USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 819 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 3 GLN : amide:sc= -0.0829 X(o=-0.083,f=-0.023) USER MOD Single : A 7 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.1) USER MOD Single : A 13 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=-0.061) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -121:sc= 1.07 (180deg=-0.651) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.08) USER MOD Single : A 21 SER OG : rot -46:sc= -1.12 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.812 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -138:sc= -1.62 (180deg=-5.06!) 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 HD1:sc= -0.117 X(o=-0.12,f=-0.0036) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.098) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0372 (180deg=-0.311) USER MOD Single : A 59 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.4) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.7) USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= 2.45 (180deg=1.65) USER MOD Single : A 65 SER OG : rot -20:sc= 0.27 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.808 K(o=-0.81,f=-1.6) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.537 K(o=-0.54,f=-4.3!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0461 USER MOD Single : A 90 LYS NZ :NH3+ -165:sc= -0.0156 (180deg=-0.184) USER MOD Single : A 95 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.16) USER MOD Single : A 96 TYR OH : rot 150:sc= 0.805 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -1.2 F(o=-3.3!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -10.083 -7.808 15.975 1.00 30.31 N ATOM 21 CA ASP A 2 -10.507 -8.977 15.195 1.00 73.12 C ATOM 22 C ASP A 2 -9.361 -9.574 14.356 1.00 64.35 C ATOM 23 O ASP A 2 -8.452 -8.865 13.913 1.00 71.44 O ATOM 24 CB ASP A 2 -11.686 -8.600 14.291 1.00 40.25 C ATOM 25 CG ASP A 2 -12.966 -8.369 15.077 1.00 62.44 C ATOM 26 OD1 ASP A 2 -13.072 -7.336 15.770 1.00 4.13 O ATOM 27 OD2 ASP A 2 -13.873 -9.230 15.019 1.00 72.31 O ATOM 0 HA ASP A 2 -10.816 -9.746 15.903 1.00 73.12 H new ATOM 0 HB2 ASP A 2 -11.438 -7.698 13.732 1.00 40.25 H new ATOM 0 HB3 ASP A 2 -11.849 -9.393 13.561 1.00 40.25 H new ATOM 32 N GLN A 3 -9.439 -10.883 14.120 1.00 74.11 N ATOM 33 CA GLN A 3 -8.367 -11.634 13.454 1.00 43.30 C ATOM 34 C GLN A 3 -8.066 -11.098 12.047 1.00 44.25 C ATOM 35 O GLN A 3 -6.901 -10.943 11.681 1.00 24.21 O ATOM 36 CB GLN A 3 -8.731 -13.122 13.387 1.00 31.44 C ATOM 37 CG GLN A 3 -8.951 -13.762 14.756 1.00 4.35 C ATOM 38 CD GLN A 3 -7.696 -13.763 15.616 1.00 14.53 C ATOM 39 OE1 GLN A 3 -6.908 -14.704 15.584 1.00 61.52 O ATOM 40 NE2 GLN A 3 -7.497 -12.714 16.393 1.00 34.20 N ATOM 0 H GLN A 3 -10.242 -11.454 14.383 1.00 74.11 H new ATOM 0 HA GLN A 3 -7.462 -11.505 14.048 1.00 43.30 H new ATOM 0 HB2 GLN A 3 -9.636 -13.239 12.791 1.00 31.44 H new ATOM 0 HB3 GLN A 3 -7.936 -13.658 12.868 1.00 31.44 H new ATOM 0 HG2 GLN A 3 -9.744 -13.227 15.279 1.00 4.35 H new ATOM 0 HG3 GLN A 3 -9.294 -14.788 14.621 1.00 4.35 H new ATOM 0 HE21 GLN A 3 -8.170 -11.948 16.397 1.00 34.20 H new ATOM 0 HE22 GLN A 3 -6.670 -12.670 16.989 1.00 34.20 H new ATOM 49 N PHE A 4 -9.114 -10.816 11.267 1.00 75.34 N ATOM 50 CA PHE A 4 -8.957 -10.253 9.914 1.00 32.02 C ATOM 51 C PHE A 4 -7.993 -9.055 9.914 1.00 70.22 C ATOM 52 O PHE A 4 -7.065 -8.986 9.102 1.00 73.31 O ATOM 53 CB PHE A 4 -10.324 -9.827 9.351 1.00 10.51 C ATOM 54 CG PHE A 4 -10.264 -9.242 7.960 1.00 30.43 C ATOM 55 CD1 PHE A 4 -10.153 -10.067 6.848 1.00 53.42 C ATOM 56 CD2 PHE A 4 -10.320 -7.868 7.762 1.00 52.12 C ATOM 57 CE1 PHE A 4 -10.099 -9.535 5.574 1.00 35.52 C ATOM 58 CE2 PHE A 4 -10.265 -7.333 6.490 1.00 32.43 C ATOM 59 CZ PHE A 4 -10.156 -8.168 5.396 1.00 55.14 C ATOM 0 H PHE A 4 -10.083 -10.967 11.546 1.00 75.34 H new ATOM 0 HA PHE A 4 -8.533 -11.030 9.278 1.00 32.02 H new ATOM 0 HB2 PHE A 4 -10.986 -10.693 9.341 1.00 10.51 H new ATOM 0 HB3 PHE A 4 -10.769 -9.093 10.023 1.00 10.51 H new ATOM 0 HD1 PHE A 4 -10.108 -11.138 6.981 1.00 53.42 H new ATOM 0 HD2 PHE A 4 -10.408 -7.210 8.614 1.00 52.12 H new ATOM 0 HE1 PHE A 4 -10.012 -10.188 4.718 1.00 35.52 H new ATOM 0 HE2 PHE A 4 -10.307 -6.263 6.351 1.00 32.43 H new ATOM 0 HZ PHE A 4 -10.115 -7.751 4.401 1.00 55.14 H new ATOM 69 N LEU A 5 -8.215 -8.122 10.838 1.00 72.51 N ATOM 70 CA LEU A 5 -7.345 -6.952 10.985 1.00 35.12 C ATOM 71 C LEU A 5 -5.919 -7.372 11.364 1.00 33.31 C ATOM 72 O LEU A 5 -4.944 -6.862 10.817 1.00 42.45 O ATOM 73 CB LEU A 5 -7.915 -5.996 12.042 1.00 41.21 C ATOM 74 CG LEU A 5 -9.320 -5.448 11.737 1.00 75.45 C ATOM 75 CD1 LEU A 5 -9.812 -4.558 12.876 1.00 35.43 C ATOM 76 CD2 LEU A 5 -9.329 -4.688 10.410 1.00 73.41 C ATOM 0 H LEU A 5 -8.992 -8.152 11.499 1.00 72.51 H new ATOM 0 HA LEU A 5 -7.304 -6.436 10.026 1.00 35.12 H new ATOM 0 HB2 LEU A 5 -7.944 -6.515 13.000 1.00 41.21 H new ATOM 0 HB3 LEU A 5 -7.231 -5.155 12.156 1.00 41.21 H new ATOM 0 HG LEU A 5 -10.003 -6.293 11.648 1.00 75.45 H new ATOM 0 HD11 LEU A 5 -10.807 -4.181 12.640 1.00 35.43 H new ATOM 0 HD12 LEU A 5 -9.853 -5.137 13.799 1.00 35.43 H new ATOM 0 HD13 LEU A 5 -9.128 -3.719 13.004 1.00 35.43 H new ATOM 0 HD21 LEU A 5 -10.332 -4.309 10.214 1.00 73.41 H new ATOM 0 HD22 LEU A 5 -8.630 -3.853 10.464 1.00 73.41 H new ATOM 0 HD23 LEU A 5 -9.031 -5.359 9.604 1.00 73.41 H new ATOM 88 N VAL A 6 -5.810 -8.316 12.296 1.00 71.15 N ATOM 89 CA VAL A 6 -4.506 -8.838 12.727 1.00 15.22 C ATOM 90 C VAL A 6 -3.724 -9.444 11.548 1.00 5.40 C ATOM 91 O VAL A 6 -2.513 -9.245 11.425 1.00 44.43 O ATOM 92 CB VAL A 6 -4.672 -9.914 13.834 1.00 51.43 C ATOM 93 CG1 VAL A 6 -3.317 -10.458 14.286 1.00 1.32 C ATOM 94 CG2 VAL A 6 -5.454 -9.354 15.022 1.00 23.12 C ATOM 0 H VAL A 6 -6.608 -8.739 12.771 1.00 71.15 H new ATOM 0 HA VAL A 6 -3.945 -7.994 13.127 1.00 15.22 H new ATOM 0 HB VAL A 6 -5.239 -10.742 13.410 1.00 51.43 H new ATOM 0 HG11 VAL A 6 -3.467 -11.209 15.061 1.00 1.32 H new ATOM 0 HG12 VAL A 6 -2.805 -10.910 13.437 1.00 1.32 H new ATOM 0 HG13 VAL A 6 -2.712 -9.643 14.683 1.00 1.32 H new ATOM 0 HG21 VAL A 6 -5.558 -10.125 15.785 1.00 23.12 H new ATOM 0 HG22 VAL A 6 -4.920 -8.500 15.439 1.00 23.12 H new ATOM 0 HG23 VAL A 6 -6.442 -9.037 14.690 1.00 23.12 H new ATOM 104 N GLN A 7 -4.427 -10.166 10.677 1.00 12.30 N ATOM 105 CA GLN A 7 -3.794 -10.838 9.536 1.00 3.55 C ATOM 106 C GLN A 7 -3.215 -9.828 8.533 1.00 61.23 C ATOM 107 O GLN A 7 -2.003 -9.787 8.312 1.00 50.55 O ATOM 108 CB GLN A 7 -4.798 -11.758 8.821 1.00 70.53 C ATOM 109 CG GLN A 7 -5.413 -12.830 9.716 1.00 22.51 C ATOM 110 CD GLN A 7 -4.374 -13.652 10.457 1.00 41.14 C ATOM 111 OE1 GLN A 7 -3.891 -14.662 9.961 1.00 0.05 O ATOM 112 NE2 GLN A 7 -4.027 -13.228 11.657 1.00 64.32 N ATOM 0 H GLN A 7 -5.436 -10.303 10.737 1.00 12.30 H new ATOM 0 HA GLN A 7 -2.974 -11.438 9.931 1.00 3.55 H new ATOM 0 HB2 GLN A 7 -5.598 -11.148 8.402 1.00 70.53 H new ATOM 0 HB3 GLN A 7 -4.296 -12.244 7.984 1.00 70.53 H new ATOM 0 HG2 GLN A 7 -6.076 -12.355 10.439 1.00 22.51 H new ATOM 0 HG3 GLN A 7 -6.028 -13.494 9.108 1.00 22.51 H new ATOM 0 HE21 GLN A 7 -4.449 -12.382 12.041 1.00 64.32 H new ATOM 0 HE22 GLN A 7 -3.337 -13.746 12.201 1.00 64.32 H new ATOM 121 N ILE A 8 -4.083 -9.010 7.937 1.00 11.04 N ATOM 122 CA ILE A 8 -3.655 -8.033 6.927 1.00 55.31 C ATOM 123 C ILE A 8 -2.565 -7.085 7.466 1.00 22.31 C ATOM 124 O ILE A 8 -1.602 -6.775 6.763 1.00 74.31 O ATOM 125 CB ILE A 8 -4.853 -7.209 6.380 1.00 23.54 C ATOM 126 CG1 ILE A 8 -5.597 -6.493 7.522 1.00 14.42 C ATOM 127 CG2 ILE A 8 -5.807 -8.109 5.596 1.00 72.51 C ATOM 128 CD1 ILE A 8 -6.769 -5.648 7.059 1.00 0.01 C ATOM 0 H ILE A 8 -5.084 -9.002 8.133 1.00 11.04 H new ATOM 0 HA ILE A 8 -3.229 -8.609 6.106 1.00 55.31 H new ATOM 0 HB ILE A 8 -4.462 -6.448 5.705 1.00 23.54 H new ATOM 0 HG12 ILE A 8 -5.957 -7.238 8.231 1.00 14.42 H new ATOM 0 HG13 ILE A 8 -4.893 -5.857 8.058 1.00 14.42 H new ATOM 0 HG21 ILE A 8 -6.640 -7.516 5.220 1.00 72.51 H new ATOM 0 HG22 ILE A 8 -5.276 -8.560 4.758 1.00 72.51 H new ATOM 0 HG23 ILE A 8 -6.186 -8.894 6.250 1.00 72.51 H new ATOM 0 HD11 ILE A 8 -7.241 -5.177 7.921 1.00 0.01 H new ATOM 0 HD12 ILE A 8 -6.414 -4.878 6.374 1.00 0.01 H new ATOM 0 HD13 ILE A 8 -7.495 -6.281 6.549 1.00 0.01 H new ATOM 140 N PHE A 9 -2.704 -6.647 8.718 1.00 41.43 N ATOM 141 CA PHE A 9 -1.696 -5.786 9.349 1.00 21.32 C ATOM 142 C PHE A 9 -0.355 -6.522 9.505 1.00 33.04 C ATOM 143 O PHE A 9 0.710 -5.952 9.261 1.00 5.11 O ATOM 144 CB PHE A 9 -2.192 -5.281 10.715 1.00 72.41 C ATOM 145 CG PHE A 9 -3.310 -4.258 10.643 1.00 51.23 C ATOM 146 CD1 PHE A 9 -4.023 -4.052 9.466 1.00 51.21 C ATOM 147 CD2 PHE A 9 -3.645 -3.501 11.758 1.00 75.35 C ATOM 148 CE1 PHE A 9 -5.039 -3.118 9.406 1.00 41.14 C ATOM 149 CE2 PHE A 9 -4.661 -2.564 11.700 1.00 24.04 C ATOM 150 CZ PHE A 9 -5.359 -2.372 10.523 1.00 62.34 C ATOM 0 H PHE A 9 -3.500 -6.872 9.315 1.00 41.43 H new ATOM 0 HA PHE A 9 -1.537 -4.927 8.697 1.00 21.32 H new ATOM 0 HB2 PHE A 9 -2.535 -6.134 11.300 1.00 72.41 H new ATOM 0 HB3 PHE A 9 -1.351 -4.843 11.253 1.00 72.41 H new ATOM 0 HD1 PHE A 9 -3.779 -4.630 8.587 1.00 51.21 H new ATOM 0 HD2 PHE A 9 -3.105 -3.646 12.682 1.00 75.35 H new ATOM 0 HE1 PHE A 9 -5.583 -2.971 8.485 1.00 41.14 H new ATOM 0 HE2 PHE A 9 -4.909 -1.982 12.575 1.00 24.04 H new ATOM 0 HZ PHE A 9 -6.152 -1.641 10.477 1.00 62.34 H new ATOM 160 N ALA A 10 -0.413 -7.798 9.897 1.00 50.01 N ATOM 161 CA ALA A 10 0.795 -8.623 10.033 1.00 61.43 C ATOM 162 C ALA A 10 1.520 -8.780 8.688 1.00 73.23 C ATOM 163 O ALA A 10 2.750 -8.841 8.634 1.00 43.41 O ATOM 164 CB ALA A 10 0.445 -9.990 10.614 1.00 34.12 C ATOM 0 H ALA A 10 -1.281 -8.283 10.126 1.00 50.01 H new ATOM 0 HA ALA A 10 1.472 -8.113 10.719 1.00 61.43 H new ATOM 0 HB1 ALA A 10 1.351 -10.588 10.708 1.00 34.12 H new ATOM 0 HB2 ALA A 10 -0.009 -9.862 11.597 1.00 34.12 H new ATOM 0 HB3 ALA A 10 -0.258 -10.497 9.953 1.00 34.12 H new ATOM 170 N VAL A 11 0.749 -8.846 7.603 1.00 23.04 N ATOM 171 CA VAL A 11 1.318 -8.933 6.254 1.00 64.40 C ATOM 172 C VAL A 11 2.015 -7.619 5.860 1.00 30.40 C ATOM 173 O VAL A 11 3.065 -7.630 5.218 1.00 52.44 O ATOM 174 CB VAL A 11 0.229 -9.282 5.205 1.00 74.03 C ATOM 175 CG1 VAL A 11 0.832 -9.394 3.804 1.00 21.40 C ATOM 176 CG2 VAL A 11 -0.493 -10.575 5.587 1.00 22.25 C ATOM 0 H VAL A 11 -0.271 -8.841 7.629 1.00 23.04 H new ATOM 0 HA VAL A 11 2.058 -9.733 6.268 1.00 64.40 H new ATOM 0 HB VAL A 11 -0.500 -8.472 5.194 1.00 74.03 H new ATOM 0 HG11 VAL A 11 0.047 -9.639 3.089 1.00 21.40 H new ATOM 0 HG12 VAL A 11 1.290 -8.444 3.528 1.00 21.40 H new ATOM 0 HG13 VAL A 11 1.589 -10.178 3.795 1.00 21.40 H new ATOM 0 HG21 VAL A 11 -1.253 -10.802 4.839 1.00 22.25 H new ATOM 0 HG22 VAL A 11 0.226 -11.393 5.634 1.00 22.25 H new ATOM 0 HG23 VAL A 11 -0.968 -10.453 6.561 1.00 22.25 H new ATOM 186 N ILE A 12 1.434 -6.488 6.264 1.00 31.14 N ATOM 187 CA ILE A 12 2.024 -5.168 5.994 1.00 30.24 C ATOM 188 C ILE A 12 3.385 -5.005 6.695 1.00 44.32 C ATOM 189 O ILE A 12 4.310 -4.393 6.155 1.00 63.02 O ATOM 190 CB ILE A 12 1.069 -4.023 6.429 1.00 50.43 C ATOM 191 CG1 ILE A 12 -0.259 -4.131 5.661 1.00 3.12 C ATOM 192 CG2 ILE A 12 1.718 -2.653 6.205 1.00 63.25 C ATOM 193 CD1 ILE A 12 -1.293 -3.107 6.071 1.00 34.33 C ATOM 0 H ILE A 12 0.555 -6.456 6.780 1.00 31.14 H new ATOM 0 HA ILE A 12 2.179 -5.104 4.917 1.00 30.24 H new ATOM 0 HB ILE A 12 0.868 -4.123 7.496 1.00 50.43 