USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 ASN : amide:sc= -0.0297 X(o=-0.19,f=-0.16) USER MOD Set 1.2: A 72 ASN : amide:sc= -0.157 X(o=-0.19,f=-0.16) USER MOD Set 2.1: A 63 CYS SG : rot 56:sc= 0.371 USER MOD Set 2.2: A 69 THR OG1 : rot 100:sc= 1.08 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 54:sc= 0.133 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 8 HIS : no HE2:sc= 0.309 K(o=0.31,f=-1.3) USER MOD Single : A 11 GLN : amide:sc= -0.146 K(o=-0.15,f=-1) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 1.48 (180deg=1.47) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.401 K(o=-0.4,f=-1) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0957 USER MOD Single : A 47 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.33) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.591 K(o=-0.59,f=-7.1!) USER MOD Single : A 64 GLN : amide:sc= -0.0183 K(o=-0.018,f=-0.82) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -33:sc= 0.0988 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00198) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0232) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.491 -7.243 -3.384 1.00 0.00 N ATOM 2 CA ALA A 1 13.502 -7.701 -2.399 1.00 0.00 C ATOM 3 C ALA A 1 12.150 -7.038 -2.664 1.00 0.00 C ATOM 4 O ALA A 1 11.861 -6.009 -2.062 1.00 0.00 O ATOM 5 CB ALA A 1 14.004 -7.420 -0.976 1.00 0.00 C ATOM 0 H1 ALA A 1 15.406 -7.699 -3.195 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.170 -7.494 -4.341 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.598 -6.211 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 1 13.367 -8.778 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.263 -7.764 -0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.943 -7.948 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.163 -6.349 -0.851 1.00 0.00 H new ATOM 11 N LEU A 2 11.389 -7.566 -3.634 1.00 0.00 N ATOM 12 CA LEU A 2 10.060 -7.156 -4.079 1.00 0.00 C ATOM 13 C LEU A 2 9.392 -8.364 -4.722 1.00 0.00 C ATOM 14 O LEU A 2 9.893 -8.839 -5.746 1.00 0.00 O ATOM 15 CB LEU A 2 10.072 -6.079 -5.179 1.00 0.00 C ATOM 16 CG LEU A 2 10.698 -4.758 -4.744 1.00 0.00 C ATOM 17 CD1 LEU A 2 12.140 -4.683 -5.253 1.00 0.00 C ATOM 18 CD2 LEU A 2 9.887 -3.571 -5.256 1.00 0.00 C ATOM 0 H LEU A 2 11.725 -8.364 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 2 9.553 -6.760 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.617 -6.461 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.048 -5.895 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 2 10.698 -4.713 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.587 -3.739 -4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.716 -5.511 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 2 12.145 -4.746 -6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.356 -2.642 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.851 -3.598 -6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.874 -3.624 -4.858 1.00 0.00 H new ATOM 30 N THR A 3 8.282 -8.849 -4.178 1.00 0.00 N ATOM 31 CA THR A 3 7.554 -9.981 -4.741 1.00 0.00 C ATOM 32 C THR A 3 6.062 -9.639 -4.748 1.00 0.00 C ATOM 33 O THR A 3 5.557 -8.981 -3.837 1.00 0.00 O ATOM 34 CB THR A 3 7.872 -11.272 -3.968 1.00 0.00 C ATOM 35 OG1 THR A 3 9.252 -11.591 -4.057 1.00 0.00 O ATOM 36 CG2 THR A 3 7.091 -12.461 -4.518 1.00 0.00 C ATOM 0 H THR A 3 7.860 -8.467 -3.331 1.00 0.00 H new ATOM 0 HA THR A 3 7.867 -10.167 -5.769 1.00 0.00 H new ATOM 0 HB THR A 3 7.588 -11.087 -2.932 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.430 -12.415 -3.557 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.341 -13.356 -3.948 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.022 -12.264 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.351 -12.614 -5.565 1.00 0.00 H new ATOM 44 N THR A 4 5.377 -10.072 -5.801 1.00 0.00 N ATOM 45 CA THR A 4 3.961 -9.906 -6.068 1.00 0.00 C ATOM 46 C THR A 4 3.206 -11.013 -5.328 1.00 0.00 C ATOM 47 O THR A 4 2.834 -12.046 -5.896 1.00 0.00 O ATOM 48 CB THR A 4 3.763 -9.953 -7.597 1.00 0.00 C ATOM 49 OG1 THR A 4 4.638 -10.920 -8.160 1.00 0.00 O ATOM 50 CG2 THR A 4 4.094 -8.592 -8.215 1.00 0.00 C ATOM 0 H THR A 4 5.840 -10.590 -6.548 1.00 0.00 H new ATOM 0 HA THR A 4 3.571 -8.952 -5.712 1.00 0.00 H new ATOM 0 HB THR A 4 2.724 -10.211 -7.804 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.504 -11.782 -7.714 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.950 -8.638 -9.295 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.437 -7.831 -7.794 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.131 -8.336 -7.998 1.00 0.00 H new ATOM 58 N ILE A 5 3.000 -10.822 -4.033 1.00 0.00 N ATOM 59 CA ILE A 5 2.298 -11.783 -3.182 1.00 0.00 C ATOM 60 C ILE A 5 0.805 -11.591 -3.473 1.00 0.00 C ATOM 61 O ILE A 5 0.389 -10.515 -3.917 1.00 0.00 O ATOM 62 CB ILE A 5 2.677 -11.589 -1.691 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.702 -12.299 -0.724 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.786 -10.105 -1.331 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.039 -12.109 0.753 1.00 0.00 C ATOM 0 H ILE A 5 3.317 -9.990 -3.535 1.00 0.00 H new ATOM 0 HA ILE A 5 2.581 -12.813 -3.398 1.00 0.00 H new ATOM 0 HB ILE A 5 3.654 -12.057 -1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.693 -11.929 -0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.696 -13.365 -0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.053 -10.004 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.554 -9.637 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.829 -9.616 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.308 -12.638 1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.034 -12.506 0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.016 -11.047 0.998 1.00 0.00 H new ATOM 77 N SER A 6 0.007 -12.647 -3.330 1.00 0.00 N ATOM 78 CA SER A 6 -1.411 -12.540 -3.592 1.00 0.00 C ATOM 79 C SER A 6 -2.108 -11.706 -2.516 1.00 0.00 C ATOM 80 O SER A 6 -1.686 -11.714 -1.358 1.00 0.00 O ATOM 81 CB SER A 6 -2.024 -13.931 -3.724 1.00 0.00 C ATOM 82 OG SER A 6 -1.552 -14.851 -2.757 1.00 0.00 O ATOM 0 H SER A 6 0.321 -13.572 -3.037 1.00 0.00 H new ATOM 0 HA SER A 6 -1.557 -12.018 -4.538 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.108 -13.851 -3.639 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.810 -14.321 -4.719 1.00 0.00 H new ATOM 0 HG SER A 6 -1.983 -15.720 -2.895 1.00 0.00 H new ATOM 88 N PRO A 7 -3.214 -11.025 -2.852 1.00 0.00 N ATOM 89 CA PRO A 7 -3.951 -10.211 -1.894 1.00 0.00 C ATOM 90 C PRO A 7 -4.520 -11.069 -0.770 1.00 0.00 C ATOM 91 O PRO A 7 -4.682 -10.613 0.355 1.00 0.00 O ATOM 92 CB PRO A 7 -5.029 -9.495 -2.711 1.00 0.00 C ATOM 93 CG PRO A 7 -5.229 -10.425 -3.910 1.00 0.00 C ATOM 94 CD PRO A 7 -3.823 -10.941 -4.167 1.00 0.00 C ATOM 0 HA PRO A 7 -3.315 -9.484 -1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.949 -9.368 -2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.707 -8.501 -3.021 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.923 -11.235 -3.684 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.630 -9.893 -4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.842 -11.914 -4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.267 -10.267 -4.818 1.00 0.00 H new ATOM 102 N HIS A 8 -4.822 -12.318 -1.087 1.00 0.00 N ATOM 103 CA HIS A 8 -5.368 -13.329 -0.205 1.00 0.00 C ATOM 104 C HIS A 8 -4.368 -13.626 0.901 1.00 0.00 C ATOM 105 O HIS A 8 -4.693 -13.558 2.084 1.00 0.00 O ATOM 106 CB HIS A 8 -5.685 -14.581 -1.039 1.00 0.00 C ATOM 107 CG HIS A 8 -6.086 -15.775 -0.211 1.00 0.00 C ATOM 108 ND1 HIS A 8 -5.228 -16.677 0.381 1.00 0.00 N ATOM 109 CD2 HIS A 8 -7.366 -16.161 0.076 1.00 0.00 C ATOM 110 CE1 HIS A 8 -5.982 -17.591 1.013 1.00 0.00 C ATOM 111 NE2 HIS A 8 -7.293 -17.320 0.857 1.00 0.00 N ATOM 0 H HIS A 8 -4.681 -12.673 -2.033 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.288 -12.983 0.266 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.489 -14.348 -1.737 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.810 -14.841 -1.635 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -4.209 -16.654 0.346 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.269 -15.662 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.591 -18.429 1.571 1.00 0.00 H new ATOM 119 N ASP A 9 -3.134 -13.939 0.510 1.00 0.00 N ATOM 120 CA ASP A 9 -2.087 -14.263 1.463 1.00 0.00 C ATOM 121 C ASP A 9 -1.722 -13.033 2.285 1.00 0.00 C ATOM 122 O ASP A 9 -1.495 -13.131 3.490 1.00 0.00 O ATOM 123 CB ASP A 9 -0.864 -14.862 0.750 1.00 0.00 C ATOM 124 CG ASP A 9 -1.014 -16.357 0.456 1.00 0.00 C ATOM 125 OD1 ASP A 9 -2.140 -16.904 0.537 1.00 0.00 O ATOM 126 OD2 ASP A 9 0.012 -17.012 0.158 1.00 0.00 O ATOM 0 H ASP A 9 -2.839 -13.974 -0.466 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.459 -15.022 2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.699 -14.328 -0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.021 -14.706 1.366 1.00 0.00 H new ATOM 131 N ALA A 10 -1.707 -11.873 1.635 1.00 0.00 N ATOM 132 CA ALA A 10 -1.393 -10.576 2.202 1.00 0.00 C ATOM 133 C ALA A 10 -2.456 -10.029 3.154 1.00 0.00 C ATOM 134 O ALA A 10 -2.120 -9.232 4.027 1.00 0.00 O ATOM 135 CB ALA A 10 -1.233 -9.635 1.010 1.00 0.00 C ATOM 0 H ALA A 10 -1.927 -11.816 0.641 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.494 -10.665 2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.994 -8.633 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.428 -9.994 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.163 -9.606 0.442 1.00 0.00 H new ATOM 141 N GLN A 11 -3.715 -10.443 3.021 1.00 0.00 N ATOM 142 CA GLN A 11 -4.809 -9.992 3.876 1.00 0.00 C ATOM 143 C GLN A 11 -4.598 -10.438 5.330 1.00 0.00 C ATOM 144 O GLN A 11 -5.198 -9.887 6.253 1.00 0.00 O ATOM 145 CB GLN A 11 -6.095 -10.572 3.271 1.00 0.00 C ATOM 146 CG GLN A 11 -7.408 -10.244 3.992 1.00 0.00 C ATOM 147 CD GLN A 11 -8.140 -11.465 4.560 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.019 -12.591 4.078 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.924 -11.277 5.606 1.00 0.00 N ATOM 0 H GLN A 11 -4.007 -11.110 2.307 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.864 -8.904 3.913 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.175 -10.220 2.243 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.992 -11.656 3.230 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.198 -9.550 4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.071 -9.729 3.297 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.025 -10.344 6.006 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.428 -12.064 6.013 1.00 0.00 H new ATOM 158 N GLU A 12 -3.752 -11.440 5.536 1.00 0.00 N ATOM 159 CA GLU A 12 -3.421 -12.016 6.807 1.00 0.00 C ATOM 160 C GLU A 12 -2.418 -11.110 7.528 1.00 0.00 C ATOM 161 O GLU A 12 -2.766 -10.476 8.519 1.00 0.00 O ATOM 162 CB GLU A 12 -2.874 -13.416 6.496 1.00 0.00 C ATOM 163 CG GLU A 12 -2.764 -14.290 7.736 1.00 0.00 C ATOM 164 CD GLU A 12 -2.064 -15.625 7.438 1.00 0.00 C ATOM 165 OE1 GLU A 12 -2.501 -16.690 7.923 1.00 0.00 O ATOM 166 OE2 GLU A 12 -1.032 -15.627 6.733 1.00 0.00 O ATOM 0 H GLU A 12 -3.256 -11.889 4.766 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.273 -12.104 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.524 -13.903 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.892 -13.324 6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.212 -13.755 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.761 -14.484 8.133 1.00 0.00 H new ATOM 173 N LEU A 13 -1.185 -11.007 7.016 1.00 0.00 N ATOM 174 CA LEU A 13 -0.079 -10.226 7.573 1.00 0.00 C ATOM 175 C LEU A 13 -0.424 -8.782 7.930 1.00 0.00 C ATOM 176 O LEU A 13 0.012 -8.274 8.969 1.00 0.00 O ATOM 177 CB LEU A 13 1.161 -10.332 6.656 1.00 0.00 C ATOM 178 CG LEU A 13 0.957 -9.994 5.167 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.116 -8.517 4.807 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.943 -10.770 4.295 1.00 0.00 C ATOM 0 H LEU A 13 -0.921 -11.492 6.158 1.00 0.00 H new ATOM 0 HA LEU A 13 0.155 -10.674 8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.933 -9.672 7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.547 -11.349 6.723 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.079 -10.275 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.953 -8.384 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.386 -7.927 5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.122 -8.186 5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.781 -10.516 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.963 -10.509 4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.790 -11.840 4.436 1.00 0.00 H new ATOM 192 N ILE A 14 -1.244 -8.132 7.110 1.00 0.00 N ATOM 193 CA ILE A 14 -1.662 -6.747 7.284 1.00 0.00 C ATOM 194 C ILE A 14 -2.402 -6.570 8.608 1.00 0.00 C ATOM 195 O ILE A 14 -2.111 -5.658 9.382 1.00 0.00 O ATOM 196 CB ILE A 14 -2.467 -6.351 6.017 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.823 -5.152 5.299 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.988 -6.191 6.187 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.999 -5.292 3.786 1.00 0.00 C ATOM 0 H ILE A 14 -1.648 -8.569 6.281 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.817 -6.063 7.365 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.395 -7.228 5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.280 -4.224 5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.763 -5.096 5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.434 -5.914 5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.417 -7.133 6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.192 -5.413 6.922 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.540 -4.439 3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.521 -6.211 3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.061 -5.326 3.545 1.00 0.00 H new ATOM 211 N ALA A 15 -3.328 -7.489 8.885 1.00 0.00 N ATOM 212 CA ALA A 15 -4.159 -7.517 10.071 1.00 0.00 C ATOM 213 C ALA A 15 -3.426 -8.090 11.288 1.00 0.00 C ATOM 214 O ALA A 15 -4.050 -8.279 12.337 1.00 0.00 O ATOM 215 CB ALA A 15 -5.406 -8.341 9.745 1.00 0.00 C ATOM 0 H ALA A 15 -3.521 -8.267 8.254 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.430 -6.497 10.342 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.054 -8.382 10.620 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.942 -7.877 8.917 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.111 -9.352 9.465 1.00 0.00 H new ATOM 221 N ARG A 16 -2.134 -8.407 11.152 1.00 0.00 N ATOM 222 CA ARG A 16 -1.311 -8.957 12.229 1.00 0.00 C ATOM 223 C ARG A 16 -0.317 -7.924 12.730 1.00 0.00 C ATOM 224 O ARG A 16 -0.185 -7.736 13.939 1.00 0.00 O ATOM 225 CB ARG A 16 -0.551 -10.196 11.749 1.00 0.00 C ATOM 226 CG ARG A 16 -1.462 -11.380 11.427 1.00 0.00 C ATOM 227 CD ARG A 16 -0.613 -12.472 10.756 1.00 0.00 C ATOM 228 NE ARG A 16 -1.091 -13.831 11.044 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.710 -14.917 10.359 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.320 -14.865 9.514 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.403 -16.037 10.502 1.00 0.00 N ATOM 0 H ARG A 16 -1.625 -8.286 10.276 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.978 -9.237 13.045 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.025 -9.938 10.860 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.163 -10.495 12.516 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.923 -11.763 12.337 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.271 -11.068 10.766 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.614 -12.314 9.678 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.420 -12.378 11.091 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.752 -13.955 11.811 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.828 -13.991 9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.600 -15.700 8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.210 -16.061 11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.129 -16.875 9.989 1.00 0.00 H new ATOM 245 N GLY A 17 0.387 -7.267 11.809 1.00 0.00 N ATOM 246 CA GLY A 17 1.378 -6.264 12.160 1.00 0.00 C ATOM 247 C GLY A 17 2.178 -5.752 10.968 1.00 0.00 C ATOM 248 O GLY A 17 2.854 -4.733 11.114 1.00 0.00 O ATOM 0 H GLY A 17 0.284 -7.417 10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.877 -5.423 12.639 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.065 -6.686 12.894 1.00 0.00 H new ATOM 252 N ALA A 18 2.166 -6.430 9.810 1.00 0.00 N ATOM 253 CA ALA A 18 2.896 -5.948 8.641 1.00 0.00 C ATOM 254 C ALA A 18 2.234 -4.624 8.233 1.00 0.00 C ATOM 255 O ALA A 18 1.037 -4.421 8.475 1.00 0.00 O ATOM 256 CB ALA A 18 2.869 -6.992 7.529 1.00 0.00 C ATOM 0 H ALA A 18 1.662 -7.305 9.664 1.00 0.00 H new ATOM 0 HA ALA A 18 3.951 -5.779 8.857 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.417 -6.617 6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.334 -7.912 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.836 -7.193 7.244 1.00 0.00 H new ATOM 262 N LYS A 19 2.993 -3.695 7.646 1.00 0.00 N ATOM 263 CA LYS A 19 2.458 -2.382 7.263 1.00 0.00 C ATOM 264 C LYS A 19 2.375 -2.204 5.762 1.00 0.00 C ATOM 265 O LYS A 19 3.180 -2.753 5.017 1.00 0.00 O ATOM 266 CB LYS A 19 3.296 -1.280 7.949 1.00 0.00 C ATOM 267 CG LYS A 19 2.698 -0.642 9.230 1.00 0.00 C ATOM 268 CD LYS A 19 1.834 -1.567 10.117 1.00 0.00 C ATOM 269 CE LYS A 19 0.318 -1.463 9.823 1.00 0.00 C ATOM 270 NZ LYS A 19 -0.451 -2.704 10.107 1.00 0.00 N ATOM 0 H LYS A 19 3.980 -3.826 7.425 1.00 0.00 H new ATOM 0 HA LYS A 19 1.428 -2.306 7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.269 -1.701 8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.471 -0.485 7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.519 -0.257 9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.091 0.214 8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.154 -2.599 9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.011 -1.322 11.164 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.099 -0.648 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.181 -1.198 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.462 -2.534 9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.116 -3.469 9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.313 -2.978 11.101 1.00 0.00 H new ATOM 284 N LEU A 20 1.402 -1.430 5.302 1.00 0.00 N ATOM 285 CA LEU A 20 1.207 -1.136 3.895 1.00 0.00 C ATOM 286 C LEU A 20 1.261 0.378 3.778 1.00 0.00 C ATOM 287 O LEU A 20 0.705 1.091 4.618 1.00 0.00 O ATOM 288 CB LEU A 20 -0.111 -1.749 3.408 1.00 0.00 C ATOM 289 CG LEU A 20 -0.587 -1.198 2.057 1.00 0.00 C ATOM 290 CD1 LEU A 20 0.332 -1.511 0.890 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.957 -1.774 1.734 1.00 0.00 C ATOM 0 H LEU A 20 0.716 -0.982 5.909 1.00 0.00 H new ATOM 0 HA LEU A 20 1.974 -1.574 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.009 -2.829 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.883 -1.569 4.156 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.604 -0.114 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.082 -1.084 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.317 -1.083 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.422 -2.591 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.298 -1.385 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.892 -2.861 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.664 -1.490 2.513 1.00 0.00 H new ATOM 303 N ILE A 21 1.963 0.872 2.767 1.00 0.00 N ATOM 304 CA ILE A 21 2.096 2.297 2.516 1.00 0.00 C ATOM 305 C ILE A 21 1.056 2.656 1.455 1.00 0.00 C ATOM 306 O ILE A 21 0.566 1.784 0.730 1.00 0.00 O ATOM 307 CB ILE A 21 3.560 2.608 2.112 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.588 1.969 3.076 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.815 4.121 2.053 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.337 2.266 4.559 1.00 0.00 C ATOM 0 H ILE A 21 2.459 0.288 2.094 1.00 0.00 H new ATOM 0 HA ILE A 21 1.902 2.910 3.396 1.00 0.00 H new ATOM 0 HB ILE A 21 3.694 2.172 1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.583 0.889 2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.584 2.322 2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.851 4.305 1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.150 4.574 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.626 4.560 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.104 1.780 5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.373 3.343 4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.356 1.887 4.845 1.00 0.00 H new ATOM 322 N ASP A 22 0.750 3.937 1.296 1.00 0.00 N ATOM 323 CA ASP A 22 -0.215 4.438 0.328 1.00 0.00 C ATOM 324 C ASP A 22 0.459 5.553 -0.474 1.00 0.00 C ATOM 325 O ASP A 22 0.290 6.744 -0.192 1.00 0.00 O ATOM 326 CB ASP A 22 -1.476 4.859 1.085 1.00 0.00 C ATOM 327 CG ASP A 22 -2.599 5.321 0.181 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.680 5.680 0.706 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.425 5.278 -1.047 1.00 0.00 O ATOM 0 H ASP A 22 1.179 4.676 1.853 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.533 3.687 -0.395 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.826 4.020 1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.223 5.663 1.777 1.00 0.00 H new ATOM 334 N ILE A 23 1.252 5.163 -1.483 1.00 0.00 N ATOM 335 CA ILE A 23 2.000 6.098 -2.325 1.00 0.00 C ATOM 336 C ILE A 23 1.208 6.665 -3.527 1.00 0.00 C ATOM 337 O ILE A 23 1.802 6.964 -4.568 1.00 0.00 O ATOM 338 CB ILE A 23 3.312 5.397 -2.797 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.049 4.225 -3.778 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.208 4.855 -1.663 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.748 4.455 -5.117 1.00 0.00 C ATOM 0 H ILE A 23 1.391 4.185 -1.736 1.00 0.00 H new ATOM 0 HA ILE A 23 2.221 6.973 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 23 3.842 6.208 -3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.401 3.293 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.976 4.116 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.094 4.386 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.510 5.677 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.653 4.118 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.544 3.616 -5.783 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.376 5.375 -5.568 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.823 4.538 -4.957 1.00 0.00 H new ATOM 353 N ARG A 24 -0.098 6.941 -3.408 1.00 0.00 N ATOM 354 CA ARG A 24 -0.884 7.501 -4.528 1.00 0.00 C ATOM 355 C ARG A 24 -1.129 8.970 -4.255 1.00 0.00 C ATOM 356 O ARG A 24 -0.363 9.777 -4.784 1.00 0.00 O ATOM 357 CB ARG A 24 -2.174 6.735 -4.915 1.00 0.00 C ATOM 358 CG ARG A 24 -2.823 6.091 -3.703 1.00 0.00 C ATOM 359 CD ARG A 24 -4.318 5.741 -3.745 1.00 0.00 C ATOM 360 NE ARG A 24 -4.798 5.756 -2.360 1.00 0.00 N ATOM 361 CZ ARG A 24 -6.018 5.619 -1.839 1.00 0.00 C ATOM 362 NH1 ARG A 24 -7.094 5.415 -2.591 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.154 5.713 -0.524 1.00 0.00 N ATOM 0 H ARG A 24 -0.635 6.788 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.280 7.374 -5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.879 7.421 -5.385 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.936 5.968 -5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.278 5.172 -3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.667 6.758 -2.855 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.866 6.462 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.473 4.761 -4.197 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.063 5.897 -1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.004 5.358 -3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.010 5.315 -2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.337 5.886 0.062 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.075 5.612 -0.098 1.00 0.00 H new ATOM 377 N ASP A 25 -2.148 9.335 -3.471 1.00 0.00 N ATOM 378 CA ASP A 25 -2.446 10.737 -3.204 1.00 0.00 C ATOM 379 C ASP A 25 -3.496 10.910 -2.117 1.00 0.00 C ATOM 380 O ASP A 25 -4.274 9.991 -1.849 1.00 0.00 O ATOM 381 CB ASP A 25 -3.058 11.326 -4.475 1.00 0.00 C ATOM 382 CG ASP A 25 -2.625 12.765 -4.708 1.00 0.00 C ATOM 383 OD1 ASP A 25 -1.403 13.005 -4.878 1.00 0.00 O ATOM 384 OD2 ASP A 25 -3.509 13.628 -4.865 1.00 0.00 O ATOM 0 H ASP A 25 -2.777 8.676 -3.012 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.520 11.220 -2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.767 10.718 -5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.145 11.282 -4.407 1.00 0.00 H new ATOM 389 N ALA A 26 -3.570 12.119 -1.565 1.00 0.00 N ATOM 390 CA ALA A 26 -4.520 12.486 -0.521 1.00 0.00 C ATOM 391 C ALA A 26 -5.930 12.689 -1.085 1.00 0.00 C ATOM 392 O ALA A 26 -6.902 12.617 -0.333 1.00 0.00 O ATOM 393 CB ALA A 26 -4.069 13.780 0.163 1.00 0.00 C ATOM 0 H ALA A 26 -2.957 12.887 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.549 11.667 0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.783 14.048 0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.085 13.632 0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.017 14.582 -0.573 1.00 0.00 H new ATOM 399 N ASP A 27 -6.058 12.969 -2.387 1.00 0.00 N ATOM 400 CA ASP A 27 -7.355 13.173 -3.036 1.00 0.00 C ATOM 401 C ASP A 27 -8.023 11.820 -3.298 1.00 0.00 C ATOM 402 