USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 457 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 26 GLN : amide:sc= -4.83! K(o=-14!,f=-7) USER MOD Set 1.2: A 55 GLN : amide:sc= -9.46! C(o=-14!,f=-7.6!) USER MOD Set 2.1: A 39 SER OG : rot -30:sc= 1.65 USER MOD Set 2.2: A 40 GLN : amide:sc= 0.824 K(o=-0.18,f=-4.6) USER MOD Set 2.3: A 43 ASN : amide:sc= -2.66! C(o=-0.18!,f=-4!) USER MOD Set 3.1: A 32 GLN : amide:sc= 0.792 K(o=-0.33,f=-6.4) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -143:sc= -1.12! (180deg=-4.23!) USER MOD Set 4.1: A 21 ASN : amide:sc= -9.03! C(o=-11!,f=-14!) USER MOD Set 4.2: A 52 ASN : amide:sc= -1.88 K(o=-11,f=-15!) USER MOD Set 5.1: A 1 VAL N :NH3+ -170:sc= 0.778 (180deg=-0.333) USER MOD Set 5.2: A 9 GLN : amide:sc= -3.69! C(o=-4.7!,f=-14!) USER MOD Set 5.3: A 10 GLN : amide:sc= -1.76! K(o=-4.7!,f=-7.5) USER MOD Set 6.1: A 6 ASN : amide:sc= -9.45! C(o=-10!,f=-19!) USER MOD Set 6.2: A 7 LYS NZ :NH3+ 172:sc= 0.28 (180deg=1.03) USER MOD Set 6.3: A 41 SER OG : rot 10:sc= -1.1 USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 4 LYS NZ :NH3+ -155:sc= -1.42! (180deg=-2.72!) USER MOD Single : A 11 ASN : amide:sc= -1.13! K(o=-1.1!,f=-0.17) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-4.3!) USER MOD Single : A 23 ASN : amide:sc= -0.0808 K(o=-0.081,f=-10!) USER MOD Single : A 28 ASN : amide:sc= 0.377 X(o=0.38,f=0) USER MOD Single : A 33 SER OG : rot 140:sc= -0.278 USER MOD Single : A 49 LYS NZ :NH3+ -121:sc= 0.564 (180deg=-0.589!) USER MOD Single : A 50 LYS NZ :NH3+ -134:sc= -0.414 (180deg=-3.36!) USER MOD Single : A 58 LYS NZ :NH3+ 138:sc= 1.74 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.483 -7.857 -9.753 1.00 0.00 N ATOM 2 CA VAL A 1 8.379 -8.800 -9.087 1.00 0.00 C ATOM 3 C VAL A 1 7.766 -10.198 -8.963 1.00 0.00 C ATOM 4 O VAL A 1 6.928 -10.548 -9.789 1.00 0.00 O ATOM 5 CB VAL A 1 8.858 -8.240 -7.717 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.692 -6.957 -7.893 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.707 -7.962 -6.740 1.00 0.00 C ATOM 0 H1 VAL A 1 7.999 -6.979 -9.965 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.134 -8.276 -10.638 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.678 -7.644 -9.130 1.00 0.00 H new ATOM 0 HA VAL A 1 9.260 -8.915 -9.719 1.00 0.00 H new ATOM 0 HB VAL A 1 9.478 -9.026 -7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 1 10.010 -6.593 -6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 1 10.569 -7.174 -8.503 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.088 -6.195 -8.385 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.110 -7.574 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.029 -7.228 -7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.164 -8.887 -6.545 1.00 0.00 H new ATOM 19 N ASP A 2 8.138 -11.023 -7.983 1.00 0.00 N ATOM 20 CA ASP A 2 7.637 -12.382 -7.832 1.00 0.00 C ATOM 21 C ASP A 2 6.236 -12.568 -7.217 1.00 0.00 C ATOM 22 O ASP A 2 5.550 -11.639 -6.779 1.00 0.00 O ATOM 23 CB ASP A 2 8.726 -13.089 -6.993 1.00 0.00 C ATOM 24 CG ASP A 2 8.792 -12.470 -5.606 1.00 0.00 C ATOM 25 OD1 ASP A 2 7.832 -12.614 -4.857 1.00 0.00 O ATOM 26 OD2 ASP A 2 9.785 -11.842 -5.253 1.00 0.00 O ATOM 0 H ASP A 2 8.808 -10.757 -7.261 1.00 0.00 H new ATOM 0 HA ASP A 2 7.472 -12.802 -8.824 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.504 -14.153 -6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.693 -13.000 -7.487 1.00 0.00 H new ATOM 31 N ASN A 3 5.839 -13.844 -7.182 1.00 0.00 N ATOM 32 CA ASN A 3 4.574 -14.302 -6.602 1.00 0.00 C ATOM 33 C ASN A 3 4.792 -14.945 -5.219 1.00 0.00 C ATOM 34 O ASN A 3 3.908 -15.614 -4.687 1.00 0.00 O ATOM 35 CB ASN A 3 3.926 -15.364 -7.543 1.00 0.00 C ATOM 36 CG ASN A 3 3.532 -14.830 -8.909 1.00 0.00 C ATOM 37 OD1 ASN A 3 3.713 -13.672 -9.265 1.00 0.00 O ATOM 38 ND2 ASN A 3 2.965 -15.672 -9.751 1.00 0.00 N ATOM 0 H ASN A 3 6.402 -14.604 -7.565 1.00 0.00 H new ATOM 0 HA ASN A 3 3.923 -13.435 -6.490 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.625 -16.189 -7.676 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.040 -15.772 -7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.686 -15.355 -10.679 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.805 -16.641 -9.474 1.00 0.00 H new ATOM 45 N LYS A 4 5.956 -14.748 -4.596 1.00 0.00 N ATOM 46 CA LYS A 4 6.318 -15.343 -3.306 1.00 0.00 C ATOM 47 C LYS A 4 5.784 -14.617 -2.070 1.00 0.00 C ATOM 48 O LYS A 4 5.875 -15.134 -0.955 1.00 0.00 O ATOM 49 CB LYS A 4 7.872 -15.505 -3.325 1.00 0.00 C ATOM 50 CG LYS A 4 8.594 -15.772 -1.984 1.00 0.00 C ATOM 51 CD LYS A 4 8.900 -14.537 -1.089 1.00 0.00 C ATOM 52 CE LYS A 4 9.763 -13.443 -1.753 1.00 0.00 C ATOM 53 NZ LYS A 4 8.930 -12.562 -2.552 1.00 0.00 N ATOM 0 H LYS A 4 6.691 -14.156 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 4 5.823 -16.308 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.113 -16.324 -4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.296 -14.599 -3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.987 -16.468 -1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.536 -16.275 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.955 -14.092 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.406 -14.879 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.285 -12.867 -0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.526 -13.903 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.505 -12.124 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.160 -13.111 -2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.528 -11.820 -1.945 1.00 0.00 H new ATOM 67 N PHE A 5 5.218 -13.422 -2.212 1.00 0.00 N ATOM 68 CA PHE A 5 4.713 -12.669 -1.064 1.00 0.00 C ATOM 69 C PHE A 5 3.275 -13.031 -0.687 1.00 0.00 C ATOM 70 O PHE A 5 2.941 -14.173 -0.371 1.00 0.00 O ATOM 71 CB PHE A 5 4.899 -11.162 -1.363 1.00 0.00 C ATOM 72 CG PHE A 5 6.348 -10.694 -1.505 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.229 -10.879 -0.421 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.847 -10.081 -2.663 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.572 -10.459 -0.498 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.187 -9.656 -2.753 1.00 0.00 C ATOM 77 CZ PHE A 5 9.060 -9.842 -1.667 1.00 0.00 C ATOM 0 H PHE A 5 5.097 -12.953 -3.110 1.00 0.00 H new ATOM 0 HA PHE A 5 5.288 -12.938 -0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.366 -10.923 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.427 -10.590 -0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.870 -11.350 0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.189 -9.931 -3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.231 -10.611 0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.544 -9.187 -3.658 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.088 -9.517 -1.728 1.00 0.00 H new ATOM 87 N ASN A 6 2.422 -12.012 -0.685 1.00 0.00 N ATOM 88 CA ASN A 6 1.007 -12.173 -0.397 1.00 0.00 C ATOM 89 C ASN A 6 0.201 -12.612 -1.623 1.00 0.00 C ATOM 90 O ASN A 6 0.721 -12.957 -2.685 1.00 0.00 O ATOM 91 CB ASN A 6 0.505 -10.825 0.166 1.00 0.00 C ATOM 92 CG ASN A 6 -0.342 -11.006 1.410 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.437 -11.553 1.398 1.00 0.00 O ATOM 94 ND2 ASN A 6 0.158 -10.501 2.521 1.00 0.00 N ATOM 0 H ASN A 6 2.696 -11.050 -0.884 1.00 0.00 H new ATOM 0 HA ASN A 6 0.866 -12.972 0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.359 -10.189 0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.078 -10.309 -0.597 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.370 -10.562 3.392 1.00 0.00 H new ATOM 0 HD22 ASN A 6 1.072 -10.049 2.510 1.00 0.00 H new ATOM 101 N LYS A 7 -1.117 -12.579 -1.468 1.00 0.00 N ATOM 102 CA LYS A 7 -2.054 -13.002 -2.506 1.00 0.00 C ATOM 103 C LYS A 7 -2.229 -11.935 -3.592 1.00 0.00 C ATOM 104 O LYS A 7 -1.891 -12.086 -4.764 1.00 0.00 O ATOM 105 CB LYS A 7 -3.392 -13.329 -1.818 1.00 0.00 C ATOM 106 CG LYS A 7 -3.226 -14.215 -0.556 1.00 0.00 C ATOM 107 CD LYS A 7 -4.492 -14.268 0.323 1.00 0.00 C ATOM 108 CE LYS A 7 -5.052 -12.883 0.694 1.00 0.00 C ATOM 109 NZ LYS A 7 -3.997 -12.000 1.164 1.00 0.00 N ATOM 0 H LYS A 7 -1.571 -12.256 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.665 -13.883 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.887 -12.399 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.044 -13.837 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.963 -15.227 -0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.395 -13.836 0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.263 -14.832 -0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.264 -14.814 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.541 -12.441 -0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.812 -12.990 1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.375 -11.038 1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.640 -12.342 2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.221 -11.987 0.472 1.00 0.00 H new ATOM 123 N GLU A 8 -2.751 -10.801 -3.139 1.00 0.00 N ATOM 124 CA GLU A 8 -3.077 -9.598 -3.874 1.00 0.00 C ATOM 125 C GLU A 8 -1.865 -8.687 -3.875 1.00 0.00 C ATOM 126 O GLU A 8 -1.940 -7.462 -3.905 1.00 0.00 O ATOM 127 CB GLU A 8 -4.269 -8.927 -3.154 1.00 0.00 C ATOM 128 CG GLU A 8 -3.929 -8.364 -1.728 1.00 0.00 C ATOM 129 CD GLU A 8 -3.873 -9.396 -0.610 1.00 0.00 C ATOM 130 OE1 GLU A 8 -2.879 -10.085 -0.420 1.00 0.00 O ATOM 131 OE2 GLU A 8 -4.831 -9.499 0.144 1.00 0.00 O ATOM 0 H GLU A 8 -2.976 -10.698 -2.150 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.346 -9.814 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.641 -8.112 -3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.078 -9.652 -3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.966 -7.856 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.673 -7.612 -1.467 1.00 0.00 H new ATOM 138 N GLN A 9 -0.722 -9.357 -3.908 1.00 0.00 N ATOM 139 CA GLN A 9 0.576 -8.770 -3.856 1.00 0.00 C ATOM 140 C GLN A 9 0.819 -7.554 -4.719 1.00 0.00 C ATOM 141 O GLN A 9 0.777 -6.398 -4.306 1.00 0.00 O ATOM 142 CB GLN A 9 1.415 -10.021 -4.033 1.00 0.00 C ATOM 143 CG GLN A 9 2.674 -10.146 -4.768 1.00 0.00 C ATOM 144 CD GLN A 9 3.702 -9.050 -4.654 1.00 0.00 C ATOM 145 OE1 GLN A 9 3.506 -7.974 -4.111 1.00 0.00 O ATOM 146 NE2 GLN A 9 4.851 -9.316 -5.234 1.00 0.00 N ATOM 0 H GLN A 9 -0.692 -10.374 -3.975 1.00 0.00 H new ATOM 0 HA GLN A 9 0.823 -8.227 -2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.636 -10.365 -3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.746 -10.756 -4.481 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.148 -11.075 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.428 -10.257 -5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.998 -10.220 -5.683 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.595 -8.619 -5.235 1.00 0.00 H new ATOM 155 N GLN A 10 1.067 -7.890 -5.962 1.00 0.00 N ATOM 156 CA GLN A 10 1.345 -6.897 -6.975 1.00 0.00 C ATOM 157 C GLN A 10 0.142 -6.000 -7.252 1.00 0.00 C ATOM 158 O GLN A 10 0.335 -4.862 -7.670 1.00 0.00 O ATOM 159 CB GLN A 10 1.919 -7.581 -8.239 1.00 0.00 C ATOM 160 CG GLN A 10 3.319 -8.213 -7.973 1.00 0.00 C ATOM 161 CD GLN A 10 4.379 -7.185 -7.701 1.00 0.00 C ATOM 162 OE1 GLN A 10 5.151 -6.783 -8.561 1.00 0.00 O ATOM 163 NE2 GLN A 10 4.469 -6.741 -6.472 1.00 0.00 N ATOM 0 H GLN A 10 1.082 -8.852 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 10 2.111 -6.217 -6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.230 -8.355 -8.578 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.998 -6.850 -9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.251 -8.892 -7.123 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.612 -8.811 -8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.823 -7.079 -5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.185 -6.057 -6.228 1.00 0.00 H new ATOM 172 N ASN A 11 -1.101 -6.438 -7.018 1.00 0.00 N ATOM 173 CA ASN A 11 -2.242 -5.540 -7.241 1.00 0.00 C ATOM 174 C ASN A 11 -2.161 -4.422 -6.198 1.00 0.00 C ATOM 175 O ASN A 11 -2.255 -3.225 -6.494 1.00 0.00 O ATOM 176 CB ASN A 11 -3.597 -6.294 -7.152 1.00 0.00 C ATOM 177 CG ASN A 11 -4.765 -5.450 -7.654 1.00 0.00 C ATOM 178 OD1 ASN A 11 -5.730 -5.968 -8.196 1.00 0.00 O ATOM 179 ND2 ASN A 11 -4.783 -4.136 -7.555 1.00 0.00 N ATOM 0 H ASN A 11 -1.339 -7.373 -6.687 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.194 -5.125 -8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.538 -7.212 -7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.781 -6.585 -6.118 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.575 -3.608 -7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.005 -3.647 -7.112 1.00 0.00 H new ATOM 186 N ALA A 12 -1.992 -4.847 -4.939 1.00 0.00 N ATOM 187 CA ALA A 12 -1.836 -3.928 -3.826 1.00 0.00 C ATOM 188 C ALA A 12 -0.639 -3.018 -4.064 1.00 0.00 C ATOM 189 O ALA A 12 -0.710 -1.809 -3.882 1.00 0.00 O ATOM 190 CB ALA A 12 -1.675 -4.765 -2.545 1.00 0.00 C ATOM 0 H ALA A 12 -1.961 -5.832 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.709 -3.283 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.555 -4.101 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.560 -5.385 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.796 -5.403 -2.635 1.00 0.00 H new ATOM 196 N PHE A 13 0.479 -3.608 -4.495 1.00 0.00 N ATOM 197 CA PHE A 13 1.697 -2.885 -4.822 1.00 0.00 C ATOM 198 C PHE A 13 1.424 -1.764 -5.819 1.00 0.00 C ATOM 199 O PHE A 13 1.801 -0.606 -5.661 1.00 0.00 O ATOM 200 CB PHE A 13 2.676 -3.923 -5.397 1.00 0.00 C ATOM 201 CG PHE A 13 4.111 -3.477 -5.609 1.00 0.00 C ATOM 202 CD1 PHE A 13 4.560 -2.775 -6.749 1.00 0.00 C ATOM 203 CD2 PHE A 13 5.025 -3.799 -4.590 1.00 0.00 C ATOM 204 CE1 PHE A 13 5.915 -2.404 -6.852 1.00 0.00 C ATOM 205 CE2 PHE A 13 6.374 -3.430 -4.692 1.00 0.00 C ATOM 206 CZ PHE A 13 6.820 -2.731 -5.825 1.00 0.00 C ATOM 0 H PHE A 13 0.558 -4.616 -4.626 1.00 0.00 H new ATOM 0 HA PHE A 13 2.116 -2.404 -3.938 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.685 -4.785 -4.730 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.283 -4.265 -6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.867 -2.524 -7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.684 -4.337 -3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.261 -1.866 -7.723 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.067 -3.682 -3.903 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.858 -2.444 -5.908 1.00 0.00 H new ATOM 216 N TYR A 14 0.754 -2.158 -6.890 1.00 0.00 N ATOM 217 CA TYR A 14 0.343 -1.241 -7.941 1.00 0.00 C ATOM 218 C TYR A 14 -0.462 -0.072 -7.403 1.00 0.00 C ATOM 219 O TYR A 14 -0.105 1.092 -7.596 1.00 0.00 O ATOM 220 CB TYR A 14 -0.483 -2.028 -9.006 1.00 0.00 C ATOM 221 CG TYR A 14 0.173 -3.017 -9.988 1.00 0.00 C ATOM 222 CD1 TYR A 14 1.483 -3.541 -9.885 1.00 0.00 C ATOM 223 CD2 TYR A 14 -0.624 -3.416 -11.086 1.00 0.00 C ATOM 224 CE1 TYR A 14 1.973 -4.443 -10.865 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.146 -4.311 -12.064 1.00 0.00 C ATOM 226 CZ TYR A 14 1.160 -4.832 -11.961 1.00 0.00 C ATOM 227 OH TYR A 14 1.615 -5.697 -12.914 1.00 0.00 O ATOM 0 H TYR A 14 0.479 -3.126 -7.055 1.00 0.00 H new ATOM 0 HA TYR A 14 1.239 -0.820 -8.397 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.245 -2.586 -8.462 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.003 -1.285 -9.611 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.113 -3.253 -9.057 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.626 -3.024 -11.177 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.975 -4.837 -10.776 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.779 -4.597 -12.891 1.00 0.00 H new ATOM 0 HH TYR A 14 0.915 -5.844 -13.584 1.00 0.00 H new ATOM 237 N GLU A 15 -1.550 -0.364 -6.690 1.00 0.00 N ATOM 238 CA GLU A 15 -2.365 0.708 -6.141 1.00 0.00 C ATOM 239 C GLU A 15 -1.569 1.563 -5.152 1.00 0.00 C ATOM 240 O GLU A 15 -1.750 2.773 -5.054 1.00 0.00 O ATOM 241 CB GLU A 15 -3.663 0.134 -5.553 1.00 0.00 C ATOM 242 CG GLU A 15 -4.587 1.243 -4.964 1.00 0.00 C ATOM 243 CD GLU A 15 -4.898 2.373 -5.942 1.00 0.00 C ATOM 244 OE1 GLU A 15 -5.233 2.107 -7.089 1.00 0.00 O ATOM 245 OE2 GLU A 15 -4.807 3.542 -5.572 1.00 0.00 O ATOM 0 H GLU A 15 -1.877 -1.308 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.655 1.387 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.201 -0.410 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.418 -0.585 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.523 0.788 -4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.113 1.664 -4.077 1.00 0.00 H new ATOM 252 N ILE A 16 -0.635 0.958 -4.413 1.00 0.00 N ATOM 253 CA ILE A 16 0.228 1.655 -3.464 1.00 0.00 C ATOM 254 C ILE A 16 1.043 2.697 -4.230 1.00 0.00 C ATOM 255 O ILE A 16 1.061 3.889 -3.912 1.00 0.00 O ATOM 256 CB ILE A 16 1.092 0.558 -2.756 1.00 0.00 C ATOM 257 CG1 ILE A 16 0.287 -0.076 -1.597 1.00 0.00 C ATOM 258 CG2 ILE A 16 2.464 1.057 -2.241 1.00 0.00 C ATOM 259 CD1 ILE A 16 0.944 -1.381 -1.086 1.00 0.00 C ATOM 0 H ILE A 16 -0.457 -0.045 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.316 2.202 -2.694 1.00 0.00 H new ATOM 0 HB ILE A 16 1.318 -0.186 -3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.209 0.637 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.728 -0.288 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.996 0.233 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.052 1.433 -3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.312 1.857 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.348 -1.794 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.998 -2.104 -1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.950 -1.165 -0.725 1.00 0.00 H new ATOM 271 N LEU A 17 1.729 2.245 -5.284 1.00 0.00 N ATOM 272 CA LEU A 17 2.502 3.130 -6.143 1.00 0.00 C ATOM 273 C LEU A 17 1.642 4.308 -6.602 1.00 0.00 C ATOM 274 O LEU A 17 1.995 5.477 -6.481 1.00 0.00 O ATOM 275 CB LEU A 17 3.035 2.366 -7.367 1.00 0.00 C ATOM 276 CG LEU A 17 4.194 1.410 -7.050 1.00 0.00 C ATOM 277 CD1 LEU A 17 4.593 0.715 -8.359 1.00 0.00 C ATOM 278 CD2 LEU A 17 5.417 2.133 -6.464 1.00 0.00 C ATOM 0 H LEU A 17 1.761 1.263 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 17 3.348 3.509 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.219 1.796 -7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.366 3.086 -8.116 1.00 0.00 H new ATOM 0 HG LEU A 17 3.859 0.698 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.417 0.027 -8.169 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.740 0.161 -8.751 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.906 1.463 -9.087 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.205 1.408 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.780 2.871 -7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.135 2.633 -5.538 1.00 0.00 H new ATOM 290 N HIS A 18 0.465 3.923 -7.096 1.00 0.00 N ATOM 291 CA HIS A 18 -0.559 4.833 -7.590 1.00 0.00 C ATOM 292 C HIS A 18 -1.096 5.857 -6.585 1.00 0.00 C ATOM 293 O HIS A 18 -1.689 6.841 -7.027 1.00 0.00 O ATOM 294 CB HIS A 18 -1.703 3.922 -8.129 1.00 0.00 C ATOM 295 CG HIS A 18 -2.912 4.692 -8.633 1.00 0.00 C ATOM 296 ND1 HIS A 18 -4.142 4.630 -8.147 1.00 0.00 N ATOM 297 CD2 HIS A 18 -2.884 5.690 -9.574 1.00 0.00 C ATOM 298 CE1 HIS A 18 -4.833 5.567 -8.745 1.00 0.00 C ATOM 299 NE2 HIS A 18 -4.084 6.202 -9.610 1.00 0.00 N ATOM 0 H HIS A 18 0.194 2.942 -7.164 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.111 5.469 -8.353 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.313 3.305 -8.939 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.020 3.244 -7.336 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.035 5.993 -10.169 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.873 5.785 -8.552 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.387 6.968 -10.211 1.00 0.00 H new ATOM 307 N LEU A 19 -0.920 5.741 -5.266 1.00 0.00 N ATOM 308 CA LEU A 19 -1.492 6.711 -4.331 1.00 0.00 C ATOM 309 C LEU A 19 -1.040 8.173 -4.558 1.00 0.00 C ATOM 310 O LEU A 19 0.050 8.578 -4.129 1.00 0.00 O ATOM 311 CB LEU A 19 -1.222 6.205 -2.901 1.00 0.00 C ATOM 312 CG LEU A 19 -1.869 4.876 -2.564 1.00 0.00 C ATOM 313 CD1 LEU A 19 -1.627 4.508 -1.103 1.00 0.00 C ATOM 314 CD2 LEU A 19 -3.379 4.850 -2.812 1.00 0.00 C ATOM 0 H LEU A 19 -0.389 4.990 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.566 6.769 -4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.145 6.115 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.575 6.955 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.401 4.154 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.101 3.551 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.555 4.432 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.052 5.278 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.774 3.869 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.862 5.611 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.578 5.051 -3.865 1.00 0.00 H new ATOM 326 N PRO A 20 -1.868 9.038 -5.166 1.00 0.00 N ATOM 