USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 660 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 66 HIS : no HE2:sc= -1.99! C(o=-2.5!,f=-22!) USER MOD Set 1.2: A 67 LYS NZ :NH3+ -138:sc= -0.528! (180deg=0) USER MOD Set 2.1: A 6 THR OG1 : rot -170:sc= -0.0477 USER MOD Set 2.2: A 29 SER OG : rot 171:sc= -0.744 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0716 K(o=-0.072,f=-0.61) USER MOD Single : A 23 SER OG : rot -24:sc= -0.0493 USER MOD Single : A 25 GLN : amide:sc= -0.0188 K(o=-0.019,f=-1.3!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0.00481 USER MOD Single : A 32 SER OG : rot 180:sc= -0.31 USER MOD Single : A 34 GLN : amide:sc= -0.369 K(o=-0.37,f=-2.7!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0287 K(o=-0.029,f=-1.5!) USER MOD Single : A 50 MET CE :methyl 159:sc= -0.217 (180deg=-0.797) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00523 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot -12:sc= -1.93! USER MOD Single : A 61 HIS : no HE2:sc= 0.111 K(o=0.11,f=-2.3) USER MOD Single : A 64 THR OG1 : rot 180:sc= -2.41! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.517 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-3.3!) USER MOD Single : A 82 THR OG1 : rot 116:sc= -1.6! USER MOD Single : A 83 CYS SG : rot 180:sc= 0.312 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -25:sc= 0.65 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0184 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 59.344 -10.172 14.788 1.00 0.00 N ATOM 45 CA GLU A 4 60.329 -10.556 13.775 1.00 0.00 C ATOM 46 C GLU A 4 60.742 -9.348 12.938 1.00 0.00 C ATOM 47 O GLU A 4 59.995 -8.377 12.824 1.00 0.00 O ATOM 48 CB GLU A 4 59.740 -11.641 12.869 1.00 0.00 C ATOM 49 CG GLU A 4 60.824 -12.163 11.922 1.00 0.00 C ATOM 50 CD GLU A 4 60.285 -13.332 11.102 1.00 0.00 C ATOM 51 OE1 GLU A 4 60.344 -13.256 9.886 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.815 -14.286 11.703 1.00 0.00 O1- ATOM 0 HA GLU A 4 61.214 -10.944 14.279 1.00 0.00 H new ATOM 0 HB2 GLU A 4 59.346 -12.458 13.473 1.00 0.00 H new ATOM 0 HB3 GLU A 4 58.906 -11.237 12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.153 -11.364 11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.695 -12.481 12.494 1.00 0.00 H new ATOM 59 N VAL A 5 61.933 -9.420 12.348 1.00 0.00 N ATOM 60 CA VAL A 5 62.434 -8.329 11.516 1.00 0.00 C ATOM 61 C VAL A 5 61.493 -8.120 10.343 1.00 0.00 C ATOM 62 O VAL A 5 61.107 -9.091 9.693 1.00 0.00 O ATOM 63 CB VAL A 5 63.831 -8.681 10.963 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.534 -7.393 10.506 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.669 -9.417 12.041 1.00 0.00 C ATOM 0 H VAL A 5 62.565 -10.216 12.430 1.00 0.00 H new ATOM 0 HA VAL A 5 62.496 -7.425 12.122 1.00 0.00 H new ATOM 0 HB VAL A 5 63.727 -9.350 10.109 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.522 -7.637 10.114 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.943 -6.913 9.726 1.00 0.00 H new ATOM 0 HG13 VAL A 5 64.637 -6.714 11.353 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.652 -9.659 11.636 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.784 -8.774 12.914 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.161 -10.336 12.332 1.00 0.00 H new ATOM 75 N THR A 6 61.119 -6.869 10.057 1.00 0.00 N ATOM 76 CA THR A 6 60.205 -6.615 8.919 1.00 0.00 C ATOM 77 C THR A 6 60.925 -5.875 7.801 1.00 0.00 C ATOM 78 O THR A 6 61.602 -4.889 8.047 1.00 0.00 O ATOM 79 CB THR A 6 58.987 -5.797 9.357 1.00 0.00 C ATOM 80 OG1 THR A 6 58.455 -6.338 10.561 1.00 0.00 O ATOM 81 CG2 THR A 6 57.927 -5.858 8.254 1.00 0.00 C ATOM 0 H THR A 6 61.417 -6.039 10.570 1.00 0.00 H new ATOM 0 HA THR A 6 59.868 -7.585 8.554 1.00 0.00 H new ATOM 0 HB THR A 6 59.281 -4.762 9.531 1.00 0.00 H new ATOM 0 HG1 THR A 6 57.591 -5.918 10.755 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.054 -5.278 8.555 1.00 0.00 H new ATOM 0 HG22 THR A 6 58.337 -5.444 7.332 1.00 0.00 H new ATOM 0 HG23 THR A 6 57.634 -6.895 8.088 1.00 0.00 H new ATOM 89 N ILE A 7 60.784 -6.364 6.563 1.00 0.00 N ATOM 90 CA ILE A 7 61.439 -5.729 5.407 1.00 0.00 C ATOM 91 C ILE A 7 60.427 -5.272 4.359 1.00 0.00 C ATOM 92 O ILE A 7 59.647 -6.072 3.840 1.00 0.00 O ATOM 93 CB ILE A 7 62.416 -6.705 4.740 1.00 0.00 C ATOM 94 CG1 ILE A 7 63.153 -7.513 5.817 1.00 0.00 C ATOM 95 CG2 ILE A 7 63.428 -5.916 3.894 1.00 0.00 C ATOM 96 CD1 ILE A 7 64.373 -8.227 5.214 1.00 0.00 C ATOM 0 H ILE A 7 60.229 -7.189 6.334 1.00 0.00 H new ATOM 0 HA ILE A 7 61.972 -4.858 5.788 1.00 0.00 H new ATOM 0 HB ILE A 7 61.865 -7.390 4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 7 63.473 -6.851 6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 7 62.476 -8.246 6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 7 64.123 -6.608 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 7 62.899 -5.350 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 7 63.981 -5.229 4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.883 -8.795 5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 7 64.045 -8.905 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 7 65.057 -7.488 4.796 1.00 0.00 H new ATOM 108 N LEU A 8 60.480 -3.984 4.028 1.00 0.00 N ATOM 109 CA LEU A 8 59.601 -3.410 3.001 1.00 0.00 C ATOM 110 C LEU A 8 60.443 -2.600 2.010 1.00 0.00 C ATOM 111 O LEU A 8 60.667 -1.404 2.204 1.00 0.00 O ATOM 112 CB LEU A 8 58.517 -2.525 3.659 1.00 0.00 C ATOM 113 CG LEU A 8 57.178 -2.610 2.898 1.00 0.00 C ATOM 114 CD1 LEU A 8 57.382 -2.155 1.445 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.617 -4.052 2.941 1.00 0.00 C ATOM 0 H LEU A 8 61.121 -3.314 4.454 1.00 0.00 H new ATOM 0 HA LEU A 8 59.096 -4.212 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 8 58.369 -2.837 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.857 -1.490 3.684 1.00 0.00 H new ATOM 0 HG LEU A 8 56.454 -1.952 