O ASP A 27 -9.249 11.712 -3.341 1.00 0.00 O ATOM 403 CB ASP A 27 -7.181 13.997 -4.329 1.00 0.00 C ATOM 404 CG ASP A 27 -8.070 15.239 -4.365 1.00 0.00 C ATOM 405 OD1 ASP A 27 -8.494 15.672 -5.465 1.00 0.00 O ATOM 406 OD2 ASP A 27 -8.308 15.853 -3.301 1.00 0.00 O ATOM 0 H ASP A 27 -5.263 13.060 -3.020 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.010 13.742 -2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.138 14.300 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.410 13.367 -5.189 1.00 0.00 H new ATOM 411 N GLU A 28 -7.221 10.761 -3.448 1.00 0.00 N ATOM 412 CA GLU A 28 -7.691 9.401 -3.676 1.00 0.00 C ATOM 413 C GLU A 28 -8.242 8.866 -2.355 1.00 0.00 C ATOM 414 O GLU A 28 -9.355 8.340 -2.318 1.00 0.00 O ATOM 415 CB GLU A 28 -6.540 8.516 -4.152 1.00 0.00 C ATOM 416 CG GLU A 28 -6.060 8.861 -5.559 1.00 0.00 C ATOM 417 CD GLU A 28 -7.123 8.525 -6.608 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.669 9.459 -7.237 1.00 0.00 O ATOM 419 OE2 GLU A 28 -7.478 7.331 -6.737 1.00 0.00 O ATOM 0 H GLU A 28 -6.204 10.833 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.465 9.396 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.706 8.611 -3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.858 7.474 -4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.816 9.922 -5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.144 8.312 -5.778 1.00 0.00 H new ATOM 426 N TYR A 29 -7.469 9.071 -1.282 1.00 0.00 N ATOM 427 CA TYR A 29 -7.734 8.691 0.111 1.00 0.00 C ATOM 428 C TYR A 29 -9.059 9.271 0.648 1.00 0.00 C ATOM 429 O TYR A 29 -9.539 8.850 1.703 1.00 0.00 O ATOM 430 CB TYR A 29 -6.514 9.146 0.937 1.00 0.00 C ATOM 431 CG TYR A 29 -6.544 8.892 2.436 1.00 0.00 C ATOM 432 CD1 TYR A 29 -5.965 7.735 2.991 1.00 0.00 C ATOM 433 CD2 TYR A 29 -7.115 9.852 3.292 1.00 0.00 C ATOM 434 CE1 TYR A 29 -5.941 7.550 4.389 1.00 0.00 C ATOM 435 CE2 TYR A 29 -7.105 9.667 4.684 1.00 0.00 C ATOM 436 CZ TYR A 29 -6.494 8.527 5.248 1.00 0.00 C ATOM 437 OH TYR A 29 -6.453 8.362 6.600 1.00 0.00 O ATOM 0 H TYR A 29 -6.570 9.545 -1.373 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.865 7.612 0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.631 8.654 0.531 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.383 10.217 0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.537 6.985 2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.566 10.740 2.874 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.498 6.657 4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.568 10.401 5.327 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.878 9.130 7.036 1.00 0.00 H new ATOM 447 N LEU A 30 -9.656 10.234 -0.057 1.00 0.00 N ATOM 448 CA LEU A 30 -10.899 10.891 0.298 1.00 0.00 C ATOM 449 C LEU A 30 -12.108 9.962 0.162 1.00 0.00 C ATOM 450 O LEU A 30 -12.809 9.702 1.141 1.00 0.00 O ATOM 451 CB LEU A 30 -11.036 12.138 -0.589 1.00 0.00 C ATOM 452 CG LEU A 30 -12.063 13.153 -0.061 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.729 14.513 -0.673 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.521 12.814 -0.395 1.00 0.00 C ATOM 0 H LEU A 30 -9.262 10.587 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.874 11.178 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.064 12.625 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.324 11.830 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.991 13.143 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.442 15.257 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.721 14.806 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.786 14.447 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.176 13.582 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.646 12.771 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.778 11.848 0.039 1.00 0.00 H new ATOM 466 N ARG A 31 -12.399 9.493 -1.055 1.00 0.00 N ATOM 467 CA ARG A 31 -13.552 8.631 -1.296 1.00 0.00 C ATOM 468 C ARG A 31 -13.312 7.168 -0.985 1.00 0.00 C ATOM 469 O ARG A 31 -14.285 6.493 -0.638 1.00 0.00 O ATOM 470 CB ARG A 31 -13.985 8.712 -2.768 1.00 0.00 C ATOM 471 CG ARG A 31 -14.373 10.111 -3.263 1.00 0.00 C ATOM 472 CD ARG A 31 -15.602 10.596 -2.499 1.00 0.00 C ATOM 473 NE ARG A 31 -16.141 11.838 -3.064 1.00 0.00 N ATOM 474 CZ ARG A 31 -17.431 12.040 -3.344 1.00 0.00 C ATOM 475 NH1 ARG A 31 -18.283 11.032 -3.529 1.00 0.00 N ATOM 476 NH2 ARG A 31 -17.891 13.275 -3.419 1.00 0.00 N ATOM 0 H ARG A 31 -11.848 9.699 -1.889 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.321 9.003 -0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.172 8.338 -3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.833 8.044 -2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.544 10.803 -3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.583 10.085 -4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.371 9.824 -2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.340 10.756 -1.453 1.00 0.00 H new ATOM 0 HE ARG A 31 -15.487 12.597 -3.256 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.956 10.068 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.262 11.224 -3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.263 14.063 -3.264 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.875 13.441 -3.632 1.00 0.00 H new ATOM 490 N GLU A 32 -12.085 6.677 -1.154 1.00 0.00 N ATOM 491 CA GLU A 32 -11.751 5.281 -0.920 1.00 0.00 C ATOM 492 C GLU A 32 -10.417 5.158 -0.216 1.00 0.00 C ATOM 493 O GLU A 32 -9.628 6.100 -0.161 1.00 0.00 O ATOM 494 CB GLU A 32 -11.657 4.529 -2.255 1.00 0.00 C ATOM 495 CG GLU A 32 -12.995 4.535 -3.016 1.00 0.00 C ATOM 496 CD GLU A 32 -13.054 3.558 -4.189 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.897 2.637 -4.168 1.00 0.00 O ATOM 498 OE2 GLU A 32 -12.344 3.755 -5.203 1.00 0.00 O ATOM 0 H GLU A 32 -11.293 7.243 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.536 4.853 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.885 4.986 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.350 3.500 -2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.798 4.296 -2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.184 5.542 -3.387 1.00 0.00 H new ATOM 505 N HIS A 33 -10.128 3.954 0.267 1.00 0.00 N ATOM 506 CA HIS A 33 -8.901 3.685 0.979 1.00 0.00 C ATOM 507 C HIS A 33 -8.244 2.431 0.418 1.00 0.00 C ATOM 508 O HIS A 33 -8.093 2.323 -0.797 1.00 0.00 O ATOM 509 CB HIS A 33 -9.222 3.709 2.470 1.00 0.00 C ATOM 510 CG HIS A 33 -8.065 3.831 3.429 1.00 0.00 C ATOM 511 ND1 HIS A 33 -6.717 3.598 3.221 1.00 0.00 N ATOM 512 CD2 HIS A 33 -8.221 4.208 4.730 1.00 0.00 C ATOM 513 CE1 HIS A 33 -6.089 3.801 4.393 1.00 0.00 C ATOM 514 NE2 HIS A 33 -6.968 4.169 5.341 1.00 0.00 N ATOM 0 H HIS A 33 -10.741 3.145 0.172 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.132 4.445 0.837 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.901 4.541 2.655 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.765 2.795 2.712 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.151 4.487 5.204 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.027 3.685 4.550 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -6.759 4.379 6.317 1.00 0.00 H new ATOM 522 N ILE A 34 -7.829 1.517 1.292 1.00 0.00 N ATOM 523 CA ILE A 34 -7.132 0.279 0.962 1.00 0.00 C ATOM 524 C ILE A 34 -7.047 -0.660 2.187 1.00 0.00 C ATOM 525 O ILE A 34 -7.332 -0.192 3.291 1.00 0.00 O ATOM 526 CB ILE A 34 -5.691 0.724 0.516 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.443 0.357 -0.960 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.552 0.331 1.477 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.057 -0.141 -1.360 1.00 0.00 C ATOM 0 H ILE A 34 -7.977 1.626 2.295 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.655 -0.276 0.183 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.668 1.811 0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.165 -0.411 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.667 1.237 -1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.601 0.684 1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.727 0.784 2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.522 -0.754 1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.042 -0.357 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.316 0.626 -1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.822 -1.048 -0.803 1.00 0.00 H new ATOM 541 N PRO A 35 -6.592 -1.924 2.008 1.00 0.00 N ATOM 542 CA PRO A 35 -6.385 -2.914 3.064 1.00 0.00 C ATOM 543 C PRO A 35 -5.266 -2.480 4.037 1.00 0.00 C ATOM 544 O PRO A 35 -4.124 -2.907 3.920 1.00 0.00 O ATOM 545 CB PRO A 35 -6.110 -4.250 2.349 1.00 0.00 C ATOM 546 CG PRO A 35 -5.687 -3.887 0.925 1.00 0.00 C ATOM 547 CD PRO A 35 -6.281 -2.510 0.706 1.00 0.00 C ATOM 0 HA PRO A 35 -7.261 -3.018 3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.326 -4.811 2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.000 -4.880 2.343 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.602 -3.875 0.822 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.068 -4.606 0.200 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.578 -1.877 0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.183 -2.579 0.097 1.00 0.00 H new ATOM 555 N GLU A 36 -5.622 -1.628 5.000 1.00 0.00 N ATOM 556 CA GLU A 36 -4.828 -1.066 6.094 1.00 0.00 C ATOM 557 C GLU A 36 -3.511 -0.357 5.722 1.00 0.00 C ATOM 558 O GLU A 36 -2.421 -0.906 5.907 1.00 0.00 O ATOM 559 CB GLU A 36 -4.668 -2.197 7.120 1.00 0.00 C ATOM 560 CG GLU A 36 -4.302 -1.703 8.524 1.00 0.00 C ATOM 561 CD GLU A 36 -4.365 -2.809 9.583 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.352 -3.587 9.629 1.00 0.00 O ATOM 563 OE2 GLU A 36 -3.451 -2.840 10.443 1.00 0.00 O ATOM 0 H GLU A 36 -6.579 -1.277 5.036 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.366 -0.213 6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.598 -2.762 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.897 -2.885 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.296 -1.283 8.505 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.979 -0.897 8.808 1.00 0.00 H new ATOM 570 N ALA A 37 -3.581 0.896 5.245 1.00 0.00 N ATOM 571 CA ALA A 37 -2.403 1.676 4.845 1.00 0.00 C ATOM 572 C ALA A 37 -2.256 3.038 5.522 1.00 0.00 C ATOM 573 O ALA A 37 -3.043 3.409 6.388 1.00 0.00 O ATOM 574 CB ALA A 37 -2.357 1.816 3.333 1.00 0.00 C ATOM 0 H ALA A 37 -4.461 1.397 5.126 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.546 1.103 5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.479 2.396 3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.302 0.827 2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.257 2.325 2.987 1.00 0.00 H new ATOM 580 N ASP A 38 -1.212 3.778 5.144 1.00 0.00 N ATOM 581 CA ASP A 38 -0.893 5.100 5.662 1.00 0.00 C ATOM 582 C ASP A 38 -0.489 5.998 4.500 1.00 0.00 C ATOM 583 O ASP A 38 0.391 5.625 3.718 1.00 0.00 O ATOM 584 CB ASP A 38 0.235 4.980 6.679 1.00 0.00 C ATOM 585 CG ASP A 38 0.292 6.218 7.550 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.376 6.191 8.610 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.975 7.200 7.192 1.00 0.00 O ATOM 0 H ASP A 38 -0.544 3.457 4.443 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.759 5.538 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.082 4.097 7.300 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.186 4.846 6.163 1.00 0.00 H new ATOM 592 N LEU A 39 -1.177 7.137 4.354 1.00 0.00 N ATOM 593 CA LEU A 39 -0.949 8.116 3.295 1.00 0.00 C ATOM 594 C LEU A 39 0.505 8.580 3.273 1.00 0.00 C ATOM 595 O LEU A 39 0.974 9.178 4.241 1.00 0.00 O ATOM 596 CB LEU A 39 -1.899 9.315 3.469 1.00 0.00 C ATOM 597 CG LEU A 39 -1.674 10.413 2.406 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.052 9.945 0.994 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.472 11.669 2.750 1.00 0.00 C ATOM 0 H LEU A 39 -1.928 7.406 4.990 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.157 7.637 2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.930 8.967 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.760 9.742 4.462 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.608 10.638 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.876 10.753 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.444 9.083 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.106 9.667 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.299 12.430 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.534 11.427 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.153 12.048 3.721 1.00 0.00 H new ATOM 611 N ALA A 40 1.213 8.335 2.171 1.00 0.00 N ATOM 612 CA ALA A 40 2.599 8.739 1.993 1.00 0.00 C ATOM 613 C ALA A 40 2.898 8.793 0.491 1.00 0.00 C ATOM 614 O ALA A 40 3.584 7.903 -0.013 1.00 