USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 824 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 MET CE :methyl -121:sc= -2.67! (180deg=-5.22!) USER MOD Set 1.2: A 68 GLN : amide:sc= -3.97 K(o=-6.6,f=-18!) USER MOD Set 2.1: A 14 HIS : no HE2:sc= -1.34 K(o=-0.86,f=-4!) USER MOD Set 2.2: A 98 SER OG : rot -31:sc= 0.481 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-0.27) USER MOD Single : A 12 MET CE :methyl -150:sc= -0.884 (180deg=-3.11!) USER MOD Single : A 21 SER OG : rot 81:sc= 0.168 USER MOD Single : A 24 TYR OH : rot 49:sc= 1.54 USER MOD Single : A 29 ASN : amide:sc= -0.78 K(o=-0.78,f=-2.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 170:sc= -0.111 (180deg=-0.315) USER MOD Single : A 41 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.028) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.734 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 58 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.59) USER MOD Single : A 60 TYR OH : rot -179:sc= -0.25 USER MOD Single : A 65 MET CE :methyl 152:sc= 0 (180deg=-0.216) USER MOD Single : A 71 CYS SG : rot 173:sc=-0.00106 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -130:sc= -1.79! USER MOD Single : A 75 MET CE :methyl -160:sc= -0.0171 (180deg=-0.181) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.402 K(o=-0.4,f=-2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0243 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.556 -9.351 -17.137 1.00 0.00 N ATOM 2 CA GLU A 1 1.757 -10.335 -16.365 1.00 0.00 C ATOM 3 C GLU A 1 2.585 -11.526 -15.849 1.00 0.00 C ATOM 4 O GLU A 1 2.342 -12.683 -16.190 1.00 0.00 O ATOM 5 CB GLU A 1 0.593 -10.850 -17.224 1.00 0.00 C ATOM 6 CG GLU A 1 -0.788 -10.419 -16.720 1.00 0.00 C ATOM 7 CD GLU A 1 -1.078 -8.965 -17.087 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.246 -8.717 -18.300 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.994 -8.122 -16.167 1.00 0.00 O ATOM 0 H1 GLU A 1 1.939 -8.576 -17.455 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.311 -8.967 -16.534 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.978 -9.819 -17.964 1.00 0.00 H new ATOM 0 HA GLU A 1 1.382 -9.809 -15.487 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.723 -10.494 -18.246 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.633 -11.939 -17.258 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -1.553 -11.065 -17.150 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -0.838 -10.541 -15.638 1.00 0.00 H new ATOM 17 N LEU A 2 3.636 -11.199 -15.082 1.00 0.00 N ATOM 18 CA LEU A 2 4.575 -12.173 -14.485 1.00 0.00 C ATOM 19 C LEU A 2 4.914 -13.335 -15.448 1.00 0.00 C ATOM 20 O LEU A 2 4.499 -14.477 -15.282 1.00 0.00 O ATOM 21 CB LEU A 2 4.076 -12.643 -13.103 1.00 0.00 C ATOM 22 CG LEU A 2 2.635 -13.172 -13.090 1.00 0.00 C ATOM 23 CD1 LEU A 2 2.600 -14.662 -12.753 1.00 0.00 C ATOM 24 CD2 LEU A 2 1.771 -12.349 -12.133 1.00 0.00 C ATOM 0 H LEU A 2 3.865 -10.232 -14.852 1.00 0.00 H new ATOM 0 HA LEU A 2 5.524 -11.663 -14.318 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.740 -13.427 -12.739 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.150 -11.811 -12.402 1.00 0.00 H new ATOM 0 HG LEU A 2 2.216 -13.062 -14.090 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.567 -15.010 -12.751 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.169 -15.217 -13.499 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.039 -14.823 -11.768 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.753 -12.738 -12.136 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.181 -12.414 -11.125 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.763 -11.308 -12.455 1.00 0.00 H new ATOM 36 N ILE A 3 5.611 -12.957 -16.512 1.00 0.00 N ATOM 37 CA ILE A 3 5.936 -13.890 -17.617 1.00 0.00 C ATOM 38 C ILE A 3 6.970 -14.956 -17.200 1.00 0.00 C ATOM 39 O ILE A 3 6.901 -16.106 -17.614 1.00 0.00 O ATOM 40 CB ILE A 3 6.357 -13.153 -18.903 1.00 0.00 C ATOM 41 CG1 ILE A 3 7.593 -12.262 -18.714 1.00 0.00 C ATOM 42 CG2 ILE A 3 5.176 -12.343 -19.459 1.00 0.00 C ATOM 43 CD1 ILE A 3 8.545 -12.365 -19.910 1.00 0.00 C ATOM 0 H ILE A 3 5.969 -12.011 -16.646 1.00 0.00 H new ATOM 0 HA ILE A 3 5.013 -14.421 -17.848 1.00 0.00 H new ATOM 0 HB ILE A 3 6.645 -13.916 -19.626 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.280 -11.226 -18.584 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.117 -12.553 -17.804 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.485 -11.826 -20.368 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.349 -13.015 -19.687 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.855 -11.612 -18.717 1.00 0.00 H new ATOM 0 HD11 ILE A 3 9.409 -11.722 -19.744 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.877 -13.397 -20.023 1.00 0.00 H new ATOM 0 HD13 ILE A 3 8.027 -12.049 -20.816 1.00 0.00 H new ATOM 55 N ARG A 4 7.889 -14.507 -16.346 1.00 0.00 N ATOM 56 CA ARG A 4 8.988 -15.296 -15.737 1.00 0.00 C ATOM 57 C ARG A 4 9.664 -14.547 -14.571 1.00 0.00 C ATOM 58 O ARG A 4 9.879 -15.118 -13.508 1.00 0.00 O ATOM 59 CB ARG A 4 10.047 -15.670 -16.787 1.00 0.00 C ATOM 60 CG ARG A 4 10.684 -14.424 -17.409 1.00 0.00 C ATOM 61 CD ARG A 4 11.657 -14.724 -18.529 1.00 0.00 C ATOM 62 NE ARG A 4 12.025 -13.423 -19.105 1.00 0.00 N ATOM 63 CZ ARG A 4 12.512 -13.236 -20.331 1.00 0.00 C ATOM 64 NH1 ARG A 4 12.677 -14.262 -21.152 1.00 0.00 N ATOM 65 NH2 ARG A 4 12.816 -12.023 -20.756 1.00 0.00 N ATOM 0 H ARG A 4 7.898 -13.535 -16.037 1.00 0.00 H new ATOM 0 HA ARG A 4 8.534 -16.205 -15.341 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.820 -16.283 -16.323 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.588 -16.274 -17.569 1.00 0.00 H new ATOM 0 HG2 ARG A 4 9.894 -13.777 -17.791 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.204 -13.867 -16.630 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.536 -15.247 -18.152 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.200 -15.368 -19.280 1.00 0.00 H new ATOM 0 HE ARG A 4 11.897 -12.597 -18.520 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.431 -15.204 -20.847 1.00 0.00 H new ATOM 0 HH12 ARG A 4 13.050 -14.110 -22.089 1.00 0.00 H new ATOM 0 HH21 ARG A 4 12.679 -11.219 -20.144 1.00 0.00 H new ATOM 0 HH22 ARG A 4 13.188 -11.890 -21.696 1.00 0.00 H new ATOM 79 N VAL A 5 9.907 -13.245 -14.776 1.00 0.00 N ATOM 80 CA VAL A 5 10.520 -12.335 -13.781 1.00 0.00 C ATOM 81 C VAL A 5 9.723 -12.299 -12.469 1.00 0.00 C ATOM 82 O VAL A 5 10.281 -12.148 -11.387 1.00 0.00 O ATOM 83 CB VAL A 5 10.731 -10.930 -14.402 1.00 0.00 C ATOM 84 CG1 VAL A 5 9.445 -10.263 -14.910 1.00 0.00 C ATOM 85 CG2 VAL A 5 11.481 -9.986 -13.453 1.00 0.00 C ATOM 0 H VAL A 5 9.680 -12.779 -15.655 1.00 0.00 H new ATOM 0 HA VAL A 5 11.502 -12.724 -13.512 1.00 0.00 H new ATOM 0 HB VAL A 5 11.350 -11.113 -15.280 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.683 -9.285 -15.328 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.992 -10.887 -15.681 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.746 -10.143 -14.082 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.606 -9.014 -13.930 1.00 0.00 H new ATOM 0 HG22 VAL A 5 10.910 -9.867 -12.532 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.460 -10.405 -13.222 1.00 0.00 H new ATOM 95 N ALA A 6 8.408 -12.456 -12.646 1.00 0.00 N ATOM 96 CA ALA A 6 7.372 -12.438 -11.607 1.00 0.00 C ATOM 97 C ALA A 6 7.244 -10.998 -11.096 1.00 0.00 C ATOM 98 O ALA A 6 7.681 -10.637 -10.006 1.00 0.00 O ATOM 99 CB ALA A 6 7.668 -13.499 -10.530 1.00 0.00 C ATOM 0 H ALA A 6 8.014 -12.608 -13.574 1.00 0.00 H new ATOM 0 HA ALA A 6 6.395 -12.724 -11.996 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.889 -13.471 -9.768 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.691 -14.487 -10.989 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.634 -13.291 -10.070 1.00 0.00 H new ATOM 105 N ILE A 7 6.664 -10.180 -11.987 1.00 0.00 N ATOM 106 CA ILE A 7 6.402 -8.740 -11.755 1.00 0.00 C ATOM 107 C ILE A 7 5.876 -8.511 -10.334 1.00 0.00 C ATOM 108 O ILE A 7 6.413 -7.676 -9.618 1.00 0.00 O ATOM 109 CB ILE A 7 5.481 -8.130 -12.846 1.00 0.00 C ATOM 110 CG1 ILE A 7 5.651 -6.602 -12.991 1.00 0.00 C ATOM 111 CG2 ILE A 7 3.997 -8.542 -12.777 1.00 0.00 C ATOM 112 CD1 ILE A 7 5.230 -5.681 -11.834 1.00 0.00 C ATOM 0 H ILE A 7 6.357 -10.500 -12.906 1.00 0.00 H new ATOM 0 HA ILE A 7 7.348 -8.205 -11.840 1.00 0.00 H new ATOM 0 HB ILE A 7 5.845 -8.592 -13.763 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.704 -6.408 -13.196 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.092 -6.293 -13.874 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.447 -8.059 -13.585 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.915 -9.624 -12.879 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.578 -8.235 -11.819 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.419 -4.643 -12.108 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.168 -5.815 -11.631 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.804 -5.931 -10.942 1.00 0.00 H new ATOM 124 N LEU A 8 4.931 -9.367 -9.932 1.00 0.00 N ATOM 125 CA LEU A 8 4.331 -9.356 -8.589 1.00 0.00 C ATOM 126 C LEU A 8 3.728 -7.985 -8.250 1.00 0.00 C ATOM 127 O LEU A 8 3.858 -7.013 -8.990 1.00 0.00 O ATOM 128 CB LEU A 8 5.393 -9.787 -7.561 1.00 0.00 C ATOM 129 CG LEU A 8 5.334 -11.249 -7.110 1.00 0.00 C ATOM 130 CD1 LEU A 8 4.078 -11.425 -6.274 1.00 0.00 C ATOM 131 CD2 LEU A 8 5.351 -12.252 -8.263 1.00 0.00 C ATOM 0 H LEU A 8 4.555 -10.097 -10.536 1.00 0.00 H new ATOM 0 HA LEU A 8 3.504 -10.066 -8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.379 -9.598 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.297 -9.151 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 8 6.234 -11.461 -6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.007 -12.459 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.121 -10.763 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.203 -11.179 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.307 -13.265 -7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.490 -12.078 -8.909 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.268 -12.129 -8.839 1.00 0.00 H new ATOM 143 N TRP A 9 2.960 -7.966 -7.174 1.00 0.00 N ATOM 144 CA TRP A 9 2.405 -6.685 -6.690 1.00 0.00 C ATOM 145 C TRP A 9 3.180 -6.109 -5.499 1.00 0.00 C ATOM 146 O TRP A 9 3.484 -4.924 -5.480 1.00 0.00 O ATOM 147 CB TRP A 9 0.903 -6.739 -6.420 1.00 0.00 C ATOM 148 CG TRP A 9 0.022 -6.867 -7.677 1.00 0.00 C ATOM 149 CD1 TRP A 9 0.337 -6.483 -8.919 1.00 0.00 C ATOM 150 CD2 TRP A 9 -1.329 -7.156 -7.669 1.00 0.00 C ATOM 151 NE1 TRP A 9 -0.760 -6.496 -9.675 1.00 0.00 N ATOM 152 CE2 TRP A 9 -1.792 -6.913 -8.964 1.00 0.00 C ATOM 153 CE3 TRP A 9 -2.232 -7.473 -6.659 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -3.151 -7.009 -9.240 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -3.584 -7.628 -6.954 1.00 0.00 C ATOM 156 CH2 TRP A 9 -4.041 -7.388 -8.235 1.00 0.00 C ATOM 0 H TRP A 9 2.705 -8.787 -6.625 1.00 0.00 H new ATOM 0 HA TRP A 9 2.541 -5.989 -7.518 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.697 -7.583 -5.762 1.00 0.00 H new ATOM 0 HB3 TRP A 9 0.613 -5.837 -5.881 1.00 0.00 H new ATOM 0 HD1 TRP A 9 1.325 -6.206 -9.256 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.797 -6.224 -10.657 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.884 -7.599 -5.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.518 -6.790 -10.