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.435 -2.216 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.741 -1.126 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 8 58.115 -2.800 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.672 -4.091 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.330 -4.734 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 8 56.453 -4.348 3.977 1.00 0.00 H new ATOM 127 N GLU A 9 60.920 -3.263 0.952 1.00 0.00 N ATOM 128 CA GLU A 9 61.758 -2.605 -0.060 1.00 0.00 C ATOM 129 C GLU A 9 61.128 -2.705 -1.451 1.00 0.00 C ATOM 130 O GLU A 9 61.496 -3.577 -2.236 1.00 0.00 O ATOM 131 CB GLU A 9 63.129 -3.289 -0.087 1.00 0.00 C ATOM 132 CG GLU A 9 62.943 -4.812 0.022 1.00 0.00 C ATOM 133 CD GLU A 9 64.177 -5.525 -0.514 1.00 0.00 C ATOM 134 OE1 GLU A 9 64.102 -6.726 -0.729 1.00 0.00 O ATOM 135 OE2 GLU A 9 65.178 -4.860 -0.705 1.00 0.00 O1- ATOM 0 H GLU A 9 60.742 -4.251 0.773 1.00 0.00 H new ATOM 0 HA GLU A 9 61.854 -1.551 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.653 -3.041 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.744 -2.927 0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 9 62.773 -5.093 1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 9 62.061 -5.121 -0.540 1.00 0.00 H new ATOM 142 N PRO A 10 60.212 -1.829 -1.786 1.00 0.00 N ATOM 143 CA PRO A 10 59.559 -1.837 -3.120 1.00 0.00 C ATOM 144 C PRO A 10 60.500 -1.320 -4.210 1.00 0.00 C ATOM 145 O PRO A 10 60.206 -1.438 -5.399 1.00 0.00 O ATOM 146 CB PRO A 10 58.309 -0.936 -2.950 1.00 0.00 C ATOM 147 CG PRO A 10 58.307 -0.465 -1.513 1.00 0.00 C ATOM 148 CD PRO A 10 59.702 -0.744 -0.944 1.00 0.00 C ATOM 0 HA PRO A 10 59.289 -2.843 -3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 10 58.346 -0.089 -3.635 1.00 0.00 H new ATOM 0 HB3 PRO A 10 57.398 -1.490 -3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.074 0.598 -1.457 1.00 0.00 H new ATOM 0 HG3 PRO A 10 57.544 -0.989 -0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 10 60.340 0.138 -0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.655 -1.039 0.104 1.00 0.00 H new ATOM 156 N LEU A 11 61.637 -0.752 -3.793 1.00 0.00 N ATOM 157 CA LEU A 11 62.622 -0.223 -4.742 1.00 0.00 C ATOM 158 C LEU A 11 63.651 -1.304 -5.082 1.00 0.00 C ATOM 159 O LEU A 11 64.855 -1.111 -4.920 1.00 0.00 O ATOM 160 CB LEU A 11 63.329 1.019 -4.149 1.00 0.00 C ATOM 161 CG LEU A 11 63.392 0.931 -2.615 1.00 0.00 C ATOM 162 CD1 LEU A 11 64.167 -0.321 -2.185 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.099 2.180 -2.067 1.00 0.00 C ATOM 0 H LEU A 11 61.896 -0.647 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 11 62.106 0.075 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 11 64.338 1.097 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 11 62.795 1.922 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 11 62.378 0.872 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 11 64.204 -0.370 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 11 63.667 -1.209 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 11 65.182 -0.274 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.147 2.123 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 11 65.109 2.233 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 11 63.543 3.071 -2.360 1.00 0.00 H new ATOM 175 N GLN A 12 63.162 -2.448 -5.543 1.00 0.00 N ATOM 176 CA GLN A 12 64.040 -3.559 -5.889 1.00 0.00 C ATOM 177 C GLN A 12 64.662 -3.369 -7.272 1.00 0.00 C ATOM 178 O GLN A 12 65.451 -4.197 -7.723 1.00 0.00 O ATOM 179 CB GLN A 12 63.258 -4.869 -5.842 1.00 0.00 C ATOM 180 CG GLN A 12 62.039 -4.781 -6.763 1.00 0.00 C ATOM 181 CD GLN A 12 61.237 -6.072 -6.662 1.00 0.00 C ATOM 182 OE1 GLN A 12 61.802 -7.136 -6.412 1.00 0.00 O ATOM 183 NE2 GLN A 12 59.949 -6.045 -6.854 1.00 0.00 N ATOM 0 H GLN A 12 62.169 -2.631 -5.685 1.00 0.00 H new ATOM 0 HA GLN A 12 64.850 -3.591 -5.160 1.00 0.00 H new ATOM 0 HB2 GLN A 12 63.898 -5.696 -6.149 1.00 0.00 H new ATOM 0 HB3 GLN A 12 62.939 -5.076 -4.820 1.00 0.00 H new ATOM 0 HG2 GLN A 12 61.418 -3.931 -6.482 1.00 0.00 H new ATOM 0 HG3 GLN A 12 62.358 -4.617 -7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 12 59.483 -5.162 -7.061 1.00 0.00 H new ATOM 0 HE22 GLN A 12 59.407 -6.907 -6.797 1.00 0.00 H new ATOM 192 N ASP A 13 64.306 -2.275 -7.941 1.00 0.00 N ATOM 193 CA ASP A 13 64.840 -1.985 -9.274 1.00 0.00 C ATOM 194 C ASP A 13 64.868 -0.472 -9.504 1.00 0.00 C ATOM 195 O ASP A 13 63.820 0.163 -9.633 1.00 0.00 O ATOM 196 CB ASP A 13 63.969 -2.667 -10.337 1.00 0.00 C ATOM 197 CG ASP A 13 64.655 -2.626 -11.698 1.00 0.00 C ATOM 198 OD1 ASP A 13 65.828 -2.960 -11.760 1.00 0.00 O ATOM 199 OD2 ASP A 13 63.997 -2.268 -12.661 1.00 0.00 O1- ATOM 0 H ASP A 13 63.653 -1.576 -7.586 1.00 0.00 H new ATOM 0 HA ASP A 13 65.857 -2.370 -9.348 1.00 0.00 H new ATOM 0 HB2 ASP A 13 63.779 -3.701 -10.050 1.00 0.00 H new ATOM 0 HB3 ASP A 13 63.001 -2.169 -10.396 1.00 0.00 H new ATOM 204 N VAL A 14 66.077 0.104 -9.528 1.00 0.00 N ATOM 205 CA VAL A 14 66.243 1.557 -9.711 1.00 0.00 C ATOM 206 C VAL A 14 67.073 1.861 -10.957 1.00 0.00 C ATOM 207 O VAL A 14 68.123 1.254 -11.175 1.00 0.00 O ATOM 208 CB VAL A 14 66.950 2.132 -8.472 1.00 0.00 C ATOM 209 CG1 VAL A 14 67.429 3.570 -8.726 1.00 0.00 C ATOM 210 CG2 VAL A 14 65.974 2.131 -7.291 1.00 0.00 C ATOM 0 H VAL A 14 66.953 -0.409 -9.424 1.00 0.00 H new ATOM 0 HA VAL A 14 65.261 2.013 -9.837 1.00 0.00 H new ATOM 0 HB VAL A 14 67.818 1.511 -8.251 1.00 0.00 H new ATOM 0 HG11 VAL A 14 67.925 3.951 -7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 14 68.129 3.578 -9.562 1.00 0.00 H new ATOM 0 HG13 VAL A 14 66.573 4.202 -8.963 1.00 0.00 H new ATOM 0 HG21 VAL A 14 66.469 2.538 -6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 14 65.107 2.744 -7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 14 65.651 1.110 -7.087 1.00 0.00 H new ATOM 220 N