327 CA PRO A 20 -1.506 10.422 -5.472 1.00 0.00 C ATOM 328 C PRO A 20 -1.626 11.379 -4.292 1.00 0.00 C ATOM 329 O PRO A 20 -1.073 12.480 -4.299 1.00 0.00 O ATOM 330 CB PRO A 20 -2.436 10.737 -6.631 1.00 0.00 C ATOM 331 CG PRO A 20 -3.732 10.073 -6.197 1.00 0.00 C ATOM 332 CD PRO A 20 -3.275 8.778 -5.505 1.00 0.00 C ATOM 0 HA PRO A 20 -0.452 10.546 -5.720 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.558 11.811 -6.774 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.066 10.330 -7.572 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.298 10.710 -5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.378 9.863 -7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.869 8.569 -4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.375 7.916 -6.164 1.00 0.00 H new ATOM 340 N ASN A 21 -2.350 10.976 -3.249 1.00 0.00 N ATOM 341 CA ASN A 21 -2.496 11.784 -2.051 1.00 0.00 C ATOM 342 C ASN A 21 -1.934 11.063 -0.826 1.00 0.00 C ATOM 343 O ASN A 21 -2.422 11.060 0.303 1.00 0.00 O ATOM 344 CB ASN A 21 -3.971 12.272 -1.904 1.00 0.00 C ATOM 345 CG ASN A 21 -5.045 11.278 -2.310 1.00 0.00 C ATOM 346 OD1 ASN A 21 -5.005 10.630 -3.347 1.00 0.00 O ATOM 347 ND2 ASN A 21 -6.082 11.137 -1.518 1.00 0.00 N ATOM 0 H ASN A 21 -2.847 10.086 -3.215 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.893 12.688 -2.140 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.138 12.552 -0.864 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.095 13.175 -2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.834 10.497 -1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.136 11.668 -0.649 1.00 0.00 H new ATOM 354 N LEU A 22 -0.803 10.448 -1.148 1.00 0.00 N ATOM 355 CA LEU A 22 0.046 9.708 -0.250 1.00 0.00 C ATOM 356 C LEU A 22 1.485 10.021 -0.650 1.00 0.00 C ATOM 357 O LEU A 22 1.809 10.151 -1.834 1.00 0.00 O ATOM 358 CB LEU A 22 -0.254 8.213 -0.384 1.00 0.00 C ATOM 359 CG LEU A 22 0.579 7.411 0.613 1.00 0.00 C ATOM 360 CD1 LEU A 22 -0.277 6.528 1.526 1.00 0.00 C ATOM 361 CD2 LEU A 22 1.620 6.581 -0.129 1.00 0.00 C ATOM 0 H LEU A 22 -0.441 10.459 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.123 9.984 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.315 8.032 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.036 7.882 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 22 1.084 8.125 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.369 5.982 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.966 7.153 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.844 5.820 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.210 6.012 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.119 5.895 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.276 7.242 -0.695 1.00 0.00 H new ATOM 373 N ASN A 23 2.360 10.159 0.343 1.00 0.00 N ATOM 374 CA ASN A 23 3.756 10.504 0.132 1.00 0.00 C ATOM 375 C ASN A 23 4.638 9.283 -0.108 1.00 0.00 C ATOM 376 O ASN A 23 4.307 8.147 0.250 1.00 0.00 O ATOM 377 CB ASN A 23 4.239 11.316 1.370 1.00 0.00 C ATOM 378 CG ASN A 23 4.094 10.561 2.687 1.00 0.00 C ATOM 379 OD1 ASN A 23 3.508 9.483 2.779 1.00 0.00 O ATOM 380 ND2 ASN A 23 4.629 11.124 3.757 1.00 0.00 N ATOM 0 H ASN A 23 2.114 10.032 1.325 1.00 0.00 H new ATOM 0 HA ASN A 23 3.840 11.103 -0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.285 11.589 1.230 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.672 12.245 1.429 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.557 10.665 4.665 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.114 12.018 3.675 1.00 0.00 H new ATOM 387 N GLU A 24 5.791 9.533 -0.732 1.00 0.00 N ATOM 388 CA GLU A 24 6.760 8.484 -0.998 1.00 0.00 C ATOM 389 C GLU A 24 7.077 7.662 0.238 1.00 0.00 C ATOM 390 O GLU A 24 7.136 6.437 0.170 1.00 0.00 O ATOM 391 CB GLU A 24 8.036 9.057 -1.656 1.00 0.00 C ATOM 392 CG GLU A 24 7.761 9.782 -3.006 1.00 0.00 C ATOM 393 CD GLU A 24 6.726 9.049 -3.848 1.00 0.00 C ATOM 394 OE1 GLU A 24 6.996 7.964 -4.358 1.00 0.00 O ATOM 395 OE2 GLU A 24 5.603 9.531 -3.933 1.00 0.00 O ATOM 0 H GLU A 24 6.071 10.457 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 24 6.303 7.797 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.509 9.756 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.745 8.246 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.415 10.796 -2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.691 9.866 -3.568 1.00 0.00 H new ATOM 402 N GLU A 25 7.268 8.305 1.386 1.00 0.00 N ATOM 403 CA GLU A 25 7.534 7.619 2.643 1.00 0.00 C ATOM 404 C GLU A 25 6.486 6.543 2.937 1.00 0.00 C ATOM 405 O GLU A 25 6.829 5.373 3.146 1.00 0.00 O ATOM 406 CB GLU A 25 7.596 8.660 3.791 1.00 0.00 C ATOM 407 CG GLU A 25 8.545 9.863 3.496 1.00 0.00 C ATOM 408 CD GLU A 25 7.801 11.071 2.936 1.00 0.00 C ATOM 409 OE1 GLU A 25 7.590 11.140 1.728 1.00 0.00 O ATOM 410 OE2 GLU A 25 7.417 11.940 3.717 1.00 0.00 O ATOM 0 H GLU A 25 7.242 9.321 1.469 1.00 0.00 H new ATOM 0 HA GLU A 25 8.494 7.109 2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.592 9.039 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.927 8.163 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.058 10.150 4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.311 9.551 2.786 1.00 0.00 H new ATOM 417 N GLN A 26 5.187 6.884 2.954 1.00 0.00 N ATOM 418 CA GLN A 26 4.165 5.866 3.182 1.00 0.00 C ATOM 419 C GLN A 26 4.222 4.795 2.089 1.00 0.00 C ATOM 420 O GLN A 26 4.169 3.603 2.384 1.00 0.00 O ATOM 421 CB GLN A 26 2.752 6.496 3.320 1.00 0.00 C ATOM 422 CG GLN A 26 2.611 7.276 4.657 1.00 0.00 C ATOM 423 CD GLN A 26 1.214 7.844 4.897 1.00 0.00 C ATOM 424 OE1 GLN A 26 0.560 7.489 5.871 1.00 0.00 O ATOM 425 NE2 GLN A 26 0.662 8.752 4.111 1.00 0.00 N ATOM 0 H GLN A 26 4.833 7.831 2.816 1.00 0.00 H new ATOM 0 HA GLN A 26 4.375 5.375 4.132 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.568 7.169 2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.996 5.713 3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.870 6.613 5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.332 8.094 4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.162 9.084 3.286 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.264 9.121 4.329 1.00 0.00 H new ATOM 434 N ARG A 27 4.362 5.186 0.818 1.00 0.00 N ATOM 435 CA ARG A 27 4.454 4.254 -0.314 1.00 0.00 C ATOM 436 C ARG A 27 5.512 3.184 -0.055 1.00 0.00 C ATOM 437 O ARG A 27 5.255 1.979 -0.096 1.00 0.00 O ATOM 438 CB ARG A 27 4.788 5.125 -1.546 1.00 0.00 C ATOM 439 CG ARG A 27 4.238 4.618 -2.890 1.00 0.00 C ATOM 440 CD ARG A 27 4.704 5.474 -4.102 1.00 0.00 C ATOM 441 NE ARG A 27 4.329 6.885 -4.033 1.00 0.00 N ATOM 442 CZ ARG A 27 3.103 7.357 -3.979 1.00 0.00 C ATOM 443 NH1 ARG A 27 2.039 6.621 -4.057 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.938 8.631 -3.857 1.00 0.00 N ATOM 0 H ARG A 27 4.415 6.167 0.542 1.00 0.00 H new ATOM 0 HA ARG A 27 3.524 3.708 -0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.403 6.130 -1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.872 5.208 -1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.554 3.586 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.149 4.615 -2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.789 5.404 -4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.288 5.046 -5.014 1.00 0.00 H new ATOM 0 HE ARG A 27 5.088 7.566 -4.026 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.125 5.611 -4.167 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.116 7.052 -4.008 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.749 9.248 -3.805 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.997 9.021 -3.813 1.00 0.00 H new ATOM 458 N ASN A 28 6.723 3.642 0.247 1.00 0.00 N ATOM 459 CA ASN A 28 7.841 2.767 0.575 1.00 0.00 C ATOM 460 C ASN A 28 7.543 1.912 1.805 1.00 0.00 C ATOM 461 O ASN A 28 7.817 0.714 1.806 1.00 0.00 O ATOM 462 CB ASN A 28 9.109 3.619 0.784 1.00 0.00 C ATOM 463 CG ASN A 28 9.640 4.099 -0.552 1.00 0.00 C ATOM 464 OD1 ASN A 28 10.178 3.328 -1.333 1.00 0.00 O ATOM 465 ND2 ASN A 28 9.547 5.374 -0.864 1.00 0.00 N ATOM 0 H ASN A 28 6.956 4.635 0.271 1.00 0.00 H new ATOM 0 HA ASN A 28 8.003 2.079 -0.255 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.882 4.473 1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.871 3.032 1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.922 5.711 -1.751 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.100 6.026 -0.219 1.00 0.00 H new ATOM 472 N ALA A 29 6.972 2.483 2.871 1.00 0.00 N ATOM 473 CA ALA A 29 6.609 1.733 4.071 1.00 0.00 C ATOM 474 C ALA A 29 5.676 0.574 3.725 1.00 0.00 C ATOM 475 O ALA A 29 5.872 -0.565 4.144 1.00 0.00 O ATOM 476 CB ALA A 29 5.962 2.706 5.069 1.00 0.00 C ATOM 0 H ALA A 29 6.750 3.477 2.923 1.00 0.00 H new ATOM 0 HA ALA A 29 7.498 1.293 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.683 2.167 5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.672 3.494 5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.072 3.148 4.621 1.00 0.00 H new ATOM 482 N PHE A 30 4.641 0.854 2.936 1.00 0.00 N ATOM 483 CA PHE A 30 3.712 -0.172 2.487 1.00 0.00 C ATOM 484 C PHE A 30 4.436 -1.199 1.621 1.00 0.00 C ATOM 485 O PHE A 30 4.219 -2.394 1.788 1.00 0.00 O ATOM 486 CB PHE A 30 2.488 0.472 1.806 1.00 0.00 C ATOM 487 CG PHE A 30 1.708 1.107 2.960 1.00 0.00 C ATOM 488 CD1 PHE A 30 1.135 0.199 3.883 1.00 0.00 C ATOM 489 CD2 PHE A 30 1.523 2.486 3.175 1.00 0.00 C ATOM 490 CE1 PHE A 30 0.400 0.641 4.987 1.00 0.00 C ATOM 491 CE2 PHE A 30 0.784 2.935 4.286 1.00 0.00 C ATOM 492 CZ PHE A 30 0.225 2.014 5.191 1.00 0.00 C ATOM 0 H PHE A 30 4.427 1.791 2.594 1.00 0.00 H new ATOM 0 HA PHE A 30 3.322 -0.722 3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.788 1.218 1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.888 -0.271 1.281 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.269 -0.862 3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.949 3.201 2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.029 -0.071 5.676 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.645 3.994 4.445 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.339 2.367 6.042 1.00 0.00 H new ATOM 502 N ILE A 31 5.283 -0.780 0.675 1.00 0.00 N ATOM 503 CA ILE A 31 6.062 -1.723 -0.143 1.00 0.00 C ATOM 504 C ILE A 31 6.844 -2.691 0.755 1.00 0.00 C ATOM 505 O ILE A 31 6.840 -3.914 0.584 1.00 0.00 O ATOM 506 CB ILE A 31 6.990 -0.912 -1.082 1.00 0.00 C ATOM 507 CG1 ILE A 31 6.137 -0.355 -2.234 1.00 0.00 C ATOM 508 CG2 ILE A 31 8.207 -1.709 -1.603 1.00 0.00 C ATOM 509 CD1 ILE A 31 6.933 0.561 -3.169 1.00 0.00 C ATOM 0 H ILE A 31 5.448 0.202 0.455 1.00 0.00 H new ATOM 0 HA ILE A 31 5.399 -2.334 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 31 7.430 -0.099 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.724 -1.184 -2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.293 0.198 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.807 -1.073 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.813 -2.041 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.860 -2.577 -2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.281 0.925 -3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.324 1.407 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.761 0.003 -3.606 1.00 0.00 H new ATOM 521 N GLN A 32 7.524 -2.131 1.756 1.00 0.00 N ATOM 522 CA GLN A 32 8.277 -2.851 2.752 1.00 0.00 C ATOM 523 C GLN A 32 7.392 -3.883 3.459 1.00 0.00 C ATOM 524 O GLN A 32 7.742 -5.067 3.596 1.00 0.00 O ATOM 525 CB GLN A 32 8.821 -1.646 3.565 1.00 0.00 C ATOM 526 CG GLN A 32 8.993 -1.807 5.026 1.00 0.00 C ATOM 527 CD GLN A 32 9.594 -3.109 5.501 1.00 0.00 C ATOM 528 OE1 GLN A 32 10.714 -3.505 5.192 1.00 0.00 O ATOM 529 NE2 GLN A 32 8.789 -3.811 6.266 1.00 0.00 N ATOM 0 H GLN A 32 7.559 -1.120 1.890 1.00 0.00 H new ATOM 0 HA GLN A 32 9.089 -3.504 2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.788 -1.370 3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.150 -0.803 3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.620 -0.992 5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.017 -1.691 5.498 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.865 -3.449 6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.088 -4.718 6.624 1.00 0.00 H new ATOM 538 N SER A 33 6.223 -3.426 3.913 1.00 0.00 N ATOM 539 CA SER A 33 5.267 -4.326 4.549 1.00 0.00 C ATOM 540 C SER A 33 4.772 -5.387 3.567 1.00 0.00 C ATOM 541 O SER A 33 4.475 -6.496 3.995 1.00 0.00 O ATOM 542 CB SER A 33 4.047 -3.599 5.117 1.00 0.00 C ATOM 543 OG SER A 33 3.243 -4.582 5.769 1.00 0.00 O ATOM 0 H SER A 33 5.921 -2.454 3.853 1.00 0.00 H new ATOM 0 HA SER A 33 5.810 -4.789 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.352 -2.823 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.486 -3.107 4.322 1.00 0.00 H new ATOM 0 HG SER A 33 2.885 -4.211 6.603 1.00 0.00 H new ATOM 549 N LEU A 34 4.649 -5.077 2.272 1.00 0.00 N ATOM 550 CA LEU A 34 4.236 -5.999 1.211 1.00 0.00 C ATOM 551 C LEU A 34 5.253 -7.137 1.081 1.00 0.00 C ATOM 552 O LEU A 34 4.932 -8.296 0.808 1.00 0.00 O ATOM 553 CB LEU A 34 4.158 -5.199 -0.122 1.00 0.00 C ATOM 554 CG LEU A 34 3.026 -5.580 -1.094 1.00 0.00 C ATOM 555 CD1 LEU A 34 2.928 -7.093 -1.307 1.00 0.00 C ATOM 556 CD2 LEU A 34 1.689 -5.054 -0.564 1.00 0.00 C ATOM 0 H LEU A 34 4.842 -4.139 1.921 1.00 0.00 H new ATOM 0 HA LEU A 34 3.264 -6.433 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.055 -4.142 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.108 -5.315 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 34 3.258 -5.124 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.115 -7.311 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.866 -7.464 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.733 -7.583 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.891 -5.326 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.487 -5.492 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.735 -3.969 -0.473 1.00 0.00 H new ATOM 568 N LYS A 35 6.517 -6.732 1.250 1.00 0.00 N ATOM 569 CA LYS A 35 7.670 -7.617 1.238 1.00 0.00 C ATOM 570 C LYS A 35 7.631 -8.550 2.460 1.00 0.00 C ATOM 571 O LYS A 35 7.791 -9.762 2.333 1.00 0.00 O ATOM 572 CB LYS A 35 8.948 -6.741 1.168 1.00 0.00 C ATOM 573 CG LYS A 35 10.286 -7.515 1.124 1.00 0.00 C ATOM 574 CD LYS A 35 10.912 -7.859 2.498 1.00 0.00 C ATOM 575 CE LYS A 35 11.393 -6.619 3.283 1.00 0.00 C ATOM 576 NZ LYS A 35 10.372 -6.133 4.200 1.00 0.00 N ATOM 0 H LYS A 35 6.764 -5.754 1.402 1.00 0.00 H new ATOM 0 HA LYS A 35 7.664 -8.270 0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.885 -6.108 0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.960 -6.078 2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.129 -8.443 0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.006 -6.926 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.178 -8.397 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.755 -8.533 2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.295 -6.869 3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.661 -5.827 2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.396 -5.094 4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.436 -6.449 3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.554 -6.508 5.153 1.00 0.00 H new ATOM 590 N ASP A 36 7.421 -8.028 3.674 1.00 0.00 N ATOM 591 CA ASP A 36 7.329 -8.887 4.862 1.00 0.00 C ATOM 592 C ASP A 36 6.052 -9.733 4.997 1.00 0.00 C ATOM 593 O ASP A 36 6.132 -10.934 5.246 1.00 0.00 O ATOM 594 CB ASP A 36 7.571 -8.046 6.148 1.00 0.00 C ATOM 595 CG ASP A 36 9.035 -7.682 6.321 1.00 0.00 C ATOM 596 OD1 ASP A 36 9.922 -8.430 5.923 1.00 0.00 O ATOM 597 OD2 ASP A 36 9.317 -6.576 6.767 1.00 0.00 O ATOM 0 H ASP A 36 7.313 -7.031 3.860 1.00 0.00 H new ATOM 0 HA ASP A 36 8.117 -9.628 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.974 -7.135 6.104 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.232 -8.608 7.018 1.00 0.00 H new ATOM 602 N ASP A 37 4.858 -9.170 4.827 1.00 0.00 N ATOM 603 CA ASP A 37 3.595 -9.880 4.984 1.00 0.00 C ATOM 604 C ASP A 37 3.154 -10.761 3.807 1.00 0.00 C ATOM 605 O ASP A 37 2.989 -10.284 2.682 1.00 0.00 O ATOM 606 CB ASP A 37 2.539 -8.857 5.332 1.00 0.00 C ATOM 607 CG ASP A 37 1.136 -9.425 5.513 1.00 0.00 C ATOM 608 OD1 ASP A 37 0.943 -10.593 5.865 1.00 0.00 O ATOM 609 OD2 ASP A 37 0.205 -8.679 5.253 1.00 0.00 O ATOM 0 H ASP A 37 4.741 -8.189 4.572 1.00 0.00 H new ATOM 0 HA ASP A 37 3.743 -10.610 5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.832 -8.351 6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.512 -8.102 4.547 1.00 0.00 H new ATOM 614 N PRO A 38 3.008 -12.079 4.023 1.00 0.00 N ATOM 615 CA PRO A 38 2.539 -13.051 3.027 1.00 0.00 C ATOM 616 C PRO A 38 1.037 -13.339 3.123 1.00 0.00 C ATOM 617 O PRO A 38 0.419 -13.930 2.239 1.00 0.00 O ATOM 618 CB PRO A 38 3.337 -14.305 3.321 1.00 0.00 C ATOM 619 CG PRO A 38 4.381 -13.859 4.331 1.00 0.00 C ATOM 620 CD PRO A 38 3.621 -12.810 5.127 1.00 0.00 C ATOM 0 HA PRO A 38 2.684 -12.669 2.017 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.703 -15.094 3.726 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.801 -14.702 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.719 -14.683 4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.265 -13.443 3.848 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.885 -13.246 5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.277 -12.185 5.732 1.00 0.00 H new ATOM 628 N SER A 39 0.438 -12.932 4.237 1.00 0.00 N ATOM 629 CA SER A 39 -0.973 -13.167 4.528 1.00 0.00 C ATOM 630 C SER A 39 -1.975 -12.031 4.313 1.00 0.00 C ATOM 631 O SER A 39 -3.080 -12.291 3.836 1.00 0.00 O ATOM 632 CB SER A 39 -1.091 -13.618 6.000 1.00 0.00 C ATOM 633 OG SER A 39 -0.861 -12.541 6.908 1.00 0.00 O ATOM 0 H SER A 39 0.925 -12.422 4.974 1.00 0.00 H new ATOM 0 HA SER A 39 -1.259 -13.910 3.783 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.084 -14.033 6.174 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.374 -14.415 6.194 1.00 0.00 H new ATOM 0 HG SER A 39 -0.236 -11.902 6.506 1.00 0.00 H new ATOM 639 N GLN A 40 -1.678 -10.771 4.637 1.00 0.00 N ATOM 640 CA GLN A 40 -2.633 -9.669 4.505 1.00 0.00 C ATOM 641 C GLN A 40 -2.308 -8.446 3.624 1.00 0.00 C ATOM 642 O GLN A 40 -2.613 -7.333 4.058 1.00 0.00 O ATOM 643 CB GLN A 40 -2.879 -9.283 5.973 1.00 0.00 C ATOM 644 CG GLN A 40 -3.605 -10.380 6.784 1.00 0.00 C ATOM 645 CD GLN A 40 -3.330 -10.197 8.262 1.00 0.00 C ATOM 646 OE1 GLN A 40 -3.973 -9.401 8.938 1.00 0.00 O ATOM 647 NE2 GLN A 40 -2.361 -10.923 8.794 1.00 0.00 N ATOM 0 H GLN A 40 -0.768 -10.486 4.999 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.488 -10.024 3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.923 -9.063 6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.469 -8.367 6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.678 -10.333 6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.268 -11.365 6.462 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.838 -11.579 8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.136 -10.827 9.784 1.00 0.00 H new ATOM 656 N SER A 41 -1.752 -8.488 2.402 1.00 0.00 N ATOM 657 CA SER A 41 -1.499 -7.256 1.629 1.00 0.00 C ATOM 658 C SER A 41 -2.763 -6.423 1.472 1.00 0.00 C ATOM 659 O SER A 41 -2.680 -5.195 1.480 1.00 0.00 O ATOM 660 CB SER A 41 -0.847 -7.550 0.279 1.00 0.00 C ATOM 661 OG SER A 41 0.473 -8.011 0.547 1.00 0.00 O ATOM 0 H SER A 41 -1.472 -9.348 1.931 1.00 0.00 H new ATOM 0 HA SER A 41 -0.787 -6.662 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.415 -8.303 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.824 -6.654 -0.342 1.00 0.00 H new ATOM 0 HG SER A 41 0.574 -8.173 1.508 1.00 0.00 H new ATOM 667 N ALA A 42 -3.954 -7.013 1.307 1.00 0.00 N ATOM 668 CA ALA A 42 -5.176 -6.222 1.231 1.00 0.00 C ATOM 669 C ALA A 42 -5.287 -5.328 2.470 1.00 0.00 C ATOM 670 O ALA A 42 -5.721 -4.190 2.358 1.00 0.00 O ATOM 671 CB ALA A 42 -6.393 -7.147 1.115 1.00 0.00 C ATOM 0 H ALA A 42 -4.091 -8.020 1.225 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.144 -5.588 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.302 -6.548 1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.303 -7.755 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.441 -7.797 1.989 1.00 0.00 H new ATOM 677 N ASN A 43 -4.890 -5.784 3.666 1.00 0.00 N ATOM 678 CA ASN A 43 -4.929 -4.952 4.868 1.00 0.00 C ATOM 679 C ASN A 43 -3.979 -3.785 4.640 1.00 0.00 C ATOM 680 O ASN A 43 -4.317 -2.623 4.817 1.00 0.00 O ATOM 681 CB ASN A 43 -4.469 -5.744 6.112 1.00 0.00 C ATOM 682 CG ASN A 43 -5.326 -6.968 6.364 1.00 0.00 C ATOM 683 OD1 ASN A 43 -5.733 -7.688 5.457 1.00 0.00 O ATOM 684 ND2 ASN A 43 -5.576 -7.267 7.621 1.00 0.00 N ATOM 0 H ASN A 43 -4.538 -6.728 3.823 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.949 -4.613 5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.431 -6.051 5.981 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.502 -5.094 6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.113 -8.104 7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.233 -6.662 8.367 1.00 0.00 H new ATOM 691 N LEU A 44 -2.761 -4.117 4.218 1.00 0.00 N ATOM 692 CA LEU A 44 -1.737 -3.125 3.892 1.00 0.00 C ATOM 693 C LEU A 44 -2.149 -2.067 2.859 1.00 0.00 C ATOM 694 O LEU A 44 -1.805 -0.886 2.934 1.00 0.00 O ATOM 695 CB LEU A 44 -0.437 -3.881 3.475 1.00 0.00 C ATOM 696 CG LEU A 44 -0.205 -5.265 4.080 1.00 0.00 C ATOM 697 CD1 LEU A 44 1.115 -5.847 3.566 1.00 0.00 C ATOM 698 CD2 LEU A 44 -0.111 -5.178 5.603 1.00 0.00 C ATOM 0 H LEU A 44 -2.455 -5.082 4.092 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.567 -2.532 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.440 -3.984 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.416 -3.253 3.733 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.044 -5.898 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.272 -6.833 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.077 -5.933 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.937 -5.190 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.054 -6.174 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.719 -4.528 5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.040 -4.770 6.002 1.00 0.00 H new ATOM 710 N LEU A 45 -2.963 -2.511 1.912 1.00 0.00 N ATOM 711 CA LEU A 45 -3.448 -1.718 0.792 1.00 0.00 C ATOM 712 C LEU A 45 -4.536 -0.793 1.280 1.00 0.00 C ATOM 713 O LEU A 45 -4.532 0.413 1.039 1.00 0.00 O ATOM 714 CB LEU A 45 -3.966 -2.640 -0.319 1.00 0.00 C ATOM 715 CG LEU A 45 -4.658 -1.890 -1.479 1.00 0.00 C ATOM 716 CD1 LEU A 45 -3.788 -0.779 -2.096 1.00 0.00 C ATOM 717 CD2 LEU A 45 -5.128 -2.911 -2.526 1.00 0.00 C ATOM 0 H LEU A 45 -3.316 -3.468 1.902 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.635 -1.121 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.132 -3.217 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.669 -3.353 0.112 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.523 -1.365 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.336 -0.294 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.542 -0.042 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.869 -1.213 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.618 -2.390 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.269 -3.463 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.831 -3.606 -2.067 1.00 0.00 H new ATOM 729 N ALA A 46 -5.483 -1.405 1.989 1.00 0.00 N ATOM 730 CA ALA A 46 -6.575 -0.669 2.588 1.00 0.00 C ATOM 731 C ALA A 46 -5.964 0.362 3.530 1.00 0.00 C ATOM 732 O ALA A 46 -6.453 1.477 3.669 1.00 0.00 O ATOM 733 CB ALA A 46 -7.468 -1.657 3.363 1.00 0.00 C ATOM 0 H ALA A 46 -5.509 -2.411 2.158 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.186 -0.167 1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.297 -1.117 3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.860 -2.408 2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.880 -2.146 4.140 1.00 0.00 H new ATOM 739 N GLU A 47 -4.847 -0.003 4.167 1.00 0.00 N ATOM 740 CA GLU A 47 -4.180 0.937 5.058 1.00 0.00 C ATOM 741 C GLU A 47 -3.632 2.158 4.334 1.00 0.00 C ATOM 742 O GLU A 47 -3.982 3.302 4.625 1.00 0.00 O ATOM 743 CB GLU A 47 -3.089 0.235 5.899 1.00 0.00 C ATOM 744 CG GLU A 47 -3.690 -0.474 7.145 1.00 0.00 C ATOM 745 CD GLU A 47 -4.427 0.481 8.076 1.00 0.00 C ATOM 746 OE1 GLU A 47 -4.249 1.695 7.989 1.00 0.00 O ATOM 747 OE2 GLU A 47 -5.247 0.031 8.875 1.00 0.00 O ATOM 0 H GLU A 47 -4.400 -0.916 4.084 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.944 1.310 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.567 -0.496 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.349 0.968 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.377 -1.254 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.890 -0.966 7.698 1.00 0.00 H new ATOM 754 N ALA A 48 -2.759 1.917 3.363 1.00 0.00 N ATOM 755 CA ALA A 48 -2.200 3.002 2.569 1.00 0.00 C ATOM 756 C ALA A 48 -3.268 3.888 1.950 1.00 0.00 C ATOM 757 O ALA A 48 -3.143 5.114 1.891 1.00 0.00 O ATOM 758 CB ALA A 48 -1.335 2.350 1.480 1.00 0.00 C ATOM 0 H ALA A 48 -2.426 0.987 3.109 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.613 3.660 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.891 3.125 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.544 1.763 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.955 1.698 0.864 1.00 0.00 H new ATOM 764 N LYS A 49 -4.342 3.256 1.478 1.00 0.00 N ATOM 765 CA LYS A 49 -5.449 4.000 0.915 1.00 0.00 C ATOM 766 C LYS A 49 -6.176 4.813 1.993 1.00 0.00 C ATOM 767 O LYS A 49 -6.522 5.969 1.767 1.00 0.00 O ATOM 768 CB LYS A 49 -6.378 3.020 0.188 1.00 0.00 C ATOM 769 CG LYS A 49 -7.460 3.739 -0.641 1.00 0.00 C ATOM 770 CD LYS A 49 -6.807 4.702 -1.662 1.00 0.00 C ATOM 771 CE LYS A 49 -7.765 5.180 -2.752 1.00 0.00 C ATOM 772 NZ LYS A 49 -8.906 5.828 -2.137 1.00 0.00 N ATOM 0 H LYS A 49 -4.461 2.243 1.477 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.080 4.728 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.786 2.382 -0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.857 2.369 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.073 3.005 -1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.124 4.296 0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.413 5.568 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.959 4.202 -2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.256 5.873 -3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.095 4.336 -3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.778 5.334 -2.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.807 5.797 -1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.954 6.818 -2.451 1.00 0.00 H new ATOM 786 N LYS A 50 -6.393 4.255 3.193 1.00 0.00 N ATOM 787 CA LYS A 50 -7.054 4.957 4.290 1.00 0.00 C ATOM 788 C LYS A 50 -6.252 6.184 4.658 1.00 0.00 C ATOM 789 O LYS A 50 -6.784 7.259 4.931 1.00 0.00 O ATOM 790 CB LYS A 50 -7.143 4.032 5.519 1.00 0.00 C ATOM 791 CG LYS A 50 -8.257 2.986 5.389 1.00 0.00 C ATOM 792 CD LYS A 50 -8.019 1.758 6.291 1.00 0.00 C ATOM 793 CE LYS A 50 -8.040 2.048 7.810 1.00 0.00 C ATOM 794 NZ LYS A 50 -6.723 2.445 8.285 1.00 0.00 N ATOM 0 H LYS A 50 -6.113 3.302 3.425 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.056 5.248 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.188 3.525 5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.317 4.634 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.212 3.443 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.328 2.662 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.780 1.010 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.055 1.318 6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.760 2.838 8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.372 1.160 8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.500 1.930 9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.011 2.222 7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.716 3.468 8.474 1.00 0.00 H new ATOM 808 N LEU A 51 -4.933 5.989 4.663 1.00 