 ND2 ASN A 127 -11.498 15.627 -5.149 1.00 0.00 N ATOM 0 H ASN A 127 -10.357 13.332 -8.826 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.335 13.500 -6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -12.102 13.344 -7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -11.842 13.192 -5.598 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -11.491 16.636 -4.999 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -11.567 14.994 -4.352 1.00 0.00 H new ATOM 34 N ASN A 128 -8.910 11.003 -6.127 1.00 0.00 N ATOM 35 CA ASN A 128 -8.790 9.573 -5.867 1.00 0.00 C ATOM 36 C ASN A 128 -8.344 9.317 -4.430 1.00 0.00 C ATOM 37 O ASN A 128 -7.512 10.045 -3.889 1.00 0.00 O ATOM 38 CB ASN A 128 -7.795 8.939 -6.842 1.00 0.00 C ATOM 39 CG ASN A 128 -6.435 9.608 -6.796 1.00 0.00 C ATOM 40 OD1 ASN A 128 -6.250 10.703 -7.327 1.00 0.00 O ATOM 41 ND2 ASN A 128 -5.473 8.949 -6.160 1.00 0.00 N ATOM 0 H ASN A 128 -8.054 11.534 -5.968 1.00 0.00 H new ATOM 0 HA ASN A 128 -9.770 9.119 -6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -7.684 7.880 -6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -8.193 9.001 -7.855 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -4.537 9.348 -6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -5.671 8.044 -5.734 1.00 0.00 H new ATOM 48 N ASP A 129 -8.902 8.278 -3.819 1.00 0.00 N ATOM 49 CA ASP A 129 -8.562 7.926 -2.445 1.00 0.00 C ATOM 50 C ASP A 129 -8.078 6.482 -2.356 1.00 0.00 C ATOM 51 O ASP A 129 -8.279 5.812 -1.343 1.00 0.00 O ATOM 52 CB ASP A 129 -9.770 8.130 -1.529 1.00 0.00 C ATOM 53 CG ASP A 129 -9.370 8.538 -0.125 1.00 0.00 C ATOM 54 OD1 ASP A 129 -8.850 9.661 0.041 1.00 0.00 O ATOM 55 OD2 ASP A 129 -9.577 7.735 0.808 1.00 0.00 O ATOM 0 H ASP A 129 -9.592 7.665 -4.253 1.00 0.00 H new ATOM 0 HA ASP A 129 -7.754 8.581 -2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.420 8.894 -1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.349 7.207 -1.485 1.00 0.00 H new ATOM 60 N ALA A 130 -7.441 6.009 -3.422 1.00 0.00 N ATOM 61 CA ALA A 130 -6.929 4.645 -3.463 1.00 0.00 C ATOM 62 C ALA A 130 -5.753 4.475 -2.511 1.00 0.00 C ATOM 63 O ALA A 130 -5.701 3.523 -1.732 1.00 0.00 O ATOM 64 CB ALA A 130 -6.519 4.277 -4.880 1.00 0.00 C ATOM 0 H ALA A 130 -7.267 6.550 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.725 3.974 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.139 3.256 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.383 4.352 -5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.741 4.959 -5.222 1.00 0.00 H new ATOM 70 N LEU A 131 -4.811 5.405 -2.582 1.00 0.00 N ATOM 71 CA LEU A 131 -3.630 5.366 -1.730 1.00 0.00 C ATOM 72 C LEU A 131 -3.578 6.589 -0.819 1.00 0.00 C ATOM 73 O LEU A 131 -4.013 7.676 -1.198 1.00 0.00 O ATOM 74 CB LEU A 131 -2.362 5.292 -2.584 1.00 0.00 C ATOM 75 CG LEU A 131 -1.746 3.898 -2.708 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.790 3.838 -3.888 1.00 0.00 C ATOM 77 CD2 LEU A 131 -1.031 3.516 -1.421 1.00 0.00 C ATOM 0 H LEU A 131 -4.842 6.198 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.689 4.474 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.593 5.661 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.617 5.965 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 131 -2.549 3.182 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.362 2.838 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.331 4.068 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.009 4.565 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.598 2.521 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.239 4.236 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.743 3.516 -0.595 1.00 0.00 H new ATOM 89 N SER A 132 -3.043 6.403 0.384 1.00 0.00 N ATOM 90 CA SER A 132 -2.934 7.492 1.349 1.00 0.00 C ATOM 91 C SER A 132 -1.575 8.181 1.240 1.00 0.00 C ATOM 92 O SER A 132 -0.621 7.610 0.712 1.00 0.00 O ATOM 93 CB SER A 132 -3.141 6.963 2.769 1.00 0.00 C ATOM 94 OG SER A 132 -3.840 5.731 2.758 1.00 0.00 O ATOM 0 H SER A 132 -2.678 5.509 0.714 1.00 0.00 H new ATOM 0 HA SER A 132 -3.710 8.224 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.175 6.832 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 132 -3.697 7.695 3.355 1.00 0.00 H new ATOM 0 HG SER A 132 -3.958 5.414 3.678 1.00 0.00 H new ATOM 100 N PRO A 133 -1.468 9.423 1.742 1.00 0.00 N ATOM 101 CA PRO A 133 -0.217 10.187 1.700 1.00 0.00 C ATOM 102 C PRO A 133 0.897 9.510 2.491 1.00 0.00 C ATOM 103 O PRO A 133 2.024 9.384 2.011 1.00 0.00 O ATOM 104 CB PRO A 133 -0.586 11.531 2.337 1.00 0.00 C ATOM 105 CG PRO A 133 -1.817 11.258 3.132 1.00 0.00 C ATOM 106 CD PRO A 133 -2.554 10.178 2.393 1.00 0.00 C ATOM 0 HA PRO A 133 0.166 10.280 0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.219 11.901 2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.768 12.291 1.577 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.566 10.938 4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.429 12.155 