USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=6 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 Set 1.1: A 152 THR OG1 : rot 6:sc= 0.19 USER MOD Set 1.2: A 159 THR OG1 : rot -49:sc= 0.0814 USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 ASN : amide:sc= -0.485 X(o=-0.49,f=0) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 132 SER OG : rot -110:sc= -0.559 USER MOD Single : A 142 HIS : no HE2:sc= -7.57 K(o=-7.6,f=-9.4!) USER MOD Single : A 143 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.018) USER MOD Single : A 147 SER OG : rot -75:sc= -0.103 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ -154:sc= -0.0204 (180deg=-0.318) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 126 -13.938 14.722 -4.914 1.00 0.00 N ATOM 2 CA GLN A 126 -14.125 13.957 -3.654 1.00 0.00 C ATOM 3 C GLN A 126 -14.454 12.495 -3.939 1.00 0.00 C ATOM 4 O GLN A 126 -15.616 12.091 -3.904 1.00 0.00 O ATOM 5 CB GLN A 126 -15.256 14.605 -2.852 1.00 0.00 C ATOM 6 CG GLN A 126 -16.528 14.816 -3.658 1.00 0.00 C ATOM 7 CD GLN A 126 -16.762 16.272 -4.008 1.00 0.00 C ATOM 8 OE1 GLN A 126 -16.390 16.730 -5.089 1.00 0.00 O ATOM 9 NE2 GLN A 126 -17.382 17.009 -3.093 1.00 0.00 N ATOM 0 HA GLN A 126 -13.197 13.980 -3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -15.482 13.980 -1.988 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -14.914 15.567 -2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -16.474 14.230 -4.575 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -17.380 14.441 -3.090 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -17.673 16.588 -2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -17.567 17.996 -3.273 1.00 0.00 H new ATOM 20 N ASN A 127 -13.422 11.707 -4.223 1.00 0.00 N ATOM 21 CA ASN A 127 -13.601 10.289 -4.515 1.00 0.00 C ATOM 22 C ASN A 127 -12.722 9.431 -3.610 1.00 0.00 C ATOM 23 O ASN A 127 -11.901 9.950 -2.854 1.00 0.00 O ATOM 24 CB ASN A 127 -13.274 10.004 -5.982 1.00 0.00 C ATOM 25 CG ASN A 127 -14.330 10.544 -6.926 1.00 0.00 C ATOM 26 OD1 ASN A 127 -15.055 9.782 -7.567 1.00 0.00 O ATOM 27 ND2 ASN A 127 -14.423 11.865 -7.016 1.00 0.00 N ATOM 0 H ASN A 127 -12.454 12.026 -4.257 1.00 0.00 H new ATOM 0 HA ASN A 127 -14.644 10.034 -4.326 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -12.309 10.447 -6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -13.177 8.928 -6.127 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -15.116 12.287 -7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -13.802 12.459 -6.466 1.00 0.00 H new ATOM 34 N ASN A 128 -12.899 8.117 -3.694 1.00 0.00 N ATOM 35 CA ASN A 128 -12.122 7.188 -2.883 1.00 0.00 C ATOM 36 C ASN A 128 -10.635 7.298 -3.202 1.00 0.00 C ATOM 37 O ASN A 128 -10.215 7.065 -4.336 1.00 0.00 O ATOM 38 CB ASN A 128 -12.600 5.753 -3.114 1.00 0.00 C ATOM 39 CG ASN A 128 -14.058 5.563 -2.741 1.00 0.00 C ATOM 40 OD1 ASN A 128 -14.501 6.001 -1.679 1.00 0.00 O ATOM 41 ND2 ASN A 128 -14.810 4.904 -3.614 1.00 0.00 N ATOM 0 H ASN A 128 -13.574 7.672 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 128 -12.270 7.449 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -12.459 5.490 -4.162 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -11.986 5.069 -2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -15.798 4.743 -3.417 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -14.400 4.559 -4.482 1.00 0.00 H new ATOM 48 N ASP A 129 -9.843 7.654 -2.196 1.00 0.00 N ATOM 49 CA ASP A 129 -8.402 7.795 -2.371 1.00 0.00 C ATOM 50 C ASP A 129 -7.748 6.436 -2.603 1.00 0.00 C ATOM 51 O ASP A 129 -8.011 5.478 -1.877 1.00 0.00 O ATOM 52 CB ASP A 129 -7.782 8.469 -1.145 1.00 0.00 C ATOM 53 CG ASP A 129 -8.370 9.841 -0.881 1.00 0.00 C ATOM 54 OD1 ASP A 129 -8.223 10.728 -1.748 1.00 0.00 O ATOM 55 OD2 ASP A 129 -8.980 10.027 0.193 1.00 0.00 O ATOM 0 H ASP A 129 -10.174 7.850 -1.251 1.00 0.00 H new ATOM 0 HA ASP A 129 -8.226 8.418 -3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -7.934 7.837 -0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.705 8.560 -1.289 1.00 0.00 H new ATOM 60 N ALA A 130 -6.896 6.361 -3.620 1.00 0.00 N ATOM 61 CA ALA A 130 -6.205 5.120 -3.947 1.00 0.00 C ATOM 62 C ALA A 130 -5.072 4.848 -2.967 1.00 0.00 C ATOM 63 O ALA A 130 -4.980 3.765 -2.390 1.00 0.00 O ATOM 64 CB ALA A 130 -5.672 5.173 -5.372 1.00 0.00 C ATOM 0 H ALA A 130 -6.668 7.145 -4.232 1.00 0.00 H new ATOM 0 HA ALA A 130 -6.922 4.302 -3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.158 4.240 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.501 5.312 -6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -4.974 6.005 -5.469 1.00 0.00 H new ATOM 70 N LEU A 131 -4.210 5.839 -2.789 1.00 0.00 N ATOM 71 CA LEU A 131 -3.077 5.716 -1.880 1.00 0.00 C ATOM 72 C LEU A 131 -3.180 6.724 -0.740 1.00 0.00 C ATOM 73 O LEU A 131 -3.653 7.845 -0.929 1.00 0.00 O ATOM 74 CB LEU A 131 -1.766 5.919 -2.642 1.00 0.00 C ATOM 75 CG LEU A 131 -1.082 4.632 -3.108 1.00 0.00 C ATOM 76 CD1 LEU A 131 0.063 4.949 -4.056 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.583 3.833 -1.913 1.00 0.00 C ATOM 0 H LEU A 131 -4.273 6.740 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.091 4.713 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.963 6.544 -3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.074 6.470 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.813 4.028 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.537 4.021 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.322 5.480 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.796 5.574 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.099 2.921 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.133 4.431 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.425 3.574 -1.271 1.00 0.00 H new ATOM 89 N SER A 132 -2.733 6.318 0.444 1.00 0.00 N ATOM 90 CA SER A 132 -2.774 7.186 1.615 1.00 0.00 C ATOM 91 C SER A 132 -1.510 8.038 1.705 1.00 0.00 C ATOM 92 O SER A 132 -0.448 7.637 1.231 1.00 0.00 O ATOM 93 CB SER A 132 -2.932 6.353 2.888 1.00 0.00 C ATOM 94 OG SER A 132 -3.694 7.046 3.861 1.00 0.00 O ATOM 0 H SER A 132 -2.338 5.394 0.618 1.00 0.00 H new ATOM 0 HA SER A 132 -3.633 7.850 1.514 1.00 0.00 H new ATOM 0 HB2 SER A 132 -3.417 5.406 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.949 6.114 3.294 1.00 0.00 H new ATOM 0 HG SER A 132 -3.113 7.311 4.604 1.00 0.00 H new ATOM 100 N PRO A 133 -1.608 9.232 2.315 1.00 0.00 N ATOM 101 CA PRO A 133 -0.466 10.140 2.462 1.00 0.00 C ATOM 102 C PRO A 133 0.721 9.470 3.144 1.00 0.00 C ATOM 103 O PRO A 133 1.825 9.437 2.601 1.00 0.00 O ATOM 104 CB PRO A 133 -1.015 11.272 3.335 1.00 0.00 C ATOM 105 CG PRO A 133 -2.490 11.235 3.127 1.00 0.00 C ATOM 106 CD PRO A 133 -2.838 9.790 2.906 1.00 0.00 C ATOM 0 HA PRO A 133 -0.089 10.476 1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.760 11.121 4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.598 12.235 3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.017 11.636 3.993 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.779 11.842 2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.098 9.291 3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.692 9.679 2.237 1.00 0.00 H new ATOM 114 N ALA A 134 0.490 8.935 4.338 1.00 0.00 N ATOM 115 CA ALA A 134 1.542 8.264 5.091 1.00 0.00 C ATOM 116 C ALA A 134 2.036 7.025 4.353 1.00 0.00 C ATOM 117 O ALA A 134 3.244 6.805 4.216 1.00 0.00 O ATOM 118 CB ALA A 134 1.040 7.891 6.478 1.00 0.00 C ATOM 0 H ALA A 134 -0.417 8.953 4.805 1.00 0.00 H new ATOM 0 HA ALA A 134 2.381 8.953 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.835 7.390 7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.740 8.793 7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.184 7.222 6.387 1.00 0.00 H new ATOM 124 N ILE A 135 1.098 6.216 3.872 1.00 0.00 N ATOM 125 CA ILE A 135 1.452 5.004 3.149 1.00 0.00 C ATOM 126 C ILE A 135 2.328 5.324 1.950 1.00 0.00 C ATOM 127 O ILE A 135 3.323 4.650 1.713 1.00 0.00 O ATOM 128 CB ILE A 135 0.211 4.230 2.670 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.683 3.873 3.858 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.635 2.973 1.914 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.977 3.198 3.460 1.00 0.00 C ATOM 0 H ILE A 135 0.096 6.377 3.969 1.00 0.00 H new ATOM 0 HA ILE A 135 2.001 4.376 3.850 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.360 4.864 1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.133 3.216 4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.913 4.781 4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.251 2.433 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.236 3.254 1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.223 2.333 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.560 2.974 4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.548 3.861 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.756 2.272 2.929 1.00 0.00 H new ATOM 143 N ARG A 136 1.965 6.356 1.194 1.00 0.00 N ATOM 144 CA ARG A 136 2.746 6.741 0.026 1.00 0.00 C ATOM 145 C ARG A 136 4.218 6.857 0.403 1.00 0.00 C ATOM 146 O ARG A 136 5.103 6.504 -0.376 1.00 0.00 O ATOM 147 CB ARG A 136 2.214 8.052 -0.568 1.00 0.00 C ATOM 148 CG ARG A 136 3.070 9.262 -0.252 1.00 0.00 C ATOM 149 CD ARG A 136 2.484 10.534 -0.843 1.00 0.00 C ATOM 150 NE ARG A 136 3.226 11.722 -0.430 1.00 0.00 N ATOM 151 CZ ARG A 136 3.166 12.891 -1.064 1.00 0.00 C ATOM 152 NH1 ARG A 136 2.402 13.033 -2.140 1.00 0.00 N ATOM 153 NH2 ARG A 136 3.874 13.922 -0.621 1.00 0.00 N ATOM 0 H ARG A 136 1.143 6.935 1.368 1.00 0.00 H new ATOM 0 HA ARG A 136 2.650 5.971 -0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.139 7.945 -1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.205 8.226 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.161 9.371 0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.076 9.109 -0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.489 10.464 -1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.443 10.631 -0.534 1.00 0.00 H new ATOM 0 HE ARG A 136 3.825 11.652 0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 136 1.856 12.244 -2.486 1.00 0.00 H new ATOM 0 HH12 ARG A 136 2.361 13.931 -2.621 1.00 0.00 H new ATOM 0 HH21 ARG A 136 4.464 13.819 0.205 1.00 0.00 H new ATOM 0 HH22 ARG A 136 3.829 14.818 -1.106 1.00 0.00 H new ATOM 167 N ARG A 137 4.465 7.323 1.621 1.00 0.00 N ATOM 168 CA ARG A 137 5.821 7.447 2.121 1.00 0.00 C ATOM 169 C ARG A 137 6.381 6.058 2.383 1.00 0.00 C ATOM 170 O ARG A 