H new ATOM 0 HG12 ILE A 12 -0.060 -4.024 4.595 1.00 3.12 H new ATOM 0 HG13 ILE A 12 -0.672 -5.129 5.809 1.00 3.12 H new ATOM 0 HG21 ILE A 12 1.029 -1.868 6.517 1.00 63.25 H new ATOM 0 HG22 ILE A 12 2.635 -2.585 6.790 1.00 63.25 H new ATOM 0 HG23 ILE A 12 1.952 -2.530 5.148 1.00 63.25 H new ATOM 0 HD11 ILE A 12 -2.200 -3.250 5.483 1.00 34.33 H new ATOM 0 HD12 ILE A 12 -1.524 -3.227 7.130 1.00 34.33 H new ATOM 0 HD13 ILE A 12 -0.902 -2.105 5.896 1.00 34.33 H new ATOM 205 N HIS A 13 3.515 -5.567 7.895 1.00 60.41 N ATOM 206 CA HIS A 13 4.797 -5.560 8.614 1.00 65.31 C ATOM 207 C HIS A 13 5.838 -6.474 7.938 1.00 71.11 C ATOM 208 O HIS A 13 7.017 -6.464 8.300 1.00 53.10 O ATOM 209 CB HIS A 13 4.604 -5.963 10.082 1.00 72.43 C ATOM 210 CG HIS A 13 3.819 -4.965 10.880 1.00 50.14 C ATOM 211 ND1 HIS A 13 4.248 -3.666 11.028 1.00 34.25 N ATOM 212 CD2 HIS A 13 2.651 -5.122 11.548 1.00 53.44 C ATOM 213 CE1 HIS A 13 3.339 -3.069 11.777 1.00 10.53 C ATOM 214 NE2 HIS A 13 2.355 -3.910 12.117 1.00 24.52 N ATOM 0 H HIS A 13 2.755 -6.032 8.392 1.00 60.41 H new ATOM 0 HA HIS A 13 5.180 -4.540 8.580 1.00 65.31 H new ATOM 0 HB2 HIS A 13 4.097 -6.927 10.122 1.00 72.43 H new ATOM 0 HB3 HIS A 13 5.582 -6.098 10.545 1.00 72.43 H new ATOM 0 HD2 HIS A 13 2.066 -6.027 11.619 1.00 53.44 H new ATOM 0 HE1 HIS A 13 3.384 -2.033 12.077 1.00 10.53 H new ATOM 0 HE2 HIS A 13 1.540 -3.691 12.690 1.00 24.52 H new ATOM 222 N GLN A 14 5.399 -7.271 6.960 1.00 73.23 N ATOM 223 CA GLN A 14 6.309 -8.131 6.188 1.00 42.20 C ATOM 224 C GLN A 14 6.858 -7.409 4.945 1.00 31.25 C ATOM 225 O GLN A 14 7.693 -7.957 4.222 1.00 54.15 O ATOM 226 CB GLN A 14 5.593 -9.421 5.758 1.00 64.53 C ATOM 227 CG GLN A 14 5.095 -10.268 6.924 1.00 64.52 C ATOM 228 CD GLN A 14 4.419 -11.560 6.482 1.00 42.40 C ATOM 229 OE1 GLN A 14 3.785 -11.548 5.325 1.00 71.21 O flip ATOM 230 NE2 GLN A 14 4.464 -12.563 7.186 1.00 2.23 N flip ATOM 0 H GLN A 14 4.420 -7.341 6.682 1.00 73.23 H new ATOM 0 HA GLN A 14 7.149 -8.378 6.837 1.00 42.20 H new ATOM 0 HB2 GLN A 14 4.746 -9.161 5.123 1.00 64.53 H new ATOM 0 HB3 GLN A 14 6.274 -10.019 5.152 1.00 64.53 H new ATOM 0 HG2 GLN A 14 5.936 -10.510 7.574 1.00 64.52 H new ATOM 0 HG3 GLN A 14 4.392 -9.682 7.516 1.00 64.52 H new ATOM 0 HE21 GLN A 14 4.963 -12.540 8.076 1.00 2.23 H new ATOM 0 HE22 GLN A 14 4.003 -13.421 6.882 1.00 2.23 H new ATOM 239 N ILE A 15 6.384 -6.186 4.700 1.00 53.42 N ATOM 240 CA ILE A 15 6.829 -5.401 3.538 1.00 44.13 C ATOM 241 C ILE A 15 8.225 -4.796 3.779 1.00 51.44 C ATOM 242 O ILE A 15 8.440 -4.099 4.776 1.00 10.24 O ATOM 243 CB ILE A 15 5.845 -4.245 3.213 1.00 23.20 C ATOM 244 CG1 ILE A 15 4.403 -4.762 3.065 1.00 3.43 C ATOM 245 CG2 ILE A 15 6.279 -3.507 1.945 1.00 44.13 C ATOM 246 CD1 ILE A 15 4.208 -5.734 1.921 1.00 22.41 C ATOM 0 H ILE A 15 5.694 -5.716 5.286 1.00 53.42 H new ATOM 0 HA ILE A 15 6.863 -6.091 2.695 1.00 44.13 H new ATOM 0 HB ILE A 15 5.868 -3.546 4.049 1.00 23.20 H new ATOM 0 HG12 ILE A 15 4.106 -5.247 3.994 1.00 3.43 H new ATOM 0 HG13 ILE A 15 3.737 -3.911 2.922 1.00 3.43 H new ATOM 0 HG21 ILE A 15 5.576 -2.701 1.735 1.00 44.13 H new ATOM 0 HG22 ILE A 15 7.276 -3.091 2.089 1.00 44.13 H new ATOM 0 HG23 ILE A 15 6.294 -4.203 1.106 1.00 44.13 H new ATOM 0 HD11 ILE A 15 3.165 -6.050 1.886 1.00 22.41 H new ATOM 0 HD12 ILE A 15 4.472 -5.248 0.982 1.00 22.41 H new ATOM 0 HD13 ILE A 15 4.846 -6.605 2.071 1.00 22.41 H new ATOM 258 N PRO A 16 9.195 -5.057 2.877 1.00 34.24 N ATOM 259 CA PRO A 16 10.543 -4.464 2.956 1.00 60.52 C ATOM 260 C PRO A 16 10.553 -2.947 2.682 1.00 63.42 C ATOM 261 O PRO A 16 9.636 -2.401 2.059 1.00 3.32 O ATOM 262 CB PRO A 16 11.339 -5.216 1.867 1.00 53.01 C ATOM 263 CG PRO A 16 10.500 -6.399 1.515 1.00 62.41 C ATOM 264 CD PRO A 16 9.079 -5.965 1.729 1.00 3.11 C ATOM 0 HA PRO A 16 10.962 -4.566 3.957 1.00 60.52 H new ATOM 0 HB2 PRO A 16 11.511 -4.582 0.997 1.00 53.01 H new ATOM 0 HB3 PRO A 16 12.318 -5.523 2.236 1.00 53.01 H new ATOM 0 HG2 PRO A 16 10.665 -6.703 0.481 1.00 62.41 H new ATOM 0 HG3 PRO A 16 10.747 -7.255 2.143 1.00 62.41 H new ATOM 0 HD2 PRO A 16 8.672 -5.461 0.852 1.00 3.11 H new ATOM 0 HD3 PRO A 16 8.424 -6.810 1.944 1.00 3.11 H new ATOM 272 N LYS A 17 11.604 -2.276 3.147 1.00 31.01 N ATOM 273 CA LYS A 17 11.747 -0.829 2.972 1.00 54.42 C ATOM 274 C LYS A 17 11.907 -0.468 1.482 1.00 43.22 C ATOM 275 O LYS A 17 12.820 -0.950 0.806 1.00 35.21 O ATOM 276 CB LYS A 17 12.948 -0.332 3.807 1.00 42.45 C ATOM 277 CG LYS A 17 13.191 1.180 3.770 1.00 73.34 C ATOM 278 CD LYS A 17 14.018 1.606 2.561 1.00 11.34 C ATOM 279 CE LYS A 17 14.279 3.109 2.550 1.00 33.53 C ATOM 280 NZ LYS A 17 15.124 3.517 1.396 1.00 63.41 N ATOM 0 H LYS A 17 12.375 -2.713 3.652 1.00 31.01 H new ATOM 0 HA LYS A 17 10.844 -0.331 3.325 1.00 54.42 H new ATOM 0 HB2 LYS A 17 12.798 -0.634 4.844 1.00 42.45 H new ATOM 0 HB3 LYS A 17 13.848 -0.837 3.455 1.00 42.45 H new ATOM 0 HG2 LYS A 17 12.233 1.699 3.753 1.00 73.34 H new ATOM 0 HG3 LYS A 17 13.702 1.486 4.683 1.00 73.34 H new ATOM 0 HD2 LYS A 17 14.969 1.073 2.566 1.00 11.34 H new ATOM 0 HD3 LYS A 17 13.497 1.321 1.647 1.00 11.34 H new ATOM 0 HE2 LYS A 17 13.329 3.642 2.511 1.00 33.53 H new ATOM 0 HE3 LYS A 17 14.769 3.399 3.479 1.00 33.53 H new ATOM 0 HZ1 LYS A 17 15.990 3.976 1.745 1.00 63.41 H new ATOM 0 HZ2 LYS A 17 15.378 2.677 0.838 1.00 63.41 H new ATOM 0 HZ3 LYS A 17 14.596 4.183 0.797 1.00 63.41 H new ATOM 294 N GLY A 18 11.008 0.377 0.976 1.00 42.13 N ATOM 295 CA GLY A 18 11.081 0.816 -0.418 1.00 10.33 C ATOM 296 C GLY A 18 10.238 -0.020 -1.384 1.00 31.31 C ATOM 297 O GLY A 18 10.195 0.267 -2.579 1.00 15.10 O ATOM 0 H GLY A 18 10.228 0.768 1.504 1.00 42.13 H new ATOM 0 HA2 GLY A 18 10.758 1.855 -0.477 1.00 10.33 H new ATOM 0 HA3 GLY A 18 12.121 0.787 -0.742 1.00 10.33 H new ATOM 301 N LYS A 19 9.563 -1.049 -0.873 1.00 24.11 N ATOM 302 CA LYS A 19 8.722 -1.914 -1.712 1.00 23.12 C ATOM 303 C LYS A 19 7.228 -1.610 -1.513 1.00 33.15 C ATOM 304 O LYS A 19 6.779 -1.348 -0.395 1.00 23.31 O ATOM 305 CB LYS A 19 9.005 -3.391 -1.398 1.00 64.21 C ATOM 306 CG LYS A 19 10.443 -3.815 -1.680 1.00 31.20 C ATOM 307 CD LYS A 19 10.818 -3.600 -3.145 1.00 15.04 C ATOM 308 CE LYS A 19 12.280 -3.933 -3.413 1.00 64.40 C ATOM 309 NZ LYS A 19 12.588 -5.360 -3.135 1.00 31.45 N ATOM 0 H LYS A 19 9.579 -1.307 0.114 1.00 24.11 H new ATOM 0 HA LYS A 19 8.970 -1.712 -2.754 1.00 23.12 H new ATOM 0 HB2 LYS A 19 8.780 -3.579 -0.348 1.00 64.21 H new ATOM 0 HB3 LYS A 19 8.330 -4.014 -1.986 1.00 64.21 H new ATOM 0 HG2 LYS A 19 11.121 -3.247 -1.043 1.00 31.20 H new ATOM 0 HG3 LYS A 19 10.570 -4.867 -1.422 1.00 31.20 H new ATOM 0 HD2 LYS A 19 10.183 -4.221 -3.777 1.00 15.04 H new ATOM 0 HD3 LYS A 19 10.626 -2.563 -3.420 1.00 15.04 H new ATOM 0 HE2 LYS A 19 12.518 -3.707 -4.452 1.00 64.40 H new ATOM 0 HE3 LYS A 19 12.915 -3.298 -2.795 1.00 64.40 H new ATOM 0 HZ1 LYS A 19 13.553 -5.576 -3.457 1.00 31.45 H new ATOM 0 HZ2 LYS A 19 12.516 -5.538 -2.113 1.00 31.45 H new ATOM 0 HZ3 LYS A 19 11.911 -5.966 -3.640 1.00 31.45 H new ATOM 323 N VAL A 20 6.464 -1.646 -2.606 1.00 21.44 N ATOM 324 CA VAL A 20 5.016 -1.408 -2.550 1.00 74.34 C ATOM 325 C VAL A 20 4.219 -2.702 -2.783 1.00 71.20 C ATOM 326 O VAL A 20 4.715 -3.661 -3.378 1.00 13.30 O ATOM 327 CB VAL A 20 4.564 -0.344 -3.586 1.00 10.22 C ATOM 328 CG1 VAL A 20 5.231 1.002 -3.312 1.00 23.41 C ATOM 329 CG2 VAL A 20 4.850 -0.810 -5.014 1.00 52.43 C ATOM 0 H VAL A 20 6.821 -1.837 -3.542 1.00 21.44 H new ATOM 0 HA VAL A 20 4.809 -1.035 -1.547 1.00 74.34 H new ATOM 0 HB VAL A 20 3.486 -0.216 -3.483 1.00 10.22 H new ATOM 0 HG11 VAL A 20 4.898 1.730 -4.051 1.00 23.41 H new ATOM 0 HG12 VAL A 20 4.958 1.347 -2.315 1.00 23.41 H new ATOM 0 HG13 VAL A 20 6.314 0.891 -3.374 1.00 23.41 H new ATOM 0 HG21 VAL A 20 4.523 -0.045 -5.719 1.00 52.43 H new ATOM 0 HG22 VAL A 20 5.920 -0.980 -5.134 1.00 52.43 H new ATOM 0 HG23 VAL A 20 4.311 -1.737 -5.209 1.00 52.43 H new ATOM 339 N SER A 21 2.977 -2.709 -2.317 1.00 52.42 N ATOM 340 CA SER A 21 2.083 -3.867 -2.472 1.00 51.52 C ATOM 341 C SER A 21 0.676 -3.422 -2.897 1.00 60.50 C ATOM 342 O SER A 21 0.400 -2.227 -3.008 1.00 24.51 O ATOM 343 CB SER A 21 2.006 -4.657 -1.160 1.00 10.30 C ATOM 344 OG SER A 21 1.534 -3.843 -0.097 1.00 24.41 O ATOM 0 H SER A 21 2.556 -1.922 -1.823 1.00 52.42 H new ATOM 0 HA SER A 21 2.492 -4.508 -3.253 1.00 51.52 H new ATOM 0 HB2 SER A 21 1.344 -5.514 -1.287 1.00 10.30 H new ATOM 0 HB3 SER A 21 2.992 -5.050 -0.911 1.00 10.30 H new ATOM 0 HG SER A 21 2.005 -2.984 -0.109 1.00 24.41 H new ATOM 350 N THR A 22 -0.215 -4.384 -3.135 1.00 4.31 N ATOM 351 CA THR A 22 -1.588 -4.076 -3.576 1.00 52.12 C ATOM 352 C THR A 22 -2.645 -4.660 -2.620 1.00 75.21 C ATOM 353 O THR A 22 -2.428 -5.701 -1.999 1.00 31.43 O ATOM 354 CB THR A 22 -1.842 -4.582 -5.021 1.00 1.01 C ATOM 355 OG1 THR A 22 -1.512 -5.973 -5.133 1.00 0.24 O ATOM 356 CG2 THR A 22 -1.017 -3.788 -6.033 1.00 63.21 C ATOM 0 H THR A 22 -0.019 -5.380 -3.033 1.00 4.31 H new ATOM 0 HA THR A 22 -1.684 -2.990 -3.563 1.00 52.12 H new ATOM 0 HB THR A 22 -2.901 -4.441 -5.237 1.00 1.01 H new ATOM 0 HG1 THR A 22 -1.679 -6.276 -6.050 1.00 0.24 H new ATOM 0 HG21 THR A 22 -1.214 -4.163 -7.037 1.00 63.21 H new ATOM 0 HG22 THR A 22 -1.291 -2.734 -5.979 1.00 63.21 H new ATOM 0 HG23 THR A 22 0.043 -3.899 -5.806 1.00 63.21 H new ATOM 364 N TYR A 23 -3.794 -3.974 -2.508 1.00 72.41 N ATOM 365 CA TYR A 23 -4.845 -4.332 -1.531 1.00 2.20 C ATOM 366 C TYR A 23 -5.240 -5.821 -1.587 1.00 20.43 C ATOM 367 O TYR A 23 -5.074 -6.551 -0.606 1.00 54.41 O ATOM 368 CB TYR A 23 -6.096 -3.460 -1.740 1.00 62.24 C ATOM 369 CG TYR A 23 -5.863 -1.969 -1.536 1.00 35.02 C ATOM 370 CD1 TYR A 23 -5.318 -1.484 -0.351 1.00 4.10 C ATOM 371 CD2 TYR A 23 -6.186 -1.047 -2.531 1.00 34.31 C ATOM 372 CE1 TYR A 23 -5.103 -0.131 -0.163 1.00 32.30 C ATOM 373 CE2 TYR A 23 -5.972 0.308 -2.347 1.00 61.42 C ATOM 374 CZ TYR A 23 -5.430 0.760 -1.163 1.00 1.25 C ATOM 375 OH TYR A 23 -5.214 2.109 -0.978 1.00 52.14 O ATOM 0 H TYR A 23 -4.023 -3.164 -3.084 1.00 72.41 H new ATOM 0 HA TYR A 23 -4.420 -4.146 -0.545 1.00 2.20 H new ATOM 0 HB2 TYR A 23 -6.473 -3.622 -2.750 1.00 62.24 H new ATOM 0 HB3 TYR A 23 -6.874 -3.791 -1.053 1.00 62.24 H new ATOM 0 HD1 TYR A 23 -5.058 -2.177 0.436 1.00 4.10 H new ATOM 0 HD2 TYR A 23 -6.610 -1.396 -3.461 1.00 34.31 H new ATOM 0 HE1 TYR A 23 -4.680 0.227 0.764 1.00 32.30 H new ATOM 0 HE2 TYR A 23 -6.229 1.008 -3.128 1.00 61.42 H new ATOM 0 HH TYR A 23 -5.497 2.598 -1.778 1.00 52.14 H new ATOM 385 N GLY A 24 -5.770 -6.265 -2.730 1.00 0.20 N ATOM 386 CA GLY A 24 -6.188 -7.661 -2.867 1.00 24.22 C ATOM 387 C GLY A 24 -5.048 -8.650 -2.633 1.00 51.11 C ATOM 388 O GLY A 24 -5.267 -9.771 -2.172 1.00 62.22 O ATOM 0 H GLY A 24 -5.918 -5.690 -3.559 1.00 0.20 H new ATOM 0 HA2 GLY A 24 -6.991 -7.866 -2.158 1.00 24.22 H new ATOM 0 HA3 GLY A 24 -6.597 -7.816 -3.865 1.00 24.22 H new ATOM 392 N GLU A 25 -3.830 -8.217 -2.942 1.00 42.34 N ATOM 393 CA GLU A 25 -2.623 -9.028 -2.753 1.00 44.54 C ATOM 394 C GLU A 25 -2.320 -9.251 -1.261 1.00 2.21 C ATOM 395 O GLU A 25 -2.044 -10.374 -0.833 1.00 53.34 O ATOM 396 CB GLU A 25 -1.458 -8.323 -3.443 1.00 35.21 C ATOM 397 CG GLU A 25 -0.099 -8.990 -3.302 1.00 44.03 C ATOM 398 CD GLU A 25 0.971 -8.201 -4.034 1.00 44.43 C ATOM 399 OE1 GLU A 25 1.207 -7.032 -3.658 1.00 12.42 O ATOM 400 OE2 GLU A 25 1.548 -8.723 -5.013 1.00 30.11 O ATOM 0 H GLU A 25 -3.647 -7.292 -3.332 1.00 