0.00 O ATOM 615 CB ALA A 40 3.514 7.759 2.728 1.00 0.00 C ATOM 0 H ALA A 40 0.829 7.841 1.365 1.00 0.00 H new ATOM 0 HA ALA A 40 2.777 9.728 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.553 8.061 2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.269 7.759 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.373 6.757 2.324 1.00 0.00 H new ATOM 621 N PRO A 41 2.384 9.801 -0.237 1.00 0.00 N ATOM 622 CA PRO A 41 2.611 9.920 -1.667 1.00 0.00 C ATOM 623 C PRO A 41 4.099 10.088 -1.998 1.00 0.00 C ATOM 624 O PRO A 41 4.946 10.353 -1.135 1.00 0.00 O ATOM 625 CB PRO A 41 1.723 11.077 -2.140 1.00 0.00 C ATOM 626 CG PRO A 41 1.497 11.919 -0.887 1.00 0.00 C ATOM 627 CD PRO A 41 1.561 10.900 0.248 1.00 0.00 C ATOM 0 HA PRO A 41 2.338 9.010 -2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.209 11.656 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.781 10.713 -2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.261 12.689 -0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.534 12.428 -0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.993 11.343 1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.563 10.551 0.514 1.00 0.00 H new ATOM 635 N LEU A 42 4.410 9.944 -3.289 1.00 0.00 N ATOM 636 CA LEU A 42 5.761 10.050 -3.832 1.00 0.00 C ATOM 637 C LEU A 42 6.436 11.367 -3.427 1.00 0.00 C ATOM 638 O LEU A 42 7.644 11.398 -3.193 1.00 0.00 O ATOM 639 CB LEU A 42 5.686 9.867 -5.357 1.00 0.00 C ATOM 640 CG LEU A 42 7.064 9.797 -6.044 1.00 0.00 C ATOM 641 CD1 LEU A 42 7.841 8.552 -5.601 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.882 9.742 -7.566 1.00 0.00 C ATOM 0 H LEU A 42 3.708 9.745 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 42 6.390 9.265 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.134 8.953 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.119 10.693 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 42 7.625 10.687 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.809 8.530 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.992 8.582 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.276 7.658 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.859 9.693 -8.048 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.301 8.858 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.356 10.636 -7.902 1.00 0.00 H new ATOM 654 N SER A 43 5.644 12.430 -3.290 1.00 0.00 N ATOM 655 CA SER A 43 6.035 13.776 -2.899 1.00 0.00 C ATOM 656 C SER A 43 6.650 13.821 -1.498 1.00 0.00 C ATOM 657 O SER A 43 7.326 14.789 -1.158 1.00 0.00 O ATOM 658 CB SER A 43 4.784 14.667 -2.975 1.00 0.00 C ATOM 659 OG SER A 43 3.606 13.932 -2.675 1.00 0.00 O ATOM 0 H SER A 43 4.641 12.364 -3.463 1.00 0.00 H new ATOM 0 HA SER A 43 6.808 14.135 -3.578 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.884 15.498 -2.277 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.702 15.098 -3.973 1.00 0.00 H new ATOM 0 HG SER A 43 2.828 14.525 -2.730 1.00 0.00 H new ATOM 665 N VAL A 44 6.445 12.793 -0.675 1.00 0.00 N ATOM 666 CA VAL A 44 6.980 12.696 0.677 1.00 0.00 C ATOM 667 C VAL A 44 8.112 11.658 0.671 1.00 0.00 C ATOM 668 O VAL A 44 9.145 11.849 1.316 1.00 0.00 O ATOM 669 CB VAL A 44 5.846 12.349 1.668 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.299 12.636 3.099 1.00 0.00 C ATOM 671 CG2 VAL A 44 4.553 13.146 1.429 1.00 0.00 C ATOM 0 H VAL A 44 5.885 11.983 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 44 7.395 13.648 1.009 1.00 0.00 H new ATOM 0 HB VAL A 44 5.631 11.292 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.495 12.389 3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.176 12.032 3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.550 13.692 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.802 12.850 2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.758 14.212 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.180 12.943 0.425 1.00 0.00 H new ATOM 681 N LEU A 45 7.948 10.574 -0.096 1.00 0.00 N ATOM 682 CA LEU A 45 8.942 9.510 -0.205 1.00 0.00 C ATOM 683 C LEU A 45 10.267 10.045 -0.755 1.00 0.00 C ATOM 684 O LEU A 45 11.330 9.633 -0.297 1.00 0.00 O ATOM 685 CB LEU A 45 8.448 8.388 -1.138 1.00 0.00 C ATOM 686 CG LEU A 45 7.305 7.449 -0.674 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.772 5.996 -0.781 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.810 7.648 0.770 1.00 0.00 C ATOM 0 H LEU A 45 7.114 10.413 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 45 9.095 9.115 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.127 8.856 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.307 7.761 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 45 6.472 7.697 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.971 5.332 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.031 5.772 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.647 5.847 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.011 6.937 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.635 7.484 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.433 8.664 0.889 1.00 0.00 H new ATOM 700 N GLU A 46 10.232 10.955 -1.727 1.00 0.00 N ATOM 701 CA GLU A 46 11.418 11.517 -2.333 1.00 0.00 C ATOM 702 C GLU A 46 12.049 12.582 -1.442 1.00 0.00 C ATOM 703 O GLU A 46 13.270 12.726 -1.442 1.00 0.00 O ATOM 704 CB GLU A 46 11.031 12.050 -3.706 1.00 0.00 C ATOM 705 CG GLU A 46 10.839 10.884 -4.687 1.00 0.00 C ATOM 706 CD GLU A 46 10.701 11.302 -6.148 1.00 0.00 C ATOM 707 OE1 GLU A 46 10.669 12.516 -6.469 1.00 0.00 O ATOM 708 OE2 GLU A 46 10.635 10.391 -7.005 1.00 0.00 O ATOM 0 H GLU A 46 9.363 11.322 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 46 12.185 10.752 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.111 12.631 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.805 12.723 -4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.687 10.205 -4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.950 10.324 -4.397 1.00 0.00 H new ATOM 715 N GLN A 47 11.239 13.314 -0.670 1.00 0.00 N ATOM 716 CA GLN A 47 11.745 14.330 0.234 1.00 0.00 C ATOM 717 C GLN A 47 12.535 13.652 1.352 1.00 0.00 C ATOM 718 O GLN A 47 13.522 14.215 1.830 1.00 0.00 O ATOM 719 CB GLN A 47 10.575 15.128 0.828 1.00 0.00 C ATOM 720 CG GLN A 47 9.979 16.135 -0.163 1.00 0.00 C ATOM 721 CD GLN A 47 10.966 17.231 -0.546 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.633 17.812 0.305 1.00 0.00 O ATOM 723 NE2 GLN A 47 11.085 17.523 -1.827 1.00 0.00 N ATOM 0 H GLN A 47 10.224 13.214 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 47 12.396 15.015 -0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.796 14.437 1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.917 15.659 1.717 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.659 15.609 -1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.090 16.588 0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.521 17.028 -2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.741 18.244 -2.127 1.00 0.00 H new ATOM 732 N SER A 48 12.143 12.437 1.752 1.00 0.00 N ATOM 733 CA SER A 48 12.817 11.715 2.811 1.00 0.00 C ATOM 734 C SER A 48 12.838 10.217 2.544 1.00 0.00 C ATOM 735 O SER A 48 13.876 9.672 2.170 1.00 0.00 O ATOM 736 CB SER A 48 12.121 12.031 4.131 1.00 0.00 C ATOM 737 OG SER A 48 12.145 13.422 4.414 1.00 0.00 O ATOM 0 H SER A 48 11.352 11.937 1.346 1.00 0.00 H new ATOM 0 HA SER A 48 13.858 12.035 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.088 11.685 4.090 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.608 11.486 4.940 1.00 0.00 H new ATOM 0 HG SER A 48 11.690 13.591 5.265 1.00 0.00 H new ATOM 743 N GLY A 49 11.703 9.542 2.704 1.00 0.00 N ATOM 744 CA GLY A 49 11.604 8.115 2.503 1.00 0.00 C ATOM 745 C GLY A 49 10.458 7.583 3.338 1.00 0.00 C ATOM 746 O GLY A 49 9.377 8.178 3.378 1.00 0.00 O ATOM 0 H GLY A 49 10.824 9.981 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.438 7.893 1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.537 7.628 2.788 1.00 0.00 H new ATOM 750 N LEU A 50 10.668 6.406 3.918 1.00 0.00 N ATOM 751 CA LEU A 50 9.713 5.712 4.759 1.00 0.00 C ATOM 752 C LEU A 50 9.839 6.189 6.220 1.00 0.00 C ATOM 753 O LEU A 50 10.918 6.057 6.804 1.00 0.00 O ATOM 754 CB LEU A 50 10.029 4.214 4.683 1.00 0.00 C ATOM 755 CG LEU A 50 9.093 3.360 5.554 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.701 3.229 4.941 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.707 1.977 5.661 1.00 0.00 C ATOM 0 H LEU A 50 11.543 5.894 3.808 1.00 0.00 H new ATOM 0 HA LEU A 50 8.698 5.915 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.954 3.884 3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.060 4.049 4.996 1.00 0.00 H new ATOM 0 HG LEU A 50 8.983 3.839 6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.074 2.618 5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.256 4.218 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.778 2.757 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.068 1.342 6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.802 1.543 4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.693 2.051 6.120 1.00 0.00 H new ATOM 769 N PRO A 51 8.775 6.728 6.837 1.00 0.00 N ATOM 770 CA PRO A 51 8.814 7.173 8.218 1.00 0.00 C ATOM 771 C PRO A 51 8.973 5.995 9.180 1.00 0.00 C ATOM 772 O PRO A 51 8.444 4.902 8.947 1.00 0.00 O ATOM 773 CB PRO A 51 7.464 7.827 8.505 1.00 0.00 C ATOM 774 CG PRO A 51 6.591 7.618 7.275 1.00 0.00 C ATOM 775 CD PRO A 51 7.474 6.935 6.242 1.00 0.00 C ATOM 0 HA PRO A 51 9.656 7.850 8.358 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.001 7.382 9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.588 8.890 8.713 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.723 7.003 7.513 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.214 8.569 6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.038 5.984 5.937 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.558 7.549 5.346 1.00 0.00 H new ATOM 783 N ALA A 52 9.552 6.267 10.354 1.00 0.00 N ATOM 784 CA ALA A 52 9.762 5.252 11.380 1.00 0.00 C ATOM 785 C ALA A 52 8.456 4.610 11.881 1.00 0.00 C ATOM 786 O ALA A 52 8.509 3.523 12.457 1.00 0.00 O ATOM 787 CB ALA A 52 10.566 5.827 12.549 1.00 0.00 C ATOM 0 H ALA A 52 9.886 7.195 10.615 1.00 0.00 H new ATOM 0 HA ALA A 52 10.333 4.452 10.909 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.713 5.055 13.304 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.536 6.171 12.189 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.023 6.665 12.987 1.00 0.00 H new ATOM 793 N LYS A 53 7.281 5.230 11.671 1.00 0.00 N ATOM 794 CA LYS A 53 6.028 4.633 12.133 1.00 0.00 C ATOM 795 C LYS A 53 5.619 3.403 11.310 1.00 0.00 C ATOM 796 O LYS A 53 4.810 2.621 11.803 1.00 0.00 O ATOM 797 CB LYS A 53 4.909 5.675 12.310 1.00 0.00 C ATOM 798 CG LYS A 53 4.232 6.127 11.012 1.00 0.00 C ATOM 799 CD LYS A 53 3.035 7.031 11.308 1.00 0.00 C ATOM 800 CE LYS A 53 2.314 7.556 10.064 1.00 0.00 C ATOM 801 NZ LYS A 53 3.047 8.628 9.367 1.00 0.00 N ATOM 0 H LYS A 53 7.179 6.126 11.194 1.00 0.00 H new ATOM 0 HA LYS A 53 6.214 4.247 13.135 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.149 5.261 12.973 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.324 6.550 12.809 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.950 6.660 10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.904 5.256 10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.322 6.479 11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.375 7.880 11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.151 6.729 9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.331 7.928 10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.503 8.937 8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.181 9.433 10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.975 8.272 9.061 1.00 0.00 H new ATOM 815 N LEU A 54 6.146 3.200 10.095 1.00 0.00 N ATOM 816 CA LEU A 54 5.849 2.043 9.260 1.00 0.00 C ATOM 817 C LEU A 54 7.175 1.457 8.762 1.00 0.00 C ATOM 818 O LEU A 54 7.205 0.885 7.682 1.00 0.00 O ATOM 819 CB LEU A 54 5.016 2.463 8.031 1.00 0.00 C ATOM 820 CG LEU A 54 3.696 3.182 8.346 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.816 4.663 7.985 1.00 0.00 C ATOM 822 CD2 LEU A 54 2.522 2.603 7.564 1.00 0.00 C ATOM 0 H LEU A 54 6.802 3.851 9.663 1.00 0.00 H new ATOM 0 HA LEU A 54 5.286 1.315 9.844 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.625 3.115 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.794 1.573 7.442 1.00 0.00 H new ATOM 0 HG LEU A 54 3.508 3.047 9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.877 5.170 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.620 5.115 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.036 4.762 