USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 451 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 37 CYS SG : rot -100:sc= -1.02 USER MOD Set 1.2: A 39 HIS : no HD1:sc= -2.84! X(o=-4.6!,f=-4.8) USER MOD Set 1.3: A 62 CYS SG : rot 153:sc= -0.774 USER MOD Set 1.4: A 65 CYS SG : rot -40:sc=-0.00818 USER MOD Set 2.1: A 22 CYS SG : rot 70:sc= 1.5 USER MOD Set 2.2: A 25 CYS SG : rot -68:sc= -0.628 USER MOD Set 2.3: A 42 CYS SG : rot 76:sc= 0.792 USER MOD Set 2.4: A 45 CYS SG : rot 131:sc= -0.671 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 18:sc= 0.201 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 19:sc= 1.03 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= -0.0105 (180deg=-1.23!) USER MOD Single : A 21 THR OG1 : rot 122:sc= 0.593 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.336 K(o=-0.34,f=-1.7) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 49 ASN : amide:sc= -0.699 K(o=-0.7,f=-0.013) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.7!) USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0406) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 28.574 4.480 -6.783 1.00 0.00 N ATOM 31 CA GLY A 4 28.660 3.209 -7.479 1.00 0.00 C ATOM 32 C GLY A 4 27.317 2.514 -7.585 1.00 0.00 C ATOM 33 O GLY A 4 26.357 2.899 -6.917 1.00 0.00 O ATOM 0 HA2 GLY A 4 29.061 3.372 -8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.362 2.559 -6.957 1.00 0.00 H new ATOM 37 N SER A 5 27.247 1.489 -8.427 1.00 0.00 N ATOM 38 CA SER A 5 26.010 0.742 -8.623 1.00 0.00 C ATOM 39 C SER A 5 26.244 -0.473 -9.516 1.00 0.00 C ATOM 40 O SER A 5 27.126 -0.466 -10.374 1.00 0.00 O ATOM 41 CB SER A 5 24.938 1.643 -9.238 1.00 0.00 C ATOM 42 OG SER A 5 23.668 1.014 -9.216 1.00 0.00 O ATOM 0 H SER A 5 28.033 1.156 -8.985 1.00 0.00 H new ATOM 0 HA SER A 5 25.667 0.394 -7.649 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.891 2.584 -8.689 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.209 1.886 -10.265 1.00 0.00 H new ATOM 0 HG SER A 5 23.000 1.611 -9.613 1.00 0.00 H new ATOM 48 N SER A 6 25.446 -1.515 -9.307 1.00 0.00 N ATOM 49 CA SER A 6 25.567 -2.739 -10.090 1.00 0.00 C ATOM 50 C SER A 6 24.208 -3.412 -10.259 1.00 0.00 C ATOM 51 O SER A 6 23.227 -3.024 -9.626 1.00 0.00 O ATOM 52 CB SER A 6 26.547 -3.704 -9.419 1.00 0.00 C ATOM 53 OG SER A 6 27.888 -3.356 -9.715 1.00 0.00 O ATOM 0 H SER A 6 24.709 -1.536 -8.602 1.00 0.00 H new ATOM 0 HA SER A 6 25.947 -2.474 -11.077 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.394 -3.691 -8.340 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.349 -4.721 -9.756 1.00 0.00 H new ATOM 0 HG SER A 6 27.922 -2.431 -10.037 1.00 0.00 H new ATOM 59 N GLY A 7 24.159 -4.425 -11.119 1.00 0.00 N ATOM 60 CA GLY A 7 22.917 -5.137 -11.358 1.00 0.00 C ATOM 61 C GLY A 7 23.127 -6.630 -11.518 1.00 0.00 C ATOM 62 O GLY A 7 24.239 -7.129 -11.352 1.00 0.00 O ATOM 0 H GLY A 7 24.958 -4.765 -11.655 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.233 -4.956 -10.529 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.442 -4.742 -12.256 1.00 0.00 H new ATOM 66 N MET A 8 22.054 -7.345 -11.841 1.00 0.00 N ATOM 67 CA MET A 8 22.125 -8.790 -12.023 1.00 0.00 C ATOM 68 C MET A 8 21.157 -9.249 -13.109 1.00 0.00 C ATOM 69 O MET A 8 20.227 -8.529 -13.469 1.00 0.00 O ATOM 70 CB MET A 8 21.813 -9.507 -10.709 1.00 0.00 C ATOM 71 CG MET A 8 20.372 -9.345 -10.255 1.00 0.00 C ATOM 72 SD MET A 8 20.153 -9.692 -8.499 1.00 0.00 S ATOM 73 CE MET A 8 18.702 -10.741 -8.539 1.00 0.00 C ATOM 0 H MET A 8 21.125 -6.947 -11.982 1.00 0.00 H new ATOM 0 HA MET A 8 23.139 -9.043 -12.334 1.00 0.00 H new ATOM 0 HB2 MET A 8 22.032 -10.569 -10.823 1.00 0.00 H new ATOM 0 HB3 MET A 8 22.475 -9.127 -9.931 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.042 -8.328 -10.464 1.00 0.00 H new ATOM 0 HG3 MET A 8 19.735 -10.013 -10.835 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.441 -11.039 -7.524 1.00 0.00 H new ATOM 0 HE2 MET A 8 17.870 -10.194 -8.982 1.00 0.00 H new ATOM 0 HE3 MET A 8 18.911 -11.629 -9.136 1.00 0.00 H new ATOM 83 N ALA A 9 21.383 -10.452 -13.627 1.00 0.00 N ATOM 84 CA ALA A 9 20.530 -11.007 -14.670 1.00 0.00 C ATOM 85 C ALA A 9 19.961 -12.359 -14.252 1.00 0.00 C ATOM 86 O ALA A 9 20.561 -13.074 -13.449 1.00 0.00 O ATOM 87 CB ALA A 9 21.306 -11.139 -15.972 1.00 0.00 C ATOM 0 H ALA A 9 22.150 -11.061 -13.341 1.00 0.00 H new ATOM 0 HA ALA A 9 19.696 -10.323 -14.825 1.00 0.00 H new ATOM 0 HB1 ALA A 9 20.656 -11.555 -16.742 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.659 -10.157 -16.286 1.00 0.00 H new ATOM 0 HB3 ALA A 9 22.159 -11.800 -15.821 1.00 0.00 H new ATOM 93 N SER A 10 18.801 -12.704 -14.802 1.00 0.00 N ATOM 94 CA SER A 10 18.149 -13.968 -14.483 1.00 0.00 C ATOM 95 C SER A 10 17.249 -14.420 -15.628 1.00 0.00 C ATOM 96 O SER A 10 16.640 -13.599 -16.315 1.00 0.00 O ATOM 97 CB SER A 10 17.330 -13.834 -13.198 1.00 0.00 C ATOM 98 OG SER A 10 17.089 -15.101 -12.612 1.00 0.00 O ATOM 0 H SER A 10 18.293 -12.125 -15.471 1.00 0.00 H new ATOM 0 HA SER A 10 18.924 -14.720 -14.335 1.00 0.00 H new ATOM 0 HB2 SER A 10 17.860 -13.197 -12.490 1.00 0.00 H new ATOM 0 HB3 SER A 10 16.381 -13.345 -13.417 1.00 0.00 H new ATOM 0 HG SER A 10 16.565 -14.988 -11.791 1.00 0.00 H new ATOM 104 N SER A 11 17.170 -15.731 -15.829 1.00 0.00 N ATOM 105 CA SER A 11 16.347 -16.294 -16.893 1.00 0.00 C ATOM 106 C SER A 11 16.048 -17.766 -16.629 1.00 0.00 C ATOM 107 O SER A 11 16.851 -18.475 -16.022 1.00 0.00 O ATOM 108 CB SER A 11 17.048 -16.138 -18.244 1.00 0.00 C ATOM 109 OG SER A 11 16.948 -14.807 -18.721 1.00 0.00 O ATOM 0 H SER A 11 17.666 -16.424 -15.269 1.00 0.00 H new ATOM 0 HA SER A 11 15.403 -15.749 -16.916 1.00 0.00 H new ATOM 0 HB2 SER A 11 18.098 -16.415 -18.146 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.604 -16.821 -18.968 1.00 0.00 H new ATOM 0 HG SER A 11 16.731 -14.208 -17.976 1.00 0.00 H new ATOM 115 N VAL A 12 14.887 -18.220 -17.089 1.00 0.00 N ATOM 116 CA VAL A 12 14.481 -19.608 -16.904 1.00 0.00 C ATOM 117 C VAL A 12 13.195 -19.911 -17.665 1.00 0.00 C ATOM 118 O VAL A 12 12.288 -19.079 -17.730 1.00 0.00 O ATOM 119 CB VAL A 12 14.273 -19.938 -15.414 1.00 0.00 C ATOM 120 CG1 VAL A 12 13.192 -19.050 -14.816 1.00 0.00 C ATOM 121 CG2 VAL A 12 13.924 -21.408 -15.238 1.00 0.00 C ATOM 0 H VAL A 12 14.210 -17.647 -17.593 1.00 0.00 H new ATOM 0 HA VAL A 12 15.287 -20.228 -17.297 1.00 0.00 H new ATOM 0 HB VAL A 12 15.205 -19.743 -14.883 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.059 -19.298 -13.763 1.00 0.00 H new ATOM 0 HG12 VAL A 12 13.487 -18.005 -14.909 1.00 0.00 H new ATOM 0 HG13 VAL A 12 12.254 -19.210 -15.348 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.780 -21.624 -14.179 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.006 -21.632 -15.782 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.735 -22.024 -15.627 1.00 0.00 H new ATOM 131 N LEU A 13 13.121 -21.106 -18.240 1.00 0.00 N ATOM 132 CA LEU A 13 11.945 -21.520 -18.997 1.00 0.00 C ATOM 133 C LEU A 13 10.683 -21.403 -18.149 1.00 0.00 C ATOM 134 O LEU A 13 10.611 -21.949 -17.048 1.00 0.00 O ATOM 135 CB LEU A 13 12.111 -22.959 -19.488 1.00 0.00 