3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.134 9.550 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.252 10.591 1.665 1.00 0.00 H new ATOM 114 N ALA A 134 0.574 9.075 3.704 1.00 0.00 N ATOM 115 CA ALA A 134 1.548 8.407 4.558 1.00 0.00 C ATOM 116 C ALA A 134 2.056 7.124 3.909 1.00 0.00 C ATOM 117 O ALA A 134 3.264 6.876 3.853 1.00 0.00 O ATOM 118 CB ALA A 134 0.936 8.108 5.919 1.00 0.00 C ATOM 0 H ALA A 134 -0.353 9.173 4.117 1.00 0.00 H new ATOM 0 HA ALA A 134 2.398 9.075 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.673 7.609 6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.627 9.040 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.068 7.460 5.793 1.00 0.00 H new ATOM 124 N ILE A 135 1.130 6.309 3.414 1.00 0.00 N ATOM 125 CA ILE A 135 1.500 5.058 2.770 1.00 0.00 C ATOM 126 C ILE A 135 2.445 5.306 1.606 1.00 0.00 C ATOM 127 O ILE A 135 3.445 4.616 1.463 1.00 0.00 O ATOM 128 CB ILE A 135 0.276 4.276 2.260 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.693 3.994 3.410 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.723 2.975 1.598 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.912 3.199 2.994 1.00 0.00 C ATOM 0 H ILE A 135 0.127 6.492 3.447 1.00 0.00 H new ATOM 0 HA ILE A 135 1.998 4.458 3.532 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.244 4.881 1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.165 3.451 4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.017 4.941 3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.151 2.430 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.378 3.201 0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.261 2.364 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.554 3.037 3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.463 3.750 2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.598 2.237 2.590 1.00 0.00 H new ATOM 143 N ARG A 136 2.130 6.296 0.775 1.00 0.00 N ATOM 144 CA ARG A 136 2.978 6.610 -0.370 1.00 0.00 C ATOM 145 C ARG A 136 4.426 6.737 0.075 1.00 0.00 C ATOM 146 O ARG A 136 5.348 6.349 -0.643 1.00 0.00 O ATOM 147 CB ARG A 136 2.515 7.898 -1.052 1.00 0.00 C ATOM 148 CG ARG A 136 1.380 7.688 -2.043 1.00 0.00 C ATOM 149 CD ARG A 136 1.701 8.296 -3.399 1.00 0.00 C ATOM 150 NE ARG A 136 2.638 7.474 -4.161 1.00 0.00 N ATOM 151 CZ ARG A 136 2.288 6.379 -4.833 1.00 0.00 C ATOM 152 NH1 ARG A 136 1.024 5.973 -4.840 1.00 0.00 N ATOM 153 NH2 ARG A 136 3.203 5.690 -5.500 1.00 0.00 N ATOM 0 H ARG A 136 1.305 6.888 0.871 1.00 0.00 H new ATOM 0 HA ARG A 136 2.900 5.797 -1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.194 8.608 -0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.361 8.349 -1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.189 6.621 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.466 8.134 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 136 0.780 8.418 -3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.123 9.291 -3.259 1.00 0.00 H new ATOM 0 HE ARG A 136 3.618 7.755 -4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.316 6.501 -4.329 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.761 5.134 -5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 136 4.175 5.999 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 136 2.935 4.851 -6.015 1.00 0.00 H new ATOM 167 N ARG A 137 4.615 7.249 1.284 1.00 0.00 N ATOM 168 CA ARG A 137 5.945 7.389 1.846 1.00 0.00 C ATOM 169 C ARG A 137 6.475 6.010 2.209 1.00 0.00 C ATOM 170 O ARG A 137 7.638 5.689 1.967 1.00 0.00 O ATOM 171 CB ARG A 137 5.916 8.286 3.083 1.00 0.00 C ATOM 172 CG ARG A 137 5.322 9.661 2.822 1.00 0.00 C ATOM 173 CD ARG A 137 5.994 10.729 3.670 1.00 0.00 C ATOM 174 NE ARG A 137 5.315 10.918 4.951 1.00 0.00 N ATOM 175 CZ ARG A 137 4.185 11.606 5.095 1.00 0.00 C ATOM 176 NH1 ARG A 137 3.605 12.173 4.043 1.00 0.00 N ATOM 177 NH2 ARG A 137 3.632 11.728 6.294 1.00 0.00 N ATOM 0 H ARG A 137 3.862 7.573 1.891 1.00 0.00 H new ATOM 0 HA ARG A 137 6.600 7.853 1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.340 7.793 3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 137 6.932 8.404 3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 137 5.431 9.911 1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.254 9.644 3.037 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.033 10.450 3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.006 11.672 3.123 1.00 0.00 H new ATOM 0 HE ARG A 137 5.731 10.498 5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 137 4.026 12.082 3.118 1.00 0.00 H new ATOM 0 HH12 ARG A 137 2.739 12.699 4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 137 4.073 11.295 7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 137 2.766 12.255 6.405 1.00 0.00 H new ATOM 191 N LEU A 138 5.595 5.191 2.782 1.00 0.00 N ATOM 192 CA LEU A 138 5.959 3.833 3.169 1.00 0.00 C ATOM 193 C LEU A 138 6.365 3.010 1.949 1.00 0.00 C ATOM 194 O LEU A 138 7.447 2.424 1.921 1.00 0.00 O ATOM 195 CB LEU A 138 4.793 3.148 3.887 1.00 0.00 C ATOM 196 CG LEU A 138 5.080 