42.34 H new ATOM 0 HA GLU A 25 -2.778 -10.013 -3.193 1.00 44.54 H new ATOM 0 HB2 GLU A 25 -1.689 -8.235 -4.505 1.00 35.21 H new ATOM 0 HB3 GLU A 25 -1.386 -7.310 -3.048 1.00 35.21 H new ATOM 0 HG2 GLU A 25 0.162 -9.072 -2.247 1.00 44.03 H new ATOM 0 HG3 GLU A 25 -0.144 -10.004 -3.699 1.00 44.03 H new ATOM 407 N ILE A 26 -2.371 -8.173 -0.472 1.00 14.30 N ATOM 408 CA ILE A 26 -2.202 -8.268 0.986 1.00 32.11 C ATOM 409 C ILE A 26 -3.240 -9.224 1.591 1.00 41.23 C ATOM 410 O ILE A 26 -2.901 -10.126 2.361 1.00 1.41 O ATOM 411 CB ILE A 26 -2.331 -6.875 1.660 1.00 31.51 C ATOM 412 CG1 ILE A 26 -1.218 -5.931 1.172 1.00 53.22 C ATOM 413 CG2 ILE A 26 -2.300 -6.997 3.185 1.00 25.02 C ATOM 414 CD1 ILE A 26 0.184 -6.398 1.515 1.00 3.04 C ATOM 0 H ILE A 26 -2.527 -7.225 -0.815 1.00 14.30 H new ATOM 0 HA ILE A 26 -1.201 -8.656 1.173 1.00 32.11 H new ATOM 0 HB ILE A 26 -3.294 -6.452 1.374 1.00 31.51 H new ATOM 0 HG12 ILE A 26 -1.298 -5.820 0.091 1.00 53.22 H new ATOM 0 HG13 ILE A 26 -1.377 -4.944 1.606 1.00 53.22 H new ATOM 0 HG21 ILE A 26 -2.392 -6.007 3.631 1.00 25.02 H new ATOM 0 HG22 ILE A 26 -3.128 -7.623 3.517 1.00 25.02 H new ATOM 0 HG23 ILE A 26 -1.357 -7.448 3.495 1.00 25.02 H new ATOM 0 HD11 ILE A 26 0.910 -5.678 1.137 1.00 3.04 H new ATOM 0 HD12 ILE A 26 0.285 -6.481 2.597 1.00 3.04 H new ATOM 0 HD13 ILE A 26 0.365 -7.371 1.058 1.00 3.04 H new ATOM 426 N ALA A 27 -4.504 -9.025 1.222 1.00 11.55 N ATOM 427 CA ALA A 27 -5.591 -9.904 1.657 1.00 54.20 C ATOM 428 C ALA A 27 -5.337 -11.361 1.227 1.00 4.43 C ATOM 429 O ALA A 27 -5.533 -12.294 2.006 1.00 32.54 O ATOM 430 CB ALA A 27 -6.915 -9.399 1.095 1.00 32.42 C ATOM 0 H ALA A 27 -4.803 -8.258 0.619 1.00 11.55 H new ATOM 0 HA ALA A 27 -5.636 -9.888 2.746 1.00 54.20 H new ATOM 0 HB1 ALA A 27 -7.722 -10.055 1.420 1.00 32.42 H new ATOM 0 HB2 ALA A 27 -7.101 -8.388 1.456 1.00 32.42 H new ATOM 0 HB3 ALA A 27 -6.869 -9.393 0.006 1.00 32.42 H new ATOM 436 N LYS A 28 -4.880 -11.537 -0.013 1.00 42.30 N ATOM 437 CA LYS A 28 -4.537 -12.859 -0.554 1.00 33.43 C ATOM 438 C LYS A 28 -3.531 -13.592 0.355 1.00 34.11 C ATOM 439 O LYS A 28 -3.751 -14.738 0.753 1.00 61.35 O ATOM 440 CB LYS A 28 -3.954 -12.692 -1.965 1.00 25.11 C ATOM 441 CG LYS A 28 -3.584 -13.997 -2.663 1.00 31.02 C ATOM 442 CD LYS A 28 -2.931 -13.731 -4.019 1.00 64.02 C ATOM 443 CE LYS A 28 -2.585 -15.021 -4.753 1.00 42.42 C ATOM 444 NZ LYS A 28 -1.868 -14.752 -6.027 1.00 63.33 N ATOM 0 H LYS A 28 -4.736 -10.772 -0.672 1.00 42.30 H new ATOM 0 HA LYS A 28 -5.443 -13.464 -0.599 1.00 33.43 H new ATOM 0 HB2 LYS A 28 -4.678 -12.159 -2.581 1.00 25.11 H new ATOM 0 HB3 LYS A 28 -3.065 -12.064 -1.904 1.00 25.11 H new ATOM 0 HG2 LYS A 28 -2.902 -14.569 -2.034 1.00 31.02 H new ATOM 0 HG3 LYS A 28 -4.478 -14.606 -2.800 1.00 31.02 H new ATOM 0 HD2 LYS A 28 -3.604 -13.134 -4.634 1.00 64.02 H new ATOM 0 HD3 LYS A 28 -2.025 -13.142 -3.875 1.00 64.02 H new ATOM 0 HE2 LYS A 28 -1.966 -15.650 -4.113 1.00 42.42 H new ATOM 0 HE3 LYS A 28 -3.499 -15.578 -4.960 1.00 42.42 H new ATOM 0 HZ1 LYS A 28 -1.649 -15.653 -6.499 1.00 63.33 H new ATOM 0 HZ2 LYS A 28 -2.469 -14.173 -6.648 1.00 63.33 H new ATOM 0 HZ3 LYS A 28 -0.984 -14.242 -5.827 1.00 63.33 H new ATOM 458 N MET A 29 -2.436 -12.913 0.694 1.00 45.12 N ATOM 459 CA MET A 29 -1.413 -13.484 1.583 1.00 44.24 C ATOM 460 C MET A 29 -1.920 -13.610 3.032 1.00 12.24 C ATOM 461 O MET A 29 -1.404 -14.411 3.811 1.00 4.20 O ATOM 462 CB MET A 29 -0.140 -12.633 1.542 1.00 3.31 C ATOM 463 CG MET A 29 0.616 -12.730 0.221 1.00 10.20 C ATOM 464 SD MET A 29 2.013 -11.594 0.134 1.00 33.32 S ATOM 465 CE MET A 29 1.156 -10.021 0.091 1.00 12.34 C ATOM 0 H MET A 29 -2.230 -11.968 0.370 1.00 45.12 H new ATOM 0 HA MET A 29 -1.187 -14.488 1.223 1.00 44.24 H new ATOM 0 HB2 MET A 29 -0.403 -11.591 1.725 1.00 3.31 H new ATOM 0 HB3 MET A 29 0.520 -12.942 2.352 1.00 3.31 H new ATOM 0 HG2 MET A 29 0.974 -13.751 0.086 1.00 10.20 H new ATOM 0 HG3 MET A 29 -0.069 -12.521 -0.601 1.00 10.20 H new ATOM 0 HE1 MET A 29 1.633 -9.367 -0.639 1.00 12.34 H new ATOM 0 HE2 MET A 29 0.115 -10.181 -0.191 1.00 12.34 H new ATOM 0 HE3 MET A 29 1.197 -9.557 1.076 1.00 12.34 H new ATOM 475 N ALA A 30 -2.924 -12.812 3.387 1.00 60.34 N ATOM 476 CA ALA A 30 -3.544 -12.888 4.717 1.00 43.02 C ATOM 477 C ALA A 30 -4.537 -14.060 4.818 1.00 72.11 C ATOM 478 O ALA A 30 -5.081 -14.340 5.889 1.00 73.03 O ATOM 479 CB ALA A 30 -4.240 -11.571 5.043 1.00 3.40 C ATOM 0 H ALA A 30 -3.329 -12.103 2.775 1.00 60.34 H new ATOM 0 HA ALA A 30 -2.753 -13.067 5.445 1.00 43.02 H new ATOM 0 HB1 ALA A 30 -4.697 -11.636 6.030 1.00 3.40 H new ATOM 0 HB2 ALA A 30 -3.510 -10.762 5.033 1.00 3.40 H new ATOM 0 HB3 ALA A 30 -5.011 -11.373 4.299 1.00 3.40 H new ATOM 485 N GLY A 31 -4.773 -14.740 3.696 1.00 1.34 N ATOM 486 CA GLY A 31 -5.686 -15.882 3.677 1.00 32.14 C ATOM 487 C GLY A 31 -7.119 -15.509 3.309 1.00 12.11 C ATOM 488 O GLY A 31 -8.035 -16.325 3.439 1.00 2.42 O ATOM 0 H GLY A 31 -4.348 -14.522 2.795 1.00 1.34 H new ATOM 0 HA2 GLY A 31 -5.317 -16.620 2.965 1.00 32.14 H new ATOM 0 HA3 GLY A 31 -5.683 -16.356 4.659 1.00 32.14 H new ATOM 492 N TYR A 32 -7.318 -14.272 2.859 1.00 4.53 N ATOM 493 CA TYR A 32 -8.644 -13.792 2.445 1.00 70.15 C ATOM 494 C TYR A 32 -8.573 -13.109 1.067 1.00 24.30 C ATOM 495 O TYR A 32 -8.595 -11.882 0.969 1.00 15.13 O ATOM 496 CB TYR A 32 -9.209 -12.813 3.489 1.00 41.35 C ATOM 497 CG TYR A 32 -9.321 -13.401 4.884 1.00 3.01 C ATOM 498 CD1 TYR A 32 -10.420 -14.171 5.248 1.00 24.41 C ATOM 499 CD2 TYR A 32 -8.324 -13.193 5.832 1.00 54.20 C ATOM 500 CE1 TYR A 32 -10.523 -14.713 6.514 1.00 5.42 C ATOM 501 CE2 TYR A 32 -8.420 -13.734 7.099 1.00 22.34 C ATOM 502 CZ TYR A 32 -9.520 -14.493 7.434 1.00 74.42 C ATOM 503 OH TYR A 32 -9.619 -15.033 8.697 1.00 25.32 O ATOM 0 H TYR A 32 -6.577 -13.577 2.770 1.00 4.53 H new ATOM 0 HA TYR A 32 -9.308 -14.653 2.371 1.00 70.15 H new ATOM 0 HB2 TYR A 32 -8.571 -11.930 3.527 1.00 41.35 H new ATOM 0 HB3 TYR A 32 -10.195 -12.480 3.165 1.00 41.35 H new ATOM 0 HD1 TYR A 32 -11.206 -14.348 4.529 1.00 24.41 H new ATOM 0 HD2 TYR A 32 -7.460 -12.598 5.573 1.00 54.20 H new ATOM 0 HE1 TYR A 32 -11.385 -15.306 6.782 1.00 5.42 H new ATOM 0 HE2 TYR A 32 -7.637 -13.563 7.823 1.00 22.34 H new ATOM 0 HH TYR A 32 -8.829 -14.785 9.222 1.00 25.32 H new ATOM 513 N PRO A 33 -8.480 -13.899 -0.017 1.00 12.03 N ATOM 514 CA PRO A 33 -8.321 -13.359 -1.379 1.00 31.33 C ATOM 515 C PRO A 33 -9.565 -12.601 -1.881 1.00 21.23 C ATOM 516 O PRO A 33 -10.700 -12.951 -1.552 1.00 31.30 O ATOM 517 CB PRO A 33 -8.071 -14.613 -2.228 1.00 34.33 C ATOM 518 CG PRO A 33 -8.711 -15.723 -1.463 1.00 54.11 C ATOM 519 CD PRO A 33 -8.529 -15.376 -0.009 1.00 55.24 C ATOM 0 HA PRO A 33 -7.519 -12.622 -1.427 1.00 31.33 H new ATOM 0 HB2 PRO A 33 -8.509 -14.513 -3.221 1.00 34.33 H new ATOM 0 HB3 PRO A 33 -7.005 -14.791 -2.367 1.00 34.33 H new ATOM 0 HG2 PRO A 33 -9.768 -15.813 -1.714 1.00 54.11 H new ATOM 0 HG3 PRO A 33 -8.245 -16.680 -1.698 1.00 54.11 H new ATOM 0 HD2 PRO A 33 -9.353 -15.748 0.600 1.00 55.24 H new ATOM 0 HD3 PRO A 33 -7.613 -15.807 0.396 1.00 55.24 H new ATOM 527 N GLY A 34 -9.341 -11.554 -2.676 1.00 64.43 N ATOM 528 CA GLY A 34 -10.447 -10.784 -3.248 1.00 0.44 C ATOM 529 C GLY A 34 -10.945 -9.645 -2.358 1.00 51.32 C ATOM 530 O GLY A 34 -11.696 -8.785 -2.817 1.00 61.42 O ATOM 0 H GLY A 34 -8.413 -11.222 -2.937 1.00 64.43 H new ATOM 0 HA2 GLY A 34 -10.130 -10.370 -4.205 1.00 0.44 H new ATOM 0 HA3 GLY A 34 -11.277 -11.460 -3.453 1.00 0.44 H new ATOM 534 N TYR A 35 -10.523 -9.627 -1.094 1.00 23.03 N ATOM 535 CA TYR A 35 -10.955 -8.591 -0.137 1.00 31.35 C ATOM 536 C TYR A 35 -10.192 -7.260 -0.322 1.00 11.44 C ATOM 537 O TYR A 35 -9.758 -6.641 0.651 1.00 41.10 O ATOM 538 CB TYR A 35 -10.778 -9.107 1.301 1.00 54.13 C ATOM 539 CG TYR A 35 -11.827 -10.120 1.731 1.00 11.32 C ATOM 540 CD1 TYR A 35 -11.874 -11.393 1.172 1.00 64.14 C ATOM 541 CD2 TYR A 35 -12.770 -9.800 2.703 1.00 64.14 C ATOM 542 CE1 TYR A 35 -12.827 -12.314 1.568 1.00 1.23 C ATOM 543 CE2 TYR A 35 -13.725 -10.715 3.103 1.00 43.13 C ATOM 544 CZ TYR A 35 -13.751 -11.969 2.533 1.00 33.32 C ATOM 545 OH TYR A 35 -14.706 -12.878 2.934 1.00 22.34 O ATOM 0 H TYR A 35 -9.881 -10.316 -0.702 1.00 23.03 H new ATOM 0 HA TYR A 35 -12.008 -8.385 -0.331 1.00 31.35 H new ATOM 0 HB2 TYR A 35 -9.791 -9.560 1.394 1.00 54.13 H new ATOM 0 HB3 TYR A 35 -10.805 -8.259 1.986 1.00 54.13 H new ATOM 0 HD1 TYR A 35 -11.154 -11.667 0.415 1.00 64.14 H new ATOM 0 HD2 TYR A 35 -12.755 -8.818 3.153 1.00 64.14 H new ATOM 0 HE1 TYR A 35 -12.848 -13.298 1.124 1.00 1.23 H new ATOM 0 HE2 TYR A 35 -14.448 -10.448 3.859 1.00 43.13 H new ATOM 0 HH TYR A 35 -15.275 -12.473 3.621 1.00 22.34 H new ATOM 555 N ALA A 36 -10.077 -6.801 -1.567 1.00 32.40 N ATOM 556 CA ALA A 36 -9.342 -5.567 -1.879 1.00 34.15 C ATOM 557 C ALA A 36 -9.956 -4.333 -1.195 1.00 32.14 C ATOM 558 O ALA A 36 -9.247 -3.536 -0.574 1.00 35.43 O ATOM 559 CB ALA A 36 -9.287 -5.359 -3.388 1.00 22.42 C ATOM 0 H ALA A 36 -10.483 -7.263 -2.381 1.00 32.40 H new ATOM 0 HA ALA A 36 -8.331 -5.683 -1.489 1.00 34.15 H new ATOM 0 HB1 ALA A 36 -8.740 -4.442 -3.609 1.00 22.42 H new ATOM 0 HB2 ALA A 36 -8.781 -6.205 -3.854 1.00 22.42 H new ATOM 0 HB3 ALA A 36 -10.300 -5.281 -3.782 1.00 22.42 H new ATOM 565 N ARG A 37 -11.274 -4.187 -1.307 1.00 53.20 N ATOM 566 CA ARG A 37 -11.982 -3.044 -0.720 1.00 33.41 C ATOM 567 C ARG A 37 -11.845 -3.018 0.811 1.00 60.23 C ATOM 568 O ARG A 37 -11.670 -1.956 1.401 1.00 42.13 O ATOM 569 CB ARG A 37 -13.468 -3.073 -1.123 1.00 41.24 C ATOM 570 CG ARG A 37 -14.346 -2.056 -0.389 1.00 22.43 C ATOM 571 CD ARG A 37 -13.874 -0.615 -0.585 1.00 64.23 C ATOM 572 NE ARG A 37 -13.900 -0.200 -1.985 1.00 34.42 N ATOM 573 CZ ARG A 37 -14.031 1.036 -2.382 1.00 1.45 C ATOM 574 NH1 ARG A 37 -14.194 1.999 -1.528 1.00 20.02 N ATOM 575 NH2 ARG A 37 -14.008 1.310 -3.644 1.00 54.35 N ATOM 0 H ARG A 37 -11.878 -4.846 -1.799 1.00 53.20 H new ATOM 0 HA ARG A 37 -11.524 -2.135 -1.109 1.00 33.41 H new ATOM 0 HB2 ARG A 37 -13.544 -2.892 -2.195 1.00 41.24 H new ATOM 0 HB3 ARG A 37 -13.861 -4.073 -0.940 1.00 41.24 H new ATOM 0 HG2 ARG A 37 -15.373 -2.148 -0.742 1.00 22.43 H new ATOM 0 HG3 ARG A 37 -14.352 -2.290 0.676 1.00 22.43 H new ATOM 0 HD2 ARG A 37 -14.506 0.053 -0.000 1.00 64.23 H new ATOM 0 HD3 ARG A 37 -12.860 -0.513 -0.199 1.00 64.23 H new ATOM 0 HE ARG A 37 -13.810 -0.923 -2.699 1.00 34.42 H new ATOM 0 HH11 ARG A 37 -14.221 1.795 -0.529 1.00 20.02 H new ATOM 0 HH12 ARG A 37 -14.295 2.960 -1.856 1.00 20.02 H new ATOM 0 HH21 ARG A 37 -13.888 0.561 -4.326 1.00 54.35 H new ATOM 0 HH22 ARG A 37 -14.110 2.275 -3.958 1.00 54.35 H new ATOM 589 N HIS A 38 -11.920 -4.184 1.445 1.00 64.10 N ATOM 590 CA HIS A 38 -11.832 -4.267 2.910 1.00 23.11 C ATOM 591 C HIS A 38 -10.459 -3.793 3.422 1.00 30.52 C ATOM 592 O HIS A 38 -10.371 -3.097 4.435 1.00 71.32 O ATOM 593 CB HIS A 38 -12.118 -5.697 3.384 1.00 5.20 C ATOM 594 CG HIS A 38 -13.498 -6.172 3.035 1.00 55.02 C ATOM 595 ND1 HIS A 38 -14.494 -6.253 3.979 1.00 53.44 N ATOM 596 CD2 HIS A 38 -13.995 -6.568 1.839 1.00 22.41 C ATOM 597 CE1 HIS A 38 -15.563 -6.691 3.338 1.00 42.14 C ATOM 598 NE2 HIS A 38 -15.312 -6.892 2.040 1.00 34.33 N ATOM 0 H HIS A 38 -12.041 -5.082 0.977 1.00 64.10 H new ATOM 0 HA HIS A 38 -12.588 -3.601 3.326 1.00 23.11 H new ATOM 0 HB2 HIS A 38 -11.386 -6.372 2.942 1.00 5.20 H new ATOM 0 HB3 HIS A 38 -11.986 -5.748 4.465 1.00 5.20 