C ATOM 136 CG LEU A 13 12.308 -24.020 -18.405 1.00 0.00 C ATOM 137 CD1 LEU A 13 11.735 -25.355 -18.855 1.00 0.00 C ATOM 138 CD2 LEU A 13 13.783 -24.161 -18.058 1.00 0.00 C ATOM 0 H LEU A 13 13.862 -21.806 -18.196 1.00 0.00 H new ATOM 0 HA LEU A 13 11.845 -20.858 -19.857 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.231 -23.226 -20.074 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.966 -22.995 -20.163 1.00 0.00 H new ATOM 0 HG LEU A 13 11.774 -23.701 -17.510 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.884 -26.098 -18.071 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.669 -25.245 -19.052 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.241 -25.680 -19.764 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.904 -24.920 -17.286 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.339 -24.456 -18.948 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.163 -23.207 -17.692 1.00 0.00 H new ATOM 150 N GLU A 14 9.690 -20.689 -18.670 1.00 0.00 N ATOM 151 CA GLU A 14 8.430 -20.502 -17.960 1.00 0.00 C ATOM 152 C GLU A 14 7.276 -20.312 -18.940 1.00 0.00 C ATOM 153 O GLU A 14 7.454 -19.756 -20.024 1.00 0.00 O ATOM 154 CB GLU A 14 8.521 -19.297 -17.022 1.00 0.00 C ATOM 155 CG GLU A 14 9.204 -19.604 -15.700 1.00 0.00 C ATOM 156 CD GLU A 14 8.342 -20.448 -14.781 1.00 0.00 C ATOM 157 OE1 GLU A 14 7.540 -21.255 -15.294 1.00 0.00 O ATOM 158 OE2 GLU A 14 8.471 -20.301 -13.547 1.00 0.00 O ATOM 0 H GLU A 14 9.734 -20.231 -19.580 1.00 0.00 H new ATOM 0 HA GLU A 14 8.239 -21.398 -17.370 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.064 -18.497 -17.524 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.516 -18.925 -16.824 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.142 -20.125 -15.892 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.455 -18.669 -15.199 1.00 0.00 H new ATOM 165 N MET A 15 6.094 -20.778 -18.552 1.00 0.00 N ATOM 166 CA MET A 15 4.911 -20.659 -19.396 1.00 0.00 C ATOM 167 C MET A 15 4.787 -19.247 -19.961 1.00 0.00 C ATOM 168 O MET A 15 4.955 -18.263 -19.241 1.00 0.00 O ATOM 169 CB MET A 15 3.653 -21.014 -18.601 1.00 0.00 C ATOM 170 CG MET A 15 3.679 -22.418 -18.018 1.00 0.00 C ATOM 171 SD MET A 15 2.530 -22.621 -16.644 1.00 0.00 S ATOM 172 CE MET A 15 3.669 -22.810 -15.275 1.00 0.00 C ATOM 0 H MET A 15 5.930 -21.242 -17.658 1.00 0.00 H new ATOM 0 HA MET A 15 5.016 -21.357 -20.227 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.530 -20.295 -17.791 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.783 -20.915 -19.250 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.434 -23.137 -18.800 1.00 0.00 H new ATOM 0 HG3 MET A 15 4.689 -22.648 -17.679 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.108 -22.945 -14.351 1.00 0.00 H new ATOM 0 HE2 MET A 15 4.302 -23.681 -15.446 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.292 -21.919 -15.194 1.00 0.00 H new ATOM 182 N ILE A 16 4.492 -19.156 -21.254 1.00 0.00 N ATOM 183 CA ILE A 16 4.345 -17.865 -21.914 1.00 0.00 C ATOM 184 C ILE A 16 3.046 -17.181 -21.501 1.00 0.00 C ATOM 185 O ILE A 16 1.964 -17.550 -21.960 1.00 0.00 O ATOM 186 CB ILE A 16 4.370 -18.011 -23.447 1.00 0.00 C ATOM 187 CG1 ILE A 16 5.655 -18.713 -23.893 1.00 0.00 C ATOM 188 CG2 ILE A 16 4.248 -16.648 -24.111 1.00 0.00 C ATOM 189 CD1 ILE A 16 6.900 -17.879 -23.693 1.00 0.00 C ATOM 0 H ILE A 16 4.350 -19.961 -21.865 1.00 0.00 H new ATOM 0 HA ILE A 16 5.191 -17.252 -21.601 1.00 0.00 H new ATOM 0 HB ILE A 16 3.520 -18.620 -23.753 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.760 -19.646 -23.340 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.569 -18.975 -24.947 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.267 -16.768 -25.194 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.309 -16.181 -23.814 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.081 -16.016 -23.801 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.772 -18.440 -24.031 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.816 -16.957 -24.268 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.011 -17.638 -22.636 1.00 0.00 H new ATOM 201 N LYS A 17 3.160 -16.182 -20.634 1.00 0.00 N ATOM 202 CA LYS A 17 1.996 -15.442 -20.160 1.00 0.00 C ATOM 203 C LYS A 17 2.234 -13.938 -20.249 1.00 0.00 C ATOM 204 O LYS A 17 2.972 -13.369 -19.445 1.00 0.00 O ATOM 205 CB LYS A 17 1.670 -15.833 -18.717 1.00 0.00 C ATOM 206 CG LYS A 17 1.314 -17.301 -18.551 1.00 0.00 C ATOM 207 CD LYS A 17 0.062 -17.663 -19.332 1.00 0.00 C ATOM 208 CE LYS A 17 -0.384 -19.087 -19.041 1.00 0.00 C ATOM 209 NZ LYS A 17 0.318 -20.076 -19.905 1.00 0.00 N ATOM 0 H LYS A 17 4.048 -15.865 -20.244 1.00 0.00 H new ATOM 0 HA LYS A 17 1.150 -15.697 -20.799 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.527 -15.602 -18.084 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.838 -15.224 -18.363 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.146 -17.919 -18.889 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.162 -17.522 -17.495 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.740 -16.970 -19.077 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.253 -17.551 -20.399 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.193 -19.320 -17.993 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.460 -19.169 -19.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.452 -20.963 -19.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.252 -20.260 -20.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.245 -19.696 -20.185 1.00 0.00 H new ATOM 269 N THR A 21 0.799 -11.242 -16.156 1.00 0.00 N ATOM 270 CA THR A 21 2.092 -10.753 -15.695 1.00 0.00 C ATOM 271 C THR A 21 2.179 -9.235 -15.810 1.00 0.00 C ATOM 272 O THR A 21 1.491 -8.624 -16.628 1.00 0.00 O ATOM 273 CB THR A 21 3.249 -11.384 -16.493 1.00 0.00 C ATOM 274 OG1 THR A 21 3.085 -12.805 -16.551 1.00 0.00 O ATOM 275 CG2 THR A 21 4.590 -11.048 -15.859 1.00 0.00 C ATOM 0 HA THR A 21 2.183 -11.041 -14.648 1.00 0.00 H new ATOM 0 HB THR A 21 3.231 -10.975 -17.503 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.035 -13.091 -17.487 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.392 -11.504 -16.440 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.724 -9.966 -15.843 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.617 -11.432 -14.839 1.00 0.00 H new ATOM 283 N CYS A 22 3.029 -8.632 -14.985 1.00 0.00 N ATOM 284 CA CYS A 22 3.206 -7.185 -14.994 1.00 0.00 C ATOM 285 C CYS A 22 3.556 -6.688 -16.394 1.00 0.00 C ATOM 286 O CYS A 22 4.590 -7.039 -16.964 1.00 0.00 O ATOM 287 CB CYS A 22 4.303 -6.779 -14.008 1.00 0.00 C ATOM 288 SG CYS A 22 4.286 -5.012 -13.563 1.00 0.00 S ATOM 0 H CYS A 22 3.606 -9.123 -14.302 1.00 0.00 H new ATOM 0 HA CYS A 22 2.265 -6.727 -14.690 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.198 -7.372 -13.100 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.273 -7.025 -14.439 1.00 0.00 H new ATOM 0 HG CYS A 22 3.243 -4.759 -12.829 1.00 0.00 H new ATOM 293 N PRO A 23 2.675 -5.852 -16.962 1.00 0.00 N ATOM 294 CA PRO A 23 2.869 -5.288 -18.302 1.00 0.00 C ATOM 295 C PRO A 23 4.008 -4.275 -18.345 1.00 0.00 C ATOM 296 O PRO A 23 4.236 -3.627 -19.367 1.00 0.00 O ATOM 297 CB PRO A 23 1.532 -4.603 -18.595 1.00 0.00 C ATOM 298 CG PRO A 23 0.966 -4.287 -17.254 1.00 0.00 C ATOM 299 CD PRO A 23 1.422 -5.391 -16.341 1.00 0.00 C ATOM 0 HA PRO A 23 3.141 -6.052 -19.031 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.672 -3.700 -19.188 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.868 -5.257 -19.161 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.318 -3.318 -16.900 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.122 -4.236 -17.292 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.586 -5.031 -15.325 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.685 -6.192 -16.280 1.00 0.00 H new ATOM 307 N ILE A 24 4.719 -4.144 -17.230 1.00 0.00 N ATOM 308 CA ILE A 24 5.835 -3.210 -17.143 1.00 0.00 C ATOM 309 C ILE A 24 7.162 -3.950 -17.013 1.00 0.00 C ATOM 310 O ILE A 24 8.018 -3.872 -17.895 1.00 0.00 O ATOM 311 CB ILE A 24 5.675 -2.252 -15.947 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.402 -1.418 -16.101 1.00 0.00 C ATOM 313 CG2 ILE A 24 6.895 -1.351 -15.824 1.00 0.00 C ATOM 314 CD1 ILE A 24 3.859 -0.897 -14.789 1.00 0.00 C ATOM 0 H ILE A 24 4.542 -4.672 -16.375 1.00 0.00 H new ATOM 0 HA ILE A 24 5.834 -2.630 -18.066 1.00 0.00 H new ATOM 0 HB ILE A 24 5.591 -2.843 -15.035 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.607 -0.575 -16.760 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.637 -2.024 -16.587 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.767 -0.680 -14.975 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.785 -1.962 -15.673 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.008 -0.765 -16.736 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.956 -0.315 -14.974 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.622 -1.736 -14.135 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.607 -0.264 -14.311 1.00 0.00 H new ATOM 326 N CYS A 25 7.326 -4.671 -15.909 1.00 0.00 N ATOM 327 CA CYS A 25 8.548 -5.427 -15.663 1.00 0.00 C ATOM 328 C CYS A 25 8.458 -6.821 -16.278 1.00 0.00 C ATOM 329 O CYS A 25 9.474 -7.480 -16.500 1.00 0.00 O ATOM 330 CB CYS A 25 8.811 -5.537 -14.159 1.00 0.00 C ATOM 331 SG CYS A 25 7.526 -6.448 -13.245 1.00 0.00 S ATOM 0 H CYS A 25 6.627 -4.748 -15.170 1.00 0.00 H new ATOM 0 HA CYS A 25 9.376 -4.895 -16.132 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.771 -6.030 -14.004 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.897 -4.534 -13.742 1.00 0.00 H new ATOM 0 HG CYS A 25 6.421 -5.763 -13.251 1.00 0.00 H new ATOM 336 N LEU A 26 7.235 -7.263 -16.550 1.00 0.00 N ATOM 337 CA LEU A 26 7.011 -8.578 -17.140 1.00 0.00 C ATOM 338 C LEU A 26 7.539 -9.681 -16.228 1.00 0.00 C ATOM 339 O LEU A 26 8.239 -10.588 -16.676 1.00 0.00 O ATOM 340 CB LEU A 26 7.687 -8.667 -18.509 1.00 0.00 C ATOM 341 CG LEU A 26 7.219 -7.654 -19.555 1.00 0.00 C ATOM 342 CD1 LEU A 26 8.153 -7.656 -20.755 1.00 0.00 C ATOM 343 CD2 LEU A 26 5.791 -7.956 -19.988 1.00 0.00 C ATOM 0 H LEU A 26 6.384 -6.730 -16.371 1.00 0.00 H new ATOM 0 HA LEU A 26 5.937 -8.715 -17.262 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.761 -8.546 -18.370 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.528 -9.669 -18.906 1.00 0.00 H new ATOM 0 HG LEU A 26 7.239 -6.661 -19.106 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.804 -6.929 -21.489 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.160 -7.392 -20.433 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.165 -8.649 -21.205 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.474 -7.225 -20.732 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.745 -8.956 -20.419 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.130 -7.903 -19.123 1.00 0.00 H new ATOM 355 N GLU A 27 7.197 -9.597 -14.946 1.00 0.00 N ATOM 356 CA GLU A 27 7.636 -10.589 -13.972 1.00 0.00 C ATOM 357 C GLU A 27 6.556 -10.835 -12.922 1.00 0.00 C ATOM 358 O GLU A 27 5.653 -10.017 -12.740 1.00 0.00 O ATOM 359 CB GLU A 27 8.928 -10.132 -13.292 1.00 0.00 C ATOM 360 CG GLU A 27 10.185 -10.503 -14.062 1.00 0.00 C ATOM 361 CD GLU A 27 11.447 -10.323 -13.241 1.00 0.00 C ATOM 362 OE1 GLU A 27 11.662 -9.209 -12.720 1.00 0.00 O ATOM 363 OE2 GLU A 27 12.219 -11.297 -13.121 1.00 0.00 O ATOM 0 H GLU A 27 6.618 -8.852 -14.558 1.00 0.00 H new ATOM 0 HA GLU A 27 7.823 -11.523 -14.502 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.897 -9.050 -13.162 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.979 -10.571 -12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.113 -11.540 -14.389 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.250 -9.890 -14.961 1.00 0.00 H new ATOM 370 N LEU A 28 6.655 -11.967 -12.234 1.00 0.00 N ATOM 371 CA LEU A 28 5.687 -12.323 -11.202 1.00 0.00 C ATOM 372 C LEU A 28 5.335 -11.111 -10.345 1.00 0.00 C ATOM 373 O LEU A 28 6.174 -10.595 -9.606 1.00 0.00 O ATOM 374 CB LEU A 28 6.242 -13.442 -10.319 1.00 0.00 C ATOM 375 CG LEU A 28 5.968 -14.869 -10.793 1.00 0.00 C ATOM 376 CD1 LEU A 28 4.487 -15.197 -10.673 1.00 0.00 C ATOM 377 CD2 LEU A 28 6.442 -15.056 -12.227 1.00 0.00 C ATOM 0 H LEU A 28 7.396 -12.654 -12.372 1.00 0.00 H new ATOM 0 HA LEU A 28 4.780 -12.673 -11.694 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.321 -13.309 -10.234 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.827 -13.327 -9.318 1.00 0.00 H new ATOM 0 HG LEU A 28 6.525 -15.555 -10.155 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.311 -16.217 -11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.177 -15.105 -9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.910 -14.504 -11.286 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.239 -16.078 -12.547 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.914 -14.360 -12.878 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.514 -14.864 -12.284 1.00 0.00 H new ATOM 389 N LEU A 29 4.089 -10.663 -10.448 1.00 0.00 N ATOM 390 CA LEU A 29 3.623 -9.513 -9.681 1.00 0.00 C ATOM 391 C LEU A 29 3.773 -9.760 -8.183 1.00 0.00 C ATOM 392 O LEU A 29 3.251 -10.740 -7.649 1.00 0.00 O ATOM 393 CB LEU A 29 2.162 -9.209 -10.015 1.00 0.00 C ATOM 394 CG LEU A 29 1.865 -8.865 -11.475 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.490 -9.377 -11.875 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.964 -7.363 -11.700 1.00 0.00 C ATOM 0 H LEU A 29 3.383 -11.079 -11.055 1.00 0.00 H new ATOM 0 HA LEU A 29 4.237 -8.654 -9.953 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.559 -10.073 -9.736 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.833 -8.377 -9.392 1.00 0.00 H new ATOM 0 HG LEU A 29 2.609 -9.356 -12.103 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.296 -9.123 -12.917 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.455 -10.460 -11.753 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.268 -8.916 -11.242 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.750 -7.137 -12.744 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.243 -6.851 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.970 -7.024 -11.454 1.00 0.00 H new ATOM 408 N LYS A 30 4.488 -8.866 -7.509 1.00 0.00 N ATOM 409 CA LYS A 30 4.704 -8.984 -6.072 1.00 0.00 C ATOM 410 C LYS A 30 