1.721 4.354 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.209 1.710 5.373 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.827 1.085 4.939 1.00 0.00 C ATOM 0 H LEU A 138 4.629 5.445 2.987 1.00 0.00 H new ATOM 0 HA LEU A 138 6.809 3.896 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.513 3.749 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.932 3.131 3.219 1.00 0.00 H new ATOM 0 HG LEU A 138 5.390 1.134 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.399 0.686 5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.111 2.122 4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.927 2.314 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.053 0.070 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.485 1.672 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.045 1.057 4.180 1.00 0.00 H new ATOM 210 N LEU A 139 5.500 2.980 0.936 1.00 0.00 N ATOM 211 CA LEU A 139 5.784 2.236 -0.284 1.00 0.00 C ATOM 212 C LEU A 139 7.064 2.753 -0.917 1.00 0.00 C ATOM 213 O LEU A 139 7.883 1.983 -1.419 1.00 0.00 O ATOM 214 CB LEU A 139 4.622 2.359 -1.271 1.00 0.00 C ATOM 215 CG LEU A 139 3.450 1.410 -1.013 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.160 1.991 -1.570 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.728 0.044 -1.623 1.00 0.00 C ATOM 0 H LEU A 139 4.601 3.461 0.938 1.00 0.00 H new ATOM 0 HA LEU A 139 5.910 1.184 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.252 3.384 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 139 5.000 2.180 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 139 3.335 1.290 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.338 1.302 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.953 2.947 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.263 2.141 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.885 -0.619 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.870 0.148 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.629 -0.377 -1.177 1.00 0.00 H new ATOM 229 N ALA A 140 7.232 4.068 -0.870 1.00 0.00 N ATOM 230 CA ALA A 140 8.422 4.701 -1.419 1.00 0.00 C ATOM 231 C ALA A 140 9.661 4.247 -0.655 1.00 0.00 C ATOM 232 O ALA A 140 10.751 4.150 -1.219 1.00 0.00 O ATOM 233 CB ALA A 140 8.289 6.215 -1.367 1.00 0.00 C ATOM 0 H ALA A 140 6.560 4.715 -0.458 1.00 0.00 H new ATOM 0 HA ALA A 140 8.528 4.401 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.187 6.674 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.422 6.524 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.163 6.534 -0.332 1.00 0.00 H new ATOM 239 N GLU A 141 9.480 3.966 0.633 1.00 0.00 N ATOM 240 CA GLU A 141 10.572 3.516 1.483 1.00 0.00 C ATOM 241 C GLU A 141 10.954 2.077 1.161 1.00 0.00 C ATOM 242 O GLU A 141 12.129 1.759 0.977 1.00 0.00 O ATOM 243 CB GLU A 141 10.175 3.627 2.957 1.00 0.00 C ATOM 244 CG GLU A 141 9.921 5.054 3.413 1.00 0.00 C ATOM 245 CD GLU A 141 11.054 5.609 4.252 1.00 0.00 C ATOM 246 OE1 GLU A 141 11.549 4.882 5.139 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.449 6.772 4.021 1.00 0.00 O ATOM 0 H GLU A 141 8.582 4.043 1.110 1.00 0.00 H new ATOM 0 HA GLU A 141 11.434 4.155 1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.276 3.034 3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.964 3.193 3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.775 5.690 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.997 5.088 3.990 1.00 0.00 H new ATOM 254 N HIS A 142 9.949 1.214 1.095 1.00 0.00 N ATOM 255 CA HIS A 142 10.166 -0.197 0.795 1.00 0.00 C ATOM 256 C HIS A 142 10.616 -0.392 -0.652 1.00 0.00 C ATOM 257 O HIS A 142 11.074 -1.472 -1.026 1.00 0.00 O ATOM 258 CB HIS A 142 8.887 -0.996 1.056 1.00 0.00 C ATOM 259 CG HIS A 142 8.530 -1.104 2.507 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.977 -2.126 3.318 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.760 -0.313 3.293 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.496 -1.960 4.538 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.757 -0.867 4.548 1.00 0.00 N ATOM 0 H HIS A 142 8.972 1.466 1.246 1.00 0.00 H new ATOM 0 HA HIS A 142 10.957 -0.561 1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 142 8.061 -0.527 0.522 1.00 0.00 H new ATOM 0 HB3 HIS A 142 9.005 -1.998 0.644 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.584 -2.891 3.023 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.245 0.586 2.988 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.677 -2.608 5.383 1.00 0.00 H new ATOM 272 N ASN A 143 10.484 0.656 -1.463 1.00 0.00 N ATOM 273 CA ASN A 143 10.878 0.593 -2.868 1.00 0.00 C ATOM 274 C ASN A 143 9.944 -0.325 -3.652 1.00 0.00 C ATOM 275 O ASN A 143 10.376 -1.042 -4.555 1.00 0.00 O ATOM 276 CB ASN A 143 12.327 0.110 -2.996 1.00 0.00 C ATOM 277 CG ASN A 143 13.235 1.163 -3.603 1.00 0.00 C ATOM 278 OD1 ASN A 143 14.083 1.737 -2.918 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.061 1.422 -4.893 1.00 0.00 N ATOM 0 H ASN A 143 10.108 1.558 -1.171 1.00 0.00 H new