USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 408 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 14 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 30 LYS NZ :NH3+ -159:sc= -0.0644 (180deg=-0.444) USER MOD Set 2.1: A 11 ASN : amide:sc= -0.845 K(o=-1.2,f=-4.9!) USER MOD Set 2.2: A 43 HIS :FLIP no HD1:sc= -0.321 F(o=-1.7,f=-1.2) USER MOD Single : A 1 VAL N :NH3+ -122:sc= -0.236 (180deg=-0.459) USER MOD Single : A 5 TYR OH : rot -61:sc= 1.31 USER MOD Single : A 8 GLN : amide:sc= 1.21 K(o=1.2,f=-0.026) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS :FLIP no HD1:sc= -0.063 F(o=-0.7,f=-0.063) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 21 SER OG : rot 180:sc= 0.157 USER MOD Single : A 25 THR OG1 : rot 90:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0173) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00542 USER MOD Single : A 34 SER OG : rot 0:sc= 1.16 USER MOD Single : A 36 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 40 LYS NZ :NH3+ 155:sc= 0.536 (180deg=0.239) USER MOD Single : A 50 ASN : amide:sc= 0.99 K(o=0.99,f=-4.4!) USER MOD Single : A 55 ASN : amide:sc= -0.163 K(o=-0.16,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.616 12.148 5.308 1.00 0.00 N ATOM 2 CA VAL A 1 6.468 10.771 4.770 1.00 0.00 C ATOM 3 C VAL A 1 5.516 9.973 5.623 1.00 0.00 C ATOM 4 O VAL A 1 5.256 10.314 6.779 1.00 0.00 O ATOM 5 CB VAL A 1 7.822 10.059 4.660 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.734 10.829 3.677 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.489 9.875 6.044 1.00 0.00 C ATOM 0 H1 VAL A 1 6.346 12.837 4.577 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.000 12.264 6.138 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.605 12.308 5.586 1.00 0.00 H new ATOM 0 HA VAL A 1 6.056 10.850 3.764 1.00 0.00 H new ATOM 0 HB VAL A 1 7.658 9.056 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.696 10.322 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.263 10.864 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.887 11.844 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.446 9.367 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.652 10.851 6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.840 9.278 6.684 1.00 0.00 H new ATOM 19 N ARG A 2 4.970 8.868 5.062 1.00 0.00 N ATOM 20 CA ARG A 2 4.113 7.959 5.785 1.00 0.00 C ATOM 21 C ARG A 2 4.894 6.689 5.969 1.00 0.00 C ATOM 22 O ARG A 2 5.811 6.402 5.196 1.00 0.00 O ATOM 23 CB ARG A 2 2.814 7.540 5.044 1.00 0.00 C ATOM 24 CG ARG A 2 1.882 8.677 4.589 1.00 0.00 C ATOM 25 CD ARG A 2 2.270 9.301 3.239 1.00 0.00 C ATOM 26 NE ARG A 2 1.035 9.784 2.532 1.00 0.00 N ATOM 27 CZ ARG A 2 0.386 10.949 2.839 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.785 11.730 3.882 1.00 0.00 N ATOM 29 NH2 ARG A 2 -0.674 11.340 2.069 1.00 0.00 N ATOM 0 H ARG A 2 5.125 8.600 4.090 1.00 0.00 H new ATOM 0 HA ARG A 2 3.817 8.477 6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.095 6.958 4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.248 6.877 5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.864 8.293 4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.879 9.457 5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.959 10.131 3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.790 8.567 2.624 1.00 0.00 H new ATOM 0 HE ARG A 2 0.658 9.209 1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.583 11.450 4.453 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.286 12.594 4.092 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.970 10.766 1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.169 12.206 2.284 1.00 0.00 H new ATOM 43 N ASP A 3 4.491 5.864 6.963 1.00 0.00 N ATOM 44 CA ASP A 3 4.812 4.464 7.008 1.00 0.00 C ATOM 45 C ASP A 3 3.405 4.008 7.174 1.00 0.00 C ATOM 46 O ASP A 3 2.693 4.576 8.007 1.00 0.00 O ATOM 47 CB ASP A 3 5.638 3.975 8.230 1.00 0.00 C ATOM 48 CG ASP A 3 6.937 4.771 8.352 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.770 4.697 7.410 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.116 5.462 9.390 1.00 0.00 O ATOM 0 H ASP A 3 3.929 6.179 7.754 1.00 0.00 H new ATOM 0 HA ASP A 3 5.425 4.124 6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.050 4.085 9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.864 2.914 8.123 1.00 0.00 H new ATOM 55 N GLY A 4 2.915 3.085 6.334 1.00 0.00 N ATOM 56 CA GLY A 4 1.563 2.645 6.478 1.00 0.00 C ATOM 57 C GLY A 4 1.561 1.379 5.724 1.00 0.00 C ATOM 58 O GLY A 4 2.610 0.937 5.255 1.00 0.00 O ATOM 0 H GLY A 4 3.437 2.651 5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.293 2.496 7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.855 3.364 6.066 1.00 0.00 H new ATOM 62 N TYR A 5 0.359 0.826 5.483 1.00 0.00 N ATOM 63 CA TYR A 5 0.179 -0.158 4.451 1.00 0.00 C ATOM 64 C TYR A 5 -0.004 0.658 3.204 1.00 0.00 C ATOM 65 O TYR A 5 -0.593 1.736 3.279 1.00 0.00 O ATOM 66 CB TYR A 5 -1.093 -1.003 4.664 1.00 0.00 C ATOM 67 CG TYR A 5 -0.854 -2.191 5.536 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.374 -3.391 4.987 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.184 -2.145 6.901 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.263 -4.537 5.780 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.071 -3.289 7.698 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.626 -4.489 7.134 1.00 0.00 C ATOM 73 OH TYR A 5 -0.634 -5.666 7.912 1.00 0.00 O ATOM 0 H TYR A 5 -0.490 1.057 6.000 1.00 0.00 H new ATOM 0 HA TYR A 5 1.018 -0.853 4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.868 -0.380 5.110 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.469 -1.337 3.697 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.089 -3.429 3.946 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.528 -1.219 7.338 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.102 -5.458 5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.327 -3.246 8.746 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.272 -6.305 7.531 1.00 0.00 H new ATOM 83 N ILE A 6 0.510 0.201 2.043 1.00 0.00 N ATOM 84 CA ILE A 6 0.274 0.853 0.784 1.00 0.00 C ATOM 85 C ILE A 6 -0.963 0.211 0.211 1.00 0.00 C ATOM 86 O ILE A 6 -1.180 -1.014 0.332 1.00 0.00 O ATOM 87 CB ILE A 6 1.480 0.886 -0.170 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.274 1.876 -1.347 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.883 -0.525 -0.629 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.444 