3.783 -8.041 -5.304 1.00 0.00 C ATOM 411 O LYS A 30 3.903 -6.821 -5.409 1.00 0.00 O ATOM 412 CB LYS A 30 6.164 -8.681 -5.729 1.00 0.00 C ATOM 413 CG LYS A 30 7.134 -9.752 -6.196 1.00 0.00 C ATOM 414 CD LYS A 30 8.578 -9.324 -5.993 1.00 0.00 C ATOM 415 CE LYS A 30 9.053 -8.415 -7.116 1.00 0.00 C ATOM 416 NZ LYS A 30 10.498 -8.080 -6.986 1.00 0.00 N ATOM 0 H LYS A 30 4.928 -8.051 -7.936 1.00 0.00 H new ATOM 0 HA LYS A 30 4.473 -10.008 -5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.444 -7.728 -6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.258 -8.564 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.947 -10.676 -5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.962 -9.965 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.674 -8.806 -5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.216 -10.206 -5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.878 -8.902 -8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.466 -7.497 -7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.782 -7.459 -7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.661 -7.593 -6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.061 -8.954 -7.015 1.00 0.00 H new ATOM 430 N GLU A 31 2.867 -8.615 -4.531 1.00 0.00 N ATOM 431 CA GLU A 31 1.927 -7.824 -3.745 1.00 0.00 C ATOM 432 C GLU A 31 1.407 -6.637 -4.552 1.00 0.00 C ATOM 433 O GLU A 31 1.461 -5.487 -4.116 1.00 0.00 O ATOM 434 CB GLU A 31 2.593 -7.328 -2.460 1.00 0.00 C ATOM 435 CG GLU A 31 2.562 -8.341 -1.328 1.00 0.00 C ATOM 436 CD GLU A 31 3.549 -8.014 -0.225 1.00 0.00 C ATOM 437 OE1 GLU A 31 3.357 -6.988 0.460 1.00 0.00 O ATOM 438 OE2 GLU A 31 4.515 -8.786 -0.046 1.00 0.00 O ATOM 0 H GLU A 31 2.756 -9.624 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 31 1.083 -8.463 -3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.629 -7.068 -2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.096 -6.415 -2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.556 -8.382 -0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.783 -9.332 -1.726 1.00 0.00 H new ATOM 445 N PRO A 32 0.892 -6.922 -5.757 1.00 0.00 N ATOM 446 CA PRO A 32 0.352 -5.893 -6.650 1.00 0.00 C ATOM 447 C PRO A 32 -0.949 -5.295 -6.127 1.00 0.00 C ATOM 448 O PRO A 32 -1.551 -5.817 -5.188 1.00 0.00 O ATOM 449 CB PRO A 32 0.104 -6.651 -7.957 1.00 0.00 C ATOM 450 CG PRO A 32 -0.086 -8.069 -7.541 1.00 0.00 C ATOM 451 CD PRO A 32 0.796 -8.271 -6.340 1.00 0.00 C ATOM 0 HA PRO A 32 1.032 -5.047 -6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.775 -6.269 -8.476 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.947 -6.548 -8.641 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.130 -8.267 -7.296 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.188 -8.752 -8.345 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.362 -8.982 -5.638 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.775 -8.658 -6.621 1.00 0.00 H new ATOM 459 N VAL A 33 -1.380 -4.196 -6.740 1.00 0.00 N ATOM 460 CA VAL A 33 -2.611 -3.528 -6.336 1.00 0.00 C ATOM 461 C VAL A 33 -3.526 -3.293 -7.532 1.00 0.00 C ATOM 462 O VAL A 33 -3.113 -2.719 -8.540 1.00 0.00 O ATOM 463 CB VAL A 33 -2.319 -2.178 -5.654 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.480 -2.383 -4.402 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.626 -1.232 -6.622 1.00 0.00 C ATOM 0 H VAL A 33 -0.894 -3.750 -7.518 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.110 -4.186 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.266 -1.727 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.284 -1.419 -3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.019 -3.023 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.535 -2.855 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.427 -0.283 -6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.685 -1.673 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.268 -1.061 -7.486 1.00 0.00 H new ATOM 475 N SER A 34 -4.772 -3.741 -7.414 1.00 0.00 N ATOM 476 CA SER A 34 -5.747 -3.582 -8.487 1.00 0.00 C ATOM 477 C SER A 34 -6.115 -2.113 -8.673 1.00 0.00 C ATOM 478 O SER A 34 -5.909 -1.292 -7.781 1.00 0.00 O ATOM 479 CB SER A 34 -7.004 -4.401 -8.188 1.00 0.00 C ATOM 480 OG SER A 34 -6.783 -5.780 -8.430 1.00 0.00 O ATOM 0 H SER A 34 -5.130 -4.217 -6.586 1.00 0.00 H new ATOM 0 HA SER A 34 -5.297 -3.945 -9.411 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.300 -4.254 -7.149 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.828 -4.047 -8.807 1.00 0.00 H new ATOM 0 HG SER A 34 -7.600 -6.282 -8.230 1.00 0.00 H new ATOM 486 N ALA A 35 -6.663 -1.791 -9.841 1.00 0.00 N ATOM 487 CA ALA A 35 -7.062 -0.423 -10.145 1.00 0.00 C ATOM 488 C ALA A 35 -8.448 -0.384 -10.782 1.00 0.00 C ATOM 489 O ALA A 35 -8.992 -1.418 -11.169 1.00 0.00 O ATOM 490 CB ALA A 35 -6.040 0.234 -11.061 1.00 0.00 C ATOM 0 H ALA A 35 -6.840 -2.459 -10.591 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.105 0.133 -9.209 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.351 1.256 -11.280 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.067 0.248 -10.570 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.969 -0.330 -11.991 1.00 0.00 H new ATOM 496 N ASP A 36 -9.012 0.814 -10.886 1.00 0.00 N ATOM 497 CA ASP A 36 -10.335 0.987 -11.476 1.00 0.00 C ATOM 498 C ASP A 36 -10.439 0.244 -12.804 1.00 0.00 C ATOM 499 O ASP A 36 -11.492 -0.294 -13.146 1.00 0.00 O ATOM 500 CB ASP A 36 -10.634 2.472 -11.683 1.00 0.00 C ATOM 501 CG ASP A 36 -11.713 2.706 -12.722 1.00 0.00 C ATOM 502 OD1 ASP A 36 -11.443 2.479 -13.920 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.827 3.117 -12.337 1.00 0.00 O ATOM 0 H ASP A 36 -8.574 1.679 -10.570 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.070 0.569 -10.788 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.944 2.913 -10.736 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.722 2.984 -11.989 1.00 0.00 H new ATOM 508 N CYS A 37 -9.339 0.221 -13.551 1.00 0.00 N ATOM 509 CA CYS A 37 -9.306 -0.453 -14.843 1.00 0.00 C ATOM 510 C CYS A 37 -8.920 -1.921 -14.681 1.00 0.00 C ATOM 511 O CYS A 37 -8.187 -2.474 -15.499 1.00 0.00 O ATOM 512 CB CYS A 37 -8.319 0.244 -15.780 1.00 0.00 C ATOM 513 SG CYS A 37 -6.663 0.497 -15.063 1.00 0.00 S ATOM 0 H CYS A 37 -8.459 0.662 -13.283 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.305 -0.403 -15.276 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.222 -0.346 -16.692 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.730 1.212 -16.068 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.554 1.723 -14.645 1.00 0.00 H new ATOM 518 N ASN A 38 -9.419 -2.545 -13.619 1.00 0.00 N ATOM 519 CA ASN A 38 -9.127 -3.948 -13.348 1.00 0.00 C ATOM 520 C ASN A 38 -7.696 -4.292 -13.750 1.00 0.00 C ATOM 521 O ASN A 38 -7.430 -5.375 -14.272 1.00 0.00 O ATOM 522 CB ASN A 38 -10.110 -4.849 -14.099 1.00 0.00 C ATOM 523 CG ASN A 38 -10.039 -6.292 -13.638 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.489 -6.590 -12.577 1.00 0.00 O ATOM 525 ND2 ASN A 38 -10.596 -7.195 -14.436 1.00 0.00 N ATOM 0 H ASN A 38 -10.028 -2.101 -12.932 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.236 -4.116 -12.277 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.124 -4.474 -13.957 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.899 -4.801 -15.167 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.579 -8.182 -14.179 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.041 -6.902 -15.306 1.00 0.00 H new ATOM 532 N HIS A 39 -6.778 -3.364 -13.501 1.00 0.00 N ATOM 533 CA HIS A 39 -5.373 -3.569 -13.835 1.00 0.00 C ATOM 534 C HIS A 39 -4.496 -3.453 -12.592 1.00 0.00 C ATOM 535 O HIS A 39 -4.490 -2.423 -11.919 1.00 0.00 O ATOM 536 CB HIS A 39 -4.923 -2.554 -14.887 1.00 0.00 C ATOM 537 CG HIS A 39 -5.573 -2.748 -16.223 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.565 -1.786 -17.210 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.252 -3.802 -16.732 1.00 0.00 C ATOM 540 CE1 HIS A 39 -6.212 -2.239 -18.269 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.639 -3.461 -18.005 1.00 0.00 N ATOM 0 H HIS A 39 -6.982 -2.463 -13.069 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.265 -4.575 -14.242 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.143 -1.549 -14.528 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.841 -2.621 -15.005 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.452 -4.737 -16.231 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.366 -1.702 -19.193 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.170 -4.055 -18.643 1.00 0.00 H new ATOM 549 N SER A 40 -3.757 -4.517 -12.294 1.00 0.00 N ATOM 550 CA SER A 40 -2.880 -4.536 -11.129 1.00 0.00 C ATOM 551 C SER A 40 -1.415 -4.552 -11.552 1.00 0.00 C ATOM 552 O SER A 40 -1.071 -5.053 -12.623 1.00 0.00 O ATOM 553 CB SER A 40 -3.184 -5.755 -10.256 1.00 0.00 C ATOM 554 OG SER A 40 -3.260 -6.936 -11.037 1.00 0.00 O ATOM 0 H SER A 40 -3.748 -5.377 -12.843 1.00 0.00 H new ATOM 0 HA SER A 40 -3.063 -3.630 -10.552 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.409 -5.866 -9.498 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.126 -5.603 -9.729 1.00 0.00 H new ATOM 0 HG SER A 40 -3.453 -7.701 -10.456 1.00 0.00 H new ATOM 560 N PHE A 41 -0.554 -3.999 -10.704 1.00 0.00 N ATOM 561 CA PHE A 41 0.875 -3.948 -10.989 1.00 0.00 C ATOM 562 C PHE A 41 1.690 -4.027 -9.702 1.00 0.00 C ATOM 563 O PHE A 41 1.217 -3.648 -8.630 1.00 0.00 O ATOM 564 CB PHE A 41 1.220 -2.663 -11.746 1.00 0.00 C ATOM 565 CG PHE A 41 0.199 -2.286 -12.781 1.00 0.00 C ATOM 566 CD1 PHE A 41 -0.959 -1.616 -12.420 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.398 -2.601 -14.116 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.900 -1.266 -13.370 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.539 -2.253 -15.071 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.690 -1.586 -14.697 1.00 0.00 C ATOM 0 H PHE A 41 -0.821 -3.580 -9.813 1.00 0.00 H new ATOM 0 HA PHE A 41 1.127 -4.807 -11.611 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.321 -1.846 -11.032 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.189 -2.785 -12.230 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.128 -1.364 -11.384 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.295 -3.124 -14.413 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.798 -0.743 -13.075 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.372 -2.502 -16.108 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.424 -1.315 -15.441 1.00 0.00 H new ATOM 580 N CYS A 42 2.917 -4.523 -9.815 1.00 0.00 N ATOM 581 CA CYS A 42 3.799 -4.654 -8.662 1.00 0.00 C ATOM 582 C CYS A 42 3.695 -3.431 -7.755 1.00 0.00 C ATOM 583 O CYS A 42 3.819 -2.295 -8.212 1.00 0.00 O ATOM 584 CB CYS A 42 5.247 -4.841 -9.119 1.00 0.00 C ATOM 585 SG CYS A 42 5.474 -6.168 -10.346 1.00 0.00 S ATOM 0 H CYS A 42 3.324 -4.841 -10.695 1.00 0.00 H new ATOM 0 HA CYS A 42 3.487 -5.532 -8.096 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.607 -3.903 -9.543 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.867 -5.056 -8.248 1.00 0.00 H new ATOM 0 HG CYS A 42 5.068 -5.757 -11.510 1.00 0.00 H new ATOM 590 N ARG A 43 3.466 -3.673 -6.469 1.00 0.00 N ATOM 591 CA ARG A 43 3.343 -2.592 -5.498 1.00 0.00 C ATOM 592 C ARG A 43 4.281 -1.440 -5.847 1.00 0.00 C ATOM 593 O ARG A 43 3.885 -0.275 -5.821 1.00 0.00 O ATOM 594 CB ARG A 43 3.650 -3.105 -4.090 1.00 0.00 C ATOM 595 CG ARG A 43 3.651 -2.014 -3.031 1.00 0.00 C ATOM 596 CD ARG A 43 2.271 -1.830 -2.420 1.00 0.00 C ATOM 597 NE ARG A 43 2.249 -0.752 -1.435 1.00 0.00 N ATOM 598 CZ ARG A 43 1.359 -0.674 -0.452 1.00 0.00 C ATOM 599 NH1 ARG A 43 0.424 -1.605 -0.323 1.00 0.00 N ATOM 600 NH2 ARG A 43 1.403 0.338 0.406 1.00 0.00 N ATOM 0 H ARG A 43 3.362 -4.608 -6.075 1.00 0.00 H new ATOM 0 HA ARG A 43 2.317 -2.225 -5.528 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.913 -3.862 -3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.623 -3.595 -4.095 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.366 -2.266 -2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.982 -1.075 -3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.551 -1.615 -3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.957 -2.760 -1.947 1.00 0.00 H new ATOM 0 HE ARG A 43 2.955 -0.019 -1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.386 -2.384 -0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.258 -1.542 0.433 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.121 1.057 0.311 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.719 0.397 1.160 1.00 0.00 H new ATOM 614 N ALA A 44 5.525 -1.774 -6.172 1.00 0.00 N ATOM 615 CA ALA A 44 6.519 -0.768 -6.527 1.00 0.00 C ATOM 616 C ALA A 44 6.229 -0.171 -7.900 1.00 0.00 C ATOM 617 O ALA A 44 5.960 1.024 -8.025 1.00 0.00 O ATOM 618 CB ALA A 44 7.915 -1.371 -6.496 1.00 0.00 C ATOM 0 H ALA A 44 5.869 -2.734 -6.197 1.00 0.00 H new ATOM 0 HA ALA A 44 6.466 0.035 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.647 -0.609 -6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.128 -1.743 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.972 -2.194 -7.209 1.00 0.00 H new ATOM 624 N CYS A 45 6.286 -1.010 -8.929 1.00 0.00 N ATOM 625 CA CYS A 45 6.031 -0.566 -10.294 1.00 0.00 C ATOM 626 C CYS A 45 4.981 0.541 -10.318 1.00 0.00 C ATOM 627 O CYS A 45 5.282 1.689 -10.647 1.00 0.00 O ATOM 628 CB CYS A 45 5.569 -1.741 -11.157 1.00 0.00 C ATOM 629 SG CYS A 45 6.904 -2.890 -11.625 1.00 0.00 S ATOM 0 H CYS A 45 6.507 -2.002 -8.843 1.00 0.00 H new ATOM 0 HA CYS A 45 6.961 -0.170 -10.701 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.800 -2.294 -10.617 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.105 -1.352 -12.063 1.00 0.00 H new ATOM 0 HG CYS A 45 6.535 -4.111 -11.372 1.00 0.00 H new ATOM 634 N ILE A 46 3.749 0.188 -9.968 1.00 0.00 N ATOM 635 CA ILE A 46 2.655 1.151 -9.949 1.00 0.00 C ATOM 636 C ILE A 46 3.078 2.450 -9.272 1.00 0.00 C ATOM 637 O ILE A 46 2.775 3.542 -9.754 1.00 0.00 O ATOM 638 CB ILE A 46 1.420 0.585 -9.223 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.243 1.556 -9.340 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.744 0.311 -7.762 1.00 0.00 C ATOM 641 CD1 ILE A 46 -1.107 0.873 -9.338 1.00 0.00 C ATOM 0 H ILE A 46 3.483 -0.758 -9.694 1.00 0.00 H