137 7.535 5.767 2.070 1.00 0.00 O ATOM 171 CB ARG A 137 5.845 8.274 3.407 1.00 0.00 C ATOM 172 CG ARG A 137 7.245 8.522 3.946 1.00 0.00 C ATOM 173 CD ARG A 137 7.703 9.946 3.680 1.00 0.00 C ATOM 174 NE ARG A 137 8.476 10.490 4.794 1.00 0.00 N ATOM 175 CZ ARG A 137 7.931 10.953 5.917 1.00 0.00 C ATOM 176 NH1 ARG A 137 6.614 10.940 6.079 1.00 0.00 N ATOM 177 NH2 ARG A 137 8.707 11.428 6.883 1.00 0.00 N ATOM 0 H ARG A 137 3.743 7.620 2.277 1.00 0.00 H new ATOM 0 HA ARG A 137 6.434 7.957 1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.361 9.233 3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.257 7.762 4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 137 7.262 8.328 5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 137 7.942 7.823 3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 137 8.308 9.969 2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.834 10.578 3.499 1.00 0.00 H new ATOM 0 HE ARG A 137 9.492 10.517 4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 137 6.013 10.574 5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 137 6.203 11.296 6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 137 9.720 11.438 6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 137 8.290 11.783 7.744 1.00 0.00 H new ATOM 191 N LEU A 138 5.540 5.200 2.954 1.00 0.00 N ATOM 192 CA LEU A 138 5.935 3.828 3.252 1.00 0.00 C ATOM 193 C LEU A 138 6.289 3.073 1.973 1.00 0.00 C ATOM 194 O LEU A 138 7.374 2.502 1.861 1.00 0.00 O ATOM 195 CB LEU A 138 4.813 3.096 3.990 1.00 0.00 C ATOM 196 CG LEU A 138 5.137 1.651 4.372 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.277 1.609 5.377 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.907 0.954 4.932 1.00 0.00 C ATOM 0 H LEU A 138 4.582 5.431 3.219 1.00 0.00 H new ATOM 0 HA LEU A 138 6.817 3.865 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.570 3.651 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.921 3.101 3.364 1.00 0.00 H new ATOM 0 HG LEU A 138 5.450 1.121 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.494 0.573 5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.164 2.067 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.991 2.157 6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.160 -0.073 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.561 1.484 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.117 0.951 4.181 1.00 0.00 H new ATOM 210 N LEU A 139 5.376 3.082 1.004 1.00 0.00 N ATOM 211 CA LEU A 139 5.606 2.404 -0.265 1.00 0.00 C ATOM 212 C LEU A 139 6.831 2.986 -0.947 1.00 0.00 C ATOM 213 O LEU A 139 7.609 2.270 -1.580 1.00 0.00 O ATOM 214 CB LEU A 139 4.383 2.540 -1.175 1.00 0.00 C ATOM 215 CG LEU A 139 3.251 1.553 -0.889 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.940 2.061 -1.470 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.588 0.180 -1.451 1.00 0.00 C ATOM 0 H LEU A 139 4.473 3.551 1.075 1.00 0.00 H new ATOM 0 HA LEU A 139 5.775 1.345 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.992 3.554 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.703 2.413 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 139 3.136 1.464 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.146 1.345 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.692 3.023 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.042 2.179 -2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.772 -0.510 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.730 0.253 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.504 -0.188 -0.988 1.00 0.00 H new ATOM 229 N ALA A 140 7.001 4.293 -0.796 1.00 0.00 N ATOM 230 CA ALA A 140 8.143 4.985 -1.379 1.00 0.00 C ATOM 231 C ALA A 140 9.438 4.500 -0.738 1.00 0.00 C ATOM 232 O ALA A 140 10.480 4.432 -1.390 1.00 0.00 O ATOM 233 CB ALA A 140 7.994 6.490 -1.210 1.00 0.00 C ATOM 0 H ALA A 140 6.363 4.895 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 140 8.180 4.761 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.855 6.993 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.084 6.824 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.936 6.733 -0.149 1.00 0.00 H new ATOM 239 N GLU A 141 9.359 4.158 0.545 1.00 0.00 N ATOM 240 CA GLU A 141 10.514 3.671 1.284 1.00 0.00 C ATOM 241 C GLU A 141 10.841 2.238 0.887 1.00 0.00 C ATOM 242 O GLU A 141 11.988 1.909 0.586 1.00 0.00 O ATOM 243 CB GLU A 141 10.253 3.747 2.790 1.00 0.00 C ATOM 244 CG GLU A 141 10.120 5.168 3.313 1.00 0.00 C ATOM 245 CD GLU A 141 11.444 5.744 3.776 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.336 5.941 2.924 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.589 5.996 4.990 1.00 0.00 O ATOM 0 H GLU A 141 8.501 4.211 1.094 1.00 0.00 H new ATOM 0 HA GLU A 141 11.367 4.304 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.341 3.197 3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.067 3.249 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.706 5.803 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.412 5.182 4.142 1.00 0.00 H new ATOM 254 N HIS A 142 9.820 1.391 0.887 1.00 0.00 N ATOM 255 CA HIS A 142 9.984 -0.011 0.523 1.00 0.00 C ATOM 256 C HIS A 142 10.302 -0.156 -0.964 1.00 0.00 C ATOM 257 O HIS A 142 10.782 -1.201 -1.404 1.00 0.00 O ATOM 258 CB HIS A 142 