USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 484 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 44 HIS : no HD1:sc= -1.16 K(o=0.22,f=-7.1!) USER MOD Set 1.2: A 46 SER OG : rot -109:sc= 1.38 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.118 (180deg=-0.87) USER MOD Single : A 2 TYR OH : rot 130:sc= -0.509 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00458 USER MOD Single : A 6 GLN : amide:sc= -0.926 X(o=-0.93,f=-0.6) USER MOD Single : A 9 ASN : amide:sc= -2.13 K(o=-2.1,f=-3!) USER MOD Single : A 12 GLN : amide:sc= -7.64! C(o=-7.6!,f=-3.6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= 0.49 (180deg=-0.706) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -158:sc=-0.00452 (180deg=-0.375) USER MOD Single : A 53 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.265 9.234 -14.792 1.00 0.00 N ATOM 2 CA MET A 1 1.496 9.435 -13.531 1.00 0.00 C ATOM 3 C MET A 1 1.588 8.174 -12.670 1.00 0.00 C ATOM 4 O MET A 1 1.507 7.067 -13.165 1.00 0.00 O ATOM 5 CB MET A 1 0.030 9.719 -13.868 1.00 0.00 C ATOM 6 CG MET A 1 -0.466 8.698 -14.893 1.00 0.00 C ATOM 7 SD MET A 1 -2.223 8.981 -15.225 1.00 0.00 S ATOM 8 CE MET A 1 -2.482 7.553 -16.306 1.00 0.00 C ATOM 0 H1 MET A 1 1.942 9.915 -15.508 1.00 0.00 H new ATOM 0 H2 MET A 1 3.278 9.380 -14.608 1.00 0.00 H new ATOM 0 H3 MET A 1 2.112 8.266 -15.141 1.00 0.00 H new ATOM 0 HA MET A 1 1.912 10.279 -12.982 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.578 9.668 -12.965 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.074 10.729 -14.265 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.108 8.785 -15.816 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.314 7.686 -14.517 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.521 7.530 -16.636 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.827 7.630 -17.174 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.254 6.637 -15.760 1.00 0.00 H new ATOM 20 N TYR A 2 1.757 8.330 -11.385 1.00 0.00 N ATOM 21 CA TYR A 2 1.854 7.139 -10.493 1.00 0.00 C ATOM 22 C TYR A 2 0.449 6.633 -10.159 1.00 0.00 C ATOM 23 O TYR A 2 -0.477 6.808 -10.927 1.00 0.00 O ATOM 24 CB TYR A 2 2.593 7.519 -9.208 1.00 0.00 C ATOM 25 CG TYR A 2 1.859 8.633 -8.500 1.00 0.00 C ATOM 26 CD1 TYR A 2 2.026 9.958 -8.918 1.00 0.00 C ATOM 27 CD2 TYR A 2 1.013 8.340 -7.423 1.00 0.00 C ATOM 28 CE1 TYR A 2 1.347 10.992 -8.258 1.00 0.00 C ATOM 29 CE2 TYR A 2 0.336 9.372 -6.764 1.00 0.00 C ATOM 30 CZ TYR A 2 0.503 10.698 -7.181 1.00 0.00 C ATOM 31 OH TYR A 2 -0.167 11.714 -6.531 1.00 0.00 O ATOM 0 H TYR A 2 1.832 9.232 -10.914 1.00 0.00 H new ATOM 0 HA TYR A 2 2.406 6.348 -11.001 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.672 6.651 -8.554 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.610 7.834 -9.443 1.00 0.00 H new ATOM 0 HD1 TYR A 2 2.678 10.184 -9.749 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.883 7.317 -7.101 1.00 0.00 H new ATOM 0 HE1 TYR A 2 1.475 12.015 -8.581 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -0.316 9.146 -5.933 1.00 0.00 H new ATOM 0 HH TYR A 2 -1.117 11.485 -6.458 1.00 0.00 H new ATOM 41 N LEU A 3 0.285 6.001 -9.022 1.00 0.00 N ATOM 42 CA LEU A 3 -1.060 5.468 -8.628 1.00 0.00 C ATOM 43 C LEU A 3 -1.393 5.930 -7.208 1.00 0.00 C ATOM 44 O LEU A 3 -0.712 5.600 -6.259 1.00 0.00 O ATOM 45 CB LEU A 3 -1.030 3.934 -8.658 1.00 0.00 C ATOM 46 CG LEU A 3 -0.624 3.438 -10.058 1.00 0.00 C ATOM 47 CD1 LEU A 3 -0.134 1.991 -9.966 1.00 0.00 C ATOM 48 CD2 LEU A 3 -1.826 3.504 -11.010 1.00 0.00 C ATOM 0 H LEU A 3 1.029 5.830 -8.345 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.813 5.837 -9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.326 3.562 -7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.011 3.538 -8.394 1.00 0.00 H new ATOM 0 HG LEU A 3 0.173 4.075 -10.441 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.153 1.640 -10.957 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.727 1.940 -9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.933 1.360 -9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.528 3.151 -11.997 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.629 2.874 -10.627 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.176 4.534 -11.083 1.00 0.00 H new ATOM 60 N THR A 4 -2.443 6.689 -7.055 1.00 0.00 N ATOM 61 CA THR A 4 -2.824 7.168 -5.696 1.00 0.00 C ATOM 62 C THR A 4 -3.265 5.971 -4.848 1.00 0.00 C ATOM 63 O THR A 4 -3.482 4.888 -5.353 1.00 0.00 O ATOM 64 CB THR A 4 -3.976 8.171 -5.818 1.00 0.00 C ATOM 65 OG1 THR A 4 -3.717 9.054 -6.901 1.00 0.00 O ATOM 66 CG2 THR A 4 -4.108 8.977 -4.523 1.00 0.00 C ATOM 0 H THR A 4 -3.053 6.998 -7.812 1.00 0.00 H new ATOM 0 HA THR A 4 -1.972 7.655 -5.221 1.00 0.00 H new ATOM 0 HB THR A 4 -4.905 7.630 -5.997 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.453 9.696 -6.983 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.929 9.687 -4.619 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.308 8.300 -3.692 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.181 9.518 -4.335 1.00 0.00 H new ATOM 74 N LEU A 5 -3.405 6.161 -3.565 1.00 0.00 N ATOM 75 CA LEU A 5 -3.838 5.039 -2.679 1.00 0.00 C ATOM 76 C LEU A 5 -5.030 4.320 -3.315 1.00 0.00 C ATOM 77 O LEU A 5 -5.002 3.127 -3.544 1.00 0.00 O ATOM 78 CB LEU A 5 -4.249 5.611 -1.317 1.00 0.00 C ATOM 79 CG LEU A 5 -4.320 4.490 -0.265 1.00 0.00 C ATOM 80 CD1 LEU A 5 -4.515 5.105 1.128 1.00 0.00 C ATOM 81 CD2 LEU A 5 -5.489 3.532 -0.578 1.00 0.00 C ATOM 0 H LEU A 5 -3.238 7.047 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.019 4.331 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.532 6.369 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.218 6.103 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.388 3.925 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.565 4.311 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.677 5.763 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.442 5.678 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.526 2.745 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.427 4.087 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.341 3.086 -1.562 1.00 0.00 H new ATOM 93 N GLN A 6 -6.075 5.045 -3.600 1.00 0.00 N ATOM 94 CA GLN A 6 -7.285 4.426 -4.219 1.00 0.00 C ATOM 95 C GLN A 6 -6.879 3.456 -5.334 1.00 0.00 C ATOM 96 O GLN A 6 -6.993 2.254 -5.195 1.00 0.00 O ATOM 97 CB GLN A 6 -8.169 5.530 -4.804 1.00 0.00 C ATOM 98 CG GLN A 6 -8.677 6.432 -3.675 1.00 0.00 C ATOM 99 CD GLN A 6 -9.789 5.716 -2.908 1.00 0.00 C ATOM 100 OE1 GLN A 6 -10.709 5.189 -3.502 1.00 0.00 O ATOM 101 NE2 GLN A 6 -9.743 5.672 -1.605 1.00 0.00 N ATOM 0 H GLN A 6 -6.145 6.048 -3.430 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.832 3.873 -3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -7.604 6.118 -5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.011 5.091 -5.339 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.859 6.683 -3.000 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.050 7.370 -4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.971 6.114 -1.107 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.479 5.195 -1.085 1.00 0.00 H new ATOM 110 N GLU A 7 -6.412 3.967 -6.440 1.00 0.00 N ATOM 