new ATOM 0 HA ILE A 46 2.395 1.354 -10.988 1.00 0.00 H new ATOM 0 HB ILE A 46 1.139 -0.356 -9.695 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.284 2.265 -8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.348 2.132 -10.259 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.861 -0.089 -7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.556 -0.414 -7.699 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.047 1.239 -7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.894 1.622 -9.424 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.168 0.185 -10.181 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.233 0.319 -8.408 1.00 0.00 H new ATOM 653 N THR A 47 3.783 2.325 -8.152 1.00 0.00 N ATOM 654 CA THR A 47 4.249 3.488 -7.409 1.00 0.00 C ATOM 655 C THR A 47 5.227 4.314 -8.237 1.00 0.00 C ATOM 656 O THR A 47 4.996 5.497 -8.492 1.00 0.00 O ATOM 657 CB THR A 47 4.931 3.077 -6.090 1.00 0.00 C ATOM 658 OG1 THR A 47 3.992 2.407 -5.241 1.00 0.00 O ATOM 659 CG2 THR A 47 5.496 4.292 -5.370 1.00 0.00 C ATOM 0 H THR A 47 4.044 1.429 -7.740 1.00 0.00 H new ATOM 0 HA THR A 47 3.369 4.090 -7.182 1.00 0.00 H new ATOM 0 HB THR A 47 5.753 2.401 -6.327 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.083 1.438 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.972 3.976 -4.442 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.232 4.783 -6.007 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.689 4.989 -5.145 1.00 0.00 H new ATOM 667 N LEU A 48 6.320 3.685 -8.654 1.00 0.00 N ATOM 668 CA LEU A 48 7.334 4.361 -9.455 1.00 0.00 C ATOM 669 C LEU A 48 6.741 4.876 -10.763 1.00 0.00 C ATOM 670 O LEU A 48 6.708 6.081 -11.009 1.00 0.00 O ATOM 671 CB LEU A 48 8.498 3.413 -9.749 1.00 0.00 C ATOM 672 CG LEU A 48 9.567 3.306 -8.661 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.261 4.645 -8.462 1.00 0.00 C ATOM 674 CD2 LEU A 48 8.954 2.821 -7.356 1.00 0.00 C ATOM 0 H LEU A 48 6.527 2.707 -8.450 1.00 0.00 H new ATOM 0 HA LEU A 48 7.703 5.213 -8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.093 2.418 -9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.979 3.736 -10.672 1.00 0.00 H new ATOM 0 HG LEU A 48 10.312 2.578 -8.981 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.019 4.550 -7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.735 4.951 -9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.527 5.394 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.730 2.751 -6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.188 3.524 -7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.505 1.840 -7.508 1.00 0.00 H new ATOM 686 N ASN A 49 6.272 3.955 -11.597 1.00 0.00 N ATOM 687 CA ASN A 49 5.678 4.316 -12.879 1.00 0.00 C ATOM 688 C ASN A 49 4.838 5.583 -12.752 1.00 0.00 C ATOM 689 O ASN A 49 4.957 6.504 -13.561 1.00 0.00 O ATOM 690 CB ASN A 49 4.813 3.168 -13.406 1.00 0.00 C ATOM 691 CG ASN A 49 4.750 3.140 -14.921 1.00 0.00 C ATOM 692 OD1 ASN A 49 5.717 2.773 -15.587 1.00 0.00 O ATOM 693 ND2 ASN A 49 3.606 3.530 -15.472 1.00 0.00 N ATOM 0 H ASN A 49 6.292 2.953 -11.409 1.00 0.00 H new ATOM 0 HA ASN A 49 6.487 4.506 -13.585 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.212 2.220 -13.044 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.804 3.263 -13.005 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.504 3.533 -16.487 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.830 3.826 -14.880 1.00 0.00 H new ATOM 700 N TYR A 50 3.988 5.623 -11.731 1.00 0.00 N ATOM 701 CA TYR A 50 3.127 6.776 -11.499 1.00 0.00 C ATOM 702 C TYR A 50 3.951 8.053 -11.362 1.00 0.00 C ATOM 703 O TYR A 50 3.796 8.990 -12.144 1.00 0.00 O ATOM 704 CB TYR A 50 2.283 6.563 -10.241 1.00 0.00 C ATOM 705 CG TYR A 50 1.788 7.849 -9.619 1.00 0.00 C ATOM 706 CD1 TYR A 50 0.900 8.675 -10.297 1.00 0.00 C ATOM 707 CD2 TYR A 50 2.207 8.239 -8.353 1.00 0.00 C ATOM 708 CE1 TYR A 50 0.445 9.851 -9.734 1.00 0.00 C ATOM 709 CE2 TYR A 50 1.756 9.413 -7.781 1.00 0.00 C ATOM 710 CZ TYR A 50 0.876 10.216 -8.475 1.00 0.00 C ATOM 711 OH TYR A 50 0.424 11.386 -7.910 1.00 0.00 O ATOM 0 H TYR A 50 3.877 4.870 -11.052 1.00 0.00 H new ATOM 0 HA TYR A 50 2.466 6.883 -12.359 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.427 5.937 -10.490 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.874 6.017 -9.505 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.559 8.392 -11.282 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.897 7.614 -7.806 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.244 10.481 -10.276 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.091 9.700 -6.795 1.00 0.00 H new ATOM 0 HH TYR A 50 0.822 11.495 -7.021 1.00 0.00 H new ATOM 721 N GLU A 51 4.827 8.080 -10.363 1.00 0.00 N ATOM 722 CA GLU A 51 5.676 9.241 -10.124 1.00 0.00 C ATOM 723 C GLU A 51 6.293 9.742 -11.426 1.00 0.00 C ATOM 724 O GLU A 51 6.255 10.935 -11.726 1.00 0.00 O ATOM 725 CB GLU A 51 6.780 8.896 -9.122 1.00 0.00 C ATOM 726 CG GLU A 51 6.304 8.862 -7.680 1.00 0.00 C ATOM 727 CD GLU A 51 6.318 10.231 -7.028 1.00 0.00 C ATOM 728 OE1 GLU A 51 5.817 11.189 -7.653 1.00 0.00 O ATOM 729 OE2 GLU A 51 6.829 10.344 -5.894 1.00 0.00 O ATOM 0 H GLU A 51 4.967 7.312 -9.707 1.00 0.00 H new ATOM 0 HA GLU A 51 5.054 10.034 -9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.202 7.925 -9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.583 9.627 -9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.292 8.457 -7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.938 8.185 -7.108 1.00 0.00 H new ATOM 861 N ASN A 61 -1.374 7.997 -14.822 1.00 0.00 N ATOM 862 CA ASN A 61 -1.802 7.313 -16.036 1.00 0.00 C ATOM 863 C ASN A 61 -1.397 5.842 -16.003 1.00 0.00 C ATOM 864 O ASN A 61 -0.287 5.502 -15.595 1.00 0.00 O ATOM 865 CB ASN A 61 -1.200 7.992 -17.268 1.00 0.00 C ATOM 866 CG ASN A 61 0.259 8.359 -17.071 1.00 0.00 C ATOM 867 OD1 ASN A 61 1.150 7.535 -17.273 1.00 0.00 O ATOM 868 ND2 ASN A 61 0.507 9.601 -16.674 1.00 0.00 N ATOM 0 HA ASN A 61 -2.889 7.371 -16.092 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.292 7.327 -18.127 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.770 8.892 -17.499 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.469 9.906 -16.524 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.264 10.250 -16.519 1.00 0.00 H new ATOM 875 N CYS A 62 -2.306 4.975 -16.436 1.00 0.00 N ATOM 876 CA CYS A 62 -2.045 3.540 -16.457 1.00 0.00 C ATOM 877 C CYS A 62 -1.127 3.171 -17.619 1.00 0.00 C ATOM 878 O CYS A 62 -1.333 3.583 -18.761 1.00 0.00 O ATOM 879 CB CYS A 62 -3.359 2.764 -16.564 1.00 0.00 C ATOM 880 SG CYS A 62 -3.165 0.956 -16.448 1.00 0.00 S ATOM 0 H CYS A 62 -3.230 5.241 -16.777 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.547 3.272 -15.525 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.032 3.098 -15.774 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.836 3.008 -17.513 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.256 0.432 -15.974 1.00 0.00 H new ATOM 885 N PRO A 63 -0.089 2.376 -17.323 1.00 0.00 N ATOM 886 CA PRO A 63 0.881 1.933 -18.329 1.00 0.00 C ATOM 887 C PRO A 63 0.278 0.942 -19.318 1.00 0.00 C ATOM 888 O PRO A 63 