8.718 -0.800 0.861 1.00 0.00 C ATOM 259 CG HIS A 142 8.494 -0.986 2.331 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.962 -2.077 3.033 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.840 -0.215 3.232 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.603 -1.968 4.301 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.924 -0.848 4.447 1.00 0.00 N ATOM 0 H HIS A 142 8.866 1.651 1.136 1.00 0.00 H new ATOM 0 HA HIS A 142 10.820 -0.412 1.097 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.857 -0.286 0.434 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.774 -1.779 0.385 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.501 -2.847 2.636 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.344 0.723 3.032 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.828 -2.677 5.084 1.00 0.00 H new ATOM 272 N ASN A 143 10.029 0.896 -1.733 1.00 0.00 N ATOM 273 CA ASN A 143 10.283 0.882 -3.170 1.00 0.00 C ATOM 274 C ASN A 143 9.361 -0.110 -3.871 1.00 0.00 C ATOM 275 O ASN A 143 9.805 -0.917 -4.689 1.00 0.00 O ATOM 276 CB ASN A 143 11.746 0.531 -3.453 1.00 0.00 C ATOM 277 CG ASN A 143 12.711 1.379 -2.646 1.00 0.00 C ATOM 278 OD1 ASN A 143 13.464 0.865 -1.819 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.691 2.684 -2.883 1.00 0.00 N ATOM 0 H ASN A 143 9.632 1.768 -1.384 1.00 0.00 H new ATOM 0 HA ASN A 143 10.080 1.879 -3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.915 -0.522 -3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.950 0.665 -4.515 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.317 3.305 -2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 143 12.050 3.066 -3.578 1.00 0.00 H new ATOM 286 N LEU A 144 8.074 -0.045 -3.544 1.00 0.00 N ATOM 287 CA LEU A 144 7.089 -0.939 -4.141 1.00 0.00 C ATOM 288 C LEU A 144 6.193 -0.190 -5.120 1.00 0.00 C ATOM 289 O LEU A 144 6.334 1.018 -5.310 1.00 0.00 O ATOM 290 CB LEU A 144 6.235 -1.591 -3.053 1.00 0.00 C ATOM 291 CG LEU A 144 7.003 -2.039 -1.812 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.043 -2.356 -0.676 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.872 -3.247 -2.130 1.00 0.00 C ATOM 0 H LEU A 144 7.690 0.617 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 144 7.627 -1.714 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.461 -0.886 -2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.728 -2.456 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 144 7.652 -1.222 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.608 -2.674 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.463 -1.466 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.369 -3.156 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.412 -3.553 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.242 -4.068 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.585 -2.987 -2.912 1.00 0.00 H new ATOM 305 N ASP A 145 5.272 -0.919 -5.738 1.00 0.00 N ATOM 306 CA ASP A 145 4.346 -0.332 -6.698 1.00 0.00 C ATOM 307 C ASP A 145 2.901 -0.624 -6.307 1.00 0.00 C ATOM 308 O ASP A 145 2.503 -1.782 -6.187 1.00 0.00 O ATOM 309 CB ASP A 145 4.625 -0.871 -8.103 1.00 0.00 C ATOM 310 CG ASP A 145 4.364 0.162 -9.181 1.00 0.00 C ATOM 311 OD1 ASP A 145 4.690 1.347 -8.960 1.00 0.00 O ATOM 312 OD2 ASP A 145 3.834 -0.215 -10.248 1.00 0.00 O ATOM 0 H ASP A 145 5.146 -1.920 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 145 4.494 0.748 -6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.662 -1.201 -8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.001 -1.746 -8.284 1.00 0.00 H new ATOM 317 N ALA A 146 2.119 0.434 -6.111 1.00 0.00 N ATOM 318 CA ALA A 146 0.718 0.290 -5.733 1.00 0.00 C ATOM 319 C ALA A 146 -0.027 -0.615 -6.709 1.00 0.00 C ATOM 320 O ALA A 146 -0.803 -1.480 -6.302 1.00 0.00 O ATOM 321 CB ALA A 146 0.048 1.654 -5.661 1.00 0.00 C ATOM 0 H ALA A 146 2.432 1.400 -6.208 1.00 0.00 H new ATOM 0 HA ALA A 146 0.681 -0.175 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.997 1.531 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.555 2.270 -4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.105 2.139 -6.635 1.00 0.00 H new ATOM 327 N SER A 147 0.216 -0.411 -8.000 1.00 0.00 N ATOM 328 CA SER A 147 -0.431 -1.209 -9.036 1.00 0.00 C ATOM 329 C SER A 147 -0.128 -2.695 -8.857 1.00 0.00 C ATOM 330 O SER A 147 -0.864 -3.549 -9.351 1.00 0.00 O ATOM 331 CB SER A 147 0.027 -0.748 -10.422 1.00 0.00 C ATOM 332 OG SER A 147 1.437 -0.826 -10.545 1.00 0.00 O ATOM 0 H SER A 147 0.856 0.300 -8.354 1.00 0.00 H new ATOM 0 HA SER A 147 -1.508 -1.066 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.443 -1.365 -11.188 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.300 0.277 -10.594 1.00 0.00 H new ATOM 0 HG SER A 147 1.850 -0.090 -10.046 1.00 0.00 H new ATOM 338 N ALA A 148 0.956 -2.998 -8.148 1.00 0.00 N ATOM 339 CA ALA A 148 1.348 -4.381 -7.907 1.00 0.00 C ATOM 340 C ALA A 148 0.697 -4.926 -6.640 1.00 0.00 C ATOM 341 O ALA A 148 0.521 -6.135 -6.492 1.00 0.00 O ATOM 342 CB ALA A 148 2.863 -4.490 -7.811 1.00 0.00 C ATOM 0 H ALA A 148 1.577 -2.304 -7.731 1.00 0.00 H new ATOM 0 HA ALA A 148 1.002 -4.981 -8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.142 -5.528 -7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.312 -4.150 -8.744 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.221 -3.870 -6.989 1.00 0.00 H new ATOM 348 N ILE A 149 0.340 -4.027 -5.728 1.00 0.00 N ATOM 349 CA ILE A 149 -0.290 -4.420 -4.473 1.00 0.00 C ATOM 350 C ILE A 149 -1.797 -4.184 -4.521 1.00 0.00 C ATOM 351 O ILE A 149 -2.293 -3.462 -5.385 1.00 0.00 O ATOM 352 CB ILE A 149 0.304 -3.649 -3.277 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.817 -3.485 -3.441 1.00 0.00 C ATOM 354 CG2 ILE A 149 -0.017 -4.363 -1.972 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.464 -2.694 -2.326 1.00 0.00 C ATOM 0 H ILE A 149 0.476 -3.022 -5.835 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.094 -5.484 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.147 -2.657 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.278 -4.472 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.020 -2.991 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.409 -3.806 -1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.098 -4.429 -1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.407 -5.367 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.536 -2.618 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.030 -1.695 -2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.293 -3.198 -1.375 1.00 0.00 H new ATOM 367 N LYS A 150 -2.519 -4.797 -3.588 1.00 0.00 N ATOM 368 CA LYS A 150 -3.968 -4.652 -3.528 1.00 0.00 C ATOM 369 C LYS A 150 -4.375 -3.716 -2.394 1.00 0.00 C ATOM 370 O LYS A 150 -3.597 -3.471 -1.471 1.00 0.00 O ATOM 371 CB LYS A 150 -4.632 -6.019 -3.343 1.00 0.00 C ATOM 372 CG LYS A 150 -5.165 -6.615 -4.636 1.00 0.00 C ATOM 373 CD LYS A 150 -5.249 -8.131 -4.557 1.00 0.00 C ATOM 374 CE LYS A 150 -6.107 -8.699 -5.677 1.00 0.00 C ATOM 375 NZ LYS A 150 -6.023 -10.185 -5.741 1.00 0.00 N ATOM 0 H LYS A 150 -2.124 -5.398 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.304 -4.218 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.910 -6.708 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.452 -5.922 -2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -6.153 -6.205 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.517 -6.328 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -4.247 -8.556 -4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -5.666 -8.424 -3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -7.144 -8.400 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.788 -8.276 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -6.621 -10.533 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -5.037 -10.470 -5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -6.352 -10.590 -4.841 1.00 0.00 H new ATOM 389 N GLY A 151 -5.595 -3.198 -2.470 1.00 0.00 N ATOM 390 CA GLY A 151 -6.082 -2.294 -1.445 1.00 0.00 C ATOM 391 C GLY A 151 -7.294 -2.840 -0.714 1.00 0.00 C ATOM 392 O GLY A 151 -8.317 -3.134 -1.332 1.00 0.00 O ATOM 0 H GLY A 151 -6.256 -3.388 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.285 -2.102 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.338 -1.337 -1.901 1.00 0.00 H new ATOM 396 N THR A 152 -7.178 -2.974 0.603 1.00 0.00 N ATOM 397 CA THR A 152 -8.275 -3.485 1.418 1.00 0.00 C ATOM 398 C THR A 152 -8.984 -2.348 2.145 1.00 0.00 C ATOM 399 O THR A 152 -9.566 -2.546 3.212 1.00 0.00 O ATOM 400 CB THR A 152 -7.752 -4.507 2.430 1.00 0.00 C ATOM 401 OG1 THR A 152 -6.703 -3.955 3.205 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.232 -5.774 1.785 1.00 0.00 C ATOM 0 H THR A 152 -6.337 -2.736 1.129 1.00 0.00 H new ATOM 0 HA THR A 152 -8.991 -3.973 0.757 1.00 0.00 H new ATOM 0 HB THR A 152 -8.609 -4.762 3.053 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.603 -3.004 2.990 1.00 0.00 H new ATOM 0 HG21 THR A 152 -6.876 -6.456 2.557 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.034 -6.251 1.221 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.411 -5.529 1.111 1.00 0.00 H new ATOM 410 N GLY A 153 -8.932 -1.155 1.561 1.00 0.00 N ATOM 411 CA GLY A 153 -9.573 -0.002 2.165 1.00 0.00 C ATOM 412 C GLY A 153 -11.059 0.055 1.875 1.00 0.00 C ATOM 413 O GLY A 153 -11.640 -0.913 1.384 1.00 0.00 O ATOM 0 H GLY A 153 -8.456 -0.966 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.417 -0.028 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.099 0.908 1.796 1.00 0.00 H new ATOM 417 N VAL A 154 -11.675 1.194 2.174 1.00 0.00 N ATOM 418 CA VAL A 154 -13.102 1.375 1.936 1.00 0.00 C ATOM 419 C VAL A 154 -13.401 1.418 0.442 1.00 0.00 C ATOM 420 O VAL A 154 -13.641 2.484 -0.124 1.00 0.00 O ATOM 421 CB VAL A 154 -13.624 2.667 2.593 1.00 0.00 C ATOM 422 CG1 VAL A 154 -15.139 2.739 2.498 1.00 0.00 C ATOM 423 CG2 VAL A 154 -13.168 2.750 4.043 1.00 0.00 C ATOM 0 H VAL A 154 -11.209 2.005 2.581 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.612 0.522 2.384 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.209 3.520 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.490 3.658 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.439 2.729 1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.577 1.881 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -13.546 3.669 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.552 1.892 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -12.079 2.748 4.083 1.00 