H new ATOM 0 HD2 HIS A 38 -13.456 -6.619 0.904 1.00 22.41 H new ATOM 0 HE1 HIS A 38 -16.521 -6.865 3.805 1.00 42.14 H new ATOM 0 HE2 HIS A 38 -15.972 -7.222 1.336 1.00 34.33 H new ATOM 606 N VAL A 39 -9.395 -4.164 2.708 1.00 31.22 N ATOM 607 CA VAL A 39 -8.038 -3.718 3.055 1.00 22.25 C ATOM 608 C VAL A 39 -7.899 -2.193 2.898 1.00 74.42 C ATOM 609 O VAL A 39 -7.476 -1.499 3.825 1.00 73.42 O ATOM 610 CB VAL A 39 -6.967 -4.426 2.183 1.00 74.33 C ATOM 611 CG1 VAL A 39 -5.558 -3.957 2.551 1.00 71.32 C ATOM 612 CG2 VAL A 39 -7.080 -5.945 2.315 1.00 33.11 C ATOM 0 H VAL A 39 -9.442 -4.770 1.889 1.00 31.22 H new ATOM 0 HA VAL A 39 -7.872 -3.986 4.098 1.00 22.25 H new ATOM 0 HB VAL A 39 -7.151 -4.156 1.143 1.00 74.33 H new ATOM 0 HG11 VAL A 39 -4.829 -4.470 1.924 1.00 71.32 H new ATOM 0 HG12 VAL A 39 -5.480 -2.881 2.393 1.00 71.32 H new ATOM 0 HG13 VAL A 39 -5.360 -4.185 3.598 1.00 71.32 H new ATOM 0 HG21 VAL A 39 -6.320 -6.422 1.696 1.00 33.11 H new ATOM 0 HG22 VAL A 39 -6.932 -6.232 3.356 1.00 33.11 H new ATOM 0 HG23 VAL A 39 -8.069 -6.266 1.987 1.00 33.11 H new ATOM 622 N GLY A 40 -8.270 -1.677 1.724 1.00 4.11 N ATOM 623 CA GLY A 40 -8.224 -0.233 1.483 1.00 61.14 C ATOM 624 C GLY A 40 -9.141 0.555 2.417 1.00 60.23 C ATOM 625 O GLY A 40 -8.837 1.684 2.800 1.00 23.33 O ATOM 0 H GLY A 40 -8.602 -2.230 0.934 1.00 4.11 H new ATOM 0 HA2 GLY A 40 -7.200 0.118 1.606 1.00 61.14 H new ATOM 0 HA3 GLY A 40 -8.508 -0.033 0.450 1.00 61.14 H new ATOM 629 N LYS A 41 -10.265 -0.052 2.776 1.00 5.21 N ATOM 630 CA LYS A 41 -11.213 0.534 3.725 1.00 42.35 C ATOM 631 C LYS A 41 -10.572 0.707 5.111 1.00 74.05 C ATOM 632 O LYS A 41 -10.647 1.780 5.714 1.00 43.13 O ATOM 633 CB LYS A 41 -12.450 -0.369 3.813 1.00 34.41 C ATOM 634 CG LYS A 41 -13.534 0.106 4.773 1.00 50.23 C ATOM 635 CD LYS A 41 -14.696 -0.882 4.802 1.00 73.15 C ATOM 636 CE LYS A 41 -15.809 -0.451 5.746 1.00 0.12 C ATOM 637 NZ LYS A 41 -16.915 -1.443 5.762 1.00 43.31 N ATOM 0 H LYS A 41 -10.548 -0.965 2.419 1.00 5.21 H new ATOM 0 HA LYS A 41 -11.505 1.524 3.374 1.00 42.35 H new ATOM 0 HB2 LYS A 41 -12.884 -0.461 2.817 1.00 34.41 H new ATOM 0 HB3 LYS A 41 -12.131 -1.366 4.115 1.00 34.41 H new ATOM 0 HG2 LYS A 41 -13.118 0.216 5.774 1.00 50.23 H new ATOM 0 HG3 LYS A 41 -13.893 1.089 4.467 1.00 50.23 H new ATOM 0 HD2 LYS A 41 -15.100 -0.991 3.796 1.00 73.15 H new ATOM 0 HD3 LYS A 41 -14.327 -1.862 5.105 1.00 73.15 H new ATOM 0 HE2 LYS A 41 -15.409 -0.332 6.753 1.00 0.12 H new ATOM 0 HE3 LYS A 41 -16.194 0.521 5.439 1.00 0.12 H new ATOM 0 HZ1 LYS A 41 -17.659 -1.123 6.414 1.00 43.31 H new ATOM 0 HZ2 LYS A 41 -17.310 -1.537 4.805 1.00 43.31 H new ATOM 0 HZ3 LYS A 41 -16.551 -2.364 6.078 1.00 43.31 H new ATOM 651 N ALA A 42 -9.934 -0.356 5.599 1.00 32.42 N ATOM 652 CA ALA A 42 -9.254 -0.332 6.899 1.00 2.44 C ATOM 653 C ALA A 42 -8.077 0.659 6.904 1.00 51.43 C ATOM 654 O ALA A 42 -7.953 1.490 7.805 1.00 62.01 O ATOM 655 CB ALA A 42 -8.773 -1.734 7.262 1.00 30.15 C ATOM 0 H ALA A 42 -9.872 -1.250 5.113 1.00 32.42 H new ATOM 0 HA ALA A 42 -9.970 0.006 7.648 1.00 2.44 H new ATOM 0 HB1 ALA A 42 -8.269 -1.707 8.228 1.00 30.15 H new ATOM 0 HB2 ALA A 42 -9.627 -2.409 7.317 1.00 30.15 H new ATOM 0 HB3 ALA A 42 -8.078 -2.089 6.501 1.00 30.15 H new ATOM 661 N LEU A 43 -7.220 0.573 5.889 1.00 42.34 N ATOM 662 CA LEU A 43 -6.071 1.477 5.771 1.00 12.04 C ATOM 663 C LEU A 43 -6.527 2.934 5.606 1.00 43.14 C ATOM 664 O LEU A 43 -5.957 3.846 6.203 1.00 23.44 O ATOM 665 CB LEU A 43 -5.181 1.054 4.596 1.00 30.10 C ATOM 666 CG LEU A 43 -4.583 -0.359 4.710 1.00 73.14 C ATOM 667 CD1 LEU A 43 -3.697 -0.675 3.510 1.00 0.11 C ATOM 668 CD2 LEU A 43 -3.804 -0.512 6.015 1.00 3.03 C ATOM 0 H LEU A 43 -7.296 -0.111 5.136 1.00 42.34 H new ATOM 0 HA LEU A 43 -5.491 1.411 6.691 1.00 12.04 H new ATOM 0 HB2 LEU A 43 -5.765 1.112 3.678 1.00 30.10 H new ATOM 0 HB3 LEU A 43 -4.365 1.771 4.501 1.00 30.10 H new ATOM 0 HG LEU A 43 -5.405 -1.074 4.718 1.00 73.14 H new ATOM 0 HD11 LEU A 43 -3.287 -1.679 3.615 1.00 0.11 H new ATOM 0 HD12 LEU A 43 -4.288 -0.618 2.596 1.00 0.11 H new ATOM 0 HD13 LEU A 43 -2.882 0.047 3.460 1.00 0.11 H new ATOM 0 HD21 LEU A 43 -3.390 -1.518 6.076 1.00 3.03 H new ATOM 0 HD22 LEU A 43 -2.994 0.216 6.043 1.00 3.03 H new ATOM 0 HD23 LEU A 43 -4.472 -0.343 6.860 1.00 3.03 H new ATOM 680 N GLY A 44 -7.579 3.142 4.815 1.00 21.13 N ATOM 681 CA GLY A 44 -8.140 4.478 4.638 1.00 3.35 C ATOM 682 C GLY A 44 -8.896 4.983 5.867 1.00 30.24 C ATOM 683 O GLY A 44 -9.518 6.050 5.831 1.00 71.44 O ATOM 0 H GLY A 44 -8.056 2.408 4.291 1.00 21.13 H new ATOM 0 HA2 GLY A 44 -7.335 5.175 4.403 1.00 3.35 H new ATOM 0 HA3 GLY A 44 -8.815 4.471 3.782 1.00 3.35 H new ATOM 687 N ASN A 45 -8.870 4.204 6.947 1.00 4.41 N ATOM 688 CA ASN A 45 -9.491 4.596 8.216 1.00 75.44 C ATOM 689 C ASN A 45 -8.415 4.860 9.291 1.00 14.31 C ATOM 690 O ASN A 45 -8.727 5.200 10.434 1.00 25.35 O ATOM 691 CB ASN A 45 -10.463 3.494 8.669 1.00 12.44 C ATOM 692 CG ASN A 45 -11.367 3.931 9.809 1.00 32.14 C ATOM 693 OD1 ASN A 45 -12.433 4.498 9.590 1.00 43.44 O ATOM 694 ND2 ASN A 45 -10.963 3.658 11.032 1.00 65.12 N ATOM 0 H ASN A 45 -8.421 3.288 6.970 1.00 4.41 H new ATOM 0 HA ASN A 45 -10.047 5.522 8.073 1.00 75.44 H new ATOM 0 HB2 ASN A 45 -11.077 3.189 7.822 1.00 12.44 H new ATOM 0 HB3 ASN A 45 -9.892 2.619 8.980 1.00 12.44 H new ATOM 0 HD21 ASN A 45 -11.542 3.919 11.830 1.00 65.12 H new ATOM 0 HD22 ASN A 45 -10.071 3.185 11.181 1.00 65.12 H new ATOM 701 N LEU A 46 -7.146 4.704 8.908 1.00 23.34 N ATOM 702 CA LEU A 46 -6.018 4.928 9.821 1.00 23.14 C ATOM 703 C LEU A 46 -5.577 6.404 9.816 1.00 63.14 C ATOM 704 O LEU A 46 -5.712 7.100 8.808 1.00 15.33 O ATOM 705 CB LEU A 46 -4.829 4.032 9.422 1.00 34.34 C ATOM 706 CG LEU A 46 -5.089 2.518 9.484 1.00 64.55 C ATOM 707 CD1 LEU A 46 -3.869 1.739 8.995 1.00 33.24 C ATOM 708 CD2 LEU A 46 -5.461 2.091 10.902 1.00 41.13 C ATOM 0 H LEU A 46 -6.871 4.422 7.967 1.00 23.34 H new ATOM 0 HA LEU A 46 -6.348 4.672 10.828 1.00 23.14 H new ATOM 0 HB2 LEU A 46 -4.528 4.290 8.407 1.00 34.34 H new ATOM 0 HB3 LEU A 46 -3.987 4.265 10.073 1.00 34.34 H new ATOM 0 HG LEU A 46 -5.928 2.292 8.826 1.00 64.55 H new ATOM 0 HD11 LEU A 46 -4.075 0.670 9.047 1.00 33.24 H new ATOM 0 HD12 LEU A 46 -3.650 2.016 7.964 1.00 33.24 H new ATOM 0 HD13 LEU A 46 -3.011 1.974 9.624 1.00 33.24 H new ATOM 0 HD21 LEU A 46 -5.641 1.016 10.923 1.00 41.13 H new ATOM 0 HD22 LEU A 46 -4.645 2.336 11.582 1.00 41.13 H new ATOM 0 HD23 LEU A 46 -6.364 2.616 11.215 1.00 41.13 H new ATOM 720 N PRO A 47 -5.052 6.906 10.951 1.00 71.44 N ATOM 721 CA PRO A 47 -4.517 8.277 11.038 1.00 14.33 C ATOM 722 C PRO A 47 -3.215 8.466 10.234 1.00 11.12 C ATOM 723 O PRO A 47 -2.549 7.497 9.858 1.00 32.33 O ATOM 724 CB PRO A 47 -4.261 8.459 12.541 1.00 71.12 C ATOM 725 CG PRO A 47 -4.055 7.075 13.057 1.00 40.24 C ATOM 726 CD PRO A 47 -4.963 6.194 12.241 1.00 31.42 C ATOM 0 HA PRO A 47 -5.205 9.009 10.615 1.00 14.33 H new ATOM 0 HB2 PRO A 47 -3.386 9.084 12.721 1.00 71.12 H new ATOM 0 HB3 PRO A 47 -5.105 8.943 13.031 1.00 71.12 H new ATOM 0 HG2 PRO A 47 -3.014 6.769 12.951 1.00 40.24 H new ATOM 0 HG3 PRO A 47 -4.299 7.013 14.117 1.00 40.24 H new ATOM 0 HD2 PRO A 47 -4.551 5.192 12.121 1.00 31.42 H new ATOM 0 HD3 PRO A 47 -5.942 6.082 12.708 1.00 31.42 H new ATOM 734 N GLU A 48 -2.844 9.726 10.002 1.00 74.24 N ATOM 735 CA GLU A 48 -1.675 10.058 9.175 1.00 12.13 C ATOM 736 C GLU A 48 -0.363 9.493 9.752 1.00 25.43 C ATOM 737 O GLU A 48 0.613 9.309 9.023 1.00 34.11 O ATOM 738 CB GLU A 48 -1.567 11.581 9.006 1.00 20.43 C ATOM 739 CG GLU A 48 -1.374 12.338 10.318 1.00 52.13 C ATOM 740 CD GLU A 48 -1.504 13.843 10.152 1.00 61.22 C ATOM 741 OE1 GLU A 48 -2.647 14.349 10.170 1.00 53.21 O ATOM 742 OE2 GLU A 48 -0.472 14.528 10.002 1.00 21.13 O ATOM 0 H GLU A 48 -3.336 10.538 10.375 1.00 74.24 H new ATOM 0 HA GLU A 48 -1.824 9.589 8.202 1.00 12.13 H new ATOM 0 HB2 GLU A 48 -0.731 11.805 8.343 1.00 20.43 H new ATOM 0 HB3 GLU A 48 -2.469 11.947 8.516 1.00 20.43 H new ATOM 0 HG2 GLU A 48 -2.110 11.992 11.044 1.00 52.13 H new ATOM 0 HG3 GLU A 48 -0.390 12.105 10.726 1.00 52.13 H new ATOM 749 N GLY A 49 -0.337 9.227 11.055 1.00 21.45 N ATOM 750 CA GLY A 49 0.856 8.658 11.682 1.00 73.30 C ATOM 751 C GLY A 49 0.531 7.573 12.704 1.00 31.05 C ATOM 752 O GLY A 49 0.800 7.732 13.897 1.00 5.43 O ATOM 0 H GLY A 49 -1.116 9.393 11.692 1.00 21.45 H new ATOM 0 HA2 GLY A 49 1.502 8.240 10.910 1.00 73.30 H new ATOM 0 HA3 GLY A 49 1.418 9.454 12.171 1.00 73.30 H new ATOM 756 N SER A 50 -0.047 6.468 12.239 1.00 41.50 N ATOM 757 CA SER A 50 -0.401 5.342 13.118 1.00 14.51 C ATOM 758 C SER A 50 0.806 4.430 13.370 1.00 31.22 C ATOM 759 O SER A 50 1.886 4.640 12.815 1.00 64.12 O ATOM 760 CB SER A 50 -1.534 4.513 12.496 1.00 13.42 C ATOM 761 OG SER A 50 -1.109 3.875 11.299 1.00 11.42 O ATOM 0 H SER A 50 -0.283 6.322 11.257 1.00 41.50 H new ATOM 0 HA SER A 50 -0.730 5.761 14.069 1.00 14.51 H new ATOM 0 HB2 SER A 50 -1.873 3.763 13.210 1.00 13.42 H new ATOM 0 HB3 SER A 50 -2.386 5.159 12.284 1.00 13.42 H new ATOM 0 HG SER A 50 -1.850 3.353 10.926 1.00 11.42 H new ATOM 767 N LYS A 51 0.614 3.400 14.197 1.00 32.21 N ATOM 768 CA LYS A 51 1.680 2.426 14.481 1.00 40.24 C ATOM 769 C LYS A 51 1.795 1.379 13.356 1.00 54.33 C ATOM 770 O LYS A 51 2.535 0.400 13.471 1.00 14.31 O ATOM 771 CB LYS A 51 1.418 1.734 15.825 1.00 53.52 C ATOM 772 CG LYS A 51 1.294 2.709 16.994 1.00 1.43 C ATOM 773 CD LYS A 51 1.138 1.991 18.332 1.00 35.14 C ATOM 774 CE LYS A 51 2.391 1.207 18.708 1.00 14.24 C ATOM 775 NZ LYS A 51 3.581 2.091 18.839 1.00 40.13 N ATOM 0 H LYS A 51 -0.264 3.216 14.682 1.00 32.21 H new ATOM 0 HA LYS A 51 2.625 2.966 14.535 1.00 40.24 H new ATOM 0 HB2 LYS A 51 0.502 1.148 15.751 1.00 53.52 H new ATOM 0 HB3 LYS A 51 2.228 1.034 16.029 1.00 53.52 H new ATOM 0 HG2 LYS A 51 2.177 3.347 17.027 1.00 1.43 H new ATOM 0 HG3 LYS A 51 0.436 3.361 16.831 1.00 1.43 H new ATOM 0 HD2 LYS A 51 0.919 2.720 19.112 1.00 35.14 H new ATOM 0 HD3 LYS A 51 0.287 1.312 18.282 1.00 35.14 H new ATOM 0 HE2 LYS A 51 2.223 0.683 19.649 1.00 14.24 H new ATOM 0 HE3 LYS A 51 2.585 0.447 17.951 1.00 14.24 H new ATOM 0 HZ1 LYS A 51 4.340 1.580 19.334 1.00 40.13 H new ATOM 0 HZ2 LYS A 51 3.911 2.371 17.893 1.00 40.13 H new ATOM 0 HZ3 LYS A 51 3.325 2.940 19.382 1.00 40.13 H new ATOM 789 N LEU A 52 1.052 1.600 12.275 1.00 33.41 N ATOM 790 CA LEU A 52 1.089 0.740 11.089 1.00 0.43 C ATOM 791 C LEU A 52 1.359 1.578 9.830 1.00 15.52 C ATOM 792 O LEU A 52 0.603 2.506 9.521 1.00 63.30 O ATOM 793 CB LEU A 52 -0.247 0.000 10.928 1.00 23.21 C ATOM 794 CG LEU A 52 -0.349 -0.903 9.686 1.00 41.22 C ATOM 795 CD1 LEU A 52 0.535 -2.137 9.827 1.00 1.22 C ATOM 796 CD2 LEU A 52 -1.796 -1.298 9.425 1.00 62.45 C ATOM 0 H LEU A 52 0.404 2.383 12.194 1.00 33.41 H new ATOM 0 HA LEU A 52 1.892 0.014 11.217 1.00 0.43 H new ATOM 0 HB2 LEU A 52 -0.416 -0.609 11.816 1.00 23.21 H new ATOM 0 HB3 LEU A 52 -1.050 0.736 10.889 1.00 23.21 H new ATOM 0 HG LEU A 52 0.010 -0.335 8.828 1.00 41.22 H new ATOM 0 HD11 LEU A 52 0.442 -2.755 8.934 1.00 1.22 H new ATOM 0 HD12 LEU A 52 1.573 -1.829 9.948 1.00 1.22 H new ATOM 0 HD13 LEU A 52 0.223 -2.710 10.700 1.00 1.22 H new ATOM 0 HD21 LEU A 52 -1.845 -1.936 8.543 1.00 62.45 H new ATOM 0 HD22 LEU A 52 -2.186 -1.839 10.287 1.00 62.45 H new ATOM 0 HD23 LEU A 52 -2.393 -0.402 9.258 1.00 62.45 H new ATOM 808 N PRO A 53 2.434 1.283 9.080 1.00 24.22 N ATOM 