0.988 0.354 -20.135 1.00 0.00 O ATOM 889 CB PRO A 63 1.974 1.258 -17.495 1.00 0.00 C ATOM 890 CG PRO A 63 1.284 0.820 -16.250 1.00 0.00 C ATOM 891 CD PRO A 63 0.218 1.847 -15.983 1.00 0.00 C ATOM 0 HA PRO A 63 1.242 2.761 -18.940 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.410 0.411 -18.025 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.787 1.949 -17.275 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.848 -0.171 -16.374 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.984 0.759 -15.417 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.660 1.402 -15.516 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.573 2.630 -15.313 1.00 0.00 H new ATOM 899 N VAL A 64 -1.036 0.760 -19.241 1.00 0.00 N ATOM 900 CA VAL A 64 -1.735 -0.159 -20.131 1.00 0.00 C ATOM 901 C VAL A 64 -2.826 0.560 -20.916 1.00 0.00 C ATOM 902 O VAL A 64 -2.761 0.660 -22.142 1.00 0.00 O ATOM 903 CB VAL A 64 -2.365 -1.327 -19.350 1.00 0.00 C ATOM 904 CG1 VAL A 64 -3.138 -2.242 -20.287 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.294 -2.103 -18.598 1.00 0.00 C ATOM 0 H VAL A 64 -1.639 1.237 -18.571 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.993 -0.554 -20.824 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.065 -0.918 -18.622 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.576 -3.061 -19.716 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.931 -1.676 -20.776 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.462 -2.646 -21.041 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.756 -2.925 -18.051 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.568 -2.502 -19.307 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.789 -1.439 -17.896 1.00 0.00 H new ATOM 915 N CYS A 65 -3.830 1.060 -20.203 1.00 0.00 N ATOM 916 CA CYS A 65 -4.936 1.770 -20.831 1.00 0.00 C ATOM 917 C CYS A 65 -4.771 3.280 -20.679 1.00 0.00 C ATOM 918 O CYS A 65 -5.522 4.059 -21.265 1.00 0.00 O ATOM 919 CB CYS A 65 -6.267 1.328 -20.219 1.00 0.00 C ATOM 920 SG CYS A 65 -6.397 1.627 -18.427 1.00 0.00 S ATOM 0 H CYS A 65 -3.899 0.986 -19.188 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.933 1.527 -21.894 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.079 1.852 -20.724 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.407 0.264 -20.410 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.262 1.349 -17.857 1.00 0.00 H new ATOM 925 N ARG A 66 -3.781 3.684 -19.890 1.00 0.00 N ATOM 926 CA ARG A 66 -3.517 5.099 -19.660 1.00 0.00 C ATOM 927 C ARG A 66 -4.772 5.814 -19.167 1.00 0.00 C ATOM 928 O ARG A 66 -5.204 6.807 -19.752 1.00 0.00 O ATOM 929 CB ARG A 66 -3.012 5.761 -20.944 1.00 0.00 C ATOM 930 CG ARG A 66 -1.719 5.160 -21.471 1.00 0.00 C ATOM 931 CD ARG A 66 -1.970 3.846 -22.194 1.00 0.00 C ATOM 932 NE ARG A 66 -0.953 3.576 -23.207 1.00 0.00 N ATOM 933 CZ ARG A 66 -0.950 4.137 -24.411 1.00 0.00 C ATOM 934 NH1 ARG A 66 -1.903 4.994 -24.750 1.00 0.00 N ATOM 935 NH2 ARG A 66 0.010 3.841 -25.279 1.00 0.00 N ATOM 0 H ARG A 66 -3.149 3.052 -19.399 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.749 5.178 -18.891 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.781 5.678 -21.712 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.860 6.824 -20.759 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.239 5.865 -22.150 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.029 4.995 -20.643 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.986 3.031 -21.470 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.953 3.873 -22.665 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.205 2.922 -22.978 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.642 5.224 -24.085 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.898 5.423 -25.675 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.745 3.183 -25.021 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.012 4.272 -26.204 1.00 0.00 H new ATOM 949 N VAL A 67 -5.352 5.301 -18.086 1.00 0.00 N ATOM 950 CA VAL A 67 -6.557 5.889 -17.514 1.00 0.00 C ATOM 951 C VAL A 67 -6.252 6.592 -16.195 1.00 0.00 C ATOM 952 O VAL A 67 -5.523 6.080 -15.345 1.00 0.00 O ATOM 953 CB VAL A 67 -7.644 4.824 -17.276 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.306 3.980 -16.056 1.00 0.00 C ATOM 955 CG2 VAL A 67 -9.007 5.480 -17.119 1.00 0.00 C ATOM 0 H VAL A 67 -5.007 4.480 -17.589 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.926 6.618 -18.235 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.681 4.167 -18.145 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.085 3.233 -15.903 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.350 3.481 -16.213 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.241 4.621 -15.177 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.763 4.713 -16.952 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.987 6.161 -16.268 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.249 6.037 -18.024 1.00 0.00 H new ATOM 965 N PRO A 68 -6.822 7.793 -16.019 1.00 0.00 N ATOM 966 CA PRO A 68 -6.627 8.591 -14.805 1.00 0.00 C ATOM 967 C PRO A 68 -7.315 7.977 -13.591 1.00 0.00 C ATOM 968 O PRO A 68 -8.538 8.029 -13.466 1.00 0.00 O ATOM 969 CB PRO A 68 -7.267 9.936 -15.159 1.00 0.00 C ATOM 970 CG PRO A 68 -8.275 9.612 -16.207 1.00 0.00 C ATOM 971 CD PRO A 68 -7.703 8.463 -16.991 1.00 0.00 C ATOM 0 HA PRO A 68 -5.575 8.663 -14.529 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.735 10.393 -14.287 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.524 10.643 -15.529 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.231 9.341 -15.759 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.458 10.472 -16.852 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.484 7.795 -17.353 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.149 8.808 -17.864 1.00 0.00 H new ATOM 979 N TYR A 69 -6.520 7.398 -12.698 1.00 0.00 N ATOM 980 CA TYR A 69 -7.053 6.772 -11.493 1.00 0.00 C ATOM 981 C TYR A 69 -6.542 7.478 -10.241 1.00 0.00 C ATOM 982 O TYR A 69 -5.374 7.852 -10.140 1.00 0.00 O ATOM 983 CB TYR A 69 -6.670 5.292 -11.450 1.00 0.00 C ATOM 984 CG TYR A 69 -5.177 5.052 -11.489 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.416 5.098 -10.328 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.529 4.780 -12.687 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.052 4.879 -10.359 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.166 4.559 -12.727 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.432 4.610 -11.561 1.00 0.00 C ATOM 990 OH TYR A 69 -1.074 4.392 -11.597 1.00 0.00 O ATOM 0 H TYR A 69 -5.505 7.349 -12.785 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.139 6.859 -11.519 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.078 4.846 -10.543 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.134 4.780 -12.293 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.899 5.309 -9.385 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.100 4.741 -13.603 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.475 4.918 -9.447 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.678 4.347 -13.667 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.795 