GLN A 15 66.605 2.815 -11.770 1.00 0.00 N ATOM 221 CA GLN A 15 67.323 3.199 -12.989 1.00 0.00 C ATOM 222 C GLN A 15 67.387 4.721 -13.130 1.00 0.00 C ATOM 223 O GLN A 15 66.420 5.360 -13.547 1.00 0.00 O ATOM 224 CB GLN A 15 66.624 2.596 -14.206 1.00 0.00 C ATOM 225 CG GLN A 15 66.792 1.075 -14.182 1.00 0.00 C ATOM 226 CD GLN A 15 65.997 0.448 -15.322 1.00 0.00 C ATOM 227 OE1 GLN A 15 64.847 0.822 -15.549 1.00 0.00 O ATOM 228 NE2 GLN A 15 66.542 -0.485 -16.058 1.00 0.00 N ATOM 0 H GLN A 15 65.740 3.331 -11.608 1.00 0.00 H new ATOM 0 HA GLN A 15 68.342 2.818 -12.924 1.00 0.00 H new ATOM 0 HB2 GLN A 15 65.566 2.857 -14.199 1.00 0.00 H new ATOM 0 HB3 GLN A 15 67.047 3.006 -15.123 1.00 0.00 H new ATOM 0 HG2 GLN A 15 67.846 0.815 -14.276 1.00 0.00 H new ATOM 0 HG3 GLN A 15 66.450 0.677 -13.226 1.00 0.00 H new ATOM 0 HE21 GLN A 15 67.496 -0.793 -15.867 1.00 0.00 H new ATOM 0 HE22 GLN A 15 66.014 -0.905 -16.823 1.00 0.00 H new ATOM 237 N LEU A 16 68.538 5.296 -12.765 1.00 0.00 N ATOM 238 CA LEU A 16 68.736 6.753 -12.832 1.00 0.00 C ATOM 239 C LEU A 16 69.828 7.125 -13.843 1.00 0.00 C ATOM 240 O LEU A 16 70.854 6.451 -13.938 1.00 0.00 O ATOM 241 CB LEU A 16 69.115 7.259 -11.435 1.00 0.00 C ATOM 242 CG LEU A 16 67.983 6.939 -10.442 1.00 0.00 C ATOM 243 CD1 LEU A 16 68.470 7.197 -9.017 1.00 0.00 C ATOM 244 CD2 LEU A 16 66.758 7.824 -10.721 1.00 0.00 C ATOM 0 H LEU A 16 69.347 4.778 -12.421 1.00 0.00 H new ATOM 0 HA LEU A 16 67.810 7.222 -13.166 1.00 0.00 H new ATOM 0 HB2 LEU A 16 70.043 6.790 -11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 16 69.294 8.334 -11.463 1.00 0.00 H new ATOM 0 HG LEU A 16 67.701 5.893 -10.559 1.00 0.00 H new ATOM 0 HD11 LEU A 16 67.670 6.971 -8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 16 69.330 6.561 -8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 16 68.758 8.243 -8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 16 65.967 7.585 -10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 16 67.035 8.873 -10.616 1.00 0.00 H new ATOM 0 HD23 LEU A 16 66.402 7.643 -11.735 1.00 0.00 H new ATOM 256 N SER A 17 69.596 8.205 -14.599 1.00 0.00 N ATOM 257 CA SER A 17 70.565 8.656 -15.602 1.00 0.00 C ATOM 258 C SER A 17 71.761 9.327 -14.935 1.00 0.00 C ATOM 259 O SER A 17 71.712 9.663 -13.753 1.00 0.00 O ATOM 260 CB SER A 17 69.909 9.644 -16.572 1.00 0.00 C ATOM 261 OG SER A 17 69.605 10.847 -15.882 1.00 0.00 O ATOM 0 H SER A 17 68.754 8.777 -14.536 1.00 0.00 H new ATOM 0 HA SER A 17 70.909 7.780 -16.153 1.00 0.00 H new ATOM 0 HB2 SER A 17 70.578 9.850 -17.408 1.00 0.00 H new ATOM 0 HB3 SER A 17 69.000 9.212 -16.990 1.00 0.00 H new ATOM 0 HG SER A 17 69.187 11.482 -16.500 1.00 0.00 H new ATOM 267 N GLU A 18 72.836 9.514 -15.699 1.00 0.00 N ATOM 268 CA GLU A 18 74.041 10.147 -15.167 1.00 0.00 C ATOM 269 C GLU A 18 73.789 11.626 -14.886 1.00 0.00 C ATOM 270 O GLU A 18 73.025 12.286 -15.594 1.00 0.00 O ATOM 271 CB GLU A 18 75.201 9.988 -16.159 1.00 0.00 C ATOM 272 CG GLU A 18 76.474 10.622 -15.588 1.00 0.00 C ATOM 273 CD GLU A 18 77.633 10.430 -16.558 1.00 0.00 C ATOM 274 OE1 GLU A 18 78.654 11.070 -16.366 1.00 0.00 O ATOM 275 OE2 GLU A 18 77.480 9.653 -17.485 1.00 0.00 O1- ATOM 0 H GLU A 18 72.897 9.239 -16.679 1.00 0.00 H new ATOM 0 HA GLU A 18 74.306 9.657 -14.230 1.00 0.00 H new ATOM 0 HB2 GLU A 18 75.372 8.931 -16.364 1.00 0.00 H new ATOM 0 HB3 GLU A 18 74.945 10.459 -17.108 1.00 0.00 H new ATOM 0 HG2 GLU A 18 76.312 11.685 -15.409 1.00 0.00 H new ATOM 0 HG3 GLU A 18 76.715 10.170 -14.626 1.00 0.00 H new ATOM 282 N GLY A 19 74.438 12.143 -13.845 1.00 0.00 N ATOM 283 CA GLY A 19 74.281 13.546 -13.471 1.00 0.00 C ATOM 284 C GLY A 19 73.047 13.739 -12.597 1.00 0.00 C ATOM 285 O GLY A 19 72.724 14.859 -12.196 1.00 0.00 O ATOM 0 H GLY A 19 75.074 11.614 -13.248 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.168 13.886 -12.936 1.00 0.00 H new ATOM 0 HA3 GLY A 19 74.196 14.159 -14.368 1.00 0.00 H new ATOM 289 N GLN A 20 72.356 12.633 -12.305 1.00 0.00 N ATOM 290 CA GLN A 20 71.145 12.672 -11.480 1.00 0.00 C ATOM 291 C GLN A 20 71.433 12.133 -10.085 1.00 0.00 C ATOM 292 O GLN A 20 72.270 11.247 -9.916 1.00 0.00 O ATOM 293 CB GLN A 20 70.055 11.819 -12.138 1.00 0.00 C ATOM 294 CG GLN A 20 68.734 11.965 -11.372 1.00 0.00 C ATOM 295 CD GLN A 20 68.204 13.389 -11.504 1.00 0.00 C ATOM 296 OE1 GLN A 20 68.238 13.968 -12.588 1.00 0.00 O ATOM 297 NE2 GLN A 20 67.718 13.992 -10.455 1.00 0.00 N ATOM 0 H GLN A 20 72.614 11.700 -12.627 1.00 0.00 H new ATOM 0 HA GLN A 20 70.810 13.706 -11.396 1.00 0.00 H new ATOM 0 HB2 GLN A 20 69.919 12.127 -13.175 1.00 0.00 H new ATOM 0 HB3 GLN A 20 70.361 10.773 -12.153 1.00 0.00 H new ATOM 0 HG2 GLN A 20 68.000 11.259 -11.760 1.00 0.00 H new ATOM 0 HG3 GLN A 20 68.886 11.722 -10.320 1.00 0.00 H new ATOM 0 HE21 GLN A 20 67.691 13.510 -9.557 1.00 0.00 H new ATOM 0 HE22 GLN A 20 67.365 14.946 -10.533 1.00 0.00 H new ATOM 306 N ASP A 21 70.729 12.662 -9.090 1.00 0.00 N ATOM 307 CA ASP A 21 70.919 12.209 -7.719 1.00 0.00 C ATOM 308 C ASP A 21 70.236 10.857 -7.518 1.00 0.00 C ATOM 309 O ASP A 21 69.286 10.521 -8.227 1.00 0.00 O ATOM 310 CB ASP A 21 70.356 13.242 -6.740 1.00 0.00 C ATOM 311 CG ASP A 21 68.837 13.344 -6.872 1.00 0.00 C ATOM 312 OD1 ASP A 21 68.261 12.539 -7.582 1.00 0.00 O ATOM 313 OD2 ASP A 21 68.272 14.226 -6.247 1.00 0.00 O1- ATOM 0 H ASP A 21 70.030 13.396 -9.205 1.00 0.00 H new ATOM 0 HA ASP A 21 71.986 12.095 -7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 21 70.619 12.963 -5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.808 14.215 -6.931 1.00 0.00 H new ATOM 318 N ALA A 22 70.736 10.075 -6.561 1.00 0.00 N ATOM 319 CA ALA A 22 70.178 8.747 -6.286 1.00 0.00 C ATOM 320 C ALA A 22 70.166 8.460 -4.791 1.00 0.00 C ATOM 321 O ALA A 22 71.039 8.919 -4.059 1.00 0.00 O ATOM 322 CB ALA A 22 71.023 7.689 -6.995 1.00 0.00 C ATOM 0 H ALA A 22 71.522 10.334 -5.965 