809 CA PRO A 53 2.715 1.988 7.824 1.00 64.30 C ATOM 810 C PRO A 53 1.725 1.603 6.707 1.00 75.33 C ATOM 811 O PRO A 53 1.908 0.604 6.013 1.00 32.03 O ATOM 812 CB PRO A 53 4.142 1.535 7.477 1.00 5.15 C ATOM 813 CG PRO A 53 4.283 0.199 8.132 1.00 20.22 C ATOM 814 CD PRO A 53 3.458 0.265 9.393 1.00 2.32 C ATOM 0 HA PRO A 53 2.615 3.069 7.924 1.00 64.30 H new ATOM 0 HB2 PRO A 53 4.284 1.465 6.399 1.00 5.15 H new ATOM 0 HB3 PRO A 53 4.884 2.240 7.851 1.00 5.15 H new ATOM 0 HG2 PRO A 53 3.930 -0.596 7.476 1.00 20.22 H new ATOM 0 HG3 PRO A 53 5.327 -0.016 8.360 1.00 20.22 H new ATOM 0 HD2 PRO A 53 3.007 -0.699 9.629 1.00 2.32 H new ATOM 0 HD3 PRO A 53 4.062 0.554 10.253 1.00 2.32 H new ATOM 822 N TRP A 54 0.680 2.412 6.534 1.00 74.30 N ATOM 823 CA TRP A 54 -0.346 2.147 5.514 1.00 34.14 C ATOM 824 C TRP A 54 0.121 2.562 4.110 1.00 33.10 C ATOM 825 O TRP A 54 -0.435 2.120 3.105 1.00 74.01 O ATOM 826 CB TRP A 54 -1.665 2.849 5.881 1.00 3.33 C ATOM 827 CG TRP A 54 -1.507 4.270 6.348 1.00 51.54 C ATOM 828 CD1 TRP A 54 -1.466 4.701 7.646 1.00 60.42 C ATOM 829 CD2 TRP A 54 -1.374 5.445 5.532 1.00 11.35 C ATOM 830 NE1 TRP A 54 -1.319 6.064 7.686 1.00 71.43 N ATOM 831 CE2 TRP A 54 -1.260 6.546 6.404 1.00 53.01 C ATOM 832 CE3 TRP A 54 -1.342 5.675 4.152 1.00 43.04 C ATOM 833 CZ2 TRP A 54 -1.113 7.852 5.942 1.00 61.52 C ATOM 834 CZ3 TRP A 54 -1.197 6.971 3.695 1.00 75.44 C ATOM 835 CH2 TRP A 54 -1.084 8.046 4.587 1.00 24.14 C ATOM 0 H TRP A 54 0.518 3.256 7.084 1.00 74.30 H new ATOM 0 HA TRP A 54 -0.517 1.071 5.492 1.00 34.14 H new ATOM 0 HB2 TRP A 54 -2.322 2.837 5.012 1.00 3.33 H new ATOM 0 HB3 TRP A 54 -2.161 2.276 6.664 1.00 3.33 H new ATOM 0 HD1 TRP A 54 -1.539 4.061 8.513 1.00 60.42 H new ATOM 0 HE1 TRP A 54 -1.263 6.629 8.534 1.00 71.43 H new ATOM 0 HE3 TRP A 54 -1.429 4.854 3.456 1.00 43.04 H new ATOM 0 HZ2 TRP A 54 -1.025 8.682 6.628 1.00 61.52 H new ATOM 0 HZ3 TRP A 54 -1.170 7.159 2.632 1.00 75.44 H new ATOM 0 HH2 TRP A 54 -0.972 9.047 4.198 1.00 24.14 H new ATOM 846 N PHE A 55 1.172 3.381 4.045 1.00 53.41 N ATOM 847 CA PHE A 55 1.711 3.863 2.764 1.00 41.52 C ATOM 848 C PHE A 55 2.399 2.744 1.953 1.00 10.32 C ATOM 849 O PHE A 55 2.921 2.986 0.868 1.00 2.22 O ATOM 850 CB PHE A 55 2.684 5.035 3.005 1.00 2.35 C ATOM 851 CG PHE A 55 3.862 4.719 3.902 1.00 4.10 C ATOM 852 CD1 PHE A 55 5.020 4.151 3.383 1.00 64.12 C ATOM 853 CD2 PHE A 55 3.815 5.002 5.262 1.00 44.43 C ATOM 854 CE1 PHE A 55 6.101 3.874 4.200 1.00 32.30 C ATOM 855 CE2 PHE A 55 4.895 4.725 6.081 1.00 21.43 C ATOM 856 CZ PHE A 55 6.039 4.160 5.550 1.00 25.13 C ATOM 0 H PHE A 55 1.671 3.727 4.865 1.00 53.41 H new ATOM 0 HA PHE A 55 0.867 4.211 2.168 1.00 41.52 H new ATOM 0 HB2 PHE A 55 3.062 5.376 2.042 1.00 2.35 H new ATOM 0 HB3 PHE A 55 2.128 5.865 3.441 1.00 2.35 H new ATOM 0 HD1 PHE A 55 5.076 3.923 2.329 1.00 64.12 H new ATOM 0 HD2 PHE A 55 2.925 5.444 5.685 1.00 44.43 H new ATOM 0 HE1 PHE A 55 6.994 3.434 3.782 1.00 32.30 H new ATOM 0 HE2 PHE A 55 4.844 4.950 7.136 1.00 21.43 H new ATOM 0 HZ PHE A 55 6.882 3.943 6.189 1.00 25.13 H new ATOM 866 N ARG A 56 2.383 1.521 2.478 1.00 13.11 N ATOM 867 CA ARG A 56 3.010 0.375 1.809 1.00 11.43 C ATOM 868 C ARG A 56 2.085 -0.262 0.753 1.00 40.20 C ATOM 869 O ARG A 56 2.536 -1.063 -0.071 1.00 52.33 O ATOM 870 CB ARG A 56 3.389 -0.689 2.851 1.00 51.33 C ATOM 871 CG ARG A 56 4.411 -0.225 3.886 1.00 50.22 C ATOM 872 CD ARG A 56 5.797 -0.025 3.278 1.00 44.14 C ATOM 873 NE ARG A 56 6.794 0.320 4.294 1.00 1.02 N ATOM 874 CZ ARG A 56 7.436 -0.557 5.024 1.00 51.34 C ATOM 875 NH1 ARG A 56 7.208 -1.821 4.887 1.00 33.42 N ATOM 876 NH2 ARG A 56 8.303 -0.159 5.893 1.00 42.12 N ATOM 0 H ARG A 56 1.941 1.294 3.369 1.00 13.11 H new ATOM 0 HA ARG A 56 3.899 0.745 1.298 1.00 11.43 H new ATOM 0 HB2 ARG A 56 2.485 -1.010 3.369 1.00 51.33 H new ATOM 0 HB3 ARG A 56 3.786 -1.562 2.333 1.00 51.33 H new ATOM 0 HG2 ARG A 56 4.074 0.710 4.333 1.00 50.22 H new ATOM 0 HG3 ARG A 56 4.471 -0.959 4.689 1.00 50.22 H new ATOM 0 HD2 ARG A 56 6.103 -0.936 2.764 1.00 44.14 H new ATOM 0 HD3 ARG A 56 5.754 0.765 2.528 1.00 44.14 H new ATOM 0 HE ARG A 56 7.002 1.308 4.442 1.00 1.02 H new ATOM 0 HH11 ARG A 56 6.522 -2.145 4.205 1.00 33.42 H new ATOM 0 HH12 ARG A 56 7.714 -2.496 5.461 1.00 33.42 H new ATOM 0 HH21 ARG A 56 8.487 0.837 6.010 1.00 42.12 H new ATOM 0 HH22 ARG A 56 8.804 -0.841 6.463 1.00 42.12 H new ATOM 890 N VAL A 57 0.796 0.086 0.776 1.00 71.22 N ATOM 891 CA VAL A 57 -0.198 -0.597 -0.067 1.00 22.20 C ATOM 892 C VAL A 57 -0.987 0.379 -0.968 1.00 52.31 C ATOM 893 O VAL A 57 -1.383 1.462 -0.540 1.00 2.13 O ATOM 894 CB VAL A 57 -1.203 -1.399 0.804 1.00 51.54 C ATOM 895 CG1 VAL A 57 -2.046 -2.330 -0.063 1.00 52.44 C ATOM 896 CG2 VAL A 57 -0.477 -2.185 1.898 1.00 1.45 C ATOM 0 H VAL A 57 0.415 0.829 1.362 1.00 71.22 H new ATOM 0 HA VAL A 57 0.365 -1.274 -0.710 1.00 22.20 H new ATOM 0 HB VAL A 57 -1.870 -0.687 1.289 1.00 51.54 H new ATOM 0 HG11 VAL A 57 -2.743 -2.882 0.567 1.00 52.44 H new ATOM 0 HG12 VAL A 57 -2.603 -1.742 -0.792 1.00 52.44 H new ATOM 0 HG13 VAL A 57 -1.394 -3.031 -0.584 1.00 52.44 H new ATOM 0 HG21 VAL A 57 -1.204 -2.737 2.493 1.00 1.45 H new ATOM 0 HG22 VAL A 57 0.223 -2.884 1.440 1.00 1.45 H new ATOM 0 HG23 VAL A 57 0.068 -1.494 2.541 1.00 1.45 H new ATOM 906 N ILE A 58 -1.206 -0.025 -2.222 1.00 32.22 N ATOM 907 CA ILE A 58 -2.036 0.738 -3.172 1.00 74.24 C ATOM 908 C ILE A 58 -2.984 -0.197 -3.946 1.00 13.11 C ATOM 909 O ILE A 58 -3.053 -1.394 -3.661 1.00 14.14 O ATOM 910 CB ILE A 58 -1.172 1.525 -4.195 1.00 53.11 C ATOM 911 CG1 ILE A 58 -0.280 0.568 -5.006 1.00 34.21 C ATOM 912 CG2 ILE A 58 -0.329 2.588 -3.495 1.00 35.00 C ATOM 913 CD1 ILE A 58 0.519 1.251 -6.097 1.00 43.20 C ATOM 0 H ILE A 58 -0.818 -0.884 -2.611 1.00 32.22 H new ATOM 0 HA ILE A 58 -2.614 1.447 -2.579 1.00 74.24 H new ATOM 0 HB ILE A 58 -1.846 2.031 -4.886 1.00 53.11 H new ATOM 0 HG12 ILE A 58 0.408 0.064 -4.327 1.00 34.21 H new ATOM 0 HG13 ILE A 58 -0.906 -0.203 -5.456 1.00 34.21 H new ATOM 0 HG21 ILE A 58 0.267 3.125 -4.234 1.00 35.00 H new ATOM 0 HG22 ILE A 58 -0.984 3.289 -2.978 1.00 35.00 H new ATOM 0 HG23 ILE A 58 0.333 2.110 -2.773 1.00 35.00 H new ATOM 0 HD11 ILE A 58 1.122 0.511 -6.624 1.00 43.20 H new ATOM 0 HD12 ILE A 58 -0.162 1.731 -6.800 1.00 43.20 H new ATOM 0 HD13 ILE A 58 1.172 2.003 -5.653 1.00 43.20 H new ATOM 925 N ASN A 59 -3.721 0.342 -4.917 1.00 33.33 N ATOM 926 CA ASN A 59 -4.593 -0.486 -5.764 1.00 13.41 C ATOM 927 C ASN A 59 -3.830 -1.038 -6.981 1.00 43.54 C ATOM 928 O ASN A 59 -2.907 -0.402 -7.498 1.00 54.40 O ATOM 929 CB ASN A 59 -5.851 0.294 -6.190 1.00 14.31 C ATOM 930 CG ASN A 59 -5.549 1.694 -6.690 1.00 22.11 C ATOM 931 OD1 ASN A 59 -5.485 2.637 -5.912 1.00 42.41 O ATOM 932 ND2 ASN A 59 -5.380 1.846 -7.987 1.00 33.43 N ATOM 0 H ASN A 59 -3.735 1.337 -5.139 1.00 33.33 H new ATOM 0 HA ASN A 59 -4.920 -1.341 -5.173 1.00 13.41 H new ATOM 0 HB2 ASN A 59 -6.366 -0.261 -6.974 1.00 14.31 H new ATOM 0 HB3 ASN A 59 -6.534 0.358 -5.343 1.00 14.31 H new ATOM 0 HD21 ASN A 59 -5.189 2.771 -8.371 1.00 33.43 H new ATOM 0 HD22 ASN A 59 -5.440 1.038 -8.607 1.00 33.43 H new ATOM 939 N SER A 60 -4.238 -2.219 -7.449 1.00 73.32 N ATOM 940 CA SER A 60 -3.501 -2.966 -8.492 1.00 31.24 C ATOM 941 C SER A 60 -3.472 -2.249 -9.851 1.00 71.41 C ATOM 942 O SER A 60 -2.959 -2.791 -10.832 1.00 63.44 O ATOM 943 CB SER A 60 -4.104 -4.369 -8.670 1.00 42.12 C ATOM 944 OG SER A 60 -4.087 -5.097 -7.449 1.00 52.24 O ATOM 0 H SER A 60 -5.082 -2.690 -7.124 1.00 73.32 H new ATOM 0 HA SER A 60 -2.471 -3.036 -8.143 1.00 31.24 H new ATOM 0 HB2 SER A 60 -5.129 -4.284 -9.031 1.00 42.12 H new ATOM 0 HB3 SER A 60 -3.543 -4.915 -9.429 1.00 42.12 H new ATOM 0 HG SER A 60 -4.478 -5.984 -7.592 1.00 52.24 H new ATOM 950 N GLN A 61 -4.012 -1.035 -9.914 1.00 43.21 N ATOM 951 CA GLN A 61 -4.011 -0.256 -11.155 1.00 34.31 C ATOM 952 C GLN A 61 -2.723 0.581 -11.281 1.00 53.12 C ATOM 953 O GLN A 61 -2.450 1.163 -12.331 1.00 52.13 O ATOM 954 CB GLN A 61 -5.245 0.663 -11.216 1.00 65.01 C ATOM 955 CG GLN A 61 -6.556 -0.001 -10.783 1.00 71.52 C ATOM 956 CD GLN A 61 -6.745 -1.399 -11.351 1.00 62.02 C ATOM 957 OE1 GLN A 61 -6.378 -2.389 -10.727 1.00 24.45 O ATOM 958 NE2 GLN A 61 -7.302 -1.493 -12.536 1.00 12.23 N ATOM 0 H GLN A 61 -4.456 -0.568 -9.123 1.00 43.21 H new ATOM 0 HA GLN A 61 -4.050 -0.956 -11.990 1.00 34.31 H new ATOM 0 HB2 GLN A 61 -5.066 1.532 -10.583 1.00 65.01 H new ATOM 0 HB3 GLN A 61 -5.358 1.030 -12.236 1.00 65.01 H new ATOM 0 HG2 GLN A 61 -6.586 -0.053 -9.695 1.00 71.52 H new ATOM 0 HG3 GLN A 61 -7.392 0.625 -11.095 1.00 71.52 H new ATOM 0 HE21 GLN A 61 -7.596 -0.650 -13.029 1.00 12.23 H new ATOM 0 HE22 GLN A 61 -7.440 -2.409 -12.963 1.00 12.23 H new ATOM 967 N GLY A 62 -1.935 0.629 -10.200 1.00 23.41 N ATOM 968 CA GLY A 62 -0.689 1.395 -10.201 1.00 52.33 C ATOM 969 C GLY A 62 -0.874 2.841 -9.743 1.00 32.31 C ATOM 970 O GLY A 62 -0.224 3.753 -10.253 1.00 3.20 O ATOM 0 H GLY A 62 -2.138 0.150 -9.322 1.00 23.41 H new ATOM 0 HA2 GLY A 62 0.033 0.903 -9.549 1.00 52.33 H new ATOM 0 HA3 GLY A 62 -0.267 1.390 -11.206 1.00 52.33 H new ATOM 974 N LYS A 63 -1.755 3.045 -8.766 1.00 13.40 N ATOM 975 CA LYS A 63 -2.077 4.392 -8.280 1.00 34.22 C ATOM 976 C LYS A 63 -2.500 4.395 -6.797 1.00 50.51 C ATOM 977 O LYS A 63 -2.946 3.383 -6.258 1.00 74.14 O ATOM 978 CB LYS A 63 -3.189 5.009 -9.152 1.00 61.34 C ATOM 979 CG LYS A 63 -3.860 6.232 -8.531 1.00 21.14 C ATOM 980 CD LYS A 63 -4.878 6.884 -9.462 1.00 24.53 C ATOM 981 CE LYS A 63 -5.771 7.869 -8.712 1.00 21.45 C ATOM 982 NZ LYS A 63 -4.989 8.798 -7.854 1.00 24.54 N ATOM 0 H LYS A 63 -2.261 2.296 -8.293 1.00 13.40 H new ATOM 0 HA LYS A 63 -1.171 4.994 -8.356 1.00 34.22 H new ATOM 0 HB2 LYS A 63 -2.766 5.290 -10.116 1.00 61.34 H new ATOM 0 HB3 LYS A 63 -3.947 4.250 -9.346 1.00 61.34 H new ATOM 0 HG2 LYS A 63 -4.356 5.938 -7.606 1.00 21.14 H new ATOM 0 HG3 LYS A 63 -3.097 6.964 -8.265 1.00 21.14 H new ATOM 0 HD2 LYS A 63 -4.357 7.403 -10.266 1.00 24.53 H new ATOM 0 HD3 LYS A 63 -5.494 6.114 -9.926 1.00 24.53 H new ATOM 0 HE2 LYS A 63 -6.355 8.445 -9.429 1.00 21.45 H new ATOM 0 HE3 LYS A 63 -6.479 7.317 -8.094 1.00 21.45 H new ATOM 0 HZ1 LYS A 63 -5.537 9.667 -7.694 1.00 24.54 H new ATOM 0 HZ2 LYS A 63 -4.788 8.342 -6.941 1.00 24.54 H new ATOM 0 HZ3 LYS A 63 -4.093 9.036 -8.326 1.00 24.54 H new ATOM 996 N ILE A 64 -2.325 5.547 -6.144 1.00 51.52 N ATOM 997 CA ILE A 64 -2.858 5.786 -4.801 1.00 24.33 C ATOM 998 C ILE A 64 -4.321 6.258 -4.892 1.00 24.12 C ATOM 999 O ILE A 64 -4.609 7.303 -5.488 1.00 42.22 O ATOM 1000 CB ILE A 64 -2.019 6.859 -4.057 1.00 21.03 C ATOM 1001 CG1 ILE A 64 -0.533 6.450 -4.019 1.00 61.12 C ATOM 1002 CG2 ILE A 64 -2.554 7.079 -2.640 1.00 54.43 C ATOM 1003 CD1 ILE A 64 0.376 7.484 -3.383 1.00 74.22 C ATOM 0 H ILE A 64 -1.811 6.338 -6.531 1.00 51.52 H new ATOM 0 HA ILE A 64 -2.807 4.850 -4.244 1.00 24.33 H new ATOM 0 HB ILE A 64 -2.104 7.799 -4.602 1.00 21.03 H new ATOM 0 HG12 ILE A 64 -0.439 5.512 -3.471 1.00 61.12 H new ATOM 0 HG13 ILE A 64 -0.193 6.260 -5.037 1.00 61.12 H new ATOM 0 HG21 ILE A 64 -1.951 7.835 -2.137 1.00 54.43 H new ATOM 0 HG22 ILE A 64 -3.590 7.415 -2.690 1.00 54.43 H new ATOM 0 HG23 ILE A 64 -2.503 6.144 -2.082 1.00 54.43 H new ATOM 0 HD11 ILE A 64 1.404 7.121 -3.395 1.00 74.22 H new ATOM 0 HD12 ILE A 64 0.314 8.417 -3.943 1.00 74.22 H new ATOM 0 HD13 ILE A 64 0.064 7.658 -2.353 1.00 74.22 H new ATOM 