1.987 -2.327 1.00 0.00 C ATOM 0 H ILE A 6 1.097 -0.631 1.976 1.00 0.00 H new ATOM 0 HA ILE A 6 0.116 1.920 0.939 1.00 0.00 H new ATOM 0 HB ILE A 6 2.327 1.276 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.386 1.574 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.072 2.865 -0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.738 -0.458 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.150 -1.128 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.047 -0.991 -1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.196 2.704 -3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.334 2.324 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.637 1.012 -2.776 1.00 0.00 H new ATOM 102 N ALA A 7 -1.769 1.105 -0.414 1.00 0.00 N ATOM 103 CA ALA A 7 -2.967 0.884 -1.143 1.00 0.00 C ATOM 104 C ALA A 7 -2.770 1.843 -2.254 1.00 0.00 C ATOM 105 O ALA A 7 -1.813 2.615 -2.229 1.00 0.00 O ATOM 106 CB ALA A 7 -4.274 1.286 -0.440 1.00 0.00 C ATOM 0 H ALA A 7 -1.537 2.098 -0.395 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.093 -0.176 -1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.120 1.071 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.378 0.721 0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.253 2.352 -0.214 1.00 0.00 H new ATOM 112 N GLN A 8 -3.698 1.808 -3.221 1.00 0.00 N ATOM 113 CA GLN A 8 -3.763 2.642 -4.383 1.00 0.00 C ATOM 114 C GLN A 8 -4.484 3.907 -3.951 1.00 0.00 C ATOM 115 O GLN A 8 -5.175 3.852 -2.927 1.00 0.00 O ATOM 116 CB GLN A 8 -4.573 1.937 -5.508 1.00 0.00 C ATOM 117 CG GLN A 8 -4.013 0.544 -5.866 1.00 0.00 C ATOM 118 CD GLN A 8 -4.935 -0.169 -6.864 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.238 0.375 -7.930 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.399 -1.404 -6.516 1.00 0.00 N ATOM 0 H GLN A 8 -4.469 1.141 -3.189 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.768 2.855 -4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.611 1.836 -5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.570 2.565 -6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.015 0.646 -6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.913 -0.057 -4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.125 -1.819 -5.626 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.020 -1.912 -7.146 1.00 0.00 H new ATOM 129 N PRO A 9 -4.381 5.045 -4.654 1.00 0.00 N ATOM 130 CA PRO A 9 -4.701 6.340 -4.063 1.00 0.00 C ATOM 131 C PRO A 9 -6.157 6.595 -3.780 1.00 0.00 C ATOM 132 O PRO A 9 -6.439 7.577 -3.098 1.00 0.00 O ATOM 133 CB PRO A 9 -4.233 7.363 -5.106 1.00 0.00 C ATOM 134 CG PRO A 9 -3.043 6.681 -5.777 1.00 0.00 C ATOM 135 CD PRO A 9 -3.468 5.211 -5.797 1.00 0.00 C ATOM 0 HA PRO A 9 -4.219 6.396 -3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.021 7.591 -5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.944 8.305 -4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.869 7.066 -6.782 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.121 6.829 -5.215 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.964 4.960 -6.734 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.604 4.552 -5.707 1.00 0.00 H new ATOM 143 N GLU A 10 -7.090 5.759 -4.293 1.00 0.00 N ATOM 144 CA GLU A 10 -8.505 5.947 -4.088 1.00 0.00 C ATOM 145 C GLU A 10 -8.946 5.027 -2.985 1.00 0.00 C ATOM 146 O GLU A 10 -10.148 4.811 -2.822 1.00 0.00 O ATOM 147 CB GLU A 10 -9.356 5.631 -5.342 1.00 0.00 C ATOM 148 CG GLU A 10 -8.940 6.380 -6.626 1.00 0.00 C ATOM 149 CD GLU A 10 -9.326 7.860 -6.568 1.00 0.00 C ATOM 150 OE1 GLU A 10 -8.678 8.626 -5.806 1.00 0.00 O ATOM 151 OE2 GLU A 10 -10.283 8.246 -7.294 1.00 0.00 O ATOM 0 H GLU A 10 -6.860 4.941 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.658 6.999 -3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.307 4.559 -5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.397 5.868 -5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.863 6.290 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.415 5.914 -7.489 1.00 0.00 H new ATOM 158 N ASN A 11 -7.969 4.481 -2.218 1.00 0.00 N ATOM 159 CA ASN A 11 -8.175 3.699 -1.020 1.00 0.00 C ATOM 160 C ASN A 11 -8.669 2.328 -1.379 1.00 0.00 C ATOM 161 O ASN A 11 -9.684 1.843 -0.886 1.00 0.00 O ATOM 162 CB ASN A 11 -9.077 4.369 0.045 1.00 0.00 C ATOM 163 CG ASN A 11 -9.025 3.562 1.345 1.00 0.00 C ATOM 164 OD1 ASN A 11 -7.948 3.108 1.747 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.204 3.387 2.007 1.00 0.00 N ATOM 0 H ASN A 11 -6.981 4.591 -2.446 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.200 3.623 -0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.745 5.391 0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.103 4.427 -0.318 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.225 2.859 2.880 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.065 3.784 1.630 1.00 0.00 H new ATOM 172 N CYS A 12 -7.909 1.652 -2.242 1.00 0.00 N ATOM 173 CA CYS A 12 -8.192 0.287 -2.650 1.00 0.00 C ATOM 174 C CYS A 12 -6.834 -0.279 -2.513 1.00 0.00 C ATOM 175 O CYS A 12 -5.902 0.395 -2.935 1.00 0.00 O ATOM 176 CB CYS A 12 -8.584 0.083 -4.143 1.00 0.00 C ATOM 177 SG CYS A 12 -10.368 -0.046 -4.482 1.00 0.00 S ATOM 0 H CYS A 12 -7.075 2.045 -2.677 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.027 -0.125 -2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.182 0.915 -4.722 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.098 -0.822 -4.507 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.556 -0.211 -5.758 1.00 0.00 H new ATOM 182 N VAL A 13 -6.657 -1.493 -1.940 1.00 0.00 N ATOM 183 CA VAL A 13 -5.339 -1.998 -1.641 1.00 0.00 C ATOM 184 C VAL A 13 -4.522 -2.221 -2.880 1.00 0.00 C ATOM 185 O VAL A 13 -5.027 -2.412 -3.987 1.00 0.00 O ATOM 186 CB VAL A 13 -5.289 -3.215 -0.730 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.349 -2.714 0.728 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.411 -4.213 -1.073 1.00 0.00 C ATOM 0 H VAL A 13 -7.419 -2.121 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.888 -1.195 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.361 -3.768 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.315 -3.566 1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.499 -2.060 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.275 -2.162 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.350 -5.073 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.379 -3.728 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.299 -4.546 -2.105 1.00 0.00 H new ATOM 198 N TYR A 14 -3.192 -2.176 -2.691 1.00 0.00 N ATOM 199 CA TYR A 14 -2.211 -2.413 -3.695 1.00 0.00 C ATOM 200 C TYR A 14 -1.913 -3.745 -3.141 1.00 0.00 C ATOM 201 O TYR A 14 -1.764 -3.829 -1.924 1.00 0.00 O ATOM 202 CB TYR A 14 -0.936 -1.530 -3.574 1.00 0.00 C ATOM 203 CG TYR A 14 -0.687 -0.722 -4.816 1.00 0.00 C ATOM 204 CD1 TYR A 14 -0.601 -1.330 -6.083 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.491 0.663 -4.722 1.00 0.00 C ATOM 206 CE1 TYR A 14 -0.354 -0.560 -7.229 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.253 1.437 -5.859 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.186 0.828 -7.116 1.00 0.00 C ATOM 209 OH TYR A 14 0.040 1.630 -8.255 1.00 0.00 O ATOM 0 H TYR A 14 -2.781 -1.961 -1.783 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.509 -2.261 -4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.040 -0.860 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.073 -2.166 -3.377 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.726 -2.399 -6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.525 1.139 -3.753 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.293 -1.035 -8.197 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.121 2.505 -5.768 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.329 2.525 -8.103 1.00 0.00 H new ATOM 219 N HIS A 15 -1.930 -4.810 -3.956 1.00 0.00 N ATOM 220 CA HIS A 15 -1.903 -6.135 -3.400 1.00 0.00 C ATOM 221 C HIS A 15 -0.458 -6.475 -3.256 1.00 0.00 C ATOM 222 O HIS A 15 0.393 -5.616 -3.047 1.00 0.00 O ATOM 223 CB HIS A 15 -2.674 -7.174 -4.251 1.00 0.00 C ATOM 224 CG HIS A 15 -4.165 -6.996 -4.171 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.088 -7.799 -3.594 1.00 0.00 N flip ATOM 226 CD2 HIS A 15 -4.831 -5.902 -4.654 1.00 0.00 C flip ATOM 227 CE1 HIS A 15 -6.302 -7.186 -3.733 1.00 0.00 C flip ATOM 228 NE2 HIS A 15 -6.120 -6.042 -4.378 1.00 0.00 N flip ATOM 0 H HIS A 15 -1.962 -4.765 -4.975 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.420 -6.161 -2.441 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.358 -7.093 -5.291 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.413 -8.178 -3.916 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.383 -5.067 -5.172 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.248 -7.568 -3.378 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.854 -5.377 -4.622 1.00 0.00 H new ATOM 237 N CYS A 16 -0.119 -7.753 -3.346 1.00 0.00 N ATOM 238 CA CYS A 16 1.195 -8.234 -3.150 1.00 0.00 C ATOM 239 C CYS A 16 1.003 -9.423 -4.017 1.00 0.00 C ATOM 240 O CYS A 16 -0.138 -9.793 -4.315 1.00 0.00 O ATOM 241 CB CYS A 16 1.460 -8.599 -1.664 1.00 0.00 C ATOM 242 SG CYS A 16 2.961 -9.570 -1.342 1.00 0.00 S ATOM 0 H CYS A 16 -0.790 -8.489 -3.566 1.00 0.00 H new ATOM 0 HA CYS A 16 2.035 -7.576 -3.371 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.517 -7.676 -1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.602 -9.157 -1.288 1.00 0.00 H new ATOM 247 N PHE A 17 2.103 -10.041 -4.461 1.00 0.00 N ATOM 248 CA PHE A 17 2.074 -11.283 -5.153 1.00 0.00 C ATOM 249 C PHE A 17 2.730 -12.082 -4.064 1.00 0.00 C ATOM 250 O PHE A 17 3.877 -11.731 -3.783 1.00 0.00 O ATOM 251 CB PHE A 17 2.938 -11.268 -6.440 1.00 0.00 C ATOM 252 CG PHE A 17 2.497 -10.186 -7.413 1.00 0.00 C ATOM 253 CD1 PHE A 17 1.139 -9.867 -7.626 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.468 -9.467 -8.138 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.769 -8.855 -8.523 1.00 0.00 C ATOM 256 CE2 PHE A 17 3.101 -8.446 -9.025 1.00 0.00 C ATOM 257 CZ PHE A 17 1.750 -8.139 -9.217 1.00 0.00 C ATOM 0 H PHE A 17 3.043 -9.665 -4.335 1.00 0.00 H new ATOM 0 HA PHE A 17 1.103 -11.619 -5.518 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.983 -11.110 -6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.877 -12.241 -6.928 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.374 -10.410 -7.091 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.513 -9.707 -8.008 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.275 -8.628 -8.678 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.861 -7.896 -9.560 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.465 -7.352 -9.899 1.00 0.00 H new ATOM 267 N PRO A 18 2.079 -13.038 -3.374 1.00 0.00 N ATOM 268 CA PRO A 18 2.507 -13.477 -2.051 1.00 0.00 C ATOM 269 C PRO A 18 3.892 -14.065 -1.954 1.00 0.00 C ATOM 270 O PRO A 18 4.096 -15.237 -2.266 1.00 0.00 O ATOM 271 CB PRO A 18 1.454 -14.512 -1.648 1.00 0.00 C ATOM 272 CG PRO A 18 0.164 -13.919 -2.210 1.00 0.00 C ATOM 273 CD PRO A 18 0.632 -13.266 -3.518 1.00 0.00 C ATOM 0 HA PRO A 18 2.578 -12.610 -1.394 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.667 -15.493 -2.073 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.404 -14.638 -0.566 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.590 -14.686 -2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.277 -13.191 -1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.424 -13.912 -4.371 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.106 -12.327 -3.693 1.00 0.00 H new ATOM 281 N GLY A 19 4.837 -13.246 -1.475 1.00 0.00 N ATOM 282 CA GLY A 19 6.211 -13.544 -1.260 1.00 0.00 C ATOM 283 C GLY A 19 6.635 -12.138 -1.009 1.00 0.00 C ATOM 284 O GLY A 19 5.785 -11.245 -1.028 1.00 0.00 O ATOM 0 H GLY A 19 4.615 -12.285 -1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.384 -14.208 -0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.698 -13.997 -2.124 1.00 0.00 H new ATOM 288 N SER A 20 7.934 -11.870 -0.773 1.00 0.00 N ATOM 289 CA SER A 20 8.421 -10.534 -0.525 1.00 0.00 C ATOM 290 C SER A 20 8.334 -9.726 -1.803 1.00 0.00 C ATOM 291 O SER A 20 7.955 -8.552 -1.815 1.00 0.00 O ATOM 292 CB SER A 20 9.893 -10.604 -0.041 1.00 0.00 C ATOM 293 OG SER A 20 10.081 -11.753 0.791 1.00 0.00 O ATOM 0 H SER A 20 8.661 -12.586 -0.753 1.00 0.00 H new ATOM 0 HA SER A 20 7.815 -10.056 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.564 -10.652 -0.898 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.146 -9.699 0.512 1.00 0.00 H new ATOM 0 HG SER A 20 11.013 -11.791 1.091 1.00 0.00 H new ATOM 299 N SER A 21 8.664 -10.422 -2.914 1.00 0.00 N ATOM 300 CA SER A 21 8.829 -9.991 -4.272 1.00 0.00 C ATOM 301 C SER A 21 7.777 -9.050 -4.787 1.00 0.00 C ATOM 302 O SER A 21 8.092 -7.975 -5.296 1.00 0.00 O