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -4.274 -7.935 -6.182 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -5.092 -7.494 -8.460 1.00 0.00 H new ATOM 167 N HIS A 10 3.762 -7.016 -4.718 1.00 0.00 N ATOM 168 CA HIS A 10 4.743 -6.700 -3.661 1.00 0.00 C ATOM 169 C HIS A 10 5.945 -5.888 -4.198 1.00 0.00 C ATOM 170 O HIS A 10 6.439 -4.976 -3.544 1.00 0.00 O ATOM 171 CB HIS A 10 5.127 -8.060 -3.063 1.00 0.00 C ATOM 172 CG HIS A 10 6.583 -8.246 -2.586 1.00 0.00 C ATOM 173 ND1 HIS A 10 6.992 -8.304 -1.339 1.00 0.00 N ATOM 174 CD2 HIS A 10 7.645 -8.295 -3.380 1.00 0.00 C ATOM 175 CE1 HIS A 10 8.336 -8.342 -1.362 1.00 0.00 C ATOM 176 NE2 HIS A 10 8.735 -8.315 -2.618 1.00 0.00 N ATOM 0 H HIS A 10 3.567 -8.014 -4.797 1.00 0.00 H new ATOM 0 HA HIS A 10 4.330 -6.045 -2.894 1.00 0.00 H new ATOM 0 HB2 HIS A 10 4.469 -8.252 -2.216 1.00 0.00 H new ATOM 0 HB3 HIS A 10 4.918 -8.826 -3.809 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.627 -8.315 -4.460 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.980 -8.387 -0.497 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.701 -8.310 -2.945 1.00 0.00 H new ATOM 184 N GLU A 11 6.367 -6.209 -5.422 1.00 0.00 N ATOM 185 CA GLU A 11 7.558 -5.597 -6.053 1.00 0.00 C ATOM 186 C GLU A 11 7.340 -4.104 -6.310 1.00 0.00 C ATOM 187 O GLU A 11 8.042 -3.261 -5.757 1.00 0.00 O ATOM 188 CB GLU A 11 7.899 -6.296 -7.370 1.00 0.00 C ATOM 189 CG GLU A 11 8.282 -7.767 -7.183 1.00 0.00 C ATOM 190 CD GLU A 11 9.702 -7.966 -6.657 1.00 0.00 C ATOM 191 OE1 GLU A 11 9.930 -7.617 -5.479 1.00 0.00 O ATOM 192 OE2 GLU A 11 10.493 -8.561 -7.416 1.00 0.00 O ATOM 0 H GLU A 11 5.900 -6.899 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 11 8.391 -5.718 -5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.043 -6.231 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.723 -5.770 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.579 -8.232 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.181 -8.284 -8.137 1.00 0.00 H new ATOM 199 N MET A 12 6.195 -3.815 -6.927 1.00 0.00 N ATOM 200 CA MET A 12 5.750 -2.433 -7.158 1.00 0.00 C ATOM 201 C MET A 12 5.464 -1.736 -5.813 1.00 0.00 C ATOM 202 O MET A 12 5.442 -0.519 -5.789 1.00 0.00 O ATOM 203 CB MET A 12 4.545 -2.410 -8.111 1.00 0.00 C ATOM 204 CG MET A 12 3.198 -2.592 -7.406 1.00 0.00 C ATOM 205 SD MET A 12 1.917 -3.497 -8.333 1.00 0.00 S ATOM 206 CE MET A 12 0.606 -3.312 -7.144 1.00 0.00 C ATOM 0 H MET A 12 5.551 -4.523 -7.280 1.00 0.00 H new ATOM 0 HA MET A 12 6.545 -1.869 -7.646 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.538 -1.463 -8.650 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.666 -3.199 -8.854 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.372 -3.114 -6.465 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.807 -1.606 -7.156 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.065 -4.169 -7.206 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.030 -3.254 -6.141 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.049 -2.399 -7.356 1.00 0.00 H new ATOM 216 N TRP A 13 5.157 -2.505 -4.766 1.00 0.00 N ATOM 217 CA TRP A 13 4.950 -1.995 -3.397 1.00 0.00 C ATOM 218 C TRP A 13 6.204 -1.411 -2.744 1.00 0.00 C ATOM 219 O TRP A 13 6.132 -0.314 -2.201 1.00 0.00 O ATOM 220 CB TRP A 13 4.346 -3.068 -2.490 1.00 0.00 C ATOM 221 CG TRP A 13 2.830 -2.920 -2.332 1.00 0.00 C ATOM 222 CD1 TRP A 13 1.939 -3.910 -2.373 1.00 0.00 C ATOM 223 CD2 TRP A 13 2.144 -1.745 -2.128 1.00 0.00 C ATOM 224 NE1 TRP A 13 0.718 -3.407 -2.192 1.00 0.00 N ATOM 225 CE2 TRP A 13 0.797 -2.093 -2.076 1.00 0.00 C ATOM 226 CE3 TRP A 13 2.545 -0.432 -1.936 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -0.150 -1.108 -1.863 1.00 0.00 C ATOM 228 CZ3 TRP A 13 1.593 0.549 -1.700 1.00 0.00 C ATOM 229 CH2 TRP A 13 0.259 0.203 -1.650 1.00 0.00 C ATOM 0 H TRP A 13 5.042 -3.516 -4.840 1.00 0.00 H new ATOM 0 HA TRP A 13 4.248 -1.169 -3.511 1.00 0.00 H new ATOM 0 HB2 TRP A 13 4.571 -4.053 -2.899 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.817 -3.016 -1.508 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.169 -4.954 -2.528 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.143 -3.952 -2.150 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.593 -0.174 -1.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.201 -1.356 -1.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.894 1.576 -1.556 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.480 0.963 -1.442 1.00 0.00 H new ATOM 240 N HIS A 14 7.365 -2.004 -3.028 1.00 0.00 N ATOM 241 CA HIS A 14 8.665 -1.505 -2.533 1.00 0.00 C ATOM 242 C HIS A 14 8.867 0.000 -2.790 1.00 0.00 C ATOM 243 O HIS A 14 8.945 0.808 -1.867 1.00 0.00 O ATOM 244 CB HIS A 14 9.791 -2.277 -3.221 1.00 0.00 C ATOM 245 CG HIS A 14 10.430 -3.317 -2.302 1.00 0.00 C ATOM 246 ND1 HIS A 14 10.906 -4.483 -2.704 1.00 0.00 N ATOM 247 CD2 HIS A 14 10.822 -3.098 -1.052 1.00 0.00 C ATOM 248 CE1 HIS A 14 11.619 -4.987 -1.692 1.00 0.00 C ATOM 249 NE2 HIS A 14 11.555 -4.138 -0.682 1.00 0.00 N ATOM 0 H HIS A 14 7.439 -2.842 -3.605 1.00 0.00 H new ATOM 0 HA HIS A 14 8.679 -1.658 -1.454 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.398 -2.773 -4.109 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.555 -1.576 -3.559 1.00 0.00 H new ATOM 0 HD1 HIS A 14 10.757 -4.917 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.587 -2.233 -0.449 1.00 0.00 H new ATOM 0 HE1 HIS A 14 12.154 -5.925 -1.699 1.00 0.00 H new ATOM 257 N GLU A 15 8.715 0.343 -4.064 1.00 0.00 N ATOM 258 CA GLU A 15 8.794 1.729 -4.564 1.00 0.00 C ATOM 259 C GLU A 15 7.441 2.455 -4.562 1.00 0.00 C ATOM 260 O GLU A 15 7.399 3.638 -4.257 1.00 0.00 O ATOM 261 CB GLU A 15 9.372 1.729 -5.978 1.00 0.00 C ATOM 262 CG GLU A 15 10.861 1.359 -6.010 1.00 0.00 C ATOM 263 CD GLU A 15 11.803 2.542 -5.758 1.00 0.00 C ATOM 264 OE1 GLU A 15 11.529 3.626 -6.320 1.00 0.00 O ATOM 265 OE2 GLU A 15 12.830 2.307 -5.087 1.00 0.00 O ATOM 0 H GLU A 15 8.530 -0.339 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 15 9.444 2.274 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.814 1.024 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.238 2.716 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.050 0.591 -5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.095 0.921 -6.980 1.00 0.00 H new ATOM 272 N GLY A 16 6.346 1.748 -4.849 1.00 0.00 N ATOM 273 CA GLY A 16 4.971 2.295 -4.801 1.00 0.00 C ATOM 274 C GLY A 16 4.586 2.840 -3.421 1.00 0.00 C ATOM 275 O GLY A 16 3.840 3.811 -3.310 1.00 0.00 O ATOM 0 H GLY A 16 6.380 0.767 -5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.878 3.092 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.266 1.514 -5.086 1.00 0.00 H new ATOM 279 N LEU A 17 5.212 2.269 -2.394 1.00 0.00 N ATOM 280 CA LEU A 17 5.147 2.796 -1.029 1.00 0.00 C ATOM 281 C LEU A 17 6.128 3.948 -0.829 1.00 0.00 C ATOM 282 O LEU A 17 5.669 5.007 -0.453 1.00 0.00 O ATOM 283 CB LEU A 17 5.328 1.715 0.039 1.00 0.00 C ATOM 284 CG LEU A 17 3.965 1.262 0.568 1.00 0.00 C ATOM 285 CD1 LEU A 17 4.100 -0.034 1.364 1.00 0.00 C ATOM 286 CD2 LEU A 17 3.348 2.351 1.445 1.00 0.00 C ATOM 0 H LEU A 17 5.780 1.426 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 17 4.138 3.186 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.864 0.864 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.934 2.101 0.858 1.00 0.00 H new ATOM 0 HG LEU A 17 3.311 1.080 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.120 -0.339 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.506 -0.815 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.770 0.126 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.379 2.015 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.007 2.555 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.217 3.260 0.858 1.00 0.00 H new ATOM 298 N GLU A 18 7.294 3.896 -1.459 1.00 0.00 N ATOM 299 CA GLU A 18 8.266 5.005 -1.371 1.00 0.00 C ATOM 300 C GLU A 18 7.804 6.255 -2.151 1.00 0.00 C ATOM 301 O GLU A 18 7.990 7.366 -1.674 1.00 0.00 O ATOM 302 CB GLU A 18 9.642 4.521 -1.824 1.00 0.00 C ATOM 303 CG GLU A 18 10.738 5.502 -1.398 1.00 0.00 C ATOM 304 CD GLU A 18 12.115 4.969 -1.792 1.00 0.00 C ATOM 305 OE1 GLU A 18 12.499 5.211 -2.956 1.00 0.00 O ATOM 306 OE2 GLU A 18 12.715 4.281 -0.939 1.00 0.00 O ATOM 0 H GLU A 18 7.598 3.111 -2.034 1.00 0.00 H new ATOM 0 HA GLU A 18 8.334 5.317 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.844 3.538 -1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.652 4.407 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.569 6.471 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.696 5.657 -0.320 1.00 0.00 H new ATOM 313 N GLU A 19 7.063 6.069 -3.241 1.00 0.00 N ATOM 314 CA GLU A 19 6.469 7.171 -4.026 1.00 0.00 C ATOM 315 C GLU A 19 5.224 7.801 -3.365 1.00 0.00 C ATOM 316 O GLU A 19 4.701 8.813 -3.820 1.00 0.00 O ATOM 317 CB GLU A 19 6.210 6.687 -5.462 1.00 0.00 C ATOM 318 CG GLU A 19 5.909 7.835 -6.439 1.00 0.00 C ATOM 319 CD GLU A 19 7.020 8.893 -6.459 1.00 0.00 C ATOM 320 OE1 GLU A 19 7.024 9.744 -5.544 1.00 0.00 O ATOM 321 OE2 GLU A 19 7.842 8.826 -7.397 1.00 0.00 O ATOM 0 H GLU A 19 6.851 5.144 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 19 7.188 7.990 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.081 6.135 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.371 5.991 -5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.779 7.430 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.967 8.307 -6.161 1.00 0.00 H new ATOM 328 N ALA A 20 4.762 7.176 -2.286 1.00 0.00 N ATOM 329 CA ALA A 20 3.608 7.626 -1.485 1.00 0.00 C ATOM 330 C ALA A 20 4.021 8.066 -0.074 1.00 0.00 C ATOM 331 O ALA A 20 3.825 9.203 0.348 1.00 0.00 O ATOM 332 CB ALA A 20 2.613 6.474 -1.345 1.00 0.00 C ATOM 0 H ALA A 20 5.185 6.320 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 20 3.166 8.478 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.758 6.802 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.273 6.164 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.097 5.633 -0.848 1.00 0.00 H new ATOM 338 N SER A 21 4.754 7.173 0.567 1.00 0.00 N ATOM 339 CA SER A 21 5.354 7.340 1.895 1.00 0.00 C ATOM 340 C SER A 21 6.291 8.544 1.929 1.00 0.00 C ATOM 341 O SER A 21 6.170 9.353 2.837 1.00 0.00 O ATOM 342 CB SER A 21 6.074 6.074 2.371 1.00 0.00 C ATOM 343 OG SER A 21 5.118 5.010 2.463 1.00 0.00 O ATOM 0 H SER A 21 4.962 6.261 0.161 1.00 0.00 H new ATOM 0 HA SER A 21 4.535 7.523 2.590 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.870 5.808 1.676 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.542 6.247 3.340 1.00 0.00 H new ATOM 0 HG SER A 21 4.968 4.627 1.573 1.00 0.00 H new ATOM 349 N ARG A 22 6.956 8.823 0.808 1.00 0.00 N ATOM 350 CA ARG A 22 7.765 10.051 0.673 1.00 0.00 C ATOM 351 C ARG A 22 6.933 11.328 0.456 1.00 0.00 C ATOM 352 O ARG A 22 7.257 12.373 1.026 1.00 0.00 O ATOM 353 CB ARG A 22 8.808 9.882 -0.425 1.00 0.00 C ATOM 354 CG ARG A 22 9.792 11.047 -0.450 1.00 0.00 C ATOM 355 CD ARG A 22 10.758 10.856 -1.608 1.00 0.00 C ATOM 356 NE ARG A 22 12.077 10.505 -1.067 1.00 0.00 N ATOM 357 CZ ARG A 22 13.144 10.172 -1.796 1.00 0.00 C ATOM 358 NH1 ARG A 22 13.062 10.042 -3.112 1.00 0.00 N ATOM 359 NH2 ARG A 22 14.303 9.940 -1.206 1.00 0.00 N ATOM 0 H ARG A 22 6.956 8.225 -0.018 1.00 0.00 H new ATOM 0 HA ARG A 22 8.267 10.191 1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.351 8.950 -0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.310 9.805 -1.392 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.256 11.990 -0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.339 11.098 0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.401 10.069 -2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.823 11.769 -2.200 1.00 0.00 H new ATOM 0 HE ARG A 22 12.187 10.517 -0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.172 10.197 -3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.889 9.787 -3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.383 10.015 -0.192 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.118 9.686 -1.765 1.00 0.00 H new ATOM 373 N LEU A 23 5.775 11.187 -0.192 1.00 0.00 N ATOM 374 CA LEU A 23 4.841 12.312 -0.400 1.00 0.00 C ATOM 375 C LEU A 23 4.254 12.863 0.912 1.00 0.00 C ATOM 376 O LEU A 23 3.767 13.993 0.970 1.00 0.00 O ATOM 377 CB LEU A 23 3.709 11.933 -1.359 1.00 0.00 C ATOM 378 CG LEU A 23 3.816 12.473 -2.795 1.00 0.00 C ATOM 379 CD1 LEU A 23 3.895 13.998 -2.837 1.00 0.00 C ATOM 380 CD2 LEU A 23 4.966 11.844 -3.580 1.00 0.00 C ATOM 0 H LEU A 23 5.454 10.303 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 23 5.437 13.107 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.652 10.846 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.769 12.283 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 23 2.891 12.177 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.969 14.330 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.999 14.421 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.773 14.332 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.992 12.263 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.909 12.053 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.818 10.766 -3.640 1.00 0.00 H new ATOM 392 N TYR A 24 4.328 12.047 1.959 1.00 0.00 N ATOM 393 CA TYR A 24 4.010 12.495 3.325 1.00 0.00 C ATOM 394 C TYR A 24 5.274 12.699 4.182 1.00 0.00 C ATOM 395 O TYR A 24 5.318 13.652 4.953 1.00 0.00 O ATOM 396 CB TYR A 24 3.021 11.538 4.015 1.00 0.00 C ATOM 397 CG TYR A 24 3.632 10.307 4.701 1.00 0.00 C ATOM 398 CD1 TYR A 24 4.336 10.489 5.890 1.00 0.00 C ATOM 399 CD2 TYR A 24 3.594 9.049 4.119 1.00 0.00 C ATOM 400 CE1 TYR A 24 5.034 9.451 6.472 1.00 0.00 C ATOM 401 CE2 TYR A 24 4.251 7.990 4.736 1.00 0.00 C ATOM 402 CZ TYR A 24 4.991 8.191 5.891 1.00 0.00 C ATOM 403 OH TYR A 24 5.787 7.207 6.368 1.00 0.00 O ATOM 0 H TYR A 24 4.606 11.068 1.895 1.00 0.00 H new ATOM 0 HA TYR A 24 3.527 13.468 3.231 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.462 