111 CA GLU A 7 -6.008 3.070 -7.563 1.00 0.00 C ATOM 112 C GLU A 7 -4.984 2.049 -7.064 1.00 0.00 C ATOM 113 O GLU A 7 -5.093 0.867 -7.323 1.00 0.00 O ATOM 114 CB GLU A 7 -5.386 3.905 -8.683 1.00 0.00 C ATOM 115 CG GLU A 7 -6.440 4.847 -9.267 1.00 0.00 C ATOM 116 CD GLU A 7 -5.771 5.822 -10.236 1.00 0.00 C ATOM 117 OE1 GLU A 7 -4.945 5.378 -11.016 1.00 0.00 O ATOM 118 OE2 GLU A 7 -6.095 6.996 -10.182 1.00 0.00 O ATOM 0 H GLU A 7 -6.292 4.965 -6.616 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.887 2.547 -7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.544 4.480 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.995 3.252 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.209 4.273 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.936 5.396 -8.467 1.00 0.00 H new ATOM 125 N TRP A 8 -3.992 2.498 -6.349 1.00 0.00 N ATOM 126 CA TRP A 8 -2.954 1.564 -5.829 1.00 0.00 C ATOM 127 C TRP A 8 -3.625 0.340 -5.201 1.00 0.00 C ATOM 128 O TRP A 8 -3.150 -0.771 -5.322 1.00 0.00 O ATOM 129 CB TRP A 8 -2.127 2.291 -4.771 1.00 0.00 C ATOM 130 CG TRP A 8 -0.961 1.453 -4.366 1.00 0.00 C ATOM 131 CD1 TRP A 8 0.215 1.378 -5.031 1.00 0.00 C ATOM 132 CD2 TRP A 8 -0.834 0.576 -3.211 1.00 0.00 C ATOM 133 NE1 TRP A 8 1.056 0.515 -4.353 1.00 0.00 N ATOM 134 CE2 TRP A 8 0.455 -0.004 -3.228 1.00 0.00 C ATOM 135 CE3 TRP A 8 -1.702 0.232 -2.161 1.00 0.00 C ATOM 136 CZ2 TRP A 8 0.869 -0.892 -2.238 1.00 0.00 C ATOM 137 CZ3 TRP A 8 -1.288 -0.665 -1.161 1.00 0.00 C ATOM 138 CH2 TRP A 8 -0.002 -1.226 -1.202 1.00 0.00 C ATOM 0 H TRP A 8 -3.854 3.478 -6.100 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.311 1.236 -6.646 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.779 3.246 -5.164 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.747 2.510 -3.901 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.457 1.906 -5.942 1.00 0.00 H new ATOM 0 HE1 TRP A 8 2.006 0.290 -4.650 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.693 0.659 -2.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.860 -1.320 -2.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.962 -0.924 -0.358 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.312 -1.915 -0.432 1.00 0.00 H new ATOM 149 N ASN A 9 -4.724 0.538 -4.525 1.00 0.00 N ATOM 150 CA ASN A 9 -5.426 -0.610 -3.879 1.00 0.00 C ATOM 151 C ASN A 9 -6.332 -1.305 -4.899 1.00 0.00 C ATOM 152 O ASN A 9 -6.475 -2.511 -4.895 1.00 0.00 O ATOM 153 CB ASN A 9 -6.274 -0.088 -2.716 1.00 0.00 C ATOM 154 CG ASN A 9 -6.805 -1.267 -1.899 1.00 0.00 C ATOM 155 OD1 ASN A 9 -7.961 -1.289 -1.526 1.00 0.00 O ATOM 156 ND2 ASN A 9 -6.004 -2.252 -1.599 1.00 0.00 N ATOM 0 H ASN A 9 -5.168 1.447 -4.391 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.691 -1.325 -3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.676 0.567 -2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.104 0.507 -3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.348 -3.041 -1.051 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.033 -2.234 -1.912 1.00 0.00 H new ATOM 163 N ALA A 10 -6.950 -0.554 -5.767 1.00 0.00 N ATOM 164 CA ALA A 10 -7.852 -1.172 -6.780 1.00 0.00 C ATOM 165 C ALA A 10 -7.065 -2.160 -7.647 1.00 0.00 C ATOM 166 O ALA A 10 -7.631 -2.887 -8.440 1.00 0.00 O ATOM 167 CB ALA A 10 -8.446 -0.076 -7.668 1.00 0.00 C ATOM 0 H ALA A 10 -6.870 0.462 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.653 -1.705 -6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.106 -0.526 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.014 0.622 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.642 0.458 -8.175 1.00 0.00 H new ATOM 173 N ARG A 11 -5.765 -2.194 -7.510 1.00 0.00 N ATOM 174 CA ARG A 11 -4.949 -3.137 -8.336 1.00 0.00 C ATOM 175 C ARG A 11 -4.818 -4.481 -7.612 1.00 0.00 C ATOM 176 O ARG A 11 -4.583 -5.503 -8.225 1.00 0.00 O ATOM 177 CB ARG A 11 -3.552 -2.547 -8.562 1.00 0.00 C ATOM 178 CG ARG A 11 -3.645 -1.324 -9.483 1.00 0.00 C ATOM 179 CD ARG A 11 -2.261 -0.999 -10.047 1.00 0.00 C ATOM 180 NE ARG A 11 -1.253 -1.046 -8.951 1.00 0.00 N ATOM 181 CZ ARG A 11 0.019 -1.099 -9.236 1.00 0.00 C ATOM 182 NH1 ARG A 11 0.409 -1.108 -10.481 1.00 0.00 N ATOM 183 NH2 ARG A 11 0.901 -1.144 -8.275 1.00 0.00 N ATOM 0 H ARG A 11 -5.233 -1.611 -6.864 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.443 -3.288 -9.296 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.109 -2.262 -7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.898 -3.298 -9.005 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.343 -1.521 -10.297 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.033 -0.469 -8.930 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.998 -1.713 -10.828 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.267 -0.011 -10.507 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.557 -1.037 -7.978 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.281 -1.074 -11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.404 -1.149 -10.704 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.596 -1.138 -7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.896 -1.185 -8.497 1.00 0.00 H new ATOM 197 N GLN A 12 -4.969 -4.492 -6.316 1.00 0.00 N ATOM 198 CA GLN A 12 -4.855 -5.777 -5.570 1.00 0.00 C ATOM 199 C GLN A 12 -6.092 -6.630 -5.857 1.00 0.00 C ATOM 200 O GLN A 12 -7.205 -6.142 -5.876 1.00 0.00 O ATOM 201 CB GLN A 12 -4.761 -5.487 -4.066 1.00 0.00 C ATOM 202 CG GLN A 12 -3.324 -5.102 -3.700 1.00 0.00 C ATOM 203 CD GLN A 12 -2.857 -3.950 -4.592 1.00 0.00 C ATOM 204 OE1 GLN A 12 -2.830 -2.812 -4.170 1.00 0.00 O ATOM 205 NE2 GLN A 12 -2.488 -4.200 -5.818 1.00 0.00 N ATOM 0 H GLN A 12 -5.165 -3.671 -5.744 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.960 -6.313 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.443 -4.680 -3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.068 -6.365 -3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.272 -4.808 -2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.664 -5.961 -3.823 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.511 -5.156 -6.173 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.177 -3.439 -6.422 1.00 0.00 H new ATOM 214 N ARG A 13 -5.907 -7.901 -6.086 1.00 0.00 N ATOM 215 CA ARG A 13 -7.074 -8.783 -6.377 1.00 0.00 C ATOM 216 C ARG A 13 -7.771 -9.166 -5.070 1.00 0.00 C ATOM 217 O ARG A 13 -8.778 -9.846 -5.070 1.00 0.00 O ATOM 218 CB ARG A 13 -6.594 -10.050 -7.093 1.00 0.00 C ATOM 219 CG ARG A 13 -5.548 -10.771 -6.231 1.00 0.00 C ATOM 220 CD ARG A 13 -4.836 -11.867 -7.057 1.00 0.00 C ATOM 221 NE ARG A 13 -4.682 -13.107 -6.230 1.00 0.00 N ATOM 222 CZ ARG A 13 -4.232 -13.056 -5.004 1.00 0.00 C ATOM 223 NH1 ARG A 13 -3.780 -11.936 -4.510 1.00 0.00 N ATOM 224 NH2 ARG A 13 -4.194 -14.141 -4.282 1.00 0.00 N ATOM 0 H ARG A 13 -5.000 -8.367 -6.084 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.777 -8.249 -7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.438 -10.712 -7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.165 -9.791 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.817 -10.054 -5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.029 -11.217 -5.360 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.410 -12.088 -7.957 