ATOM 0 HA ASN A 143 10.805 1.597 -3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.703 -0.167 -2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 143 12.355 -0.789 -3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.642 2.121 -5.356 1.00 0.00 H new ATOM 0 HD22 ASN A 143 12.346 0.922 -5.422 1.00 0.00 H new ATOM 286 N LEU A 144 8.663 -0.297 -3.300 1.00 0.00 N ATOM 287 CA LEU A 144 7.668 -1.124 -3.970 1.00 0.00 C ATOM 288 C LEU A 144 6.883 -0.311 -4.993 1.00 0.00 C ATOM 289 O LEU A 144 7.109 0.888 -5.158 1.00 0.00 O ATOM 290 CB LEU A 144 6.707 -1.740 -2.951 1.00 0.00 C ATOM 291 CG LEU A 144 7.355 -2.194 -1.646 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.293 -2.560 -0.622 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.287 -3.370 -1.894 1.00 0.00 C ATOM 0 H LEU A 144 8.290 0.290 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 144 8.195 -1.924 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.931 -1.011 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 144 6.213 -2.596 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 144 7.944 -1.367 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.774 -2.881 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.666 -1.691 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.676 -3.370 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.740 -3.680 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.721 -4.201 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.069 -3.073 -2.593 1.00 0.00 H new ATOM 305 N ASP A 145 5.959 -0.976 -5.677 1.00 0.00 N ATOM 306 CA ASP A 145 5.135 -0.322 -6.686 1.00 0.00 C ATOM 307 C ASP A 145 3.654 -0.444 -6.341 1.00 0.00 C ATOM 308 O ASP A 145 3.155 -1.540 -6.086 1.00 0.00 O ATOM 309 CB ASP A 145 5.403 -0.930 -8.064 1.00 0.00 C ATOM 310 CG ASP A 145 4.891 -0.055 -9.191 1.00 0.00 C ATOM 311 OD1 ASP A 145 3.677 0.240 -9.211 1.00 0.00 O ATOM 312 OD2 ASP A 145 5.704 0.337 -10.055 1.00 0.00 O ATOM 0 H ASP A 145 5.762 -1.969 -5.551 1.00 0.00 H new ATOM 0 HA ASP A 145 5.398 0.736 -6.706 1.00 0.00 H new ATOM 0 HB2 ASP A 145 6.475 -1.086 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.929 -1.910 -8.124 1.00 0.00 H new ATOM 317 N ALA A 146 2.959 0.688 -6.338 1.00 0.00 N ATOM 318 CA ALA A 146 1.534 0.709 -6.025 1.00 0.00 C ATOM 319 C ALA A 146 0.748 -0.172 -6.990 1.00 0.00 C ATOM 320 O ALA A 146 -0.125 -0.935 -6.579 1.00 0.00 O ATOM 321 CB ALA A 146 1.010 2.136 -6.061 1.00 0.00 C ATOM 0 H ALA A 146 3.358 1.603 -6.549 1.00 0.00 H new ATOM 0 HA ALA A 146 1.400 0.309 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.054 2.139 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 146 1.545 2.739 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.163 2.555 -7.056 1.00 0.00 H new ATOM 327 N SER A 147 1.065 -0.059 -8.275 1.00 0.00 N ATOM 328 CA SER A 147 0.391 -0.845 -9.302 1.00 0.00 C ATOM 329 C SER A 147 0.607 -2.341 -9.079 1.00 0.00 C ATOM 330 O SER A 147 -0.167 -3.166 -9.563 1.00 0.00 O ATOM 331 CB SER A 147 0.893 -0.447 -10.691 1.00 0.00 C ATOM 332 OG SER A 147 -0.166 -0.428 -11.632 1.00 0.00 O ATOM 0 H SER A 147 1.785 0.570 -8.631 1.00 0.00 H new ATOM 0 HA SER A 147 -0.677 -0.639 -9.236 1.00 0.00 H new ATOM 0 HB2 SER A 147 1.359 0.537 -10.644 1.00 0.00 H new ATOM 0 HB3 SER A 147 1.661 -1.148 -11.018 1.00 0.00 H new ATOM 0 HG SER A 147 0.182 -0.169 -12.511 1.00 0.00 H new ATOM 338 N ALA A 148 1.664 -2.683 -8.346 1.00 0.00 N ATOM 339 CA ALA A 148 1.976 -4.080 -8.065 1.00 0.00 C ATOM 340 C ALA A 148 1.315 -4.554 -6.772 1.00 0.00 C ATOM 341 O ALA A 148 1.664 -5.606 -6.238 1.00 0.00 O ATOM 342 CB ALA A 148 3.483 -4.273 -7.987 1.00 0.00 C ATOM 0 H ALA A 148 2.316 -2.014 -7.938 1.00 0.00 H new ATOM 0 HA ALA A 148 1.578 -4.683 -8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.705 -5.319 -7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.936 -3.990 -8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.889 -3.649 -7.191 1.00 0.00 H new ATOM 348 N ILE A 149 0.355 -3.777 -6.273 1.00 0.00 N ATOM 349 CA ILE A 149 -0.350 -4.128 -5.047 1.00 0.00 C ATOM 350 C ILE A 149 -1.832 -3.788 -5.153 1.00 0.00 C ATOM 351 O ILE A 149 -2.234 -2.972 -5.984 1.00 0.00 O ATOM 352 CB ILE A 149 0.243 -3.398 -3.826 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.770 -3.513 -3.824 1.00 0.00 C ATOM 354 CG2 ILE A 149 -0.337 -3.962 -2.536 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.427 -2.822 -2.649 1.00 0.00 C ATOM 0 H ILE A 149 0.050 -2.902 -6.700 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.231 -5.203 -4.911 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.023 -2.343 -3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.047 -4.567 -3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.159 -3.088 -4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.092 -3.436 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.419 -3.831 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -0.100 -5.023 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.508 -2.945 