1015 N SER A 65 -5.243 5.480 -4.323 1.00 51.13 N ATOM 1016 CA SER A 65 -6.681 5.806 -4.382 1.00 52.34 C ATOM 1017 C SER A 65 -7.066 6.921 -3.395 1.00 21.02 C ATOM 1018 O SER A 65 -8.165 7.477 -3.468 1.00 12.20 O ATOM 1019 CB SER A 65 -7.527 4.554 -4.105 1.00 71.45 C ATOM 1020 OG SER A 65 -8.916 4.828 -4.222 1.00 23.35 O ATOM 0 H SER A 65 -5.028 4.621 -3.816 1.00 51.13 H new ATOM 0 HA SER A 65 -6.884 6.169 -5.389 1.00 52.34 H new ATOM 0 HB2 SER A 65 -7.251 3.765 -4.804 1.00 71.45 H new ATOM 0 HB3 SER A 65 -7.311 4.182 -3.103 1.00 71.45 H new ATOM 0 HG SER A 65 -9.068 5.792 -4.136 1.00 23.35 H new ATOM 1026 N LEU A 66 -6.161 7.245 -2.474 1.00 4.42 N ATOM 1027 CA LEU A 66 -6.407 8.299 -1.480 1.00 23.00 C ATOM 1028 C LEU A 66 -6.491 9.690 -2.133 1.00 23.22 C ATOM 1029 O LEU A 66 -5.720 10.016 -3.037 1.00 12.41 O ATOM 1030 CB LEU A 66 -5.308 8.296 -0.408 1.00 12.22 C ATOM 1031 CG LEU A 66 -5.181 6.994 0.404 1.00 54.21 C ATOM 1032 CD1 LEU A 66 -4.028 7.091 1.402 1.00 31.31 C ATOM 1033 CD2 LEU A 66 -6.491 6.671 1.124 1.00 23.52 C ATOM 0 H LEU A 66 -5.249 6.795 -2.392 1.00 4.42 H new ATOM 0 HA LEU A 66 -7.368 8.085 -1.013 1.00 23.00 H new ATOM 0 HB2 LEU A 66 -4.352 8.497 -0.891 1.00 12.22 H new ATOM 0 HB3 LEU A 66 -5.495 9.118 0.283 1.00 12.22 H new ATOM 0 HG LEU A 66 -4.966 6.182 -0.290 1.00 54.21 H new ATOM 0 HD11 LEU A 66 -3.955 6.161 1.966 1.00 31.31 H new ATOM 0 HD12 LEU A 66 -3.095 7.264 0.865 1.00 31.31 H new ATOM 0 HD13 LEU A 66 -4.210 7.918 2.088 1.00 31.31 H new ATOM 0 HD21 LEU A 66 -6.376 5.747 1.691 1.00 23.52 H new ATOM 0 HD22 LEU A 66 -6.743 7.485 1.804 1.00 23.52 H new ATOM 0 HD23 LEU A 66 -7.289 6.551 0.391 1.00 23.52 H new ATOM 1045 N LYS A 67 -7.431 10.506 -1.661 1.00 73.31 N ATOM 1046 CA LYS A 67 -7.643 11.855 -2.202 1.00 63.14 C ATOM 1047 C LYS A 67 -7.336 12.940 -1.154 1.00 1.24 C ATOM 1048 O LYS A 67 -7.132 12.641 0.024 1.00 41.13 O ATOM 1049 CB LYS A 67 -9.088 11.984 -2.698 1.00 61.34 C ATOM 1050 CG LYS A 67 -9.434 10.991 -3.804 1.00 13.22 C ATOM 1051 CD LYS A 67 -10.930 10.944 -4.089 1.00 5.20 C ATOM 1052 CE LYS A 67 -11.466 12.264 -4.632 1.00 10.13 C ATOM 1053 NZ LYS A 67 -12.936 12.204 -4.848 1.00 3.40 N ATOM 0 H LYS A 67 -8.064 10.258 -0.900 1.00 73.31 H new ATOM 0 HA LYS A 67 -6.956 12.004 -3.035 1.00 63.14 H new ATOM 0 HB2 LYS A 67 -9.768 11.835 -1.859 1.00 61.34 H new ATOM 0 HB3 LYS A 67 -9.251 12.998 -3.064 1.00 61.34 H new ATOM 0 HG2 LYS A 67 -8.901 11.264 -4.715 1.00 13.22 H new ATOM 0 HG3 LYS A 67 -9.089 9.997 -3.519 1.00 13.22 H new ATOM 0 HD2 LYS A 67 -11.134 10.150 -4.808 1.00 5.20 H new ATOM 0 HD3 LYS A 67 -11.463 10.689 -3.173 1.00 5.20 H new ATOM 0 HE2 LYS A 67 -11.232 13.068 -3.935 1.00 10.13 H new ATOM 0 HE3 LYS A 67 -10.968 12.502 -5.572 1.00 10.13 H new ATOM 0 HZ1 LYS A 67 -13.270 13.117 -5.218 1.00 3.40 H new ATOM 0 HZ2 LYS A 67 -13.156 11.452 -5.532 1.00 3.40 H new ATOM 0 HZ3 LYS A 67 -13.411 12.001 -3.946 1.00 3.40 H new ATOM 1067 N GLY A 68 -7.326 14.201 -1.584 1.00 5.33 N ATOM 1068 CA GLY A 68 -6.943 15.294 -0.693 1.00 45.41 C ATOM 1069 C GLY A 68 -5.443 15.316 -0.400 1.00 61.50 C ATOM 1070 O GLY A 68 -4.648 14.793 -1.183 1.00 51.31 O ATOM 0 H GLY A 68 -7.575 14.488 -2.530 1.00 5.33 H new ATOM 0 HA2 GLY A 68 -7.236 16.243 -1.142 1.00 45.41 H new ATOM 0 HA3 GLY A 68 -7.491 15.202 0.245 1.00 45.41 H new ATOM 1074 N ARG A 69 -5.045 15.917 0.724 1.00 60.34 N ATOM 1075 CA ARG A 69 -3.623 15.953 1.107 1.00 61.54 C ATOM 1076 C ARG A 69 -3.104 14.540 1.435 1.00 31.23 C ATOM 1077 O ARG A 69 -1.896 14.290 1.433 1.00 73.32 O ATOM 1078 CB ARG A 69 -3.384 16.899 2.307 1.00 21.33 C ATOM 1079 CG ARG A 69 -3.570 16.261 3.689 1.00 40.32 C ATOM 1080 CD ARG A 69 -5.000 15.796 3.938 1.00 24.33 C ATOM 1081 NE ARG A 69 -5.954 16.903 3.940 1.00 31.14 N ATOM 1082 CZ ARG A 69 -7.249 16.751 3.946 1.00 31.31 C ATOM 1083 NH1 ARG A 69 -7.778 15.568 3.881 1.00 23.32 N ATOM 1084 NH2 ARG A 69 -8.018 17.786 4.008 1.00 75.30 N ATOM 0 H ARG A 69 -5.674 16.381 1.380 1.00 60.34 H new ATOM 0 HA ARG A 69 -3.067 16.340 0.253 1.00 61.54 H new ATOM 0 HB2 ARG A 69 -2.371 17.295 2.241 1.00 21.33 H new ATOM 0 HB3 ARG A 69 -4.064 17.747 2.222 1.00 21.33 H new ATOM 0 HG2 ARG A 69 -2.895 15.411 3.785 1.00 40.32 H new ATOM 0 HG3 ARG A 69 -3.288 16.981 4.457 1.00 40.32 H new ATOM 0 HD2 ARG A 69 -5.284 15.077 3.170 1.00 24.33 H new ATOM 0 HD3 ARG A 69 -5.049 15.276 4.895 1.00 24.33 H new ATOM 0 HE ARG A 69 -5.584 17.853 3.936 1.00 31.14 H new ATOM 0 HH11 ARG A 69 -7.179 14.744 3.824 1.00 23.32 H new ATOM 0 HH12 ARG A 69 -8.792 15.462 3.887 1.00 23.32 H new ATOM 0 HH21 ARG A 69 -7.612 18.721 4.052 1.00 75.30 H new ATOM 0 HH22 ARG A 69 -9.031 17.669 4.013 1.00 75.30 H new ATOM 1098 N ASP A 70 -4.038 13.626 1.712 1.00 0.15 N ATOM 1099 CA ASP A 70 -3.714 12.238 2.058 1.00 52.14 C ATOM 1100 C ASP A 70 -2.866 11.566 0.963 1.00 54.40 C ATOM 1101 O ASP A 70 -1.971 10.767 1.257 1.00 45.43 O ATOM 1102 CB ASP A 70 -5.012 11.456 2.276 1.00 4.25 C ATOM 1103 CG ASP A 70 -5.895 12.081 3.346 1.00 70.31 C ATOM 1104 OD1 ASP A 70 -6.521 13.132 3.073 1.00 1.04 O ATOM 1105 OD2 ASP A 70 -5.971 11.528 4.462 1.00 2.13 O ATOM 0 H ASP A 70 -5.038 13.826 1.703 1.00 0.15 H new ATOM 0 HA ASP A 70 -3.124 12.239 2.975 1.00 52.14 H new ATOM 0 HB2 ASP A 70 -5.564 11.405 1.338 1.00 4.25 H new ATOM 0 HB3 ASP A 70 -4.772 10.431 2.560 1.00 4.25 H new ATOM 1110 N LEU A 71 -3.146 11.905 -0.296 1.00 52.01 N ATOM 1111 CA LEU A 71 -2.376 11.379 -1.429 1.00 33.30 C ATOM 1112 C LEU A 71 -0.904 11.807 -1.313 1.00 11.54 C ATOM 1113 O LEU A 71 0.000 10.972 -1.358 1.00 12.03 O ATOM 1114 CB LEU A 71 -2.994 11.862 -2.759 1.00 62.44 C ATOM 1115 CG LEU A 71 -2.503 11.150 -4.047 1.00 62.12 C ATOM 1116 CD1 LEU A 71 -3.472 11.404 -5.200 1.00 4.14 C ATOM 1117 CD2 LEU A 71 -1.094 11.603 -4.440 1.00 64.51 C ATOM 0 H LEU A 71 -3.899 12.541 -0.559 1.00 52.01 H new ATOM 0 HA LEU A 71 -2.413 10.290 -1.413 1.00 33.30 H new ATOM 0 HB2 LEU A 71 -4.076 11.745 -2.695 1.00 62.44 H new ATOM 0 HB3 LEU A 71 -2.794 12.929 -2.861 1.00 62.44 H new ATOM 0 HG LEU A 71 -2.467 10.081 -3.837 1.00 62.12 H new ATOM 0 HD11 LEU A 71 -3.112 10.897 -6.096 1.00 4.14 H new ATOM 0 HD12 LEU A 71 -4.458 11.021 -4.938 1.00 4.14 H new ATOM 0 HD13 LEU A 71 -3.538 12.475 -5.391 1.00 4.14 H new ATOM 0 HD21 LEU A 71 -0.784 11.083 -5.346 1.00 64.51 H new ATOM 0 HD22 LEU A 71 -1.095 12.678 -4.621 1.00 64.51 H new ATOM 0 HD23 LEU A 71 -0.399 11.371 -3.633 1.00 64.51 H new ATOM 1129 N ASP A 72 -0.672 13.110 -1.147 1.00 71.21 N ATOM 1130 CA ASP A 72 0.686 13.636 -0.969 1.00 14.31 C ATOM 1131 C ASP A 72 1.340 13.125 0.325 1.00 53.44 C ATOM 1132 O ASP A 72 2.560 13.009 0.399 1.00 24.50 O ATOM 1133 CB ASP A 72 0.679 15.166 -1.001 1.00 1.20 C ATOM 1134 CG ASP A 72 0.617 15.703 -2.418 1.00 14.55 C ATOM 1135 OD1 ASP A 72 -0.428 15.538 -3.075 1.00 22.42 O ATOM 1136 OD2 ASP A 72 1.623 16.285 -2.886 1.00 41.32 O ATOM 0 H ASP A 72 -1.404 13.821 -1.132 1.00 71.21 H new ATOM 0 HA ASP A 72 1.286 13.269 -1.801 1.00 14.31 H new ATOM 0 HB2 ASP A 72 -0.175 15.537 -0.435 1.00 1.20 H new ATOM 0 HB3 ASP A 72 1.575 15.543 -0.509 1.00 1.20 H new ATOM 1141 N ARG A 73 0.534 12.818 1.340 1.00 72.13 N ATOM 1142 CA ARG A 73 1.056 12.227 2.579 1.00 33.21 C ATOM 1143 C ARG A 73 1.813 10.925 2.246 1.00 53.00 C ATOM 1144 O ARG A 73 2.986 10.764 2.593 1.00 50.32 O ATOM 1145 CB ARG A 73 -0.100 11.946 3.567 1.00 43.33 C ATOM 1146 CG ARG A 73 0.306 11.882 5.048 1.00 13.00 C ATOM 1147 CD ARG A 73 1.349 10.801 5.342 1.00 40.02 C ATOM 1148 NE ARG A 73 1.590 10.634 6.776 1.00 73.40 N ATOM 1149 CZ ARG A 73 2.380 11.394 7.491 1.00 11.00 C ATOM 1150 NH1 ARG A 73 3.018 12.387 6.958 1.00 44.24 N ATOM 1151 NH2 ARG A 73 2.525 11.153 8.753 1.00 40.13 N ATOM 0 H ARG A 73 -0.475 12.966 1.333 1.00 72.13 H new ATOM 0 HA ARG A 73 1.744 12.928 3.052 1.00 33.21 H new ATOM 0 HB2 ARG A 73 -0.856 12.722 3.447 1.00 43.33 H new ATOM 0 HB3 ARG A 73 -0.568 11.000 3.294 1.00 43.33 H new ATOM 0 HG2 ARG A 73 0.701 12.851 5.352 1.00 13.00 H new ATOM 0 HG3 ARG A 73 -0.581 11.696 5.653 1.00 13.00 H new ATOM 0 HD2 ARG A 73 1.015 9.853 4.920 1.00 40.02 H new ATOM 0 HD3 ARG A 73 2.285 11.059 4.847 1.00 40.02 H new ATOM 0 HE ARG A 73 1.108 9.871 7.252 1.00 73.40 H new ATOM 0 HH11 ARG A 73 2.909 12.588 5.964 1.00 44.24 H new ATOM 0 HH12 ARG A 73 3.629 12.968 7.532 1.00 44.24 H new ATOM 0 HH21 ARG A 73 2.026 10.375 9.184 1.00 40.13 H new ATOM 0 HH22 ARG A 73 3.139 11.741 9.317 1.00 40.13 H new ATOM 1165 N GLN A 74 1.129 10.015 1.553 1.00 0.02 N ATOM 1166 CA GLN A 74 1.727 8.747 1.121 1.00 35.04 C ATOM 1167 C GLN A 74 2.844 8.986 0.088 1.00 21.34 C ATOM 1168 O GLN A 74 3.930 8.415 0.178 1.00 42.23 O ATOM 1169 CB GLN A 74 0.641 7.833 0.528 1.00 33.41 C ATOM 1170 CG GLN A 74 1.125 6.423 0.212 1.00 41.35 C ATOM 1171 CD GLN A 74 0.004 5.487 -0.208 1.00 23.31 C ATOM 1172 OE1 GLN A 74 -1.148 5.668 0.168 1.00 44.33 O ATOM 1173 NE2 GLN A 74 0.337 4.461 -0.964 1.00 31.20 N ATOM 0 H GLN A 74 0.154 10.131 1.276 1.00 0.02 H new ATOM 0 HA GLN A 74 2.170 8.261 1.990 1.00 35.04 H new ATOM 0 HB2 GLN A 74 -0.191 7.772 1.229 1.00 33.41 H new ATOM 0 HB3 GLN A 74 0.256 8.288 -0.385 1.00 33.41 H new ATOM 0 HG2 GLN A 74 1.868 6.470 -0.584 1.00 41.35 H new ATOM 0 HG3 GLN A 74 1.624 6.012 1.089 1.00 41.35 H new ATOM 0 HE21 GLN A 74 1.305 4.339 -1.260 1.00 31.20 H new ATOM 0 HE22 GLN A 74 -0.374 3.789 -1.253 1.00 31.20 H new ATOM 1182 N LYS A 75 2.555 9.850 -0.881 1.00 54.02 N ATOM 1183 CA LYS A 75 3.506 10.234 -1.936 1.00 5.24 C ATOM 1184 C LYS A 75 4.874 10.647 -1.366 1.00 14.01 C ATOM 1185 O LYS A 75 5.906 10.074 -1.724 1.00 53.41 O ATOM 1186 CB LYS A 75 2.895 11.396 -2.730 1.00 4.40 C ATOM 1187 CG LYS A 75 3.766 11.969 -3.842 1.00 2.24 C ATOM 1188 CD LYS A 75 3.098 13.198 -4.458 1.00 12.12 C ATOM 1189 CE LYS A 75 3.927 13.827 -5.567 1.00 22.21 C ATOM 1190 NZ LYS A 75 3.280 15.059 -6.102 1.00 15.43 N ATOM 0 H LYS A 75 1.649 10.311 -0.962 1.00 54.02 H new ATOM 0 HA LYS A 75 3.681 9.371 -2.579 1.00 5.24 H new ATOM 0 HB2 LYS A 75 1.956 11.058 -3.167 1.00 4.40 H new ATOM 0 HB3 LYS A 75 2.652 12.199 -2.034 1.00 4.40 H new ATOM 0 HG2 LYS A 75 4.744 12.239 -3.444 1.00 2.24 H new ATOM 0 HG3 LYS A 75 3.932 11.213 -4.610 1.00 2.24 H new ATOM 0 HD2 LYS A 75 2.123 12.915 -4.855 1.00 12.12 H new ATOM 0 HD3 LYS A 75 2.921 13.939 -3.678 1.00 12.12 H new ATOM 0 HE2 LYS A 75 4.919 14.072 -5.187 1.00 22.21 H new ATOM 0 HE3 LYS A 75 4.063 13.107 -6.374 1.00 22.21 H new ATOM 0 HZ1 LYS A 75 3.872 15.462 -6.856 1.00 15.43 H new ATOM 0 HZ2 LYS A 75 2.344 14.820 -6.487 1.00 15.43 H new ATOM 0 HZ3 LYS A 75 3.173 15.755 -5.337 1.00 15.43 H new ATOM 1204 N GLN A 76 4.872 11.637 -0.472 1.00 1.01 N ATOM 1205 CA GLN A 76 6.110 12.134 0.144 1.00 64.32 C ATOM 1206 C GLN A 76 6.829 11.027 0.933 1.00 3.13 C ATOM 1207 O GLN A 76 8.055 10.912 0.876 1.00 32.54 O ATOM 1208 CB GLN A 76 5.804 13.330 1.061 1.00 21.11 C ATOM 1209 CG GLN A 76 5.141 14.507 0.342 1.00 63.50 C ATOM 1210 CD GLN A 76 6.078 15.266 -0.590 1.00 2.23 C ATOM 1211 OE1 GLN A 76 7.051 14.724 -1.112 1.00 1.42 O ATOM 1212 NE2 GLN A 76 5.777 16.525 -0.831 1.00 1.34 N ATOM 0 H GLN A 76 4.027 12.113 -0.156 1.00 1.01 H new ATOM 0 HA GLN A 76 6.775 12.459 -0.656 1.00 64.32 H new ATOM 0 HB2 GLN A 76 5.154 12.998 1.870 1.00 21.11 H new ATOM 0 HB3 GLN A 76 6.733 13.672 1.518 1.00 21.11 H new ATOM 0 HG2 GLN A 76 4.292 14.137 -0.234 1.00 63.50 H new ATOM 0 HG3 GLN A 76 4.745 15.198 1.086 1.00 