12.103 4.761 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.302 11.194 3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.335 11.459 6.364 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.059 8.893 3.194 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.609 9.617 7.371 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.184 7.000 4.311 1.00 0.00 H new ATOM 0 HH TYR A 24 5.699 7.159 7.343 1.00 0.00 H new ATOM 413 N PHE A 25 6.270 11.827 3.998 1.00 0.00 N ATOM 414 CA PHE A 25 7.505 11.724 4.812 1.00 0.00 C ATOM 415 C PHE A 25 8.126 13.094 5.107 1.00 0.00 C ATOM 416 O PHE A 25 8.493 13.393 6.241 1.00 0.00 O ATOM 417 CB PHE A 25 8.499 10.839 4.048 1.00 0.00 C ATOM 418 CG PHE A 25 9.843 10.641 4.742 1.00 0.00 C ATOM 419 CD1 PHE A 25 10.827 11.616 4.621 1.00 0.00 C ATOM 420 CD2 PHE A 25 10.069 9.513 5.527 1.00 0.00 C ATOM 421 CE1 PHE A 25 12.029 11.477 5.290 1.00 0.00 C ATOM 422 CE2 PHE A 25 11.277 9.370 6.187 1.00 0.00 C ATOM 423 CZ PHE A 25 12.259 10.351 6.076 1.00 0.00 C ATOM 0 H PHE A 25 6.245 11.138 3.246 1.00 0.00 H new ATOM 0 HA PHE A 25 7.256 11.287 5.779 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.043 9.863 3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.674 11.278 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.652 12.484 4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.306 8.754 5.620 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.788 12.240 5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.459 8.493 6.791 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.197 10.239 6.599 1.00 0.00 H new ATOM 433 N GLY A 26 8.201 13.882 4.030 1.00 0.00 N ATOM 434 CA GLY A 26 8.660 15.281 4.089 1.00 0.00 C ATOM 435 C GLY A 26 8.188 16.091 2.876 1.00 0.00 C ATOM 436 O GLY A 26 8.842 17.046 2.474 1.00 0.00 O ATOM 0 H GLY A 26 7.947 13.572 3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.289 15.746 5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.749 15.304 4.139 1.00 0.00 H new ATOM 440 N GLU A 27 7.027 15.720 2.344 1.00 0.00 N ATOM 441 CA GLU A 27 6.434 16.456 1.213 1.00 0.00 C ATOM 442 C GLU A 27 5.134 17.171 1.597 1.00 0.00 C ATOM 443 O GLU A 27 4.668 18.018 0.836 1.00 0.00 O ATOM 444 CB GLU A 27 6.205 15.535 0.015 1.00 0.00 C ATOM 445 CG GLU A 27 7.105 15.865 -1.176 1.00 0.00 C ATOM 446 CD GLU A 27 8.047 14.700 -1.489 1.00 0.00 C ATOM 447 OE1 GLU A 27 7.550 13.700 -2.052 1.00 0.00 O ATOM 448 OE2 GLU A 27 9.248 14.849 -1.186 1.00 0.00 O ATOM 0 H GLU A 27 6.477 14.924 2.668 1.00 0.00 H new ATOM 0 HA GLU A 27 7.154 17.224 0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.379 14.503 0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.162 15.604 -0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.492 16.087 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.687 16.761 -0.960 1.00 0.00 H new ATOM 455 N ARG A 28 4.558 16.798 2.749 1.00 0.00 N ATOM 456 CA ARG A 28 3.259 17.313 3.245 1.00 0.00 C ATOM 457 C ARG A 28 2.169 17.397 2.165 1.00 0.00 C ATOM 458 O ARG A 28 1.253 18.220 2.183 1.00 0.00 O ATOM 459 CB ARG A 28 3.485 18.663 3.930 1.00 0.00 C ATOM 460 CG ARG A 28 4.062 18.504 5.337 1.00 0.00 C ATOM 461 CD ARG A 28 2.984 18.028 6.321 1.00 0.00 C ATOM 462 NE ARG A 28 3.329 18.437 7.692 1.00 0.00 N ATOM 463 CZ ARG A 28 3.395 19.693 8.159 1.00 0.00 C ATOM 464 NH1 ARG A 28 3.123 20.745 7.393 1.00 0.00 N ATOM 465 NH2 ARG A 28 3.738 19.916 9.414 1.00 0.00 N ATOM 0 H ARG A 28 4.984 16.118 3.379 1.00 0.00 H new ATOM 0 HA ARG A 28 2.874 16.592 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.163 19.266 3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.540 19.204 3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.884 17.789 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.474 19.455 5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.017 18.446 6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.889 16.943 6.271 1.00 0.00 H new ATOM 0 HE ARG A 28 3.539 17.690 8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.854 20.610 6.418 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.183 21.687 7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.953 19.133 10.031 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.788 20.872 9.767 1.00 0.00 H new ATOM 479 N ASN A 29 2.290 16.467 1.225 1.00 0.00 N ATOM 480 CA ASN A 29 1.425 16.387 0.054 1.00 0.00 C ATOM 481 C ASN A 29 0.848 14.974 0.001 1.00 0.00 C ATOM 482 O ASN A 29 1.109 14.157 -0.880 1.00 0.00 O ATOM 483 CB ASN A 29 2.248 16.769 -1.179 1.00 0.00 C ATOM 484 CG ASN A 29 1.312 17.226 -2.290 1.00 0.00 C ATOM 485 OD1 ASN A 29 1.053 16.532 -3.267 1.00 0.00 O ATOM 486 ND2 ASN A 29 0.679 18.352 -2.062 1.00 0.00 N ATOM 0 H ASN A 29 3.002 15.737 1.255 1.00 0.00 H new ATOM 0 HA ASN A 29 0.585 17.080 0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.950 17.565 -0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.839 15.916 -1.514 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.047 18.668 -2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.913 18.912 -1.242 1.00 0.00 H new ATOM 493 N VAL A 30 0.012 14.750 1.005 1.00 0.00 N ATOM 494 CA VAL A 30 -0.805 13.526 1.141 1.00 0.00 C ATOM 495 C VAL A 30 -1.702 13.327 -0.108 1.00 0.00 C ATOM 496 O VAL A 30 -1.906 12.201 -0.551 1.00 0.00 O ATOM 497 CB VAL A 30 -1.568 13.574 2.485 1.00 0.00 C ATOM 498 CG1 VAL A 30 -2.303 12.270 2.774 1.00 0.00 C ATOM 499 CG2 VAL A 30 -0.632 13.802 3.679 1.00 0.00 C ATOM 0 H VAL A 30 -0.129 15.416 1.765 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.174 12.638 1.175 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.267 14.403 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.825 12.350 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.025 12.076 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.586 11.451 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.216 13.828 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.094 12.991 3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.108 14.750 3.555 1.00 0.00 H new ATOM 509 N LYS A 31 -1.950 14.424 -0.833 1.00 0.00 N ATOM 510 CA LYS A 31 -2.651 14.412 -2.132 1.00 0.00 C ATOM 511 C LYS A 31 -1.845 13.665 -3.224 1.00 0.00 C ATOM 512 O LYS A 31 -2.412 12.905 -4.007 1.00 0.00 O ATOM 513 CB LYS A 31 -3.050 15.864 -2.476 1.00 0.00 C ATOM 514 CG LYS A 31 -2.321 16.640 -3.585 1.00 0.00 C ATOM 515 CD LYS A 31 -2.754 16.182 -4.983 1.00 0.00 C ATOM 516 CE LYS A 31 -2.183 17.087 -6.072 1.00 0.00 C ATOM 517 NZ LYS A 31 -2.301 16.444 -7.389 1.00 0.00 N ATOM 0 H LYS A 31 -1.668 15.358 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.571 13.830 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.108 15.852 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.954 16.448 -1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.521 17.706 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.245 16.505 -3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.422 15.157 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.842 16.179 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.713 18.039 -6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.136 17.306 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.908 17.072 -8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.775 15.547 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.303 16.258 -7.596 1.00 0.00 H new ATOM 531 N GLY A 32 -0.513 13.808 -3.169 1.00 0.00 N ATOM 532 CA GLY A 32 0.431 13.155 -4.099 1.00 0.00 C ATOM 533 C GLY A 32 0.516 11.638 -3.867 1.00 0.00 C ATOM 534 O GLY A 32 0.230 10.855 -4.769 1.00 0.00 O ATOM 0 H GLY A 32 -0.051 14.388 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.119 13.347 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.421 13.596 -3.979 1.00 0.00 H new ATOM 538 N MET A 33 0.788 11.247 -2.621 1.00 0.00 N ATOM 539 CA MET A 33 0.786 9.824 -2.200 1.00 0.00 C ATOM 540 C MET A 33 -0.515 9.096 -2.557 1.00 0.00 C ATOM 541 O MET A 33 -0.504 7.951 -3.001 1.00 0.00 O ATOM 542 CB MET A 33 1.048 9.691 -0.693 1.00 0.00 C ATOM 543 CG MET A 33 -0.070 10.040 0.286 1.00 0.00 C ATOM 544 SD MET A 33 0.490 10.080 2.023 1.00 0.00 S ATOM 545 CE MET A 33 0.402 8.350 2.431 1.00 0.00 C ATOM 0 H MET A 33 1.017 11.897 -1.869 1.00 0.00 H new ATOM 0 HA MET A 33 1.595 9.349 -2.756 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.344 8.660 -0.500 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.905 10.319 -0.451 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.487 11.012 0.022 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.874 9.311 0.186 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.878 8.179 3.397 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.642 8.041 2.481 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.916 7.769 1.666 1.00 0.00 H new ATOM 555 N PHE A 34 -1.589 9.877 -2.531 1.00 0.00 N ATOM 556 CA PHE A 34 -2.948 9.431 -2.841 1.00 0.00 C ATOM 557 C PHE A 34 -3.146 9.090 -4.327 1.00 0.00 C ATOM 558 O PHE A 34 -3.966 8.240 -4.657 1.00 0.00 O ATOM 559 CB PHE A 34 -3.908 10.526 -2.380 1.00 0.00 C ATOM 560 CG PHE A 34 -5.279 9.958 -2.040 1.00 0.00 C ATOM 561 CD1 PHE A 34 -5.401 8.774 -1.321 1.00 0.00 C ATOM 562 CD2 PHE A 34 -6.417 10.672 -2.403 1.00 0.00 C ATOM 563 CE1 PHE A 34 -6.654 8.301 -0.976 1.00 0.00 C ATOM 564 CE2 PHE A 34 -7.667 10.204 -2.043 1.00 0.00 C ATOM 565 CZ PHE A 34 -7.791 9.020 -1.318 1.00 0.00 C ATOM 0 H PHE A 34 -1.540 10.866 -2.287 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.148 8.499 -2.313 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.495 11.030 -1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.008 11.277 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.518 8.224 -1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.324 11.590 -2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.748 7.369 -0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.551 10.758 -2.324 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.767 8.664 -1.024 1.00 0.00 H new ATOM 575 N GLU A 35 -2.268 9.627 -5.170 1.00 0.00 N ATOM 576 CA GLU A 35 -2.237 9.366 -6.620 1.00 0.00 C ATOM 577 C GLU A 35 -1.494 8.062 -6.954 1.00 0.00 C ATOM 578 O GLU A 35 -1.863 7.395 -7.915 1.00 0.00 O ATOM 579 CB GLU A 35 -1.542 10.534 -7.322 1.00 0.00 C ATOM 580 CG GLU A 35 -1.773 10.549 -8.836 1.00 0.00 C ATOM 581 CD GLU A 35 -2.785 11.629 -9.218 1.00 0.00 C ATOM 582 OE1 GLU A 35 -2.425 12.815 -9.049 1.00 0.00 O ATOM 583 OE2 GLU A 35 -3.865 11.254 -9.720 1.00 0.00 O ATOM 0 H GLU A 35 -1.539 10.271 -4.864 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.266 9.262 -6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.901 11.471 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.471 10.484 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.829 10.729 -9.351 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.133 9.574 -9.163 1.00 0.00 H new ATOM 590 N VAL A 36 -0.446 7.736 -6.200 1.00 0.00 N ATOM 591 CA VAL A 36 0.299 6.472 -6.405 1.00 0.00 C ATOM 592 C VAL A 36 -0.332 5.316 -5.603 1.00 0.00 C ATOM 593 O VAL A 36 -0.367 4.178 -6.062 1.00 0.00 O ATOM 594 CB VAL A 36 1.809 6.682 -6.176 1.00 0.00 C ATOM 595 CG1 VAL A 36 2.154 6.958 -4.719 1.00 0.00 C ATOM 596 CG2 VAL A 36 2.646 5.529 -6.735 1.00 0.00 C ATOM 0 H VAL A 36 -0.087 8.318 -5.443 1.00 0.00 H new ATOM 0 HA VAL A 36 0.212 6.163 -7.447 1.00 0.00 H new ATOM 0 HB VAL A 36 2.070 7.579 -6.737 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.231 7.097 -4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.639 7.860 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.839 6.115 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.702 5.723 -6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.356 4.599 -6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.476 5.443 -7.808 1.00 0.00 H new ATOM 606 N LEU A 37 -0.978 5.672 -4.496 1.00 0.00 N ATOM 607 CA LEU A 37 -1.767 4.742 -3.676 1.00 0.00 C ATOM 608 C LEU A 37 -3.150 4.424 -4.254 1.00 0.00 C ATOM 609 O LEU A 37 -3.608 3.292 -4.128 1.00 0.00 O ATOM 610 CB LEU A 37 -1.856 5.261 -2.237 1.00 0.00 C ATOM 611 CG LEU A 37 -1.291 4.279 -1.200 1.00 0.00 C ATOM 612 CD1 LEU A 37 -2.095 2.977 -1.208 1.00 0.00 C ATOM 613 CD2 LEU A 37 0.198 3.992 -1.408 1.00 0.00 C ATOM 0 H LEU A 37 -0.971 6.626 -4.134 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.238 3.789 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.316 6.205 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.899 5.471 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.386 4.756 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.683 2.291 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.136 3.191 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.039 2.521 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.543 