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.858 -11.512 -7.382 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.934 -14.010 -6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.776 -11.091 -5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.431 -11.905 -3.552 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.515 -15.026 -4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.843 -14.105 -3.325 1.00 0.00 H new ATOM 238 N ARG A 14 -7.250 -8.730 -3.953 1.00 0.00 N ATOM 239 CA ARG A 14 -7.891 -9.069 -2.645 1.00 0.00 C ATOM 240 C ARG A 14 -7.629 -7.945 -1.638 1.00 0.00 C ATOM 241 O ARG A 14 -6.949 -8.134 -0.651 1.00 0.00 O ATOM 242 CB ARG A 14 -7.310 -10.382 -2.111 1.00 0.00 C ATOM 243 CG ARG A 14 -5.784 -10.374 -2.245 1.00 0.00 C ATOM 244 CD ARG A 14 -5.221 -11.711 -1.757 1.00 0.00 C ATOM 245 NE ARG A 14 -5.859 -12.078 -0.462 1.00 0.00 N ATOM 246 CZ ARG A 14 -5.763 -13.298 -0.011 1.00 0.00 C ATOM 247 NH1 ARG A 14 -5.107 -14.196 -0.694 1.00 0.00 N ATOM 248 NH2 ARG A 14 -6.323 -13.621 1.123 1.00 0.00 N ATOM 0 H ARG A 14 -6.410 -8.155 -3.888 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.965 -9.182 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.591 -10.515 -1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.727 -11.225 -2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.501 -10.206 -3.284 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.362 -9.555 -1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.407 -12.488 -2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.140 -11.639 -1.634 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.371 -11.375 0.072 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.670 -13.944 -1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.032 -15.150 -0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.836 -12.919 1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.248 -14.575 1.475 1.00 0.00 H new ATOM 262 N PRO A 15 -8.170 -6.781 -1.889 1.00 0.00 N ATOM 263 CA PRO A 15 -8.002 -5.600 -0.999 1.00 0.00 C ATOM 264 C PRO A 15 -9.053 -5.560 0.117 1.00 0.00 C ATOM 265 O PRO A 15 -9.767 -6.514 0.350 1.00 0.00 O ATOM 266 CB PRO A 15 -8.204 -4.435 -1.963 1.00 0.00 C ATOM 267 CG PRO A 15 -9.233 -4.933 -2.930 1.00 0.00 C ATOM 268 CD PRO A 15 -9.007 -6.451 -3.059 1.00 0.00 C ATOM 0 HA PRO A 15 -7.043 -5.596 -0.481 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.547 -3.541 -1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.276 -4.172 -2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.240 -4.719 -2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.128 -4.441 -3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -9.949 -6.999 -3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.506 -6.703 -3.994 1.00 0.00 H new ATOM 276 N ARG A 16 -9.155 -4.450 0.797 1.00 0.00 N ATOM 277 CA ARG A 16 -10.160 -4.318 1.892 1.00 0.00 C ATOM 278 C ARG A 16 -10.538 -2.841 2.037 1.00 0.00 C ATOM 279 O ARG A 16 -10.875 -2.183 1.074 1.00 0.00 O ATOM 280 CB ARG A 16 -9.569 -4.841 3.208 1.00 0.00 C ATOM 281 CG ARG A 16 -9.337 -6.358 3.108 1.00 0.00 C ATOM 282 CD ARG A 16 -9.129 -6.967 4.516 1.00 0.00 C ATOM 283 NE ARG A 16 -7.967 -7.916 4.503 1.00 0.00 N ATOM 284 CZ ARG A 16 -7.829 -8.813 3.559 1.00 0.00 C ATOM 285 NH1 ARG A 16 -8.753 -8.967 2.653 1.00 0.00 N ATOM 286 NH2 ARG A 16 -6.772 -9.579 3.543 1.00 0.00 N ATOM 0 H ARG A 16 -8.580 -3.622 0.640 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.048 -4.903 1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.629 -4.333 3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.245 -4.621 4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.190 -6.831 2.623 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.465 -6.559 2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.951 -6.173 5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.032 -7.490 4.831 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.270 -7.861 5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.591 -8.387 2.676 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.638 -9.668 1.921 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.058 -9.478 4.264 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.661 -10.279 2.810 1.00 0.00 H new ATOM 300 N SER A 17 -10.487 -2.310 3.230 1.00 0.00 N ATOM 301 CA SER A 17 -10.847 -0.873 3.425 1.00 0.00 C ATOM 302 C SER A 17 -9.612 0.004 3.200 1.00 0.00 C ATOM 303 O SER A 17 -8.488 -0.453 3.266 1.00 0.00 O ATOM 304 CB SER A 17 -11.361 -0.667 4.851 1.00 0.00 C ATOM 305 OG SER A 17 -12.500 -1.490 5.063 1.00 0.00 O ATOM 0 H SER A 17 -10.212 -2.807 4.077 1.00 0.00 H new ATOM 0 HA SER A 17 -11.623 -0.596 2.711 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.580 -0.914 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.620 0.380 5.009 1.00 0.00 H new ATOM 0 HG SER A 17 -12.831 -1.362 5.976 1.00 0.00 H new ATOM 311 N LEU A 18 -9.811 1.265 2.937 1.00 0.00 N ATOM 312 CA LEU A 18 -8.658 2.168 2.714 1.00 0.00 C ATOM 313 C LEU A 18 -7.917 2.359 4.038 1.00 0.00 C ATOM 314 O LEU A 18 -6.703 2.365 4.087 1.00 0.00 O ATOM 315 CB LEU A 18 -9.162 3.524 2.209 1.00 0.00 C ATOM 316 CG LEU A 18 -10.061 3.353 0.965 1.00 0.00 C ATOM 317 CD1 LEU A 18 -9.372 2.451 -0.066 1.00 0.00 C ATOM 318 CD2 LEU A 18 -11.439 2.763 1.338 1.00 0.00 C ATOM 0 H LEU A 18 -10.728 1.707 2.867 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.986 1.736 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.721 4.025 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.314 4.163 1.964 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.221 4.341 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.016 2.338 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.426 2.901 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.184 1.472 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.045 2.657 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.303 1.786 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.943 3.430 2.038 1.00 0.00 H new ATOM 330 N GLU A 19 -8.640 2.506 5.116 1.00 0.00 N ATOM 331 CA GLU A 19 -7.974 2.687 6.436 1.00 0.00 C ATOM 332 C GLU A 19 -7.304 1.379 6.842 1.00 0.00 C ATOM 333 O GLU A 19 -6.371 1.362 7.621 1.00 0.00 O ATOM 334 CB GLU A 19 -9.015 3.079 7.486 1.00 0.00 C ATOM 335 CG GLU A 19 -9.727 4.359 7.046 1.00 0.00 C ATOM 336 CD GLU A 19 -8.752 5.535 7.114 1.00 0.00 C ATOM 337 OE1 GLU A 19 -8.087 5.786 6.123 1.00 0.00 O ATOM 338 OE2 GLU A 19 -8.686 6.164 8.158 1.00 0.00 O ATOM 0 H GLU A 19 -9.660 2.508 5.139 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.224 3.475 6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.738 2.274 7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.533 3.232 8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.106 4.246 6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.587 4.548 7.688 1.00 0.00 H new ATOM 345 N THR A 20 -7.754 0.279 6.309 1.00 0.00 N ATOM 346 CA THR A 20 -7.114 -1.013 6.663 1.00 0.00 C ATOM 347 C THR A 20 -5.689 -0.987 6.113 1.00 0.00 C ATOM 348 O THR A 20 -4.763 -1.471 6.733 1.00 0.00 O ATOM 349 CB THR A 20 -7.904 -2.173 6.042 1.00 0.00 C ATOM 350 OG1 THR A 20 -9.125 -2.342 6.748 1.00 0.00 O ATOM 351 CG2 THR A 20 -7.088 -3.466 6.122 