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.181 -1.760 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.066 -3.263 -1.720 1.00 0.00 H new ATOM 367 N LYS A 150 -2.641 -4.417 -4.308 1.00 0.00 N ATOM 368 CA LYS A 150 -4.079 -4.181 -4.309 1.00 0.00 C ATOM 369 C LYS A 150 -4.557 -3.732 -2.933 1.00 0.00 C ATOM 370 O LYS A 150 -4.224 -4.345 -1.918 1.00 0.00 O ATOM 371 CB LYS A 150 -4.826 -5.447 -4.732 1.00 0.00 C ATOM 372 CG LYS A 150 -4.655 -5.790 -6.203 1.00 0.00 C ATOM 373 CD LYS A 150 -5.240 -7.154 -6.527 1.00 0.00 C ATOM 374 CE LYS A 150 -4.623 -7.740 -7.787 1.00 0.00 C ATOM 375 NZ LYS A 150 -3.590 -8.766 -7.475 1.00 0.00 N ATOM 0 H LYS A 150 -2.325 -5.094 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.290 -3.387 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -4.476 -6.285 -4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.887 -5.322 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.141 -5.030 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.596 -5.776 -6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -5.072 -7.831 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -6.319 -7.067 -6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.405 -8.188 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -4.174 -6.941 -8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.194 -9.141 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.830 -8.334 -6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.023 -9.542 -6.934 1.00 0.00 H new ATOM 389 N GLY A 151 -5.339 -2.658 -2.905 1.00 0.00 N ATOM 390 CA GLY A 151 -5.851 -2.146 -1.648 1.00 0.00 C ATOM 391 C GLY A 151 -7.203 -2.735 -1.293 1.00 0.00 C ATOM 392 O GLY A 151 -8.070 -2.877 -2.154 1.00 0.00 O ATOM 0 H GLY A 151 -5.627 -2.133 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.140 -2.368 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.934 -1.061 -1.708 1.00 0.00 H new ATOM 396 N THR A 152 -7.381 -3.083 -0.022 1.00 0.00 N ATOM 397 CA THR A 152 -8.637 -3.665 0.441 1.00 0.00 C ATOM 398 C THR A 152 -9.279 -2.802 1.525 1.00 0.00 C ATOM 399 O THR A 152 -10.001 -3.306 2.385 1.00 0.00 O ATOM 400 CB THR A 152 -8.400 -5.079 0.974 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.070 -5.222 1.441 1.00 0.00 O ATOM 402 CG2 THR A 152 -8.641 -6.157 -0.062 1.00 0.00 C ATOM 0 H THR A 152 -6.673 -2.973 0.704 1.00 0.00 H new ATOM 0 HA THR A 152 -9.319 -3.710 -0.408 1.00 0.00 H new ATOM 0 HB THR A 152 -9.119 -5.208 1.783 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.938 -6.132 1.779 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.455 -7.135 0.381 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.673 -6.105 -0.408 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.968 -6.007 -0.906 1.00 0.00 H new ATOM 410 N GLY A 153 -9.014 -1.500 1.477 1.00 0.00 N ATOM 411 CA GLY A 153 -9.578 -0.592 2.458 1.00 0.00 C ATOM 412 C GLY A 153 -11.094 -0.588 2.441 1.00 0.00 C ATOM 413 O GLY A 153 -11.720 -1.559 2.018 1.00 0.00 O ATOM 0 H GLY A 153 -8.419 -1.058 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.230 -0.874 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.213 0.417 2.267 1.00 0.00 H new ATOM 417 N VAL A 154 -11.686 0.510 2.901 1.00 0.00 N ATOM 418 CA VAL A 154 -13.137 0.636 2.934 1.00 0.00 C ATOM 419 C VAL A 154 -13.686 1.029 1.565 1.00 0.00 C ATOM 420 O VAL A 154 -14.182 2.140 1.377 1.00 0.00 O ATOM 421 CB VAL A 154 -13.588 1.677 3.977 1.00 0.00 C ATOM 422 CG1 VAL A 154 -15.100 1.649 4.141 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.895 1.432 5.309 1.00 0.00 C ATOM 0 H VAL A 154 -11.183 1.324 3.255 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.533 -0.340 3.214 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.303 2.667 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.399 2.391 4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.574 1.877 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.412 0.659 4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -13.225 2.176 6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.147 0.436 5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.816 1.508 5.177 1.00 0.00 H new ATOM 433 N GLY A 155 -13.593 0.107 0.612 1.00 0.00 N ATOM 434 CA GLY A 155 -14.084 0.375 -0.728 1.00 0.00 C ATOM 435 C GLY A 155 -12.973 0.415 -1.759 1.00 0.00 C ATOM 436 O GLY A 155 -13.099 1.073 -2.791 1.00 0.00 O ATOM 0 H GLY A 155 -13.187 -0.820 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.806 -0.393 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.614 1.328 -0.733 1.00 0.00 H new ATOM 440 N GLY A 156 -11.881 -0.291 -1.480 1.00 0.00 N ATOM 441 CA GLY A 156 -10.762 -0.319 -2.403 1.00 0.00 C ATOM 442 C GLY A 156 -9.706 0.715 -2.068 1.00 0.00 C ATOM 443 O GLY A 156 -9.282 1.483 -2.933 1.00 0.00 O ATOM 0 H GLY A 156 -11.752 -0.843 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -10.311 -1.311 -2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -11.126 -0.146 -3.416 1.00 0.00 H new ATOM 447 N ARG A 157 -9.278 0.737 -0.810 1.00 0.00 N ATOM 448 CA ARG A 157 -8.265 1.685 -0.362 1.00 0.00 C ATOM 449 C ARG A 157 -7.082 0.955 0.267 1.00 0.00 C ATOM 450 O ARG A 157 -7.215 0.327 1.316 1.00 0.00 O ATOM 451 CB ARG A 157 -8.859 2.674 0.647 1.00 0.00 C ATOM 452 CG ARG A 157 -10.322 3.006 0.396 1.00 0.00 C ATOM 453 CD ARG A 157 -10.617 4.471 0.671 1.00 0.00 C ATOM 454 NE ARG A 157 -11.883 4.651 1.379 1.00 0.00 N ATOM 455 CZ ARG A 157 -12.531 5.811 1.456 1.00 0.00 C ATOM 456 NH1 ARG A 157 -12.035 6.896 0.873 1.00 0.00 N ATOM 457 NH2 ARG A 157 -13.676 5.887 2.120 1.00 0.00 N ATOM 0 H ARG A 157 -9.618 0.108 -0.082 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.914 2.237 -1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.757 2.260 1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.278 3.596 0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -10.577 2.770 -0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.952 2.382 1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.807 4.899 1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.648 5.018 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 157 -12.294 3.840 1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -11.153 6.843 0.363 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -12.536 7.782 0.935 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -14.060 5.057 2.571 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -14.173 6.776 2.179 1.00 0.00 H new ATOM 471 N LEU A 158 -5.924 1.042 -0.378 1.00 0.00 N ATOM 472 CA LEU A 158 -4.721 0.388 0.125 1.00 0.00 C ATOM 473 C LEU A 158 -4.430 0.818 1.559 1.00 0.00 C ATOM 474 O LEU A 158 -4.623 1.980 1.918 1.00 0.00 O ATOM 475 CB LEU A 158 -3.526 0.708 -0.778 1.00 0.00 C ATOM 476 CG LEU A 158 -2.327 -0.241 -0.656 1.00 0.00 C ATOM 477 CD1 LEU A 158 -2.780 -1.692 -0.600 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.373 -0.033 -1.820 1.00 0.00 C ATOM 0 H LEU A 158 -5.793 1.558 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.889 -0.689 0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.865 0.704 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -3.188 1.721 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 158 -1.807 -0.013 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -1.909 -2.342 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -3.429 -1.838 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -3.327 -1.938 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.526 -0.712 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -1.893 -0.234 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.015 0.996 -1.817 1.00 0.00 H new ATOM 490 N THR A 159 -3.979 -0.125 2.379 1.00 0.00 N ATOM 491 CA THR A 159 -3.678 0.162 3.777 1.00 0.00 C ATOM 492 C THR A 159 -2.317 -0.393 4.181 1.00 0.00 C ATOM 493 O THR A 159 -1.756 -1.256 3.501 1.00 0.00 O ATOM 494 CB THR A 159 -4.762 -0.431 4.678 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.288 -1.619 4.114 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.919 0.510 4.924 1.00 0.00 C ATOM 0 H THR A 159 -3.814 -1.092 2.101 1.00 0.00 H new ATOM 0 HA THR A 159 -3.652 1.245 3.896 1.00 0.00 H new ATOM 0 HB THR A 159 -4.268 -0.629 5.629 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.687 -1.941 3.410 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.651 0.026 5.570 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.554 1.417 5.405 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.388 0.767 3.974 1.00 0.00 H new ATOM 504 N ARG A 160 -1.796 0.100 5.303 1.00 0.00 N ATOM 505 CA ARG A 160 -0.506 -0.353 5.808 1.00 0.00 C ATOM 506 C ARG A 160 -0.516 -1.866 5.989 1.00 0.00 C ATOM 507 O ARG A 160 0.502 -2.532 5.802 1.00 0.00 O ATOM 508 CB ARG A 160 -0.181 0.334 7.135 1.00 0.00 C ATOM 509 CG ARG A 160 1.176 -0.051 7.702 1.00 0.00 C ATOM 510 CD ARG A 160 1.506 0.742 8.958 1.00 0.00 C ATOM 511 NE ARG A 160 0.403 0.734 9.917 1.00 0.00 N ATOM 512 CZ ARG A 160 -0.569 1.645 9.946 1.00 0.00 C ATOM 513 NH1 ARG A 160 -0.583 2.644 9.071 1.00 0.00 N ATOM 514 NH2 ARG A 160 -1.529 1.559 10.856 1.00 0.00 N ATOM 0 H ARG A 160 -2.248 0.812 5.877 1.00 0.00 H new ATOM 0 HA ARG A 160 0.264 -0.089 5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.213 1.414 6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.954 0.085 7.862 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.186 -1.117 7.931 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.947 0.120 6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.397 0.324 9.427 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.742 1.771 8.686 1.00 0.00 H new ATOM 0 HE ARG A 160 0.376 -0.016 10.608 1.00 0.00 H new ATOM 0 HH11 ARG A 160 0.154 2.718 8.370 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -1.331 3.337 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -1.523 0.796 11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -2.274 2.256 10.879 1.00 0.00 H new ATOM 528 N GLU A 161 -1.683 -2.402 6.334 1.00 0.00 N ATOM 529 CA GLU A 161 -1.830 -3.839 