ATOM 303 CB SER A 21 8.891 -11.254 -5.165 1.00 0.00 C ATOM 304 OG SER A 21 9.486 -12.325 -4.426 1.00 0.00 O ATOM 0 H SER A 21 8.837 -11.425 -2.841 1.00 0.00 H new ATOM 0 HA SER A 21 9.750 -9.409 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.889 -11.534 -5.490 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.472 -11.050 -6.064 1.00 0.00 H new ATOM 0 HG SER A 21 9.526 -13.127 -4.987 1.00 0.00 H new ATOM 310 N GLY A 22 6.479 -9.412 -4.671 1.00 0.00 N ATOM 311 CA GLY A 22 5.438 -8.636 -5.311 1.00 0.00 C ATOM 312 C GLY A 22 5.252 -7.315 -4.641 1.00 0.00 C ATOM 313 O GLY A 22 5.089 -6.288 -5.298 1.00 0.00 O ATOM 0 H GLY A 22 6.150 -10.223 -4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.691 -8.481 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.501 -9.192 -5.288 1.00 0.00 H new ATOM 317 N CYS A 23 5.326 -7.310 -3.296 1.00 0.00 N ATOM 318 CA CYS A 23 5.171 -6.098 -2.532 1.00 0.00 C ATOM 319 C CYS A 23 6.384 -5.245 -2.749 1.00 0.00 C ATOM 320 O CYS A 23 6.248 -4.064 -3.055 1.00 0.00 O ATOM 321 CB CYS A 23 4.973 -6.366 -1.024 1.00 0.00 C ATOM 322 SG CYS A 23 4.908 -4.884 0.035 1.00 0.00 S ATOM 0 H CYS A 23 5.493 -8.144 -2.733 1.00 0.00 H new ATOM 0 HA CYS A 23 4.270 -5.589 -2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.048 -6.927 -0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.786 -7.004 -0.676 1.00 0.00 H new ATOM 327 N ASP A 24 7.597 -5.837 -2.646 1.00 0.00 N ATOM 328 CA ASP A 24 8.847 -5.127 -2.834 1.00 0.00 C ATOM 329 C ASP A 24 8.873 -4.427 -4.179 1.00 0.00 C ATOM 330 O ASP A 24 9.212 -3.250 -4.263 1.00 0.00 O ATOM 331 CB ASP A 24 10.073 -6.070 -2.690 1.00 0.00 C ATOM 332 CG ASP A 24 11.391 -5.289 -2.642 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.524 -4.413 -1.746 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.273 -5.562 -3.498 1.00 0.00 O ATOM 0 H ASP A 24 7.717 -6.826 -2.428 1.00 0.00 H new ATOM 0 HA ASP A 24 8.913 -4.375 -2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.970 -6.664 -1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.095 -6.768 -3.527 1.00 0.00 H new ATOM 339 N THR A 25 8.430 -5.122 -5.248 1.00 0.00 N ATOM 340 CA THR A 25 8.343 -4.558 -6.581 1.00 0.00 C ATOM 341 C THR A 25 7.417 -3.353 -6.617 1.00 0.00 C ATOM 342 O THR A 25 7.795 -2.291 -7.114 1.00 0.00 O ATOM 343 CB THR A 25 7.844 -5.576 -7.593 1.00 0.00 C ATOM 344 OG1 THR A 25 8.609 -6.779 -7.523 1.00 0.00 O ATOM 345 CG2 THR A 25 7.942 -5.025 -9.032 1.00 0.00 C ATOM 0 H THR A 25 8.125 -6.094 -5.194 1.00 0.00 H new ATOM 0 HA THR A 25 9.355 -4.251 -6.846 1.00 0.00 H new ATOM 0 HB THR A 25 6.802 -5.783 -7.349 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.197 -7.392 -6.879 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.578 -5.775 -9.734 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.336 -4.123 -9.118 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.981 -4.788 -9.261 1.00 0.00 H new ATOM 353 N LEU A 26 6.184 -3.487 -6.066 1.00 0.00 N ATOM 354 CA LEU A 26 5.166 -2.454 -6.092 1.00 0.00 C ATOM 355 C LEU A 26 5.581 -1.288 -5.243 1.00 0.00 C ATOM 356 O LEU A 26 5.412 -0.121 -5.596 1.00 0.00 O ATOM 357 CB LEU A 26 3.804 -2.949 -5.555 1.00 0.00 C ATOM 358 CG LEU A 26 3.113 -3.964 -6.491 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.010 -4.733 -5.745 1.00 0.00 C ATOM 360 CD2 LEU A 26 2.576 -3.293 -7.770 1.00 0.00 C ATOM 0 H LEU A 26 5.883 -4.337 -5.588 1.00 0.00 H new ATOM 0 HA LEU A 26 5.057 -2.167 -7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.951 -3.408 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.146 -2.093 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 26 3.866 -4.686 -6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.537 -5.442 -6.425 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.447 -5.272 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.262 -4.031 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.098 -4.042 -8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.849 -2.527 -7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.401 -2.834 -8.314 1.00 0.00 H new ATOM 372 N CYS A 27 6.177 -1.599 -4.082 1.00 0.00 N ATOM 373 CA CYS A 27 6.654 -0.637 -3.124 1.00 0.00 C ATOM 374 C CYS A 27 7.736 0.199 -3.751 1.00 0.00 C ATOM 375 O CYS A 27 7.727 1.423 -3.615 1.00 0.00 O ATOM 376 CB CYS A 27 7.194 -1.313 -1.837 1.00 0.00 C ATOM 377 SG CYS A 27 7.315 -0.190 -0.426 1.00 0.00 S ATOM 0 H CYS A 27 6.337 -2.563 -3.791 1.00 0.00 H new ATOM 0 HA CYS A 27 5.811 -0.009 -2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.542 -2.146 -1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.179 -1.732 -2.043 1.00 0.00 H new ATOM 382 N LYS A 28 8.656 -0.449 -4.506 1.00 0.00 N ATOM 383 CA LYS A 28 9.763 0.224 -5.153 1.00 0.00 C ATOM 384 C LYS A 28 9.294 1.121 -6.266 1.00 0.00 C ATOM 385 O LYS A 28 9.797 2.231 -6.422 1.00 0.00 O ATOM 386 CB LYS A 28 10.797 -0.746 -5.778 1.00 0.00 C ATOM 387 CG LYS A 28 11.745 -1.372 -4.741 1.00 0.00 C ATOM 388 CD LYS A 28 12.651 -2.481 -5.310 1.00 0.00 C ATOM 389 CE LYS A 28 13.554 -2.057 -6.481 1.00 0.00 C ATOM 390 NZ LYS A 28 14.391 -0.889 -6.121 1.00 0.00 N ATOM 0 H LYS A 28 8.634 -1.455 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 28 10.234 0.793 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.268 -1.541 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.386 -0.209 -6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.371 -0.588 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.152 -1.784 -3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.281 -2.860 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.022 -3.308 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.194 -2.891 -6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.939 -1.813 -7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.037 -0.669 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.780 -0.068 -5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.945 -1.108 -5.269 1.00 0.00 H new ATOM 404 N GLU A 29 8.330 0.659 -7.097 1.00 0.00 N ATOM 405 CA GLU A 29 7.921 1.428 -8.259 1.00 0.00 C ATOM 406 C GLU A 29 7.063 2.600 -7.863 1.00 0.00 C ATOM 407 O GLU A 29 6.981 3.582 -8.598 1.00 0.00 O ATOM 408 CB GLU A 29 7.196 0.594 -9.346 1.00 0.00 C ATOM 409 CG GLU A 29 5.853 0.002 -8.893 1.00 0.00 C ATOM 410 CD GLU A 29 5.304 -0.977 -9.926 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.005 -1.981 -10.223 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.167 -0.746 -10.416 1.00 0.00 O ATOM 0 H GLU A 29 7.839 -0.227 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 29 8.850 1.783 -8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.027 1.224 -10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.851 -0.218 -9.662 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.981 -0.507 -7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.134 0.806 -8.732 1.00 0.00 H new ATOM 419 N LYS A 30 6.422 2.543 -6.672 1.00 0.00 N ATOM 420 CA LYS A 30 5.747 3.686 -6.106 1.00 0.00 C ATOM 421 C LYS A 30 6.775 4.571 -5.466 1.00 0.00 C ATOM 422 O LYS A 30 6.935 5.719 -5.876 1.00 0.00 O ATOM 423 CB LYS A 30 4.632 3.299 -5.103 1.00 0.00 C ATOM 424 CG LYS A 30 3.270 3.199 -5.813 1.00 0.00 C ATOM 425 CD LYS A 30 2.619 4.587 -5.998 1.00 0.00 C ATOM 426 CE LYS A 30 1.632 4.703 -7.169 1.00 0.00 C ATOM 427 NZ LYS A 30 2.296 4.384 -8.456 1.00 0.00 N ATOM 0 H LYS A 30 6.370 1.702 -6.098 1.00 0.00 H new ATOM 0 HA LYS A 30 5.237 4.218 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.874 2.345 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.579 4.042 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.401 2.726 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.604 2.559 -5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.097 4.850 -5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.410 5.324 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.793 4.026 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.224 5.713 -7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.751 4.797 -9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.258 4.779 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.345 3.352 -8.575 1.00 0.00 H new ATOM 441 N GLY A 31 7.514 4.056 -4.466 1.00 0.00 N ATOM 442 CA GLY A 31 8.636 4.777 -3.914 1.00 0.00 C ATOM 443 C GLY A 31 8.593 4.697 -2.428 1.00 0.00 C ATOM 444 O GLY A 31 8.700 5.716 -1.745 1.00 0.00 O ATOM 0 H GLY A 31 7.342 3.147 -4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.571 4.356 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.606 5.819 -4.234 1.00 0.00 H new ATOM 448 N GLY A 32 8.440 3.473 -1.882 1.00 0.00 N ATOM 449 CA GLY A 32 8.692 3.197 -0.495 1.00 0.00 C ATOM 450 C GLY A 32 9.974 2.436 -0.510 1.00 0.00 C ATOM 451 O GLY A 32 10.226 1.640 -1.418 1.00 0.00 O ATOM 0 H GLY A 32 8.135 2.658 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.779 4.115 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.886 2.613 -0.050 1.00 0.00 H new ATOM 455 N THR A 33 10.837 2.699 0.488 1.00 0.00 N ATOM 456 CA THR A 33 12.219 2.294 0.480 1.00 0.00 C ATOM 457 C THR A 33 12.406 1.055 1.315 1.00 0.00 C ATOM 458 O THR A 33 13.521 0.569 1.514 1.00 0.00 O ATOM 459 CB THR A 33 13.085 3.421 1.017 1.00 0.00 C ATOM 460 OG1 THR A 33 12.484 4.017 2.167 1.00 0.00 O ATOM 461 CG2 THR A 33 13.205 4.496 -0.085 1.00 0.00 C ATOM 0 H THR A 33 10.570 3.209 1.330 1.00 0.00 H new ATOM 0 HA THR A 33 12.517 2.070 -0.544 1.00 0.00 H new ATOM 0 HB THR A 33 14.061 3.024 1.297 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.058 4.739 2.499 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.823 5.319 0.275 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.664 4.058 -0.972 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.213 4.871 -0.337 1.00 0.00 H new ATOM 469 N SER A 34 11.318 0.499 1.854 1.00 0.00 N ATOM 470 CA SER A 34 11.341 -0.799 2.447 1.00 0.00 C ATOM 471 C SER A 34 9.892 -1.072 2.386 1.00 0.00 C ATOM 472 O SER A 34 9.111 -0.120 2.274 1.00 0.00 O ATOM 473 CB SER A 34 11.818 -0.845 3.913 1.00 0.00 C ATOM 474 OG SER A 34 13.172 -0.425 3.989 1.00 0.00 O ATOM 0 H SER A 34 10.405 0.954 1.881 1.00 0.00 H new ATOM 0 HA SER A 34 12.026 -1.490 1.956 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.192 -0.200 4.530 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.718 -1.857 4.306 1.00 0.00 H new ATOM 0 HG SER A 34 13.495 -0.198 3.092 1.00 0.00 H new ATOM 480 N GLY A 35 9.498 -2.352 2.437 1.00 0.00 N ATOM 481 CA GLY A 35 8.133 -2.705 2.320 1.00 0.00 C ATOM 482 C GLY A 35 8.219 -4.130 2.666 1.00 0.00 C ATOM 483 O GLY A 35 9.324 -4.675 2.691 1.00 0.00 O ATOM 0 H GLY A 35 10.132 -3.142 2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.496 -2.146 3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.743 -2.541 1.316 1.00 0.00 H new ATOM 487 N HIS A 36 7.073 -4.755 2.970 1.00 0.00 N ATOM 488 CA HIS A 36 7.022 -6.115 3.409 1.00 0.00 C ATOM 489 C HIS A 36 5.637 -6.469 2.997 1.00 0.00 C ATOM 490 O HIS A 36 4.795 -5.578 2.898 1.00 0.00 O ATOM 491 CB HIS A 36 7.156 -6.301 4.940 1.00 0.00 C ATOM 492 CG HIS A 36 8.423 -5.699 5.498 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.452 -4.484 6.134 1.00 0.00 N ATOM 494 CD2 HIS A 36 9.699 -6.145 5.438 1.00 0.00 C ATOM 495 CE1 HIS A 36 9.711 -4.207 6.450 1.00 0.00 C ATOM 496 NE2 HIS A 36 10.488 -5.197 6.034 1.00 0.00 N ATOM 0 H HIS A 36 6.158 -4.307 2.910 1.00 0.00 H new ATOM 0 HA HIS A 36 7.837 -6.713 3.001 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.297 -5.846 5.432 1.00 0.00 H new ATOM 0 HB3 HIS A 36 7.132 -7.365 5.175 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.033 -7.075 5.002 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.048 -3.318 6.963 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.501 -5.245 6.140 1.00 0.00 H new ATOM 505 N CYS A 37 5.350 -7.755 2.719 1.00 0.00 N ATOM 506 CA CYS A 37 4.060 -8.174 2.217 1.00 0.00 C ATOM 507 C CYS A 37 3.190 -8.364 3.430 1.00 0.00 C ATOM 508 O CYS A 37 3.716 -8.626 4.514 1.00 0.00 O ATOM 509 CB CYS A 37 4.211 -9.502 1.430 1.00 0.00 C ATOM 510 SG CYS A 37 2.732 -10.154 0.586 1.00 0.00 S ATOM 0 H CYS A 37 6.015 -8.519 2.841 1.00 0.00 H new ATOM 0 HA CYS A 37 3.626 -7.443 1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.991 -9.362 0.682 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.567 -10.265 2.123 1.00 0.00 H new ATOM 515 N GLY A 38 1.852 -8.230 3.310 1.00 0.00 N ATOM 516 CA GLY A 38 1.043 -8.428 4.469 1.00 0.00 C ATOM 517 C GLY A 38 -0.354 -8.346 3.982 1.00 0.00 C ATOM 518 O GLY A 38 -0.599 -8.196 2.782 1.00 0.00 O ATOM 0 H GLY A 38 1.353 -7.996 2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.244 -9.395 4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.243 -7.668 5.224 1.00 0.00 H new ATOM 522 N PHE A 39 -1.303 -8.446 4.932 1.00 0.00 N ATOM 523 CA PHE A 39 -2.714 -8.415 4.698 1.00 0.00 C ATOM 524 C PHE A 39 -3.075 -7.219 5.518 1.00 0.00 C ATOM 525 O PHE A 39 -2.461 -7.010 6.571 1.00 0.00 O ATOM 526 CB PHE A 39 -3.412 -9.681 5.266 1.00 0.00 C ATOM 527 CG PHE A 39 -4.723 -9.999 4.599 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.934 -9.503 5.111 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.764 -10.884 3.506 1.00 0.00 C ATOM 530 CE1 PHE A 39 -7.160 -9.910 4.568 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.987 -11.284 2.952 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.187 -10.799 3.487 1.00 0.00 C ATOM 0 H PHE A 39 -1.071 -8.555 5.919 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.002 -8.380 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.742 -10.534 5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.582 -9.543 6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.920 -8.801 5.931 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.841 -11.260 3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.085 -9.538 4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.004 -11.965 2.114 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.132 -11.110 3.066 1.00 0.00 H new ATOM 542 N LYS A 40 -4.031 -6.402 5.036 1.00 0.00 N ATOM 543 CA LYS A 40 -4.549 -5.274 5.759 1.00 0.00 C ATOM 544 C LYS A 40 -5.989 -5.636 5.880 1.00 0.00 C ATOM 545 O LYS A 40 -6.743 -5.538 4.914 1.00 0.00 O ATOM 546 CB LYS A 40 -4.422 -3.923 5.002 1.00 0.00 C ATOM 547 CG LYS A 40 -5.194 -2.733 5.614 1.00 0.00 C ATOM 548 CD LYS A 40 -4.913 -2.486 7.107 1.00 0.00 C ATOM 549 CE LYS A 40 -5.635 -1.262 7.693 1.00 0.00 C ATOM 550 NZ LYS A 40 -7.107 -1.380 7.555 1.00 0.00 N ATOM 0 H LYS A 40 -4.457 -6.527 4.118 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.011 -5.111 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.366 -3.657 4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.768 -4.068 3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.945 -1.830 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.262 -2.904 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.207 -3.371 7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.839 -2.361 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.375 -1.155 8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.292 -0.360 7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.571 -0.807 8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.396 -1.040 6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.387 -2.376 7.664 1.00 0.00 H new ATOM 564 N VAL A 41 -6.416 -6.084 7.078 1.00 0.00 N ATOM 565 CA VAL A 41 -7.777 -6.496 7.305 1.00 0.00 C ATOM 566 C VAL A 41 -8.592 -5.228 7.335 1.00 0.00 C ATOM 567 O VAL A 41 -8.139 -4.217 7.871 1.00 0.00 O ATOM 568 CB VAL A 41 -7.986 -7.302 8.583 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.239 -8.189 8.417 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.733 -8.152 8.890 1.00 0.00 C ATOM 0 H VAL A 41 -5.815 -6.162 7.898 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.081 -7.176 6.509 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.140 -6.629 9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.397 -8.769 9.326 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.109 -7.559 8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.097 -8.866 7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.895 -8.722 9.805 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.547 -8.837 8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.872 -7.497 9.019 1.00 0.00 H new ATOM 580 N GLY A 42 -9.766 -5.240 6.677 1.00 0.00 N ATOM 581 CA GLY A 42 -10.518 -4.036 6.425 1.00 0.00 C ATOM 582 C GLY A 42 -10.497 -3.833 4.948 1.00 0.00 C ATOM 583 O GLY A 42 -11.383 -3.194 4.388 1.00 0.00 O ATOM 0 H GLY A 42 -10.202 -6.088 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.541 -4.132 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.074 -3.185 6.941 1.00 0.00 H new ATOM 587 N HIS A 43 -9.469 -4.384 4.267 1.00 0.00 N ATOM 588 CA HIS A 43 -9.394 -4.359 2.835 1.00 0.00 C ATOM 589 C HIS A 43 -9.162 -5.778 2.409 1.00 0.00 C ATOM 590 O HIS A 43 -10.102 -6.472 2.025 1.00 0.00 O ATOM 591 CB HIS A 43 -8.265 -3.449 2.311 1.00 0.00 C ATOM 592 CG HIS A 43 -8.615 -1.982 2.307 1.00 0.00 C ATOM 593 ND1 HIS A 43 -8.377 -1.018 3.228 1.00 0.00 N flip ATOM 594 CD2 HIS A 43 -9.246 -1.381 1.249 1.00 0.00 C flip ATOM 595 CE1 HIS A 43 -8.858 0.158 2.712 1.00 0.00 C flip ATOM 596 NE2 HIS A 43 -9.373 -0.087 1.515 1.00 0.00 N flip ATOM 0 H HIS A 43 -8.682 -4.852 4.716 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.315 -3.947 2.422 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.377 -3.599 2.924 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.007 -3.754 1.297 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.583 -1.877 0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.823 1.121 3.199 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.798 0.606 0.899 1.00 0.00 H new ATOM 605 N GLY A 44 -7.908 -6.267 2.466 1.00 0.00 N ATOM 606 CA GLY A 44 -7.591 -7.546 1.913 1.00 0.00 C ATOM 607 C GLY A 44 -6.103 -7.607 1.900 1.00 0.00 C ATOM 608 O GLY A 44 -5.436 -6.958 2.707 1.00 0.00 O ATOM 0 H GLY A 44 -7.120 -5.779 2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.013 -8.351 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.998 -7.652 0.908 1.00 0.00 H new ATOM 612 N LEU A 45 -5.548 -8.382 0.942 1.00 0.00 N ATOM 613 CA LEU A 45 -4.135 -8.580 0.703 1.00 0.00 C ATOM 614 C LEU A 45 -3.576 -7.252 0.264 1.00 0.00 C ATOM 615 O LEU A 45 -4.134 -6.639 -0.646 1.00 0.00 O ATOM 616 CB LEU A 45 -3.949 -9.627 -0.432 1.00 0.00 C ATOM 617 CG LEU A 45 -2.506 -9.996 -0.852 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.736 -10.768 0.236 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.525 -10.805 -2.165 1.00 0.00 C ATOM 0 H LEU A 45 -6.124 -8.909 0.286 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.627 -8.941 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.452 -10.544 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.470 -9.257 -1.315 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.975 -9.056 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.732 -10.996 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.671 -10.158 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.260 -11.696 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.504 -11.059 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.100 -11.720 