1.00 0.00 C ATOM 0 H THR A 20 -8.530 0.220 5.650 1.00 0.00 H new ATOM 0 HA THR A 20 -7.100 -1.155 7.744 1.00 0.00 H new ATOM 0 HB THR A 20 -8.110 -1.945 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.632 -3.081 6.352 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.657 -4.283 5.679 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.152 -3.339 5.579 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.874 -3.697 7.165 1.00 0.00 H new ATOM 359 N VAL A 21 -5.503 -0.398 4.962 1.00 0.00 N ATOM 360 CA VAL A 21 -4.133 -0.314 4.387 1.00 0.00 C ATOM 361 C VAL A 21 -3.276 0.573 5.294 1.00 0.00 C ATOM 362 O VAL A 21 -2.119 0.291 5.536 1.00 0.00 O ATOM 363 CB VAL A 21 -4.197 0.288 2.976 1.00 0.00 C ATOM 364 CG1 VAL A 21 -2.786 0.666 2.508 1.00 0.00 C ATOM 365 CG2 VAL A 21 -4.786 -0.743 2.011 1.00 0.00 C ATOM 0 H VAL A 21 -6.239 0.027 4.398 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.695 -1.310 4.322 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.824 1.179 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.837 1.093 1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.359 1.399 3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.157 -0.224 2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.833 -0.318 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.156 -1.632 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.790 -1.014 2.337 1.00 0.00 H new ATOM 375 N ARG A 22 -3.832 1.644 5.804 1.00 0.00 N ATOM 376 CA ARG A 22 -3.034 2.531 6.695 1.00 0.00 C ATOM 377 C ARG A 22 -2.414 1.683 7.805 1.00 0.00 C ATOM 378 O ARG A 22 -1.306 1.924 8.238 1.00 0.00 O ATOM 379 CB ARG A 22 -3.939 3.603 7.309 1.00 0.00 C ATOM 380 CG ARG A 22 -4.247 4.676 6.263 1.00 0.00 C ATOM 381 CD ARG A 22 -5.148 5.748 6.878 1.00 0.00 C ATOM 382 NE ARG A 22 -4.441 6.399 8.016 1.00 0.00 N ATOM 383 CZ ARG A 22 -4.886 7.528 8.499 1.00 0.00 C ATOM 384 NH1 ARG A 22 -5.949 8.083 7.985 1.00 0.00 N ATOM 385 NH2 ARG A 22 -4.266 8.100 9.496 1.00 0.00 N ATOM 0 H ARG A 22 -4.795 1.938 5.642 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.249 3.021 6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.865 3.151 7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.451 4.053 8.174 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.321 5.126 5.906 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.737 4.226 5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.411 6.492 6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.080 5.300 7.223 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.611 5.964 8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.432 7.635 7.206 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.297 8.965 8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.435 7.665 9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.613 8.982 9.874 1.00 0.00 H new ATOM 399 N ARG A 23 -3.115 0.677 8.255 1.00 0.00 N ATOM 400 CA ARG A 23 -2.558 -0.196 9.317 1.00 0.00 C ATOM 401 C ARG A 23 -1.365 -0.948 8.740 1.00 0.00 C ATOM 402 O ARG A 23 -0.343 -1.103 9.378 1.00 0.00 O ATOM 403 CB ARG A 23 -3.622 -1.196 9.776 1.00 0.00 C ATOM 404 CG ARG A 23 -4.808 -0.442 10.380 1.00 0.00 C ATOM 405 CD ARG A 23 -5.944 -1.426 10.667 1.00 0.00 C ATOM 406 NE ARG A 23 -5.492 -2.422 11.680 1.00 0.00 N ATOM 407 CZ ARG A 23 -6.367 -3.172 12.293 1.00 0.00 C ATOM 408 NH1 ARG A 23 -7.636 -3.054 12.016 1.00 0.00 N ATOM 409 NH2 ARG A 23 -5.972 -4.041 13.182 1.00 0.00 N ATOM 0 H ARG A 23 -4.049 0.426 7.930 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.248 0.405 10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.954 -1.801 8.933 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.200 -1.880 10.512 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.505 0.058 11.300 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.148 0.333 9.693 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.820 -0.891 11.033 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.241 -1.933 9.749 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.499 -2.517 11.894 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.945 -2.375 11.320 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.319 -3.640 12.495 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.980 -4.134 13.398 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.656 -4.627 13.661 1.00 0.00 H new ATOM 423 N TRP A 24 -1.489 -1.413 7.528 1.00 0.00 N ATOM 424 CA TRP A 24 -0.366 -2.151 6.900 1.00 0.00 C ATOM 425 C TRP A 24 0.870 -1.252 6.873 1.00 0.00 C ATOM 426 O TRP A 24 1.950 -1.646 7.266 1.00 0.00 O ATOM 427 CB TRP A 24 -0.739 -2.549 5.470 1.00 0.00 C ATOM 428 CG TRP A 24 -2.018 -3.333 5.457 1.00 0.00 C ATOM 429 CD1 TRP A 24 -2.687 -3.787 6.548 1.00 0.00 C ATOM 430 CD2 TRP A 24 -2.791 -3.764 4.301 1.00 0.00 C ATOM 431 NE1 TRP A 24 -3.817 -4.467 6.128 1.00 0.00 N ATOM 432 CE2 TRP A 24 -3.924 -4.480 4.752 1.00 0.00 C ATOM 433 CE3 TRP A 24 -2.618 -3.603 2.915 1.00 0.00 C ATOM 434 CZ2 TRP A 24 -4.854 -5.017 3.859 1.00 0.00 C ATOM 435 CZ3 TRP A 24 -3.550 -4.142 2.014 1.00 0.00 C ATOM 436 CH2 TRP A 24 -4.665 -4.848 2.485 1.00 0.00 C ATOM 0 H TRP A 24 -2.322 -1.312 6.947 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.156 -3.052 7.477 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.847 -1.656 4.855 1.00 0.00 H new ATOM 0 HB3 TRP A 24 0.063 -3.143 5.031 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.387 -3.641 7.575 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.489 -4.905 6.758 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.762 -3.061 2.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.713 -5.559 4.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.407 -4.012 0.952 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.378 -5.261 1.787 1.00 0.00 H new ATOM 447 N VAL A 25 0.716 -0.042 6.409 1.00 0.00 N ATOM 448 CA VAL A 25 1.878 0.889 6.350 1.00 0.00 C ATOM 449 C VAL A 25 2.443 1.092 7.758 1.00 0.00 C ATOM 450 O VAL A 25 3.618 1.350 7.933 1.00 0.00 O ATOM 451 CB VAL A 25 1.423 2.238 5.789 1.00 0.00 C ATOM 452 CG1 VAL A 25 2.590 3.227 5.822 1.00 0.00 C ATOM 453 CG2 VAL A 25 0.951 2.057 4.346 1.00 0.00 C ATOM 0 H VAL A 25 -0.165 0.342 6.068 1.00 0.00 H new ATOM 0 HA VAL A 25 2.648 0.465 5.705 1.00 0.00 H new ATOM 0 HB VAL A 25 0.603 2.624 6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.264 4.187 5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.927 3.358 6.850 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.411 2.842 5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.627 3.018 3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.771 1.670 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.118 1.354 4.321 1.00 0.00 H new ATOM 463 N ARG A 26 1.620 0.978 8.764 1.00 0.00 N ATOM 464 CA ARG A 26 2.118 1.163 10.157 1.00 0.00 C ATOM 465 C ARG A 26 3.136 0.069 10.479 1.00 0.00 C ATOM 466 O ARG A 26 4.227 0.337 10.940 1.00 0.00 O ATOM 467 CB ARG A 26 0.943 1.073 11.138 1.00 0.00 C ATOM 468 CG ARG A 26 1.380 1.551 12.537 1.00 0.00 C ATOM 469 CD ARG A 26 1.237 3.075 12.650 1.00 0.00 C ATOM 470 NE ARG A 26 -0.172 3.469 12.364 1.00 0.00 N ATOM 471 CZ ARG A 26 -0.598 4.657 12.700 1.00 0.00 C ATOM 472 NH1 ARG A 26 0.210 5.496 13.287 1.00 0.00 N ATOM 