3.292 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.350 3.558 -2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.762 4.921 -1.329 1.00 0.00 H new ATOM 625 N GLU A 38 -3.727 5.347 -5.027 1.00 0.00 N ATOM 626 CA GLU A 38 -4.969 5.091 -5.783 1.00 0.00 C ATOM 627 C GLU A 38 -4.882 3.818 -6.664 1.00 0.00 C ATOM 628 O GLU A 38 -5.673 2.906 -6.424 1.00 0.00 O ATOM 629 CB GLU A 38 -5.385 6.282 -6.652 1.00 0.00 C ATOM 630 CG GLU A 38 -6.562 7.077 -6.092 1.00 0.00 C ATOM 631 CD GLU A 38 -7.359 7.633 -7.272 1.00 0.00 C ATOM 632 OE1 GLU A 38 -6.928 8.662 -7.834 1.00 0.00 O ATOM 633 OE2 GLU A 38 -8.323 6.935 -7.659 1.00 0.00 O ATOM 0 H GLU A 38 -3.355 6.289 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.733 4.932 -5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.531 6.950 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.645 5.920 -7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.193 6.439 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.206 7.888 -5.456 1.00 0.00 H new ATOM 640 N PRO A 39 -3.873 3.671 -7.547 1.00 0.00 N ATOM 641 CA PRO A 39 -3.701 2.442 -8.338 1.00 0.00 C ATOM 642 C PRO A 39 -3.195 1.287 -7.472 1.00 0.00 C ATOM 643 O PRO A 39 -3.754 0.207 -7.585 1.00 0.00 O ATOM 644 CB PRO A 39 -2.739 2.806 -9.468 1.00 0.00 C ATOM 645 CG PRO A 39 -1.845 3.867 -8.839 1.00 0.00 C ATOM 646 CD PRO A 39 -2.810 4.621 -7.927 1.00 0.00 C ATOM 0 HA PRO A 39 -4.647 2.085 -8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.164 1.942 -9.801 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.269 3.191 -10.339 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.022 3.423 -8.279 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.403 4.521 -9.590 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.293 4.995 -7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.231 5.486 -8.441 1.00 0.00 H new ATOM 654 N LEU A 40 -2.348 1.557 -6.478 1.00 0.00 N ATOM 655 CA LEU A 40 -1.905 0.526 -5.518 1.00 0.00 C ATOM 656 C LEU A 40 -3.019 -0.077 -4.646 1.00 0.00 C ATOM 657 O LEU A 40 -2.825 -1.141 -4.078 1.00 0.00 O ATOM 658 CB LEU A 40 -0.782 1.088 -4.650 1.00 0.00 C ATOM 659 CG LEU A 40 0.497 1.338 -5.452 1.00 0.00 C ATOM 660 CD1 LEU A 40 1.439 2.181 -4.607 1.00 0.00 C ATOM 661 CD2 LEU A 40 1.206 0.038 -5.826 1.00 0.00 C ATOM 0 H LEU A 40 -1.950 2.481 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.547 -0.309 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.111 2.021 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.570 0.393 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 40 0.223 1.847 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.357 2.369 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.960 3.130 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.676 1.649 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.108 0.266 -6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.475 -0.503 -4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.541 -0.578 -6.432 1.00 0.00 H new ATOM 673 N HIS A 41 -4.148 0.625 -4.559 1.00 0.00 N ATOM 674 CA HIS A 41 -5.399 0.172 -3.912 1.00 0.00 C ATOM 675 C HIS A 41 -6.300 -0.650 -4.858 1.00 0.00 C ATOM 676 O HIS A 41 -6.909 -1.630 -4.443 1.00 0.00 O ATOM 677 CB HIS A 41 -6.097 1.409 -3.341 1.00 0.00 C ATOM 678 CG HIS A 41 -7.570 1.202 -2.898 1.00 0.00 C ATOM 679 ND1 HIS A 41 -8.595 1.780 -3.469 1.00 0.00 N ATOM 680 CD2 HIS A 41 -8.004 0.351 -1.985 1.00 0.00 C ATOM 681 CE1 HIS A 41 -9.711 1.276 -2.907 1.00 0.00 C ATOM 682 NE2 HIS A 41 -9.340 0.399 -1.991 1.00 0.00 N ATOM 0 H HIS A 41 -4.229 1.564 -4.950 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.167 -0.522 -3.104 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.525 1.764 -2.484 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.070 2.199 -4.092 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.391 -0.270 -1.349 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.727 1.541 -3.160 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -9.963 -0.145 -1.394 1.00 0.00 H new ATOM 690 N ALA A 42 -6.269 -0.323 -6.148 1.00 0.00 N ATOM 691 CA ALA A 42 -7.064 -1.021 -7.181 1.00 0.00 C ATOM 692 C ALA A 42 -6.335 -2.259 -7.740 1.00 0.00 C ATOM 693 O ALA A 42 -6.867 -3.369 -7.709 1.00 0.00 O ATOM 694 CB ALA A 42 -7.418 -0.039 -8.300 1.00 0.00 C ATOM 0 H ALA A 42 -5.694 0.434 -6.517 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.980 -1.386 -6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.004 -0.552 -9.062 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.000 0.786 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.503 0.349 -8.746 1.00 0.00 H new ATOM 700 N MET A 43 -5.037 -2.077 -7.974 1.00 0.00 N ATOM 701 CA MET A 43 -4.062 -3.120 -8.350 1.00 0.00 C ATOM 702 C MET A 43 -3.756 -4.094 -7.201 1.00 0.00 C ATOM 703 O MET A 43 -2.766 -4.801 -7.268 1.00 0.00 O ATOM 704 CB MET A 43 -2.744 -2.461 -8.769 1.00 0.00 C ATOM 705 CG MET A 43 -2.833 -1.780 -10.131 1.00 0.00 C ATOM 706 SD MET A 43 -1.470 -0.586 -10.370 1.00 0.00 S ATOM 707 CE MET A 43 -1.848 -0.087 -12.035 1.00 0.00 C ATOM 0 H MET A 43 -4.607 -1.155 -7.905 1.00 0.00 H new ATOM 0 HA MET A 43 -4.510 -3.684 -9.168 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.455 -1.726 -8.018 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.958 -3.215 -8.795 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.802 -2.533 -10.919 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.790 -1.265 -10.220 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.118 0.651 -12.368 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.812 -0.956 -12.692 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.846 0.350 -12.066 1.00 0.00 H new ATOM 717 N MET A 44 -4.392 -3.899 -6.054 1.00 0.00 N ATOM 718 CA MET A 44 -4.319 -4.887 -4.960 1.00 0.00 C ATOM 719 C MET A 44 -5.673 -5.513 -4.601 1.00 0.00 C ATOM 720 O MET A 44 -5.731 -6.495 -3.863 1.00 0.00 O ATOM 721 CB MET A 44 -3.664 -4.242 -3.744 1.00 0.00 C ATOM 722 CG MET A 44 -4.578 -3.282 -2.976 1.00 0.00 C ATOM 723 SD MET A 44 -3.696 -2.578 -1.547 1.00 0.00 S ATOM 724 CE MET A 44 -3.360 -4.084 -0.653 1.00 0.00 C ATOM 0 H MET A 44 -4.961 -3.078 -5.847 1.00 0.00 H new ATOM 0 HA MET A 44 -3.709 -5.719 -5.313 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.328 -5.027 -3.066 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.776 -3.700 -4.068 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.913 -2.482 -3.636 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.470 -3.810 -2.638 1.00 0.00 H new ATOM 0 HE1 MET A 44 -3.812 -4.028 0.337 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.780 -4.931 -1.196 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.283 -4.215 -0.553 1.00 0.00 H new ATOM 734 N GLU A 45 -6.739 -4.838 -5.032 1.00 0.00 N ATOM 735 CA GLU A 45 -8.120 -5.265 -4.778 1.00 0.00 C ATOM 736 C GLU A 45 -8.628 -6.217 -5.868 1.00 0.00 C ATOM 737 O GLU A 45 -9.240 -7.218 -5.520 1.00 0.00 O ATOM 738 CB GLU A 45 -9.029 -4.041 -4.632 1.00 0.00 C ATOM 739 CG GLU A 45 -10.349 -4.389 -3.932 1.00 0.00 C ATOM 740 CD GLU A 45 -11.487 -4.697 -4.911 1.00 0.00 C ATOM 741 OE1 GLU A 45 -11.597 -5.861 -5.346 1.00 0.00 O ATOM 742 OE2 GLU A 45 -12.252 -3.748 -5.186 1.00 0.00 O ATOM 0 H GLU A 45 -6.671 -3.974 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.139 -5.823 -3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.510 -3.269 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.239 -3.625 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.193 -5.251 -3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.644 -3.558 -3.292 1.00 0.00 H new ATOM 749 N ARG A 46 -8.203 -5.991 -7.116 1.00 0.00 N ATOM 750 CA ARG A 46 -8.594 -6.840 -8.264 1.00 0.00 C ATOM 751 C ARG A 46 -8.353 -8.336 -7.997 1.00 0.00 C ATOM 752 O ARG A 46 -9.107 -9.194 -8.455 1.00 0.00 O ATOM 753 CB ARG A 46 -7.835 -6.378 -9.510 1.00 0.00 C ATOM 754 CG ARG A 46 -8.504 -6.946 -10.760 1.00 0.00 C ATOM 755 CD ARG A 46 -8.348 -5.983 -11.931 1.00 0.00 C ATOM 756 NE ARG A 46 -9.660 -5.858 -12.587 1.00 0.00 N ATOM 757 CZ ARG A 46 -9.908 -5.227 -13.738 1.00 0.00 C ATOM 758 NH1 ARG A 46 -8.932 -4.654 -14.431 1.00 0.00 N ATOM 759 NH2 ARG A 46 -11.135 -5.176 -14.221 1.00 0.00 N ATOM 0 H ARG A 46 -7.582 -5.221 -7.366 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.667 -6.727 -8.422 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.821 -5.289 -9.556 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.797 -6.708 -9.459 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.060 -7.909 -11.012 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.562 -7.123 -10.565 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.001 -5.010 -11.582 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.603 -6.354 -12.634 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.454 -6.294 -12.119 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.973 -4.691 -14.087 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.141 -4.177 -15.308 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.901 -5.620 -13.715 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.317 -4.692 -15.100 1.00 0.00 H new ATOM 773 N GLY A 47 -7.296 -8.592 -7.215 1.00 0.00 N ATOM 774 CA GLY A 47 -6.979 -9.939 -6.737 1.00 0.00 C ATOM 775 C GLY A 47 -5.714 -10.467 -7.429 1.00 0.00 C ATOM 776 O GLY A 47 -5.360 -9.980 -8.504 1.00 0.00 O ATOM 0 H GLY A 47 -6.643 -7.875 -6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.831 -9.923 -5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.816 -10.609 -6.935 1.00 0.00 H new ATOM 780 N PRO A 48 -4.975 -11.363 -6.766 1.00 0.00 N ATOM 781 CA PRO A 48 -3.795 -11.991 -7.389 1.00 0.00 C ATOM 782 C PRO A 48 -4.217 -12.930 -8.530 1.00 0.00 C ATOM 783 O PRO A 48 -5.352 -12.907 -9.000 1.00 0.00 O ATOM 784 CB PRO A 48 -3.096 -12.704 -6.229 1.00 0.00 C ATOM 785 CG PRO A 48 -4.224 -13.052 -5.262 1.00 0.00 C ATOM 786 CD PRO A 48 -5.184 -11.869 -5.393 1.00 0.00 C ATOM 0 HA PRO A 48 -3.121 -11.281 -7.867 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.574 -13.598 -6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.353 -12.061 -5.758 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.706 -13.992 -5.530 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.858 -13.161 -4.241 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.217 -12.179 -5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.968 -11.100 -4.651 1.00 0.00 H new ATOM 794 N GLN A 49 -3.245 -13.692 -9.009 1.00 0.00 N ATOM 795 CA GLN A 49 -3.459 -14.682 -10.079 1.00 0.00 C ATOM 796 C GLN A 49 -2.952 -16.069 -9.643 1.00 0.00 C ATOM 797 O GLN A 49 -3.715 -16.865 -9.109 1.00 0.00 O ATOM 798 CB GLN A 49 -2.799 -14.169 -11.368 1.00 0.00 C ATOM 799 CG GLN A 49 -2.909 -15.181 -12.512 1.00 0.00 C ATOM 800 CD GLN A 49 -3.918 -14.763 -13.573 1.00 0.00 C ATOM 801 OE1 GLN A 49 -5.097 -14.533 -13.348 1.00 0.00 O ATOM 802 NE2 GLN A 49 -3.425 -14.684 -14.782 1.00 0.00 N ATOM 0 H GLN A 49 -2.283 -13.649 -8.674 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.523 -14.806 -10.280 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.268 -13.232 -11.667 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.748 -13.952 -11.176 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.931 -15.306 -12.976 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.196 -16.151 -12.107 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.437 -14.881 -14.944 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.028 -14.426 -15.563 1.00 0.00 H new ATOM 811 N THR A 50 -1.643 -16.261 -9.815 1.00 0.00 N ATOM 812 CA THR A 50 -0.897 -17.499 -9.501 1.00 0.00 C ATOM 813 C THR A 50 -1.067 -17.874 -8.020 1.00 0.00 C ATOM 814 O THR A 50 -2.078 -18.449 -7.628 1.00 0.00 O ATOM 815 CB THR A 50 0.581 -17.399 -9.982 1.00 0.00 C ATOM 816 OG1 THR A 50 1.381 -18.424 -9.384 1.00 0.00 O ATOM 817 CG2 THR A 50 1.244 -16.035 -9.736 1.00 0.00 C ATOM 0 H THR A 50 -1.040 -15.531 -10.193 1.00 0.00 H new ATOM 0 HA THR A 50 -1.320 -18.332 -10.062 1.00 0.00 H new ATOM 0 HB THR A 50 0.530 -17.530 -11.063 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.305 -18.344 -9.701 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.270 -16.058 -10.102 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.688 -15.260 -10.263 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.245 -15.818 -8.668 1.00 0.00 H new ATOM 825 N LEU A 51 -0.112 -17.420 -7.212 1.00 0.00 N ATOM 826 CA LEU A 51 -0.041 -17.628 -5.755 1.00 0.00 C ATOM 827 C LEU A 51 1.245 -17.008 -5.175 1.00 0.00 C ATOM 828 O LEU A 51 1.921 -17.554 -4.305 1.00 0.00 O ATOM 829 CB LEU A 51 -0.100 -19.134 -5.455 1.00 0.00 C ATOM 830 CG LEU A 51 -0.823 -19.448 -4.144 1.00 0.00 C ATOM 831 CD1 LEU A 51 -2.280 -18.968 -4.161 1.00 0.00 C ATOM 832 