1.00 0.00 H new ATOM 0 HA ALA A 22 69.152 8.719 -6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.612 6.700 -6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 22 71.012 7.874 -8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 22 72.049 7.737 -6.629 1.00 0.00 H new ATOM 328 N SER A 23 69.168 7.699 -4.344 1.00 0.00 N ATOM 329 CA SER A 23 69.056 7.359 -2.926 1.00 0.00 C ATOM 330 C SER A 23 68.116 6.177 -2.728 1.00 0.00 C ATOM 331 O SER A 23 67.439 5.755 -3.665 1.00 0.00 O ATOM 332 CB SER A 23 68.534 8.561 -2.142 1.00 0.00 C ATOM 333 OG SER A 23 69.366 9.684 -2.399 1.00 0.00 O ATOM 0 H SER A 23 68.433 7.310 -4.935 1.00 0.00 H new ATOM 0 HA SER A 23 70.046 7.086 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 23 67.506 8.781 -2.432 1.00 0.00 H new ATOM 0 HB3 SER A 23 68.524 8.338 -1.075 1.00 0.00 H new ATOM 0 HG SER A 23 70.254 9.376 -2.677 1.00 0.00 H new ATOM 339 N PHE A 24 68.069 5.654 -1.500 1.00 0.00 N ATOM 340 CA PHE A 24 67.187 4.522 -1.182 1.00 0.00 C ATOM 341 C PHE A 24 66.343 4.849 0.046 1.00 0.00 C ATOM 342 O PHE A 24 66.816 5.498 0.977 1.00 0.00 O ATOM 343 CB PHE A 24 68.009 3.259 -0.897 1.00 0.00 C ATOM 344 CG PHE A 24 68.626 2.733 -2.171 1.00 0.00 C ATOM 345 CD1 PHE A 24 67.965 1.750 -2.922 1.00 0.00 C ATOM 346 CD2 PHE A 24 69.863 3.224 -2.598 1.00 0.00 C ATOM 347 CE1 PHE A 24 68.551 1.255 -4.092 1.00 0.00 C ATOM 348 CE2 PHE A 24 70.446 2.730 -3.769 1.00 0.00 C ATOM 349 CZ PHE A 24 69.790 1.747 -4.517 1.00 0.00 C ATOM 0 H PHE A 24 68.625 5.991 -0.714 1.00 0.00 H new ATOM 0 HA PHE A 24 66.540 4.343 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.792 3.483 -0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.371 2.495 -0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 24 67.005 1.376 -2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 24 70.369 3.986 -2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 24 68.047 0.493 -4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 24 71.403 3.108 -4.096 1.00 0.00 H new ATOM 0 HZ PHE A 24 70.240 1.368 -5.423 1.00 0.00 H new ATOM 359 N GLN A 25 65.094 4.381 0.036 1.00 0.00 N ATOM 360 CA GLN A 25 64.161 4.606 1.146 1.00 0.00 C ATOM 361 C GLN A 25 63.362 3.337 1.411 1.00 0.00 C ATOM 362 O GLN A 25 62.649 2.857 0.530 1.00 0.00 O ATOM 363 CB GLN A 25 63.189 5.737 0.790 1.00 0.00 C ATOM 364 CG GLN A 25 63.950 7.061 0.694 1.00 0.00 C ATOM 365 CD GLN A 25 63.031 8.166 0.175 1.00 0.00 C ATOM 366 OE1 GLN A 25 61.845 7.933 -0.066 1.00 0.00 O ATOM 367 NE2 GLN A 25 63.517 9.364 -0.012 1.00 0.00 N ATOM 0 H GLN A 25 64.701 3.839 -0.734 1.00 0.00 H new ATOM 0 HA GLN A 25 64.731 4.878 2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 25 62.696 5.521 -0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 25 62.408 5.810 1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 25 64.341 7.335 1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 25 64.806 6.949 0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 25 64.499 9.553 0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 25 62.914 10.110 -0.359 1.00 0.00 H new ATOM 376 N CYS A 26 63.476 2.789 2.620 1.00 0.00 N ATOM 377 CA CYS A 26 62.742 1.564 2.953 1.00 0.00 C ATOM 378 C CYS A 26 62.443 1.482 4.449 1.00 0.00 C ATOM 379 O CYS A 26 63.061 2.177 5.255 1.00 0.00 O ATOM 380 CB CYS A 26 63.554 0.336 2.520 1.00 0.00 C ATOM 381 SG CYS A 26 64.856 -0.007 3.736 1.00 0.00 S ATOM 0 H CYS A 26 64.056 3.162 3.372 1.00 0.00 H new ATOM 0 HA CYS A 26 61.793 1.585 2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 26 62.898 -0.529 2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 26 63.997 0.510 1.540 1.00 0.00 H new ATOM 0 HG CYS A 26 65.536 -1.049 3.361 1.00 0.00 H new ATOM 387 N ARG A 27 61.508 0.599 4.812 1.00 0.00 N ATOM 388 CA ARG A 27 61.144 0.393 6.216 1.00 0.00 C ATOM 389 C ARG A 27 61.801 -0.880 6.724 1.00 0.00 C ATOM 390 O ARG A 27 61.817 -1.893 6.024 1.00 0.00 O ATOM 391 CB ARG A 27 59.622 0.264 6.366 1.00 0.00 C ATOM 392 CG ARG A 27 58.953 1.600 6.064 1.00 0.00 C ATOM 393 CD ARG A 27 57.431 1.452 6.144 1.00 0.00 C ATOM 394 NE ARG A 27 56.940 0.632 5.044 1.00 0.00 N ATOM 395 CZ ARG A 27 55.647 0.345 4.924 1.00 0.00 C ATOM 396 NH1 ARG A 27 55.027 0.589 3.804 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 54.999 -0.167 5.933 1.00 0.00 N ATOM 0 H ARG A 27 60.990 0.016 4.154 1.00 0.00 H new ATOM 0 HA ARG A 27 61.486 1.251 6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 27 59.245 -0.502 5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 27 59.374 -0.056 7.378 1.00 0.00 H new ATOM 0 HG2 ARG A 27 59.291 2.355 6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.242 1.945 5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 27 57.153 0.999 7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 27 56.962 2.435 6.110 1.00 0.00 H new ATOM 0 HE ARG A 27 57.599 0.272 4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 27 55.533 1.000 3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 27 54.035 0.369 3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 27 55.484 -0.347 6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 27 54.007 -0.388 5.843 1.00 0.00 H new ATOM 411 N LEU A 28 62.350 -0.837 7.937 1.00 0.00 N ATOM 412 CA LEU A 28 63.009 -2.016 8.504 1.00 0.00 C ATOM 413 C LEU A 28 62.701 -2.151 9.995 1.00 0.00 C ATOM 414 O LEU A 28 63.381 -1.552 10.823 1.00 0.00 O ATOM 415 CB LEU A 28 64.531 -1.891 8.285 1.00 0.00 C ATOM 416 CG LEU A 28 65.216 -3.272 8.267 1.00 0.00 C ATOM 417 CD1 LEU A 28 64.892 -4.042 9.554 1.00 0.00 C ATOM 418 CD2 LEU A 28 64.761 -4.087 7.038 1.00 0.00 C ATOM 0 H LEU A 28 62.353 -0.014 8.539 1.00 0.00 H new ATOM 0 HA LEU A 28 62.634 -2.909 8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.723 -1.377 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.964 -1.279 9.076 1.00 0.00 H new ATOM 0 HG LEU A 28 66.294 -3.120 8.206 1.00 0.00 H new ATOM 0 HD11 