473 NH2 ARG A 26 -1.830 5.004 12.447 1.00 0.00 N ATOM 0 H ARG A 26 0.626 0.765 8.682 1.00 0.00 H new ATOM 0 HA ARG A 26 2.591 2.141 10.248 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.113 1.683 10.780 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.583 0.046 11.193 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.773 1.065 13.301 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.415 1.262 12.720 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.521 3.404 13.650 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.912 3.566 11.949 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.803 2.811 11.906 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.173 5.224 13.483 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.121 6.424 13.550 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.461 4.347 11.987 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.163 5.932 12.709 1.00 0.00 H new ATOM 487 N GLU A 27 2.786 -1.162 10.235 1.00 0.00 N ATOM 488 CA GLU A 27 3.731 -2.279 10.522 1.00 0.00 C ATOM 489 C GLU A 27 4.764 -2.366 9.396 1.00 0.00 C ATOM 490 O GLU A 27 5.395 -3.385 9.197 1.00 0.00 O ATOM 491 CB GLU A 27 2.955 -3.595 10.609 1.00 0.00 C ATOM 492 CG GLU A 27 2.201 -3.658 11.939 1.00 0.00 C ATOM 493 CD GLU A 27 1.308 -2.424 12.078 1.00 0.00 C ATOM 494 OE1 GLU A 27 0.354 -2.319 11.324 1.00 0.00 O ATOM 495 OE2 GLU A 27 1.593 -1.604 12.936 1.00 0.00 O ATOM 0 H GLU A 27 1.885 -1.445 9.849 1.00 0.00 H new ATOM 0 HA GLU A 27 4.238 -2.097 11.470 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.254 -3.671 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.640 -4.439 10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.597 -4.564 11.984 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.907 -3.704 12.768 1.00 0.00 H new ATOM 502 N SER A 28 4.943 -1.299 8.665 1.00 0.00 N ATOM 503 CA SER A 28 5.935 -1.301 7.554 1.00 0.00 C ATOM 504 C SER A 28 5.801 -2.594 6.738 1.00 0.00 C ATOM 505 O SER A 28 6.774 -3.264 6.450 1.00 0.00 O ATOM 506 CB SER A 28 7.338 -1.187 8.149 1.00 0.00 C ATOM 507 OG SER A 28 7.635 0.183 8.385 1.00 0.00 O ATOM 0 H SER A 28 4.441 -0.420 8.792 1.00 0.00 H new ATOM 0 HA SER A 28 5.754 -0.457 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.398 -1.750 9.080 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.071 -1.618 7.468 1.00 0.00 H new ATOM 0 HG SER A 28 8.533 0.262 8.768 1.00 0.00 H new ATOM 513 N ARG A 29 4.603 -2.948 6.357 1.00 0.00 N ATOM 514 CA ARG A 29 4.408 -4.192 5.554 1.00 0.00 C ATOM 515 C ARG A 29 4.537 -3.841 4.068 1.00 0.00 C ATOM 516 O ARG A 29 5.050 -4.610 3.283 1.00 0.00 O ATOM 517 CB ARG A 29 3.007 -4.777 5.844 1.00 0.00 C ATOM 518 CG ARG A 29 3.093 -5.859 6.938 1.00 0.00 C ATOM 519 CD ARG A 29 3.887 -7.088 6.426 1.00 0.00 C ATOM 520 NE ARG A 29 3.155 -8.355 6.753 1.00 0.00 N ATOM 521 CZ ARG A 29 2.653 -8.565 7.943 1.00 0.00 C ATOM 522 NH1 ARG A 29 2.848 -7.706 8.905 1.00 0.00 N ATOM 523 NH2 ARG A 29 1.973 -9.654 8.174 1.00 0.00 N ATOM 0 H ARG A 29 3.750 -2.430 6.567 1.00 0.00 H new ATOM 0 HA ARG A 29 5.160 -4.935 5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.333 -3.982 6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.589 -5.204 4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.577 -5.450 7.825 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.090 -6.165 7.235 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.032 -7.012 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.877 -7.105 6.881 1.00 0.00 H new ATOM 0 HE ARG A 29 3.046 -9.069 6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.395 -6.863 8.733 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.453 -7.877 9.830 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.835 -10.337 7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.579 -9.823 9.100 1.00 0.00 H new ATOM 537 N ILE A 30 4.081 -2.680 3.680 1.00 0.00 N ATOM 538 CA ILE A 30 4.183 -2.276 2.247 1.00 0.00 C ATOM 539 C ILE A 30 5.552 -1.645 2.003 1.00 0.00 C ATOM 540 O ILE A 30 6.218 -1.218 2.926 1.00 0.00 O ATOM 541 CB ILE A 30 3.090 -1.253 1.927 1.00 0.00 C ATOM 542 CG1 ILE A 30 1.720 -1.915 2.108 1.00 0.00 C ATOM 543 CG2 ILE A 30 3.252 -0.771 0.481 1.00 0.00 C ATOM 544 CD1 ILE A 30 0.611 -0.871 1.962 1.00 0.00 C ATOM 0 H ILE A 30 3.642 -1.993 4.294 1.00 0.00 H new ATOM 0 HA ILE A 30 4.060 -3.151 1.609 1.00 0.00 H new ATOM 0 HB ILE A 30 3.171 -0.398 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.588 -2.704 1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.661 -2.385 3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.475 -0.042 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.231 -0.308 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.166 -1.620 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.359 -1.350 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.738 -0.097 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.663 -0.421 0.971 1.00 0.00 H new ATOM 556 N PHE A 31 5.983 -1.567 0.772 1.00 0.00 N ATOM 557 CA PHE A 31 7.312 -0.944 0.504 1.00 0.00 C ATOM 558 C PHE A 31 7.450 -0.621 -1.005 1.00 0.00 C ATOM 559 O PHE A 31 7.095 -1.437 -1.832 1.00 0.00 O ATOM 560 CB PHE A 31 8.427 -1.912 0.956 1.00 0.00 C ATOM 561 CG PHE A 31 8.768 -2.906 -0.140 1.00 0.00 C ATOM 562 CD1 PHE A 31 7.897 -3.964 -0.429 1.00 0.00 C ATOM 563 CD2 PHE A 31 9.959 -2.763 -0.867 1.00 0.00 C ATOM 564 CE1 PHE A 31 8.218 -4.879 -1.442 1.00 0.00 C ATOM 565 CE2 PHE A 31 10.278 -3.678 -1.878 1.00 0.00 C ATOM 566 CZ PHE A 31 9.408 -4.735 -2.165 1.00 0.00 C ATOM 0 H PHE A 31 5.480 -1.903 -0.050 1.00 0.00 H new ATOM 0 HA PHE A 31 7.401 -0.012 1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.318 -1.345 1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.107 -2.448 1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.978 -4.075 0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.631 -1.946 -0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.547 -5.695 -1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.196 -3.568 -2.436 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.654 -5.440 -2.945 1.00 0.00 H new ATOM 576 N PRO A 32 7.977 0.536 -1.384 1.00 0.00 N ATOM 577 CA PRO A 32 8.452 1.620 -0.459 1.00 0.00 C ATOM 578 C PRO A 32 7.269 2.360 0.194 1.00 0.00 C ATOM 579 O PRO A 32 6.136 2.205 -0.217 1.00 0.00 O ATOM 580 CB PRO A 32 9.262 2.574 -1.379 1.00 0.00 C ATOM 581 CG PRO A 32 9.385 1.861 -2.696 1.00 0.00 C ATOM 582 CD PRO A 32 8.187 0.927 -2.781 1.00 0.00 C ATOM 0 HA PRO A 32 9.045 1.227 0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.752 3.530 -1.497 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.244 2.786 -0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.387 2.569 -3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.320 1.303 -2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.313 1.428 -3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.391 0.065 -3.416 1.00 0.00 H new ATOM 590 N PRO A 33 7.529 3.150 1.202 1.00 0.00 N ATOM 591 CA PRO A 33 6.464 3.915 1.916 1.00 0.00 C ATOM 592 C PRO A 33 5.970 5.120 1.089 1.00 0.00 C ATOM 593 O PRO A 33 6.720 5.686 0.319 1.00 0.00 O ATOM 594 CB PRO A 33 7.164 4.379 3.200 1.00 0.00 C ATOM 595 CG PRO A 33 8.607 4.495 2.822 