CD2 LEU A 51 -0.777 -20.958 -3.916 1.00 0.00 C ATOM 0 H LEU A 51 0.672 -16.871 -7.564 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.889 -17.133 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.606 -19.644 -6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.914 -19.531 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.320 -18.919 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.755 -19.212 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.306 -17.889 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.816 -19.462 -4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.288 -21.201 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.271 -21.466 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.261 -21.285 -3.856 1.00 0.00 H new ATOM 844 N LYS A 52 1.619 -15.881 -5.765 1.00 0.00 N ATOM 845 CA LYS A 52 2.811 -15.132 -5.332 1.00 0.00 C ATOM 846 C LYS A 52 2.398 -13.772 -4.759 1.00 0.00 C ATOM 847 O LYS A 52 2.933 -13.312 -3.751 1.00 0.00 O ATOM 848 CB LYS A 52 3.801 -14.989 -6.496 1.00 0.00 C ATOM 849 CG LYS A 52 4.166 -16.321 -7.160 1.00 0.00 C ATOM 850 CD LYS A 52 5.287 -16.149 -8.184 1.00 0.00 C ATOM 851 CE LYS A 52 5.406 -17.404 -9.049 1.00 0.00 C ATOM 852 NZ LYS A 52 6.664 -17.397 -9.807 1.00 0.00 N ATOM 0 H LYS A 52 1.119 -15.457 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 52 3.317 -15.683 -4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.373 -14.324 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.711 -14.513 -6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.475 -17.036 -6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.286 -16.738 -7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.085 -15.282 -8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.231 -15.959 -7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.361 -18.292 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.562 -17.459 -9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.724 -18.258 -10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.693 -16.560 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.467 -17.368 -9.147 1.00 0.00 H new ATOM 866 N GLU A 53 1.416 -13.129 -5.403 1.00 0.00 N ATOM 867 CA GLU A 53 0.828 -11.886 -4.888 1.00 0.00 C ATOM 868 C GLU A 53 -0.193 -12.128 -3.759 1.00 0.00 C ATOM 869 O GLU A 53 -1.366 -11.763 -3.834 1.00 0.00 O ATOM 870 CB GLU A 53 0.324 -11.014 -6.051 1.00 0.00 C ATOM 871 CG GLU A 53 -0.430 -9.762 -5.591 1.00 0.00 C ATOM 872 CD GLU A 53 0.097 -9.108 -4.300 1.00 0.00 C ATOM 873 OE1 GLU A 53 1.342 -8.964 -4.198 1.00 0.00 O ATOM 874 OE2 GLU A 53 -0.716 -8.923 -3.371 1.00 0.00 O ATOM 0 H GLU A 53 1.011 -13.449 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 53 1.608 -11.308 -4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.173 -10.713 -6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.331 -11.611 -6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.396 -9.024 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.478 -10.024 -5.444 1.00 0.00 H new ATOM 881 N THR A 54 0.376 -12.468 -2.615 1.00 0.00 N ATOM 882 CA THR A 54 -0.426 -12.794 -1.413 1.00 0.00 C ATOM 883 C THR A 54 0.453 -12.697 -0.148 1.00 0.00 C ATOM 884 O THR A 54 0.339 -13.487 0.784 1.00 0.00 O ATOM 885 CB THR A 54 -1.126 -14.169 -1.568 1.00 0.00 C ATOM 886 OG1 THR A 54 -1.716 -14.320 -2.869 1.00 0.00 O ATOM 887 CG2 THR A 54 -2.267 -14.333 -0.563 1.00 0.00 C ATOM 0 H THR A 54 1.385 -12.530 -2.477 1.00 0.00 H new ATOM 0 HA THR A 54 -1.226 -12.062 -1.302 1.00 0.00 H new ATOM 0 HB THR A 54 -0.347 -14.914 -1.404 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.147 -15.198 -2.933 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.735 -15.308 -0.700 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.873 -14.259 0.450 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.008 -13.549 -0.722 1.00 0.00 H new ATOM 895 N SER A 55 1.207 -11.598 -0.063 1.00 0.00 N ATOM 896 CA SER A 55 2.066 -11.296 1.109 1.00 0.00 C ATOM 897 C SER A 55 1.553 -10.103 1.936 1.00 0.00 C ATOM 898 O SER A 55 2.297 -9.341 2.553 1.00 0.00 O ATOM 899 CB SER A 55 3.506 -11.045 0.648 1.00 0.00 C ATOM 900 OG SER A 55 4.344 -12.048 1.220 1.00 0.00 O ATOM 0 H SER A 55 1.247 -10.889 -0.795 1.00 0.00 H new ATOM 0 HA SER A 55 2.033 -12.167 1.764 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.567 -11.076 -0.440 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.836 -10.053 0.958 1.00 0.00 H new ATOM 0 HG SER A 55 5.270 -11.903 0.933 1.00 0.00 H new ATOM 906 N PHE A 56 0.231 -9.943 1.897 1.00 0.00 N ATOM 907 CA PHE A 56 -0.484 -8.816 2.532 1.00 0.00 C ATOM 908 C PHE A 56 -1.781 -9.292 3.199 1.00 0.00 C ATOM 909 O PHE A 56 -1.892 -9.225 4.411 1.00 0.00 O ATOM 910 CB PHE A 56 -0.816 -7.728 1.502 1.00 0.00 C ATOM 911 CG PHE A 56 0.418 -7.262 0.731 1.00 0.00 C ATOM 912 CD1 PHE A 56 0.868 -8.010 -0.354 1.00 0.00 C ATOM 913 CD2 PHE A 56 1.100 -6.114 1.114 1.00 0.00 C ATOM 914 CE1 PHE A 56 2.006 -7.631 -1.038 1.00 0.00 C ATOM 915 CE2 PHE A 56 2.218 -5.717 0.407 1.00 0.00 C ATOM 916 CZ PHE A 56 2.691 -6.485 -0.654 1.00 0.00 C ATOM 0 H PHE A 56 -0.390 -10.596 1.419 1.00 0.00 H new ATOM 0 HA PHE A 56 0.176 -8.400 3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.557 -8.110 0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.267 -6.876 2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.324 -8.891 -0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.758 -5.535 1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.362 -8.223 -1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.729 -4.805 0.679 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.589 -6.190 -1.177 1.00 0.00 H new ATOM 926 N ASN A 57 -2.618 -9.985 2.434 1.00 0.00 N ATOM 927 CA ASN A 57 -3.870 -10.588 2.952 1.00 0.00 C ATOM 928 C ASN A 57 -3.654 -11.871 3.771 1.00 0.00 C ATOM 929 O ASN A 57 -4.481 -12.230 4.603 1.00 0.00 O ATOM 930 CB ASN A 57 -4.834 -10.852 1.794 1.00 0.00 C ATOM 931 CG ASN A 57 -5.229 -9.559 1.079 1.00 0.00 C ATOM 932 OD1 ASN A 57 -5.457 -8.506 1.665 1.00 0.00 O ATOM 933 ND2 ASN A 57 -5.215 -9.602 -0.231 1.00 0.00 N ATOM 0 H ASN A 57 -2.461 -10.152 1.440 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.298 -9.863 3.644 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.369 -11.534 1.082 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.729 -11.347 2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.395 -8.756 -0.771 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.024 -10.482 -0.710 1.00 0.00 H new ATOM 940 N GLN A 58 -2.496 -12.491 3.554 1.00 0.00 N ATOM 941 CA GLN A 58 -2.069 -13.725 4.244 1.00 0.00 C ATOM 942 C GLN A 58 -0.874 -13.555 5.190 1.00 0.00 C ATOM 943 O GLN A 58 -0.483 -14.475 5.901 1.00 0.00 O ATOM 944 CB GLN A 58 -1.766 -14.821 3.219 1.00 0.00 C ATOM 945 CG GLN A 58 -3.037 -15.583 2.835 1.00 0.00 C ATOM 946 CD GLN A 58 -3.684 -16.218 4.066 1.00 0.00 C ATOM 947 OE1 GLN A 58 -4.629 -15.705 4.651 1.00 0.00 O ATOM 948 NE2 GLN A 58 -3.151 -17.333 4.507 1.00 0.00 N ATOM 0 H GLN A 58 -1.809 -12.150 2.882 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.909 -14.006 4.879 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.321 -14.377 2.328 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.032 -15.515 3.630 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.743 -14.904 2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.796 -16.356 2.106 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.364 -17.753 4.012 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.524 -17.780 5.344 1.00 0.00 H new ATOM 957 N ALA A 59 -0.390 -12.321 5.237 1.00 0.00 N ATOM 958 CA ALA A 59 0.724 -11.928 6.111 1.00 0.00 C ATOM 959 C ALA A 59 0.252 -10.887 7.135 1.00 0.00 C ATOM 960 O ALA A 59 0.504 -11.034 8.326 1.00 0.00 O ATOM 961 CB ALA A 59 1.875 -11.401 5.247 1.00 0.00 C ATOM 0 H ALA A 59 -0.756 -11.556 4.670 1.00 0.00 H new ATOM 0 HA ALA A 59 1.084 -12.790 6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.706 -11.107 5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.204 -12.183 4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.535 -10.538 4.675 1.00 0.00 H new ATOM 967 N TYR A 60 -0.587 -9.950 6.683 1.00 0.00 N ATOM 968 CA TYR A 60 -1.101 -8.851 7.520 1.00 0.00 C ATOM 969 C TYR A 60 -2.468 -8.353 6.994 1.00 0.00 C ATOM 970 O TYR A 60 -2.579 -7.276 6.401 1.00 0.00 O ATOM 971 CB TYR A 60 -0.088 -7.696 7.507 1.00 0.00 C ATOM 972 CG TYR A 60 1.395 -8.072 7.500 1.00 0.00 C ATOM 973 CD1 TYR A 60 1.982 -8.514 8.677 1.00 0.00 C ATOM 974 CD2 TYR A 60 2.116 -8.074 6.310 1.00 0.00 C ATOM 975 CE1 TYR A 60 3.285 -8.974 8.664 1.00 0.00 C ATOM 976 CE2 TYR A 60 3.428 -8.526 6.298 1.00 0.00 C ATOM 977 CZ TYR A 60 4.004 -8.994 7.475 1.00 0.00 C ATOM 978 OH TYR A 60 5.251 -9.523 7.465 1.00 0.00 O ATOM 0 H TYR A 60 -0.933 -9.928 5.724 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.239 -9.215 8.538 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.286 -7.082 6.628 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.275 -7.072 8.381 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.422 -8.499 9.600 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.656 -7.725 5.398 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.745 -9.318 9.579 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.998 -8.515 5.381 1.00 0.00 H new ATOM 0 HH TYR A 60 5.630 -9.451 6.564 1.00 0.00 H new ATOM 988 N GLY A 61 -3.525 -9.087 7.376 1.00 0.00 N ATOM 989 CA GLY A 61 -4.928 -8.746 7.024 1.00 0.00 C ATOM 990 C GLY A 61 -5.431 -7.434 7.663 1.00 0.00 C ATOM 991 O GLY A 61 -6.515 -6.937 7.382 1.00 0.00 O ATOM 0 H GLY A 61 -3.440 -9.934 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.011 -8.666 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.579 -9.563 7.335 1.00 0.00 H new ATOM 995 N ARG A 62 -4.588 -6.891 8.532 1.00 0.00 N ATOM 996 CA ARG A 62 -4.805 -5.633 9.273 1.00 0.00 C ATOM 997 C ARG A 62 -3.991 -4.468 8.696 1.00 0.00 C ATOM 998 O ARG A 62 -4.347 -3.313 8.906 1.00 0.00 O ATOM 999 CB ARG A 62 -4.431 -5.851 10.742 1.00 0.00 C ATOM 1000 CG ARG A 62 -5.389 -6.828 11.431 1.00 0.00 C ATOM 1001 CD ARG A 62 -6.669 -6.144 11.915 1.00 0.00 C ATOM 1002 NE ARG A 62 -6.570 -5.959 13.372 1.00 0.00 N ATOM 1003 CZ ARG A 62 -7.564 -5.624 14.201 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -8.787 -5.369 13.755 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -7.345 -5.541 15.502 1.00 0.00 N ATOM 0 H ARG A 62 -3.693 -7.326 8.757 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.857 -5.365 9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.413 -6.234 10.805 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.445 -4.896 11.267 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.648 -7.629 10.738 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.884 -7.291 12.279 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.797 -5.183 11.418 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.541 -6.750 11.667 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.651 -6.101 13.791 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.988 -5.426 12.757 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.526 -5.116 14.410 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.416 -5.733 15.876 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.105 -5.285 16.132 1.00 0.00 H new ATOM 1019 N ASP A 63 -2.921 -4.788 7.962 1.00 0.00 N ATOM 1020 CA ASP A 63 -2.045 -3.796 7.313 1.00 0.00 C ATOM 1021 C ASP A 63 -2.780 -3.119 6.140 1.00 0.00 C ATOM 1022 O ASP A 63 -3.906 -2.676 6.334 1.00 0.00 O ATOM 1023 CB ASP A 63 -0.762 -4.521 6.916 1.00 0.00 C ATOM 1024 CG ASP A 63 0.375 -3.535 6.703 1.00 0.00 C ATOM 1025 OD1 ASP A 63 1.037 -3.211 7.707 1.00 0.00 O ATOM 1026 OD2 ASP A 63 0.484 -3.092 5.539 1.00 0.00 O ATOM 0 H ASP A 63 -2.632 -5.752 7.797 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.779 -2.979 7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.488 -5.236 7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.930 -5.092 6.003 1.00 0.00 H new ATOM 1031 N LEU A 64 -2.130 -2.927 4.988 1.00 0.00 N ATOM 1032 CA LEU A 64 -2.712 -2.442 3.728 1.00 0.00 C ATOM 1033 C LEU A 64 -4.213 -2.685 3.552 1.00 0.00 C ATOM 1034 O LEU A 64 -4.952 -1.712 3.566 1.00 0.00 O ATOM 1035 CB LEU A 64 -1.891 -2.993 2.565 1.00 0.00 C ATOM 1036 CG LEU A 64 -0.890 -1.936 2.105 1.00 0.00 C ATOM 1037 CD1 LEU A 64 0.325 -2.591 1.453 1.00 0.00 C ATOM 1038 CD2 LEU A 64 -1.589 -1.010 1.110 1.00 0.00 C ATOM 0 H LEU A 64 -1.131 -3.115 4.902 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.652 -1.354 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.366 -3.897 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.548 -3.270 1.741 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.539 -1.365 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.026 -1.820 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.813 -3.249 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.005 -3.172 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.889 -0.247 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.937 -1.590 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.440 -0.531 1.594 1.00 0.00 H new ATOM 1050 N MET A 65 -4.640 -3.914 3.843 1.00 0.00 N ATOM 1051 CA MET A 65 -6.062 -4.304 3.843 1.00 0.00 C ATOM 1052 C MET A 65 -6.969 -3.289 4.576 1.00 0.00 C ATOM 1053 O MET A 65 -7.795 -2.645 3.934 1.00 0.00 O ATOM 1054 CB MET A 65 -6.152 -5.707 4.446 1.00 0.00 C ATOM 1055 CG MET A 65 -7.579 -6.253 4.450 1.00 0.00 C ATOM 1056 SD MET A 65 -7.599 -8.075 4.323 1.00 0.00 S ATOM 1057 CE MET A 65 -8.805 -8.462 5.571 1.00 0.00 C ATOM 0 H MET A 65 -4.009 -4.677 4.088 1.00 0.00 H new ATOM 0 HA MET A 65 -6.438 -4.309 2.820 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.510 -6.383 3.882 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.772 -5.685 5.467 1.00 0.00 H new ATOM 0 HG2 MET A 65 -8.085 -5.945 5.365 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.137 -5.823 3.618 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.302 -9.398 5.318 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.310 -8.563 6.537 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.543 -7.662 5.624 1.00 0.00 H new ATOM 1067 N GLU A 66 -6.605 -2.960 5.813 1.00 0.00 N ATOM 1068 CA GLU A 66 -7.286 -1.908 6.593 1.00 0.00 C ATOM 1069 C GLU A 66 -6.745 -0.493 6.331 1.00 0.00 C ATOM 1070 O GLU A 66 -7.546 0.422 6.163 1.00 0.00 O ATOM 1071 CB GLU A 66 -7.303 -2.221 8.089 1.00 0.00 C ATOM 1072 CG GLU A 66 -8.180 -3.444 8.374 1.00 0.00 C ATOM 1073 CD GLU A 66 -8.811 -3.391 9.766 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -8.096 -3.036 10.731 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -10.046 -3.574 9.819 1.00 0.00 O ATOM 0 H GLU A 66 -5.834 -3.408 6.309 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.315 -1.912 6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.287 -2.406 8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.679 -1.360 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.967 -3.508 7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.579 -4.349 8.284 1.00 0.00 H new ATOM 1082 N ALA A 67 -5.445 -0.382 6.054 1.00 0.00 N ATOM 1083 CA ALA A 67 -4.780 0.877 5.634 1.00 0.00 C ATOM 1084 C ALA A 67 -5.413 1.534 4.389 1.00 0.00 C ATOM 1085 O ALA A 67 -5.215 2.721 4.136 1.00 0.00 O ATOM 1086 CB ALA A 67 -3.290 0.631 5.368 1.00 0.00 C ATOM 0 H ALA A 67 -4.803 -1.172 6.113 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.915 1.571 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.816 1.563 5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.814 0.264 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.179 -0.110 4.576 1.00 0.00 H new ATOM 1092 N GLN A 68 -6.136 0.723 3.618 1.00 0.00 N ATOM 1093 CA GLN A 68 -6.923 1.142 2.446 1.00 0.00 C ATOM 1094 C GLN A 68 -8.440 0.984 2.646 1.00 0.00 C ATOM 1095 O GLN A 68 -9.198 1.653 1.955 1.00 0.00 O ATOM 1096 CB GLN A 68 -6.469 0.338 1.222 1.00 0.00 C ATOM 1097 CG GLN A 68 -7.064 -1.076 1.181 1.00 0.00 C ATOM 1098 CD GLN A 68 -6.078 -2.123 0.710 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -4.883 -2.051 0.963 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -6.585 -3.153 0.081 1.00 0.00 N ATOM 0 H GLN A 68 -6.196 -0.280 3.793 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.741 2.206 2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.754 0.873 0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.381 0.269 1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.420 -1.343 2.176 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.931 -1.080 0.521 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.585 -3.188 -0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.980 -3.921 -0.211 1.00 0.00 H new ATOM 1109 N GLU A 69 -8.881 0.025 3.470 1.00 0.00 N ATOM 1110 CA GLU A 69 -10.319 -0.235 3.727 1.00 0.00 C ATOM 1111 C GLU A 69 -11.053 1.040 4.166 1.00 0.00 C ATOM 1112 O GLU A 69 -12.218 1.265 3.841 1.00 0.00 O ATOM 1113 CB GLU A 69 -10.477 -1.313 4.801 1.00 0.00 C ATOM 1114 CG GLU A 69 -11.856 -1.971 4.728 1.00 0.00 C ATOM 1115 CD GLU A 69 -12.013 -3.045 5.805 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -11.518 -4.167 5.563 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -12.656 -2.727 6.828 1.00 0.00 O ATOM 0 H GLU A 69 -8.256 -0.598 3.982 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.763 -0.580 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.703 -2.070 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.334 -0.871 5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.630 -1.214 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.998 -2.416 3.743 1.00 0.00 H new ATOM 1124 N TRP A 70 -10.271 1.937 4.754 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.704 3.289 5.118 1.00 0.00 C ATOM 1126 C TRP A 70 -10.592 4.234 3.907 1.00 0.00 C ATOM 1127 O TRP A 70 -10.352 5.418 4.088 1.00 0.00 O ATOM 1128 CB TRP A 70 -9.836 3.761 6.296 1.00 0.00 C ATOM 1129 CG TRP A 70 -9.607 2.702 7.391 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -8.428 2.489 7.974 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -10.470 1.706 7.814 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -8.516 1.413 8.757 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -9.734 0.901 8.683 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -11.810 1.418 7.579 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -10.342 -0.176 9.311 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -12.426 0.363 8.246 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -11.695 -0.430 9.111 1.00 0.00 C ATOM 0 H TRP A 70 -9.299 1.746 4.998 1.00 0.00 H new ATOM 0 HA TRP A 70 -11.751 3.291 5.419 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.868 4.081 5.911 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.305 4.635 6.747 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.543 3.091 7.835 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -7.757 1.040 9.328 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -12.374 2.014 6.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.763 -0.819 9.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -13.476 0.164 8.088 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.174 -1.246 9.631 1.00 0.00 H new ATOM 1148 N CYS A 71 -10.827 3.737 2.688 1.00 0.00 N ATOM 1149 CA CYS A 71 -10.764 4.534 1.444 1.00 0.00 C ATOM 1150 C CYS A 71 -12.006 5.411 1.281 1.00 0.00 C ATOM 1151 O CYS A 71 -11.874 6.623 1.248 1.00 0.00 O ATOM 1152 CB CYS A 71 -10.600 3.673 0.186 1.00 0.00 C ATOM 1153 SG CYS A 71 -10.394 4.673 -1.336 1.00 0.00 S ATOM 0 H CYS A 71 -11.070 2.759 2.529 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.877 5.159 1.546 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.735 3.022 0.307 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.472 3.028 0.076 1.00 0.00 H new ATOM 0 HG CYS A 71 -10.104 3.891 -2.333 1.00 0.00 H new ATOM 1159 N ARG A 72 -13.179 4.812 1.452 1.00 0.00 N ATOM 1160 CA ARG A 72 -14.480 5.532 1.478 1.00 0.00 C ATOM 1161 C ARG A 72 -14.537 6.630 2.559 1.00 0.00 C ATOM 1162 O ARG A 72 -15.160 7.677 2.385 1.00 0.00 O ATOM 1163 CB ARG A 72 -15.606 4.507 1.658 1.00 0.00 C ATOM 1164 CG ARG A 72 -15.399 3.656 2.916 1.00 0.00 C ATOM 1165 CD ARG A 72 -15.996 2.258 2.752 1.00 0.00 C ATOM 1166 NE ARG A 72 -17.293 2.152 3.434 1.00 0.00 N ATOM 1167 CZ ARG A 72 -17.497 2.097 4.759 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -16.500 2.176 5.631 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -18.725 1.964 5.226 1.00 0.00 N ATOM 0 H ARG A 72 -13.272 3.804 1.579 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.603 6.054 0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.563 5.025 1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.652 3.859 0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.333 3.575 3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.859 4.151 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.120 2.034 1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.308 1.516 3.156 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.122 2.117 2.840 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.541 2.282 5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.693 2.131 6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.512 1.904 4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.886 1.922 6.232 1.00 0.00 H new ATOM 1183 N LYS A 73 -13.685 6.442 3.568 1.00 0.00 N ATOM 1184 CA LYS A 73 -13.489 7.375 4.682 1.00 0.00 C ATOM 1185 C LYS A 73 -12.367 8.378 4.371 1.00 0.00 C ATOM 1186 O LYS A 73 -12.659 9.549 4.215 1.00 0.00 O ATOM 1187 CB LYS A 73 -13.247 6.599 5.979 1.00 0.00 C ATOM 1188 CG LYS A 73 -14.589 6.249 6.624 1.00 0.00 C ATOM 1189 CD LYS A 73 -14.678 6.954 7.976 1.00 0.00 C ATOM 1190 CE LYS A 73 -16.121 7.087 8.461 1.00 0.00 C ATOM 1191 NZ LYS A 73 -16.165 7.974 9.631 1.00 0.00 N ATOM 0 H LYS A 73 -13.095 5.613 3.636 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.395 7.964 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.684 5.689 5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.647 7.196 6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.411 6.561 5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.677 5.170 6.753 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.098 6.398 8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.229 7.944 7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.748 7.487 7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.521 6.106 8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.147 8.065 9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.579 7.574 10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.800 8.912 9.369 1.00 0.00 H new ATOM 1205 N TYR A 74 -11.206 7.907 3.947 1.00 0.00 N ATOM 1206 CA TYR A 74 -10.093 8.765 3.491 1.00 0.00 C ATOM 1207 C TYR A 74 -10.393 9.615 2.232 1.00 0.00 C ATOM 1208 O TYR A 74 -9.697 10.578 1.938 1.00 0.00 O ATOM 1209 CB TYR A 74 -8.877 7.857 3.302 1.00 0.00 C ATOM 1210 CG TYR A 74 -7.565 8.562 2.982 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -7.327 9.884 3.344 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -6.633 7.863 2.230 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -6.189 10.528 2.905 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -5.479 8.497 1.815 1.00 0.00 C ATOM 1215 CZ TYR A 74 -5.280 9.838 2.111 1.00 0.00 C ATOM 1216 OH TYR A 74 -4.319 10.512 1.451 1.00 0.00 O ATOM 0 H TYR A 74 -10.994 6.910 3.904 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.909 9.523 4.252 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.740 7.271 4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.094 7.153 2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.035 10.407 3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.809 6.829 1.971 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.006 11.558 3.175 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.731 7.950 1.260 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.311 10.234 0.511 1.00 0.00 H new ATOM 1226 N MET A 75 -11.445 9.249 1.512 1.00 0.00 N ATOM 1227 CA MET A 75 -11.939 9.965 0.323 1.00 0.00 C ATOM 1228 C MET A 75 -12.892 11.111 0.675 1.00 0.00 C ATOM 1229 O MET A 75 -12.578 12.272 0.430 1.00 0.00 O ATOM 1230 CB MET A 75 -12.624 8.969 -0.609 1.00 0.00 C ATOM 1231 CG MET A 75 -11.661 8.440 -1.669 1.00 0.00 C ATOM 1232 SD MET A 75 -12.159 8.986 -3.343 1.00 0.00 S ATOM 1233 CE MET A 75 -13.666 8.057 -3.546 1.00 0.00 C ATOM 0 H MET A 75 -12.000 8.424 1.738 1.00 0.00 H new ATOM 0 HA MET A 75 -11.082 10.420 -0.174 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.019 8.136 -0.027 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.473 9.449 -1.095 1.00 0.00 H new ATOM 0 HG2 MET A 75 -10.651 8.790 -1.454 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.636 7.351 -1.631 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.910 7.986 -4.606 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.534 7.056 -3.136 1.00 0.00 H new ATOM 0 HE3 MET A 75 -14.477 8.560 -3.020 1.00 0.00 H new ATOM 1243 N LYS A 76 -14.025 10.758 1.281 1.00 0.00 N ATOM 1244 CA LYS A 76 -15.055 11.743 1.650 1.00 0.00 C ATOM 1245 C LYS A 76 -14.776 12.438 2.988 1.00 0.00 C ATOM 1246 O LYS A 76 -14.775 13.662 3.072 1.00 0.00 O ATOM 1247 CB LYS A 76 -16.439 11.100 1.667 1.00 0.00 C ATOM 1248 CG LYS A 76 -17.237 11.638 0.483 1.00 0.00 C ATOM 1249 CD LYS A 76 -18.719 11.681 0.840 1.00 0.00 C ATOM 1250 CE LYS A 76 -19.457 