6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.611 3.144 7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.713 2.701 6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.401 1.549 7.816 1.00 0.00 H new ATOM 834 N ARG A 55 8.240 1.464 9.572 1.00 0.00 N ATOM 835 CA ARG A 55 9.561 0.931 9.180 1.00 0.00 C ATOM 836 C ARG A 55 9.766 -0.558 9.474 1.00 0.00 C ATOM 837 O ARG A 55 10.860 -1.078 9.236 1.00 0.00 O ATOM 838 CB ARG A 55 10.680 1.818 9.736 1.00 0.00 C ATOM 839 CG ARG A 55 10.960 1.583 11.228 1.00 0.00 C ATOM 840 CD ARG A 55 12.157 0.648 11.475 1.00 0.00 C ATOM 841 NE ARG A 55 11.810 -0.427 12.418 1.00 0.00 N ATOM 842 CZ ARG A 55 12.128 -1.724 12.319 1.00 0.00 C ATOM 843 NH1 ARG A 55 12.763 -2.224 11.266 1.00 0.00 N ATOM 844 NH2 ARG A 55 11.806 -2.551 13.298 1.00 0.00 N ATOM 0 H ARG A 55 8.216 1.839 10.520 1.00 0.00 H new ATOM 0 HA ARG A 55 9.601 0.974 8.092 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.593 1.636 9.169 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.414 2.864 9.584 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.149 2.541 11.712 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.072 1.159 11.696 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.483 0.214 10.530 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.995 1.223 11.868 1.00 0.00 H new ATOM 0 HE ARG A 55 11.267 -0.154 13.237 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.027 -1.614 10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.987 -3.219 11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.318 -2.200 14.122 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.045 -3.540 13.229 1.00 0.00 H new ATOM 858 N HIS A 56 8.724 -1.212 9.986 1.00 0.00 N ATOM 859 CA HIS A 56 8.620 -2.620 10.355 1.00 0.00 C ATOM 860 C HIS A 56 9.366 -3.561 9.393 1.00 0.00 C ATOM 861 O HIS A 56 9.453 -3.315 8.193 1.00 0.00 O ATOM 862 CB HIS A 56 7.119 -2.977 10.428 1.00 0.00 C ATOM 863 CG HIS A 56 6.462 -2.564 11.722 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.755 -3.083 12.956 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.459 -1.649 11.894 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.947 -2.508 13.854 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.147 -1.608 13.260 1.00 0.00 N ATOM 0 H HIS A 56 7.849 -0.721 10.170 1.00 0.00 H new ATOM 0 HA HIS A 56 9.104 -2.762 11.321 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.600 -2.499 9.598 1.00 0.00 H new ATOM 0 HB3 HIS A 56 7.003 -4.053 10.299 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.991 -1.063 11.116 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.939 -2.736 14.910 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.452 -1.014 13.712 1.00 0.00 H new ATOM 875 N GLU A 57 9.822 -4.710 9.906 1.00 0.00 N ATOM 876 CA GLU A 57 10.564 -5.731 9.154 1.00 0.00 C ATOM 877 C GLU A 57 9.828 -6.249 7.914 1.00 0.00 C ATOM 878 O GLU A 57 10.481 -6.818 7.044 1.00 0.00 O ATOM 879 CB GLU A 57 10.913 -6.929 10.061 1.00 0.00 C ATOM 880 CG GLU A 57 12.143 -6.688 10.948 1.00 0.00 C ATOM 881 CD GLU A 57 11.953 -5.583 11.979 1.00 0.00 C ATOM 882 OE1 GLU A 57 10.838 -5.439 12.535 1.00 0.00 O ATOM 883 OE2 GLU A 57 12.930 -4.859 12.270 1.00 0.00 O ATOM 0 H GLU A 57 9.681 -4.963 10.884 1.00 0.00 H new ATOM 0 HA GLU A 57 11.469 -5.231 8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.056 -7.156 10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.090 -7.806 9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.393 -7.615 11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.993 -6.437 10.313 1.00 0.00 H new ATOM 890 N GLN A 58 8.506 -6.061 7.824 1.00 0.00 N ATOM 891 CA GLN A 58 7.673 -6.498 6.714 1.00 0.00 C ATOM 892 C GLN A 58 6.700 -5.393 6.313 1.00 0.00 C ATOM 893 O GLN A 58 5.787 -5.060 7.081 1.00 0.00 O ATOM 894 CB GLN A 58 6.904 -7.764 7.134 1.00 0.00 C ATOM 895 CG GLN A 58 7.758 -9.045 7.137 1.00 0.00 C ATOM 896 CD GLN A 58 7.267 -10.021 8.204 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.083 -10.337 8.289 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.151 -10.488 9.071 1.00 0.00 N ATOM 0 H GLN A 58 7.975 -5.583 8.552 1.00 0.00 H new ATOM 0 HA GLN A 58 8.302 -6.723 5.853 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.492 -7.612 8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.060 -7.904 6.459 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.714 -9.519 6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.802 -8.791 7.322 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.132 -10.220 8.993 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.851 -11.115 9.817 1.00 0.00 H new ATOM 907 N ILE A 59 6.895 -4.816 5.123 1.00 0.00 N ATOM 908 CA ILE A 59 6.044 -3.779 4.570 1.00 0.00 C ATOM 909 C ILE A 59 5.636 -4.155 3.139 1.00 0.00 C ATOM 910 O ILE A 59 6.151 -5.105 2.544 1.00 0.00 O ATOM 911 CB ILE A 59 6.528 -2.319 4.792 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.864 -1.517 3.514 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.595 -2.090 5.870 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.304 -0.091 3.799 1.00 0.00 C ATOM 0 H ILE A 59 7.670 -5.069 4.510 1.00 0.00 H new ATOM 0 HA ILE A 59 5.129 -3.750 5.161 1.00 0.00 H new ATOM 0 HB ILE A 59 5.607 -1.903 5.201 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.654 -2.032 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.989 -1.497 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.840 -1.029 5.919 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.213 -2.419 6.836 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.491 -2.659 5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.525 0.416 2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.506 0.439 4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.198 -0.104 4.423 1.00 0.00 H new ATOM 926 N ILE A 60 4.655 -3.441 2.601 1.00 0.00 N ATOM 927 CA ILE A 60 4.106 -3.596 1.268 1.00 0.00 C ATOM 928 C ILE A 60 3.923 -2.199 0.681 1.00 0.00 C ATOM 929 O ILE A 60 3.792 -1.201 1.396 1.00 0.00 O ATOM 930 CB ILE A 60 2.757 -4.362 1.307 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.984 -5.770 1.889 1.00 0.00 C ATOM 932 CG2 ILE A 60 2.137 -4.452 -0.107 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.736 -6.644 1.980 1.00 0.00 C ATOM 0 H ILE A 60 4.196 -2.693 3.120 1.00 0.00 H new ATOM 0 HA ILE A 60 4.783 -4.182 0.647 1.00 0.00 H new ATOM 0 HB ILE A 60 2.059 -3.819 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.724 -6.284 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.411 -5.669 2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.192 -4.993 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.960 -3.447 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.822 -4.979 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.001 -7.614 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.998 -6.159 2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.317 -6.784 0.984 1.00 0.00 H new ATOM 945 N PHE A 61 3.889 -2.169 -0.642 1.00 0.00 N ATOM 946 CA PHE A 61 3.683 -1.015 -1.484 1.00 0.00 C ATOM 947 C PHE A 61 2.535 -1.361 -2.434 1.00 0.00 C ATOM 948 O PHE A 61 2.489 -2.452 -3.008 1.00 0.00 O ATOM 949 CB PHE A 61 4.970 -0.676 -2.238 1.00 0.00 C ATOM 950 CG PHE A 61 5.955 0.138 -1.435 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.601 1.404 -0.940 1.00 0.00 C ATOM 952 CD2 PHE A 61 7.237 -0.368 -1.190 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.509 2.143 -0.170 1.00 0.00 C ATOM 954 CE2 PHE A 61 8.147 0.365 -0.417 1.00 0.00 C ATOM 955 CZ PHE A 61 7.785 1.626 0.091 1.00 0.00 C ATOM 0 H PHE A 61 4.015 -3.019 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 61 3.426 -0.131 -0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.450 -1.603 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.714 -0.127 -3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.623 1.810 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.525 -1.326 -1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.226 3.109 0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.127 -0.038 -0.211 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.489 2.194 0.681 1.00 0.00 H new ATOM 965 N HIS A 62 1.602 -0.426 -2.585 1.00 0.00 N ATOM 966 CA HIS A 62 0.414 -0.469 -3.421 1.00 0.00 C ATOM 967 C HIS A 62 0.009 0.995 -3.728 1.00 0.00 C ATOM 968 O HIS A 62 0.635 1.918 -3.202 1.00 0.00 O ATOM 969 CB HIS A 62 -0.642 -1.271 -2.653 1.00 0.00 C ATOM 970 CG HIS A 62 -1.512 -2.154 -3.490 1.00 0.00 C ATOM 971 ND1 HIS A 62 -2.846 -2.337 -3.265 1.00 0.00 N ATOM 972 CD2 HIS A 62 -1.146 -2.963 -4.532 1.00 0.00 C ATOM 973 CE1 HIS A 62 -3.301 -3.216 -4.167 1.00 0.00 C ATOM 974 NE2 HIS A 62 -2.296 -3.638 -4.944 1.00 0.00 N ATOM 0 H HIS A 62 1.667 0.458 -2.079 1.00 0.00 H new ATOM 0 HA HIS A 62 0.560 -0.962 -4.382 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.136 -1.887 -1.910 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.278 -0.573 -2.109 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.157 -3.060 -4.954 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.328 -3.537 -4.255 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -2.359 -4.324 -5.696 1.00 0.00 H new ATOM 982 N CYS A 63 -0.969 1.286 -4.584 1.00 0.00 N ATOM 983 CA CYS A 63 -1.370 2.663 -4.896 1.00 0.00 C ATOM 984 C CYS A 63 -2.814 2.707 -5.418 1.00 0.00 C ATOM 985 O CYS A 63 -3.681 2.059 -4.855 1.00 0.00 O ATOM 986 CB CYS A 63 -0.338 3.286 -5.868 1.00 0.00 C ATOM 987 SG CYS A 63 -0.320 2.488 -7.505 1.00 0.00 S ATOM 0 H CYS A 63 -1.507 0.577 -5.082 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.370 3.271 -3.991 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.558 4.346 -5.991 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.656 3.216 -5.426 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.513 2.528 -8.020 1.00 0.00 H new ATOM 993 N GLN A 64 -3.109 3.557 -6.411 1.00 0.00 N ATOM 994 CA GLN A 64 -4.425 3.672 -7.044 1.00 0.00 C ATOM 995 C GLN A 64 -4.367 2.843 -8.334 1.00 0.00 C ATOM 996 O GLN A 64 -3.267 2.521 -8.803 1.00 0.00 O ATOM 997 CB GLN A 64 -4.801 5.136 -7.358 1.00 0.00 C ATOM 998 CG GLN A 64 -3.922 5.833 -8.403 1.00 0.00 C ATOM 999 CD GLN A 64 -4.380 7.266 -8.653 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -3.919 8.181 -7.983 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -5.226 7.496 -9.640 1.00 0.00 N ATOM 0 H GLN A 64 -2.420 4.198 -6.804 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.194 3.306 -6.364 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.835 5.161 -7.703 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.759 5.710 -6.432 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.886 5.835 -8.065 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.952 5.272 -9.337 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.597 6.718 -10.185 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.508 8.452 -9.858 1.00 0.00 H new ATOM 1010 N ALA A 65 -5.514 2.582 -8.963 1.00 0.00 N ATOM 1011 CA ALA A 65 -5.645 1.827 -10.207 1.00 0.00 C ATOM 1012 C ALA A 65 -5.284 2.754 -11.374 1.00 0.00 C ATOM 1013 O ALA A 65 -6.121 3.110 -12.207 1.00 0.00 O ATOM 1014 CB ALA A 65 -7.067 1.263 -10.336 1.00 0.00 C ATOM 0 H ALA A 65 -6.413 2.905 -8.604 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.965 0.975 -10.214 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.153 0.702 -11.267 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.274 0.603 -9.494 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.785 2.083 -10.339 1.00 0.00 H new ATOM 1020 N GLY A 66 -4.029 3.204 -11.394 1.00 0.00 N ATOM 1021 CA GLY A 66 -3.504 4.079 -12.430 1.00 0.00 C ATOM 1022 C GLY A 66 -2.035 4.436 -12.282 1.00 0.00 C ATOM 1023 O GLY A 66 -1.299 4.319 -13.262 1.00 0.00 O ATOM 0 H GLY A 66 -3.343 2.965 -10.678 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.651 3.600 -13.398 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.088 5.000 -12.438 1.00 0.00 H new ATOM 1027 N LYS A 67 -1.600 4.834 -11.077 1.00 0.00 N ATOM 1028 CA LYS A 67 -0.197 5.191 -10.816 1.00 0.00 C ATOM 1029 C LYS A 67 0.712 3.994 -11.117 1.00 0.00 C ATOM 1030 O LYS A 67 1.747 4.168 -11.758 1.00 0.00 O ATOM 1031 CB LYS A 67 -0.006 5.678 -9.362 1.00 0.00 C ATOM 1032 CG LYS A 67 0.367 7.163 -9.194 1.00 0.00 C ATOM 1033 CD LYS A 67 -0.662 8.196 -9.681 1.00 0.00 C ATOM 1034 CE LYS A 67 -0.144 9.641 -9.530 1.00 0.00 C ATOM 1035 NZ LYS A 67 -0.099 10.119 -8.129 1.00 0.00 N ATOM 0 H LYS A 67 -2.206 4.917 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 67 0.079 6.014 -11.475 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.928 5.491 -8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.772 5.073 -8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.559 7.347 