0.00 H new ATOM 433 N GLY A 155 -13.378 0.251 -0.192 1.00 0.00 N ATOM 434 CA GLY A 155 -13.642 0.173 -1.617 1.00 0.00 C ATOM 435 C GLY A 155 -12.465 -0.385 -2.393 1.00 0.00 C ATOM 436 O GLY A 155 -12.642 -0.990 -3.451 1.00 0.00 O ATOM 0 H GLY A 155 -13.181 -0.644 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.517 -0.454 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.884 1.167 -1.994 1.00 0.00 H new ATOM 440 N GLY A 156 -11.262 -0.185 -1.865 1.00 0.00 N ATOM 441 CA GLY A 156 -10.071 -0.683 -2.528 1.00 0.00 C ATOM 442 C GLY A 156 -8.903 0.282 -2.440 1.00 0.00 C ATOM 443 O GLY A 156 -8.312 0.644 -3.458 1.00 0.00 O ATOM 0 H GLY A 156 -11.091 0.312 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.784 -1.636 -2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.298 -0.877 -3.576 1.00 0.00 H new ATOM 447 N ARG A 157 -8.569 0.700 -1.223 1.00 0.00 N ATOM 448 CA ARG A 157 -7.463 1.628 -1.012 1.00 0.00 C ATOM 449 C ARG A 157 -6.276 0.921 -0.357 1.00 0.00 C ATOM 450 O ARG A 157 -6.454 0.062 0.508 1.00 0.00 O ATOM 451 CB ARG A 157 -7.935 2.831 -0.173 1.00 0.00 C ATOM 452 CG ARG A 157 -7.622 2.751 1.319 1.00 0.00 C ATOM 453 CD ARG A 157 -6.482 3.682 1.705 1.00 0.00 C ATOM 454 NE ARG A 157 -6.877 4.627 2.747 1.00 0.00 N ATOM 455 CZ ARG A 157 -7.701 5.653 2.544 1.00 0.00 C ATOM 456 NH1 ARG A 157 -8.218 5.871 1.341 1.00 0.00 N ATOM 457 NH2 ARG A 157 -8.010 6.464 3.547 1.00 0.00 N ATOM 0 H ARG A 157 -9.047 0.412 -0.369 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.126 1.999 -1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.477 3.735 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -9.013 2.938 -0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -8.513 3.009 1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -7.360 1.726 1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -5.634 3.092 2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.148 4.231 0.825 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.499 4.493 3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -7.985 5.251 0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -8.849 6.659 1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.616 6.302 4.474 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.641 7.250 3.391 1.00 0.00 H new ATOM 471 N LEU A 158 -5.068 1.283 -0.778 1.00 0.00 N ATOM 472 CA LEU A 158 -3.857 0.678 -0.231 1.00 0.00 C ATOM 473 C LEU A 158 -3.717 1.000 1.252 1.00 0.00 C ATOM 474 O LEU A 158 -3.732 2.165 1.647 1.00 0.00 O ATOM 475 CB LEU A 158 -2.624 1.170 -0.992 1.00 0.00 C ATOM 476 CG LEU A 158 -1.522 0.126 -1.198 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.829 -0.192 0.119 1.00 0.00 C ATOM 478 CD2 LEU A 158 -2.090 -1.140 -1.824 1.00 0.00 C ATOM 0 H LEU A 158 -4.901 1.990 -1.494 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.935 -0.403 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.942 1.536 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.201 2.019 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.782 0.543 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.050 -0.935 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.382 0.716 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.558 -0.585 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.291 -1.868 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.854 -1.559 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.533 -0.901 -2.791 1.00 0.00 H new ATOM 490 N THR A 159 -3.582 -0.039 2.069 1.00 0.00 N ATOM 491 CA THR A 159 -3.442 0.138 3.511 1.00 0.00 C ATOM 492 C THR A 159 -2.129 -0.455 4.012 1.00 0.00 C ATOM 493 O THR A 159 -1.521 -1.300 3.350 1.00 0.00 O ATOM 494 CB THR A 159 -4.618 -0.512 4.242 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.076 -1.654 3.541 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.798 0.418 4.424 1.00 0.00 C ATOM 0 H THR A 159 -3.566 -1.011 1.759 1.00 0.00 H new ATOM 0 HA THR A 159 -3.438 1.208 3.719 1.00 0.00 H new ATOM 0 HB THR A 159 -4.232 -0.781 5.225 1.00 0.00 H new ATOM 0 HG1 THR A 159 -5.206 -1.428 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.597 -0.106 4.949 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.490 1.287 5.006 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.158 0.744 3.448 1.00 0.00 H new ATOM 504 N ARG A 160 -1.702 -0.015 5.192 1.00 0.00 N ATOM 505 CA ARG A 160 -0.465 -0.506 5.788 1.00 0.00 C ATOM 506 C ARG A 160 -0.499 -2.024 5.906 1.00 0.00 C ATOM 507 O ARG A 160 0.532 -2.691 5.815 1.00 0.00 O ATOM 508 CB ARG A 160 -0.251 0.121 7.168 1.00 0.00 C ATOM 509 CG ARG A 160 1.212 0.230 7.566 1.00 0.00 C ATOM 510 CD ARG A 160 1.603 1.666 7.877 1.00 0.00 C ATOM 511 NE ARG A 160 3.011 1.781 8.252 1.00 0.00 N ATOM 512 CZ ARG A 160 3.508 1.352 9.409 1.00 0.00 C ATOM 513 NH1 ARG A 160 2.717 0.778 10.306 1.00 0.00 N ATOM 514 NH2 ARG A 160 4.800 1.497 9.669 1.00 0.00 N ATOM 0 H ARG A 160 -2.194 0.680 5.753 1.00 0.00 H new ATOM 0 HA ARG A 160 0.365 -0.222 5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.697 1.115 7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.779 -0.474 7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.400 -0.396 8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.838 -0.152 6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 