6.517 1.00 0.00 C ATOM 530 C GLU A 161 -1.605 -4.553 5.191 1.00 0.00 C ATOM 531 O GLU A 161 -1.001 -5.624 5.143 1.00 0.00 O ATOM 532 CB GLU A 161 -3.221 -4.168 7.063 1.00 0.00 C ATOM 533 CG GLU A 161 -3.578 -3.399 8.325 1.00 0.00 C ATOM 534 CD GLU A 161 -3.975 -4.310 9.471 1.00 0.00 C ATOM 535 OE1 GLU A 161 -4.676 -5.312 9.217 1.00 0.00 O ATOM 536 OE2 GLU A 161 -3.583 -4.020 10.621 1.00 0.00 O ATOM 0 H GLU A 161 -2.536 -1.865 6.491 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.086 -4.180 7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.964 -3.953 6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.277 -5.237 7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.726 -2.790 8.628 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.398 -2.714 8.109 1.00 0.00 H new ATOM 543 N ASP A 162 -2.084 -3.937 4.114 1.00 0.00 N ATOM 544 CA ASP A 162 -1.926 -4.496 2.780 1.00 0.00 C ATOM 545 C ASP A 162 -0.452 -4.530 2.400 1.00 0.00 C ATOM 546 O ASP A 162 0.046 -5.529 1.881 1.00 0.00 O ATOM 547 CB ASP A 162 -2.714 -3.673 1.761 1.00 0.00 C ATOM 548 CG ASP A 162 -4.212 -3.810 1.940 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.674 -4.929 2.246 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.925 -2.797 1.776 1.00 0.00 O ATOM 0 H ASP A 162 -2.585 -3.049 4.142 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.315 -5.514 2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.435 -2.623 1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.441 -3.989 0.754 1.00 0.00 H new ATOM 555 N VAL A 163 0.245 -3.431 2.673 1.00 0.00 N ATOM 556 CA VAL A 163 1.667 -3.337 2.372 1.00 0.00 C ATOM 557 C VAL A 163 2.447 -4.404 3.132 1.00 0.00 C ATOM 558 O VAL A 163 3.405 -4.978 2.612 1.00 0.00 O ATOM 559 CB VAL A 163 2.233 -1.949 2.731 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.693 -1.840 2.317 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.408 -0.849 2.081 1.00 0.00 C ATOM 0 H VAL A 163 -0.152 -2.595 3.101 1.00 0.00 H new ATOM 0 HA VAL A 163 1.779 -3.493 1.299 1.00 0.00 H new ATOM 0 HB VAL A 163 2.175 -1.827 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.073 -0.853 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.276 -2.602 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 163 3.778 -1.987 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.824 0.123 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.430 -0.969 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.378 -0.911 2.432 1.00 0.00 H new ATOM 571 N GLU A 164 2.026 -4.668 4.366 1.00 0.00 N ATOM 572 CA GLU A 164 2.680 -5.669 5.200 1.00 0.00 C ATOM 573 C GLU A 164 2.534 -7.058 4.588 1.00 0.00 C ATOM 574 O GLU A 164 3.510 -7.798 4.465 1.00 0.00 O ATOM 575 CB GLU A 164 2.091 -5.655 6.611 1.00 0.00 C ATOM 576 CG GLU A 164 2.699 -4.594 7.514 1.00 0.00 C ATOM 577 CD GLU A 164 3.301 -5.176 8.778 1.00 0.00 C ATOM 578 OE1 GLU A 164 2.785 -6.207 9.260 1.00 0.00 O ATOM 579 OE2 GLU A 164 4.290 -4.604 9.284 1.00 0.00 O ATOM 0 H GLU A 164 1.235 -4.202 4.810 1.00 0.00 H new ATOM 0 HA GLU A 164 3.740 -5.424 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 164 1.015 -5.491 6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.237 -6.635 7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.470 -4.054 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.931 -3.868 7.783 1.00 0.00 H new ATOM 586 N LYS A 165 1.309 -7.405 4.202 1.00 0.00 N ATOM 587 CA LYS A 165 1.039 -8.704 3.599 1.00 0.00 C ATOM 588 C LYS A 165 1.839 -8.877 2.312 1.00 0.00 C ATOM 589 O LYS A 165 2.303 -9.975 2.000 1.00 0.00 O ATOM 590 CB LYS A 165 -0.455 -8.859 3.308 1.00 0.00 C ATOM 591 CG LYS A 165 -1.330 -8.812 4.551 1.00 0.00 C ATOM 592 CD LYS A 165 -0.839 -9.779 5.617 1.00 0.00 C ATOM 593 CE LYS A 165 -1.996 -10.446 6.343 1.00 0.00 C ATOM 594 NZ LYS A 165 -2.431 -11.700 5.666 1.00 0.00 N ATOM 0 H LYS A 165 0.490 -6.805 4.296 1.00 0.00 H new ATOM 0 HA LYS A 165 1.343 -9.476 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.767 -8.068 2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.619 -9.806 2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.338 -7.799 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.358 -9.056 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -0.210 -10.541 5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -0.217 -9.245 6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -1.700 -10.671 7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -2.836 -9.754 6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -3.222 -12.123 6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -2.738 -11.482 4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -1.637 -12.371 5.635 1.00 0.00 H new ATOM 608 N TRP A 166 1.996 -7.787 1.569 1.00 0.00 N ATOM 609 CA TRP A 166 2.740 -7.815 0.317 1.00 0.00 C ATOM 610 C TRP A 166 4.239 -7.924 0.578 1.00 0.00 C ATOM 611 O TRP A 166 4.940 -8.695 -0.076 1.00 0.00 O ATOM 612 CB TRP A 166 2.445 -6.560 -0.505 1.00 0.00 C ATOM 613 CG TRP A 166 3.033 -6.599 -1.882 