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.303 7.340 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.902 8.004 -10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.587 8.081 -9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.857 9.704 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.782 10.308 -10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.258 11.095 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.056 10.091 -7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.532 9.507 -7.573 1.00 0.00 H new ATOM 1049 N ARG A 68 0.259 2.791 -10.735 1.00 0.00 N ATOM 1050 CA ARG A 68 0.883 1.488 -10.871 1.00 0.00 C ATOM 1051 C ARG A 68 2.075 1.402 -9.952 1.00 0.00 C ATOM 1052 O ARG A 68 3.071 2.081 -10.158 1.00 0.00 O ATOM 1053 CB ARG A 68 1.209 1.117 -12.326 1.00 0.00 C ATOM 1054 CG ARG A 68 -0.067 1.087 -13.178 1.00 0.00 C ATOM 1055 CD ARG A 68 0.123 0.341 -14.499 1.00 0.00 C ATOM 1056 NE ARG A 68 1.193 0.907 -15.335 1.00 0.00 N ATOM 1057 CZ ARG A 68 1.120 2.060 -16.010 1.00 0.00 C ATOM 1058 NH1 ARG A 68 0.150 2.942 -15.779 1.00 0.00 N ATOM 1059 NH2 ARG A 68 2.030 2.332 -16.931 1.00 0.00 N ATOM 0 H ARG A 68 -0.649 2.711 -10.277 1.00 0.00 H new ATOM 0 HA ARG A 68 0.161 0.732 -10.564 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.913 1.839 -12.741 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.696 0.142 -12.357 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.867 0.613 -12.610 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.385 2.109 -13.385 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.349 -0.704 -14.289 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.813 0.359 -15.057 1.00 0.00 H new ATOM 0 HE ARG A 68 2.062 0.377 -15.406 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.560 2.746 -15.074 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.117 3.814 -16.307 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.778 1.665 -17.121 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.983 3.208 -17.451 1.00 0.00 H new ATOM 1073 N THR A 69 2.008 0.550 -8.940 1.00 0.00 N ATOM 1074 CA THR A 69 3.120 0.424 -8.013 1.00 0.00 C ATOM 1075 C THR A 69 4.368 -0.070 -8.750 1.00 0.00 C ATOM 1076 O THR A 69 5.469 0.400 -8.471 1.00 0.00 O ATOM 1077 CB THR A 69 2.741 -0.479 -6.838 1.00 0.00 C ATOM 1078 OG1 THR A 69 1.343 -0.507 -6.634 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.406 0.045 -5.571 1.00 0.00 C ATOM 0 H THR A 69 1.210 -0.054 -8.742 1.00 0.00 H new ATOM 0 HA THR A 69 3.355 1.404 -7.597 1.00 0.00 H new ATOM 0 HB THR A 69 3.078 -1.490 -7.068 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.972 -1.325 -7.025 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.140 -0.594 -4.729 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.488 0.043 -5.700 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.066 1.062 -5.376 1.00 0.00 H new ATOM 1087 N SER A 70 4.193 -0.947 -9.749 1.00 0.00 N ATOM 1088 CA SER A 70 5.291 -1.497 -10.556 1.00 0.00 C ATOM 1089 C SER A 70 5.946 -0.405 -11.429 1.00 0.00 C ATOM 1090 O SER A 70 6.879 -0.672 -12.184 1.00 0.00 O ATOM 1091 CB SER A 70 4.753 -2.699 -11.351 1.00 0.00 C ATOM 1092 OG SER A 70 5.723 -3.442 -12.056 1.00 0.00 O ATOM 0 H SER A 70 3.275 -1.298 -10.022 1.00 0.00 H new ATOM 0 HA SER A 70 6.097 -1.857 -9.917 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.238 -3.368 -10.661 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.009 -2.339 -12.061 1.00 0.00 H new ATOM 0 HG SER A 70 6.431 -2.841 -12.369 1.00 0.00 H new ATOM 1098 N ASN A 71 5.454 0.840 -11.373 1.00 0.00 N ATOM 1099 CA ASN A 71 5.999 1.957 -12.145 1.00 0.00 C ATOM 1100 C ASN A 71 7.378 2.382 -11.648 1.00 0.00 C ATOM 1101 O ASN A 71 8.188 2.833 -12.452 1.00 0.00 O ATOM 1102 CB ASN A 71 5.030 3.139 -12.072 1.00 0.00 C ATOM 1103 CG ASN A 71 5.331 4.266 -13.044 1.00 0.00 C ATOM 1104 OD1 ASN A 71 5.360 5.439 -12.667 1.00 0.00 O ATOM 1105 ND2 ASN A 71 5.457 3.969 -14.325 1.00 0.00 N ATOM 0 H ASN A 71 4.661 1.099 -10.786 1.00 0.00 H new ATOM 0 HA ASN A 71 6.116 1.628 -13.177 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.020 2.775 -12.260 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.042 3.539 -11.058 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.580 4.713 -15.011 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.432 2.995 -14.628 1.00 0.00 H new ATOM 1112 N ASN A 72 7.635 2.271 -10.338 1.00 0.00 N ATOM 1113 CA ASN A 72 8.913 2.623 -9.703 1.00 0.00 C ATOM 1114 C ASN A 72 9.120 1.786 -8.434 1.00 0.00 C ATOM 1115 O ASN A 72 9.831 2.221 -7.527 1.00 0.00 O ATOM 1116 CB ASN A 72 9.003 4.106 -9.294 1.00 0.00 C ATOM 1117 CG ASN A 72 8.650 5.113 -10.375 1.00 0.00 C ATOM 1118 OD1 ASN A 72 9.501 5.574 -11.133 1.00 0.00 O ATOM 1119 ND2 ASN A 72 7.394 5.518 -10.440 1.00 0.00 N ATOM 0 H ASN A 72 6.943 1.925 -9.673 1.00 0.00 H new ATOM 0 HA ASN A 72 9.679 2.422 -10.452 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.342 4.269 -8.442 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.018 4.308 -8.953 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.120 6.222 -11.125 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.698 5.127 -9.805 1.00 0.00 H new ATOM 1126 N ALA A 73 8.462 0.626 -8.332 1.00 0.00 N ATOM 1127 CA ALA A 73 8.520 -0.284 -7.193 1.00 0.00 C ATOM 1128 C ALA A 73 9.931 -0.436 -6.618 1.00 0.00 C ATOM 1129 O ALA A 73 10.120 -0.369 -5.406 1.00 0.00 O ATOM 1130 CB ALA A 73 7.960 -1.654 -7.596 1.00 0.00 C ATOM 0 H ALA A 73 7.850 0.286 -9.074 1.00 0.00 H new ATOM 0 HA ALA A 73 7.909 0.152 -6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.005 -2.331 -6.743 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.924 -1.544 -7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.552 -2.063 -8.415 1.00 0.00 H new ATOM 1136 N ASP A 74 10.927 -0.600 -7.488 1.00 0.00 N ATOM 1137 CA ASP A 74 12.322 -0.797 -7.087 1.00 0.00 C ATOM 1138 C ASP A 74 12.867 0.379 -6.261 1.00 0.00 C ATOM 1139 O ASP A 74 13.577 0.184 -5.274 1.00 0.00 O ATOM 1140 CB ASP A 74 13.212 -1.085 -8.303 1.00 0.00 C ATOM 1141 CG ASP A 74 12.860 -2.376 -9.046 1.00 0.00 C ATOM 1142 OD1 ASP A 74 12.934 -3.484 -8.466 1.00 0.00 O ATOM 1143 OD2 ASP A 74 12.560 -2.272 -10.262 1.00 0.00 O ATOM 0 H ASP A 74 10.789 -0.600 -8.499 1.00 0.00 H new ATOM 0 HA ASP A 74 12.344 -1.672 -6.437 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.141 -0.248 -8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.250 -1.139 -7.975 1.00 0.00 H new ATOM 1148 N LYS A 75 12.533 1.623 -6.622 1.00 0.00 N ATOM 1149 CA LYS A 75 12.968 2.814 -5.903 1.00 0.00 C ATOM 1150 C LYS A 75 12.386 2.778 -4.496 1.00 0.00 C ATOM 1151 O LYS A 75 13.105 2.996 -3.519 1.00 0.00 O ATOM 1152 CB LYS A 75 12.531 4.080 -6.677 1.00 0.00 C ATOM 1153 CG LYS A 75 13.735 4.863 -7.208 1.00 0.00 C ATOM 1154 CD LYS A 75 14.533 5.519 -6.082 1.00 0.00 C ATOM 1155 CE LYS A 75 13.900 6.855 -5.675 1.00 0.00 C ATOM 1156 NZ LYS A 75 14.882 7.792 -5.097 1.00 0.00 N ATOM 0 H LYS A 75 11.947 1.828 -7.431 1.00 0.00 H new ATOM 0 HA LYS A 75 14.055 2.839 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.887 3.794 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.940 4.721 -6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.385 4.192 -7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.391 5.629 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.572 4.852 -5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.561 5.682 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.435 7.314 -6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.107 6.672 -4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.405 8.679 -4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.308 7.368 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.626 7.990 -5.796 1.00 0.00 H new ATOM 1170 N LEU A 76 11.084 2.498 -4.412 1.00 0.00 N ATOM 1171 CA LEU A 76 10.324 2.400 -3.166 1.00 0.00 C ATOM 1172 C LEU A 76 10.966 1.351 -2.250 1.00 0.00 C ATOM 1173 O LEU A 76 11.073 1.562 -1.044 1.00 0.00 O ATOM 1174 CB LEU A 76 8.848 2.026 -3.422 1.00 0.00 C ATOM 1175 CG LEU A 76 8.085 2.849 -4.472 1.00 0.00 C ATOM 1176 CD1 LEU A 76 6.693 2.243 -4.713 1.00 0.00 C ATOM 1177 CD2 LEU A 76 7.919 4.310 -4.051 1.00 0.00 C ATOM 0 H LEU A 76 10.511 2.328 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 76 10.344 3.379 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.813 0.979 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.311 2.104 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 76 8.676 2.820 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.163 2.835 -5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.799 1.219 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.129 2.245 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.374 4.852 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.364 4.358 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.901 4.763 -3.914 1.00 0.00 H new ATOM 1189 N ALA A 77 11.447 0.247 -2.829 1.00 0.00 N ATOM 1190 CA ALA A 77 12.086 -0.854 -2.122 1.00 0.00 C ATOM 1191 C ALA A 77 13.246 -0.365 -1.269 1.00 0.00 C ATOM 1192 O ALA A 77 13.260 -0.606 -0.065 1.00 0.00 O ATOM 1193 CB ALA A 77 12.566 -1.925 -3.095 1.00 0.00 C ATOM 0 H ALA A 77 11.398 0.095 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 77 11.338 -1.294 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.039 -2.735 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.716 -2.316 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.287 -1.491 -3.788 1.00 0.00 H new ATOM 1199 N ALA A 78 14.201 0.328 -1.897 1.00 0.00 N ATOM 1200 CA ALA A 78 15.378 0.871 -1.232 1.00 0.00 C ATOM 1201 C ALA A 78 14.972 1.905 -0.180 1.00 0.00 C ATOM 1202 O ALA A 78 15.539 1.940 0.908 1.00 0.00 O ATOM 1203 CB ALA A 78 16.295 1.506 -2.276 1.00 0.00 C ATOM 0 H ALA A 78 14.173 0.528 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 78 15.908 0.065 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.178 1.914 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.600 0.751 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.762 2.307 -2.789 1.00 0.00 H new ATOM 1209 N ILE A 79 13.982 2.739 -0.502 1.00 0.00 N ATOM 1210 CA ILE A 79 13.451 3.777 0.378 1.00 0.00 C ATOM 1211 C ILE A 79 12.938 3.161 1.695 1.00 0.00 C ATOM 1212 O ILE A 79 13.065 3.780 2.759 1.00 0.00 O ATOM 1213 CB ILE A 79 12.375 4.554 -0.418 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.052 5.674 -1.231 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.241 5.094 0.459 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.179 6.196 -2.376 1.00 0.00 C ATOM 0 H ILE A 79 13.515 2.709 -1.408 1.00 0.00 H new ATOM 0 HA ILE A 79 14.223 4.483 0.683 1.00 0.00 H new ATOM 0 HB ILE A 79 11.895 3.851 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.299 6.500 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.992 5.302 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.522 5.628 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.742 4.264 0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.651 5.775 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.712 6.983 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.953 5.380 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.250 6.597 -1.971 1.00 0.00 H new ATOM 1228 N ALA A 80 12.373 1.951 1.632 1.00 0.00 N ATOM 1229 CA ALA A 80 11.827 1.226 2.766 1.00 0.00 C ATOM 1230 C ALA A 80 12.771 0.149 3.313 1.00 0.00 C ATOM 1231 O ALA A 80 12.455 -0.501 4.314 1.00 0.00 O ATOM 1232 CB ALA A 80 10.487 0.687 2.302 1.00 0.00 C ATOM 0 H ALA A 80 12.284 1.438 0.755 1.00 0.00 H new ATOM 0 HA ALA A 80 11.699 1.884 3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.020 0.128 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.841 1.516 2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.636 0.029 1.446 1.00 0.00 H new ATOM 1238 N ALA A 81 13.908 -0.081 2.656 1.00 0.00 N ATOM 1239 CA ALA A 81 14.896 -1.050 3.096 1.00 0.00 C ATOM 1240 C ALA A 81 15.544 -0.467 4.374 1.00 0.00 C ATOM 1241 O ALA A 81 15.413 0.742 4.617 1.00 0.00 O ATOM 1242 CB ALA A 81 15.915 -1.254 1.965 1.00 0.00 C ATOM 0 H ALA A 81 14.166 0.407 1.798 1.00 0.00 H new ATOM 0 HA ALA A 81 14.466 -2.025 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.666 -1.980 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.403 -1.622 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.400 -0.305 1.737 1.00 0.00 H new ATOM 1248 N PRO A 82 16.313 -1.223 5.175 1.00 0.00 N ATOM 1249 CA PRO A 82 16.707 -2.631 5.078 1.00 0.00 C ATOM 1250 C PRO A 82 15.696 -3.572 5.743 1.00 0.00 C ATOM 1251 O PRO A 82 15.952 -4.178 6.781 1.00 0.00 O ATOM 1252 CB PRO A 82 18.057 -2.663 5.786 1.00 0.00 C ATOM 1253 CG PRO A 82 17.780 -1.733 6.959 1.00 0.00 C ATOM 1254 CD PRO A 82 16.980 -0.621 6.317 1.00 