1.00 0.00 C ATOM 596 CD PRO A 33 8.863 3.405 1.774 1.00 0.00 C ATOM 0 HA PRO A 33 5.573 3.316 2.102 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.767 5.333 3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.023 3.663 4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.825 5.483 2.417 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.250 4.358 3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.568 3.739 1.013 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.284 2.506 2.225 1.00 0.00 H new ATOM 604 N PRO A 34 4.725 5.518 1.244 1.00 0.00 N ATOM 605 CA PRO A 34 4.157 6.678 0.491 1.00 0.00 C ATOM 606 C PRO A 34 4.605 8.023 1.077 1.00 0.00 C ATOM 607 O PRO A 34 5.220 8.083 2.124 1.00 0.00 O ATOM 608 CB PRO A 34 2.645 6.493 0.660 1.00 0.00 C ATOM 609 CG PRO A 34 2.501 5.840 1.995 1.00 0.00 C ATOM 610 CD PRO A 34 3.716 4.916 2.142 1.00 0.00 C ATOM 0 HA PRO A 34 4.485 6.699 -0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.121 7.448 0.626 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.229 5.872 -0.134 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.476 6.582 2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.571 5.275 2.056 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.069 4.879 3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.479 3.893 1.849 1.00 0.00 H new ATOM 618 N VAL A 35 4.295 9.103 0.409 1.00 0.00 N ATOM 619 CA VAL A 35 4.692 10.446 0.924 1.00 0.00 C ATOM 620 C VAL A 35 3.627 10.941 1.904 1.00 0.00 C ATOM 621 O VAL A 35 2.490 11.153 1.538 1.00 0.00 O ATOM 622 CB VAL A 35 4.803 11.427 -0.250 1.00 0.00 C ATOM 623 CG1 VAL A 35 4.947 12.861 0.275 1.00 0.00 C ATOM 624 CG2 VAL A 35 6.029 11.072 -1.094 1.00 0.00 C ATOM 0 H VAL A 35 3.783 9.113 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 35 5.654 10.378 1.432 1.00 0.00 H new ATOM 0 HB VAL A 35 3.902 11.358 -0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.025 13.550 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.074 13.118 0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.844 12.935 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.110 11.768 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.926 11.138 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.926 10.057 -1.477 1.00 0.00 H new ATOM 634 N LYS A 36 3.988 11.134 3.143 1.00 0.00 N ATOM 635 CA LYS A 36 3.001 11.620 4.136 1.00 0.00 C ATOM 636 C LYS A 36 2.739 13.107 3.874 1.00 0.00 C ATOM 637 O LYS A 36 3.197 13.970 4.596 1.00 0.00 O ATOM 638 CB LYS A 36 3.564 11.417 5.557 1.00 0.00 C ATOM 639 CG LYS A 36 4.393 10.108 5.642 1.00 0.00 C ATOM 640 CD LYS A 36 5.896 10.422 5.579 1.00 0.00 C ATOM 641 CE LYS A 36 6.697 9.120 5.651 1.00 0.00 C ATOM 642 NZ LYS A 36 6.187 8.166 4.626 1.00 0.00 N ATOM 0 H LYS A 36 4.927 10.974 3.507 1.00 0.00 H new ATOM 0 HA LYS A 36 2.067 11.065 4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.190 12.267 5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.745 11.381 6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.163 9.584 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.119 9.443 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.128 10.953 4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.175 11.078 6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.755 9.321 5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.611 8.682 6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.928 7.473 4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.352 7.670 4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.924 8.688 3.766 1.00 0.00 H new ATOM 656 N ASP A 37 2.016 13.408 2.832 1.00 0.00 N ATOM 657 CA ASP A 37 1.734 14.835 2.503 1.00 0.00 C ATOM 658 C ASP A 37 0.883 15.467 3.614 1.00 0.00 C ATOM 659 O ASP A 37 -0.255 15.840 3.408 1.00 0.00 O ATOM 660 CB ASP A 37 0.997 14.915 1.155 1.00 0.00 C ATOM 661 CG ASP A 37 1.452 13.769 0.250 1.00 0.00 C ATOM 662 OD1 ASP A 37 1.014 12.655 0.476 1.00 0.00 O ATOM 663 OD2 ASP A 37 2.224 14.029 -0.658 1.00 0.00 O ATOM 0 H ASP A 37 1.607 12.727 2.192 1.00 0.00 H new ATOM 0 HA ASP A 37 2.673 15.384 2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.080 14.860 1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.199 15.873 0.675 1.00 0.00 H new ATOM 668 N GLY A 38 1.434 15.602 4.788 1.00 0.00 N ATOM 669 CA GLY A 38 0.668 16.219 5.908 1.00 0.00 C ATOM 670 C GLY A 38 -0.465 15.290 6.349 1.00 0.00 C ATOM 671 O GLY A 38 -0.615 14.994 7.518 1.00 0.00 O ATOM 0 H GLY A 38 2.383 15.311 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.334 16.416 6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.259 17.179 5.593 1.00 0.00 H new ATOM 675 N ARG A 39 -1.272 14.831 5.427 1.00 0.00 N ATOM 676 CA ARG A 39 -2.405 13.928 5.804 1.00 0.00 C ATOM 677 C ARG A 39 -2.661 12.905 4.692 1.00 0.00 C ATOM 678 O ARG A 39 -3.155 11.823 4.939 1.00 0.00 O ATOM 679 CB ARG A 39 -3.670 14.762 6.014 1.00 0.00 C ATOM 680 CG ARG A 39 -3.386 15.884 7.016 1.00 0.00 C ATOM 681 CD ARG A 39 -4.695 16.586 7.381 1.00 0.00 C ATOM 682 NE ARG A 39 -5.668 15.583 7.899 1.00 0.00 N ATOM 683 CZ ARG A 39 -6.742 15.977 8.526 1.00 0.00 C ATOM 684 NH1 ARG A 39 -6.966 17.250 8.702 1.00 0.00 N ATOM 685 NH2 ARG A 39 -7.593 15.097 8.978 1.00 0.00 N ATOM 0 H ARG A 39 -1.197 15.041 4.432 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.146 13.402 6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.001 15.184 5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.478 14.129 6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.918 15.476 7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.684 16.600 6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.511 17.353 8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.106 17.090 6.506 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.494 14.587 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.301 17.938 8.349 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.806 17.557 9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.418 14.101 8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.433 15.405 9.468 1.00 0.00 H new ATOM 699 N GLU A 40 -2.338 13.231 3.469 1.00 0.00 N ATOM 700 CA GLU A 40 -2.576 12.267 2.354 1.00 0.00 C ATOM 701 C GLU A 40 -1.386 11.319 2.226 1.00 0.00 C ATOM 702 O GLU A 40 -0.409 11.419 2.942 1.00 0.00 O ATOM 703 CB GLU A 40 -2.772 13.039 1.033 1.00 0.00 C ATOM 704 CG GLU A 40 -4.257 13.327 0.813 1.00 0.00 C ATOM 705 CD GLU A 40 -4.809 14.118 2.000 1.00 0.00 C ATOM 706 OE1 GLU A 40 -4.899 13.549 3.076 1.00 0.00 O ATOM 707 OE2 GLU A 40 -5.132 15.279 1.813 1.00 0.00 O ATOM 0 H GLU A 40 -1.921 14.120 3.194 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.473 11.686 2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.212 13.974 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.378 12.457 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.395 13.892 -0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.806 12.392 0.699 1.00 0.00 H new ATOM 714 N TYR A 41 -1.475 10.394 1.310 1.00 0.00 N ATOM 715 CA TYR A 41 -0.367 9.415 1.112 1.00 0.00 C ATOM 716 C TYR A 41 -0.250 9.068 -0.372 1.00 0.00 C ATOM 717 O TYR A 41 -1.074 8.366 -0.922 1.00 0.00 O ATOM 718 CB TYR A 41 -0.668 8.146 1.913 1.00 0.00 C ATOM 