160 1.407 2.292 7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 160 0.980 2.044 8.688 1.00 0.00 H new ATOM 0 HE ARG A 160 3.651 2.216 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 160 1.723 0.664 10.110 1.00 0.00 H new ATOM 0 HH12 ARG A 160 3.103 0.451 11.192 1.00 0.00 H new ATOM 0 HH21 ARG A 160 5.412 1.937 8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 160 5.182 1.168 10.556 1.00 0.00 H new ATOM 528 N GLU A 161 -1.699 -2.565 6.091 1.00 0.00 N ATOM 529 CA GLU A 161 -1.877 -4.005 6.201 1.00 0.00 C ATOM 530 C GLU A 161 -1.599 -4.670 4.859 1.00 0.00 C ATOM 531 O GLU A 161 -1.032 -5.761 4.796 1.00 0.00 O ATOM 532 CB GLU A 161 -3.295 -4.335 6.668 1.00 0.00 C ATOM 533 CG GLU A 161 -3.587 -3.881 8.089 1.00 0.00 C ATOM 534 CD GLU A 161 -4.408 -4.891 8.866 1.00 0.00 C ATOM 535 OE1 GLU A 161 -5.612 -5.033 8.568 1.00 0.00 O ATOM 536 OE2 GLU A 161 -3.845 -5.541 9.774 1.00 0.00 O ATOM 0 H GLU A 161 -2.562 -2.026 6.168 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.172 -4.387 6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.010 -3.867 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.450 -5.412 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.646 -3.704 8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.119 -2.930 8.061 1.00 0.00 H new ATOM 543 N ASP A 162 -2.000 -3.996 3.784 1.00 0.00 N ATOM 544 CA ASP A 162 -1.793 -4.510 2.436 1.00 0.00 C ATOM 545 C ASP A 162 -0.305 -4.586 2.117 1.00 0.00 C ATOM 546 O ASP A 162 0.186 -5.609 1.639 1.00 0.00 O ATOM 547 CB ASP A 162 -2.501 -3.618 1.414 1.00 0.00 C ATOM 548 CG ASP A 162 -4.010 -3.728 1.498 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.512 -4.848 1.727 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.689 -2.693 1.335 1.00 0.00 O ATOM 0 H ASP A 162 -2.470 -3.092 3.822 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.214 -5.514 2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.206 -2.581 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.175 -3.891 0.410 1.00 0.00 H new ATOM 555 N VAL A 163 0.409 -3.498 2.388 1.00 0.00 N ATOM 556 CA VAL A 163 1.843 -3.446 2.133 1.00 0.00 C ATOM 557 C VAL A 163 2.585 -4.475 2.979 1.00 0.00 C ATOM 558 O VAL A 163 3.544 -5.096 2.521 1.00 0.00 O ATOM 559 CB VAL A 163 2.418 -2.045 2.422 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.904 -1.994 2.096 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.659 -0.985 1.639 1.00 0.00 C ATOM 0 H VAL A 163 0.018 -2.643 2.783 1.00 0.00 H new ATOM 0 HA VAL A 163 1.986 -3.674 1.077 1.00 0.00 H new ATOM 0 HB VAL A 163 2.297 -1.838 3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.289 -0.996 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.436 -2.725 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.053 -2.224 1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.079 -0.003 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.745 -1.189 0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.608 -1.002 1.928 1.00 0.00 H new ATOM 571 N GLU A 164 2.135 -4.651 4.218 1.00 0.00 N ATOM 572 CA GLU A 164 2.757 -5.606 5.128 1.00 0.00 C ATOM 573 C GLU A 164 2.629 -7.028 4.591 1.00 0.00 C ATOM 574 O GLU A 164 3.607 -7.774 4.545 1.00 0.00 O ATOM 575 CB GLU A 164 2.118 -5.513 6.514 1.00 0.00 C ATOM 576 CG GLU A 164 2.699 -4.406 7.378 1.00 0.00 C ATOM 577 CD GLU A 164 2.812 -4.805 8.837 1.00 0.00 C ATOM 578 OE1 GLU A 164 2.972 -6.011 9.113 1.00 0.00 O ATOM 579 OE2 GLU A 164 2.739 -3.908 9.704 1.00 0.00 O ATOM 0 H GLU A 164 1.343 -4.145 4.614 1.00 0.00 H new ATOM 0 HA GLU A 164 3.816 -5.359 5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 164 1.046 -5.350 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.243 -6.467 7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.686 -4.136 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 164 2.072 -3.518 7.295 1.00 0.00 H new ATOM 586 N LYS A 165 1.419 -7.395 4.182 1.00 0.00 N ATOM 587 CA LYS A 165 1.166 -8.726 3.644 1.00 0.00 C ATOM 588 C LYS A 165 1.955 -8.946 2.357 1.00 0.00 C ATOM 589 O LYS A 165 2.424 -10.050 2.085 1.00 0.00 O ATOM 590 CB LYS A 165 -0.328 -8.918 3.378 1.00 0.00 C ATOM 591 CG LYS A 165 -1.173 -8.939 4.641 1.00 0.00 C ATOM 592 CD LYS A 165 -2.520 -8.264 4.426 1.00 0.00 C ATOM 593 CE LYS A 165 -3.672 -9.185 4.798 1.00 0.00 C ATOM 594 NZ LYS A 165 -3.693 -10.416 3.960 1.00 0.00 N ATOM 0 H LYS A 165 0.599 -6.789 4.213 1.00 0.00 H new ATOM 0 HA LYS A 165 1.492 -9.459 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.679 -8.116 2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.475 -9.853 2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.329 -9.970 4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -0.638 -8.436 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.572 -7.355 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.615 -7.964 3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.590 -9.463 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -4.615 -8.651 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -4.664 -10.786 3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -3.360 -10.189 3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -3.070 -11.134 4.382 1.00 0.00 H new ATOM 608 N TRP A 166 2.097 -7.884 1.571 1.00 