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.088 -5.865 -2.344 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.601 -7.415 -2.977 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.337 -6.175 -3.659 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.438 -7.124 -4.071 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.586 -8.364 -3.139 1.00 0.00 C ATOM 619 CZ2 TRP A 166 3.292 -7.747 -5.307 1.00 0.00 C ATOM 620 CZ3 TRP A 166 1.443 -8.981 -4.366 1.00 0.00 C ATOM 621 CH2 TRP A 166 2.292 -8.671 -5.436 1.00 0.00 C ATOM 0 H TRP A 166 1.617 -6.872 1.813 1.00 0.00 H new ATOM 0 HA TRP A 166 2.422 -8.692 -0.246 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.365 -6.431 -0.582 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.833 -5.689 0.023 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.645 -5.146 -1.761 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.072 -5.765 -4.235 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.927 -8.609 -2.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 3.945 -7.509 -6.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 0.663 -9.715 -4.503 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.154 -9.172 -6.383 1.00 0.00 H new ATOM 632 N LEU A 167 4.724 -7.145 1.540 1.00 0.00 N ATOM 633 CA LEU A 167 6.139 -7.153 1.890 1.00 0.00 C ATOM 634 C LEU A 167 6.586 -8.544 2.325 1.00 0.00 C ATOM 635 O LEU A 167 7.700 -8.972 2.026 1.00 0.00 O ATOM 636 CB LEU A 167 6.416 -6.143 3.005 1.00 0.00 C ATOM 637 CG LEU A 167 6.515 -4.686 2.548 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.240 -3.743 3.711 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.885 -4.409 1.947 1.00 0.00 C ATOM 0 H LEU A 167 4.157 -6.500 2.091 1.00 0.00 H new ATOM 0 HA LEU A 167 6.707 -6.871 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.625 -6.221 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.348 -6.417 3.500 1.00 0.00 H new ATOM 0 HG LEU A 167 5.761 -4.513 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.315 -2.711 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.237 -3.925 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.971 -3.917 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.938 -3.368 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.655 -4.599 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.044 -5.061 1.088 1.00 0.00 H new ATOM 651 N ALA A 168 5.707 -9.243 3.033 1.00 0.00 N ATOM 652 CA ALA A 168 6.006 -10.588 3.511 1.00 0.00 C ATOM 653 C ALA A 168 5.951 -11.600 2.372 1.00 0.00 C ATOM 654 O ALA A 168 6.639 -12.621 2.402 1.00 0.00 O ATOM 655 CB ALA A 168 5.039 -10.982 4.617 1.00 0.00 C ATOM 0 H ALA A 168 4.781 -8.901 3.289 1.00 0.00 H new ATOM 0 HA ALA A 168 7.019 -10.587 3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.274 -11.988 4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.130 -10.281 5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 168 4.019 -10.959 4.234 1.00 0.00 H new ATOM 661 N LYS A 169 5.128 -11.311 1.368 1.00 0.00 N ATOM 662 CA LYS A 169 4.984 -12.198 0.219 1.00 0.00 C ATOM 663 C LYS A 169 5.844 -11.722 -0.947 1.00 0.00 C ATOM 664 O LYS A 169 5.475 -11.885 -2.110 1.00 0.00 O ATOM 665 CB LYS A 169 3.517 -12.273 -0.211 1.00 0.00 C ATOM 666 CG LYS A 169 3.191 -13.500 -1.049 1.00 0.00 C ATOM 667 CD LYS A 169 2.283 -14.463 -0.300 1.00 0.00 C ATOM 668 CE LYS A 169 2.477 -15.894 -0.774 1.00 0.00 C ATOM 669 NZ LYS A 169 3.419 -16.646 0.098 1.00 0.00 N ATOM 0 H LYS A 169 4.552 -10.470 1.327 1.00 0.00 H new ATOM 0 HA LYS A 169 5.321 -13.192 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.886 -12.272 0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.267 -11.378 -0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.709 -13.191 -1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 169 4.114 -14.009 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 169 2.488 -14.402 0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.243 -14.169 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 169 1.514 -16.404 -0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 169 2.854 -15.889 -1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 3.523 -17.617 -0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 4.346 -16.174 0.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 3.047 -16.673 1.069 1.00 0.00 H new ATOM 683 N ALA A 170 6.991 -11.132 -0.629 1.00 0.00 N ATOM 684 CA ALA A 170 7.903 -10.633 -1.650 1.00 0.00 C ATOM 685 C ALA A 170 9.332 -11.094 -1.383 1.00 0.00 C ATOM 686 O ALA A 170 9.800 -12.006 -2.095 1.00 0.00 O ATOM 687 CB ALA A 170 7.841 -9.114 -1.715 1.00 0.00 C ATOM 688 OXT ALA A 170 9.971 -10.538 -0.465 1.00 0.00 O ATOM 0 H ALA A 170 7.311 -10.988 0.329 1.00 0.00 H new ATOM 0 HA ALA A 170 7.591 -11.041 -2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.527 -8.754 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.826 -8.801 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 170 8.125 -8.697 -0.749 1.00 0.00 H new TER 694 ALA A 170