LEU A 28 65.382 -5.015 9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 28 65.250 -3.478 10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 28 63.814 -4.180 9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 28 65.255 -5.059 7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 28 63.681 -4.229 7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 28 65.025 -3.550 6.127 1.00 0.00 H new ATOM 430 N SER A 29 61.693 -2.956 10.347 1.00 0.00 N ATOM 431 CA SER A 29 61.367 -3.141 11.755 1.00 0.00 C ATOM 432 C SER A 29 62.582 -3.700 12.469 1.00 0.00 C ATOM 433 O SER A 29 63.421 -4.362 11.855 1.00 0.00 O ATOM 434 CB SER A 29 60.173 -4.076 11.955 1.00 0.00 C ATOM 435 OG SER A 29 59.013 -3.484 11.383 1.00 0.00 O ATOM 0 H SER A 29 61.106 -3.475 9.693 1.00 0.00 H new ATOM 0 HA SER A 29 61.089 -2.172 12.169 1.00 0.00 H new ATOM 0 HB2 SER A 29 60.370 -5.042 11.489 1.00 0.00 H new ATOM 0 HB3 SER A 29 60.015 -4.261 13.017 1.00 0.00 H new ATOM 0 HG SER A 29 58.281 -4.136 11.378 1.00 0.00 H new ATOM 441 N ARG A 30 62.674 -3.402 13.757 1.00 0.00 N ATOM 442 CA ARG A 30 63.812 -3.811 14.571 1.00 0.00 C ATOM 443 C ARG A 30 64.080 -5.311 14.520 1.00 0.00 C ATOM 444 O ARG A 30 63.194 -6.114 14.221 1.00 0.00 O ATOM 445 CB ARG A 30 63.553 -3.385 16.016 1.00 0.00 C ATOM 446 CG ARG A 30 62.354 -4.161 16.585 1.00 0.00 C ATOM 447 CD ARG A 30 62.079 -3.712 18.023 1.00 0.00 C ATOM 448 NE ARG A 30 63.181 -4.117 18.892 1.00 0.00 N ATOM 449 CZ ARG A 30 63.565 -3.367 19.922 1.00 0.00 C ATOM 450 NH1 ARG A 30 62.826 -3.307 20.998 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 64.674 -2.687 19.849 1.00 0.00 N ATOM 0 H ARG A 30 61.966 -2.873 14.266 1.00 0.00 H new ATOM 0 HA ARG A 30 64.699 -3.324 14.166 1.00 0.00 H new ATOM 0 HB2 ARG A 30 64.439 -3.571 16.623 1.00 0.00 H new ATOM 0 HB3 ARG A 30 63.357 -2.314 16.059 1.00 0.00 H new ATOM 0 HG2 ARG A 30 61.473 -3.991 15.967 1.00 0.00 H new ATOM 0 HG3 ARG A 30 62.558 -5.231 16.562 1.00 0.00 H new ATOM 0 HD2 ARG A 30 61.957 -2.629 18.058 1.00 0.00 H new ATOM 0 HD3 ARG A 30 61.146 -4.150 18.377 1.00 0.00 H new ATOM 0 HE ARG A 30 63.667 -4.994 18.705 1.00 0.00 H new ATOM 0 HH11 ARG A 30 61.955 -3.835 21.048 1.00 0.00 H new ATOM 0 HH12 ARG A 30 63.120 -2.732 21.787 1.00 0.00 H new ATOM 0 HH21 ARG A 30 65.244 -2.731 19.005 1.00 0.00 H new ATOM 0 HH22 ARG A 30 64.972 -2.111 20.636 1.00 0.00 H new ATOM 465 N ALA A 31 65.339 -5.662 14.806 1.00 0.00 N ATOM 466 CA ALA A 31 65.785 -7.051 14.791 1.00 0.00 C ATOM 467 C ALA A 31 65.257 -7.836 15.985 1.00 0.00 C ATOM 468 O ALA A 31 64.528 -7.308 16.826 1.00 0.00 O ATOM 469 CB ALA A 31 67.311 -7.106 14.804 1.00 0.00 C ATOM 0 H ALA A 31 66.069 -4.993 15.052 1.00 0.00 H new ATOM 0 HA ALA A 31 65.392 -7.505 13.881 1.00 0.00 H new ATOM 0 HB1 ALA A 31 67.638 -8.146 14.793 1.00 0.00 H new ATOM 0 HB2 ALA A 31 67.701 -6.594 13.925 1.00 0.00 H new ATOM 0 HB3 ALA A 31 67.685 -6.618 15.704 1.00 0.00 H new ATOM 475 N SER A 32 65.650 -9.109 16.047 1.00 0.00 N ATOM 476 CA SER A 32 65.241 -9.990 17.129 1.00 0.00 C ATOM 477 C SER A 32 66.243 -11.131 17.270 1.00 0.00 C ATOM 478 O SER A 32 66.768 -11.389 18.354 1.00 0.00 O ATOM 479 CB SER A 32 63.857 -10.565 16.841 1.00 0.00 C ATOM 480 OG SER A 32 63.919 -11.345 15.654 1.00 0.00 O ATOM 0 H SER A 32 66.255 -9.550 15.354 1.00 0.00 H new ATOM 0 HA SER A 32 65.206 -9.418 18.056 1.00 0.00 H new ATOM 0 HB2 SER A 32 63.522 -11.178 17.678 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.131 -9.760 16.725 1.00 0.00 H new ATOM 0 HG SER A 32 63.034 -11.720 15.462 1.00 0.00 H new ATOM 486 N GLY A 33 66.510 -11.800 16.151 1.00 0.00 N ATOM 487 CA GLY A 33 67.463 -12.908 16.119 1.00 0.00 C ATOM 488 C GLY A 33 68.820 -12.410 15.635 1.00 0.00 C ATOM 489 O GLY A 33 69.796 -12.398 16.386 1.00 0.00 O ATOM 0 H GLY A 33 66.078 -11.593 15.250 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.559 -13.345 17.113 1.00 0.00 H new ATOM 0 HA3 GLY A 33 67.098 -13.695 15.459 1.00 0.00 H new ATOM 493 N GLN A 34 68.866 -11.976 14.376 1.00 0.00 N ATOM 494 CA GLN A 34 70.098 -11.445 13.790 1.00 0.00 C ATOM 495 C GLN A 34 69.845 -10.035 13.256 1.00 0.00 C ATOM 496 O GLN A 34 68.720 -9.693 12.888 1.00 0.00 O ATOM 497 CB GLN A 34 70.601 -12.363 12.670 1.00 0.00 C ATOM 498 CG GLN A 34 70.999 -13.717 13.270 1.00 0.00 C ATOM 499 CD GLN A 34 71.420 -14.683 12.167 1.00 0.00 C ATOM 500 OE1 GLN A 34 71.444 -14.314 10.995 1.00 0.00 O ATOM 501 NE2 GLN A 34 71.756 -15.908 12.475 1.00 0.00 N ATOM 0 H GLN A 34 68.067 -11.981 13.743 1.00 0.00 H new ATOM 0 HA GLN A 34 70.868 -11.401 14.560 1.00 0.00 H new ATOM 0 HB2 GLN A 34 69.824 -12.499 11.918 1.00 0.00 H new ATOM 0 HB3 GLN A 34 71.455 -11.909 12.167 1.00 0.00 H new ATOM 0 HG2 GLN A 34 71.818 -13.582 13.977 1.00 0.00 H new ATOM 0 HG3 GLN A 34 70.161 -14.135 13.828 1.00 0.00 H new ATOM 0 HE21 GLN A 34 71.736 -16.213 13.448 1.00 0.00 H new ATOM 0 HE22 GLN A 34 72.039 -16.559 11.742 1.00 0.00 H new ATOM 510 N GLU A 35 70.896 -9.222 13.230 1.00 0.00 N ATOM 511 CA GLU A 35 70.785 -7.845 12.752 1.00 0.00 C ATOM 512 C GLU A 35 70.954 -7.778 11.236 1.00 0.00 C ATOM 513 O GLU A 35 71.843 -8.412 10.670 1.00 0.00 O ATOM 514 CB GLU A 35 71.851 -6.987 13.433 1.00 0.00 C ATOM 515 CG GLU A 35 73.239 -7.479 13.028 1.00 0.00 C ATOM 516 CD GLU A 35 74.303 -6.764 13.850 1.00 0.00 C ATOM 517 OE1 GLU A 35 75.255 -7.418 14.245 1.00 0.00 O ATOM 518 OE2 GLU A 35 74.156 -5.573 14.067 1.00 0.00 O1- ATOM 0 H GLU A 35 71.832 -9.490 13.533 1.00 0.00 H new ATOM 0 HA GLU A 35 69.793 -7.467 12.999 1.00 0.00 H new ATOM 0 HB2 GLU A 35 71.727 -5.942 13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 35 71.737 -7.039 14.516 1.00 0.00 H new ATOM 0 HG2 GLU A 35 73.312 -8.556 13.181 1.00 0.00 H new ATOM 0 HG3 GLU A 35 73.404 -7.296 11.966 1.00 0.00 H new ATOM 525 N ALA A 36 70.093 -7.001 10.587 1.00 0.00 N ATOM 526 CA ALA A 36 70.148 -6.846 9.137 1.00 0.00 C ATOM 