12.635 -0.097 1.00 0.00 C ATOM 1251 NZ LYS A 76 -20.391 13.460 0.680 1.00 0.00 N ATOM 0 H LYS A 76 -14.258 9.797 1.530 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.024 12.516 0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.353 10.015 1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.950 11.326 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.887 12.636 0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.082 11.005 -0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.148 10.682 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.843 12.005 1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.744 13.271 -0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.999 12.070 -0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.894 14.110 0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.079 12.846 1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.863 14.009 1.388 1.00 0.00 H new ATOM 1265 N SER A 77 -14.423 11.628 3.976 1.00 0.00 N ATOM 1266 CA SER A 77 -14.044 12.127 5.314 1.00 0.00 C ATOM 1267 C SER A 77 -12.646 12.759 5.245 1.00 0.00 C ATOM 1268 O SER A 77 -12.398 13.749 5.931 1.00 0.00 O ATOM 1269 CB SER A 77 -14.113 10.971 6.323 1.00 0.00 C ATOM 1270 OG SER A 77 -14.262 11.414 7.671 1.00 0.00 O ATOM 0 H SER A 77 -14.387 10.613 3.886 1.00 0.00 H new ATOM 0 HA SER A 77 -14.737 12.899 5.648 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.949 10.321 6.066 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.207 10.371 6.242 1.00 0.00 H new ATOM 0 HG SER A 77 -14.302 10.638 8.268 1.00 0.00 H new ATOM 1276 N GLY A 78 -11.738 12.169 4.433 1.00 0.00 N ATOM 1277 CA GLY A 78 -10.360 12.665 4.212 1.00 0.00 C ATOM 1278 C GLY A 78 -9.622 12.960 5.526 1.00 0.00 C ATOM 1279 O GLY A 78 -8.664 13.729 5.586 1.00 0.00 O ATOM 0 H GLY A 78 -11.946 11.322 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.798 11.925 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.396 13.572 3.608 1.00 0.00 H new ATOM 1283 N ASN A 79 -10.055 12.244 6.557 1.00 0.00 N ATOM 1284 CA ASN A 79 -9.643 12.508 7.932 1.00 0.00 C ATOM 1285 C ASN A 79 -8.302 11.822 8.132 1.00 0.00 C ATOM 1286 O ASN A 79 -8.173 10.603 7.984 1.00 0.00 O ATOM 1287 CB ASN A 79 -10.718 12.007 8.906 1.00 0.00 C ATOM 1288 CG ASN A 79 -11.208 13.117 9.844 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -10.968 14.305 9.669 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -11.790 12.739 10.960 1.00 0.00 N ATOM 0 H ASN A 79 -10.703 11.462 6.464 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.532 13.574 8.128 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.562 11.611 8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.316 11.184 9.497 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.036 13.432 11.667 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.996 11.753 11.119 1.00 0.00 H new ATOM 1297 N VAL A 80 -7.312 12.663 8.409 1.00 0.00 N ATOM 1298 CA VAL A 80 -5.951 12.204 8.772 1.00 0.00 C ATOM 1299 C VAL A 80 -6.011 11.152 9.893 1.00 0.00 C ATOM 1300 O VAL A 80 -5.138 10.301 9.944 1.00 0.00 O ATOM 1301 CB VAL A 80 -4.996 13.372 9.105 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -3.577 12.903 9.458 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -4.876 14.331 7.917 1.00 0.00 C ATOM 0 H VAL A 80 -7.416 13.678 8.392 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.524 11.723 7.892 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.433 13.867 9.972 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.953 13.768 9.682 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.616 12.249 10.329 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.153 12.359 8.614 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.199 15.146 8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.485 13.793 7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.858 14.738 7.677 1.00 0.00 H new ATOM 1313 N LYS A 81 -7.121 11.069 10.628 1.00 0.00 N ATOM 1314 CA LYS A 81 -7.417 9.939 11.534 1.00 0.00 C ATOM 1315 C LYS A 81 -7.306 8.527 10.919 1.00 0.00 C ATOM 1316 O LYS A 81 -6.891 7.593 11.598 1.00 0.00 O ATOM 1317 CB LYS A 81 -8.770 10.138 12.225 1.00 0.00 C ATOM 1318 CG LYS A 81 -8.744 11.261 13.272 1.00 0.00 C ATOM 1319 CD LYS A 81 -7.582 11.100 14.259 1.00 0.00 C ATOM 1320 CE LYS A 81 -7.896 11.722 15.617 1.00 0.00 C ATOM 1321 NZ LYS A 81 -6.671 11.828 16.421 1.00 0.00 N ATOM 0 H LYS A 81 -7.849 11.783 10.617 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.614 9.966 12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.526 10.365 11.474 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.068 9.206 12.706 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.661 12.224 12.768 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.686 11.268 13.820 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.360 10.041 14.388 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.687 11.565 13.845 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.336 12.710 15.480 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.633 11.114 16.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.897 12.253 17.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.268 10.880 16.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.980 12.426 15.924 1.00 0.00 H new ATOM 1335 N ASP A 82 -7.470 8.448 9.600 1.00 0.00 N ATOM 1336 CA ASP A 82 -7.239 7.216 8.814 1.00 0.00 C ATOM 1337 C ASP A 82 -5.780 7.102 8.337 1.00 0.00 C ATOM 1338 O ASP A 82 -5.191 6.025 8.389 1.00 0.00 O ATOM 1339 CB ASP A 82 -8.187 7.172 7.607 1.00 0.00 C ATOM 1340 CG ASP A 82 -9.668 7.134 8.000 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -10.017 6.355 8.911 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -10.415 7.961 7.427 1.00 0.00 O ATOM 0 H ASP A 82 -7.770 9.240 9.032 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.441 6.369 9.469 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.007 8.046 6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.956 6.294 7.004 1.00 0.00 H new ATOM 1347 N LEU A 83 -5.152 8.249 8.087 1.00 0.00 N ATOM 1348 CA LEU A 83 -3.761 8.350 7.606 1.00 0.00 C ATOM 1349 C LEU A 83 -2.719 8.227 8.730 1.00 0.00 C ATOM 1350 O LEU A 83 -1.785 7.453 8.590 1.00 0.00 O ATOM 1351 CB LEU A 83 -3.571 9.654 6.816 1.00 0.00 C ATOM 1352 CG LEU A 83 -2.735 9.514 5.529 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -1.280 9.115 5.795 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -3.386 8.530 4.555 1.00 0.00 C ATOM 0 H LEU A 83 -5.598 9.157 8.213 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.589 7.499 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.552 10.050 6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.094 10.389 7.464 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.713 10.505 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.746 9.033 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.803 9.873 6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.254 8.155 6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.775 8.450 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.467 7.551 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.381 8.887 4.288 1.00 0.00 H new ATOM 1366 N THR A 84 -2.984 8.819 9.893 1.00 0.00 N ATOM 1367 CA THR A 84 -2.207 8.656 11.148 1.00 0.00 C ATOM 1368 C THR A 84 -2.012 7.173 11.548 1.00 0.00 C ATOM 1369 O THR A 84 -1.031 6.792 12.177 1.00 0.00 O ATOM 1370 CB THR A 84 -2.840 9.463 12.303 1.00 0.00 C ATOM 1371 OG1 THR A 84 -2.011 9.396 13.461 1.00 0.00 O ATOM 1372 CG2 THR A 84 -4.251 9.020 12.696 1.00 0.00 C ATOM 0 H THR A 84 -3.775 9.453 10.005 1.00 0.00 H new ATOM 0 HA THR A 84 -1.213 9.057 10.950 1.00 0.00 H new ATOM 0 HB THR A 84 -2.922 10.481 11.922 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.420 9.912 14.187 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.613 9.643 13.514 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.917 9.123 11.839 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.229 7.978 13.016 1.00 0.00 H new ATOM 1380 N GLN A 85 -2.925 6.338 11.063 1.00 0.00 N ATOM 1381 CA GLN A 85 -2.880 4.879 11.255 1.00 0.00 C ATOM 1382 C GLN A 85 -2.402 4.128 10.009 1.00 0.00 C ATOM 1383 O GLN A 85 -1.534 3.263 10.109 1.00 0.00 O ATOM 1384 CB GLN A 85 -4.266 4.413 11.669 1.00 0.00 C ATOM 1385 CG GLN A 85 -4.190 3.855 13.088 1.00 0.00 C ATOM 1386 CD GLN A 85 -5.514 3.974 13.840 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -6.579 4.285 13.315 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -5.449 3.787 15.133 1.00 0.00 N ATOM 0 H GLN A 85 -3.729 6.651 10.519 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.150 4.654 12.033 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.972 5.242 11.626 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.629 3.649 10.981 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.893 2.807 13.046 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.414 4.384 13.641 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.563 3.529 15.567 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.284 3.900 15.707 1.00 0.00 H new ATOM 1397 N ALA A 86 -2.823 4.607 8.838 1.00 0.00 N ATOM 1398 CA ALA A 86 -2.355 4.088 7.541 1.00 0.00 C ATOM 1399 C ALA A 86 -0.842 4.285 7.386 1.00 0.00 C ATOM 1400 O ALA A 86 -0.177 3.337 7.006 1.00 0.00 O ATOM 1401 CB ALA A 86 -3.105 4.739 6.377 1.00 0.00 C ATOM 0 H ALA A 86 -3.499 5.367 8.756 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.566 3.019 7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.736 4.334 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.171 4.530 6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.943 5.817 6.397 1.00 0.00 H new ATOM 1407 N TRP A 87 -0.300 5.362 7.955 1.00 0.00 N ATOM 1408 CA TRP A 87 1.146 5.636 8.037 1.00 0.00 C ATOM 1409 C TRP A 87 1.847 4.545 8.861 1.00 0.00 C ATOM 1410 O TRP A 87 2.802 3.949 8.379 1.00 0.00 O ATOM 1411 CB TRP A 87 1.391 7.052 8.594 1.00 0.00 C ATOM 1412 CG TRP A 87 2.244 7.158 9.875 1.00 0.00 C ATOM 1413 CD1 TRP A 87 1.810 7.482 11.092 1.00 0.00 C ATOM 1414 CD2 TRP A 87 3.589 6.882 9.986 1.00 0.00 C ATOM 1415 NE1 TRP A 87 2.821 7.402 11.958 1.00 0.00 N ATOM 1416 CE2 TRP A 87 3.926 7.037 11.329 1.00 0.00 C ATOM 1417 CE3 TRP A 87 4.551 6.516 9.062 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 5.237 6.826 11.739 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 5.860 6.301 9.479 1.00 0.00 C ATOM 1420 CH2 TRP A 87 6.202 6.443 10.809 1.00 0.00 C ATOM 0 H TRP A 87 -0.866 6.093 8.386 1.00 0.00 H new ATOM 0 HA TRP A 87 1.580 5.609 7.038 1.00 0.00 H new ATOM 0 HB2 TRP A 87 1.872 7.645 7.816 1.00 0.00 H new ATOM 0 HB3 TRP A 87 0.423 7.511 8.792 1.00 0.00 H new ATOM 0 HD1 TRP A 87 0.797 7.765 11.339 1.00 0.00 H new ATOM 0 HE1 TRP A 87 2.752 7.594 12.957 1.00 0.00 H new ATOM 0 HE3 TRP A 87 4.287 6.398 8.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 5.508 6.959 12.