0.00 N ATOM 609 CA TRP A 166 2.830 -7.956 0.313 1.00 0.00 C ATOM 610 C TRP A 166 4.329 -8.079 0.566 1.00 0.00 C ATOM 611 O TRP A 166 5.014 -8.872 -0.080 1.00 0.00 O ATOM 612 CB TRP A 166 2.545 -6.715 -0.537 1.00 0.00 C ATOM 613 CG TRP A 166 3.035 -6.835 -1.947 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.216 -6.369 -2.447 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.354 -7.462 -3.040 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.311 -6.668 -3.785 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.182 -7.340 -4.172 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.126 -8.116 -3.171 1.00 0.00 C ATOM 619 CZ2 TRP A 166 2.820 -7.846 -5.418 1.00 0.00 C ATOM 620 CZ3 TRP A 166 0.768 -8.618 -4.408 1.00 0.00 C ATOM 621 CH2 TRP A 166 1.612 -8.481 -5.516 1.00 0.00 C ATOM 0 H TRP A 166 1.714 -6.963 1.783 1.00 0.00 H new ATOM 0 HA TRP A 166 2.496 -8.843 -0.226 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.471 -6.530 -0.548 1.00 0.00 H new ATOM 0 HB3 TRP A 166 3.013 -5.848 -0.070 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.966 -5.843 -1.875 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.095 -6.428 -4.392 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.469 -8.227 -2.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 3.469 -7.741 -6.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.179 -9.125 -4.521 1.00 0.00 H new ATOM 0 HH2 TRP A 166 1.303 -8.885 -6.469 1.00 0.00 H new ATOM 632 N LEU A 167 4.831 -7.289 1.509 1.00 0.00 N ATOM 633 CA LEU A 167 6.248 -7.310 1.848 1.00 0.00 C ATOM 634 C LEU A 167 6.675 -8.693 2.324 1.00 0.00 C ATOM 635 O LEU A 167 7.764 -9.166 2.000 1.00 0.00 O ATOM 636 CB LEU A 167 6.550 -6.269 2.928 1.00 0.00 C ATOM 637 CG LEU A 167 6.592 -4.821 2.438 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.369 -3.859 3.594 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.915 -4.531 1.747 1.00 0.00 C ATOM 0 H LEU A 167 4.277 -6.626 2.052 1.00 0.00 H new ATOM 0 HA LEU A 167 6.814 -7.066 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.795 -6.350 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.510 -6.510 3.385 1.00 0.00 H new ATOM 0 HG LEU A 167 5.789 -4.679 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.402 -2.834 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.395 -4.051 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.149 -4.002 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.928 -3.496 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.734 -4.691 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.033 -5.197 0.892 1.00 0.00 H new ATOM 651 N ALA A 168 5.808 -9.337 3.096 1.00 0.00 N ATOM 652 CA ALA A 168 6.091 -10.668 3.619 1.00 0.00 C ATOM 653 C ALA A 168 6.188 -11.690 2.492 1.00 0.00 C ATOM 654 O ALA A 168 6.936 -12.664 2.586 1.00 0.00 O ATOM 655 CB ALA A 168 5.019 -11.081 4.616 1.00 0.00 C ATOM 0 H ALA A 168 4.902 -8.959 3.374 1.00 0.00 H new ATOM 0 HA ALA A 168 7.054 -10.635 4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.242 -12.077 4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.998 -10.371 5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 168 4.047 -11.092 4.122 1.00 0.00 H new ATOM 661 N LYS A 169 5.430 -11.459 1.425 1.00 0.00 N ATOM 662 CA LYS A 169 5.431 -12.359 0.277 1.00 0.00 C ATOM 663 C LYS A 169 5.292 -11.576 -1.025 1.00 0.00 C ATOM 664 O LYS A 169 4.206 -11.493 -1.598 1.00 0.00 O ATOM 665 CB LYS A 169 4.297 -13.381 0.402 1.00 0.00 C ATOM 666 CG LYS A 169 4.782 -14.798 0.660 1.00 0.00 C ATOM 667 CD LYS A 169 4.270 -15.334 1.989 1.00 0.00 C ATOM 668 CE LYS A 169 3.046 -16.219 1.801 1.00 0.00 C ATOM 669 NZ LYS A 169 3.257 -17.582 2.360 1.00 0.00 N ATOM 0 H LYS A 169 4.807 -10.657 1.331 1.00 0.00 H new ATOM 0 HA LYS A 169 6.383 -12.889 0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.635 -13.079 1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.706 -13.369 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 169 4.449 -15.450 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 169 5.872 -14.816 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 169 5.059 -15.903 2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 169 4.020 -14.501 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 169 2.186 -15.757 2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 169 2.812 -16.294 0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 2.401 -18.154 2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 4.062 -18.033 1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 3.455 -17.513 3.379 1.00 0.00 H new ATOM 683 N ALA A 170 6.399 -11.002 -1.485 1.00 0.00 N ATOM 684 CA ALA A 170 6.401 -10.225 -2.719 1.00 0.00 C ATOM 685 C ALA A 170 7.027 -11.014 -3.863 1.00 0.00 C ATOM 686 O ALA A 170 8.102 -11.614 -3.648 1.00 0.00 O ATOM 687 CB ALA A 170 7.141 -8.912 -2.513 1.00 0.00 C ATOM 688 OXT ALA A 170 6.438 -11.027 -4.964 1.00 0.00 O ATOM 0 H ALA A 170 7.306 -11.060 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 170 5.367 -10.009 -2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 170 7.135 -8.341 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.648 -8.336 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 170 8.171 -9.117 -2.219 1.00 0.00 H new TER 694 ALA A 170