719 CG TYR A 41 -0.493 8.434 3.387 1.00 0.00 C ATOM 720 CD1 TYR A 41 0.779 8.727 3.892 1.00 0.00 C ATOM 721 CD2 TYR A 41 -1.599 8.408 4.247 1.00 0.00 C ATOM 722 CE1 TYR A 41 0.946 8.995 5.256 1.00 0.00 C ATOM 723 CE2 TYR A 41 -1.431 8.677 5.610 1.00 0.00 C ATOM 724 CZ TYR A 41 -0.158 8.971 6.115 1.00 0.00 C ATOM 725 OH TYR A 41 0.007 9.236 7.459 1.00 0.00 O ATOM 0 H TYR A 41 -2.273 10.273 0.686 1.00 0.00 H new ATOM 0 HA TYR A 41 0.572 9.850 1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.686 7.809 1.715 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.000 7.341 1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.632 8.746 3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.581 8.180 3.858 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.928 9.220 5.645 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.283 8.658 6.273 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.860 9.179 7.912 1.00 0.00 H new ATOM 735 N LEU A 42 0.775 9.549 -1.024 1.00 0.00 N ATOM 736 CA LEU A 42 0.950 9.238 -2.472 1.00 0.00 C ATOM 737 C LEU A 42 1.604 7.864 -2.609 1.00 0.00 C ATOM 738 O LEU A 42 2.700 7.639 -2.137 1.00 0.00 O ATOM 739 CB LEU A 42 1.841 10.299 -3.123 1.00 0.00 C ATOM 740 CG LEU A 42 1.332 11.697 -2.756 1.00 0.00 C ATOM 741 CD1 LEU A 42 2.144 12.747 -3.520 1.00 0.00 C ATOM 742 CD2 LEU A 42 -0.153 11.824 -3.129 1.00 0.00 C ATOM 0 H LEU A 42 1.497 10.143 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.021 9.235 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.871 10.177 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.840 10.174 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 42 1.446 11.854 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.785 13.743 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.197 12.660 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.029 12.587 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.510 12.820 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.274 11.666 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.730 11.076 -2.585 1.00 0.00 H new ATOM 754 N PHE A 43 0.936 6.938 -3.243 1.00 0.00 N ATOM 755 CA PHE A 43 1.510 5.570 -3.406 1.00 0.00 C ATOM 756 C PHE A 43 2.216 5.471 -4.760 1.00 0.00 C ATOM 757 O PHE A 43 1.589 5.342 -5.791 1.00 0.00 O ATOM 758 CB PHE A 43 0.374 4.536 -3.320 1.00 0.00 C ATOM 759 CG PHE A 43 0.075 4.241 -1.867 1.00 0.00 C ATOM 760 CD1 PHE A 43 -0.770 5.085 -1.133 1.00 0.00 C ATOM 761 CD2 PHE A 43 0.668 3.135 -1.248 1.00 0.00 C ATOM 762 CE1 PHE A 43 -1.019 4.819 0.218 1.00 0.00 C ATOM 763 CE2 PHE A 43 0.412 2.867 0.101 1.00 0.00 C ATOM 764 CZ PHE A 43 -0.430 3.712 0.834 1.00 0.00 C ATOM 0 H PHE A 43 0.013 7.070 -3.657 1.00 0.00 H new ATOM 0 HA PHE A 43 2.235 5.373 -2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.518 4.917 -3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.660 3.620 -3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.228 5.939 -1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.324 2.488 -1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.667 5.470 0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.864 2.009 0.577 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.624 3.508 1.877 1.00 0.00 H new ATOM 774 N HIS A 44 3.519 5.526 -4.760 1.00 0.00 N ATOM 775 CA HIS A 44 4.268 5.433 -6.043 1.00 0.00 C ATOM 776 C HIS A 44 3.939 4.101 -6.720 1.00 0.00 C ATOM 777 O HIS A 44 3.391 3.204 -6.112 1.00 0.00 O ATOM 778 CB HIS A 44 5.770 5.509 -5.764 1.00 0.00 C ATOM 779 CG HIS A 44 6.518 5.622 -7.065 1.00 0.00 C ATOM 780 ND1 HIS A 44 7.642 4.859 -7.340 1.00 0.00 N ATOM 781 CD2 HIS A 44 6.315 6.404 -8.176 1.00 0.00 C ATOM 782 CE1 HIS A 44 8.069 5.195 -8.572 1.00 0.00 C ATOM 783 NE2 HIS A 44 7.295 6.132 -9.125 1.00 0.00 N ATOM 0 H HIS A 44 4.097 5.631 -3.926 1.00 0.00 H new ATOM 0 HA HIS A 44 3.982 6.257 -6.697 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.990 6.368 -5.130 1.00 0.00 H new ATOM 0 HB3 HIS A 44 6.095 4.621 -5.221 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.516 7.121 -8.295 1.00 0.00 H new ATOM 0 HE1 HIS A 44 8.932 4.760 -9.054 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.400 6.557 -10.046 1.00 0.00 H new ATOM 791 N GLU A 45 4.272 3.965 -7.973 1.00 0.00 N ATOM 792 CA GLU A 45 3.977 2.690 -8.687 1.00 0.00 C ATOM 793 C GLU A 45 4.924 1.596 -8.190 1.00 0.00 C ATOM 794 O GLU A 45 4.895 0.477 -8.662 1.00 0.00 O ATOM 795 CB GLU A 45 4.179 2.893 -10.190 1.00 0.00 C ATOM 796 CG GLU A 45 5.616 3.343 -10.456 1.00 0.00 C ATOM 797 CD GLU A 45 5.766 3.734 -11.926 1.00 0.00 C ATOM 798 OE1 GLU A 45 4.993 4.561 -12.380 1.00 0.00 O ATOM 799 OE2 GLU A 45 6.650 3.199 -12.575 1.00 0.00 O ATOM 0 H GLU A 45 4.735 4.680 -8.534 1.00 0.00 H new ATOM 0 HA GLU A 45 2.946 2.394 -8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.973 1.965 -10.724 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.478 3.639 -10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.867 4.189 -9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.311 2.540 -10.210 1.00 0.00 H new ATOM 806 N SER A 46 5.768 1.912 -7.241 1.00 0.00 N ATOM 807 CA SER A 46 6.728 0.897 -6.708 1.00 0.00 C ATOM 808 C SER A 46 6.195 0.316 -5.396 1.00 0.00 C ATOM 809 O SER A 46 6.730 -0.641 -4.870 1.00 0.00 O ATOM 810 CB SER A 46 8.077 1.567 -6.450 1.00 0.00 C ATOM 811 OG SER A 46 7.892 2.673 -5.577 1.00 0.00 O ATOM 0 H SER A 46 5.834 2.834 -6.810 1.00 0.00 H new ATOM 0 HA SER A 46 6.845 0.095 -7.436 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.772 0.853 -6.009 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.516 1.900 -7.390 1.00 0.00 H new ATOM 0 HG SER A 46 8.018 3.508 -6.075 1.00 0.00 H new ATOM 817 N ALA A 47 5.148 0.881 -4.859 1.00 0.00 N ATOM 818 CA ALA A 47 4.593 0.353 -3.584 1.00 0.00 C ATOM 819 C ALA A 47 3.881 -0.972 -3.855 1.00 0.00 C ATOM 820 O ALA A 47 3.190 -1.126 -4.842 1.00 0.00 O ATOM 821 CB ALA A 47 3.603 1.366 -3.000 1.00 0.00 C ATOM 0 H ALA A 47 4.655 1.684 -5.249 1.00 0.00 H new ATOM 0 HA ALA A 47 5.400 0.190 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.196 0.980 -2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.116 2.309 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.791 1.531 -3.708 1.00 0.00 H new ATOM 827 N VAL A 48 4.046 -1.928 -2.983 1.00 0.00 N ATOM 828 CA VAL A 48 3.384 -3.249 -3.179 1.00 0.00 C ATOM 829 C VAL A 48 3.194 -3.919 -1.816 1.00 0.00 C ATOM 830 O VAL A 48 3.996 -3.752 -0.920 1.00 0.00 O ATOM 831 CB VAL A 48 4.275 -4.139 -4.043 1.00 0.00 C ATOM 832 CG1 VAL A 48 4.384 -3.554 -5.453 1.00 0.00 C ATOM 833 CG2 VAL A 48 5.664 -4.211 -3.408 1.00 0.00 C ATOM 0 H VAL A 48 4.614 -1.851 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 48 2.419 -3.106 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 48 3.844 -5.138 -4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.021 -4.194 -6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.392 -3.496 -5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.817 -2.555 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.310 -4.844 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.089 -3.209 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.584 -4.631 -2.405 1.00 0.00 H new ATOM 843 N LYS A 49 