4.215 -12.520 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.439 7.666 -9.261 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.104 8.327 -7.997 1.00 0.00 C ATOM 1002 C PRO A 70 -6.184 7.479 -7.125 1.00 0.00 C ATOM 1003 O PRO A 70 -6.590 6.440 -6.604 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.465 8.509 -7.320 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.322 7.436 -7.898 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.850 7.247 -9.313 1.00 0.00 C ATOM 0 HA PRO A 70 -6.564 9.260 -8.156 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.385 8.411 -6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.878 9.497 -7.521 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.227 6.512 -7.328 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.374 7.720 -7.872 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.950 6.210 -9.635 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.424 7.855 -10.013 1.00 0.00 H new ATOM 1014 N PHE A 71 -4.943 7.928 -6.971 1.00 0.00 N ATOM 1015 CA PHE A 71 -3.965 7.209 -6.163 1.00 0.00 C ATOM 1016 C PHE A 71 -4.557 6.820 -4.811 1.00 0.00 C ATOM 1017 O PHE A 71 -5.516 7.431 -4.342 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.714 8.066 -5.957 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.516 7.279 -5.508 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -0.992 6.274 -6.305 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -0.914 7.544 -4.288 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.111 5.548 -5.895 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.189 6.822 -3.873 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.701 5.822 -4.677 1.00 0.00 C ATOM 0 H PHE A 71 -4.591 8.786 -7.395 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.690 6.298 -6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.475 8.576 -6.890 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.930 8.838 -5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.451 6.055 -7.258 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.311 8.323 -3.655 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.510 4.768 -6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.650 7.039 -2.921 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.562 5.255 -4.353 1.00 0.00 H new ATOM 1034 N GLY A 72 -3.977 5.797 -4.190 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.461 5.342 -2.900 1.00 0.00 C ATOM 1036 C GLY A 72 -5.599 4.349 -3.024 1.00 0.00 C ATOM 1037 O GLY A 72 -5.480 3.203 -2.593 1.00 0.00 O ATOM 0 H GLY A 72 -3.181 5.276 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.640 4.882 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.794 6.201 -2.317 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.706 4.790 -3.613 1.00 0.00 N ATOM 1042 CA ASN A 73 -7.871 3.931 -3.790 1.00 0.00 C ATOM 1043 C ASN A 73 -7.449 2.496 -4.089 1.00 0.00 C ATOM 1044 O ASN A 73 -8.072 1.543 -3.619 1.00 0.00 O ATOM 1045 CB ASN A 73 -8.754 4.461 -4.922 1.00 0.00 C ATOM 1046 CG ASN A 73 -10.204 4.044 -4.768 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -10.684 3.827 -3.655 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -10.908 3.931 -5.888 1.00 0.00 N ATOM 0 H ASN A 73 -6.821 5.737 -3.975 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.440 3.937 -2.860 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.693 5.549 -4.948 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.374 4.097 -5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.889 3.654 -5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.468 4.121 -6.788 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.386 2.349 -4.873 1.00 0.00 N ATOM 1056 CA LEU A 74 -5.879 1.030 -5.235 1.00 0.00 C ATOM 1057 C LEU A 74 -6.056 0.044 -4.085 1.00 0.00 C ATOM 1058 O LEU A 74 -5.717 0.343 -2.939 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.402 1.118 -5.624 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.060 2.105 -6.741 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.654 2.654 -6.555 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.199 1.439 -8.102 1.00 0.00 C ATOM 0 H LEU A 74 -5.859 3.127 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.452 0.670 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.829 1.390 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.067 0.126 -5.928 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.762 2.937 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.428 3.355 -7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.588 3.168 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.937 1.833 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.952 2.156 -8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.520 0.588 -8.162 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.225 1.095 -8.236 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.586 -1.134 -4.397 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.805 -2.166 -3.391 1.00 0.00 C ATOM 1076 C LYS A 75 -5.701 -3.218 -3.442 1.00 0.00 C ATOM 1077 O LYS A 75 -5.089 -3.460 -4.483 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.168 -2.831 -3.601 1.00 0.00 C ATOM 1079 CG LYS A 75 -8.206 -3.778 -4.787 1.00 0.00 C ATOM 1080 CD LYS A 75 -9.197 -4.908 -4.566 1.00 0.00 C ATOM 1081 CE LYS A 75 -10.587 -4.536 -5.060 1.00 0.00 C ATOM 1082 NZ LYS A 75 -11.353 -3.772 -4.037 1.00 0.00 N ATOM 0 H LYS A 75 -6.872 -1.398 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.786 -1.692 -2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.438 -3.381 -2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.923 -2.057 -3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.477 -3.225 -5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.212 -4.192 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.852 -5.802 -5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.240 -5.153 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.502 -3.941 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.134 -5.442 -5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.340 -3.670 -4.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.326 -4.282 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.928 -2.830 -3.917 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.442 -3.861 -2.294 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.412 -4.899 -2.183 1.00 0.00 C ATOM 1098 C PRO A 76 -4.794 -6.175 -2.925 1.00 0.00 C ATOM 1099 O PRO A 76 -5.949 -6.598 -2.897 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.332 -5.159 -0.677 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.670 -4.765 -0.153 1.00 0.00 C ATOM 1102 CD PRO A 76 -6.133 -3.624 -1.016 1.00 0.00 C ATOM 0 HA PRO A 76 -3.467 -4.585 -2.626 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.117 -6.207 -0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.538 -4.572 -0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.369 -5.600 -0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.606 -4.463 0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.216 -3.626 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.863 -2.660 -0.586 1.00 0.00 H new