63.50 H new ATOM 0 HE21 GLN A 76 4.964 16.950 -0.384 1.00 1.34 H new ATOM 0 HE22 GLN A 76 6.357 17.076 -1.464 1.00 1.34 H new ATOM 1221 N LYS A 77 6.062 10.217 1.670 1.00 22.44 N ATOM 1222 CA LYS A 77 6.618 9.057 2.388 1.00 23.41 C ATOM 1223 C LYS A 77 7.380 8.127 1.431 1.00 2.44 C ATOM 1224 O LYS A 77 8.531 7.769 1.679 1.00 0.13 O ATOM 1225 CB LYS A 77 5.491 8.272 3.090 1.00 51.41 C ATOM 1226 CG LYS A 77 4.898 8.947 4.337 1.00 72.43 C ATOM 1227 CD LYS A 77 5.733 8.716 5.607 1.00 30.45 C ATOM 1228 CE LYS A 77 7.086 9.420 5.585 1.00 1.54 C ATOM 1229 NZ LYS A 77 7.850 9.189 6.840 1.00 22.12 N ATOM 0 H LYS A 77 5.056 10.340 1.787 1.00 22.44 H new ATOM 0 HA LYS A 77 7.317 9.430 3.136 1.00 23.41 H new ATOM 0 HB2 LYS A 77 4.688 8.102 2.373 1.00 51.41 H new ATOM 0 HB3 LYS A 77 5.876 7.293 3.376 1.00 51.41 H new ATOM 0 HG2 LYS A 77 4.813 10.019 4.156 1.00 72.43 H new ATOM 0 HG3 LYS A 77 3.888 8.570 4.500 1.00 72.43 H new ATOM 0 HD2 LYS A 77 5.167 9.062 6.472 1.00 30.45 H new ATOM 0 HD3 LYS A 77 5.892 7.646 5.738 1.00 30.45 H new ATOM 0 HE2 LYS A 77 7.667 9.063 4.735 1.00 1.54 H new ATOM 0 HE3 LYS A 77 6.936 10.490 5.442 1.00 1.54 H new ATOM 0 HZ1 LYS A 77 8.763 9.683 6.786 1.00 22.12 H new ATOM 0 HZ2 LYS A 77 7.307 9.552 7.649 1.00 22.12 H new ATOM 0 HZ3 LYS A 77 8.015 8.170 6.963 1.00 22.12 H new ATOM 1243 N LEU A 78 6.734 7.760 0.328 1.00 55.13 N ATOM 1244 CA LEU A 78 7.318 6.844 -0.656 1.00 14.24 C ATOM 1245 C LEU A 78 8.573 7.440 -1.321 1.00 2.24 C ATOM 1246 O LEU A 78 9.627 6.798 -1.366 1.00 25.32 O ATOM 1247 CB LEU A 78 6.270 6.484 -1.715 1.00 34.13 C ATOM 1248 CG LEU A 78 5.008 5.795 -1.169 1.00 63.42 C ATOM 1249 CD1 LEU A 78 4.001 5.547 -2.285 1.00 72.43 C ATOM 1250 CD2 LEU A 78 5.371 4.489 -0.464 1.00 50.12 C ATOM 0 H LEU A 78 5.797 8.085 0.089 1.00 55.13 H new ATOM 0 HA LEU A 78 7.629 5.941 -0.131 1.00 14.24 H new ATOM 0 HB2 LEU A 78 5.973 7.395 -2.235 1.00 34.13 H new ATOM 0 HB3 LEU A 78 6.732 5.830 -2.455 1.00 34.13 H new ATOM 0 HG LEU A 78 4.545 6.459 -0.439 1.00 63.42 H new ATOM 0 HD11 LEU A 78 3.117 5.059 -1.875 1.00 72.43 H new ATOM 0 HD12 LEU A 78 3.715 6.498 -2.735 1.00 72.43 H new ATOM 0 HD13 LEU A 78 4.450 4.907 -3.044 1.00 72.43 H new ATOM 0 HD21 LEU A 78 4.465 4.016 -0.085 1.00 50.12 H new ATOM 0 HD22 LEU A 78 5.862 3.819 -1.170 1.00 50.12 H new ATOM 0 HD23 LEU A 78 6.046 4.699 0.366 1.00 50.12 H new ATOM 1262 N GLU A 79 8.468 8.672 -1.830 1.00 71.42 N ATOM 1263 CA GLU A 79 9.624 9.345 -2.447 1.00 74.31 C ATOM 1264 C GLU A 79 10.737 9.607 -1.414 1.00 2.12 C ATOM 1265 O GLU A 79 11.903 9.800 -1.773 1.00 43.03 O ATOM 1266 CB GLU A 79 9.195 10.656 -3.138 1.00 14.23 C ATOM 1267 CG GLU A 79 8.221 10.439 -4.295 1.00 3.43 C ATOM 1268 CD GLU A 79 8.014 11.680 -5.153 1.00 50.53 C ATOM 1269 OE1 GLU A 79 7.106 12.480 -4.853 1.00 14.31 O ATOM 1270 OE2 GLU A 79 8.757 11.858 -6.145 1.00 31.13 O ATOM 0 H GLU A 79 7.608 9.220 -1.829 1.00 71.42 H new ATOM 0 HA GLU A 79 10.028 8.677 -3.208 1.00 74.31 H new ATOM 0 HB2 GLU A 79 8.732 11.312 -2.401 1.00 14.23 H new ATOM 0 HB3 GLU A 79 10.082 11.169 -3.510 1.00 14.23 H new ATOM 0 HG2 GLU A 79 8.590 9.629 -4.924 1.00 3.43 H new ATOM 0 HG3 GLU A 79 7.259 10.118 -3.895 1.00 3.43 H new ATOM 1277 N ALA A 80 10.374 9.612 -0.132 1.00 3.23 N ATOM 1278 CA ALA A 80 11.364 9.673 0.954 1.00 32.02 C ATOM 1279 C ALA A 80 12.063 8.315 1.141 1.00 62.04 C ATOM 1280 O ALA A 80 13.243 8.250 1.497 1.00 61.13 O ATOM 1281 CB ALA A 80 10.701 10.116 2.256 1.00 30.10 C ATOM 0 H ALA A 80 9.405 9.575 0.184 1.00 3.23 H new ATOM 0 HA ALA A 80 12.121 10.408 0.680 1.00 32.02 H new ATOM 0 HB1 ALA A 80 11.448 10.156 3.049 1.00 30.10 H new ATOM 0 HB2 ALA A 80 10.261 11.104 2.122 1.00 30.10 H new ATOM 0 HB3 ALA A 80 9.921 9.405 2.527 1.00 30.10 H new ATOM 1287 N GLU A 81 11.322 7.229 0.913 1.00 53.30 N ATOM 1288 CA GLU A 81 11.889 5.873 0.950 1.00 14.34 C ATOM 1289 C GLU A 81 12.746 5.603 -0.299 1.00 22.24 C ATOM 1290 O GLU A 81 13.655 4.774 -0.275 1.00 63.34 O ATOM 1291 CB GLU A 81 10.771 4.819 1.047 1.00 2.23 C ATOM 1292 CG GLU A 81 9.851 4.984 2.255 1.00 71.45 C ATOM 1293 CD GLU A 81 10.594 4.936 3.582 1.00 4.21 C ATOM 1294 OE1 GLU A 81 10.903 3.823 4.058 1.00 74.40 O ATOM 1295 OE2 GLU A 81 10.865 6.008 4.162 1.00 31.32 O ATOM 0 H GLU A 81 10.325 7.259 0.700 1.00 53.30 H new ATOM 0 HA GLU A 81 12.523 5.802 1.834 1.00 14.34 H new ATOM 0 HB2 GLU A 81 10.169 4.861 0.139 1.00 2.23 H new ATOM 0 HB3 GLU A 81 11.224 3.828 1.084 1.00 2.23 H new ATOM 0 HG2 GLU A 81 9.323 5.934 2.175 1.00 71.45 H new ATOM 0 HG3 GLU A 81 9.096 4.198 2.239 1.00 71.45 H new ATOM 1302 N GLY A 82 12.445 6.310 -1.388 1.00 53.53 N ATOM 1303 CA GLY A 82 13.184 6.134 -2.638 1.00 12.05 C ATOM 1304 C GLY A 82 12.319 5.591 -3.772 1.00 72.12 C ATOM 1305 O GLY A 82 12.825 4.982 -4.716 1.00 72.22 O ATOM 0 H GLY A 82 11.700 7.005 -1.430 1.00 53.53 H new ATOM 0 HA2 GLY A 82 13.610 7.091 -2.940 1.00 12.05 H new ATOM 0 HA3 GLY A 82 14.018 5.454 -2.467 1.00 12.05 H new ATOM 1309 N ILE A 83 11.011 5.813 -3.680 1.00 13.34 N ATOM 1310 CA ILE A 83 10.064 5.327 -4.689 1.00 74.40 C ATOM 1311 C ILE A 83 9.605 6.456 -5.626 1.00 1.24 C ATOM 1312 O ILE A 83 9.071 7.470 -5.179 1.00 71.10 O ATOM 1313 CB ILE A 83 8.828 4.685 -4.011 1.00 25.42 C ATOM 1314 CG1 ILE A 83 9.271 3.539 -3.086 1.00 2.45 C ATOM 1315 CG2 ILE A 83 7.826 4.187 -5.057 1.00 73.25 C ATOM 1316 CD1 ILE A 83 8.134 2.892 -2.326 1.00 31.10 C ATOM 0 H ILE A 83 10.577 6.329 -2.914 1.00 13.34 H new ATOM 0 HA ILE A 83 10.584 4.576 -5.284 1.00 74.40 H new ATOM 0 HB ILE A 83 8.328 5.444 -3.410 1.00 25.42 H new ATOM 0 HG12 ILE A 83 9.776 2.779 -3.682 1.00 2.45 H new ATOM 0 HG13 ILE A 83 10.001 3.922 -2.373 1.00 2.45 H new ATOM 0 HG21 ILE A 83 6.968 3.741 -4.555 1.00 73.25 H new ATOM 0 HG22 ILE A 83 7.493 5.025 -5.670 1.00 73.25 H new ATOM 0 HG23 ILE A 83 8.303 3.441 -5.692 1.00 73.25 H new ATOM 0 HD11 ILE A 83 8.526 2.094 -1.696 1.00 31.10 H new ATOM 0 HD12 ILE A 83 7.642 3.638 -1.702 1.00 31.10 H new ATOM 0 HD13 ILE A 83 7.414 2.477 -3.032 1.00 31.10 H new ATOM 1328 N GLU A 84 9.824 6.271 -6.923 1.00 25.43 N ATOM 1329 CA GLU A 84 9.388 7.235 -7.937 1.00 22.33 C ATOM 1330 C GLU A 84 7.852 7.271 -8.059 1.00 24.41 C ATOM 1331 O GLU A 84 7.241 6.378 -8.653 1.00 32.24 O ATOM 1332 CB GLU A 84 10.014 6.874 -9.290 1.00 51.52 C ATOM 1333 CG GLU A 84 9.603 7.786 -10.442 1.00 45.13 C ATOM 1334 CD GLU A 84 10.133 7.301 -11.781 1.00 41.35 C ATOM 1335 OE1 GLU A 84 9.565 6.337 -12.335 1.00 22.02 O ATOM 1336 OE2 GLU A 84 11.133 7.861 -12.278 1.00 55.11 O ATOM 0 H GLU A 84 10.305 5.456 -7.303 1.00 25.43 H new ATOM 0 HA GLU A 84 9.720 8.227 -7.630 1.00 22.33 H new ATOM 0 HB2 GLU A 84 11.099 6.900 -9.192 1.00 51.52 H new ATOM 0 HB3 GLU A 84 9.741 5.849 -9.540 1.00 51.52 H new ATOM 0 HG2 GLU A 84 8.515 7.846 -10.485 1.00 45.13 H new ATOM 0 HG3 GLU A 84 9.970 8.795 -10.252 1.00 45.13 H new ATOM 1343 N VAL A 85 7.234 8.293 -7.470 1.00 24.34 N ATOM 1344 CA VAL A 85 5.780 8.484 -7.563 1.00 75.33 C ATOM 1345 C VAL A 85 5.426 9.565 -8.601 1.00 55.24 C ATOM 1346 O VAL A 85 6.080 10.609 -8.677 1.00 11.14 O ATOM 1347 CB VAL A 85 5.172 8.880 -6.190 1.00 60.44 C ATOM 1348 CG1 VAL A 85 3.650 8.997 -6.275 1.00 23.02 C ATOM 1349 CG2 VAL A 85 5.580 7.880 -5.108 1.00 74.30 C ATOM 0 H VAL A 85 7.715 9.005 -6.921 1.00 24.34 H new ATOM 0 HA VAL A 85 5.356 7.531 -7.878 1.00 75.33 H new ATOM 0 HB VAL A 85 5.568 9.858 -5.917 1.00 60.44 H new ATOM 0 HG11 VAL A 85 3.251 9.275 -5.299 1.00 23.02 H new ATOM 0 HG12 VAL A 85 3.384 9.760 -7.007 1.00 23.02 H new ATOM 0 HG13 VAL A 85 3.228 8.039 -6.580 1.00 23.02 H new ATOM 0 HG21 VAL A 85 5.143 8.177 -4.155 1.00 74.30 H new ATOM 0 HG22 VAL A 85 5.222 6.886 -5.377 1.00 74.30 H new ATOM 0 HG23 VAL A 85 6.666 7.863 -5.019 1.00 74.30 H new ATOM 1359 N SER A 86 4.393 9.309 -9.403 1.00 61.14 N ATOM 1360 CA SER A 86 3.930 10.274 -10.411 1.00 21.00 C ATOM 1361 C SER A 86 2.829 11.185 -9.846 1.00 14.01 C ATOM 1362 O SER A 86 2.134 10.813 -8.898 1.00 21.52 O ATOM 1363 CB SER A 86 3.417 9.550 -11.661 1.00 24.42 C ATOM 1364 OG SER A 86 2.960 10.470 -12.639 1.00 54.43 O ATOM 0 H SER A 86 3.857 8.441 -9.377 1.00 61.14 H new ATOM 0 HA SER A 86 4.783 10.895 -10.686 1.00 21.00 H new ATOM 0 HB2 SER A 86 4.214 8.936 -12.081 1.00 24.42 H new ATOM 0 HB3 SER A 86 2.606 8.876 -11.386 1.00 24.42 H new ATOM 0 HG SER A 86 2.641 9.980 -13.425 1.00 54.43 H new ATOM 1370 N GLU A 87 2.653 12.351 -10.475 1.00 30.14 N ATOM 1371 CA GLU A 87 1.788 13.429 -9.959 1.00 44.54 C ATOM 1372 C GLU A 87 0.417 12.937 -9.452 1.00 42.21 C ATOM 1373 O GLU A 87 0.001 13.268 -8.341 1.00 41.31 O ATOM 1374 CB GLU A 87 1.578 14.485 -11.050 1.00 51.01 C ATOM 1375 CG GLU A 87 0.861 15.739 -10.562 1.00 42.52 C ATOM 1376 CD GLU A 87 1.663 16.502 -9.519 1.00 4.53 C ATOM 1377 OE1 GLU A 87 2.555 17.282 -9.906 1.00 1.23 O ATOM 1378 OE2 GLU A 87 1.418 16.317 -8.309 1.00 65.51 O ATOM 0 H GLU A 87 3.106 12.580 -11.360 1.00 30.14 H new ATOM 0 HA GLU A 87 2.305 13.853 -9.098 1.00 44.54 H new ATOM 0 HB2 GLU A 87 2.547 14.768 -11.460 1.00 51.01 H new ATOM 0 HB3 GLU A 87 1.004 14.043 -11.865 1.00 51.01 H new ATOM 0 HG2 GLU A 87 0.661 16.393 -11.411 1.00 42.52 H new ATOM 0 HG3 GLU A 87 -0.105 15.460 -10.140 1.00 42.52 H new ATOM 1385 N ILE A 88 -0.279 12.142 -10.259 1.00 73.23 N ATOM 1386 CA ILE A 88 -1.625 11.662 -9.898 1.00 51.24 C ATOM 1387 C ILE A 88 -1.585 10.495 -8.886 1.00 53.44 C ATOM 1388 O ILE A 88 -2.575 9.774 -8.707 1.00 34.03 O ATOM 1389 CB ILE A 88 -2.409 11.219 -11.161 1.00 12.33 C ATOM 1390 CG1 ILE A 88 -1.679 10.070 -11.882 1.00 11.53 C ATOM 1391 CG2 ILE A 88 -2.609 12.409 -12.102 1.00 1.34 C ATOM 1392 CD1 ILE A 88 -2.426 9.521 -13.082 1.00 13.33 C ATOM 0 H ILE A 88 0.057 11.813 -11.164 1.00 73.23 H new ATOM 0 HA ILE A 88 -2.134 12.501 -9.424 1.00 51.24 H new ATOM 0 HB ILE A 88 -3.388 10.853 -10.851 1.00 12.33 H new ATOM 0 HG12 ILE A 88 -0.700 10.422 -12.207 1.00 11.53 H new ATOM 0 HG13 ILE A 88 -1.507 9.261 -11.172 1.00 11.53 H new ATOM 0 HG21 ILE A 88 -3.160 12.086 -12.985 1.00 1.34 H new ATOM 0 HG22 ILE A 88 -3.171 13.189 -11.588 1.00 1.34 H new ATOM 0 HG23 ILE A 88 -1.638 12.801 -12.404 1.00 1.34 H new ATOM 0 HD11 ILE A 88 -1.847 8.716 -13.534 1.00 13.33 H new ATOM 0 HD12 ILE A 88 -3.394 9.136 -12.763 1.00 13.33 H new ATOM 0 HD13 ILE A 88 -2.575 10.316 -13.813 1.00 13.33 H new ATOM 1404 N GLY A 89 -0.452 10.338 -8.204 1.00 15.15 N ATOM 1405 CA GLY A 89 -0.264 9.223 -7.285 1.00 4.54 C ATOM 1406 C GLY A 89 -0.002 7.909 -8.010 1.00 3.43 C ATOM 1407 O GLY A 89 -0.337 6.839 -7.512 1.00 25.40 O ATOM 0 H GLY A 89 0.347 10.969 -8.272 1.00 15.15 H new ATOM 0 HA2 GLY A 89 0.572 9.441 -6.620 1.00 4.54 H new ATOM 0 HA3 GLY A 89 -1.150 9.119 -6.659 1.00 4.54 H new ATOM 1411 N LYS A 90 0.611 7.995 -9.188 1.00 75.53 N ATOM 1412 CA LYS A 90 0.833 6.815 -10.037 1.00 22.31 C ATOM 1413 C LYS A 90 2.215 6.181 -9.790 1.00 43.32 C ATOM 1414 O LYS A 90 3.252 6.821 -9.983 1.00 63.13 O ATOM 1415 CB LYS A 90 0.668 7.200 -11.515 1.00 63.14 C ATOM 1416 CG LYS A 90 1.097 6.118 -12.501 1.00 10.34 C ATOM 1417 CD LYS A 90 0.741 6.496 -13.936 1.00 72.51 C ATOM 1418 CE LYS A 90 1.450 5.611 -14.956 1.00 1.15 C ATOM 1419 NZ LYS A 90 2.920 5.862 -14.984 1.00 34.43 N ATOM 0 H LYS A 90 0.965 8.867 -9.581 1.00 75.53 H new ATOM 0 HA LYS A 90 0.086 6.065 -9.775 1.00 22.31 H new ATOM 0 HB2 LYS A 90 -0.378 7.448 -11.699 1.00 63.14 H new ATOM 0 HB3 LYS A 90 1.248 8.102 -11.710 1.00 63.14 H