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.985 -10.209 -2.953 1.00 0.00 H new ATOM 631 N ALA A 46 -2.512 -6.745 0.932 1.00 0.00 N ATOM 632 CA ALA A 46 -2.104 -5.374 0.766 1.00 0.00 C ATOM 633 C ALA A 46 -0.625 -5.420 0.597 1.00 0.00 C ATOM 634 O ALA A 46 -0.070 -6.507 0.432 1.00 0.00 O ATOM 635 CB ALA A 46 -2.456 -4.484 1.974 1.00 0.00 C ATOM 0 H ALA A 46 -1.938 -7.281 1.583 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.625 -4.935 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.121 -3.464 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.535 -4.489 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.961 -4.868 2.866 1.00 0.00 H new ATOM 641 N CYS A 47 0.076 -4.261 0.665 1.00 0.00 N ATOM 642 CA CYS A 47 1.522 -4.329 0.666 1.00 0.00 C ATOM 643 C CYS A 47 1.836 -3.332 1.727 1.00 0.00 C ATOM 644 O CYS A 47 1.049 -2.411 1.916 1.00 0.00 O ATOM 645 CB CYS A 47 2.088 -4.011 -0.751 1.00 0.00 C ATOM 646 SG CYS A 47 3.819 -3.487 -0.939 1.00 0.00 S ATOM 0 H CYS A 47 -0.327 -3.325 0.717 1.00 0.00 H new ATOM 0 HA CYS A 47 1.970 -5.300 0.874 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.950 -4.902 -1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.463 -3.229 -1.182 1.00 0.00 H new ATOM 651 N TRP A 48 2.930 -3.496 2.504 1.00 0.00 N ATOM 652 CA TRP A 48 3.330 -2.547 3.524 1.00 0.00 C ATOM 653 C TRP A 48 4.468 -1.798 2.900 1.00 0.00 C ATOM 654 O TRP A 48 5.196 -2.389 2.107 1.00 0.00 O ATOM 655 CB TRP A 48 3.773 -3.219 4.864 1.00 0.00 C ATOM 656 CG TRP A 48 4.355 -2.286 5.914 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.631 -1.797 5.989 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.614 -1.648 6.969 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.717 -0.848 6.971 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.494 -0.739 7.596 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.297 -1.779 7.386 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.063 0.061 8.650 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.865 -0.988 8.461 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.734 -0.078 9.082 1.00 0.00 C ATOM 0 H TRP A 48 3.552 -4.300 2.427 1.00 0.00 H new ATOM 0 HA TRP A 48 2.494 -1.909 3.811 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.911 -3.727 5.295 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.514 -3.985 4.636 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.452 -2.114 5.363 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.551 -0.309 7.203 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.625 -2.469 6.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.730 0.767 9.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.849 -1.081 8.816 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.376 0.524 9.904 1.00 0.00 H new ATOM 675 N CYS A 49 4.663 -0.498 3.242 1.00 0.00 N ATOM 676 CA CYS A 49 5.786 0.264 2.748 1.00 0.00 C ATOM 677 C CYS A 49 6.192 1.185 3.857 1.00 0.00 C ATOM 678 O CYS A 49 5.349 1.625 4.638 1.00 0.00 O ATOM 679 CB CYS A 49 5.484 1.155 1.520 1.00 0.00 C ATOM 680 SG CYS A 49 5.372 0.223 -0.028 1.00 0.00 S ATOM 0 H CYS A 49 4.043 0.024 3.861 1.00 0.00 H new ATOM 0 HA CYS A 49 6.545 -0.453 2.436 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.546 1.685 1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.265 1.910 1.426 1.00 0.00 H new ATOM 685 N ASN A 50 7.502 1.512 3.929 1.00 0.00 N ATOM 686 CA ASN A 50 8.029 2.505 4.838 1.00 0.00 C ATOM 687 C ASN A 50 8.522 3.616 3.968 1.00 0.00 C ATOM 688 O ASN A 50 9.105 3.361 2.912 1.00 0.00 O ATOM 689 CB ASN A 50 9.273 2.078 5.675 1.00 0.00 C ATOM 690 CG ASN A 50 8.870 1.393 6.984 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.815 0.762 7.091 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.740 1.520 8.028 1.00 0.00 N ATOM 0 H ASN A 50 8.215 1.078 3.343 1.00 0.00 H new ATOM 0 HA ASN A 50 7.230 2.733 5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.892 1.401 5.086 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.881 2.955 5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.525 1.087 8.926 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.605 2.048 7.910 1.00 0.00 H new ATOM 699 N ALA A 51 8.328 4.866 4.458 1.00 0.00 N ATOM 700 CA ALA A 51 8.829 6.115 3.932 1.00 0.00 C ATOM 701 C ALA A 51 8.287 6.379 2.565 1.00 0.00 C ATOM 702 O ALA A 51 9.030 6.579 1.607 1.00 0.00 O ATOM 703 CB ALA A 51 10.360 6.281 3.973 1.00 0.00 C ATOM 0 H ALA A 51 7.770 5.014 5.299 1.00 0.00 H new ATOM 0 HA ALA A 51 8.457 6.875 4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.632 7.251 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.705 6.220 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.828 5.490 3.387 1.00 0.00 H new ATOM 709 N LEU A 52 6.941 6.405 2.468 1.00 0.00 N ATOM 710 CA LEU A 52 6.268 6.768 1.248 1.00 0.00 C ATOM 711 C LEU A 52 6.083 8.254 1.337 1.00 0.00 C ATOM 712 O LEU A 52 5.727 8.717 2.422 1.00 0.00 O ATOM 713 CB LEU A 52 4.865 6.145 1.073 1.00 0.00 C ATOM 714 CG LEU A 52 4.910 4.715 0.494 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.568 4.002 0.673 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.286 4.699 -0.999 1.00 0.00 C ATOM 0 H LEU A 52 6.314 6.174 3.238 1.00 0.00 H new ATOM 0 HA LEU A 52 6.865 6.413 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.359 6.125 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.271 6.779 0.415 1.00 0.00 H new ATOM 0 HG LEU A 52 5.684 4.189 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.631 2.997 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.328 3.939 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.787 4.561 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.304 3.670 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.550 5.269 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.271 5.147 -1.131 1.00 0.00 H new ATOM 728 N PRO A 53 6.302 9.043 0.291 1.00 0.00 N ATOM 729 CA PRO A 53 6.117 10.479 0.359 1.00 0.00 C ATOM 730 C PRO A 53 4.674 10.881 0.497 1.00 0.00 C ATOM 731 O PRO A 53 3.774 10.052 0.370 1.00 0.00 O ATOM 732 CB PRO A 53 6.652 10.985 -0.985 1.00 0.00 C ATOM 733 CG PRO A 53 7.739 9.980 -1.351 1.00 0.00 C ATOM 734 CD PRO A 53 7.133 8.667 -0.858 1.00 0.00 C ATOM 0 HA PRO A 53 6.623 10.892 1.232 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.867 11.017 -1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.054 11.995 -0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.935 9.962 -2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.685 10.204 -0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.538 8.190 -1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.909 7.958 -0.569 1.00 0.00 H new ATOM 742 N ASP A 54 4.441 12.181 0.735 1.00 0.00 N ATOM 743 CA ASP A 54 3.139 12.707 1.060 1.00 0.00 C ATOM 744 C ASP A 54 2.249 12.806 -0.147 1.00 0.00 C ATOM 745 O ASP A 54 1.043 13.000 -0.022 1.00 0.00 O ATOM 746 CB ASP A 54 3.248 14.123 1.657 1.00 0.00 C ATOM 747 CG ASP A 54 4.071 14.073 2.947 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.589 13.466 3.940 1.00 0.00 O ATOM 749 OD2 ASP A 54 5.202 14.629 2.945 1.00 0.00 O ATOM 0 H ASP A 54 5.172 12.892 0.703 1.00 0.00 H new ATOM 0 HA ASP A 54 2.710 12.010 1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.718 14.796 0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.254 14.520 1.863 1.00 0.00 H new ATOM 754 N ASN A 55 2.826 12.672 -1.356 1.00 0.00 N ATOM 755 CA ASN A 55 2.104 12.707 -2.607 1.00 0.00 C ATOM 756 C ASN A 55 1.691 11.314 -3.016 1.00 0.00 C ATOM 757 O ASN A 55 1.282 11.105 -4.157 1.00 0.00 O ATOM 758 CB ASN A 55 2.928 13.347 -3.763 1.00 0.00 C ATOM 759 CG ASN A 55 4.283 12.645 -3.945 1.00 0.00 C ATOM 760 OD1 ASN A 55 5.164 12.806 -3.092 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.438 11.850 -5.038 1.00 0.00 N ATOM 0 H ASN A 55 3.830 12.534 -1.475 1.00 0.00 H new ATOM 0 HA ASN A 55 1.226 13.330 -2.436 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.360 13.289 -4.691 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.090 14.404 -3.554 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.315 11.350 -5.185 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.677 11.753 -5.710 1.00 0.00 H new ATOM 768 N VAL A 56 1.782 10.329 -2.096 1.00 0.00 N ATOM 769 CA VAL A 56 1.267 9.002 -2.295 1.00 0.00 C ATOM 770 C VAL A 56 0.017 9.033 -1.448 1.00 0.00 C ATOM 771 O VAL A 56 -0.125 9.894 -0.581 1.00 0.00 O ATOM 772 CB VAL A 56 2.262 7.900 -1.898 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.842 6.552 -2.524 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.674 8.317 -2.376 1.00 0.00 C ATOM 0 H VAL A 56 2.227 10.459 -1.187 1.00 0.00 H new ATOM 0 HA VAL A 56 1.073 8.755 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 56 2.270 7.773 -0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.555 5.779 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.848 6.280 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.827 6.644 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.393 7.545 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.670 8.441 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.955 9.259 -1.904 1.00 0.00 H new ATOM 784 N GLY A 57 -0.937 8.115 -1.677 1.00 0.00 N ATOM 785 CA GLY A 57 -2.156 8.016 -0.932 1.00 0.00 C ATOM 786 C GLY A 57 -2.178 6.540 -0.818 1.00 0.00 C ATOM 787 O GLY A 57 -1.585 5.882 -1.676 1.00 0.00 O ATOM 0 H GLY A 57 -0.858 7.412 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.112 8.521 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.018 8.419 -1.463 1.00 0.00 H new ATOM 791 N ILE A 58 -2.775 6.019 0.270 1.00 0.00 N ATOM 792 CA ILE A 58 -2.540 4.708 0.802 1.00 0.00 C ATOM 793 C ILE A 58 -3.810 4.459 1.562 1.00 0.00 C ATOM 794 O ILE A 58 -4.824 5.071 1.229 1.00 0.00 O ATOM 795 CB ILE A 58 -1.319 4.655 1.731 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.366 5.667 2.906 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.040 4.868 0.895 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.165 5.532 3.846 1.00 0.00 C ATOM 0 H ILE A 58 -3.463 6.543 0.811 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.317 3.968 0.034 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.323 3.669 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.398 6.681 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.285 5.518 3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.832 4.832 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.038 4.083 0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.085 5.840 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.248 6.263 4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.146 4.528 4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.755 5.709 3.289 1.00 0.00 H new ATOM 810 N ILE A 59 -3.787 3.567 2.592 1.00 0.00 N ATOM 811 CA ILE A 59 -4.950 3.200 3.368 1.00 0.00 C ATOM 812 C ILE A 59 -5.474 4.412 4.096 1.00 0.00 C ATOM 813 O ILE A 59 -4.720 5.214 4.646 1.00 0.00 O ATOM 814 CB ILE A 59 -4.776 2.091 4.415 1.00 0.00 C ATOM 815 CG1 ILE A 59 -3.770 0.986 4.055 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.151 1.461 4.727 1.00 0.00 C ATOM 817 CD1 ILE A 59 -3.962 0.269 2.727 1.00 0.00 C ATOM 0 H ILE A 59 -2.936 3.090 2.890 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.632 2.799 2.618 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.349 2.585 5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.772 1.425 4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.793 0.238 4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.030 0.673 5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.822 2.227 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.573 1.038 3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.183 -0.483 2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.939 -0.214 2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.902 0.990 1.912 1.00 0.00 H new ATOM 829 N VAL A 60 -6.804 4.539 4.082 1.00 0.00 N ATOM 830 CA VAL A 60 -7.585 5.578 4.652 1.00 0.00 C ATOM 831 C VAL A 60 -8.791 4.733 4.950 1.00 0.00 C ATOM 832 O VAL A 60 -8.851 3.597 4.472 1.00 0.00 O ATOM 833 CB VAL A 60 -7.730 6.718 3.636 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.108 6.817 2.954 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.165 8.022 4.237 1.00 0.00 C ATOM 0 H VAL A 60 -7.390 3.841 3.624 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.236 6.133 5.523 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.113 6.482 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.109 7.653 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.314 5.893 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.877 6.975 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.269 8.831 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.715 8.273 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.111 7.884 4.479 1.00 0.00 H new