2.150 -4.685 -1.651 1.00 0.00 N ATOM 844 CA LYS A 49 1.935 -5.365 -0.342 1.00 0.00 C ATOM 845 C LYS A 49 2.796 -6.625 -0.279 1.00 0.00 C ATOM 846 O LYS A 49 2.799 -7.438 -1.181 1.00 0.00 O ATOM 847 CB LYS A 49 0.449 -5.728 -0.178 1.00 0.00 C ATOM 848 CG LYS A 49 -0.052 -6.563 -1.385 1.00 0.00 C ATOM 849 CD LYS A 49 -0.135 -8.051 -1.012 1.00 0.00 C ATOM 850 CE LYS A 49 -0.275 -8.891 -2.285 1.00 0.00 C ATOM 851 NZ LYS A 49 -1.521 -8.499 -3.002 1.00 0.00 N ATOM 0 H LYS A 49 1.441 -4.869 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 49 2.221 -4.694 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.308 -6.292 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.144 -4.818 -0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.032 -6.206 -1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.622 -6.431 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.758 -8.349 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.986 -8.225 -0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.591 -8.741 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.305 -9.951 -2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.820 -9.274 -3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.273 -8.303 -2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.342 -7.646 -3.569 1.00 0.00 H new ATOM 865 N VAL A 50 3.539 -6.784 0.783 1.00 0.00 N ATOM 866 CA VAL A 50 4.416 -7.982 0.921 1.00 0.00 C ATOM 867 C VAL A 50 3.619 -9.111 1.576 1.00 0.00 C ATOM 868 O VAL A 50 2.587 -8.887 2.175 1.00 0.00 O ATOM 869 CB VAL A 50 5.633 -7.645 1.793 1.00 0.00 C ATOM 870 CG1 VAL A 50 6.670 -8.766 1.684 1.00 0.00 C ATOM 871 CG2 VAL A 50 6.272 -6.327 1.328 1.00 0.00 C ATOM 0 H VAL A 50 3.576 -6.131 1.566 1.00 0.00 H new ATOM 0 HA VAL A 50 4.761 -8.293 -0.065 1.00 0.00 H new ATOM 0 HB VAL A 50 5.304 -7.542 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.533 -8.525 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.230 -9.703 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.986 -8.869 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.134 -6.100 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.593 -6.424 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.543 -5.521 1.408 1.00 0.00 H new ATOM 881 N ASP A 51 4.093 -10.323 1.459 1.00 0.00 N ATOM 882 CA ASP A 51 3.375 -11.491 2.063 1.00 0.00 C ATOM 883 C ASP A 51 4.129 -11.966 3.309 1.00 0.00 C ATOM 884 O ASP A 51 4.176 -11.286 4.315 1.00 0.00 O ATOM 885 CB ASP A 51 3.317 -12.626 1.038 1.00 0.00 C ATOM 886 CG ASP A 51 2.571 -12.147 -0.210 1.00 0.00 C ATOM 887 OD1 ASP A 51 1.873 -11.151 -0.113 1.00 0.00 O ATOM 888 OD2 ASP A 51 2.710 -12.786 -1.240 1.00 0.00 O ATOM 0 H ASP A 51 4.955 -10.559 0.967 1.00 0.00 H new ATOM 0 HA ASP A 51 2.364 -11.196 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.326 -12.943 0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.813 -13.492 1.466 1.00 0.00 H new ATOM 893 N LEU A 52 4.721 -13.132 3.251 1.00 0.00 N ATOM 894 CA LEU A 52 5.475 -13.656 4.430 1.00 0.00 C ATOM 895 C LEU A 52 6.665 -14.486 3.944 1.00 0.00 C ATOM 896 O LEU A 52 6.960 -15.536 4.477 1.00 0.00 O ATOM 897 CB LEU A 52 4.559 -14.544 5.286 1.00 0.00 C ATOM 898 CG LEU A 52 3.836 -15.591 4.399 1.00 0.00 C ATOM 899 CD1 LEU A 52 3.633 -16.894 5.183 1.00 0.00 C ATOM 900 CD2 LEU A 52 2.462 -15.053 3.957 1.00 0.00 C ATOM 0 H LEU A 52 4.715 -13.745 2.436 1.00 0.00 H new ATOM 0 HA LEU A 52 5.827 -12.816 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.146 -15.051 6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.824 -13.927 5.803 1.00 0.00 H new ATOM 0 HG LEU A 52 4.452 -15.784 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.125 -17.623 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.602 -17.290 5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.028 -16.696 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.963 -15.796 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.852 -14.847 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.597 -14.134 3.387 1.00 0.00 H new ATOM 912 N ASN A 53 7.350 -14.020 2.935 1.00 0.00 N ATOM 913 CA ASN A 53 8.524 -14.779 2.414 1.00 0.00 C ATOM 914 C ASN A 53 9.766 -14.418 3.231 1.00 0.00 C ATOM 915 O ASN A 53 10.793 -15.059 3.131 1.00 0.00 O ATOM 916 CB ASN A 53 8.756 -14.412 0.947 1.00 0.00 C ATOM 917 CG ASN A 53 9.760 -15.387 0.330 1.00 0.00 C ATOM 918 OD1 ASN A 53 10.727 -14.976 -0.281 1.00 0.00 O ATOM 919 ND2 ASN A 53 9.571 -16.672 0.464 1.00 0.00 N ATOM 0 H ASN A 53 7.148 -13.147 2.449 1.00 0.00 H new ATOM 0 HA ASN A 53 8.332 -15.849 2.496 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.814 -14.448 0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.131 -13.391 0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.235 -17.330 0.056 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.760 -17.017 0.977 1.00 0.00 H new ATOM 926 N ARG A 54 9.680 -13.393 4.039 1.00 0.00 N ATOM 927 CA ARG A 54 10.855 -12.980 4.867 1.00 0.00 C ATOM 928 C ARG A 54 10.369 -12.504 6.239 1.00 0.00 C ATOM 929 O ARG A 54 10.566 -11.365 6.613 1.00 0.00 O ATOM 930 CB ARG A 54 11.594 -11.837 4.166 1.00 0.00 C ATOM 931 CG ARG A 54 12.247 -12.357 2.884 1.00 0.00 C ATOM 932 CD ARG A 54 12.992 -11.216 2.191 1.00 0.00 C ATOM 933 NE ARG A 54 12.057 -10.079 1.959 1.00 0.00 N ATOM 934 CZ ARG A 54 12.526 -8.900 1.654 1.00 0.00 C ATOM 935 NH1 ARG A 54 13.814 -8.716 1.549 1.00 0.00 N ATOM 936 NH2 ARG A 54 11.706 -7.905 1.452 1.00 0.00 N ATOM 0 H ARG A 54 8.844 -12.822 4.162 1.00 0.00 H new ATOM 0 HA ARG A 54 11.528 -13.828 4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.899 -11.031 3.931 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.352 -11.420 4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.938 -13.167 3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.488 -12.768 2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.832 -10.890 2.805 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.405 -11.560 1.243 1.00 0.00 H new ATOM 0 HE ARG A 54 11.050 -10.222 2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.455 -9.494 1.705 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.180 -7.794 1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.699 -8.049 1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.072 -6.983 1.214 1.00 0.00 H new ATOM 950 N PRO A 55 9.738 -13.373 6.984 1.00 0.00 N ATOM 951 CA PRO A 55 9.212 -13.044 8.341 1.00 0.00 C ATOM 952 C PRO A 55 10.327 -13.000 9.394 1.00 0.00 C ATOM 953 O PRO A 55 11.190 -13.860 9.350 1.00 0.00 O ATOM 954 CB PRO A 55 8.231 -14.188 8.625 1.00 0.00 C ATOM 955 CG PRO A 55 8.784 -15.354 7.868 1.00 0.00 C ATOM 956 CD PRO A 55 9.455 -14.773 6.615 1.00 0.00 C ATOM 957 OXT PRO A 55 10.295 -12.107 10.226 1.00 0.00 O ATOM 0 HA PRO A 55 8.750 -12.058 8.381 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.169 -14.401 9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.224 -13.939 8.290 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.503 -15.906 8.474 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.993 -16.053 7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.368 -15.313 6.364 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.800 -14.833 5.746 1.00 0.00 H new TER 965 PRO A 55