new ATOM 0 HG2 LYS A 90 2.172 5.958 -12.422 1.00 10.34 H new ATOM 0 HG3 LYS A 90 0.614 5.176 -12.241 1.00 10.34 H new ATOM 0 HD2 LYS A 90 -0.337 6.416 -14.075 1.00 72.51 H new ATOM 0 HD3 LYS A 90 1.008 7.538 -14.113 1.00 72.51 H new ATOM 0 HE2 LYS A 90 1.265 4.563 -14.718 1.00 1.15 H new ATOM 0 HE3 LYS A 90 1.032 5.792 -15.946 1.00 1.15 H new ATOM 0 HZ1 LYS A 90 3.328 5.442 -15.844 1.00 34.43 H new ATOM 0 HZ2 LYS A 90 3.097 6.887 -14.982 1.00 34.43 H new ATOM 0 HZ3 LYS A 90 3.362 5.432 -14.146 1.00 34.43 H new ATOM 1433 N ILE A 91 2.219 4.915 -9.374 1.00 34.44 N ATOM 1434 CA ILE A 91 3.457 4.200 -9.031 1.00 51.12 C ATOM 1435 C ILE A 91 3.773 3.092 -10.052 1.00 33.31 C ATOM 1436 O ILE A 91 2.896 2.314 -10.430 1.00 71.12 O ATOM 1437 CB ILE A 91 3.356 3.569 -7.619 1.00 54.22 C ATOM 1438 CG1 ILE A 91 3.010 4.644 -6.576 1.00 62.05 C ATOM 1439 CG2 ILE A 91 4.658 2.849 -7.249 1.00 44.44 C ATOM 1440 CD1 ILE A 91 2.804 4.096 -5.181 1.00 15.43 C ATOM 0 H ILE A 91 1.373 4.356 -9.264 1.00 34.44 H new ATOM 0 HA ILE A 91 4.262 4.935 -9.048 1.00 51.12 H new ATOM 0 HB ILE A 91 2.555 2.829 -7.629 1.00 54.22 H new ATOM 0 HG12 ILE A 91 3.810 5.384 -6.551 1.00 62.05 H new ATOM 0 HG13 ILE A 91 2.105 5.164 -6.890 1.00 62.05 H new ATOM 0 HG21 ILE A 91 4.563 2.414 -6.254 1.00 44.44 H new ATOM 0 HG22 ILE A 91 4.855 2.059 -7.973 1.00 44.44 H new ATOM 0 HG23 ILE A 91 5.483 3.562 -7.256 1.00 44.44 H new ATOM 0 HD11 ILE A 91 2.563 4.913 -4.501 1.00 15.43 H new ATOM 0 HD12 ILE A 91 1.984 3.378 -5.190 1.00 15.43 H new ATOM 0 HD13 ILE A 91 3.716 3.602 -4.846 1.00 15.43 H new ATOM 1452 N ALA A 92 5.031 3.020 -10.486 1.00 13.15 N ATOM 1453 CA ALA A 92 5.459 2.002 -11.451 1.00 41.01 C ATOM 1454 C ALA A 92 5.631 0.621 -10.789 1.00 63.10 C ATOM 1455 O ALA A 92 6.695 0.293 -10.252 1.00 62.01 O ATOM 1456 CB ALA A 92 6.752 2.441 -12.126 1.00 1.51 C ATOM 0 H ALA A 92 5.773 3.653 -10.186 1.00 13.15 H new ATOM 0 HA ALA A 92 4.678 1.901 -12.204 1.00 41.01 H new ATOM 0 HB1 ALA A 92 7.065 1.681 -12.842 1.00 1.51 H new ATOM 0 HB2 ALA A 92 6.588 3.384 -12.647 1.00 1.51 H new ATOM 0 HB3 ALA A 92 7.529 2.572 -11.373 1.00 1.51 H new ATOM 1462 N LEU A 93 4.574 -0.188 -10.840 1.00 74.44 N ATOM 1463 CA LEU A 93 4.558 -1.506 -10.187 1.00 45.14 C ATOM 1464 C LEU A 93 5.577 -2.480 -10.800 1.00 62.25 C ATOM 1465 O LEU A 93 6.125 -3.326 -10.101 1.00 31.34 O ATOM 1466 CB LEU A 93 3.152 -2.119 -10.260 1.00 52.42 C ATOM 1467 CG LEU A 93 2.058 -1.355 -9.494 1.00 22.12 C ATOM 1468 CD1 LEU A 93 0.704 -2.039 -9.666 1.00 40.12 C ATOM 1469 CD2 LEU A 93 2.421 -1.238 -8.015 1.00 22.44 C ATOM 0 H LEU A 93 3.710 0.044 -11.329 1.00 74.44 H new ATOM 0 HA LEU A 93 4.841 -1.346 -9.147 1.00 45.14 H new ATOM 0 HB2 LEU A 93 2.858 -2.187 -11.307 1.00 52.42 H new ATOM 0 HB3 LEU A 93 3.198 -3.138 -9.875 1.00 52.42 H new ATOM 0 HG LEU A 93 1.986 -0.349 -9.909 1.00 22.12 H new ATOM 0 HD11 LEU A 93 -0.056 -1.484 -9.117 1.00 40.12 H new ATOM 0 HD12 LEU A 93 0.441 -2.065 -10.724 1.00 40.12 H new ATOM 0 HD13 LEU A 93 0.759 -3.057 -9.280 1.00 40.12 H new ATOM 0 HD21 LEU A 93 1.636 -0.695 -7.489 1.00 22.44 H new ATOM 0 HD22 LEU A 93 2.523 -2.235 -7.585 1.00 22.44 H new ATOM 0 HD23 LEU A 93 3.364 -0.701 -7.913 1.00 22.44 H new ATOM 1481 N ARG A 94 5.835 -2.356 -12.097 1.00 63.41 N ATOM 1482 CA ARG A 94 6.718 -3.299 -12.799 1.00 35.23 C ATOM 1483 C ARG A 94 8.144 -3.323 -12.218 1.00 21.44 C ATOM 1484 O ARG A 94 8.827 -4.347 -12.281 1.00 54.30 O ATOM 1485 CB ARG A 94 6.768 -2.979 -14.298 1.00 12.30 C ATOM 1486 CG ARG A 94 5.434 -3.183 -15.013 1.00 20.03 C ATOM 1487 CD ARG A 94 5.539 -2.874 -16.502 1.00 30.53 C ATOM 1488 NE ARG A 94 4.290 -3.136 -17.213 1.00 13.14 N ATOM 1489 CZ ARG A 94 4.180 -3.180 -18.513 1.00 72.12 C ATOM 1490 NH1 ARG A 94 5.205 -2.941 -19.272 1.00 63.20 N ATOM 1491 NH2 ARG A 94 3.036 -3.446 -19.049 1.00 14.41 N ATOM 0 H ARG A 94 5.451 -1.618 -12.687 1.00 63.41 H new ATOM 0 HA ARG A 94 6.292 -4.292 -12.653 1.00 35.23 H new ATOM 0 HB2 ARG A 94 7.086 -1.945 -14.430 1.00 12.30 H new ATOM 0 HB3 ARG A 94 7.523 -3.608 -14.770 1.00 12.30 H new ATOM 0 HG2 ARG A 94 5.102 -4.212 -14.878 1.00 20.03 H new ATOM 0 HG3 ARG A 94 4.677 -2.542 -14.561 1.00 20.03 H new ATOM 0 HD2 ARG A 94 5.817 -1.829 -16.635 1.00 30.53 H new ATOM 0 HD3 ARG A 94 6.336 -3.474 -16.940 1.00 30.53 H new ATOM 0 HE ARG A 94 3.449 -3.295 -16.658 1.00 13.14 H new ATOM 0 HH11 ARG A 94 6.108 -2.716 -18.854 1.00 63.20 H new ATOM 0 HH12 ARG A 94 5.108 -2.978 -20.287 1.00 63.20 H new ATOM 0 HH21 ARG A 94 2.224 -3.620 -18.457 1.00 14.41 H new ATOM 0 HH22 ARG A 94 2.944 -3.482 -20.064 1.00 14.41 H new ATOM 1505 N LYS A 95 8.594 -2.201 -11.653 1.00 42.41 N ATOM 1506 CA LYS A 95 9.935 -2.132 -11.050 1.00 21.33 C ATOM 1507 C LYS A 95 9.886 -2.068 -9.510 1.00 42.04 C ATOM 1508 O LYS A 95 10.847 -2.452 -8.837 1.00 72.04 O ATOM 1509 CB LYS A 95 10.730 -0.945 -11.627 1.00 41.43 C ATOM 1510 CG LYS A 95 10.073 0.424 -11.450 1.00 51.13 C ATOM 1511 CD LYS A 95 10.881 1.523 -12.147 1.00 34.34 C ATOM 1512 CE LYS A 95 10.269 2.907 -11.950 1.00 61.31 C ATOM 1513 NZ LYS A 95 11.056 3.971 -12.635 1.00 40.30 N ATOM 0 H LYS A 95 8.059 -1.334 -11.598 1.00 42.41 H new ATOM 0 HA LYS A 95 10.451 -3.057 -11.309 1.00 21.33 H new ATOM 0 HB2 LYS A 95 11.713 -0.923 -11.156 1.00 41.43 H new ATOM 0 HB3 LYS A 95 10.891 -1.119 -12.691 1.00 41.43 H new ATOM 0 HG2 LYS A 95 9.062 0.400 -11.856 1.00 51.13 H new ATOM 0 HG3 LYS A 95 9.984 0.653 -10.388 1.00 51.13 H new ATOM 0 HD2 LYS A 95 11.900 1.521 -11.761 1.00 34.34 H new ATOM 0 HD3 LYS A 95 10.943 1.304 -13.213 1.00 34.34 H new ATOM 0 HE2 LYS A 95 9.248 2.909 -12.332 1.00 61.31 H new ATOM 0 HE3 LYS A 95 10.211 3.129 -10.884 1.00 61.31 H new ATOM 0 HZ1 LYS A 95 10.544 4.874 -12.576 1.00 40.30 H new ATOM 0 HZ2 LYS A 95 11.983 4.068 -12.174 1.00 40.30 H new ATOM 0 HZ3 LYS A 95 11.191 3.714 -13.634 1.00 40.30 H new ATOM 1527 N TYR A 96 8.772 -1.598 -8.945 1.00 5.23 N ATOM 1528 CA TYR A 96 8.616 -1.536 -7.481 1.00 24.43 C ATOM 1529 C TYR A 96 7.777 -2.705 -6.938 1.00 71.02 C ATOM 1530 O TYR A 96 7.402 -2.717 -5.765 1.00 15.32 O ATOM 1531 CB TYR A 96 7.994 -0.195 -7.068 1.00 5.42 C ATOM 1532 CG TYR A 96 8.903 0.990 -7.330 1.00 42.23 C ATOM 1533 CD1 TYR A 96 10.094 1.135 -6.628 1.00 10.51 C ATOM 1534 CD2 TYR A 96 8.578 1.955 -8.276 1.00 53.43 C ATOM 1535 CE1 TYR A 96 10.935 2.203 -6.862 1.00 61.02 C ATOM 1536 CE2 TYR A 96 9.414 3.027 -8.513 1.00 41.43 C ATOM 1537 CZ TYR A 96 10.591 3.145 -7.806 1.00 54.55 C ATOM 1538 OH TYR A 96 11.426 4.211 -8.046 1.00 22.30 O ATOM 0 H TYR A 96 7.967 -1.256 -9.470 1.00 5.23 H new ATOM 0 HA TYR A 96 9.611 -1.620 -7.044 1.00 24.43 H new ATOM 0 HB2 TYR A 96 7.058 -0.054 -7.609 1.00 5.42 H new ATOM 0 HB3 TYR A 96 7.747 -0.228 -6.007 1.00 5.42 H new ATOM 0 HD1 TYR A 96 10.366 0.398 -5.886 1.00 10.51 H new ATOM 0 HD2 TYR A 96 7.658 1.865 -8.834 1.00 53.43 H new ATOM 0 HE1 TYR A 96 11.857 2.300 -6.309 1.00 61.02 H new ATOM 0 HE2 TYR A 96 9.147 3.770 -9.249 1.00 41.43 H new ATOM 0 HH TYR A 96 11.335 4.494 -8.980 1.00 22.30 H new ATOM 1548 N LYS A 97 7.488 -3.681 -7.799 1.00 60.31 N ATOM 1549 CA LYS A 97 6.771 -4.895 -7.387 1.00 64.42 C ATOM 1550 C LYS A 97 7.499 -5.622 -6.246 1.00 34.31 C ATOM 1551 O LYS A 97 8.714 -5.836 -6.305 1.00 45.22 O ATOM 1552 CB LYS A 97 6.611 -5.858 -8.576 1.00 33.21 C ATOM 1553 CG LYS A 97 7.930 -6.212 -9.262 1.00 34.41 C ATOM 1554 CD LYS A 97 7.762 -7.288 -10.337 1.00 4.31 C ATOM 1555 CE LYS A 97 6.803 -6.863 -11.443 1.00 33.11 C ATOM 1556 NZ LYS A 97 6.764 -7.859 -12.544 1.00 72.13 N ATOM 0 H LYS A 97 7.738 -3.658 -8.788 1.00 60.31 H new ATOM 0 HA LYS A 97 5.789 -4.583 -7.031 1.00 64.42 H new ATOM 0 HB2 LYS A 97 6.135 -6.775 -8.228 1.00 33.21 H new ATOM 0 HB3 LYS A 97 5.940 -5.409 -9.308 1.00 33.21 H new ATOM 0 HG2 LYS A 97 8.353 -5.315 -9.714 1.00 34.41 H new ATOM 0 HG3 LYS A 97 8.643 -6.559 -8.514 1.00 34.41 H new ATOM 0 HD2 LYS A 97 8.735 -7.517 -10.772 1.00 4.31 H new ATOM 0 HD3 LYS A 97 7.395 -8.205 -9.875 1.00 4.31 H new ATOM 0 HE2 LYS A 97 5.802 -6.737 -11.030 1.00 33.11 H new ATOM 0 HE3 LYS A 97 7.109 -5.894 -11.838 1.00 33.11 H new ATOM 0 HZ1 LYS A 97 6.102 -7.538 -13.279 1.00 72.13 H new ATOM 0 HZ2 LYS A 97 7.714 -7.960 -12.954 1.00 72.13 H new ATOM 0 HZ3 LYS A 97 6.448 -8.777 -12.171 1.00 72.13 H new ATOM 1570 N TRP A 98 6.752 -5.998 -5.214 1.00 70.13 N ATOM 1571 CA TRP A 98 7.315 -6.768 -4.105 1.00 50.54 C ATOM 1572 C TRP A 98 7.336 -8.272 -4.424 1.00 42.34 C ATOM 1573 O TRP A 98 6.295 -8.886 -4.677 1.00 52.14 O ATOM 1574 CB TRP A 98 6.531 -6.525 -2.809 1.00 52.42 C ATOM 1575 CG TRP A 98 7.047 -7.336 -1.655 1.00 30.40 C ATOM 1576 CD1 TRP A 98 8.356 -7.553 -1.332 1.00 44.00 C ATOM 1577 CD2 TRP A 98 6.273 -8.037 -0.675 1.00 45.12 C ATOM 1578 NE1 TRP A 98 8.441 -8.351 -0.220 1.00 1.22 N ATOM 1579 CE2 TRP A 98 7.177 -8.654 0.207 1.00 72.34 C ATOM 1580 CE3 TRP A 98 4.902 -8.202 -0.454 1.00 55.44 C ATOM 1581 CZ2 TRP A 98 6.757 -9.421 1.291 1.00 55.14 C ATOM 1582 CZ3 TRP A 98 4.490 -8.964 0.623 1.00 73.05 C ATOM 1583 CH2 TRP A 98 5.413 -9.565 1.483 1.00 55.42 C ATOM 0 H TRP A 98 5.759 -5.785 -5.120 1.00 70.13 H new ATOM 0 HA TRP A 98 8.341 -6.427 -3.965 1.00 50.54 H new ATOM 0 HB2 TRP A 98 6.580 -5.466 -2.554 1.00 52.42 H new ATOM 0 HB3 TRP A 98 5.481 -6.765 -2.975 1.00 52.42 H new ATOM 0 HD1 TRP A 98 9.201 -7.154 -1.873 1.00 44.00 H new ATOM 0 HE1 TRP A 98 9.306 -8.667 0.218 1.00 1.22 H new ATOM 0 HE3 TRP A 98 4.179 -7.743 -1.112 1.00 55.44 H new ATOM 0 HZ2 TRP A 98 7.470 -9.886 1.956 1.00 55.14 H new ATOM 0 HZ3 TRP A 98 3.434 -9.098 0.804 1.00 73.05 H new ATOM 0 HH2 TRP A 98 5.057 -10.154 2.315 1.00 55.42 H new ATOM 1594 N GLN A 99 8.532 -8.852 -4.412 1.00 43.11 N ATOM 1595 CA GLN A 99 8.703 -10.291 -4.619 1.00 15.12 C ATOM 1596 C GLN A 99 9.111 -10.991 -3.314 1.00 20.00 C ATOM 1597 O GLN A 99 10.282 -10.984 -2.932 1.00 11.11 O ATOM 1598 CB GLN A 99 9.756 -10.549 -5.709 1.00 40.42 C ATOM 1599 CG GLN A 99 9.350 -10.036 -7.087 1.00 22.11 C ATOM 1600 CD GLN A 99 8.088 -10.702 -7.615 1.00 52.31 C ATOM 1601 OE1 GLN A 99 7.321 -9.975 -8.398 1.00 51.24 O flip ATOM 1602 NE2 GLN A 99 7.802 -11.857 -7.318 1.00 4.14 N flip ATOM 0 H GLN A 99 9.404 -8.346 -4.260 1.00 43.11 H new ATOM 0 HA GLN A 99 7.747 -10.703 -4.942 1.00 15.12 H new ATOM 0 HB2 GLN A 99 10.693 -10.075 -5.416 1.00 40.42 H new ATOM 0 HB3 GLN A 99 9.947 -11.620 -5.771 1.00 40.42 H new ATOM 0 HG2 GLN A 99 9.193 -8.959 -7.037 1.00 22.11 H new ATOM 0 HG3 GLN A 99 10.167 -10.207 -7.789 1.00 22.11 H new ATOM 0 HE21 GLN A 99 8.418 -12.394 -6.708 1.00 4.14 H new ATOM 0 HE22 GLN A 99 6.948 -12.280 -7.681 1.00 4.14 H new ATOM 1611 N PRO A 100 8.147 -11.613 -2.608 1.00 23.15 N ATOM 1612 CA PRO A 100 8.423 -12.334 -1.350 1.00 12.42 C ATOM 1613 C PRO A 100 9.152 -13.672 -1.579 1.00 60.44 C ATOM 1614 O PRO A 100 9.277 -14.490 -0.663 1.00 2.45 O ATOM 1615 CB PRO A 100 7.019 -12.566 -0.772 1.00 11.30 C ATOM 1616 CG PRO A 100 6.128 -12.628 -1.966 1.00 35.04 C ATOM 1617 CD PRO A 100 6.710 -11.656 -2.963 1.00 12.34 C ATOM 0 HA PRO A 100 9.086 -11.774 -0.691 1.00 12.42 H new ATOM 0 HB2 PRO A 100 6.975 -13.490 -0.196 1.00 11.30 H new ATOM 0 HB3 PRO A 100 6.728 -11.758 -0.101 1.00 11.30 H new ATOM 0 HG2 PRO A 100 6.094 -13.637 -2.377 1.00 35.04 H new ATOM 0 HG3 PRO A 100 5.105 -12.356 -1.705 1.00 35.04 H new ATOM 0 HD2 PRO A 100 6.560 -11.995 -3.988 1.00 12.34 H new ATOM 0 HD3 PRO A 100 6.247 -10.673 -2.882 1.00 12.34 H new