USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 847 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 Single : A 1 MET CE :methyl 161:sc= 0 (180deg=-0.796) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.61) USER MOD Single : A 7 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.066) USER MOD Single : A 13 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-2.1!) USER MOD Single : A 14 GLN : amide:sc= 0.404 K(o=0.4,f=-0.42) USER MOD Single : A 17 LYS NZ :NH3+ -116:sc= 1.05 (180deg=-0.306) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0.129 (180deg=0.119) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0969 USER MOD Single : A 22 THR OG1 : rot -93:sc= 0.465 USER MOD Single : A 23 TYR OH : rot 165:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -134:sc= -2.16! (180deg=-4.9!) USER MOD Single : A 29 MET CE :methyl -134:sc= -2.45! (180deg=-3.41) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-0.53) USER MOD Single : A 41 LYS NZ :NH3+ -168:sc=-0.00697 (180deg=-0.179) USER MOD Single : A 45 ASN : amide:sc= -0.913 K(o=-0.91,f=-0.042) USER MOD Single : A 50 SER OG : rot 180:sc= 0.221 USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0183 (180deg=-0.238) USER MOD Single : A 59 ASN : amide:sc= -0.732 K(o=-0.73,f=-8.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.046 X(o=-0.046,f=-0.53) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -108:sc= -0.697 (180deg=-2.49!) USER MOD Single : A 74 GLN : amide:sc= -1.03! C(o=-1!,f=-4.9!) USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0551) USER MOD Single : A 76 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.042) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -157:sc= -0.173 (180deg=-0.734) USER MOD Single : A 95 LYS NZ :NH3+ -151:sc= 1.29 (180deg=1.06) USER MOD Single : A 96 TYR OH : rot 90:sc= -1.51! USER MOD Single : A 97 LYS NZ :NH3+ 137:sc= 0.435 (180deg=-0.327) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.364 -3.725 13.693 1.00 54.22 N ATOM 2 CA MET A 1 -15.364 -3.579 12.602 1.00 74.52 C ATOM 3 C MET A 1 -15.744 -4.443 11.388 1.00 11.54 C ATOM 4 O MET A 1 -15.854 -5.665 11.497 1.00 12.10 O ATOM 5 CB MET A 1 -13.974 -3.973 13.123 1.00 13.52 C ATOM 6 CG MET A 1 -12.835 -3.639 12.171 1.00 54.42 C ATOM 7 SD MET A 1 -12.767 -1.884 11.767 1.00 51.34 S ATOM 8 CE MET A 1 -11.209 -1.795 10.885 1.00 74.43 C ATOM 0 H1 MET A 1 -16.085 -3.132 14.501 1.00 54.22 H new ATOM 0 H2 MET A 1 -17.299 -3.425 13.350 1.00 54.22 H new ATOM 0 H3 MET A 1 -16.408 -4.720 13.993 1.00 54.22 H new ATOM 0 HA MET A 1 -15.348 -2.538 12.280 1.00 74.52 H new ATOM 0 HB2 MET A 1 -13.798 -3.469 14.073 1.00 13.52 H new ATOM 0 HB3 MET A 1 -13.963 -5.044 13.323 1.00 13.52 H new ATOM 0 HG2 MET A 1 -11.889 -3.942 12.620 1.00 54.42 H new ATOM 0 HG3 MET A 1 -12.951 -4.216 11.253 1.00 54.42 H new ATOM 0 HE1 MET A 1 -11.180 -0.883 10.289 1.00 74.43 H new ATOM 0 HE2 MET A 1 -10.386 -1.788 11.600 1.00 74.43 H new ATOM 0 HE3 MET A 1 -11.113 -2.660 10.229 1.00 74.43 H new ATOM 20 N ASP A 2 -15.949 -3.804 10.233 1.00 1.43 N ATOM 21 CA ASP A 2 -16.330 -4.518 9.004 1.00 54.33 C ATOM 22 C ASP A 2 -15.306 -5.604 8.624 1.00 12.10 C ATOM 23 O ASP A 2 -14.104 -5.340 8.555 1.00 0.25 O ATOM 24 CB ASP A 2 -16.481 -3.529 7.846 1.00 74.14 C ATOM 25 CG ASP A 2 -17.533 -2.473 8.129 1.00 13.31 C ATOM 26 OD1 ASP A 2 -17.216 -1.483 8.820 1.00 52.12 O ATOM 27 OD2 ASP A 2 -18.682 -2.635 7.670 1.00 71.21 O ATOM 0 H ASP A 2 -15.858 -2.794 10.120 1.00 1.43 H new ATOM 0 HA ASP A 2 -17.283 -5.010 9.198 1.00 54.33 H new ATOM 0 HB2 ASP A 2 -15.523 -3.044 7.657 1.00 74.14 H new ATOM 0 HB3 ASP A 2 -16.748 -4.072 6.939 1.00 74.14 H new ATOM 32 N GLN A 3 -15.798 -6.816 8.356 1.00 10.51 N ATOM 33 CA GLN A 3 -14.940 -7.949 7.976 1.00 61.51 C ATOM 34 C GLN A 3 -14.108 -7.638 6.727 1.00 60.53 C ATOM 35 O GLN A 3 -12.984 -8.118 6.587 1.00 10.32 O ATOM 36 CB GLN A 3 -15.789 -9.217 7.765 1.00 13.32 C ATOM 37 CG GLN A 3 -16.161 -9.942 9.061 1.00 12.05 C ATOM 38 CD GLN A 3 -16.692 -9.013 10.141 1.00 41.33 C ATOM 39 OE1 GLN A 3 -17.888 -8.752 10.225 1.00 63.30 O ATOM 40 NE2 GLN A 3 -15.806 -8.508 10.975 1.00 2.22 N ATOM 0 H GLN A 3 -16.792 -7.042 8.395 1.00 10.51 H new ATOM 0 HA GLN A 3 -14.242 -8.126 8.794 1.00 61.51 H new ATOM 0 HB2 GLN A 3 -16.703 -8.946 7.238 1.00 13.32 H new ATOM 0 HB3 GLN A 3 -15.242 -9.905 7.121 1.00 13.32 H new ATOM 0 HG2 GLN A 3 -16.913 -10.700 8.842 1.00 12.05 H new ATOM 0 HG3 GLN A 3 -15.283 -10.465 9.441 1.00 12.05 H new ATOM 0 HE21 GLN A 3 -14.819 -8.746 10.876 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -16.107 -7.879 11.719 1.00 2.22 H new ATOM 49 N PHE A 4 -14.659 -6.821 5.831 1.00 45.14 N ATOM 50 CA PHE A 4 -13.902 -6.331 4.677 1.00 11.43 C ATOM 51 C PHE A 4 -12.603 -5.648 5.136 1.00 24.34 C ATOM 52 O PHE A 4 -11.509 -5.985 4.684 1.00 72.14 O ATOM 53 CB PHE A 4 -14.754 -5.351 3.851 1.00 15.32 C ATOM 54 CG PHE A 4 -13.976 -4.626 2.777 1.00 44.12 C ATOM 55 CD1 PHE A 4 -13.473 -5.312 1.679 1.00 45.32 C ATOM 56 CD2 PHE A 4 -13.741 -3.259 2.870 1.00 20.20 C ATOM 57 CE1 PHE A 4 -12.755 -4.651 0.701 1.00 54.40 C ATOM 58 CE2 PHE A 4 -13.025 -2.595 1.892 1.00 40.40 C ATOM 59 CZ PHE A 4 -12.531 -3.292 0.806 1.00 54.30 C ATOM 0 H PHE A 4 -15.621 -6.485 5.880 1.00 45.14 H new ATOM 0 HA PHE A 4 -13.644 -7.184 4.049 1.00 11.43 H new ATOM 0 HB2 PHE A 4 -15.574 -5.899 3.386 1.00 15.32 H new ATOM 0 HB3 PHE A 4 -15.201 -4.617 4.522 1.00 15.32 H new ATOM 0 HD1 PHE A 4 -13.645 -6.374 1.589 1.00 45.32 H new ATOM 0 HD2 PHE A 4 -14.123 -2.709 3.717 1.00 20.20 H new ATOM 0 HE1 PHE A 4 -12.368 -5.197 -0.147 1.00 54.40 H new ATOM 0 HE2 PHE A 4 -12.852 -1.532 1.976 1.00 40.40 H new ATOM 0 HZ PHE A 4 -11.971 -2.775 0.041 1.00 54.30 H new ATOM 69 N LEU A 5 -12.746 -4.701 6.058 1.00 55.55 N ATOM 70 CA LEU A 5 -11.608 -3.970 6.618 1.00 70.12 C ATOM 71 C LEU A 5 -10.679 -4.908 7.406 1.00 33.22 C ATOM 72 O LEU A 5 -9.459 -4.861 7.253 1.00 14.11 O ATOM 73 CB LEU A 5 -12.117 -2.843 7.528 1.00 33.15 C ATOM 74 CG LEU A 5 -13.065 -1.834 6.859 1.00 21.24 C ATOM 75 CD1 LEU A 5 -13.623 -0.853 7.887 1.00 15.21 C ATOM 76 CD2 LEU A 5 -12.346 -1.091 5.733 1.00 0.02 C ATOM 0 H LEU A 5 -13.649 -4.418 6.439 1.00 55.55 H new ATOM 0 HA LEU A 5 -11.034 -3.543 5.796 1.00 70.12 H new ATOM 0 HB2 LEU A 5 -12.631 -3.290 8.379 1.00 33.15 H new ATOM 0 HB3 LEU A 5 -11.257 -2.302 7.923 1.00 33.15 H new ATOM 0 HG LEU A 5 -13.902 -2.382 6.427 1.00 21.24 H new ATOM 0 HD11 LEU A 5 -14.291 -0.148 7.392 1.00 15.21 H new ATOM 0 HD12 LEU A 5 -14.175 -1.401 8.651 1.00 15.21 H new ATOM 0 HD13 LEU A 5 -12.802 -0.308 8.353 1.00 15.21 H new ATOM 0 HD21 LEU A 5 -13.031 -0.381 5.270 1.00 0.02 H new ATOM 0 HD22 LEU A 5 -11.488 -0.555 6.140 1.00 0.02 H new ATOM 0 HD23 LEU A 5 -12.005 -1.806 4.985 1.00 0.02 H new ATOM 88 N VAL A 6 -11.268 -5.766 8.239 1.00 35.31 N ATOM 89 CA VAL A 6 -10.500 -6.720 9.052 1.00 61.23 C ATOM 90 C VAL A 6 -9.581 -7.596 8.184 1.00 41.00 C ATOM 91 O VAL A 6 -8.384 -7.704 8.441 1.00 2.11 O ATOM 92 CB VAL A 6 -11.432 -7.644 9.878 1.00 63.43 C ATOM 93 CG1 VAL A 6 -10.621 -8.618 10.733 1.00 14.44 C ATOM 94 CG2 VAL A 6 -12.377 -6.821 10.750 1.00 33.11 C ATOM 0 H VAL A 6 -12.278 -5.823 8.371 1.00 35.31 H new ATOM 0 HA VAL A 6 -9.891 -6.122 9.729 1.00 61.23 H new ATOM 0 HB VAL A 6 -12.032 -8.227 9.179 1.00 63.43 H new ATOM 0 HG11 VAL A 6 -11.299 -9.254 11.302 1.00 14.44 H new ATOM 0 HG12 VAL A 6 -9.998 -9.237 10.087 1.00 14.44 H new ATOM 0 HG13 VAL A 6 -9.987 -8.058 11.420 1.00 14.44 H new ATOM 0 HG21 VAL A 6 -13.021 -7.490 11.320 1.00 33.11 H new ATOM 0 HG22 VAL A 6 -11.795 -6.205 11.436 1.00 33.11 H new ATOM 0 HG23 VAL A 6 -12.990 -6.179 10.117 1.00 33.11 H new ATOM 104 N GLN A 7 -10.151 -8.211 7.151 1.00 40.45 N ATOM 105 CA GLN A 7 -9.404 -9.127 6.284 1.00 24.24 C ATOM 106 C GLN A 7 -8.292 -8.416 5.494 1.00 43.34 C ATOM 107 O GLN A 7 -7.141 -8.858 5.506 1.00 12.33 O ATOM 108 CB GLN A 7 -10.368 -9.840 5.325 1.00 65.11 C ATOM 109 CG GLN A 7 -11.322 -10.812 6.017 1.00 20.21 C ATOM 110 CD GLN A 7 -10.602 -12.013 6.620 1.00 42.31 C ATOM 111 OE1 GLN A 7 -10.430 -13.042 5.969 1.00 64.21 O ATOM 112 NE2 GLN A 7 -10.176 -11.899 7.864 1.00 13.33 N ATOM 0 H GLN A 7 -11.130 -8.093 6.891 1.00 40.45 H new ATOM 0 HA GLN A 7 -8.916 -9.860 6.927 1.00 24.24 H new ATOM 0 HB2 GLN A 7 -10.952 -9.092 4.790 1.00 65.11 H new ATOM 0 HB3 GLN A 7 -9.788 -10.384 4.580 1.00 65.11 H new ATOM 0 HG2 GLN A 7 -11.863 -10.286 6.803 1.00 20.21 H new ATOM 0 HG3 GLN A 7 -12.063 -11.161 5.298 1.00 20.21 H new ATOM 0 HE21 GLN A 7 -10.333 -11.033 8.380 1.00 13.33 H new ATOM 0 HE22 GLN A 7 -9.690 -12.677 8.310 1.00 13.33 H new ATOM 121 N ILE A 8 -8.625 -7.315 4.813 1.00 25.45 N ATOM 122 CA ILE A 8 -7.631 -6.591 4.009 1.00 62.33 C ATOM 123 C ILE A 8 -6.485 -6.045 4.882 1.00 50.13 C ATOM 124 O ILE A 8 -5.312 -6.205 4.545 1.00 14.32 O ATOM 125 CB ILE A 8 -8.266 -5.439 3.177 1.00 44.52 C ATOM 126 CG1 ILE A 8 -8.899 -4.378 4.093 1.00 43.44 C ATOM 127 CG2 ILE A 8 -9.303 -5.998 2.199 1.00 51.20 C ATOM 128 CD1 ILE A 8 -9.519 -3.212 3.352 1.00 20.42 C ATOM 0 H ILE A 8 -9.561 -6.909 4.800 1.00 25.45 H new ATOM 0 HA ILE A 8 -7.219 -7.318 3.309 1.00 62.33 H new ATOM 0 HB ILE A 8 -7.474 -4.956 2.605 1.00 44.52 H new ATOM 0 HG12 ILE A 8 -9.665 -4.853 4.706 1.00 43.44 H new ATOM 0 HG13 ILE A 8 -8.136 -3.998 4.773 1.00 43.44 H new ATOM 0 HG21 ILE A 8 -9.739 -5.181 1.624 1.00 51.20 H new ATOM 0 HG22 ILE A 8 -8.821 -6.702 1.521 1.00 51.20 H new ATOM 0 HG23 ILE A 8 -10.089 -6.510 2.755 1.00 51.20 H new ATOM 0 HD11 ILE A 8 -9.943 -2.509 4.069 1.00 20.42 H new ATOM 0 HD12 ILE A 8 -8.754 -2.709 2.760 1.00 20.42 H new ATOM 0 HD13 ILE A 8 -10.307 -3.577 2.693 1.00 20.42 H new ATOM 140 N PHE A 9 -6.826 -5.433 6.018 1.00 2.33 N ATOM 141 CA PHE A 9 -5.815 -4.930 6.957 1.00 35.41 C ATOM 142 C PHE A 9 -4.956 -6.080 7.506 1.00 41.21 C ATOM 143 O PHE A 9 -3.727 -5.972 7.597 1.00 71.23 O ATOM 144 CB PHE A 9 -6.484 -4.178 8.119 1.00 41.21 C ATOM 145 CG PHE A 9 -7.208 -2.908 7.719 1.00 34.20 C ATOM 146 CD1 PHE A 9 -7.034 -2.338 6.462 1.00 72.43 C ATOM 147 CD2 PHE A 9 -8.065 -2.277 8.615 1.00 51.52 C ATOM 148 CE1 PHE A 9 -7.696 -1.177 6.109 1.00 70.25 C ATOM 149 CE2 PHE A 9 -8.727 -1.114 8.264 1.00 42.32 C ATOM 150 CZ PHE A 9 -8.543 -0.563 7.012 1.00 30.15 C ATOM 0 H PHE A 9 -7.790 -5.273 6.311 1.00 2.33 H new ATOM 0 HA PHE A 9 -5.168 -4.241 6.414 1.00 35.41 H new ATOM 0 HB2 PHE A 9 -7.194 -4.847 8.606 1.00 41.21 H new ATOM 0 HB3 PHE A 9 -5.723 -3.929 8.858 1.00 41.21 H new ATOM 0 HD1 PHE A 9 -6.372 -2.810 5.751 1.00 72.43 H new ATOM 0 HD2 PHE A 9 -8.215 -2.700 9.597 1.00 51.52 H new ATOM 0 HE1 PHE A 9 -7.551 -0.750 5.128 1.00 70.25 H new ATOM 0 HE2 PHE A 9 -9.389 -0.636 8.971 1.00 42.32 H new ATOM 0 HZ PHE A 9 -9.059 0.345 6.739 1.00 30.15 H new ATOM 160 N ALA A 10 -5.617 -7.185 7.860 1.00 42.43 N ATOM 161 CA ALA A 10 -4.935 -8.378 8.370 1.00 61.32 C ATOM 162 C ALA A 10 -3.820 -8.835 7.420 1.00 52.21 C ATOM 163 O ALA A 10 -2.693 -9.075 7.849 1.00 22.34 O ATOM 164 CB ALA A 10 -5.938 -9.510 8.592 1.00 14.30 C ATOM 0 H ALA A 10 -6.631 -7.278 7.802 1.00 42.43 H new ATOM 0 HA ALA A 10 -4.477 -8.117 9.324 1.00 61.32 H new ATOM 0 HB1 ALA A 10 -5.417 -10.389 8.971 1.00 14.30 H new ATOM 0 HB2 ALA A 10 -6.689 -9.194 9.316 1.00 14.30 H new ATOM 0 HB3 ALA A 10 -6.424 -9.755 7.648 1.00 14.30 H new ATOM 170 N VAL A 11 -4.134 -8.927 6.128 1.00 75.12 N ATOM 171 CA VAL A 11 -3.159 -9.369 5.122 1.00 74.32 C ATOM 172 C VAL A 11 -1.968 -8.401 5.028 1.00 72.44 C ATOM 173 O VAL A 11 -0.812 -8.827 4.949 1.00 52.21 O ATOM 174 CB VAL A 11 -3.815 -9.519 3.723 1.00 45.42 C ATOM 175 CG1 VAL A 11 -2.791 -9.960 2.676 1.00 4.55 C ATOM 176 CG2 VAL A 11 -4.983 -10.503 3.782 1.00 41.03 C ATOM 0 H VAL A 11 -5.054 -8.702 5.750 1.00 75.12 H new ATOM 0 HA VAL A 11 -2.795 -10.344 5.446 1.00 74.32 H new ATOM 0 HB VAL A 11 -4.198 -8.543 3.425 1.00 45.42 H new ATOM 0 HG11 VAL A 11 -3.280 -10.056 1.707 1.00 4.55 H new ATOM 0 HG12 VAL A 11 -1.996 -9.217 2.609 1.00 4.55 H new ATOM 0 HG13 VAL A 11 -2.366 -10.921 2.965 1.00 4.55 H new ATOM 0 HG21 VAL A 11 -5.431 -10.596 2.793 1.00 41.03 H new ATOM 0 HG22 VAL A 11 -4.621 -11.478 4.109 1.00 41.03 H new ATOM 0 HG23 VAL A 11 -5.731 -10.138 4.486 1.00 41.03 H new ATOM 186 N ILE A 12 -2.257 -7.100 5.068 1.00 63.24 N ATOM 187 CA ILE A 12 -1.220 -6.063 4.979 1.00 53.13 C ATOM 188 C ILE A 12 -0.157 -6.211 6.085 1.00 71.34 C ATOM 189 O ILE A 12 1.028 -5.965 5.854 1.00 33.03 O ATOM 190 CB ILE A 12 -1.850 -4.651 5.056 1.00 41.11 C ATOM 191 CG1 ILE A 12 -2.859 -4.458 3.913 1.00 3.54 C ATOM 192 CG2 ILE A 12 -0.770 -3.567 5.016 1.00 11.45 C ATOM 193 CD1 ILE A 12 -3.695 -3.203 4.037 1.00 42.45 C ATOM 0 H ILE A 12 -3.205 -6.735 5.162 1.00 63.24 H new ATOM 0 HA ILE A 12 -0.728 -6.191 4.015 1.00 53.13 H new ATOM 0 HB ILE A 12 -2.378 -4.560 6.005 1.00 41.11 H new ATOM 0 HG12 ILE A 12 -2.320 -4.431 2.966 1.00 3.54 H new ATOM 0 HG13 ILE A 12 -3.522 -5.322 3.877 1.00 3.54 H new ATOM 0 HG21 ILE A 12 -1.239 -2.584 5.071 1.00 11.45 H new ATOM 0 HG22 ILE A 12 -0.094 -3.695 5.862 1.00 11.45 H new ATOM 0 HG23 ILE A 12 -0.207 -3.648 4.086 1.00 11.45 H new ATOM 0 HD11 ILE A 12 -4.382 -3.139 3.193 1.00 42.45 H new ATOM 0 HD12 ILE A 12 -4.264 -3.235 4.966 1.00 42.45 H new ATOM 0 HD13 ILE A 12 -3.042 -2.330 4.041 1.00 42.45 H new ATOM 205 N HIS A 13 -0.581 -6.629 7.281 1.00 41.25 N ATOM 206 CA HIS A 13 0.349 -6.832 8.410 1.00 71.50 C ATOM 207 C HIS A 13 1.492 -7.824 8.086 1.00 15.43 C ATOM 208 O HIS A 13 2.493 -7.876 8.803 1.00 15.45 O ATOM 209 CB HIS A 13 -0.413 -7.294 9.667 1.00 44.20 C ATOM 210 CG HIS A 13 -1.102 -6.179 10.399 1.00 24.35 C ATOM 211 ND1 HIS A 13 -0.385 -5.253 11.118 1.00 70.10 N ATOM 212 CD2 HIS A 13 -2.421 -5.887 10.498 1.00 61.23 C ATOM 213 CE1 HIS A 13 -1.271 -4.426 11.637 1.00 65.13 C ATOM 214 NE2 HIS A 13 -2.520 -4.769 11.290 1.00 22.05 N ATOM 0 H HIS A 13 -1.556 -6.834 7.498 1.00 41.25 H new ATOM 0 HA HIS A 13 0.814 -5.865 8.600 1.00 71.50 H new ATOM 0 HB2 HIS A 13 -1.154 -8.040 9.378 1.00 44.20 H new ATOM 0 HB3 HIS A 13 0.286 -7.785 10.345 1.00 44.20 H new ATOM 0 HD2 HIS A 13 -3.237 -6.428 10.042 1.00 61.23 H new ATOM 0 HE1 HIS A 13 -1.023 -3.581 12.262 1.00 65.13 H new ATOM 0 HE2 HIS A 13 -3.379 -4.291 11.562 1.00 22.05 H new ATOM 222 N GLN A 14 1.357 -8.599 7.008 1.00 62.14 N ATOM 223 CA GLN A 14 2.405 -9.556 6.609 1.00 14.44 C ATOM 224 C GLN A 14 3.484 -8.917 5.713 1.00 72.11 C ATOM 225 O GLN A 14 4.523 -9.530 5.466 1.00 34.21 O ATOM 226 CB GLN A 14 1.798 -10.780 5.898 1.00 23.34 C ATOM 227 CG GLN A 14 1.328 -11.886 6.843 1.00 65.23 C ATOM 228 CD GLN A 14 0.170 -11.471 7.732 1.00 11.10 C ATOM 229 OE1 GLN A 14 0.055 -11.910 8.872 1.00 53.00 O ATOM 230 NE2 GLN A 14 -0.720 -10.661 7.213 1.00 15.41 N ATOM 0 H GLN A 14 0.541 -8.588 6.396 1.00 62.14 H new ATOM 0 HA GLN A 14 2.889 -9.877 7.531 1.00 14.44 H new ATOM 0 HB2 GLN A 14 0.953 -10.452 5.292 1.00 23.34 H new ATOM 0 HB3 GLN A 14 2.539 -11.193 5.214 1.00 23.34 H new ATOM 0 HG2 GLN A 14 1.031 -12.754 6.254 1.00 65.23 H new ATOM 0 HG3 GLN A 14 2.164 -12.197 7.470 1.00 65.23 H new ATOM 0 HE21 GLN A 14 -0.599 -10.311 6.262 1.00 15.41 H new ATOM 0 HE22 GLN A 14 -1.534 -10.380 7.760 1.00 15.41 H new ATOM 239 N ILE A 15 3.243 -7.700 5.225 1.00 53.50 N ATOM 240 CA ILE A 15 4.229 -6.994 4.398 1.00 61.01 C ATOM 241 C ILE A 15 5.403 -6.489 5.262 1.00 61.51 C ATOM 242 O ILE A 15 5.229 -5.591 6.090 1.00 15.10 O ATOM 243 CB ILE A 15 3.592 -5.790 3.653 1.00 24.03 C ATOM 244 CG1 ILE A 15 2.370 -6.244 2.835 1.00 41.13 C ATOM 245 CG2 ILE A 15 4.623 -5.108 2.753 1.00 14.53 C ATOM 246 CD1 ILE A 15 1.675 -5.117 2.095 1.00 71.13 C ATOM 0 H ILE A 15 2.379 -7.182 5.385 1.00 53.50 H new ATOM 0 HA ILE A 15 4.597 -7.707 3.660 1.00 61.01 H new ATOM 0 HB ILE A 15 3.255 -5.066 4.395 1.00 24.03 H new ATOM 0 HG12 ILE A 15 2.687 -6.998 2.115 1.00 41.13 H new ATOM 0 HG13 ILE A 15 1.654 -6.723 3.504 1.00 41.13 H new ATOM 0 HG21 ILE A 15 4.158 -4.267 2.239 1.00 14.53 H new ATOM 0 HG22 ILE A 15 5.454 -4.748 3.360 1.00 14.53 H new ATOM 0 HG23 ILE A 15 4.993 -5.822 2.018 1.00 14.53 H new ATOM 0 HD11 ILE A 15 0.824 -5.515 1.542 1.00 71.13 H new ATOM 0 HD12 ILE A 15 1.326 -4.373 2.811 1.00 71.13 H new ATOM 0 HD13 ILE A 15 2.374 -4.652 1.400 1.00 71.13 H new ATOM 258 N PRO A 16 6.611 -7.060 5.089 1.00 30.14 N ATOM 259 CA PRO A 16 7.776 -6.719 5.920 1.00 13.51 C ATOM 260 C PRO A 16 8.498 -5.435 5.477 1.00 32.42 C ATOM 261 O PRO A 16 8.137 -4.804 4.476 1.00 63.44 O ATOM 262 CB PRO A 16 8.680 -7.940 5.731 1.00 25.25 C ATOM 263 CG PRO A 16 8.399 -8.393 4.337 1.00 53.13 C ATOM 264 CD PRO A 16 6.942 -8.085 4.078 1.00 32.11 C ATOM 0 HA PRO A 16 7.493 -6.513 6.952 1.00 13.51 H new ATOM 0 HB2 PRO A 16 9.731 -7.681 5.861 1.00 25.25 H new ATOM 0 HB3 PRO A 16 8.452 -8.720 6.457 1.00 25.25 H new ATOM 0 HG2 PRO A 16 9.039 -7.875 3.623 1.00 53.13 H new ATOM 0 HG3 PRO A 16 8.597 -9.459 4.227 1.00 53.13 H new ATOM 0 HD2 PRO A 16 6.786 -7.713 3.066 1.00 32.11 H new ATOM 0 HD3 PRO A 16 6.320 -8.973 4.190 1.00 32.11 H new ATOM 272 N LYS A 17 9.538 -5.064 6.227 1.00 53.24 N ATOM 273 CA LYS A 17 10.308 -3.846 5.950 1.00 65.04 C ATOM 274 C LYS A 17 10.914 -3.871 4.531 1.00 24.11 C ATOM 275 O LYS A 17 11.373 -4.910 4.054 1.00 63.53 O ATOM 276 CB LYS A 17 11.431 -3.686 6.987 1.00 10.43 C ATOM 277 CG LYS A 17 12.064 -2.291 7.028 1.00 41.12 C ATOM 278 CD LYS A 17 11.465 -1.422 8.127 1.00 42.42 C ATOM 279 CE LYS A 17 12.198 -0.090 8.253 1.00 75.35 C ATOM 280 NZ LYS A 17 11.521 0.824 9.209 1.00 54.41 N ATOM 0 H LYS A 17 9.869 -5.592 7.035 1.00 53.24 H new ATOM 0 HA LYS A 17 9.625 -2.999 6.014 1.00 65.04 H new ATOM 0 HB2 LYS A 17 11.033 -3.920 7.974 1.00 10.43 H new ATOM 0 HB3 LYS A 17 12.210 -4.419 6.776 1.00 10.43 H new ATOM 0 HG2 LYS A 17 13.138 -2.385 7.186 1.00 41.12 H new ATOM 0 HG3 LYS A 17 11.925 -1.802 6.064 1.00 41.12 H new ATOM 0 HD2 LYS A 17 10.412 -1.239 7.914 1.00 42.42 H new ATOM 0 HD3 LYS A 17 11.510 -1.954 9.077 1.00 42.42 H new ATOM 0 HE2 LYS A 17 13.221 -0.268 8.583 1.00 75.35 H new ATOM 0 HE3 LYS A 17 12.257 0.386 7.274 1.00 75.35 H new ATOM 0 HZ1 LYS A 17 11.179 1.665 8.702 1.00 54.41 H new ATOM 0 HZ2 LYS A 17 10.716 0.333 9.648 1.00 54.41 H new ATOM 0 HZ3 LYS A 17 12.194 1.115 9.947 1.00 54.41 H new ATOM 294 N GLY A 18 10.904 -2.719 3.869 1.00 32.43 N ATOM 295 CA GLY A 18 11.461 -2.601 2.522 1.00 52.25 C ATOM 296 C GLY A 18 10.509 -3.049 1.409 1.00 5.20 C ATOM 297 O GLY A 18 10.527 -2.493 0.311 1.00 13.31 O ATOM 0 H GLY A 18 10.517 -1.852 4.242 1.00 32.43 H new ATOM 0 HA2 GLY A 18 11.744 -1.563 2.347 1.00 52.25 H new ATOM 0 HA3 GLY A 18 12.374 -3.194 2.465 1.00 52.25 H new ATOM 301 N LYS A 19 9.665 -4.039 1.693 1.00 22.14 N ATOM 302 CA LYS A 19 8.775 -4.614 0.674 1.00 63.14 C ATOM 303 C LYS A 19 7.455 -3.837 0.520 1.00 73.04 C ATOM 304 O LYS A 19 7.029 -3.113 1.419 1.00 72.54 O ATOM 305 CB LYS A 19 8.473 -6.081 1.005 1.00 21.13 C ATOM 306 CG LYS A 19 9.689 -7.001 0.922 1.00 53.24 C ATOM 307 CD LYS A 19 10.332 -6.974 -0.466 1.00 30.01 C ATOM 308 CE LYS A 19 11.311 -8.126 -0.665 1.00 60.45 C ATOM 309 NZ LYS A 19 11.764 -8.242 -2.079 1.00 62.01 N ATOM 0 H LYS A 19 9.575 -4.462 2.617 1.00 22.14 H new ATOM 0 HA LYS A 19 9.303 -4.543 -0.277 1.00 63.14 H new ATOM 0 HB2 LYS A 19 8.056 -6.137 2.011 1.00 21.13 H new ATOM 0 HB3 LYS A 19 7.707 -6.446 0.321 1.00 21.13 H new ATOM 0 HG2 LYS A 19 10.424 -6.699 1.668 1.00 53.24 H new ATOM 0 HG3 LYS A 19 9.390 -8.021 1.164 1.00 53.24 H new ATOM 0 HD2 LYS A 19 9.553 -7.024 -1.227 1.00 30.01 H new ATOM 0 HD3 LYS A 19 10.853 -6.027 -0.606 1.00 30.01 H new ATOM 0 HE2 LYS A 19 12.177 -7.980 -0.019 1.00 60.45 H new ATOM 0 HE3 LYS A 19 10.838 -9.059 -0.359 1.00 60.45 H new ATOM 0 HZ1 LYS A 19 12.346 -9.097 -2.188 1.00 62.01 H new ATOM 0 HZ2 LYS A 19 10.936 -8.305 -2.705 1.00 62.01 H new ATOM 0 HZ3 LYS A 19 12.327 -7.405 -2.333 1.00 62.01 H new ATOM 323 N VAL A 20 6.821 -4.002 -0.640 1.00 13.33 N ATOM 324 CA VAL A 20 5.525 -3.380 -0.944 1.00 2.24 C ATOM 325 C VAL A 20 4.617 -4.359 -1.711 1.00 31.14 C ATOM 326 O VAL A 20 5.072 -5.392 -2.209 1.00 41.43 O ATOM 327 CB VAL A 20 5.681 -2.080 -1.790 1.00 51.33 C ATOM 328 CG1 VAL A 20 6.527 -1.036 -1.058 1.00 11.04 C ATOM 329 CG2 VAL A 20 6.267 -2.389 -3.172 1.00 44.42 C ATOM 0 H VAL A 20 7.190 -4.572 -1.401 1.00 13.33 H new ATOM 0 HA VAL A 20 5.074 -3.121 0.014 1.00 2.24 H new ATOM 0 HB VAL A 20 4.686 -1.659 -1.932 1.00 51.33 H new ATOM 0 HG11 VAL A 20 6.616 -0.142 -1.675 1.00 11.04 H new ATOM 0 HG12 VAL A 20 6.049 -0.778 -0.113 1.00 11.04 H new ATOM 0 HG13 VAL A 20 7.519 -1.443 -0.864 1.00 11.04 H new ATOM 0 HG21 VAL A 20 6.365 -1.464 -3.741 1.00 44.42 H new ATOM 0 HG22 VAL A 20 7.248 -2.850 -3.056 1.00 44.42 H new ATOM 0 HG23 VAL A 20 5.605 -3.073 -3.703 1.00 44.42 H new ATOM 339 N SER A 21 3.335 -4.024 -1.809 1.00 54.22 N ATOM 340 CA SER A 21 2.371 -4.830 -2.571 1.00 54.31 C ATOM 341 C SER A 21 1.270 -3.933 -3.155 1.00 31.53 C ATOM 342 O SER A 21 1.295 -2.714 -2.977 1.00 43.13 O ATOM 343 CB SER A 21 1.751 -5.926 -1.690 1.00 72.43 C ATOM 344 OG SER A 21 0.888 -6.763 -2.445 1.00 33.35 O ATOM 0 H SER A 21 2.932 -3.196 -1.370 1.00 54.22 H new ATOM 0 HA SER A 21 2.905 -5.313 -3.389 1.00 54.31 H new ATOM 0 HB2 SER A 21 2.542 -6.526 -1.240 1.00 72.43 H new ATOM 0 HB3 SER A 21 1.194 -5.468 -0.872 1.00 72.43 H new ATOM 0 HG SER A 21 0.508 -7.453 -1.861 1.00 33.35 H new ATOM 350 N THR A 22 0.305 -4.528 -3.851 1.00 60.21 N ATOM 351 CA THR A 22 -0.763 -3.752 -4.503 1.00 21.11 C ATOM 352 C THR A 22 -2.136 -3.994 -3.862 1.00 20.13 C ATOM 353 O THR A 22 -2.358 -5.012 -3.201 1.00 21.24 O ATOM 354 CB THR A 22 -0.867 -4.076 -6.013 1.00 72.14 C ATOM 355 OG1 THR A 22 -1.233 -5.451 -6.204 1.00 31.02 O ATOM 356 CG2 THR A 22 0.452 -3.791 -6.728 1.00 12.01 C ATOM 0 H THR A 22 0.234 -5.537 -3.982 1.00 60.21 H new ATOM 0 HA THR A 22 -0.486 -2.706 -4.369 1.00 21.11 H new ATOM 0 HB THR A 22 -1.638 -3.435 -6.440 1.00 72.14 H new ATOM 0 HG1 THR A 22 -0.423 -5.994 -6.303 1.00 31.02 H new ATOM 0 HG21 THR A 22 0.350 -4.028 -7.787 1.00 12.01 H new ATOM 0 HG22 THR A 22 0.707 -2.737 -6.614 1.00 12.01 H new ATOM 0 HG23 THR A 22 1.241 -4.404 -6.294 1.00 12.01 H new ATOM 364 N TYR A 23 -3.059 -3.047 -4.067 1.00 33.02 N ATOM 365 CA TYR A 23 -4.436 -3.175 -3.569 1.00 71.13 C ATOM 366 C TYR A 23 -5.072 -4.486 -4.049 1.00 14.12 C ATOM 367 O TYR A 23 -5.756 -5.173 -3.290 1.00 72.42 O ATOM 368 CB TYR A 23 -5.300 -1.992 -4.037 1.00 34.11 C ATOM 369 CG TYR A 23 -4.737 -0.626 -3.683 1.00 43.35 C ATOM 370 CD1 TYR A 23 -4.507 -0.263 -2.360 1.00 30.40 C ATOM 371 CD2 TYR A 23 -4.437 0.301 -4.677 1.00 44.54 C ATOM 372 CE1 TYR A 23 -3.992 0.980 -2.040 1.00 23.22 C ATOM 373 CE2 TYR A 23 -3.923 1.543 -4.364 1.00 2.14 C ATOM 374 CZ TYR A 23 -3.701 1.879 -3.046 1.00 33.11 C ATOM 375 OH TYR A 23 -3.189 3.118 -2.733 1.00 54.03 O ATOM 0 H TYR A 23 -2.878 -2.181 -4.575 1.00 33.02 H new ATOM 0 HA TYR A 23 -4.391 -3.177 -2.480 1.00 71.13 H new ATOM 0 HB2 TYR A 23 -5.422 -2.052 -5.118 1.00 34.11 H new ATOM 0 HB3 TYR A 23 -6.293 -2.087 -3.598 1.00 34.11 H new ATOM 0 HD1 TYR A 23 -4.734 -0.963 -1.570 1.00 30.40 H new ATOM 0 HD2 TYR A 23 -4.610 0.044 -5.712 1.00 44.54 H new ATOM 0 HE1 TYR A 23 -3.818 1.246 -1.008 1.00 23.22 H new ATOM 0 HE2 TYR A 23 -3.696 2.249 -5.149 1.00 2.14 H new ATOM 0 HH TYR A 23 -2.820 3.533 -3.541 1.00 54.03 H new ATOM 385 N GLY A 24 -4.830 -4.821 -5.316 1.00 12.30 N ATOM 386 CA GLY A 24 -5.341 -6.062 -5.884 1.00 75.41 C ATOM 387 C GLY A 24 -4.797 -7.306 -5.190 1.00 61.24 C ATOM 388 O GLY A 24 -5.557 -8.209 -4.844 1.00 10.42 O ATOM 0 H GLY A 24 -4.286 -4.251 -5.964 1.00 12.30 H new ATOM 0 HA2 GLY A 24 -6.429 -6.063 -5.819 1.00 75.41 H new ATOM 0 HA3 GLY A 24 -5.085 -6.103 -6.943 1.00 75.41 H new ATOM 392 N GLU A 25 -3.481 -7.354 -4.981 1.00 42.22 N ATOM 393 CA GLU A 25 -2.851 -8.472 -4.264 1.00 44.10 C ATOM 394 C GLU A 25 -3.471 -8.665 -2.871 1.00 62.53 C ATOM 395 O GLU A 25 -3.918 -9.763 -2.530 1.00 32.51 O ATOM 396 CB GLU A 25 -1.336 -8.243 -4.147 1.00 45.35 C ATOM 397 CG GLU A 25 -0.583 -8.468 -5.456 1.00 3.13 C ATOM 398 CD GLU A 25 0.876 -8.038 -5.398 1.00 13.23 C ATOM 399 OE1 GLU A 25 1.678 -8.717 -4.727 1.00 11.33 O ATOM 400 OE2 GLU A 25 1.231 -7.035 -6.049 1.00 71.40 O ATOM 0 H GLU A 25 -2.829 -6.636 -5.296 1.00 42.22 H new ATOM 0 HA GLU A 25 -3.030 -9.381 -4.838 1.00 44.10 H new ATOM 0 HB2 GLU A 25 -1.156 -7.224 -3.804 1.00 45.35 H new ATOM 0 HB3 GLU A 25 -0.933 -8.911 -3.386 1.00 45.35 H new ATOM 0 HG2 GLU A 25 -0.632 -9.525 -5.717 1.00 3.13 H new ATOM 0 HG3 GLU A 25 -1.084 -7.919 -6.253 1.00 3.13 H new ATOM 407 N ILE A 26 -3.505 -7.597 -2.079 1.00 54.31 N ATOM 408 CA ILE A 26 -4.088 -7.649 -0.732 1.00 43.11 C ATOM 409 C ILE A 26 -5.566 -8.082 -0.773 1.00 33.01 C ATOM 410 O ILE A 26 -5.978 -8.989 -0.050 1.00 62.01 O ATOM 411 CB ILE A 26 -3.975 -6.273 -0.023 1.00 70.43 C ATOM 412 CG1 ILE A 26 -2.498 -5.844 0.093 1.00 13.31 C ATOM 413 CG2 ILE A 26 -4.638 -6.315 1.356 1.00 44.21 C ATOM 414 CD1 ILE A 26 -1.635 -6.805 0.882 1.00 14.40 C ATOM 0 H ILE A 26 -3.137 -6.683 -2.342 1.00 54.31 H new ATOM 0 HA ILE A 26 -3.522 -8.391 -0.169 1.00 43.11 H new ATOM 0 HB ILE A 26 -4.500 -5.533 -0.627 1.00 70.43 H new ATOM 0 HG12 ILE A 26 -2.082 -5.738 -0.909 1.00 13.31 H new ATOM 0 HG13 ILE A 26 -2.452 -4.862 0.563 1.00 13.31 H new ATOM 0 HG21 ILE A 26 -4.546 -5.340 1.834 1.00 44.21 H new ATOM 0 HG22 ILE A 26 -5.693 -6.567 1.245 1.00 44.21 H new ATOM 0 HG23 ILE A 26 -4.148 -7.069 1.973 1.00 44.21 H new ATOM 0 HD11 ILE A 26 -0.612 -6.431 0.917 1.00 14.40 H new ATOM 0 HD12 ILE A 26 -2.023 -6.894 1.897 1.00 14.40 H new ATOM 0 HD13 ILE A 26 -1.647 -7.783 0.402 1.00 14.40 H new ATOM 426 N ALA A 27 -6.351 -7.436 -1.634 1.00 2.40 N ATOM 427 CA ALA A 27 -7.781 -7.738 -1.770 1.00 53.42 C ATOM 428 C ALA A 27 -8.028 -9.213 -2.137 1.00 25.01 C ATOM 429 O ALA A 27 -8.841 -9.895 -1.511 1.00 72.42 O ATOM 430 CB ALA A 27 -8.408 -6.822 -2.812 1.00 73.50 C ATOM 0 H ALA A 27 -6.021 -6.695 -2.253 1.00 2.40 H new ATOM 0 HA ALA A 27 -8.250 -7.563 -0.802 1.00 53.42 H new ATOM 0 HB1 ALA A 27 -9.469 -7.052 -2.907 1.00 73.50 H new ATOM 0 HB2 ALA A 27 -8.288 -5.784 -2.503 1.00 73.50 H new ATOM 0 HB3 ALA A 27 -7.916 -6.974 -3.773 1.00 73.50 H new ATOM 436 N LYS A 28 -7.313 -9.700 -3.151 1.00 73.54 N ATOM 437 CA LYS A 28 -7.454 -11.089 -3.612 1.00 41.41 C ATOM 438 C LYS A 28 -7.058 -12.096 -2.521 1.00 62.31 C ATOM 439 O LYS A 28 -7.695 -13.137 -2.363 1.00 12.02 O ATOM 440 CB LYS A 28 -6.604 -11.328 -4.869 1.00 50.11 C ATOM 441 CG LYS A 28 -7.073 -10.550 -6.096 1.00 52.15 C ATOM 442 CD LYS A 28 -6.177 -10.786 -7.316 1.00 2.31 C ATOM 443 CE LYS A 28 -6.253 -12.218 -7.847 1.00 5.05 C ATOM 444 NZ LYS A 28 -5.595 -13.210 -6.949 1.00 54.21 N ATOM 0 H LYS A 28 -6.627 -9.154 -3.673 1.00 73.54 H new ATOM 0 HA LYS A 28 -8.506 -11.244 -3.850 1.00 41.41 H new ATOM 0 HB2 LYS A 28 -5.571 -11.056 -4.653 1.00 50.11 H new ATOM 0 HB3 LYS A 28 -6.611 -12.393 -5.102 1.00 50.11 H new ATOM 0 HG2 LYS A 28 -8.095 -10.841 -6.338 1.00 52.15 H new ATOM 0 HG3 LYS A 28 -7.091 -9.485 -5.863 1.00 52.15 H new ATOM 0 HD2 LYS A 28 -6.463 -10.095 -8.109 1.00 2.31 H new ATOM 0 HD3 LYS A 28 -5.145 -10.557 -7.051 1.00 2.31 H new ATOM 0 HE2 LYS A 28 -7.299 -12.495 -7.980 1.00 5.05 H new ATOM 0 HE3 LYS A 28 -5.785 -12.260 -8.830 1.00 5.05 H new ATOM 0 HZ1 LYS A 28 -4.997 -13.847 -7.514 1.00 54.21 H new ATOM 0 HZ2 LYS A 28 -5.007 -12.711 -6.252 1.00 54.21 H new ATOM 0 HZ3 LYS A 28 -6.322 -13.766 -6.454 1.00 54.21 H new ATOM 458 N MET A 29 -6.001 -11.784 -1.774 1.00 41.22 N ATOM 459 CA MET A 29 -5.536 -12.663 -0.694 1.00 63.45 C ATOM 460 C MET A 29 -6.389 -12.500 0.579 1.00 43.00 C ATOM 461 O MET A 29 -6.341 -13.339 1.478 1.00 72.13 O ATOM 462 CB MET A 29 -4.055 -12.397 -0.396 1.00 62.42 C ATOM 463 CG MET A 29 -3.135 -12.756 -1.560 1.00 3.14 C ATOM 464 SD MET A 29 -1.386 -12.501 -1.193 1.00 60.13 S ATOM 465 CE MET A 29 -1.336 -10.730 -0.923 1.00 2.31 C ATOM 0 H MET A 29 -5.450 -10.934 -1.893 1.00 41.22 H new ATOM 0 HA MET A 29 -5.648 -13.694 -1.028 1.00 63.45 H new ATOM 0 HB2 MET A 29 -3.924 -11.343 -0.149 1.00 62.42 H new ATOM 0 HB3 MET A 29 -3.759 -12.970 0.483 1.00 62.42 H new ATOM 0 HG2 MET A 29 -3.294 -13.800 -1.831 1.00 3.14 H new ATOM 0 HG3 MET A 29 -3.408 -12.156 -2.428 1.00 3.14 H new ATOM 0 HE1 MET A 29 -0.489 -10.304 -1.461 1.00 2.31 H new ATOM 0 HE2 MET A 29 -2.260 -10.280 -1.286 1.00 2.31 H new ATOM 0 HE3 MET A 29 -1.228 -10.527 0.143 1.00 2.31 H new ATOM 475 N ALA A 30 -7.159 -11.414 0.649 1.00 1.33 N ATOM 476 CA ALA A 30 -8.100 -11.195 1.755 1.00 5.41 C ATOM 477 C ALA A 30 -9.449 -11.877 1.485 1.00 74.11 C ATOM 478 O ALA A 30 -10.139 -12.308 2.410 1.00 61.51 O ATOM 479 CB ALA A 30 -8.300 -9.701 1.981 1.00 34.20 C ATOM 0 H ALA A 30 -7.152 -10.669 -0.047 1.00 1.33 H new ATOM 0 HA ALA A 30 -7.675 -11.641 2.654 1.00 5.41 H new ATOM 0 HB1 ALA A 30 -8.999 -9.548 2.803 1.00 34.20 H new ATOM 0 HB2 ALA A 30 -7.344 -9.239 2.227 1.00 34.20 H new ATOM 0 HB3 ALA A 30 -8.700 -9.246 1.075 1.00 34.20 H new ATOM 485 N GLY A 31 -9.814 -11.976 0.207 1.00 42.04 N ATOM 486 CA GLY A 31 -11.081 -12.599 -0.175 1.00 11.13 C ATOM 487 C GLY A 31 -12.070 -11.624 -0.814 1.00 34.33 C ATOM 488 O GLY A 31 -13.246 -11.949 -0.984 1.00 21.44 O ATOM 0 H GLY A 31 -9.255 -11.636 -0.576 1.00 42.04 H new ATOM 0 HA2 GLY A 31 -10.881 -13.412 -0.873 1.00 11.13 H new ATOM 0 HA3 GLY A 31 -11.540 -13.043 0.708 1.00 11.13 H new ATOM 492 N TYR A 32 -11.597 -10.431 -1.174 1.00 71.11 N ATOM 493 CA TYR A 32 -12.446 -9.408 -1.804 1.00 73.44 C ATOM 494 C TYR A 32 -11.781 -8.843 -3.080 1.00 3.31 C ATOM 495 O TYR A 32 -11.399 -7.673 -3.121 1.00 73.11 O ATOM 496 CB TYR A 32 -12.717 -8.265 -0.811 1.00 44.02 C ATOM 497 CG TYR A 32 -13.361 -8.705 0.493 1.00 5.04 C ATOM 498 CD1 TYR A 32 -12.587 -9.168 1.555 1.00 25.24 C ATOM 499 CD2 TYR A 32 -14.740 -8.644 0.668 1.00 63.51 C ATOM 500 CE1 TYR A 32 -13.169 -9.557 2.747 1.00 51.32 C ATOM 501 CE2 TYR A 32 -15.326 -9.028 1.859 1.00 52.04 C ATOM 502 CZ TYR A 32 -14.537 -9.484 2.895 1.00 25.21 C ATOM 503 OH TYR A 32 -15.119 -9.864 4.084 1.00 65.50 O ATOM 0 H TYR A 32 -10.627 -10.144 -1.041 1.00 71.11 H new ATOM 0 HA TYR A 32 -13.389 -9.877 -2.086 1.00 73.44 H new ATOM 0 HB2 TYR A 32 -11.775 -7.765 -0.586 1.00 44.02 H new ATOM 0 HB3 TYR A 32 -13.362 -7.529 -1.290 1.00 44.02 H new ATOM 0 HD1 TYR A 32 -11.514 -9.224 1.445 1.00 25.24 H new ATOM 0 HD2 TYR A 32 -15.363 -8.291 -0.141 1.00 63.51 H new ATOM 0 HE1 TYR A 32 -12.554 -9.917 3.559 1.00 51.32 H new ATOM 0 HE2 TYR A 32 -16.398 -8.971 1.979 1.00 52.04 H new ATOM 0 HH TYR A 32 -16.091 -9.750 4.024 1.00 65.50 H new ATOM 513 N PRO A 33 -11.643 -9.666 -4.143 1.00 34.14 N ATOM 514 CA PRO A 33 -10.917 -9.274 -5.374 1.00 23.12 C ATOM 515 C PRO A 33 -11.438 -7.980 -6.026 1.00 52.24 C ATOM 516 O PRO A 33 -10.660 -7.079 -6.347 1.00 25.51 O ATOM 517 CB PRO A 33 -11.139 -10.472 -6.311 1.00 65.12 C ATOM 518 CG PRO A 33 -11.418 -11.619 -5.400 1.00 41.32 C ATOM 519 CD PRO A 33 -12.177 -11.039 -4.239 1.00 33.12 C ATOM 0 HA PRO A 33 -9.872 -9.055 -5.156 1.00 23.12 H new ATOM 0 HB2 PRO A 33 -11.973 -10.294 -6.990 1.00 65.12 H new ATOM 0 HB3 PRO A 33 -10.260 -10.661 -6.927 1.00 65.12 H new ATOM 0 HG2 PRO A 33 -12.003 -12.388 -5.906 1.00 41.32 H new ATOM 0 HG3 PRO A 33 -10.493 -12.089 -5.067 1.00 41.32 H new ATOM 0 HD2 PRO A 33 -13.252 -11.042 -4.418 1.00 33.12 H new ATOM 0 HD3 PRO A 33 -12.005 -11.603 -3.323 1.00 33.12 H new ATOM 527 N GLY A 34 -12.754 -7.885 -6.218 1.00 72.24 N ATOM 528 CA GLY A 34 -13.340 -6.717 -6.882 1.00 34.23 C ATOM 529 C GLY A 34 -13.530 -5.510 -5.960 1.00 30.22 C ATOM 530 O GLY A 34 -14.558 -4.828 -6.027 1.00 21.14 O ATOM 0 H GLY A 34 -13.429 -8.593 -5.928 1.00 72.24 H new ATOM 0 HA2 GLY A 34 -12.701 -6.427 -7.717 1.00 34.23 H new ATOM 0 HA3 GLY A 34 -14.306 -6.997 -7.302 1.00 34.23 H new ATOM 534 N TYR A 35 -12.539 -5.237 -5.106 1.00 1.04 N ATOM 535 CA TYR A 35 -12.615 -4.119 -4.150 1.00 2.21 C ATOM 536 C TYR A 35 -11.269 -3.389 -3.982 1.00 54.23 C ATOM 537 O TYR A 35 -11.066 -2.687 -2.991 1.00 33.33 O ATOM 538 CB TYR A 35 -13.101 -4.627 -2.783 1.00 53.21 C ATOM 539 CG TYR A 35 -14.576 -4.987 -2.747 1.00 31.12 C ATOM 540 CD1 TYR A 35 -15.534 -4.028 -2.440 1.00 2.10 C ATOM 541 CD2 TYR A 35 -15.011 -6.280 -3.019 1.00 54.41 C ATOM 542 CE1 TYR A 35 -16.877 -4.344 -2.405 1.00 34.25 C ATOM 543 CE2 TYR A 35 -16.353 -6.603 -2.988 1.00 65.45 C ATOM 544 CZ TYR A 35 -17.281 -5.633 -2.681 1.00 4.14 C ATOM 545 OH TYR A 35 -18.620 -5.951 -2.654 1.00 33.22 O ATOM 0 H TYR A 35 -11.673 -5.773 -5.054 1.00 1.04 H new ATOM 0 HA TYR A 35 -13.326 -3.401 -4.558 1.00 2.21 H new ATOM 0 HB2 TYR A 35 -12.517 -5.504 -2.504 1.00 53.21 H new ATOM 0 HB3 TYR A 35 -12.906 -3.862 -2.032 1.00 53.21 H new ATOM 0 HD1 TYR A 35 -15.222 -3.017 -2.225 1.00 2.10 H new ATOM 0 HD2 TYR A 35 -14.287 -7.044 -3.259 1.00 54.41 H new ATOM 0 HE1 TYR A 35 -17.607 -3.586 -2.163 1.00 34.25 H new ATOM 0 HE2 TYR A 35 -16.673 -7.612 -3.203 1.00 65.45 H new ATOM 0 HH TYR A 35 -18.735 -6.899 -2.872 1.00 33.22 H new ATOM 555 N ALA A 36 -10.371 -3.517 -4.963 1.00 63.23 N ATOM 556 CA ALA A 36 -9.037 -2.895 -4.880 1.00 62.22 C ATOM 557 C ALA A 36 -9.120 -1.381 -4.605 1.00 20.11 C ATOM 558 O ALA A 36 -8.477 -0.869 -3.683 1.00 34.11 O ATOM 559 CB ALA A 36 -8.252 -3.156 -6.162 1.00 12.13 C ATOM 0 H ALA A 36 -10.538 -4.042 -5.822 1.00 63.23 H new ATOM 0 HA ALA A 36 -8.516 -3.352 -4.038 1.00 62.22 H new ATOM 0 HB1 ALA A 36 -7.269 -2.691 -6.088 1.00 12.13 H new ATOM 0 HB2 ALA A 36 -8.136 -4.230 -6.305 1.00 12.13 H new ATOM 0 HB3 ALA A 36 -8.790 -2.733 -7.010 1.00 12.13 H new ATOM 565 N ARG A 37 -9.914 -0.671 -5.409 1.00 24.40 N ATOM 566 CA ARG A 37 -10.142 0.770 -5.214 1.00 42.24 C ATOM 567 C ARG A 37 -10.651 1.086 -3.795 1.00 42.00 C ATOM 568 O ARG A 37 -10.278 2.100 -3.200 1.00 13.01 O ATOM 569 CB ARG A 37 -11.139 1.294 -6.262 1.00 70.44 C ATOM 570 CG ARG A 37 -12.446 0.505 -6.321 1.00 24.12 C ATOM 571 CD ARG A 37 -13.425 1.090 -7.337 1.00 31.10 C ATOM 572 NE ARG A 37 -14.607 0.244 -7.512 1.00 61.31 N ATOM 573 CZ ARG A 37 -15.841 0.664 -7.417 1.00 32.11 C ATOM 574 NH1 ARG A 37 -16.106 1.889 -7.099 1.00 21.32 N ATOM 575 NH2 ARG A 37 -16.817 -0.153 -7.630 1.00 13.05 N ATOM 0 H ARG A 37 -10.413 -1.068 -6.205 1.00 24.40 H new ATOM 0 HA ARG A 37 -9.184 1.274 -5.339 1.00 42.24 H new ATOM 0 HB2 ARG A 37 -11.365 2.338 -6.044 1.00 70.44 H new ATOM 0 HB3 ARG A 37 -10.666 1.269 -7.244 1.00 70.44 H new ATOM 0 HG2 ARG A 37 -12.232 -0.532 -6.580 1.00 24.12 H new ATOM 0 HG3 ARG A 37 -12.909 0.498 -5.334 1.00 24.12 H new ATOM 0 HD2 ARG A 37 -13.735 2.083 -7.011 1.00 31.10 H new ATOM 0 HD3 ARG A 37 -12.922 1.212 -8.296 1.00 31.10 H new ATOM 0 HE ARG A 37 -14.457 -0.743 -7.723 1.00 61.31 H new ATOM 0 HH11 ARG A 37 -15.346 2.545 -6.918 1.00 21.32 H new ATOM 0 HH12 ARG A 37 -17.075 2.200 -7.029 1.00 21.32 H new ATOM 0 HH21 ARG A 37 -16.625 -1.125 -7.872 1.00 13.05 H new ATOM 0 HH22 ARG A 37 -17.781 0.173 -7.556 1.00 13.05 H new ATOM 589 N HIS A 38 -11.491 0.204 -3.253 1.00 3.13 N ATOM 590 CA HIS A 38 -12.069 0.403 -1.919 1.00 71.45 C ATOM 591 C HIS A 38 -11.020 0.190 -0.817 1.00 20.10 C ATOM 592 O HIS A 38 -11.012 0.901 0.190 1.00 62.43 O ATOM 593 CB HIS A 38 -13.263 -0.533 -1.713 1.00 14.30 C ATOM 594 CG HIS A 38 -14.371 -0.314 -2.702 1.00 72.13 C ATOM 595 ND1 HIS A 38 -15.280 0.704 -2.547 1.00 33.45 N ATOM 596 CD2 HIS A 38 -14.671 -1.002 -3.831 1.00 24.33 C ATOM 597 CE1 HIS A 38 -16.103 0.612 -3.575 1.00 31.15 C ATOM 598 NE2 HIS A 38 -15.777 -0.407 -4.379 1.00 61.24 N ATOM 0 H HIS A 38 -11.788 -0.656 -3.715 1.00 3.13 H new ATOM 0 HA HIS A 38 -12.415 1.435 -1.852 1.00 71.45 H new ATOM 0 HB2 HIS A 38 -12.922 -1.566 -1.784 1.00 14.30 H new ATOM 0 HB3 HIS A 38 -13.654 -0.395 -0.705 1.00 14.30 H new ATOM 0 HD1 HIS A 38 -15.312 1.390 -1.793 1.00 33.45 H new ATOM 0 HD2 HIS A 38 -14.140 -1.856 -4.224 1.00 24.33 H new ATOM 0 HE1 HIS A 38 -16.937 1.277 -3.746 1.00 31.15 H new ATOM 606 N VAL A 39 -10.132 -0.785 -1.016 1.00 32.34 N ATOM 607 CA VAL A 39 -9.019 -1.019 -0.086 1.00 63.11 C ATOM 608 C VAL A 39 -8.166 0.249 0.070 1.00 33.24 C ATOM 609 O VAL A 39 -7.849 0.664 1.185 1.00 21.22 O ATOM 610 CB VAL A 39 -8.116 -2.194 -0.558 1.00 1.41 C ATOM 611 CG1 VAL A 39 -6.939 -2.403 0.400 1.00 64.23 C ATOM 612 CG2 VAL A 39 -8.931 -3.479 -0.702 1.00 34.24 C ATOM 0 H VAL A 39 -10.159 -1.425 -1.809 1.00 32.34 H new ATOM 0 HA VAL A 39 -9.455 -1.283 0.877 1.00 63.11 H new ATOM 0 HB VAL A 39 -7.711 -1.934 -1.536 1.00 1.41 H new ATOM 0 HG11 VAL A 39 -6.324 -3.231 0.046 1.00 64.23 H new ATOM 0 HG12 VAL A 39 -6.337 -1.495 0.440 1.00 64.23 H new ATOM 0 HG13 VAL A 39 -7.317 -2.632 1.396 1.00 64.23 H new ATOM 0 HG21 VAL A 39 -8.280 -4.288 -1.033 1.00 34.24 H new ATOM 0 HG22 VAL A 39 -9.373 -3.739 0.260 1.00 34.24 H new ATOM 0 HG23 VAL A 39 -9.723 -3.327 -1.436 1.00 34.24 H new ATOM 622 N GLY A 40 -7.820 0.871 -1.058 1.00 21.51 N ATOM 623 CA GLY A 40 -7.059 2.118 -1.034 1.00 10.31 C ATOM 624 C GLY A 40 -7.758 3.231 -0.255 1.00 22.32 C ATOM 625 O GLY A 40 -7.139 3.907 0.568 1.00 70.42 O ATOM 0 H GLY A 40 -8.053 0.534 -1.992 1.00 21.51 H new ATOM 0 HA2 GLY A 40 -6.081 1.931 -0.591 1.00 10.31 H new ATOM 0 HA3 GLY A 40 -6.887 2.452 -2.057 1.00 10.31 H new ATOM 629 N LYS A 41 -9.052 3.420 -0.512 1.00 74.01 N ATOM 630 CA LYS A 41 -9.848 4.422 0.208 1.00 54.41 C ATOM 631 C LYS A 41 -9.916 4.107 1.714 1.00 21.53 C ATOM 632 O LYS A 41 -9.892 5.010 2.553 1.00 34.22 O ATOM 633 CB LYS A 41 -11.260 4.505 -0.393 1.00 65.33 C ATOM 634 CG LYS A 41 -11.274 5.002 -1.839 1.00 30.20 C ATOM 635 CD LYS A 41 -12.685 5.049 -2.418 1.00 4.20 C ATOM 636 CE LYS A 41 -12.692 5.568 -3.854 1.00 11.25 C ATOM 637 NZ LYS A 41 -12.171 6.959 -3.952 1.00 23.15 N ATOM 0 H LYS A 41 -9.574 2.894 -1.213 1.00 74.01 H new ATOM 0 HA LYS A 41 -9.359 5.390 0.096 1.00 54.41 H new ATOM 0 HB2 LYS A 41 -11.724 3.520 -0.350 1.00 65.33 H new ATOM 0 HB3 LYS A 41 -11.869 5.171 0.219 1.00 65.33 H new ATOM 0 HG2 LYS A 41 -10.831 5.997 -1.884 1.00 30.20 H new ATOM 0 HG3 LYS A 41 -10.653 4.349 -2.452 1.00 30.20 H new ATOM 0 HD2 LYS A 41 -13.123 4.051 -2.390 1.00 4.20 H new ATOM 0 HD3 LYS A 41 -13.311 5.689 -1.797 1.00 4.20 H new ATOM 0 HE2 LYS A 41 -12.088 4.911 -4.479 1.00 11.25 H new ATOM 0 HE3 LYS A 41 -13.709 5.534 -4.246 1.00 11.25 H new ATOM 0 HZ1 LYS A 41 -12.380 7.342 -4.896 1.00 23.15 H new ATOM 0 HZ2 LYS A 41 -12.626 7.552 -3.229 1.00 23.15 H new ATOM 0 HZ3 LYS A 41 -11.142 6.956 -3.800 1.00 23.15 H new ATOM 651 N ALA A 42 -9.988 2.821 2.048 1.00 45.13 N ATOM 652 CA ALA A 42 -9.970 2.380 3.446 1.00 72.22 C ATOM 653 C ALA A 42 -8.629 2.721 4.122 1.00 75.50 C ATOM 654 O ALA A 42 -8.591 3.141 5.282 1.00 62.53 O ATOM 655 CB ALA A 42 -10.243 0.883 3.525 1.00 2.14 C ATOM 0 H ALA A 42 -10.060 2.062 1.370 1.00 45.13 H new ATOM 0 HA ALA A 42 -10.756 2.912 3.981 1.00 72.22 H new ATOM 0 HB1 ALA A 42 -10.228 0.565 4.567 1.00 2.14 H new ATOM 0 HB2 ALA A 42 -11.221 0.668 3.095 1.00 2.14 H new ATOM 0 HB3 ALA A 42 -9.476 0.343 2.970 1.00 2.14 H new ATOM 661 N LEU A 43 -7.532 2.538 3.384 1.00 44.02 N ATOM 662 CA LEU A 43 -6.189 2.860 3.885 1.00 4.23 C ATOM 663 C LEU A 43 -5.992 4.378 4.021 1.00 24.15 C ATOM 664 O LEU A 43 -5.385 4.854 4.981 1.00 23.01 O ATOM 665 CB LEU A 43 -5.124 2.275 2.949 1.00 25.12 C ATOM 666 CG LEU A 43 -5.162 0.747 2.792 1.00 23.35 C ATOM 667 CD1 LEU A 43 -4.082 0.277 1.821 1.00 24.03 C ATOM 668 CD2 LEU A 43 -5.013 0.062 4.149 1.00 51.11 C ATOM 0 H LEU A 43 -7.545 2.167 2.434 1.00 44.02 H new ATOM 0 HA LEU A 43 -6.084 2.416 4.875 1.00 4.23 H new ATOM 0 HB2 LEU A 43 -5.239 2.729 1.965 1.00 25.12 H new ATOM 0 HB3 LEU A 43 -4.140 2.562 3.319 1.00 25.12 H new ATOM 0 HG LEU A 43 -6.131 0.469 2.378 1.00 23.35 H new ATOM 0 HD11 LEU A 43 -4.127 -0.808 1.724 1.00 24.03 H new ATOM 0 HD12 LEU A 43 -4.245 0.735 0.846 1.00 24.03 H new ATOM 0 HD13 LEU A 43 -3.102 0.568 2.199 1.00 24.03 H new ATOM 0 HD21 LEU A 43 -5.042 -1.019 4.016 1.00 51.11 H new ATOM 0 HD22 LEU A 43 -4.061 0.347 4.598 1.00 51.11 H new ATOM 0 HD23 LEU A 43 -5.829 0.369 4.803 1.00 51.11 H new ATOM 680 N GLY A 44 -6.527 5.133 3.062 1.00 72.43 N ATOM 681 CA GLY A 44 -6.437 6.590 3.105 1.00 24.33 C ATOM 682 C GLY A 44 -7.154 7.207 4.310 1.00 11.23 C ATOM 683 O GLY A 44 -6.964 8.383 4.620 1.00 3.31 O ATOM 0 H GLY A 44 -7.024 4.762 2.252 1.00 72.43 H new ATOM 0 HA2 GLY A 44 -5.387 6.882 3.128 1.00 24.33 H new ATOM 0 HA3 GLY A 44 -6.862 7.000 2.189 1.00 24.33 H new ATOM 687 N ASN A 45 -7.981 6.411 4.988 1.00 55.13 N ATOM 688 CA ASN A 45 -8.715 6.879 6.171 1.00 22.32 C ATOM 689 C ASN A 45 -7.915 6.630 7.466 1.00 4.23 C ATOM 690 O ASN A 45 -8.251 7.161 8.526 1.00 0.22 O ATOM 691 CB ASN A 45 -10.080 6.173 6.244 1.00 43.24 C ATOM 692 CG ASN A 45 -10.984 6.717 7.342 1.00 51.31 C ATOM 693 OD1 ASN A 45 -11.765 5.982 7.937 1.00 0.22 O ATOM 694 ND2 ASN A 45 -10.904 8.008 7.607 1.00 13.41 N ATOM 0 H ASN A 45 -8.162 5.438 4.741 1.00 55.13 H new ATOM 0 HA ASN A 45 -8.865 7.955 6.078 1.00 22.32 H new ATOM 0 HB2 ASN A 45 -10.585 6.275 5.284 1.00 43.24 H new ATOM 0 HB3 ASN A 45 -9.921 5.107 6.409 1.00 43.24 H new ATOM 0 HD21 ASN A 45 -11.502 8.420 8.324 1.00 13.41 H new ATOM 0 HD22 ASN A 45 -10.244 8.594 7.095 1.00 13.41 H new ATOM 701 N LEU A 46 -6.851 5.832 7.373 1.00 62.14 N ATOM 702 CA LEU A 46 -6.035 5.486 8.547 1.00 33.31 C ATOM 703 C LEU A 46 -5.291 6.710 9.118 1.00 43.55 C ATOM 704 O LEU A 46 -4.670 7.477 8.377 1.00 52.33 O ATOM 705 CB LEU A 46 -5.034 4.381 8.185 1.00 42.50 C ATOM 706 CG LEU A 46 -5.661 3.005 7.892 1.00 54.34 C ATOM 707 CD1 LEU A 46 -4.596 2.008 7.449 1.00 52.22 C ATOM 708 CD2 LEU A 46 -6.413 2.489 9.119 1.00 13.04 C ATOM 0 H LEU A 46 -6.531 5.412 6.501 1.00 62.14 H new ATOM 0 HA LEU A 46 -6.712 5.126 9.322 1.00 33.31 H new ATOM 0 HB2 LEU A 46 -4.466 4.698 7.310 1.00 42.50 H new ATOM 0 HB3 LEU A 46 -4.323 4.273 9.004 1.00 42.50 H new ATOM 0 HG LEU A 46 -6.374 3.119 7.076 1.00 54.34 H new ATOM 0 HD11 LEU A 46 -5.062 1.043 7.248 1.00 52.22 H new ATOM 0 HD12 LEU A 46 -4.110 2.373 6.544 1.00 52.22 H new ATOM 0 HD13 LEU A 46 -3.853 1.894 8.239 1.00 52.22 H new ATOM 0 HD21 LEU A 46 -6.850 1.516 8.895 1.00 13.04 H new ATOM 0 HD22 LEU A 46 -5.721 2.392 9.956 1.00 13.04 H new ATOM 0 HD23 LEU A 46 -7.205 3.190 9.382 1.00 13.04 H new ATOM 720 N PRO A 47 -5.336 6.892 10.454 1.00 73.11 N ATOM 721 CA PRO A 47 -4.720 8.052 11.119 1.00 22.32 C ATOM 722 C PRO A 47 -3.184 7.972 11.208 1.00 41.11 C ATOM 723 O PRO A 47 -2.586 6.896 11.106 1.00 50.03 O ATOM 724 CB PRO A 47 -5.340 8.010 12.521 1.00 25.31 C ATOM 725 CG PRO A 47 -5.620 6.565 12.761 1.00 70.34 C ATOM 726 CD PRO A 47 -5.992 5.985 11.420 1.00 53.34 C ATOM 0 HA PRO A 47 -4.905 8.973 10.566 1.00 22.32 H new ATOM 0 HB2 PRO A 47 -4.657 8.412 13.269 1.00 25.31 H new ATOM 0 HB3 PRO A 47 -6.252 8.605 12.570 1.00 25.31 H new ATOM 0 HG2 PRO A 47 -4.746 6.062 13.175 1.00 70.34 H new ATOM 0 HG3 PRO A 47 -6.430 6.439 13.479 1.00 70.34 H new ATOM 0 HD2 PRO A 47 -5.635 4.960 11.314 1.00 53.34 H new ATOM 0 HD3 PRO A 47 -7.073 5.963 11.279 1.00 53.34 H new ATOM 734 N GLU A 48 -2.565 9.130 11.435 1.00 13.33 N ATOM 735 CA GLU A 48 -1.102 9.249 11.550 1.00 32.34 C ATOM 736 C GLU A 48 -0.534 8.439 12.732 1.00 35.21 C ATOM 737 O GLU A 48 0.678 8.238 12.831 1.00 11.24 O ATOM 738 CB GLU A 48 -0.723 10.730 11.707 1.00 32.34 C ATOM 739 CG GLU A 48 -1.429 11.418 12.873 1.00 11.05 C ATOM 740 CD GLU A 48 -1.066 12.889 12.999 1.00 23.33 C ATOM 741 OE1 GLU A 48 -1.623 13.714 12.245 1.00 70.40 O ATOM 742 OE2 GLU A 48 -0.229 13.230 13.862 1.00 11.14 O ATOM 0 H GLU A 48 -3.059 10.016 11.545 1.00 13.33 H new ATOM 0 HA GLU A 48 -0.666 8.838 10.640 1.00 32.34 H new ATOM 0 HB2 GLU A 48 0.355 10.808 11.848 1.00 32.34 H new ATOM 0 HB3 GLU A 48 -0.963 11.258 10.784 1.00 32.34 H new ATOM 0 HG2 GLU A 48 -2.507 11.325 12.744 1.00 11.05 H new ATOM 0 HG3 GLU A 48 -1.173 10.905 13.800 1.00 11.05 H new ATOM 749 N GLY A 49 -1.411 7.979 13.627 1.00 43.10 N ATOM 750 CA GLY A 49 -0.971 7.216 14.793 1.00 75.55 C ATOM 751 C GLY A 49 -1.306 5.725 14.722 1.00 5.41 C ATOM 752 O GLY A 49 -1.306 5.039 15.745 1.00 12.23 O ATOM 0 H GLY A 49 -2.419 8.120 13.567 1.00 43.10 H new ATOM 0 HA2 GLY A 49 0.107 7.331 14.904 1.00 75.55 H new ATOM 0 HA3 GLY A 49 -1.430 7.639 15.686 1.00 75.55 H new ATOM 756 N SER A 50 -1.595 5.216 13.521 1.00 70.41 N ATOM 757 CA SER A 50 -1.886 3.782 13.341 1.00 72.23 C ATOM 758 C SER A 50 -0.598 2.945 13.297 1.00 53.00 C ATOM 759 O SER A 50 0.463 3.440 12.914 1.00 40.41 O ATOM 760 CB SER A 50 -2.686 3.545 12.054 1.00 0.33 C ATOM 761 OG SER A 50 -2.921 2.158 11.843 1.00 45.42 O ATOM 0 H SER A 50 -1.635 5.766 12.663 1.00 70.41 H new ATOM 0 HA SER A 50 -2.478 3.467 14.200 1.00 72.23 H new ATOM 0 HB2 SER A 50 -3.638 4.073 12.112 1.00 0.33 H new ATOM 0 HB3 SER A 50 -2.143 3.958 11.204 1.00 0.33 H new ATOM 0 HG SER A 50 -3.434 2.035 11.017 1.00 45.42 H new ATOM 767 N LYS A 51 -0.696 1.675 13.690 1.00 35.12 N ATOM 768 CA LYS A 51 0.457 0.761 13.667 1.00 23.33 C ATOM 769 C LYS A 51 0.398 -0.169 12.440 1.00 34.43 C ATOM 770 O LYS A 51 1.201 -1.094 12.300 1.00 12.44 O ATOM 771 CB LYS A 51 0.506 -0.064 14.966 1.00 10.11 C ATOM 772 CG LYS A 51 1.864 -0.708 15.237 1.00 42.15 C ATOM 773 CD LYS A 51 1.846 -1.582 16.491 1.00 55.33 C ATOM 774 CE LYS A 51 1.011 -2.843 16.298 1.00 31.01 C ATOM 775 NZ LYS A 51 1.603 -3.751 15.278 1.00 32.24 N ATOM 0 H LYS A 51 -1.560 1.251 14.029 1.00 35.12 H new ATOM 0 HA LYS A 51 1.366 1.358 13.595 1.00 23.33 H new ATOM 0 HB2 LYS A 51 0.247 0.581 15.805 1.00 10.11 H new ATOM 0 HB3 LYS A 51 -0.253 -0.845 14.918 1.00 10.11 H new ATOM 0 HG2 LYS A 51 2.156 -1.313 14.378 1.00 42.15 H new ATOM 0 HG3 LYS A 51 2.618 0.071 15.349 1.00 42.15 H new ATOM 0 HD2 LYS A 51 2.867 -1.860 16.753 1.00 55.33 H new ATOM 0 HD3 LYS A 51 1.447 -1.008 17.327 1.00 55.33 H new ATOM 0 HE2 LYS A 51 0.926 -3.371 17.248 1.00 31.01 H new ATOM 0 HE3 LYS A 51 0.001 -2.567 15.995 1.00 31.01 H new ATOM 0 HZ1 LYS A 51 1.164 -4.691 15.354 1.00 32.24 H new ATOM 0 HZ2 LYS A 51 1.432 -3.364 14.328 1.00 32.24 H new ATOM 0 HZ3 LYS A 51 2.627 -3.833 15.439 1.00 32.24 H new ATOM 789 N LEU A 52 -0.568 0.084 11.558 1.00 64.34 N ATOM 790 CA LEU A 52 -0.711 -0.673 10.308 1.00 74.35 C ATOM 791 C LEU A 52 -0.013 0.057 9.148 1.00 72.24 C ATOM 792 O LEU A 52 -0.417 1.159 8.771 1.00 63.44 O ATOM 793 CB LEU A 52 -2.202 -0.872 9.981 1.00 73.50 C ATOM 794 CG LEU A 52 -2.506 -1.491 8.602 1.00 43.12 C ATOM 795 CD1 LEU A 52 -1.928 -2.899 8.481 1.00 71.24 C ATOM 796 CD2 LEU A 52 -4.008 -1.502 8.345 1.00 74.35 C ATOM 0 H LEU A 52 -1.270 0.813 11.685 1.00 64.34 H new ATOM 0 HA LEU A 52 -0.239 -1.647 10.438 1.00 74.35 H new ATOM 0 HB2 LEU A 52 -2.642 -1.508 10.749 1.00 73.50 H new ATOM 0 HB3 LEU A 52 -2.701 0.095 10.043 1.00 73.50 H new ATOM 0 HG LEU A 52 -2.026 -0.872 7.844 1.00 43.12 H new ATOM 0 HD11 LEU A 52 -2.161 -3.305 7.497 1.00 71.24 H new ATOM 0 HD12 LEU A 52 -0.846 -2.861 8.611 1.00 71.24 H new ATOM 0 HD13 LEU A 52 -2.363 -3.538 9.249 1.00 71.24 H new ATOM 0 HD21 LEU A 52 -4.207 -1.942 7.368 1.00 74.35 H new ATOM 0 HD22 LEU A 52 -4.505 -2.091 9.116 1.00 74.35 H new ATOM 0 HD23 LEU A 52 -4.388 -0.481 8.367 1.00 74.35 H new ATOM 808 N PRO A 53 1.047 -0.533 8.562 1.00 65.42 N ATOM 809 CA PRO A 53 1.738 0.090 7.430 1.00 25.10 C ATOM 810 C PRO A 53 0.917 0.000 6.131 1.00 64.43 C ATOM 811 O PRO A 53 0.982 -0.989 5.404 1.00 2.31 O ATOM 812 CB PRO A 53 3.033 -0.728 7.319 1.00 34.14 C ATOM 813 CG PRO A 53 2.675 -2.071 7.866 1.00 63.23 C ATOM 814 CD PRO A 53 1.652 -1.825 8.949 1.00 24.31 C ATOM 0 HA PRO A 53 1.908 1.156 7.581 1.00 25.10 H new ATOM 0 HB2 PRO A 53 3.371 -0.798 6.285 1.00 34.14 H new ATOM 0 HB3 PRO A 53 3.842 -0.270 7.889 1.00 34.14 H new ATOM 0 HG2 PRO A 53 2.268 -2.714 7.085 1.00 63.23 H new ATOM 0 HG3 PRO A 53 3.554 -2.575 8.268 1.00 63.23 H new ATOM 0 HD2 PRO A 53 0.909 -2.621 8.988 1.00 24.31 H new ATOM 0 HD3 PRO A 53 2.115 -1.773 9.934 1.00 24.31 H new ATOM 822 N TRP A 54 0.160 1.053 5.837 1.00 51.32 N ATOM 823 CA TRP A 54 -0.678 1.094 4.631 1.00 51.21 C ATOM 824 C TRP A 54 0.092 1.662 3.433 1.00 4.45 C ATOM 825 O TRP A 54 -0.201 1.348 2.282 1.00 15.41 O ATOM 826 CB TRP A 54 -1.938 1.929 4.898 1.00 75.45 C ATOM 827 CG TRP A 54 -1.657 3.339 5.336 1.00 64.21 C ATOM 828 CD1 TRP A 54 -1.474 3.784 6.616 1.00 54.44 C ATOM 829 CD2 TRP A 54 -1.533 4.489 4.491 1.00 1.33 C ATOM 830 NE1 TRP A 54 -1.240 5.137 6.614 1.00 24.03 N ATOM 831 CE2 TRP A 54 -1.272 5.592 5.323 1.00 23.01 C ATOM 832 CE3 TRP A 54 -1.617 4.691 3.111 1.00 11.02 C ATOM 833 CZ2 TRP A 54 -1.091 6.878 4.821 1.00 4.11 C ATOM 834 CZ3 TRP A 54 -1.440 5.966 2.614 1.00 22.20 C ATOM 835 CH2 TRP A 54 -1.177 7.045 3.467 1.00 24.24 C ATOM 0 H TRP A 54 0.106 1.892 6.414 1.00 51.32 H new ATOM 0 HA TRP A 54 -0.968 0.073 4.385 1.00 51.21 H new ATOM 0 HB2 TRP A 54 -2.543 1.955 3.991 1.00 75.45 H new ATOM 0 HB3 TRP A 54 -2.534 1.433 5.665 1.00 75.45 H new ATOM 0 HD1 TRP A 54 -1.508 3.163 7.499 1.00 54.44 H new ATOM 0 HE1 TRP A 54 -1.070 5.710 7.440 1.00 24.03 H new ATOM 0 HE3 TRP A 54 -1.817 3.864 2.445 1.00 11.02 H new ATOM 0 HZ2 TRP A 54 -0.890 7.712 5.477 1.00 4.11 H new ATOM 0 HZ3 TRP A 54 -1.505 6.135 1.549 1.00 22.20 H new ATOM 0 HH2 TRP A 54 -1.039 8.030 3.046 1.00 24.24 H new ATOM 846 N PHE A 55 1.093 2.489 3.722 1.00 63.24 N ATOM 847 CA PHE A 55 1.912 3.121 2.684 1.00 65.24 C ATOM 848 C PHE A 55 2.606 2.088 1.778 1.00 23.40 C ATOM 849 O PHE A 55 2.978 2.396 0.649 1.00 41.34 O ATOM 850 CB PHE A 55 2.949 4.057 3.324 1.00 24.21 C ATOM 851 CG PHE A 55 3.789 3.418 4.406 1.00 15.45 C ATOM 852 CD1 PHE A 55 3.377 3.444 5.731 1.00 2.13 C ATOM 853 CD2 PHE A 55 4.996 2.806 4.101 1.00 55.31 C ATOM 854 CE1 PHE A 55 4.149 2.874 6.725 1.00 50.15 C ATOM 855 CE2 PHE A 55 5.771 2.235 5.091 1.00 13.13 C ATOM 856 CZ PHE A 55 5.349 2.268 6.404 1.00 12.13 C ATOM 0 H PHE A 55 1.360 2.741 4.674 1.00 63.24 H new ATOM 0 HA PHE A 55 1.243 3.703 2.051 1.00 65.24 H new ATOM 0 HB2 PHE A 55 3.610 4.433 2.543 1.00 24.21 H new ATOM 0 HB3 PHE A 55 2.431 4.918 3.745 1.00 24.21 H new ATOM 0 HD1 PHE A 55 2.440 3.916 5.989 1.00 2.13 H new ATOM 0 HD2 PHE A 55 5.334 2.776 3.076 1.00 55.31 H new ATOM 0 HE1 PHE A 55 3.815 2.902 7.752 1.00 50.15 H new ATOM 0 HE2 PHE A 55 6.708 1.762 4.837 1.00 13.13 H new ATOM 0 HZ PHE A 55 5.955 1.822 7.179 1.00 12.13 H new ATOM 866 N ARG A 56 2.764 0.862 2.270 1.00 45.43 N ATOM 867 CA ARG A 56 3.393 -0.209 1.486 1.00 42.54 C ATOM 868 C ARG A 56 2.406 -0.862 0.502 1.00 11.03 C ATOM 869 O ARG A 56 2.741 -1.843 -0.157 1.00 13.43 O ATOM 870 CB ARG A 56 3.997 -1.272 2.415 1.00 10.24 C ATOM 871 CG ARG A 56 5.151 -0.744 3.260 1.00 12.31 C ATOM 872 CD ARG A 56 5.852 -1.850 4.045 1.00 14.12 C ATOM 873 NE ARG A 56 7.055 -1.360 4.714 1.00 1.33 N ATOM 874 CZ ARG A 56 8.178 -1.096 4.097 1.00 42.23 C ATOM 875 NH1 ARG A 56 8.305 -1.331 2.830 1.00 13.14 N ATOM 876 NH2 ARG A 56 9.185 -0.619 4.760 1.00 22.03 N ATOM 0 H ARG A 56 2.468 0.581 3.205 1.00 45.43 H new ATOM 0 HA ARG A 56 4.189 0.247 0.898 1.00 42.54 H new ATOM 0 HB2 ARG A 56 3.218 -1.655 3.074 1.00 10.24 H new ATOM 0 HB3 ARG A 56 4.348 -2.112 1.816 1.00 10.24 H new ATOM 0 HG2 ARG A 56 5.874 -0.247 2.613 1.00 12.31 H new ATOM 0 HG3 ARG A 56 4.775 0.008 3.954 1.00 12.31 H new ATOM 0 HD2 ARG A 56 5.166 -2.261 4.785 1.00 14.12 H new ATOM 0 HD3 ARG A 56 6.117 -2.663 3.370 1.00 14.12 H new ATOM 0 HE ARG A 56 7.017 -1.215 5.723 1.00 1.33 H new ATOM 0 HH11 ARG A 56 7.525 -1.725 2.304 1.00 13.14 H new ATOM 0 HH12 ARG A 56 9.185 -1.122 2.358 1.00 13.14 H new ATOM 0 HH21 ARG A 56 9.102 -0.450 5.762 1.00 22.03 H new ATOM 0 HH22 ARG A 56 10.061 -0.413 4.279 1.00 22.03 H new ATOM 890 N VAL A 57 1.194 -0.315 0.403 1.00 25.20 N ATOM 891 CA VAL A 57 0.186 -0.835 -0.528 1.00 13.25 C ATOM 892 C VAL A 57 -0.155 0.203 -1.618 1.00 50.00 C ATOM 893 O VAL A 57 -0.749 1.249 -1.342 1.00 40.50 O ATOM 894 CB VAL A 57 -1.109 -1.256 0.215 1.00 4.03 C ATOM 895 CG1 VAL A 57 -2.056 -2.001 -0.724 1.00 64.35 C ATOM 896 CG2 VAL A 57 -0.781 -2.108 1.442 1.00 25.45 C ATOM 0 H VAL A 57 0.885 0.486 0.954 1.00 25.20 H new ATOM 0 HA VAL A 57 0.616 -1.717 -1.003 1.00 13.25 H new ATOM 0 HB VAL A 57 -1.612 -0.351 0.556 1.00 4.03 H new ATOM 0 HG11 VAL A 57 -2.957 -2.286 -0.181 1.00 64.35 H new ATOM 0 HG12 VAL A 57 -2.325 -1.353 -1.558 1.00 64.35 H new ATOM 0 HG13 VAL A 57 -1.563 -2.896 -1.104 1.00 64.35 H new ATOM 0 HG21 VAL A 57 -1.705 -2.391 1.946 1.00 25.45 H new ATOM 0 HG22 VAL A 57 -0.249 -3.006 1.129 1.00 25.45 H new ATOM 0 HG23 VAL A 57 -0.155 -1.535 2.126 1.00 25.45 H new ATOM 906 N ILE A 58 0.237 -0.091 -2.854 1.00 20.01 N ATOM 907 CA ILE A 58 -0.008 0.797 -4.001 1.00 11.31 C ATOM 908 C ILE A 58 -0.902 0.112 -5.049 1.00 32.13 C ATOM 909 O ILE A 58 -1.492 -0.929 -4.777 1.00 54.34 O ATOM 910 CB ILE A 58 1.328 1.241 -4.649 1.00 10.55 C ATOM 911 CG1 ILE A 58 2.175 0.012 -5.025 1.00 25.32 C ATOM 912 CG2 ILE A 58 2.091 2.173 -3.706 1.00 31.31 C ATOM 913 CD1 ILE A 58 3.512 0.356 -5.646 1.00 11.52 C ATOM 0 H ILE A 58 0.733 -0.949 -3.095 1.00 20.01 H new ATOM 0 HA ILE A 58 -0.527 1.681 -3.630 1.00 11.31 H new ATOM 0 HB ILE A 58 1.111 1.792 -5.564 1.00 10.55 H new ATOM 0 HG12 ILE A 58 2.344 -0.588 -4.131 1.00 25.32 H new ATOM 0 HG13 ILE A 58 1.610 -0.607 -5.722 1.00 25.32 H new ATOM 0 HG21 ILE A 58 3.027 2.477 -4.174 1.00 31.31 H new ATOM 0 HG22 ILE A 58 1.486 3.055 -3.498 1.00 31.31 H new ATOM 0 HG23 ILE A 58 2.304 1.651 -2.773 1.00 31.31 H new ATOM 0 HD11 ILE A 58 4.050 -0.562 -5.883 1.00 11.52 H new ATOM 0 HD12 ILE A 58 3.352 0.929 -6.559 1.00 11.52 H new ATOM 0 HD13 ILE A 58 4.098 0.949 -4.943 1.00 11.52 H new ATOM 925 N ASN A 59 -1.032 0.697 -6.239 1.00 2.54 N ATOM 926 CA ASN A 59 -1.905 0.121 -7.273 1.00 41.10 C ATOM 927 C ASN A 59 -1.135 -0.831 -8.204 1.00 24.34 C ATOM 928 O ASN A 59 0.098 -0.861 -8.200 1.00 43.14 O ATOM 929 CB ASN A 59 -2.613 1.227 -8.074 1.00 63.23 C ATOM 930 CG ASN A 59 -1.666 2.182 -8.781 1.00 42.12 C ATOM 931 OD1 ASN A 59 -0.577 1.808 -9.202 1.00 23.23 O ATOM 932 ND2 ASN A 59 -2.078 3.424 -8.917 1.00 32.51 N ATOM 0 H ASN A 59 -0.554 1.556 -6.513 1.00 2.54 H new ATOM 0 HA ASN A 59 -2.667 -0.470 -6.765 1.00 41.10 H new ATOM 0 HB2 ASN A 59 -3.265 0.764 -8.815 1.00 63.23 H new ATOM 0 HB3 ASN A 59 -3.251 1.798 -7.400 1.00 63.23 H new ATOM 0 HD21 ASN A 59 -1.485 4.110 -9.385 1.00 32.51 H new ATOM 0 HD22 ASN A 59 -2.990 3.701 -8.555 1.00 32.51 H new ATOM 939 N SER A 60 -1.875 -1.602 -9.005 1.00 24.32 N ATOM 940 CA SER A 60 -1.286 -2.618 -9.904 1.00 41.31 C ATOM 941 C SER A 60 -0.296 -2.013 -10.913 1.00 5.54 C ATOM 942 O SER A 60 0.526 -2.727 -11.493 1.00 41.34 O ATOM 943 CB SER A 60 -2.397 -3.357 -10.665 1.00 42.13 C ATOM 944 OG SER A 60 -3.164 -2.459 -11.459 1.00 10.22 O ATOM 0 H SER A 60 -2.892 -1.547 -9.055 1.00 24.32 H new ATOM 0 HA SER A 60 -0.732 -3.313 -9.273 1.00 41.31 H new ATOM 0 HB2 SER A 60 -1.956 -4.124 -11.302 1.00 42.13 H new ATOM 0 HB3 SER A 60 -3.049 -3.867 -9.956 1.00 42.13 H new ATOM 0 HG SER A 60 -3.862 -2.957 -11.933 1.00 10.22 H new ATOM 950 N GLN A 61 -0.376 -0.702 -11.124 1.00 1.25 N ATOM 951 CA GLN A 61 0.525 -0.008 -12.055 1.00 74.23 C ATOM 952 C GLN A 61 1.842 0.400 -11.374 1.00 5.43 C ATOM 953 O GLN A 61 2.691 1.059 -11.983 1.00 62.21 O ATOM 954 CB GLN A 61 -0.170 1.235 -12.632 1.00 74.10 C ATOM 955 CG GLN A 61 -1.464 0.926 -13.377 1.00 12.34 C ATOM 956 CD GLN A 61 -1.266 -0.006 -14.565 1.00 73.13 C ATOM 957 OE1 GLN A 61 -0.214 -0.017 -15.201 1.00 73.11 O ATOM 958 NE2 GLN A 61 -2.278 -0.788 -14.880 1.00 61.41 N ATOM 0 H GLN A 61 -1.054 -0.094 -10.665 1.00 1.25 H new ATOM 0 HA GLN A 61 0.765 -0.701 -12.861 1.00 74.23 H new ATOM 0 HB2 GLN A 61 -0.386 1.929 -11.820 1.00 74.10 H new ATOM 0 HB3 GLN A 61 0.517 1.742 -13.310 1.00 74.10 H new ATOM 0 HG2 GLN A 61 -2.175 0.475 -12.685 1.00 12.34 H new ATOM 0 HG3 GLN A 61 -1.906 1.859 -13.726 1.00 12.34 H new ATOM 0 HE21 GLN A 61 -3.138 -0.755 -14.332 1.00 61.41 H new ATOM 0 HE22 GLN A 61 -2.202 -1.427 -15.672 1.00 61.41 H new ATOM 967 N GLY A 62 2.012 -0.004 -10.116 1.00 14.13 N ATOM 968 CA GLY A 62 3.199 0.370 -9.359 1.00 20.24 C ATOM 969 C GLY A 62 3.243 1.860 -9.046 1.00 13.41 C ATOM 970 O GLY A 62 4.305 2.480 -9.084 1.00 12.51 O ATOM 0 H GLY A 62 1.347 -0.585 -9.605 1.00 14.13 H new ATOM 0 HA2 GLY A 62 3.225 -0.195 -8.427 1.00 20.24 H new ATOM 0 HA3 GLY A 62 4.089 0.094 -9.924 1.00 20.24 H new ATOM 974 N LYS A 63 2.081 2.433 -8.742 1.00 41.13 N ATOM 975 CA LYS A 63 1.964 3.872 -8.483 1.00 50.22 C ATOM 976 C LYS A 63 1.178 4.163 -7.197 1.00 22.44 C ATOM 977 O LYS A 63 0.375 3.349 -6.734 1.00 60.33 O ATOM 978 CB LYS A 63 1.261 4.567 -9.658 1.00 24.33 C ATOM 979 CG LYS A 63 1.994 4.452 -10.988 1.00 71.14 C ATOM 980 CD LYS A 63 1.203 5.115 -12.112 1.00 51.04 C ATOM 981 CE LYS A 63 0.963 6.601 -11.847 1.00 12.34 C ATOM 982 NZ LYS A 63 0.115 7.228 -12.895 1.00 50.42 N ATOM 0 H LYS A 63 1.201 1.923 -8.668 1.00 41.13 H new ATOM 0 HA LYS A 63 2.977 4.258 -8.365 1.00 50.22 H new ATOM 0 HB2 LYS A 63 0.263 4.144 -9.770 1.00 24.33 H new ATOM 0 HB3 LYS A 63 1.135 5.622 -9.417 1.00 24.33 H new ATOM 0 HG2 LYS A 63 2.976 4.918 -10.907 1.00 71.14 H new ATOM 0 HG3 LYS A 63 2.159 3.401 -11.226 1.00 71.14 H new ATOM 0 HD2 LYS A 63 1.742 4.997 -13.052 1.00 51.04 H new ATOM 0 HD3 LYS A 63 0.245 4.609 -12.228 1.00 51.04 H new ATOM 0 HE2 LYS A 63 0.485 6.723 -10.875 1.00 12.34 H new ATOM 0 HE3 LYS A 63 1.921 7.119 -11.799 1.00 12.34 H new ATOM 0 HZ1 LYS A 63 -0.021 8.235 -12.675 1.00 50.42 H new ATOM 0 HZ2 LYS A 63 0.581 7.136 -13.820 1.00 50.42 H new ATOM 0 HZ3 LYS A 63 -0.809 6.752 -12.925 1.00 50.42 H new ATOM 996 N ILE A 64 1.417 5.339 -6.634 1.00 32.44 N ATOM 997 CA ILE A 64 0.660 5.831 -5.487 1.00 4.35 C ATOM 998 C ILE A 64 -0.701 6.378 -5.949 1.00 4.13 C ATOM 999 O ILE A 64 -0.781 7.460 -6.536 1.00 11.12 O ATOM 1000 CB ILE A 64 1.458 6.936 -4.745 1.00 73.12 C ATOM 1001 CG1 ILE A 64 2.778 6.361 -4.200 1.00 22.13 C ATOM 1002 CG2 ILE A 64 0.636 7.556 -3.619 1.00 13.31 C ATOM 1003 CD1 ILE A 64 3.635 7.376 -3.470 1.00 73.32 C ATOM 0 H ILE A 64 2.141 5.980 -6.958 1.00 32.44 H new ATOM 0 HA ILE A 64 0.493 5.003 -4.798 1.00 4.35 H new ATOM 0 HB ILE A 64 1.686 7.727 -5.460 1.00 73.12 H new ATOM 0 HG12 ILE A 64 2.552 5.537 -3.523 1.00 22.13 H new ATOM 0 HG13 ILE A 64 3.351 5.945 -5.028 1.00 22.13 H new ATOM 0 HG21 ILE A 64 1.225 8.326 -3.120 1.00 13.31 H new ATOM 0 HG22 ILE A 64 -0.269 8.002 -4.032 1.00 13.31 H new ATOM 0 HG23 ILE A 64 0.364 6.784 -2.899 1.00 13.31 H new ATOM 0 HD11 ILE A 64 4.547 6.895 -3.116 1.00 73.32 H new ATOM 0 HD12 ILE A 64 3.893 8.189 -4.148 1.00 73.32 H new ATOM 0 HD13 ILE A 64 3.082 7.775 -2.620 1.00 73.32 H new ATOM 1015 N SER A 65 -1.763 5.607 -5.708 1.00 50.04 N ATOM 1016 CA SER A 65 -3.115 5.979 -6.160 1.00 3.11 C ATOM 1017 C SER A 65 -3.603 7.273 -5.496 1.00 24.05 C ATOM 1018 O SER A 65 -4.460 7.977 -6.038 1.00 5.41 O ATOM 1019 CB SER A 65 -4.114 4.850 -5.876 1.00 43.53 C ATOM 1020 OG SER A 65 -5.403 5.163 -6.384 1.00 50.32 O ATOM 0 H SER A 65 -1.718 4.722 -5.204 1.00 50.04 H new ATOM 0 HA SER A 65 -3.055 6.148 -7.235 1.00 3.11 H new ATOM 0 HB2 SER A 65 -3.758 3.924 -6.327 1.00 43.53 H new ATOM 0 HB3 SER A 65 -4.176 4.678 -4.801 1.00 43.53 H new ATOM 0 HG SER A 65 -6.019 4.426 -6.190 1.00 50.32 H new ATOM 1026 N LEU A 66 -3.066 7.570 -4.316 1.00 0.25 N ATOM 1027 CA LEU A 66 -3.397 8.807 -3.605 1.00 72.22 C ATOM 1028 C LEU A 66 -2.704 10.013 -4.254 1.00 11.13 C ATOM 1029 O LEU A 66 -1.577 9.908 -4.742 1.00 14.45 O ATOM 1030 CB LEU A 66 -2.993 8.699 -2.129 1.00 62.22 C ATOM 1031 CG LEU A 66 -3.687 7.574 -1.343 1.00 61.41 C ATOM 1032 CD1 LEU A 66 -3.241 7.579 0.115 1.00 5.33 C ATOM 1033 CD2 LEU A 66 -5.208 7.693 -1.444 1.00 24.21 C ATOM 0 H LEU A 66 -2.399 6.972 -3.829 1.00 0.25 H new ATOM 0 HA LEU A 66 -4.475 8.955 -3.667 1.00 72.22 H new ATOM 0 HB2 LEU A 66 -1.915 8.548 -2.074 1.00 62.22 H new ATOM 0 HB3 LEU A 66 -3.207 9.649 -1.639 1.00 62.22 H new ATOM 0 HG LEU A 66 -3.393 6.623 -1.787 1.00 61.41 H new ATOM 0 HD11 LEU A 66 -3.744 6.775 0.652 1.00 5.33 H new ATOM 0 HD12 LEU A 66 -2.162 7.430 0.166 1.00 5.33 H new ATOM 0 HD13 LEU A 66 -3.497 8.536 0.571 1.00 5.33 H new ATOM 0 HD21 LEU A 66 -5.674 6.886 -0.880 1.00 24.21 H new ATOM 0 HD22 LEU A 66 -5.526 8.652 -1.035 1.00 24.21 H new ATOM 0 HD23 LEU A 66 -5.510 7.626 -2.489 1.00 24.21 H new ATOM 1045 N LYS A 67 -3.372 11.163 -4.250 1.00 33.11 N ATOM 1046 CA LYS A 67 -2.850 12.351 -4.935 1.00 74.42 C ATOM 1047 C LYS A 67 -2.951 13.610 -4.061 1.00 61.53 C ATOM 1048 O LYS A 67 -3.555 13.594 -2.988 1.00 2.13 O ATOM 1049 CB LYS A 67 -3.589 12.550 -6.267 1.00 61.41 C ATOM 1050 CG LYS A 67 -5.072 12.888 -6.125 1.00 34.20 C ATOM 1051 CD LYS A 67 -5.836 12.762 -7.451 1.00 64.11 C ATOM 1052 CE LYS A 67 -5.236 13.612 -8.576 1.00 71.51 C ATOM 1053 NZ LYS A 67 -4.035 12.982 -9.199 1.00 13.52 N ATOM 0 H LYS A 67 -4.269 11.302 -3.785 1.00 33.11 H new ATOM 0 HA LYS A 67 -1.791 12.187 -5.133 1.00 74.42 H new ATOM 0 HB2 LYS A 67 -3.099 13.349 -6.824 1.00 61.41 H new ATOM 0 HB3 LYS A 67 -3.492 11.641 -6.861 1.00 61.41 H new ATOM 0 HG2 LYS A 67 -5.523 12.226 -5.386 1.00 34.20 H new ATOM 0 HG3 LYS A 67 -5.174 13.905 -5.746 1.00 34.20 H new ATOM 0 HD2 LYS A 67 -5.845 11.717 -7.760 1.00 64.11 H new ATOM 0 HD3 LYS A 67 -6.873 13.058 -7.295 1.00 64.11 H new ATOM 0 HE2 LYS A 67 -5.993 13.778 -9.343 1.00 71.51 H new ATOM 0 HE3 LYS A 67 -4.963 14.590 -8.180 1.00 71.51 H new ATOM 0 HZ1 LYS A 67 -3.182 13.504 -8.913 1.00 13.52 H new ATOM 0 HZ2 LYS A 67 -3.958 11.994 -8.884 1.00 13.52 H new ATOM 0 HZ3 LYS A 67 -4.127 13.009 -10.235 1.00 13.52 H new ATOM 1067 N GLY A 68 -2.342 14.702 -4.526 1.00 5.40 N ATOM 1068 CA GLY A 68 -2.333 15.940 -3.756 1.00 43.35 C ATOM 1069 C GLY A 68 -1.592 15.802 -2.430 1.00 61.24 C ATOM 1070 O GLY A 68 -0.412 15.443 -2.405 1.00 31.45 O ATOM 0 H GLY A 68 -1.855 14.752 -5.421 1.00 5.40 H new ATOM 0 HA2 GLY A 68 -1.867 16.728 -4.348 1.00 43.35 H new ATOM 0 HA3 GLY A 68 -3.360 16.251 -3.563 1.00 43.35 H new ATOM 1074 N ARG A 69 -2.282 16.071 -1.326 1.00 54.01 N ATOM 1075 CA ARG A 69 -1.675 15.980 0.009 1.00 20.34 C ATOM 1076 C ARG A 69 -1.429 14.518 0.411 1.00 11.41 C ATOM 1077 O ARG A 69 -0.450 14.202 1.092 1.00 42.33 O ATOM 1078 CB ARG A 69 -2.577 16.665 1.044 1.00 43.44 C ATOM 1079 CG ARG A 69 -3.001 18.074 0.639 1.00 31.24 C ATOM 1080 CD ARG A 69 -3.919 18.720 1.670 1.00 13.04 C ATOM 1081 NE ARG A 69 -4.543 19.934 1.146 1.00 35.40 N ATOM 1082 CZ ARG A 69 -4.554 21.087 1.753 1.00 24.04 C ATOM 1083 NH1 ARG A 69 -3.983 21.238 2.902 1.00 34.25 N ATOM 1084 NH2 ARG A 69 -5.147 22.092 1.205 1.00 32.41 N ATOM 0 H ARG A 69 -3.262 16.354 -1.323 1.00 54.01 H new ATOM 0 HA ARG A 69 -0.711 16.488 -0.023 1.00 20.34 H new ATOM 0 HB2 ARG A 69 -3.468 16.056 1.199 1.00 43.44 H new ATOM 0 HB3 ARG A 69 -2.052 16.711 1.998 1.00 43.44 H new ATOM 0 HG2 ARG A 69 -2.114 18.694 0.506 1.00 31.24 H new ATOM 0 HG3 ARG A 69 -3.510 18.035 -0.324 1.00 31.24 H new ATOM 0 HD2 ARG A 69 -4.692 18.011 1.965 1.00 13.04 H new ATOM 0 HD3 ARG A 69 -3.348 18.961 2.567 1.00 13.04 H new ATOM 0 HE ARG A 69 -5.004 19.874 0.238 1.00 35.40 H new ATOM 0 HH11 ARG A 69 -3.515 20.448 3.347 1.00 34.25 H new ATOM 0 HH12 ARG A 69 -4.000 22.147 3.365 1.00 34.25 H new ATOM 0 HH21 ARG A 69 -5.605 21.983 0.300 1.00 32.41 H new ATOM 0 HH22 ARG A 69 -5.158 22.997 1.676 1.00 32.41 H new ATOM 1098 N ASP A 70 -2.317 13.625 -0.025 1.00 35.22 N ATOM 1099 CA ASP A 70 -2.214 12.202 0.309 1.00 70.52 C ATOM 1100 C ASP A 70 -1.076 11.511 -0.462 1.00 22.23 C ATOM 1101 O ASP A 70 -0.619 10.434 -0.072 1.00 55.43 O ATOM 1102 CB ASP A 70 -3.541 11.491 0.041 1.00 5.41 C ATOM 1103 CG ASP A 70 -4.671 12.052 0.880 1.00 10.23 C ATOM 1104 OD1 ASP A 70 -4.740 11.731 2.086 1.00 62.43 O ATOM 1105 OD2 ASP A 70 -5.482 12.834 0.343 1.00 12.35 O ATOM 0 H ASP A 70 -3.118 13.861 -0.611 1.00 35.22 H new ATOM 0 HA ASP A 70 -1.981 12.135 1.372 1.00 70.52 H new ATOM 0 HB2 ASP A 70 -3.794 11.584 -1.015 1.00 5.41 H new ATOM 0 HB3 ASP A 70 -3.430 10.427 0.250 1.00 5.41 H new ATOM 1110 N LEU A 71 -0.612 12.136 -1.547 1.00 52.03 N ATOM 1111 CA LEU A 71 0.508 11.589 -2.319 1.00 2.44 C ATOM 1112 C LEU A 71 1.790 11.617 -1.474 1.00 64.31 C ATOM 1113 O LEU A 71 2.436 10.590 -1.282 1.00 51.43 O ATOM 1114 CB LEU A 71 0.695 12.370 -3.635 1.00 14.22 C ATOM 1115 CG LEU A 71 1.577 11.685 -4.707 1.00 3.14 C ATOM 1116 CD1 LEU A 71 1.295 12.272 -6.090 1.00 15.04 C ATOM 1117 CD2 LEU A 71 3.066 11.812 -4.372 1.00 75.10 C ATOM 0 H LEU A 71 -0.989 13.012 -1.909 1.00 52.03 H new ATOM 0 HA LEU A 71 0.286 10.553 -2.576 1.00 2.44 H new ATOM 0 HB2 LEU A 71 -0.288 12.558 -4.067 1.00 14.22 H new ATOM 0 HB3 LEU A 71 1.131 13.341 -3.400 1.00 14.22 H new ATOM 0 HG LEU A 71 1.323 10.625 -4.715 1.00 3.14 H new ATOM 0 HD11 LEU A 71 1.924 11.778 -6.830 1.00 15.04 H new ATOM 0 HD12 LEU A 71 0.246 12.117 -6.344 1.00 15.04 H new ATOM 0 HD13 LEU A 71 1.513 13.340 -6.083 1.00 15.04 H new ATOM 0 HD21 LEU A 71 3.656 11.320 -5.145 1.00 75.10 H new ATOM 0 HD22 LEU A 71 3.339 12.866 -4.322 1.00 75.10 H new ATOM 0 HD23 LEU A 71 3.264 11.340 -3.409 1.00 75.10 H new ATOM 1129 N ASP A 72 2.147 12.798 -0.962 1.00 71.32 N ATOM 1130 CA ASP A 72 3.313 12.936 -0.079 1.00 64.33 C ATOM 1131 C ASP A 72 3.083 12.227 1.264 1.00 34.35 C ATOM 1132 O ASP A 72 4.030 11.816 1.927 1.00 72.02 O ATOM 1133 CB ASP A 72 3.646 14.410 0.147 1.00 45.52 C ATOM 1134 CG ASP A 72 4.107 15.079 -1.131 1.00 41.44 C ATOM 1135 OD1 ASP A 72 5.289 14.912 -1.499 1.00 22.51 O ATOM 1136 OD2 ASP A 72 3.288 15.754 -1.783 1.00 41.00 O ATOM 0 H ASP A 72 1.649 13.670 -1.141 1.00 71.32 H new ATOM 0 HA ASP A 72 4.160 12.458 -0.571 1.00 64.33 H new ATOM 0 HB2 ASP A 72 2.767 14.927 0.533 1.00 45.52 H new ATOM 0 HB3 ASP A 72 4.425 14.496 0.905 1.00 45.52 H new ATOM 1141 N ARG A 73 1.822 12.094 1.657 1.00 72.24 N ATOM 1142 CA ARG A 73 1.447 11.309 2.841 1.00 72.23 C ATOM 1143 C ARG A 73 2.035 9.883 2.753 1.00 10.22 C ATOM 1144 O ARG A 73 2.880 9.487 3.565 1.00 25.14 O ATOM 1145 CB ARG A 73 -0.086 11.274 2.920 1.00 40.34 C ATOM 1146 CG ARG A 73 -0.687 10.591 4.145 1.00 4.41 C ATOM 1147 CD ARG A 73 -2.216 10.634 4.072 1.00 43.14 C ATOM 1148 NE ARG A 73 -2.870 9.936 5.177 1.00 60.21 N ATOM 1149 CZ ARG A 73 -4.134 9.601 5.174 1.00 73.51 C ATOM 1150 NH1 ARG A 73 -4.903 9.929 4.183 1.00 23.22 N ATOM 1151 NH2 ARG A 73 -4.644 8.958 6.175 1.00 73.21 N ATOM 0 H ARG A 73 1.032 12.521 1.173 1.00 72.24 H new ATOM 0 HA ARG A 73 1.851 11.767 3.744 1.00 72.23 H new ATOM 0 HB2 ARG A 73 -0.453 12.300 2.886 1.00 40.34 H new ATOM 0 HB3 ARG A 73 -0.463 10.771 2.029 1.00 40.34 H new ATOM 0 HG2 ARG A 73 -0.346 9.557 4.199 1.00 4.41 H new ATOM 0 HG3 ARG A 73 -0.344 11.087 5.053 1.00 4.41 H new ATOM 0 HD2 ARG A 73 -2.543 11.674 4.065 1.00 43.14 H new ATOM 0 HD3 ARG A 73 -2.540 10.191 3.130 1.00 43.14 H new ATOM 0 HE ARG A 73 -2.310 9.697 5.995 1.00 60.21 H new ATOM 0 HH11 ARG A 73 -4.523 10.454 3.395 1.00 23.22 H new ATOM 0 HH12 ARG A 73 -5.887 9.662 4.191 1.00 23.22 H new ATOM 0 HH21 ARG A 73 -4.059 8.709 6.973 1.00 73.21 H new ATOM 0 HH22 ARG A 73 -5.631 8.700 6.166 1.00 73.21 H new ATOM 1165 N GLN A 74 1.611 9.133 1.735 1.00 30.50 N ATOM 1166 CA GLN A 74 2.122 7.776 1.495 1.00 62.13 C ATOM 1167 C GLN A 74 3.609 7.800 1.085 1.00 51.32 C ATOM 1168 O GLN A 74 4.425 7.048 1.621 1.00 32.14 O ATOM 1169 CB GLN A 74 1.264 7.087 0.418 1.00 54.31 C ATOM 1170 CG GLN A 74 1.771 5.715 -0.020 1.00 13.00 C ATOM 1171 CD GLN A 74 0.734 4.923 -0.804 1.00 4.14 C ATOM 1172 OE1 GLN A 74 -0.141 5.483 -1.452 1.00 43.42 O ATOM 1173 NE2 GLN A 74 0.839 3.612 -0.768 1.00 35.22 N ATOM 0 H GLN A 74 0.912 9.441 1.059 1.00 30.50 H new ATOM 0 HA GLN A 74 2.054 7.208 2.423 1.00 62.13 H new ATOM 0 HB2 GLN A 74 0.247 6.980 0.796 1.00 54.31 H new ATOM 0 HB3 GLN A 74 1.212 7.736 -0.456 1.00 54.31 H new ATOM 0 HG2 GLN A 74 2.664 5.842 -0.633 1.00 13.00 H new ATOM 0 HG3 GLN A 74 2.067 5.145 0.860 1.00 13.00 H new ATOM 0 HE21 GLN A 74 1.579 3.175 -0.219 1.00 35.22 H new ATOM 0 HE22 GLN A 74 0.181 3.033 -1.289 1.00 35.22 H new ATOM 1182 N LYS A 75 3.948 8.687 0.151 1.00 31.23 N ATOM 1183 CA LYS A 75 5.327 8.843 -0.342 1.00 70.50 C ATOM 1184 C LYS A 75 6.344 9.033 0.796 1.00 70.44 C ATOM 1185 O LYS A 75 7.360 8.345 0.848 1.00 60.53 O ATOM 1186 CB LYS A 75 5.392 10.031 -1.314 1.00 55.44 C ATOM 1187 CG LYS A 75 6.803 10.531 -1.625 1.00 0.43 C ATOM 1188 CD LYS A 75 6.785 11.634 -2.683 1.00 22.41 C ATOM 1189 CE LYS A 75 8.172 12.227 -2.916 1.00 64.22 C ATOM 1190 NZ LYS A 75 8.645 13.028 -1.754 1.00 33.32 N ATOM 0 H LYS A 75 3.280 9.320 -0.289 1.00 31.23 H new ATOM 0 HA LYS A 75 5.598 7.921 -0.857 1.00 70.50 H new ATOM 0 HB2 LYS A 75 4.910 9.744 -2.248 1.00 55.44 H new ATOM 0 HB3 LYS A 75 4.814 10.855 -0.897 1.00 55.44 H new ATOM 0 HG2 LYS A 75 7.266 10.908 -0.713 1.00 0.43 H new ATOM 0 HG3 LYS A 75 7.416 9.700 -1.974 1.00 0.43 H new ATOM 0 HD2 LYS A 75 6.401 11.231 -3.620 1.00 22.41 H new ATOM 0 HD3 LYS A 75 6.101 12.424 -2.372 1.00 22.41 H new ATOM 0 HE2 LYS A 75 8.881 11.422 -3.113 1.00 64.22 H new ATOM 0 HE3 LYS A 75 8.151 12.857 -3.805 1.00 64.22 H new ATOM 0 HZ1 LYS A 75 9.534 13.507 -2.001 1.00 33.32 H new ATOM 0 HZ2 LYS A 75 7.927 13.738 -1.506 1.00 33.32 H new ATOM 0 HZ3 LYS A 75 8.805 12.399 -0.941 1.00 33.32 H new ATOM 1204 N GLN A 76 6.069 9.961 1.704 1.00 60.41 N ATOM 1205 CA GLN A 76 7.001 10.272 2.791 1.00 42.42 C ATOM 1206 C GLN A 76 7.069 9.142 3.828 1.00 64.03 C ATOM 1207 O GLN A 76 8.109 8.933 4.462 1.00 74.12 O ATOM 1208 CB GLN A 76 6.614 11.595 3.456 1.00 0.31 C ATOM 1209 CG GLN A 76 6.845 12.814 2.560 1.00 61.12 C ATOM 1210 CD GLN A 76 6.261 14.097 3.123 1.00 43.22 C ATOM 1211 OE1 GLN A 76 6.801 15.178 2.924 1.00 34.32 O ATOM 1212 NE2 GLN A 76 5.134 13.997 3.800 1.00 5.34 N ATOM 0 H GLN A 76 5.211 10.513 1.713 1.00 60.41 H new ATOM 0 HA GLN A 76 7.996 10.371 2.357 1.00 42.42 H new ATOM 0 HB2 GLN A 76 5.563 11.556 3.741 1.00 0.31 H new ATOM 0 HB3 GLN A 76 7.189 11.714 4.374 1.00 0.31 H new ATOM 0 HG2 GLN A 76 7.916 12.947 2.410 1.00 61.12 H new ATOM 0 HG3 GLN A 76 6.407 12.624 1.580 1.00 61.12 H new ATOM 0 HE21 GLN A 76 4.708 13.082 3.949 1.00 5.34 H new ATOM 0 HE22 GLN A 76 4.688 14.834 4.174 1.00 5.34 H new ATOM 1221 N LYS A 77 5.964 8.419 4.016 1.00 60.11 N ATOM 1222 CA LYS A 77 5.984 7.211 4.851 1.00 30.02 C ATOM 1223 C LYS A 77 6.883 6.125 4.225 1.00 52.51 C ATOM 1224 O LYS A 77 7.555 5.371 4.931 1.00 71.25 O ATOM 1225 CB LYS A 77 4.561 6.677 5.054 1.00 64.33 C ATOM 1226 CG LYS A 77 3.672 7.575 5.911 1.00 15.01 C ATOM 1227 CD LYS A 77 4.191 7.693 7.342 1.00 73.12 C ATOM 1228 CE LYS A 77 3.288 8.567 8.203 1.00 25.24 C ATOM 1229 NZ LYS A 77 3.803 8.693 9.591 1.00 44.13 N ATOM 0 H LYS A 77 5.055 8.642 3.609 1.00 60.11 H new ATOM 0 HA LYS A 77 6.398 7.476 5.824 1.00 30.02 H new ATOM 0 HB2 LYS A 77 4.092 6.545 4.079 1.00 64.33 H new ATOM 0 HB3 LYS A 77 4.617 5.692 5.517 1.00 64.33 H new ATOM 0 HG2 LYS A 77 3.618 8.567 5.462 1.00 15.01 H new ATOM 0 HG3 LYS A 77 2.658 7.175 5.925 1.00 15.01 H new ATOM 0 HD2 LYS A 77 4.264 6.700 7.785 1.00 73.12 H new ATOM 0 HD3 LYS A 77 5.197 8.112 7.330 1.00 73.12 H new ATOM 0 HE2 LYS A 77 3.205 