0.00 C ATOM 0 HA PRO A 82 16.753 -2.980 4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 82 18.331 -3.667 6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.866 -2.300 5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.219 -2.233 7.748 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.701 -1.362 7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.256 -0.205 7.018 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.629 0.197 6.005 1.00 0.00 H new ATOM 1262 N ALA A 83 14.529 -3.679 5.136 1.00 0.00 N ATOM 1263 CA ALA A 83 13.412 -4.503 5.563 1.00 0.00 C ATOM 1264 C ALA A 83 12.838 -5.246 4.338 1.00 0.00 C ATOM 1265 O ALA A 83 13.326 -5.047 3.217 1.00 0.00 O ATOM 1266 CB ALA A 83 12.448 -3.598 6.314 1.00 0.00 C ATOM 0 H ALA A 83 14.323 -3.163 4.281 1.00 0.00 H new ATOM 0 HA ALA A 83 13.688 -5.298 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.591 -4.181 6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.954 -3.162 7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.106 -2.802 5.653 1.00 0.00 H new ATOM 1272 N GLU A 84 11.887 -6.155 4.539 1.00 0.00 N ATOM 1273 CA GLU A 84 11.252 -6.983 3.509 1.00 0.00 C ATOM 1274 C GLU A 84 10.054 -6.288 2.857 1.00 0.00 C ATOM 1275 O GLU A 84 8.961 -6.220 3.424 1.00 0.00 O ATOM 1276 CB GLU A 84 10.830 -8.347 4.074 1.00 0.00 C ATOM 1277 CG GLU A 84 11.983 -9.180 4.640 1.00 0.00 C ATOM 1278 CD GLU A 84 11.531 -10.630 4.828 1.00 0.00 C ATOM 1279 OE1 GLU A 84 11.016 -10.982 5.910 1.00 0.00 O ATOM 1280 OE2 GLU A 84 11.698 -11.430 3.877 1.00 0.00 O ATOM 0 H GLU A 84 11.518 -6.346 5.470 1.00 0.00 H new ATOM 0 HA GLU A 84 12.002 -7.140 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.092 -8.189 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.339 -8.917 3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.838 -9.141 3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.310 -8.765 5.593 1.00 0.00 H new ATOM 1287 N ILE A 85 10.257 -5.780 1.639 1.00 0.00 N ATOM 1288 CA ILE A 85 9.244 -5.067 0.870 1.00 0.00 C ATOM 1289 C ILE A 85 8.585 -6.007 -0.148 1.00 0.00 C ATOM 1290 O ILE A 85 9.242 -6.865 -0.744 1.00 0.00 O ATOM 1291 CB ILE A 85 9.909 -3.796 0.272 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.923 -2.600 1.246 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.216 -3.343 -1.016 1.00 0.00 C ATOM 1294 CD1 ILE A 85 10.181 -2.934 2.720 1.00 0.00 C ATOM 0 H ILE A 85 11.150 -5.857 1.153 1.00 0.00 H new ATOM 0 HA ILE A 85 8.416 -4.728 1.492 1.00 0.00 H new ATOM 0 HB ILE A 85 10.937 -4.095 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.687 -1.897 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.964 -2.087 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.711 -2.452 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.272 -4.139 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.171 -3.115 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.168 -2.017 3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.405 -3.608 3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.154 -3.415 2.819 1.00 0.00 H new ATOM 1306 N PHE A 86 7.280 -5.806 -0.382 1.00 0.00 N ATOM 1307 CA PHE A 86 6.469 -6.583 -1.315 1.00 0.00 C ATOM 1308 C PHE A 86 5.435 -5.723 -2.045 1.00 0.00 C ATOM 1309 O PHE A 86 5.382 -4.504 -1.840 1.00 0.00 O ATOM 1310 CB PHE A 86 5.847 -7.777 -0.574 1.00 0.00 C ATOM 1311 CG PHE A 86 6.834 -8.641 0.187 1.00 0.00 C ATOM 1312 CD1 PHE A 86 7.025 -8.455 1.566 1.00 0.00 C ATOM 1313 CD2 PHE A 86 7.584 -9.614 -0.486 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.907 -9.282 2.279 1.00 0.00 C ATOM 1315 CE2 PHE A 86 8.493 -10.425 0.214 1.00 0.00 C ATOM 1316 CZ PHE A 86 8.644 -10.270 1.602 1.00 0.00 C ATOM 0 H PHE A 86 6.749 -5.074 0.090 1.00 0.00 H new ATOM 0 HA PHE A 86 7.112 -6.972 -2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.100 -7.402 0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.322 -8.401 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.490 -7.671 2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.463 -9.742 -1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.019 -9.160 3.346 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.075 -11.166 -0.314 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.324 -10.908 2.147 1.00 0.00 H new ATOM 1326 N LEU A 87 4.682 -6.331 -2.970 1.00 0.00 N ATOM 1327 CA LEU A 87 3.666 -5.696 -3.791 1.00 0.00 C ATOM 1328 C LEU A 87 2.373 -6.490 -3.661 1.00 0.00 C ATOM 1329 O LEU A 87 2.391 -7.712 -3.815 1.00 0.00 O ATOM 1330 CB LEU A 87 4.137 -5.662 -5.258 1.00 0.00 C ATOM 1331 CG LEU A 87 3.840 -4.296 -5.878 1.00 0.00 C ATOM 1332 CD1 LEU A 87 4.918 -3.286 -5.467 1.00 0.00 C ATOM 1333 CD2 LEU A 87 3.794 -4.393 -7.403 1.00 0.00 C ATOM 0 H LEU A 87 4.776 -7.327 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 87 3.495 -4.671 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.206 -5.868 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.635 -6.444 -5.827 1.00 0.00 H new ATOM 0 HG LEU A 87 2.868 -3.962 -5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.697 -2.316 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.932 -3.191 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.892 -3.632 -5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.581 -3.410 -7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.756 -4.746 -7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.012 -5.092 -7.700 1.00 0.00 H new ATOM 1345 N LEU A 88 1.263 -5.801 -3.404 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.068 -6.383 -3.212 1.00 0.00 C ATOM 1347 C LEU A 88 -0.849 -6.729 -4.498 1.00 0.00 C ATOM 1348 O LEU A 88 -2.012 -7.117 -4.395 1.00 0.00 O ATOM 1349 CB LEU A 88 -0.866 -5.454 -2.273 1.00 0.00 C ATOM 1350 CG LEU A 88 -1.243 -6.134 -0.950 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -1.817 -5.104 0.024 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.216 -7.287 -1.168 1.00 0.00 C ATOM 0 H LEU A 88 1.264 -4.784 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 88 0.077 -7.365 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.276 -4.562 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.773 -5.124 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.338 -6.559 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.082 -5.596 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.072 -4.332 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.707 -4.649 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.460 -7.744 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.127 -6.911 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.758 -8.032 -1.819 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.211 -6.603 -5.669 1.00 0.00 N ATOM 1365 CA GLU A 89 -0.696 -6.872 -7.031 1.00 0.00 C ATOM 1366 C GLU A 89 -1.355 -5.648 -7.691 1.00 0.00 C ATOM 1367 O GLU A 89 -2.471 -5.251 -7.379 1.00 0.00 O ATOM 1368 CB GLU A 89 -1.576 -8.141 -7.160 1.00 0.00 C ATOM 1369 CG GLU A 89 -1.756 -8.495 -8.649 1.00 0.00 C ATOM 1370 CD GLU A 89 -2.535 -9.784 -8.945 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -2.386 -10.299 -10.082 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -3.297 -10.276 -8.086 1.00 0.00 O ATOM 0 H GLU A 89 0.755 -6.277 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 89 0.211 -7.089 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.112 -8.973 -6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.548 -7.971 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.265 -7.666 -9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.769 -8.578 -9.104 1.00 0.00 H new ATOM 1379 N ASP A 90 -0.680 -5.077 -8.686 1.00 0.00 N ATOM 1380 CA ASP A 90 -1.133 -3.922 -9.453 1.00 0.00 C ATOM 1381 C ASP A 90 -1.037 -2.602 -8.678 1.00 0.00 C ATOM 1382 O ASP A 90 0.051 -2.251 -8.210 1.00 0.00 O ATOM 1383 CB ASP A 90 -2.423 -4.200 -10.246 1.00 0.00 C ATOM 1384 CG ASP A 90 -2.486 -3.297 -11.477 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -1.647 -3.460 -12.397 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -3.295 -2.345 -11.515 1.00 0.00 O ATOM 0 H ASP A 90 0.231 -5.420 -8.990 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.413 -3.749 -10.253 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.454 -5.246 -10.551 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.293 -4.026 -9.613 1.00 0.00 H new ATOM 1391 N GLY A 91 -2.111 -1.817 -8.622 1.00 0.00 N ATOM 1392 CA GLY A 91 -2.180 -0.533 -7.942 1.00 0.00 C ATOM 1393 C GLY A 91 -3.141 -0.661 -6.778 1.00 0.00 C ATOM 1394 O GLY A 91 -2.734 -0.542 -5.637 1.00 0.00 O ATOM 0 H GLY A 91 -2.992 -2.072 -9.069 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.192 -0.238 -7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.518 0.243 -8.629 1.00 0.00 H new ATOM 1398 N ILE A 92 -4.417 -0.874 -7.068 1.00 0.00 N ATOM 1399 CA ILE A 92 -5.504 -1.067 -6.105 1.00 0.00 C ATOM 1400 C ILE A 92 -6.371 -2.237 -6.596 1.00 0.00 C ATOM 1401 O ILE A 92 -7.214 -2.756 -5.866 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.266 0.265 -5.867 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -6.522 0.560 -4.377 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.564 0.436 -6.670 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.318 -0.489 -3.594 1.00 0.00 C ATOM 0 H ILE A 92 -4.744 -0.920 -8.033 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.129 -1.340 -5.119 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.569 1.007 -6.257 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.558 0.692 -3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.049 1.511 -4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.016 1.398 -6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.340 0.396 -7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.258 -0.365 -6.415 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.429 -0.164 -2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.303 -0.609 -4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.788 -1.441 -3.620 1.00 0.00 H new ATOM 1417 N ASP A 93 -6.151 -2.671 -7.844 1.00 0.00 N ATOM 1418 CA ASP A 93 -6.858 -3.756 -8.498 1.00 0.00 C ATOM 1419 C ASP A 93 -6.592 -5.043 -7.726 1.00 0.00 C ATOM 1420 O ASP A 93 -7.498 -5.854 -7.624 1.00 0.00 O ATOM 1421 CB ASP A 93 -6.465 -3.761 -9.981 1.00 0.00 C ATOM 1422 CG ASP A 93 -6.930 -4.971 -10.788 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -8.150 -5.150 -10.982 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -6.062 -5.633 -11.409 1.00 0.00 O ATOM 0 H ASP A 93 -5.441 -2.250 -8.444 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.942 -3.638 -8.487 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.867 -2.861 -10.447 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.379 -3.698 -10.050 1.00 0.00 H new ATOM 1429 N GLY A 94 -5.430 -5.179 -7.069 1.00 0.00 N ATOM 1430 CA GLY A 94 -5.072 -6.338 -6.265 1.00 0.00 C ATOM 1431 C GLY A 94 -6.033 -6.507 -5.091 1.00 0.00 C ATOM 1432 O GLY A 94 -6.419 -7.627 -4.775 1.00 0.00 O ATOM 0 H GLY A 94 -4.702 -4.465 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.088 -7.234 -6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.054 -6.226 -5.893 1.00 0.00 H new ATOM 1436 N TRP A 95 -6.457 -5.416 -4.438 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.385 -5.536 -3.316 1.00 0.00 C ATOM 1438 C TRP A 95 -8.708 -6.107 -3.862 1.00 0.00 C ATOM 1439 O TRP A 95 -9.245 -7.116 -3.395 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.637 -4.209 -2.614 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.504 -4.362 -1.400 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.589 -3.609 -1.153 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.424 -5.319 -0.287 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.126 -3.971 0.060 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.437 -4.994 0.657 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -7.569 -6.388 0.066 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -9.582 -5.656 1.887 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -7.691 -7.059 1.297 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -8.685 -6.682 2.219 1.00 0.00 C ATOM 0 H TRP A 95 -6.177 -4.462 -4.664 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.945 -6.196 -2.568 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.684 -3.768 -2.323 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.110 -3.516 -3.310 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -9.978 -2.841 -1.805 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -10.947 -3.527 0.470 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.802 -6.698 -0.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.373 -5.379 2.