0.00 N ATOM 809 CA LEU A 51 -4.051 7.098 4.950 1.00 0.00 C ATOM 810 C LEU A 51 -4.191 8.148 3.854 1.00 0.00 C ATOM 811 O LEU A 51 -4.485 9.310 4.097 1.00 0.00 O ATOM 812 CB LEU A 51 -2.625 6.562 5.122 1.00 0.00 C ATOM 813 CG LEU A 51 -2.537 5.767 6.434 1.00 0.00 C ATOM 814 CD1 LEU A 51 -1.404 4.757 6.372 1.00 0.00 C ATOM 815 CD2 LEU A 51 -2.361 6.703 7.642 1.00 0.00 C ATOM 0 H LEU A 51 -4.471 5.099 4.477 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.316 7.594 5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.359 5.925 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.913 7.387 5.135 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.476 5.228 6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.358 4.204 7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.580 4.063 5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.460 5.278 6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.302 6.111 8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.444 7.281 7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.212 7.381 7.704 1.00 0.00 H new ATOM 827 N ASN A 52 -4.027 7.708 2.610 1.00 0.00 N ATOM 828 CA ASN A 52 -4.078 8.545 1.424 1.00 0.00 C ATOM 829 C ASN A 52 -5.304 9.440 1.408 1.00 0.00 C ATOM 830 O ASN A 52 -5.253 10.640 1.151 1.00 0.00 O ATOM 831 CB ASN A 52 -4.035 7.564 0.236 1.00 0.00 C ATOM 832 CG ASN A 52 -4.249 8.232 -1.104 1.00 0.00 C ATOM 833 OD1 ASN A 52 -3.328 8.560 -1.840 1.00 0.00 O ATOM 834 ND2 ASN A 52 -5.479 8.483 -1.496 1.00 0.00 N ATOM 0 H ASN A 52 -3.849 6.726 2.397 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.243 9.244 1.385 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.071 7.055 0.230 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.799 6.799 0.378 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.645 8.940 -2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.267 8.221 -0.903 1.00 0.00 H new ATOM 841 N ASP A 53 -6.421 8.808 1.709 1.00 0.00 N ATOM 842 CA ASP A 53 -7.694 9.501 1.794 1.00 0.00 C ATOM 843 C ASP A 53 -7.742 10.438 3.002 1.00 0.00 C ATOM 844 O ASP A 53 -8.067 11.615 2.858 1.00 0.00 O ATOM 845 CB ASP A 53 -8.818 8.433 1.765 1.00 0.00 C ATOM 846 CG ASP A 53 -8.800 7.647 0.458 1.00 0.00 C ATOM 847 OD1 ASP A 53 -8.235 8.100 -0.535 1.00 0.00 O ATOM 848 OD2 ASP A 53 -9.354 6.555 0.391 1.00 0.00 O ATOM 0 H ASP A 53 -6.474 7.808 1.900 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.838 10.164 0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.695 7.749 2.605 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.787 8.918 1.887 1.00 0.00 H new ATOM 853 N ALA A 54 -7.398 9.974 4.207 1.00 0.00 N ATOM 854 CA ALA A 54 -7.420 10.813 5.399 1.00 0.00 C ATOM 855 C ALA A 54 -6.560 12.067 5.274 1.00 0.00 C ATOM 856 O ALA A 54 -6.948 13.165 5.669 1.00 0.00 O ATOM 857 CB ALA A 54 -6.935 9.950 6.570 1.00 0.00 C ATOM 0 H ALA A 54 -7.099 9.014 4.379 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.437 11.173 5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.937 10.543 7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.600 9.095 6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.923 9.598 6.368 1.00 0.00 H new ATOM 863 N GLN A 55 -5.368 11.921 4.710 1.00 0.00 N ATOM 864 CA GLN A 55 -4.472 13.053 4.533 1.00 0.00 C ATOM 865 C GLN A 55 -4.855 13.937 3.343 1.00 0.00 C ATOM 866 O GLN A 55 -4.207 14.960 3.100 1.00 0.00 O ATOM 867 CB GLN A 55 -3.008 12.559 4.483 1.00 0.00 C ATOM 868 CG GLN A 55 -2.708 11.580 3.322 1.00 0.00 C ATOM 869 CD GLN A 55 -1.932 10.365 3.764 1.00 0.00 C ATOM 870 OE1 GLN A 55 -1.789 9.987 4.924 1.00 0.00 O ATOM 871 NE2 GLN A 55 -1.431 9.698 2.753 1.00 0.00 N ATOM 0 H GLN A 55 -5.001 11.032 4.369 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.574 13.708 5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.348 13.422 4.395 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.769 12.069 5.427 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.648 11.260 2.871 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.145 12.103 2.549 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.567 10.037 1.801 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.906 8.840 2.919 1.00 0.00 H new ATOM 880 N ALA A 56 -5.913 13.620 2.589 1.00 0.00 N ATOM 881 CA ALA A 56 -6.281 14.407 1.421 1.00 0.00 C ATOM 882 C ALA A 56 -7.260 15.566 1.690 1.00 0.00 C ATOM 883 O ALA A 56 -6.752 16.637 2.046 1.00 0.00 O ATOM 884 CB ALA A 56 -6.726 13.415 0.336 1.00 0.00 C ATOM 0 H ALA A 56 -6.525 12.824 2.771 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.414 14.967 1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.012 13.962 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.904 12.739 0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.578 12.839 0.697 1.00 0.00 H new ATOM 890 N PRO A 57 -8.606 15.495 1.602 1.00 0.00 N ATOM 891 CA PRO A 57 -9.527 16.626 1.814 1.00 0.00 C ATOM 892 C PRO A 57 -9.717 17.124 3.255 1.00 0.00 C ATOM 893 O PRO A 57 -10.766 16.983 3.889 1.00 0.00 O ATOM 894 CB PRO A 57 -10.828 16.122 1.175 1.00 0.00 C ATOM 895 CG PRO A 57 -10.805 14.665 1.580 1.00 0.00 C ATOM 896 CD PRO A 57 -9.352 14.271 1.316 1.00 0.00 C ATOM 0 HA PRO A 57 -9.119 17.534 1.370 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.705 16.643 1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -10.831 16.249 0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.078 14.530 2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.501 14.069 0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.036 13.450 1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.206 13.944 0.287 1.00 0.00 H new ATOM 904 N LYS A 58 -8.654 17.728 3.768 1.00 0.00 N ATOM 905 CA LYS A 58 -8.596 18.328 5.093 1.00 0.00 C ATOM 906 C LYS A 58 -7.615 19.506 5.133 1.00 0.00 C ATOM 907 O LYS A 58 -6.714 19.572 4.293 1.00 0.00 O ATOM 908 CB LYS A 58 -8.254 17.232 6.140 1.00 0.00 C ATOM 909 CG LYS A 58 -6.961 16.445 5.839 1.00 0.00 C ATOM 910 CD LYS A 58 -5.688 17.207 6.258 1.00 0.00 C ATOM 911 CE LYS A 58 -4.505 16.969 5.314 1.00 0.00 C ATOM 912 NZ LYS A 58 -4.840 17.450 3.979 1.00 0.00 N ATOM 913 OXT LYS A 58 -7.744 20.358 6.012 1.00 0.00 O ATOM 0 H LYS A 58 -7.777 17.817 3.254 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.572 18.744 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.161 17.699 7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.086 16.531 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.994 15.488 6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.914 16.226 4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.906 18.274 6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.406 16.904 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.620 17.485 5.686 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.263 15.907 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.022 17.950 3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.088 16.643 3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.649 18.101 4.037 1.00 0.00 H new TER 927 LYS A 58