9.557 7.755 1.00 25.24 H new ATOM 0 HE3 LYS A 77 2.284 8.142 8.225 1.00 25.24 H new ATOM 0 HZ1 LYS A 77 3.162 9.295 10.146 1.00 44.13 H new ATOM 0 HZ2 LYS A 77 3.858 7.751 10.028 1.00 44.13 H new ATOM 0 HZ3 LYS A 77 4.750 9.122 9.572 1.00 44.13 H new ATOM 1243 N LEU A 78 6.889 6.062 2.894 1.00 71.22 N ATOM 1244 CA LEU A 78 7.772 5.152 2.148 1.00 12.30 C ATOM 1245 C LEU A 78 9.241 5.597 2.243 1.00 53.12 C ATOM 1246 O LEU A 78 10.134 4.788 2.509 1.00 0.44 O ATOM 1247 CB LEU A 78 7.333 5.107 0.678 1.00 52.40 C ATOM 1248 CG LEU A 78 5.967 4.452 0.429 1.00 44.21 C ATOM 1249 CD1 LEU A 78 5.442 4.802 -0.960 1.00 4.23 C ATOM 1250 CD2 LEU A 78 6.064 2.937 0.601 1.00 60.42 C ATOM 0 H LEU A 78 6.288 6.634 2.301 1.00 71.22 H new ATOM 0 HA LEU A 78 7.694 4.158 2.588 1.00 12.30 H new ATOM 0 HB2 LEU A 78 7.307 6.126 0.291 1.00 52.40 H new ATOM 0 HB3 LEU A 78 8.088 4.568 0.105 1.00 52.40 H new ATOM 0 HG LEU A 78 5.262 4.840 1.164 1.00 44.21 H new ATOM 0 HD11 LEU A 78 4.473 4.327 -1.113 1.00 4.23 H new ATOM 0 HD12 LEU A 78 5.333 5.883 -1.046 1.00 4.23 H new ATOM 0 HD13 LEU A 78 6.144 4.447 -1.714 1.00 4.23 H new ATOM 0 HD21 LEU A 78 5.088 2.487 0.421 1.00 60.42 H new ATOM 0 HD22 LEU A 78 6.785 2.535 -0.111 1.00 60.42 H new ATOM 0 HD23 LEU A 78 6.389 2.706 1.616 1.00 60.42 H new ATOM 1262 N GLU A 79 9.480 6.888 2.018 1.00 42.14 N ATOM 1263 CA GLU A 79 10.821 7.474 2.148 1.00 31.14 C ATOM 1264 C GLU A 79 11.391 7.261 3.558 1.00 11.13 C ATOM 1265 O GLU A 79 12.602 7.125 3.737 1.00 40.23 O ATOM 1266 CB GLU A 79 10.778 8.973 1.802 1.00 2.13 C ATOM 1267 CG GLU A 79 10.611 9.260 0.309 1.00 41.15 C ATOM 1268 CD GLU A 79 11.895 9.040 -0.477 1.00 52.21 C ATOM 1269 OE1 GLU A 79 12.333 7.883 -0.604 1.00 51.33 O ATOM 1270 OE2 GLU A 79 12.492 10.034 -0.944 1.00 14.31 O ATOM 0 H GLU A 79 8.759 7.555 1.743 1.00 42.14 H new ATOM 0 HA GLU A 79 11.482 6.967 1.445 1.00 31.14 H new ATOM 0 HB2 GLU A 79 9.955 9.438 2.346 1.00 2.13 H new ATOM 0 HB3 GLU A 79 11.697 9.443 2.152 1.00 2.13 H new ATOM 0 HG2 GLU A 79 9.828 8.619 -0.095 1.00 41.15 H new ATOM 0 HG3 GLU A 79 10.280 10.290 0.176 1.00 41.15 H new ATOM 1277 N ALA A 80 10.508 7.221 4.555 1.00 12.52 N ATOM 1278 CA ALA A 80 10.904 6.895 5.928 1.00 11.21 C ATOM 1279 C ALA A 80 11.565 5.509 6.005 1.00 21.52 C ATOM 1280 O ALA A 80 12.479 5.289 6.800 1.00 70.41 O ATOM 1281 CB ALA A 80 9.697 6.957 6.854 1.00 74.34 C ATOM 0 H ALA A 80 9.512 7.410 4.439 1.00 12.52 H new ATOM 0 HA ALA A 80 11.637 7.634 6.251 1.00 11.21 H new ATOM 0 HB1 ALA A 80 10.005 6.713 7.871 1.00 74.34 H new ATOM 0 HB2 ALA A 80 9.275 7.962 6.834 1.00 74.34 H new ATOM 0 HB3 ALA A 80 8.946 6.241 6.521 1.00 74.34 H new ATOM 1287 N GLU A 81 11.103 4.581 5.167 1.00 0.31 N ATOM 1288 CA GLU A 81 11.653 3.218 5.123 1.00 1.24 C ATOM 1289 C GLU A 81 12.848 3.114 4.157 1.00 52.35 C ATOM 1290 O GLU A 81 13.560 2.108 4.143 1.00 61.34 O ATOM 1291 CB GLU A 81 10.559 2.231 4.692 1.00 63.42 C ATOM 1292 CG GLU A 81 9.288 2.304 5.532 1.00 31.14 C ATOM 1293 CD GLU A 81 9.458 1.782 6.948 1.00 52.13 C ATOM 1294 OE1 GLU A 81 9.867 2.554 7.836 1.00 55.24 O ATOM 1295 OE2 GLU A 81 9.181 0.590 7.183 1.00 24.41 O ATOM 0 H GLU A 81 10.345 4.746 4.504 1.00 0.31 H new ATOM 0 HA GLU A 81 12.007 2.971 6.124 1.00 1.24 H new ATOM 0 HB2 GLU A 81 10.304 2.421 3.649 1.00 63.42 H new ATOM 0 HB3 GLU A 81 10.958 1.218 4.743 1.00 63.42 H new ATOM 0 HG2 GLU A 81 8.951 3.340 5.575 1.00 31.14 H new ATOM 0 HG3 GLU A 81 8.503 1.733 5.036 1.00 31.14 H new ATOM 1302 N GLY A 82 13.049 4.151 3.347 1.00 12.12 N ATOM 1303 CA GLY A 82 14.138 4.152 2.370 1.00 70.45 C ATOM 1304 C GLY A 82 13.783 3.416 1.078 1.00 42.31 C ATOM 1305 O GLY A 82 14.495 2.501 0.659 1.00 71.52 O ATOM 0 H GLY A 82 12.478 4.996 3.346 1.00 12.12 H new ATOM 0 HA2 GLY A 82 14.405 5.182 2.133 1.00 70.45 H new ATOM 0 HA3 GLY A 82 15.018 3.689 2.815 1.00 70.45 H new ATOM 1309 N ILE A 83 12.678 3.820 0.449 1.00 64.54 N ATOM 1310 CA ILE A 83 12.200 3.195 -0.795 1.00 64.43 C ATOM 1311 C ILE A 83 12.225 4.195 -1.967 1.00 42.53 C ATOM 1312 O ILE A 83 11.835 5.349 -1.811 1.00 52.33 O ATOM 1313 CB ILE A 83 10.758 2.647 -0.608 1.00 41.33 C ATOM 1314 CG1 ILE A 83 10.732 1.594 0.515 1.00 64.14 C ATOM 1315 CG2 ILE A 83 10.217 2.060 -1.912 1.00 5.32 C ATOM 1316 CD1 ILE A 83 9.356 1.028 0.796 1.00 72.33 C ATOM 0 H ILE A 83 12.090 4.584 0.781 1.00 64.54 H new ATOM 0 HA ILE A 83 12.872 2.370 -1.030 1.00 64.43 H new ATOM 0 HB ILE A 83 10.111 3.477 -0.325 1.00 41.33 H new ATOM 0 HG12 ILE A 83 11.402 0.777 0.249 1.00 64.14 H new ATOM 0 HG13 ILE A 83 11.123 2.042 1.429 1.00 64.14 H new ATOM 0 HG21 ILE A 83 9.207 1.684 -1.750 1.00 5.32 H new ATOM 0 HG22 ILE A 83 10.198 2.834 -2.679 1.00 5.32 H new ATOM 0 HG23 ILE A 83 10.860 1.242 -2.237 1.00 5.32 H new ATOM 0 HD11 ILE A 83 9.422 0.294 1.599 1.00 72.33 H new ATOM 0 HD12 ILE A 83 8.685 1.834 1.095 1.00 72.33 H new ATOM 0 HD13 ILE A 83 8.969 0.549 -0.103 1.00 72.33 H new ATOM 1328 N GLU A 84 12.682 3.755 -3.142 1.00 4.22 N ATOM 1329 CA GLU A 84 12.758 4.639 -4.315 1.00 53.44 C ATOM 1330 C GLU A 84 11.363 5.059 -4.807 1.00 51.32 C ATOM 1331 O GLU A 84 10.727 4.345 -5.584 1.00 53.32 O ATOM 1332 CB GLU A 84 13.513 3.957 -5.466 1.00 33.02 C ATOM 1333 CG GLU A 84 14.955 3.584 -5.140 1.00 11.33 C ATOM 1334 CD GLU A 84 15.698 3.000 -6.334 1.00 22.14 C ATOM 1335 OE1 GLU A 84 15.128 2.143 -7.043 1.00 61.52 O ATOM 1336 OE2 GLU A 84 16.864 3.387 -6.563 1.00 53.20 O ATOM 0 H GLU A 84 13.003 2.801 -3.309 1.00 4.22 H new ATOM 0 HA GLU A 84 13.299 5.532 -4.001 1.00 53.44 H new ATOM 0 HB2 GLU A 84 12.973 3.055 -5.754 1.00 33.02 H new ATOM 0 HB3 GLU A 84 13.509 4.621 -6.331 1.00 33.02 H new ATOM 0 HG2 GLU A 84 15.483 4.469 -4.787 1.00 11.33 H new ATOM 0 HG3 GLU A 84 14.963 2.861 -4.324 1.00 11.33 H new ATOM 1343 N VAL A 85 10.877 6.201 -4.330 1.00 20.02 N ATOM 1344 CA VAL A 85 9.620 6.766 -4.829 1.00 5.31 C ATOM 1345 C VAL A 85 9.880 7.705 -6.020 1.00 45.00 C ATOM 1346 O VAL A 85 10.334 8.837 -5.844 1.00 10.13 O ATOM 1347 CB VAL A 85 8.860 7.537 -3.718 1.00 3.21 C ATOM 1348 CG1 VAL A 85 7.506 8.029 -4.230 1.00 34.42 C ATOM 1349 CG2 VAL A 85 8.689 6.666 -2.473 1.00 43.34 C ATOM 0 H VAL A 85 11.329 6.754 -3.602 1.00 20.02 H new ATOM 0 HA VAL A 85 9.000 5.932 -5.156 1.00 5.31 H new ATOM 0 HB VAL A 85 9.454 8.408 -3.441 1.00 3.21 H new ATOM 0 HG11 VAL A 85 6.990 8.567 -3.435 1.00 34.42 H new ATOM 0 HG12 VAL A 85 7.658 8.695 -5.079 1.00 34.42 H new ATOM 0 HG13 VAL A 85 6.903 7.176 -4.542 1.00 34.42 H new ATOM 0 HG21 VAL A 85 8.154 7.227 -1.707 1.00 43.34 H new ATOM 0 HG22 VAL A 85 8.122 5.771 -2.730 1.00 43.34 H new ATOM 0 HG23 VAL A 85 9.669 6.378 -2.093 1.00 43.34 H new ATOM 1359 N SER A 86 9.611 7.225 -7.233 1.00 13.11 N ATOM 1360 CA SER A 86 9.846 8.011 -8.456 1.00 34.04 C ATOM 1361 C SER A 86 8.957 9.263 -8.525 1.00 53.31 C ATOM 1362 O SER A 86 7.930 9.346 -7.848 1.00 40.12 O ATOM 1363 CB SER A 86 9.633 7.147 -9.707 1.00 0.14 C ATOM 1364 OG SER A 86 10.550 6.063 -9.759 1.00 12.31 O ATOM 0 H SER A 86 9.229 6.294 -7.401 1.00 13.11 H new ATOM 0 HA SER A 86 10.883 8.345 -8.421 1.00 34.04 H new ATOM 0 HB2 SER A 86 8.613 6.762 -9.714 1.00 0.14 H new ATOM 0 HB3 SER A 86 9.747 7.763 -10.599 1.00 0.14 H new ATOM 0 HG SER A 86 10.385 5.533 -10.567 1.00 12.31 H new ATOM 1370 N GLU A 87 9.349 10.189 -9.409 1.00 50.21 N ATOM 1371 CA GLU A 87 8.798 11.561 -9.498 1.00 21.54 C ATOM 1372 C GLU A 87 7.288 11.688 -9.181 1.00 13.31 C ATOM 1373 O GLU A 87 6.899 12.426 -8.271 1.00 42.25 O ATOM 1374 CB GLU A 87 9.062 12.100 -10.913 1.00 54.32 C ATOM 1375 CG GLU A 87 8.516 13.500 -11.171 1.00 10.04 C ATOM 1376 CD GLU A 87 8.649 13.910 -12.630 1.00 54.14 C ATOM 1377 OE1 GLU A 87 9.740 14.368 -13.028 1.00 13.34 O ATOM 1378 OE2 GLU A 87 7.668 13.764 -13.387 1.00 13.43 O ATOM 0 H GLU A 87 10.075 10.008 -10.102 1.00 50.21 H new ATOM 0 HA GLU A 87 9.305 12.141 -8.727 1.00 21.54 H new ATOM 0 HB2 GLU A 87 10.137 12.105 -11.091 1.00 54.32 H new ATOM 0 HB3 GLU A 87 8.623 11.414 -11.637 1.00 54.32 H new ATOM 0 HG2 GLU A 87 7.467 13.538 -10.879 1.00 10.04 H new ATOM 0 HG3 GLU A 87 9.047 14.216 -10.544 1.00 10.04 H new ATOM 1385 N ILE A 88 6.444 10.974 -9.921 1.00 31.42 N ATOM 1386 CA ILE A 88 4.980 11.117 -9.776 1.00 50.12 C ATOM 1387 C ILE A 88 4.385 10.105 -8.781 1.00 75.32 C ATOM 1388 O ILE A 88 3.188 9.807 -8.813 1.00 5.01 O ATOM 1389 CB ILE A 88 4.263 11.007 -11.157 1.00 3.23 C ATOM 1390 CG1 ILE A 88 4.767 9.798 -11.978 1.00 72.53 C ATOM 1391 CG2 ILE A 88 4.447 12.300 -11.952 1.00 4.25 C ATOM 1392 CD1 ILE A 88 4.307 8.446 -11.473 1.00 13.53 C ATOM 0 H ILE A 88 6.735 10.294 -10.623 1.00 31.42 H new ATOM 0 HA ILE A 88 4.806 12.113 -9.369 1.00 50.12 H new ATOM 0 HB ILE A 88 3.202 10.850 -10.963 1.00 3.23 H new ATOM 0 HG12 ILE A 88 4.437 9.915 -13.010 1.00 72.53 H new ATOM 0 HG13 ILE A 88 5.857 9.814 -11.989 1.00 72.53 H new ATOM 0 HG21 ILE A 88 3.942 12.211 -12.914 1.00 4.25 H new ATOM 0 HG22 ILE A 88 4.021 13.134 -11.394 1.00 4.25 H new ATOM 0 HG23 ILE A 88 5.510 12.479 -12.115 1.00 4.25 H new ATOM 0 HD11 ILE A 88 4.711 7.662 -12.113 1.00 13.53 H new ATOM 0 HD12 ILE A 88 4.660 8.299 -10.452 1.00 13.53 H new ATOM 0 HD13 ILE A 88 3.218 8.403 -11.490 1.00 13.53 H new ATOM 1404 N GLY A 89 5.224 9.611 -7.877 1.00 74.22 N ATOM 1405 CA GLY A 89 4.797 8.598 -6.925 1.00 54.02 C ATOM 1406 C GLY A 89 4.768 7.202 -7.530 1.00 62.34 C ATOM 1407 O GLY A 89 3.791 6.474 -7.385 1.00 71.45 O ATOM 0 H GLY A 89 6.199 9.896 -7.785 1.00 74.22 H new ATOM 0 HA2 GLY A 89 5.469 8.604 -6.067 1.00 54.02 H new ATOM 0 HA3 GLY A 89 3.804 8.850 -6.553 1.00 54.02 H new ATOM 1411 N LYS A 90 5.841 6.827 -8.222 1.00 42.25 N ATOM 1412 CA LYS A 90 5.930 5.495 -8.848 1.00 44.41 C ATOM 1413 C LYS A 90 6.993 4.622 -8.163 1.00 25.04 C ATOM 1414 O LYS A 90 8.117 5.060 -7.939 1.00 12.32 O ATOM 1415 CB LYS A 90 6.235 5.634 -10.345 1.00 65.03 C ATOM 1416 CG LYS A 90 6.372 4.304 -11.076 1.00 2.32 C ATOM 1417 CD LYS A 90 6.730 4.500 -12.546 1.00 52.04 C ATOM 1418 CE LYS A 90 7.124 3.187 -13.209 1.00 10.20 C ATOM 1419 NZ LYS A 90 8.265 2.544 -12.507 1.00 40.42 N ATOM 0 H LYS A 90 6.660 7.417 -8.367 1.00 42.25 H new ATOM 0 HA LYS A 90 4.966 5.001 -8.726 1.00 44.41 H new ATOM 0 HB2 LYS A 90 5.441 6.215 -10.815 1.00 65.03 H new ATOM 0 HB3 LYS A 90 7.159 6.200 -10.466 1.00 65.03 H new ATOM 0 HG2 LYS A 90 7.140 3.701 -10.592 1.00 2.32 H new ATOM 0 HG3 LYS A 90 5.437 3.750 -11.000 1.00 2.32 H new ATOM 0 HD2 LYS A 90 5.880 4.933 -13.073 1.00 52.04 H new ATOM 0 HD3 LYS A 90 7.552 5.211 -12.629 1.00 52.04 H new ATOM 0 HE2 LYS A 90 6.270 2.510 -13.214 1.00 10.20 H new ATOM 0 HE3 LYS A 90 7.392 3.370 -14.250 1.00 10.20 H new ATOM 0 HZ1 LYS A 90 8.755 1.899 -13.159 1.00 40.42 H new ATOM 0 HZ2 LYS A 90 8.928 3.275 -12.180 1.00 40.42 H new ATOM 0 HZ3 LYS A 90 7.911 2.007 -11.690 1.00 40.42 H new ATOM 1433 N ILE A 91 6.632 3.384 -7.835 1.00 24.44 N ATOM 1434 CA ILE A 91 7.530 2.477 -7.106 1.00 12.21 C ATOM 1435 C ILE A 91 7.897 1.243 -7.947 1.00 60.02 C ATOM 1436 O ILE A 91 7.038 0.639 -8.595 1.00 14.12 O ATOM 1437 CB ILE A 91 6.877 2.011 -5.780 1.00 74.11 C ATOM 1438 CG1 ILE A 91 6.407 3.229 -4.967 1.00 52.31 C ATOM 1439 CG2 ILE A 91 7.851 1.156 -4.965 1.00 44.10 C ATOM 1440 CD1 ILE A 91 5.630 2.879 -3.714 1.00 75.12 C ATOM 0 H ILE A 91 5.723 2.980 -8.061 1.00 24.44 H new ATOM 0 HA ILE A 91 8.441 3.035 -6.891 1.00 12.21 H new ATOM 0 HB ILE A 91 6.010 1.395 -6.017 1.00 74.11 H new ATOM 0 HG12 ILE A 91 7.277 3.822 -4.687 1.00 52.31 H new ATOM 0 HG13 ILE A 91 5.784 3.858 -5.603 1.00 52.31 H new ATOM 0 HG21 ILE A 91 7.371 0.840 -4.039 1.00 44.10 H new ATOM 0 HG22 ILE A 91 8.136 0.277 -5.544 1.00 44.10 H new ATOM 0 HG23 ILE A 91 8.741 1.741 -4.731 1.00 44.10 H new ATOM 0 HD11 ILE A 91 5.336 3.794 -3.200 1.00 75.12 H new ATOM 0 HD12 ILE A 91 4.739 2.313 -3.985 1.00 75.12 H new ATOM 0 HD13 ILE A 91 6.255 2.277 -3.054 1.00 