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.017 -7.869 1.536 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -8.757 -7.179 3.175 1.00 0.00 H new ATOM 1460 N LYS A 96 -9.226 -5.453 -4.913 1.00 0.00 N ATOM 1461 CA LYS A 96 -10.468 -5.834 -5.586 1.00 0.00 C ATOM 1462 C LYS A 96 -10.383 -7.240 -6.183 1.00 0.00 C ATOM 1463 O LYS A 96 -11.403 -7.920 -6.259 1.00 0.00 O ATOM 1464 CB LYS A 96 -10.816 -4.772 -6.639 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.092 -5.112 -7.423 1.00 0.00 C ATOM 1466 CD LYS A 96 -12.582 -3.904 -8.228 1.00 0.00 C ATOM 1467 CE LYS A 96 -13.777 -4.282 -9.108 1.00 0.00 C ATOM 1468 NZ LYS A 96 -13.358 -5.031 -10.310 1.00 0.00 N ATOM 0 H LYS A 96 -8.782 -4.631 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.274 -5.873 -4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.942 -3.807 -6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.983 -4.669 -7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.898 -5.947 -8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.872 -5.434 -6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.865 -3.100 -7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.772 -3.524 -8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.478 -4.885 -8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.307 -3.378 -9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.193 -5.254 -10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.696 -4.453 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.890 -5.914 -10.023 1.00 0.00 H new ATOM 1482 N LYS A 97 -9.192 -7.720 -6.538 1.00 0.00 N ATOM 1483 CA LYS A 97 -8.913 -9.040 -7.105 1.00 0.00 C ATOM 1484 C LYS A 97 -9.447 -10.114 -6.163 1.00 0.00 C ATOM 1485 O LYS A 97 -10.063 -11.083 -6.607 1.00 0.00 O ATOM 1486 CB LYS A 97 -7.388 -9.153 -7.289 1.00 0.00 C ATOM 1487 CG LYS A 97 -6.887 -9.613 -8.651 1.00 0.00 C ATOM 1488 CD LYS A 97 -6.815 -11.134 -8.739 1.00 0.00 C ATOM 1489 CE LYS A 97 -5.808 -11.484 -9.829 1.00 0.00 C ATOM 1490 NZ LYS A 97 -5.714 -12.939 -9.989 1.00 0.00 N ATOM 0 H LYS A 97 -8.344 -7.164 -6.431 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.402 -9.175 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.949 -8.178 -7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.007 -9.844 -6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.549 -9.234 -9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.900 -9.190 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.508 -11.559 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.794 -11.551 -8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.109 -11.027 -10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.830 -11.076 -9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.024 -13.162 -10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.406 -13.368 -9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.645 -13.320 -10.253 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.226 -9.943 -4.856 1.00 0.00 N ATOM 1505 CA ALA A 98 -9.697 -10.866 -3.830 1.00 0.00 C ATOM 1506 C ALA A 98 -11.208 -10.737 -3.603 1.00 0.00 C ATOM 1507 O ALA A 98 -11.796 -11.516 -2.852 1.00 0.00 O ATOM 1508 CB ALA A 98 -8.975 -10.557 -2.524 1.00 0.00 C ATOM 0 H ALA A 98 -8.708 -9.148 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.489 -11.883 -4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.318 -11.241 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.901 -10.678 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.189 -9.531 -2.224 1.00 0.00 H new ATOM 1514 N GLY A 99 -11.851 -9.746 -4.215 1.00 0.00 N ATOM 1515 CA GLY A 99 -13.268 -9.471 -4.115 1.00 0.00 C ATOM 1516 C GLY A 99 -13.632 -8.662 -2.880 1.00 0.00 C ATOM 1517 O GLY A 99 -14.824 -8.522 -2.595 1.00 0.00 O ATOM 0 H GLY A 99 -11.367 -9.085 -4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.591 -8.930 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.815 -10.414 -4.099 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.646 -8.146 -2.143 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.861 -7.372 -0.933 1.00 0.00 C ATOM 1523 C LEU A 100 -13.013 -5.887 -1.269 1.00 0.00 C ATOM 1524 O LEU A 100 -12.317 -5.385 -2.155 1.00 0.00 O ATOM 1525 CB LEU A 100 -11.643 -7.545 -0.011 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.525 -8.954 0.602 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.094 -9.273 1.026 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -12.430 -9.084 1.830 1.00 0.00 C ATOM 0 H LEU A 100 -11.661 -8.260 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.769 -7.723 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.737 -7.327 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.701 -6.812 0.794 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.831 -9.658 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.056 -10.275 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.437 -9.223 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.765 -8.549 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.333 -10.086 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.136 -8.348 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.466 -8.911 1.538 1.00 0.00 H new ATOM 1540 N PRO A 101 -13.920 -5.160 -0.599 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.109 -3.735 -0.812 1.00 0.00 C ATOM 1542 C PRO A 101 -13.106 -2.976 0.069 1.00 0.00 C ATOM 1543 O PRO A 101 -12.640 -3.484 1.095 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.542 -3.474 -0.359 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.653 -4.410 0.843 1.00 0.00 C ATOM 1546 CD PRO A 101 -14.820 -5.627 0.443 1.00 0.00 C ATOM 0 HA PRO A 101 -13.951 -3.416 -1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.702 -2.432 -0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.268 -3.714 -1.135 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.267 -3.943 1.749 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.689 -4.684 1.041 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.264 -6.018 1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.455 -6.434 0.079 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.792 -1.734 -0.273 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.871 -0.879 0.470 1.00 0.00 C ATOM 1556 C VAL A 102 -12.607 -0.313 1.701 1.00 0.00 C ATOM 1557 O VAL A 102 -13.787 -0.617 1.914 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.447 0.266 -0.482 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.366 -0.181 -1.466 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.640 0.809 -1.293 1.00 0.00 C ATOM 0 H VAL A 102 -13.181 -1.279 -1.099 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.993 -1.427 0.812 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.053 1.053 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.098 0.653 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.485 -0.509 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.743 -1.005 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.300 1.611 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.067 0.006 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.398 1.195 -0.611 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.924 0.469 2.547 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.557 1.088 3.707 1.00 0.00 C ATOM 1572 C ALA A 103 -13.285 2.316 3.146 1.00 0.00 C ATOM 1573 O ALA A 103 -12.756 3.430 3.137 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.539 1.455 4.794 1.00 0.00 C ATOM 0 H ALA A 103 -10.932 0.685 2.445 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.246 0.407 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.056 1.913 5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.024 0.555 5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.812 2.159 4.389 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.441 2.086 2.530 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.245 3.142 1.948 1.00 0.00 C ATOM 1582 C VAL A 104 -16.123 3.767 3.014 1.00 0.00 C ATOM 1583 O VAL A 104 -16.530 3.120 3.979 1.00 0.00 O ATOM 1584 CB VAL A 104 -16.100 2.646 0.757 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.364 3.003 -0.534 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.474 1.155 0.781 1.00 0.00 C ATOM 0 H VAL A 104 -14.843 1.155 2.423 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.563 3.895 1.552 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.063 3.152 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.946 2.664 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.231 4.083 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.388 2.517 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.072 0.916 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.566 0.552 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.049 0.939 1.681 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.489 5.008 2.712 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.325 5.889 3.485 1.00 0.00 C ATOM 1598 C ASN A 105 -16.873 6.040 4.938 1.00 0.00 C ATOM 1599 O ASN A 105 -17.416 5.388 5.828 1.00 0.00 O ATOM 1600 CB ASN A 105 -18.801 5.505 3.318 1.00 0.00 C ATOM 1601 CG ASN A 105 -19.735 6.496 3.991 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -19.455 7.787 3.915 1.00 0.00 O flip ATOM 1603 ND2 ASN A 105 -20.761 6.106 4.545 1.00 0.00 N flip ATOM 0 H ASN A 105 -16.177 5.450 1.847 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.212 6.896 3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -19.041 5.447 2.256 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.965 4.512 3.737 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -20.965 5.108 4.597 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -21.408 6.781 4.953 1.00 0.00 H new ATOM 1610 N LYS A 106 -15.944 6.981 5.158 1.00 0.00 N ATOM 1611 CA LYS A 106 -15.337 7.357 6.438 1.00 0.00 C ATOM 1612 C LYS A 106 -14.453 6.260 7.032 1.00 0.00 C ATOM 1613 O LYS A 106 -14.243 5.194 6.453 1.00 0.00 O ATOM 1614 CB LYS A 106 -16.414 7.857 7.433 1.00 0.00 C ATOM 1615 CG LYS A 106 -16.439 9.373 7.644 1.00 0.00 C ATOM 1616 CD LYS A 106 -16.807 10.160 6.379 1.00 0.00 C ATOM 1617 CE LYS A 106 -17.325 11.555 6.749 1.00 0.00 C ATOM 1618 NZ LYS A 106 -16.344 12.362 7.509 1.00 0.00 N ATOM 0 H LYS A 106 -15.572 7.538 4.389 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.660 8.187 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -17.394 7.538 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -16.251 7.373 8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -17.154 9.611 8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.460 9.700 7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.935 10.249 5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -17.568 9.620 5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -17.595 12.088 5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -18.235 11.452 7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.728 13.315 7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.155 11.907 8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.459 12.432 6.968 1.00 0.00 H new ATOM 1632 N SER A 107 -13.851 6.582 8.176 1.00 0.00 N ATOM 1633 CA SER A 107 -12.967 5.716 8.938 1.00 0.00 C ATOM 1634 C SER A 107 -13.771 4.774 9.842 1.00 0.00 C ATOM 1635 O SER A 107 -13.157 4.048 10.623 1.00 0.00 O ATOM 1636 CB SER A 107 -12.036 6.611 9.779 1.00 0.00 C ATOM 1637 OG SER A 107 -10.733 6.094 9.937 1.00 0.00 O ATOM 0 H SER A 107 -13.975 7.496 8.612 1.00 0.00 H new ATOM 0 HA SER A 107 -12.382 5.093 8.261 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.972 7.593 9.310 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.480 6.756 10.764 1.00 0.00 H new ATOM 0 HG SER A 107 -10.199 6.713 10.478 1.00 0.00 H new ATOM 1643 N GLN A 108 -15.108 4.804 9.829 1.00 0.00 N ATOM 1644 CA GLN A 108 -15.946 3.965 10.665 1.00 0.00 C ATOM 1645 C GLN A 108 -17.286 3.797 9.971 1.00 0.00 C ATOM 1646 O GLN A 108 -17.766 2.648 9.905 1.00 0.00 O ATOM 1647 CB GLN A 108 -16.098 4.659 12.029 1.00 0.00 C ATOM 1648 CG GLN A 108 -16.667 3.735 13.106 1.00 0.00 C ATOM 1649 CD GLN A 108 -16.603 4.371 14.494 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -16.625 5.590 14.654 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -16.510 3.571 15.540 1.00 0.00 N ATOM 0 H GLN A 108 -15.640 5.428 9.222 1.00 0.00 H new ATOM 0 HA GLN A 108 -15.512 2.978 10.822 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -15.126 5.030 12.353 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -16.750 5.526 11.919 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -17.702 3.491 12.866 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -16.111 2.797 13.110 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -16.492 2.560 15.409 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -16.457 3.964 16.480 1.00 0.00 H new TER 1660 GLN A 108