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 6.614 6.021 8.758 1.00 0.00 H new ATOM 0 HH2 TRP A 87 7.217 6.257 11.129 1.00 0.00 H new ATOM 1431 N ASP A 88 1.210 4.154 9.965 1.00 0.00 N ATOM 1432 CA ASP A 88 1.741 3.107 10.851 1.00 0.00 C ATOM 1433 C ASP A 88 1.709 1.763 10.119 1.00 0.00 C ATOM 1434 O ASP A 88 2.774 1.204 9.958 1.00 0.00 O ATOM 1435 CB ASP A 88 0.977 3.030 12.176 1.00 0.00 C ATOM 1436 CG ASP A 88 1.803 2.341 13.270 1.00 0.00 C ATOM 1437 OD1 ASP A 88 2.267 1.202 13.029 1.00 0.00 O ATOM 1438 OD2 ASP A 88 1.945 2.972 14.338 1.00 0.00 O ATOM 0 H ASP A 88 0.320 4.547 10.272 1.00 0.00 H new ATOM 0 HA ASP A 88 2.771 3.360 11.103 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.710 4.036 12.501 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.045 2.485 12.027 1.00 0.00 H new ATOM 1443 N LEU A 89 0.616 1.449 9.421 1.00 0.00 N ATOM 1444 CA LEU A 89 0.500 0.197 8.642 1.00 0.00 C ATOM 1445 C LEU A 89 1.407 0.176 7.399 1.00 0.00 C ATOM 1446 O LEU A 89 2.197 -0.746 7.228 1.00 0.00 O ATOM 1447 CB LEU A 89 -0.964 -0.059 8.261 1.00 0.00 C ATOM 1448 CG LEU A 89 -1.866 -0.273 9.484 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.333 -0.264 9.057 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -1.544 -1.587 10.206 1.00 0.00 C ATOM 0 H LEU A 89 -0.211 2.044 9.374 1.00 0.00 H new ATOM 0 HA LEU A 89 0.848 -0.612 9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.338 0.786 7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.019 -0.936 7.616 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.679 0.545 10.180 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.967 -0.416 9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.572 0.695 8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.508 -1.064 8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.204 -1.701 11.066 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.691 -2.423 9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.508 -1.572 10.544 1.00 0.00 H new ATOM 1462 N TYR A 90 1.458 1.305 6.700 1.00 0.00 N ATOM 1463 CA TYR A 90 2.329 1.543 5.533 1.00 0.00 C ATOM 1464 C TYR A 90 3.812 1.423 5.886 1.00 0.00 C ATOM 1465 O TYR A 90 4.539 0.723 5.195 1.00 0.00 O ATOM 1466 CB TYR A 90 2.079 2.929 4.928 1.00 0.00 C ATOM 1467 CG TYR A 90 0.811 2.997 4.074 1.00 0.00 C ATOM 1468 CD1 TYR A 90 0.526 1.997 3.153 1.00 0.00 C ATOM 1469 CD2 TYR A 90 -0.011 4.115 4.149 1.00 0.00 C ATOM 1470 CE1 TYR A 90 -0.559 2.119 2.306 1.00 0.00 C ATOM 1471 CE2 TYR A 90 -1.118 4.227 3.323 1.00 0.00 C ATOM 1472 CZ TYR A 90 -1.403 3.215 2.417 1.00 0.00 C ATOM 1473 OH TYR A 90 -2.601 3.192 1.795 1.00 0.00 O ATOM 0 H TYR A 90 0.879 2.112 6.930 1.00 0.00 H new ATOM 0 HA TYR A 90 2.078 0.772 4.805 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.007 3.661 5.732 1.00 0.00 H new ATOM 0 HB3 TYR A 90 2.936 3.211 4.316 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.155 1.121 3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.214 4.901 4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.750 1.363 1.559 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.755 5.097 3.384 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.076 4.031 1.969 1.00 0.00 H new ATOM 1483 N TYR A 91 4.194 2.033 7.000 1.00 0.00 N ATOM 1484 CA TYR A 91 5.563 1.991 7.545 1.00 0.00 C ATOM 1485 C TYR A 91 5.922 0.667 8.238 1.00 0.00 C ATOM 1486 O TYR A 91 6.976 0.091 7.986 1.00 0.00 O ATOM 1487 CB TYR A 91 5.702 3.143 8.529 1.00 0.00 C ATOM 1488 CG TYR A 91 7.160 3.399 8.879 1.00 0.00 C ATOM 1489 CD1 TYR A 91 8.001 3.930 7.913 1.00 0.00 C ATOM 1490 CD2 TYR A 91 7.581 3.265 10.196 1.00 0.00 C ATOM 1491 CE1 TYR A 91 9.279 4.325 8.258 1.00 0.00 C ATOM 1492 CE2 TYR A 91 8.861 3.658 10.544 1.00 0.00 C ATOM 1493 CZ TYR A 91 9.713 4.175 9.571 1.00 0.00 C ATOM 1494 OH TYR A 91 10.998 4.463 9.879 1.00 0.00 O ATOM 0 H TYR A 91 3.553 2.586 7.570 1.00 0.00 H new ATOM 0 HA TYR A 91 6.257 2.078 6.709 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.265 4.045 8.100 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.142 2.918 9.437 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.658 4.034 6.894 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.915 2.857 10.942 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.937 4.748 7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.198 3.564 11.566 1.00 0.00 H new ATOM 0 HH TYR A 91 11.148 4.309 10.835 1.00 0.00 H new ATOM 1504 N HIS A 92 4.995 0.172 9.051 1.00 0.00 N ATOM 1505 CA HIS A 92 5.099 -1.136 9.732 1.00 0.00 C ATOM 1506 C HIS A 92 5.313 -2.245 8.696 1.00 0.00 C ATOM 1507 O HIS A 92 6.241 -3.025 8.862 1.00 0.00 O ATOM 1508 CB HIS A 92 3.837 -1.427 10.544 1.00 0.00 C ATOM 1509 CG HIS A 92 3.942 -2.714 11.389 1.00 0.00 C ATOM 1510 ND1 HIS A 92 4.939 -3.034 12.175 1.00 0.00 N ATOM 1511 CD2 HIS A 92 3.077 -3.715 11.342 1.00 0.00 C ATOM 1512 CE1 HIS A 92 4.708 -4.275 12.638 1.00 0.00 C ATOM 1513 NE2 HIS A 92 3.556 -4.684 12.124 1.00 0.00 N ATOM 0 H HIS A 92 4.131 0.669 9.266 1.00 0.00 H new ATOM 0 HA HIS A 92 5.950 -1.103 10.413 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.634 -0.583 11.203 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.988 -1.513 9.866 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.157 -3.742 10.777 1.00 0.00 H new ATOM 0 HE1 HIS A 92 5.344 -4.836 13.306 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.112 -5.586 12.297 1.00 0.00 H new ATOM 1521 N VAL A 93 4.659 -2.092 7.543 1.00 0.00 N ATOM 1522 CA VAL A 93 4.781 -3.024 6.412 1.00 0.00 C ATOM 1523 C VAL A 93 5.941 -2.666 5.471 1.00 0.00 C ATOM 1524 O VAL A 93 6.490 -3.547 4.820 1.00 0.00 O ATOM 1525 CB VAL A 93 3.446 -3.157 5.667 1.00 0.00 C ATOM 1526 CG1 VAL A 93 3.197 -2.172 4.513 1.00 0.00 C ATOM 1527 CG2 VAL A 93 3.241 -4.615 5.263 1.00 0.00 C ATOM 0 H VAL A 93 4.025 -1.314 7.363 1.00 0.00 H new ATOM 0 HA VAL A 93 5.029 -4.002 6.824 1.00 0.00 H new ATOM 0 HB VAL A 93 2.677 -2.852 6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.221 -2.370 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.222 -1.151 4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.971 -2.296 3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.294 -4.716 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.056 -4.930 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.226 -5.241 6.155 1.00 0.00 H new ATOM 1537 N PHE A 94 6.299 -1.388 5.447 1.00 0.00 N ATOM 1538 CA PHE A 94 7.406 -0.839 4.643 1.00 0.00 C ATOM 1539 C PHE A 94 8.709 -1.620 4.858 1.00 0.00 C ATOM 1540 O PHE A 94 9.518 -1.691 3.943 1.00 0.00 O ATOM 1541 CB PHE A 94 7.579 0.634 5.019 1.00 0.00 C ATOM 1542 CG PHE A 94 8.680 1.330 4.241 1.00 0.00 C ATOM 1543 CD1 PHE A 94 8.435 1.756 2.942 1.00 0.00 C ATOM 1544 CD2 PHE A 94 9.929 1.511 4.826 1.00 0.00 C ATOM 1545 CE1 PHE A 94 9.446 2.363 2.220 1.00 0.00 C ATOM 1546 CE2 PHE A 94 10.937 2.121 4.105 1.00 0.00 C ATOM 1547 CZ PHE A 94 10.698 2.549 2.798 1.00 0.00 C ATOM 0 H PHE A 94 5.819 -0.677 5.999 1.00 0.00 H new ATOM 0 HA PHE A 94 7.166 -0.931 3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 94 6.638 1.157 4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.796 0.706 6.085 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.461 1.614 2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 94 10.109 1.177 5.837 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.264 2.693 1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 94 11.909 2.267 4.552 1.00 0.00 H new ATOM 0 HZ PHE A 94 11.486 3.025 2.234 1.00 0.00 H new ATOM 1557 N ARG A 95 8.836 -2.213 6.045 1.00 0.00 N ATOM 1558 CA ARG A 95 9.901 -3.175 6.387 1.00 0.00 C ATOM 1559 C ARG A 95 9.526 -4.666 6.288 1.00 0.00 C ATOM 1560 O ARG A 95 10.354 -5.481 5.885 1.00 0.00 O ATOM 1561 CB ARG A 95 10.459 -2.874 7.775 1.00 0.00 C ATOM 1562 CG ARG A 95 11.721 -2.023 7.635 1.00 0.00 C ATOM 1563 CD ARG A 95 12.526 -2.008 8.936 1.00 0.00 C ATOM 1564 NE ARG A 95 11.870 -1.174 9.955 1.00 0.00 N ATOM 1565 CZ ARG A 95 12.016 -1.286 11.279 1.00 0.00 C ATOM 1566 NH1 ARG A 95 12.714 -2.276 11.823 1.00 0.00 N ATOM 1567 NH2 ARG A 95 11.419 -0.425 12.084 1.00 0.00 N ATOM 0 H ARG A 95 8.192 -2.039 6.816 1.00 0.00 H new ATOM 0 HA ARG A 95 10.656 -3.026 5.615 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.715 -2.347 8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.688 -3.803 8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 95 12.339 -2.414 6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.447 -1.004 7.362 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.637 -3.026 9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 95 13.529 -1.629 8.742 1.00 0.00 H new ATOM 0 HE ARG A 95 11.245 -0.441 9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.156 -2.976 11.227 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.809 -2.336 12.837 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.847 0.325 11.695 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.530 -0.510 13.094 1.00 0.00 H new ATOM 1581 N ARG A 96 8.239 -4.961 6.469 1.00 0.00 N ATOM 1582 CA ARG A 96 7.659 -6.324 6.423 1.00 0.00 C ATOM 1583 C ARG A 96 7.646 -6.859 4.981 1.00 0.00 C ATOM 1584 O ARG A 96 8.471 -7.689 4.610 1.00 0.00 O ATOM 1585 CB ARG A 96 6.220 -6.313 6.960 1.00 0.00 C ATOM 1586 CG ARG A 96 6.094 -5.885 8.420 1.00 0.00 C ATOM 1587 CD ARG A 96 6.498 -6.995 9.375 1.00 0.00 C ATOM 1588 NE ARG A 96 7.342 -6.469 10.458 1.00 0.00 N ATOM 1589 CZ ARG A 96 7.819 -7.213 11.460 1.00 0.00 C ATOM 1590 NH1 ARG A 96 7.460 -8.483 11.588 1.00 0.00 N ATOM 1591 NH2 ARG A 96 8.637 -6.696 12.362 1.00 0.00 N ATOM 0 H ARG A 96 7.540 -4.243 6.658 1.00 0.00 H new ATOM 0 HA ARG A 96 8.278 -6.971 7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.621 -5.642 6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.796 -7.311 6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.719 -5.010 8.596 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.065 -5.588 8.623 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.607 -7.461 9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 96 7.037 -7.771 8.831 1.00 0.00 H new ATOM 0 HE ARG A 96 7.577 -5.477 10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.814 -8.900 10.918 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.830 -9.043 12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.912 -5.716 12.299 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.992 -7.277 13.121 1.00 0.00 H new ATOM 1605 N ILE A 97 6.829 -6.214 4.150 1.00 0.00 N ATOM 1606 CA ILE A 97 6.731 -6.509 2.704 1.00 0.00 C ATOM 1607 C ILE A 97 7.992 -6.089 1.944 1.00 0.00 C ATOM 1608 O ILE A 97 8.170 -6.411 0.778 1.00 0.00 O ATOM 1609 CB ILE A 97 5.459 -5.935 2.060 1.00 0.00 C ATOM 1610 CG1 ILE A 97 5.295 -4.412 2.179 1.00 0.00 C ATOM 1611 CG2 ILE A 97 4.265 -6.699 2.631 1.00 0.00 C ATOM 1612 CD1 ILE A 97 5.617 -3.664 0.884 1.00 0.00 C ATOM 0 H ILE A 97 6.208 -5.465 4.454 1.00 0.00 H new ATOM 0 HA ILE A 97 6.651 -7.593 2.624 1.00 0.00 H new ATOM 0 HB ILE A 97 5.534 -6.081 0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.271 -4.186 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.945 -4.045 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.344 -6.315 2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.364 -7.759 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.234 -6.570 3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.481 -2.594 1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.650 -3.861 0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.950 -4.004 0.092 1.00 0.00 H new ATOM 1624 N SER A 98 8.836 -5.303 2.605 1.00 0.00 N ATOM 1625 CA SER A 98 10.165 -4.989 2.068 1.00 0.00 C ATOM 1626 C SER A 98 11.014 -6.250 1.883 1.00 0.00 C ATOM 1627 O SER A 98 11.702 -6.377 0.878 1.00 0.00 O ATOM 1628 CB SER A 98 10.954 -4.043 2.960 1.00 0.00 C ATOM 1629 OG SER A 98 11.479 -3.043 2.093 1.00 0.00 O ATOM 0 H SER A 98 8.630 -4.873 3.507 1.00 0.00 H new ATOM 0 HA SER A 98 9.972 -4.510 1.108 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.315 -3.602 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.754 -4.571 3.479 1.00 0.00 H new ATOM 0 HG SER A 98 11.646 -3.431 1.209 1.00 0.00 H new ATOM 1635 N LYS A 99 11.010 -7.146 2.869 1.00 0.00 N ATOM 1636 CA LYS A 99 11.844 -8.368 2.810 1.00 0.00 C ATOM 1637 C LYS A 99 13.340 -8.039 2.663 1.00 0.00 C ATOM 1638 O LYS A 99 14.075 -8.655 1.891 1.00 0.00 O ATOM 1639 CB LYS A 99 11.396 -9.312 1.683 1.00 0.00 C ATOM 1640 CG LYS A 99 10.188 -10.147 2.081 1.00 0.00 C ATOM 1641 CD LYS A 99 10.288 -11.489 1.364 1.00 0.00 C ATOM 1642 CE LYS A 99 9.301 -12.481 1.973 1.00 0.00 C ATOM 1643 NZ LYS A 99 9.400 -13.776 1.291 1.00 0.00 N ATOM 0 H LYS A 99 10.447 -7.060 3.715 1.00 0.00 H new ATOM 0 HA LYS A 99 11.702 -8.880 3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.155 -8.727 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.220 -9.973 1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.164 -10.292 3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.265 -9.636 1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.078 -11.360 0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 99 11.303 -11.878 1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.507 -12.605 3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.286 -12.094 1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.724 -14.444 1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.181 -13.654 0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.365 -14.150 1.394 1.00 0.00 H new ATOM 1657 N GLN A 100 13.765 -6.998 3.385 1.00 0.00 N ATOM 1658 CA GLN A 100 15.178 -6.567 3.446 1.00 0.00 C ATOM 1659 C GLN A 100 16.182 -7.745 3.450 1.00 0.00 C ATOM 1660 O GLN A 100 16.220 -8.467 4.472 1.00 0.00 O ATOM 1661 CB GLN A 100 15.368 -5.636 4.656 1.00 0.00 C ATOM 1662 CG GLN A 100 16.835 -5.219 4.831 1.00 0.00 C ATOM 1663 CD GLN A 100 16.998 -3.736 5.147 1.00 0.00 C ATOM 1664 OE1 GLN A 100 17.371 -3.324 6.238 1.00 0.00 O ATOM 1665 NE2 GLN A 100 16.819 -2.914 4.140 1.00 0.00 N ATOM 1666 OXT GLN A 100 16.849 -7.908 2.407 1.00 99.99 O ATOM 0 H GLN A 100 13.140 -6.423 3.949 1.00 0.00 H new ATOM 0 HA GLN A 100 15.403 -6.019 2.531 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.750 -4.747 4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.023 -6.139 5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 100 17.281 -5.807 5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 100 17.385 -5.454 3.920 1.00 0.00 H new ATOM 0 HE21 GLN A 100 16.508 -3.273 3.237 1.00 0.00 H new ATOM 0 HE22 GLN A 100 16.991 -1.916 4.260 1.00 0.00 H new TER 1675 GLN A 100