527 C ALA A 36 71.280 -5.904 8.743 1.00 0.00 C ATOM 528 O ALA A 36 71.666 -5.027 9.516 1.00 0.00 O ATOM 529 CB ALA A 36 68.824 -6.273 8.634 1.00 0.00 C ATOM 0 H ALA A 36 69.350 -6.470 11.041 1.00 0.00 H new ATOM 0 HA ALA A 36 70.326 -7.824 8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 36 68.866 -6.157 7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 36 68.011 -6.951 8.896 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.649 -5.301 9.096 1.00 0.00 H new ATOM 535 N ARG A 37 71.817 -6.082 7.534 1.00 0.00 N ATOM 536 CA ARG A 37 72.907 -5.222 7.066 1.00 0.00 C ATOM 537 C ARG A 37 72.844 -5.000 5.556 1.00 0.00 C ATOM 538 O ARG A 37 72.428 -5.879 4.799 1.00 0.00 O ATOM 539 CB ARG A 37 74.253 -5.842 7.453 1.00 0.00 C ATOM 540 CG ARG A 37 74.407 -7.221 6.807 1.00 0.00 C ATOM 541 CD ARG A 37 75.674 -7.888 7.350 1.00 0.00 C ATOM 542 NE ARG A 37 76.862 -7.169 6.904 1.00 0.00 N ATOM 543 CZ ARG A 37 78.085 -7.573 7.252 1.00 0.00 C ATOM 544 NH1 ARG A 37 78.635 -7.128 8.347 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 78.731 -8.408 6.494 1.00 0.00 N ATOM 0 H ARG A 37 71.522 -6.800 6.872 1.00 0.00 H new ATOM 0 HA ARG A 37 72.799 -4.249 7.545 1.00 0.00 H new ATOM 0 HB2 ARG A 37 75.067 -5.190 7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 37 74.322 -5.931 8.537 1.00 0.00 H new ATOM 0 HG2 ARG A 37 73.535 -7.838 7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 37 74.468 -7.124 5.723 1.00 0.00 H new ATOM 0 HD2 ARG A 37 75.642 -7.909 8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 37 75.720 -8.923 7.012 1.00 0.00 H new ATOM 0 HE ARG A 37 76.756 -6.343 6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 37 78.130 -6.469 8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 37 79.570 -7.439 8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 37 78.303 -8.753 5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 37 79.666 -8.718 6.758 1.00 0.00 H new ATOM 559 N TRP A 38 73.268 -3.806 5.131 1.00 0.00 N ATOM 560 CA TRP A 38 73.280 -3.456 3.713 1.00 0.00 C ATOM 561 C TRP A 38 74.524 -4.034 3.055 1.00 0.00 C ATOM 562 O TRP A 38 75.346 -4.666 3.717 1.00 0.00 O ATOM 563 CB TRP A 38 73.312 -1.937 3.541 1.00 0.00 C ATOM 564 CG TRP A 38 72.030 -1.323 3.988 1.00 0.00 C ATOM 565 CD1 TRP A 38 71.859 -0.683 5.164 1.00 0.00 C ATOM 566 CD2 TRP A 38 70.749 -1.257 3.292 1.00 0.00 C ATOM 567 NE1 TRP A 38 70.562 -0.222 5.236 1.00 0.00 N ATOM 568 CE2 TRP A 38 69.832 -0.557 4.112 1.00 0.00 C ATOM 569 CE3 TRP A 38 70.295 -1.732 2.049 1.00 0.00 C ATOM 570 CZ2 TRP A 38 68.516 -0.329 3.711 1.00 0.00 C ATOM 571 CZ3 TRP A 38 68.967 -1.508 1.641 1.00 0.00 C ATOM 572 CH2 TRP A 38 68.080 -0.809 2.472 1.00 0.00 C ATOM 0 H TRP A 38 73.606 -3.069 5.750 1.00 0.00 H new ATOM 0 HA TRP A 38 72.380 -3.861 3.251 1.00 0.00 H new ATOM 0 HB2 TRP A 38 74.139 -1.520 4.115 1.00 0.00 H new ATOM 0 HB3 TRP A 38 73.493 -1.689 2.495 1.00 0.00 H new ATOM 0 HD1 TRP A 38 72.615 -0.553 5.924 1.00 0.00 H new ATOM 0 HE1 TRP A 38 70.186 0.304 6.025 1.00 0.00 H new ATOM 0 HE3 TRP A 38 70.970 -2.273 1.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 67.838 0.214 4.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.629 -1.876 0.683 1.00 0.00 H new ATOM 0 HH2 TRP A 38 67.061 -0.641 2.156 1.00 0.00 H new ATOM 583 N ALA A 39 74.672 -3.804 1.755 1.00 0.00 N ATOM 584 CA ALA A 39 75.847 -4.305 1.047 1.00 0.00 C ATOM 585 C ALA A 39 75.991 -3.643 -0.322 1.00 0.00 C ATOM 586 O ALA A 39 75.036 -3.575 -1.089 1.00 0.00 O ATOM 587 CB ALA A 39 75.755 -5.832 0.887 1.00 0.00 C ATOM 0 H ALA A 39 74.009 -3.285 1.179 1.00 0.00 H new ATOM 0 HA ALA A 39 76.729 -4.057 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 39 76.636 -6.196 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 39 75.704 -6.299 1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 39 74.860 -6.085 0.319 1.00 0.00 H new ATOM 593 N LEU A 40 77.200 -3.164 -0.624 1.00 0.00 N ATOM 594 CA LEU A 40 77.476 -2.519 -1.915 1.00 0.00 C ATOM 595 C LEU A 40 78.780 -3.056 -2.499 1.00 0.00 C ATOM 596 O LEU A 40 79.829 -2.982 -1.861 1.00 0.00 O ATOM 597 CB LEU A 40 77.582 -0.994 -1.733 1.00 0.00 C ATOM 598 CG LEU A 40 77.971 -0.310 -3.061 1.00 0.00 C ATOM 599 CD1 LEU A 40 76.942 -0.642 -4.150 1.00 0.00 C ATOM 600 CD2 LEU A 40 78.013 1.208 -2.865 1.00 0.00 C ATOM 0 H LEU A 40 78.003 -3.209 0.004 1.00 0.00 H new ATOM 0 HA LEU A 40 76.657 -2.742 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 40 76.630 -0.598 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 40 78.325 -0.765 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 40 78.952 -0.674 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 40 77.228 -0.154 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 40 76.908 -1.721 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 40 75.958 -0.288 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 40 78.288 1.689 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 40 77.031 1.562 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 40 78.750 1.456 -2.101 1.00 0.00 H new ATOM 612 N GLY A 41 78.714 -3.595 -3.715 1.00 0.00 N ATOM 613 CA GLY A 41 79.909 -4.132 -4.362 1.00 0.00 C ATOM 614 C GLY A 41 80.308 -5.461 -3.733 1.00 0.00 C ATOM 615 O GLY A 41 81.378 -6.000 -4.019 1.00 0.00 O ATOM 0 H GLY A 41 77.859 -3.671 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 41 79.722 -4.269 -5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.729 -3.420 -4.272 1.00 0.00 H new ATOM 619 N GLY A 42 79.436 -5.979 -2.871 1.00 0.00 N ATOM 620 CA GLY A 42 79.681 -7.249 -2.187 1.00 0.00 C ATOM 621 C GLY A 42 80.228 -7.011 -0.786 1.00 0.00 C ATOM 622 O GLY A 42 80.202 -7.902 0.061 1.00 0.00 O ATOM 0 H GLY A 42 78.549 -5.537 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.755 -7.820 -2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 42 80.388 -7.847 -2.762 1.00 0.00 H new ATOM 626 N VAL A 43 80.721 -5.797 -0.549 1.00 0.00 N ATOM 627 CA VAL A 43 81.276 -5.434 0.759 1.00 0.00 C ATOM 628 C VAL A 43 80.378 -4.392 1.440 1.00 0.00 C ATOM 629 O VAL A 43 79.766 -3.570 0.760 1.00 0.00 O ATOM 630 CB VAL A 43 82.687 -4.869 0.571 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.561 -5.918 -0.119 1.00 0.00 C ATOM 632 CG2 VAL A 43 82.622 -3.608 -0.297 1.00 0.00 C ATOM 0 H VAL A 43 80.749 -5.048 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 43 81.323 -6.320 1.392 1.00 0.00 H new ATOM 0 HB VAL A 43 83.113 -4.618 1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.567 -5.521 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.606 -6.816 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.134 -6.165 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 43 83.626 -3.206 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 43 82.199 -3.857 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 43 81.995 -2.862 0.191 1.00 0.00 H new ATOM 642 N PRO A 44 80.280 -4.402 2.750 1.00 0.00 N ATOM 643 CA PRO A 44 79.424 -3.417 3.470 1.00 0.00 C ATOM 644 C PRO A 44 79.758 -1.984 3.045 1.00 0.00 C ATOM 645 O PRO A 44 80.924 -1.646 2.840 1.00 0.00 O ATOM 646 CB PRO A 44 79.729 -3.639 4.976 1.00 0.00 C ATOM 647 CG PRO A 44 80.728 -4.773 5.073 1.00 0.00 C ATOM 648 CD PRO A 44 80.951 -5.343 3.661 1.00 0.00 C ATOM 0 HA PRO A 44 78.367 -3.558 3.246 1.00 0.00 H new ATOM 0 HB2 PRO A 44 80.134 -2.731 5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 44 78.817 -3.883 5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 44 81.669 -4.415 5.491 1.00 0.00 H new ATOM 0 HG3 PRO A 44 80.357 -5.550 5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.014 -5.421 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 44 80.531 -6.345 3.571 1.00 0.00 H new ATOM 656 N LEU A 45 78.729 -1.155 2.906 1.00 0.00 N ATOM 657 CA LEU A 45 78.927 0.233 2.495 1.00 0.00 C ATOM 658 C LEU A 45 79.408 1.086 3.670 1.00 0.00 C ATOM 659 O LEU A 45 79.397 0.644 4.818 1.00 0.00 O ATOM 660 CB LEU A 45 77.629 0.802 1.881 1.00 0.00 C ATOM 661 CG LEU A 45 76.644 1.276 2.967 1.00 0.00 C ATOM 662 CD1 LEU A 45 75.336 1.717 2.308 1.00 0.00 C ATOM 663 CD2 LEU A 45 76.341 0.126 3.931 1.00 0.00 C ATOM 0 H LEU A 45 77.757 -1.416 3.070 1.00 0.00 H new ATOM 0 HA LEU A 45 79.703 0.261 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.873 1.636 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.153 0.039 1.266 1.00 0.00 H new ATOM 0 HG LEU A 45 77.090 2.107 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 45 74.638 2.053 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 45 75.535 2.535 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 45 74.902 0.878 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 45 75.644 0.467 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 45 75.897 -0.703 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.265 -0.206 4.404 1.00 0.00 H new ATOM 675 N GLN A 46 79.845 2.308 3.371 1.00 0.00 N ATOM 676 CA GLN A 46 80.346 3.223 4.404 1.00 0.00 C ATOM 677 C GLN A 46 79.706 4.601 4.261 1.00 0.00 C ATOM 678 O GLN A 46 79.484 5.080 3.150 1.00 0.00 O ATOM 679 CB GLN A 46 81.866 3.358 4.277 1.00 0.00 C ATOM 680 CG GLN A 46 82.529 2.044 4.702 1.00 0.00 C ATOM 681 CD GLN A 46 84.030 2.096 4.427 1.00 0.00 C ATOM 682 OE1 GLN A 46 84.446 2.163 3.272 1.00 0.00 O ATOM 683 NE2 GLN A 46 84.869 2.070 5.427 1.00 0.00 N ATOM 0 H GLN A 46 79.864 2.690 2.425 1.00 0.00 H new ATOM 0 HA GLN A 46 80.088 2.815 5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.136 3.599 3.249 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.223 4.177 4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 46 82.352 1.866 5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 46 82.082 1.211 4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 46 84.520 2.014 6.384 1.00 0.00 H new ATOM 0 HE22 GLN A 46 85.873 2.105 5.251 1.00 0.00 H new ATOM 692 N ALA A 47 79.410 5.229 5.396 1.00 0.00 N ATOM 693 CA ALA A 47 78.797 6.550 5.388 1.00 0.00 C ATOM 694 C ALA A 47 79.817 7.618 5.007 1.00 0.00 C ATOM 695 O ALA A 47 80.109 8.518 5.797 1.00 0.00 O ATOM 696 CB ALA A 47 78.227 6.870 6.771 1.00 0.00 C ATOM 0 H ALA A 47 79.584 4.846 6.325 1.00 0.00 H new ATOM 0 HA ALA A 47 77.995 6.547 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 47 77.770 7.860 6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.474 6.127 7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 47 79.029 6.852 7.508 1.00 0.00 H new ATOM 702 N ASN A 48 80.340 7.525 3.791 1.00 0.00 N ATOM 703 CA ASN A 48 81.308 8.505 3.308 1.00 0.00 C ATOM 704 C ASN A 48 80.578 9.804 2.968 1.00 0.00 C ATOM 705 O ASN A 48 79.366 9.798 2.763 1.00 0.00 O ATOM 706 CB ASN A 48 82.018 7.969 2.059 1.00 0.00 C ATOM 707 CG ASN A 48 82.946 6.811 2.421 1.00 0.00 C ATOM 708 OD1 ASN A 48 83.399 6.706 3.560 1.00 0.00 O ATOM 709 ND2 ASN A 48 83.251 5.924 1.510 1.00 0.00 N ATOM 0 H ASN A 48 80.113 6.787 3.124 1.00 0.00 H new ATOM 0 HA ASN A 48 82.052 8.693 4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 48 81.280 7.636 1.330 1.00 0.00 H new ATOM 0 HB3 ASN A 48 82.592 8.768 1.589 1.00 0.00 H new ATOM 0 HD21 ASN A 48 83.865 5.144 1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 48 82.875 6.012 0.566 1.00 0.00 H new ATOM 716 N GLU A 49 81.304 10.920 2.916 1.00 0.00 N ATOM 717 CA GLU A 49 80.676 12.206 2.608 1.00 0.00 C ATOM 718 C GLU A 49 79.632 12.065 1.495 1.00 0.00 C ATOM 719 O GLU A 49 78.596 12.728 1.518 1.00 0.00 O ATOM 720 CB GLU A 49 81.740 13.229 2.193 1.00 0.00 C ATOM 721 CG GLU A 49 82.451 12.764 0.920 1.00 0.00 C ATOM 722 CD GLU A 49 83.540 13.766 0.551 1.00 0.00 C ATOM 723 OE1 GLU A 49 83.194 14.864 0.146 1.00 0.00 O ATOM 724 OE2 GLU A 49 84.702 13.423 0.687 1.00 0.00 O1- ATOM 0 H GLU A 49 82.310 10.962 3.080 1.00 0.00 H new ATOM 0 HA GLU A 49 80.170 12.553 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 49 81.275 14.200 