75.12 H new ATOM 1452 N ALA A 92 9.177 0.876 -7.935 1.00 23.03 N ATOM 1453 CA ALA A 92 9.661 -0.292 -8.676 1.00 70.11 C ATOM 1454 C ALA A 92 9.201 -1.603 -8.021 1.00 2.32 C ATOM 1455 O ALA A 92 9.850 -2.117 -7.105 1.00 1.32 O ATOM 1456 CB ALA A 92 11.183 -0.257 -8.786 1.00 0.02 C ATOM 0 H ALA A 92 9.903 1.372 -7.418 1.00 23.03 H new ATOM 0 HA ALA A 92 9.233 -0.253 -9.678 1.00 70.11 H new ATOM 0 HB1 ALA A 92 11.528 -1.131 -9.339 1.00 0.02 H new ATOM 0 HB2 ALA A 92 11.489 0.648 -9.310 1.00 0.02 H new ATOM 0 HB3 ALA A 92 11.620 -0.264 -7.788 1.00 0.02 H new ATOM 1462 N LEU A 93 8.074 -2.138 -8.493 1.00 23.43 N ATOM 1463 CA LEU A 93 7.505 -3.370 -7.934 1.00 74.14 C ATOM 1464 C LEU A 93 8.516 -4.528 -7.920 1.00 61.00 C ATOM 1465 O LEU A 93 8.811 -5.070 -6.864 1.00 55.44 O ATOM 1466 CB LEU A 93 6.229 -3.773 -8.693 1.00 54.20 C ATOM 1467 CG LEU A 93 5.010 -2.865 -8.440 1.00 5.45 C ATOM 1468 CD1 LEU A 93 3.806 -3.322 -9.258 1.00 32.21 C ATOM 1469 CD2 LEU A 93 4.661 -2.833 -6.953 1.00 74.14 C ATOM 0 H LEU A 93 7.535 -1.739 -9.262 1.00 23.43 H new ATOM 0 HA LEU A 93 7.246 -3.159 -6.896 1.00 74.14 H new ATOM 0 HB2 LEU A 93 6.445 -3.777 -9.761 1.00 54.20 H new ATOM 0 HB3 LEU A 93 5.967 -4.794 -8.417 1.00 54.20 H new ATOM 0 HG LEU A 93 5.273 -1.856 -8.757 1.00 5.45 H new ATOM 0 HD11 LEU A 93 2.960 -2.663 -9.060 1.00 32.21 H new ATOM 0 HD12 LEU A 93 4.053 -3.287 -10.319 1.00 32.21 H new ATOM 0 HD13 LEU A 93 3.544 -4.343 -8.980 1.00 32.21 H new ATOM 0 HD21 LEU A 93 3.798 -2.186 -6.796 1.00 74.14 H new ATOM 0 HD22 LEU A 93 4.426 -3.841 -6.613 1.00 74.14 H new ATOM 0 HD23 LEU A 93 5.510 -2.448 -6.388 1.00 74.14 H new ATOM 1481 N ARG A 94 9.074 -4.885 -9.078 1.00 33.45 N ATOM 1482 CA ARG A 94 10.015 -6.019 -9.162 1.00 30.04 C ATOM 1483 C ARG A 94 11.174 -5.900 -8.154 1.00 25.41 C ATOM 1484 O ARG A 94 11.719 -6.908 -7.703 1.00 20.43 O ATOM 1485 CB ARG A 94 10.572 -6.162 -10.588 1.00 62.22 C ATOM 1486 CG ARG A 94 9.576 -6.753 -11.585 1.00 31.43 C ATOM 1487 CD ARG A 94 10.202 -6.941 -12.965 1.00 60.41 C ATOM 1488 NE ARG A 94 9.352 -7.733 -13.851 1.00 70.43 N ATOM 1489 CZ ARG A 94 9.516 -7.829 -15.146 1.00 44.50 C ATOM 1490 NH1 ARG A 94 10.423 -7.136 -15.757 1.00 73.14 N ATOM 1491 NH2 ARG A 94 8.745 -8.603 -15.829 1.00 53.32 N ATOM 0 H ARG A 94 8.897 -4.415 -9.966 1.00 33.45 H new ATOM 0 HA ARG A 94 9.448 -6.914 -8.905 1.00 30.04 H new ATOM 0 HB2 ARG A 94 10.889 -5.182 -10.944 1.00 62.22 H new ATOM 0 HB3 ARG A 94 11.460 -6.793 -10.559 1.00 62.22 H new ATOM 0 HG2 ARG A 94 9.217 -7.713 -11.215 1.00 31.43 H new ATOM 0 HG3 ARG A 94 8.709 -6.097 -11.665 1.00 31.43 H new ATOM 0 HD2 ARG A 94 10.385 -5.965 -13.416 1.00 60.41 H new ATOM 0 HD3 ARG A 94 11.170 -7.430 -12.860 1.00 60.41 H new ATOM 0 HE ARG A 94 8.577 -8.247 -13.431 1.00 70.43 H new ATOM 0 HH11 ARG A 94 11.023 -6.503 -15.229 1.00 73.14 H new ATOM 0 HH12 ARG A 94 10.537 -7.223 -16.767 1.00 73.14 H new ATOM 0 HH21 ARG A 94 8.013 -9.136 -15.360 1.00 53.32 H new ATOM 0 HH22 ARG A 94 8.867 -8.683 -16.839 1.00 53.32 H new ATOM 1505 N LYS A 95 11.536 -4.670 -7.791 1.00 64.24 N ATOM 1506 CA LYS A 95 12.627 -4.434 -6.837 1.00 21.51 C ATOM 1507 C LYS A 95 12.145 -4.519 -5.374 1.00 34.24 C ATOM 1508 O LYS A 95 12.889 -4.952 -4.494 1.00 21.31 O ATOM 1509 CB LYS A 95 13.268 -3.060 -7.093 1.00 14.30 C ATOM 1510 CG LYS A 95 14.414 -2.723 -6.136 1.00 42.43 C ATOM 1511 CD LYS A 95 15.043 -1.365 -6.447 1.00 45.31 C ATOM 1512 CE LYS A 95 15.670 -1.336 -7.837 1.00 53.13 C ATOM 1513 NZ LYS A 95 16.345 -0.044 -8.120 1.00 64.22 N ATOM 0 H LYS A 95 11.093 -3.821 -8.141 1.00 64.24 H new ATOM 0 HA LYS A 95 13.367 -5.219 -6.990 1.00 21.51 H new ATOM 0 HB2 LYS A 95 13.641 -3.029 -8.117 1.00 14.30 H new ATOM 0 HB3 LYS A 95 12.500 -2.291 -7.010 1.00 14.30 H new ATOM 0 HG2 LYS A 95 14.042 -2.724 -5.111 1.00 42.43 H new ATOM 0 HG3 LYS A 95 15.178 -3.498 -6.198 1.00 42.43 H new ATOM 0 HD2 LYS A 95 14.283 -0.587 -6.375 1.00 45.31 H new ATOM 0 HD3 LYS A 95 15.804 -1.137 -5.700 1.00 45.31 H new ATOM 0 HE2 LYS A 95 16.392 -2.148 -7.925 1.00 53.13 H new ATOM 0 HE3 LYS A 95 14.898 -1.513 -8.586 1.00 53.13 H new ATOM 0 HZ1 LYS A 95 16.320 0.144 -9.142 1.00 64.22 H new ATOM 0 HZ2 LYS A 95 15.855 0.722 -7.615 1.00 64.22 H new ATOM 0 HZ3 LYS A 95 17.334 -0.092 -7.801 1.00 64.22 H new ATOM 1527 N TYR A 96 10.902 -4.114 -5.114 1.00 44.01 N ATOM 1528 CA TYR A 96 10.392 -4.032 -3.734 1.00 32.04 C ATOM 1529 C TYR A 96 9.209 -4.970 -3.481 1.00 63.43 C ATOM 1530 O TYR A 96 8.607 -4.933 -2.413 1.00 45.14 O ATOM 1531 CB TYR A 96 9.966 -2.592 -3.418 1.00 73.42 C ATOM 1532 CG TYR A 96 11.110 -1.600 -3.414 1.00 71.44 C ATOM 1533 CD1 TYR A 96 12.037 -1.594 -2.377 1.00 31.04 C ATOM 1534 CD2 TYR A 96 11.256 -0.662 -4.434 1.00 64.11 C ATOM 1535 CE1 TYR A 96 13.074 -0.682 -2.354 1.00 1.33 C ATOM 1536 CE2 TYR A 96 12.292 0.249 -4.418 1.00 54.22 C ATOM 1537 CZ TYR A 96 13.197 0.237 -3.377 1.00 73.42 C ATOM 1538 OH TYR A 96 14.221 1.154 -3.354 1.00 64.23 O ATOM 0 H TYR A 96 10.230 -3.838 -5.830 1.00 44.01 H new ATOM 0 HA TYR A 96 11.206 -4.344 -3.080 1.00 32.04 H new ATOM 0 HB2 TYR A 96 9.225 -2.274 -4.151 1.00 73.42 H new ATOM 0 HB3 TYR A 96 9.479 -2.573 -2.443 1.00 73.42 H new ATOM 0 HD1 TYR A 96 11.944 -2.314 -1.577 1.00 31.04 H new ATOM 0 HD2 TYR A 96 10.548 -0.648 -5.249 1.00 64.11 H new ATOM 0 HE1 TYR A 96 13.784 -0.688 -1.541 1.00 1.33 H new ATOM 0 HE2 TYR A 96 12.394 0.968 -5.217 1.00 54.22 H new ATOM 0 HH TYR A 96 15.003 0.782 -3.813 1.00 64.23 H new ATOM 1548 N LYS A 97 8.882 -5.819 -4.442 1.00 62.55 N ATOM 1549 CA LYS A 97 7.690 -6.656 -4.347 1.00 74.40 C ATOM 1550 C LYS A 97 7.764 -7.639 -3.172 1.00 34.32 C ATOM 1551 O LYS A 97 8.751 -8.364 -3.006 1.00 62.45 O ATOM 1552 CB LYS A 97 7.478 -7.422 -5.652 1.00 3.41 C ATOM 1553 CG LYS A 97 6.134 -8.125 -5.734 1.00 21.33 C ATOM 1554 CD LYS A 97 5.979 -8.874 -7.050 1.00 40.30 C ATOM 1555 CE LYS A 97 4.680 -9.670 -7.100 1.00 31.41 C ATOM 1556 NZ LYS A 97 3.478 -8.803 -6.944 1.00 44.01 N ATOM 0 H LYS A 97 9.423 -5.949 -5.297 1.00 62.55 H new ATOM 0 HA LYS A 97 6.843 -5.993 -4.169 1.00 74.40 H new ATOM 0 HB2 LYS A 97 7.568 -6.729 -6.489 1.00 3.41 H new ATOM 0 HB3 LYS A 97 8.272 -8.160 -5.763 1.00 3.41 H new ATOM 0 HG2 LYS A 97 6.035 -8.823 -4.903 1.00 21.33 H new ATOM 0 HG3 LYS A 97 5.332 -7.394 -5.633 1.00 21.33 H new ATOM 0 HD2 LYS A 97 6.002 -8.164 -7.877 1.00 40.30 H new ATOM 0 HD3 LYS A 97 6.824 -9.549 -7.186 1.00 40.30 H new ATOM 0 HE2 LYS A 97 4.620 -10.203 -8.049 1.00 31.41 H new ATOM 0 HE3 LYS A 97 4.687 -10.422 -6.311 1.00 31.41 H new ATOM 0 HZ1 LYS A 97 2.749 -9.094 -7.627 1.00 44.01 H new ATOM 0 HZ2 LYS A 97 3.105 -8.898 -5.978 1.00 44.01 H new ATOM 0 HZ3 LYS A 97 3.740 -7.812 -7.118 1.00 44.01 H new ATOM 1570 N TRP A 98 6.716 -7.644 -2.357 1.00 32.54 N ATOM 1571 CA TRP A 98 6.586 -8.591 -1.254 1.00 44.10 C ATOM 1572 C TRP A 98 6.344 -10.011 -1.781 1.00 44.22 C ATOM 1573 O TRP A 98 5.339 -10.277 -2.439 1.00 74.23 O ATOM 1574 CB TRP A 98 5.442 -8.153 -0.326 1.00 22.24 C ATOM 1575 CG TRP A 98 5.023 -9.191 0.676 1.00 41.11 C ATOM 1576 CD1 TRP A 98 5.832 -9.963 1.460 1.00 42.54 C ATOM 1577 CD2 TRP A 98 3.678 -9.558 1.008 1.00 23.23 C ATOM 1578 NE1 TRP A 98 5.074 -10.788 2.252 1.00 12.44 N ATOM 1579 CE2 TRP A 98 3.749 -10.557 1.995 1.00 43.11 C ATOM 1580 CE3 TRP A 98 2.422 -9.138 0.564 1.00 53.02 C ATOM 1581 CZ2 TRP A 98 2.613 -11.142 2.546 1.00 70.11 C ATOM 1582 CZ3 TRP A 98 1.294 -9.716 1.112 1.00 20.24 C ATOM 1583 CH2 TRP A 98 1.396 -10.711 2.095 1.00 11.53 C ATOM 0 H TRP A 98 5.934 -6.994 -2.441 1.00 32.54 H new ATOM 0 HA TRP A 98 7.517 -8.600 -0.687 1.00 44.10 H new ATOM 0 HB2 TRP A 98 5.748 -7.253 0.208 1.00 22.24 H new ATOM 0 HB3 TRP A 98 4.579 -7.885 -0.935 1.00 22.24 H new ATOM 0 HD1 TRP A 98 6.911 -9.929 1.457 1.00 42.54 H new ATOM 0 HE1 TRP A 98 5.438 -11.464 2.923 1.00 12.44 H new ATOM 0 HE3 TRP A 98 2.335 -8.374 -0.195 1.00 53.02 H new ATOM 0 HZ2 TRP A 98 2.690 -11.909 3.303 1.00 70.11 H new ATOM 0 HZ3 TRP A 98 0.318 -9.397 0.778 1.00 20.24 H new ATOM 0 HH2 TRP A 98 0.496 -11.145 2.504 1.00 11.53 H new ATOM 1594 N GLN A 99 7.281 -10.915 -1.503 1.00 45.33 N ATOM 1595 CA GLN A 99 7.163 -12.311 -1.928 1.00 22.42 C ATOM 1596 C GLN A 99 7.029 -13.251 -0.718 1.00 63.20 C ATOM 1597 O GLN A 99 8.032 -13.670 -0.134 1.00 43.31 O ATOM 1598 CB GLN A 99 8.379 -12.716 -2.779 1.00 71.30 C ATOM 1599 CG GLN A 99 8.554 -11.875 -4.041 1.00 52.32 C ATOM 1600 CD GLN A 99 9.780 -12.268 -4.852 1.00 30.54 C ATOM 1601 OE1 GLN A 99 10.201 -13.419 -4.853 1.00 50.13 O ATOM 1602 NE2 GLN A 99 10.365 -11.313 -5.547 1.00 71.45 N ATOM 0 H GLN A 99 8.134 -10.706 -0.984 1.00 45.33 H new ATOM 0 HA GLN A 99 6.260 -12.402 -2.532 1.00 22.42 H new ATOM 0 HB2 GLN A 99 9.280 -12.634 -2.171 1.00 71.30 H new ATOM 0 HB3 GLN A 99 8.280 -13.764 -3.062 1.00 71.30 H new ATOM 0 HG2 GLN A 99 7.665 -11.976 -4.664 1.00 52.32 H new ATOM 0 HG3 GLN A 99 8.631 -10.824 -3.763 1.00 52.32 H new ATOM 0 HE21 GLN A 99 9.991 -10.364 -5.526 1.00 71.45 H new ATOM 0 HE22 GLN A 99 11.192 -11.523 -6.106 1.00 71.45 H new ATOM 1611 N PRO A 100 5.785 -13.555 -0.293 1.00 13.25 N ATOM 1612 CA PRO A 100 5.531 -14.534 0.782 1.00 55.22 C ATOM 1613 C PRO A 100 5.939 -15.959 0.373 1.00 4.51 C ATOM 1614 O PRO A 100 6.369 -16.763 1.206 1.00 23.51 O ATOM 1615 CB PRO A 100 4.011 -14.445 0.996 1.00 72.35 C ATOM 1616 CG PRO A 100 3.476 -13.895 -0.287 1.00 3.20 C ATOM 1617 CD PRO A 100 4.536 -12.962 -0.805 1.00 73.42 C ATOM 0 HA PRO A 100 6.110 -14.318 1.680 1.00 55.22 H new ATOM 0 HB2 PRO A 100 3.584 -15.424 1.215 1.00 72.35 H new ATOM 0 HB3 PRO A 100 3.767 -13.796 1.837 1.00 72.35 H new ATOM 0 HG2 PRO A 100 3.275 -14.693 -1.001 1.00 3.20 H new ATOM 0 HG3 PRO A 100 2.536 -13.368 -0.125 1.00 3.20 H new ATOM 0 HD2 PRO A 100 4.531 -12.911 -1.894 1.00 73.42 H new ATOM 0 HD3 PRO A 100 4.393 -11.946 -0.438 1.00 73.42 H new ATOM 1625 N LEU A 101 5.794 -16.258 -0.919 1.00 60.44 N ATOM 1626 CA LEU A 101 6.202 -17.552 -1.471 1.00 22.22 C ATOM 1627 C LEU A 101 7.725 -17.607 -1.653 1.00 45.23 C ATOM 1628 O LEU A 101 8.299 -16.826 -2.416 1.00 52.35 O ATOM 1629 CB LEU A 101 5.504 -17.805 -2.817 1.00 43.40 C ATOM 1630 CG LEU A 101 3.965 -17.777 -2.775 1.00 22.25 C ATOM 1631 CD1 LEU A 101 3.383 -18.045 -4.162 1.00 32.52 C ATOM 1632 CD2 LEU A 101 3.435 -18.789 -1.758 1.00 75.53 C ATOM 0 H LEU A 101 5.395 -15.618 -1.606 1.00 60.44 H new ATOM 0 HA LEU A 101 5.906 -18.330 -0.768 1.00 22.22 H new ATOM 0 HB2 LEU A 101 5.845 -17.056 -3.531 1.00 43.40 H new ATOM 0 HB3 LEU A 101 5.823 -18.776 -3.196 1.00 43.40 H new ATOM 0 HG LEU A 101 3.649 -16.782 -2.461 1.00 22.25 H new ATOM 0 HD11 LEU A 101 2.294 -18.021 -4.111 1.00 32.52 H new ATOM 0 HD12 LEU A 101 3.731 -17.280 -4.856 1.00 32.52 H new ATOM 0 HD13 LEU A 101 3.708 -19.025 -4.510 1.00 32.52 H new ATOM 0 HD21 LEU A 101 2.346 -18.754 -1.743 1.00 75.53 H new ATOM 0 HD22 LEU A 101 3.762 -19.791 -2.037 1.00 75.53 H new ATOM 0 HD23 LEU A 101 3.819 -18.545 -0.768 1.00 75.53 H new ATOM 1644 N GLU A 102 8.371 -18.529 -0.953 1.00 65.23 N ATOM 1645 CA GLU A 102 9.838 -18.643 -0.973 1.00 40.44 C ATOM 1646 C GLU A 102 10.325 -19.723 -1.969 1.00 44.11 C ATOM 1647 O GLU A 102 10.075 -20.928 -1.737 1.00 38.24 O ATOM 1648 CB GLU A 102 10.352 -18.911 0.453 1.00 31.10 C ATOM 1649 CG GLU A 102 9.660 -20.072 1.165 1.00 25.41 C ATOM 1650 CD GLU A 102 9.956 -20.102 2.654 1.00 4.33 C ATOM 1651 OE1 GLU A 102 10.988 -20.679 3.055 1.00 11.10 O ATOM 1652 OE2 GLU A 102 9.159 -19.532 3.430 1.00 74.35 O ATOM 0 H GLU A 102 7.907 -19.216 -0.359 1.00 65.23 H new ATOM 0 HA GLU A 102 10.252 -17.698 -1.326 1.00 40.44 H new ATOM 0 HB2 GLU A 102 11.422 -19.114 0.408 1.00 31.10 H new ATOM 0 HB3 GLU A 102 10.224 -18.007 1.048 1.00 31.10 H new ATOM 0 HG2 GLU A 102 8.583 -19.997 1.014 1.00 25.41 H new ATOM 0 HG3 GLU A 102 9.980 -21.012 0.715 1.00 25.41 H new TER 1659 GLU A 102