2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 49 82.465 13.358 2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 49 82.887 11.777 1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 49 81.735 12.672 0.104 1.00 0.00 H new ATOM 731 N MET A 50 79.910 11.202 0.522 1.00 0.00 N ATOM 732 CA MET A 50 78.981 10.991 -0.590 1.00 0.00 C ATOM 733 C MET A 50 77.665 10.386 -0.101 1.00 0.00 C ATOM 734 O MET A 50 76.585 10.804 -0.520 1.00 0.00 O ATOM 735 CB MET A 50 79.618 10.053 -1.623 1.00 0.00 C ATOM 736 CG MET A 50 80.689 10.813 -2.406 1.00 0.00 C ATOM 737 SD MET A 50 81.567 9.679 -3.517 1.00 0.00 S ATOM 738 CE MET A 50 80.221 9.362 -4.690 1.00 0.00 C ATOM 0 H MET A 50 80.761 10.642 0.478 1.00 0.00 H new ATOM 0 HA MET A 50 78.769 11.959 -1.045 1.00 0.00 H new ATOM 0 HB2 MET A 50 80.060 9.191 -1.124 1.00 0.00 H new ATOM 0 HB3 MET A 50 78.856 9.672 -2.303 1.00 0.00 H new ATOM 0 HG2 MET A 50 80.229 11.616 -2.982 1.00 0.00 H new ATOM 0 HG3 MET A 50 81.394 11.278 -1.717 1.00 0.00 H new ATOM 0 HE1 MET A 50 80.636 9.003 -5.632 1.00 0.00 H new ATOM 0 HE2 MET A 50 79.550 8.608 -4.278 1.00 0.00 H new ATOM 0 HE3 MET A 50 79.667 10.284 -4.866 1.00 0.00 H new ATOM 748 N ASN A 51 77.763 9.398 0.787 1.00 0.00 N ATOM 749 CA ASN A 51 76.576 8.733 1.326 1.00 0.00 C ATOM 750 C ASN A 51 76.244 9.275 2.707 1.00 0.00 C ATOM 751 O ASN A 51 77.131 9.692 3.446 1.00 0.00 O ATOM 752 CB ASN A 51 76.816 7.228 1.420 1.00 0.00 C ATOM 753 CG ASN A 51 76.886 6.626 0.023 1.00 0.00 C ATOM 754 OD1 ASN A 51 75.898 6.635 -0.711 1.00 0.00 O ATOM 755 ND2 ASN A 51 78.002 6.101 -0.392 1.00 0.00 N ATOM 0 H ASN A 51 78.648 9.041 1.148 1.00 0.00 H new ATOM 0 HA ASN A 51 75.740 8.928 0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 51 77.744 7.032 1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 51 76.013 6.758 1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 51 78.059 5.696 -1.327 1.00 0.00 H new ATOM 0 HD22 ASN A 51 78.820 6.094 0.217 1.00 0.00 H new ATOM 762 N ASP A 52 74.958 9.266 3.053 1.00 0.00 N ATOM 763 CA ASP A 52 74.519 9.768 4.358 1.00 0.00 C ATOM 764 C ASP A 52 73.421 8.881 4.933 1.00 0.00 C ATOM 765 O ASP A 52 72.252 9.018 4.583 1.00 0.00 O ATOM 766 CB ASP A 52 74.004 11.206 4.218 1.00 0.00 C ATOM 767 CG ASP A 52 75.175 12.178 4.073 1.00 0.00 C ATOM 768 OD1 ASP A 52 74.917 13.346 3.840 1.00 0.00 O ATOM 769 OD2 ASP A 52 76.309 11.744 4.196 1.00 0.00 O1- ATOM 0 H ASP A 52 74.207 8.921 2.456 1.00 0.00 H new ATOM 0 HA ASP A 52 75.371 9.753 5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.350 11.282 3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.408 11.472 5.091 1.00 0.00 H new ATOM 774 N ILE A 53 73.812 7.978 5.828 1.00 0.00 N ATOM 775 CA ILE A 53 72.864 7.064 6.457 1.00 0.00 C ATOM 776 C ILE A 53 72.224 7.714 7.673 1.00 0.00 C ATOM 777 O ILE A 53 72.913 8.220 8.557 1.00 0.00 O ATOM 778 CB ILE A 53 73.594 5.788 6.886 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.110 5.065 5.642 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.649 4.860 7.659 1.00 0.00 C ATOM 781 CD1 ILE A 53 75.046 3.938 6.066 1.00 0.00 C ATOM 0 H ILE A 53 74.778 7.860 6.134 1.00 0.00 H new ATOM 0 HA ILE A 53 72.082 6.819 5.738 1.00 0.00 H new ATOM 0 HB ILE A 53 74.426 6.058 7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 53 73.275 4.663 5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 53 74.636 5.765 4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 53 73.186 3.959 7.955 1.00 0.00 H new ATOM 0 HG22 ILE A 53 72.282 5.373 8.548 1.00 0.00 H new ATOM 0 HG23 ILE A 53 71.806 4.588 7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.416 3.420 5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 53 75.887 4.353 6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.505 3.234 6.699 1.00 0.00 H new ATOM 793 N THR A 54 70.895 7.691 7.713 1.00 0.00 N ATOM 794 CA THR A 54 70.161 8.275 8.832 1.00 0.00 C ATOM 795 C THR A 54 68.982 7.390 9.198 1.00 0.00 C ATOM 796 O THR A 54 68.451 6.667 8.357 1.00 0.00 O ATOM 797 CB THR A 54 69.658 9.674 8.458 1.00 0.00 C ATOM 798 OG1 THR A 54 68.881 10.190 9.527 1.00 0.00 O ATOM 799 CG2 THR A 54 68.795 9.604 7.193 1.00 0.00 C ATOM 0 H THR A 54 70.307 7.277 6.989 1.00 0.00 H new ATOM 0 HA THR A 54 70.831 8.353 9.688 1.00 0.00 H new ATOM 0 HB THR A 54 70.513 10.324 8.270 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.558 11.085 9.294 1.00 0.00 H new ATOM 0 HG21 THR A 54 68.443 10.603 6.937 1.00 0.00 H new ATOM 0 HG22 THR A 54 69.388 9.206 6.370 1.00 0.00 H new ATOM 0 HG23 THR A 54 67.939 8.953 7.372 1.00 0.00 H new ATOM 807 N VAL A 55 68.584 7.443 10.464 1.00 0.00 N ATOM 808 CA VAL A 55 67.468 6.638 10.955 1.00 0.00 C ATOM 809 C VAL A 55 66.371 7.542 11.495 1.00 0.00 C ATOM 810 O VAL A 55 66.629 8.452 12.284 1.00 0.00 O ATOM 811 CB VAL A 55 67.974 5.690 12.043 1.00 0.00 C ATOM 812 CG1 VAL A 55 66.795 4.990 12.735 1.00 0.00 C ATOM 813 CG2 VAL A 55 68.892 4.656 11.386 1.00 0.00 C ATOM 0 H VAL A 55 69.018 8.036 11.172 1.00 0.00 H new ATOM 0 HA VAL A 55 67.050 6.050 10.138 1.00 0.00 H new ATOM 0 HB VAL A 55 68.521 6.251 12.800 1.00 0.00 H new ATOM 0 HG11 VAL A 55 67.172 4.319 13.507 1.00 0.00 H new ATOM 0 HG12 VAL A 55 66.145 5.737 13.190 1.00 0.00 H new ATOM 0 HG13 VAL A 55 66.230 4.417 12.000 1.00 0.00 H new ATOM 0 HG21 VAL A 55 69.266 3.968 12.144 1.00 0.00 H new ATOM 0 HG22 VAL A 55 68.333 4.099 10.634 1.00 0.00 H new ATOM 0 HG23 VAL A 55 69.732 5.164 10.912 1.00 0.00 H new ATOM 823 N GLU A 56 65.142 7.294 11.046 1.00 0.00 N ATOM 824 CA GLU A 56 63.994 8.093 11.465 1.00 0.00 C ATOM 825 C GLU A 56 62.895 7.195 12.016 1.00 0.00 C ATOM 826 O GLU A 56 63.073 5.983 12.142 1.00 0.00 O ATOM 827 CB GLU A 56 63.451 8.872 10.265 1.00 0.00 C ATOM 828 CG GLU A 56 64.508 9.861 9.767 1.00 0.00 C ATOM 829 CD GLU A 56 64.007 10.561 8.507 1.00 0.00 C ATOM 830 OE1 GLU A 56 62.867 10.329 8.139 1.00 0.00 O ATOM 831 OE2 GLU A 56 64.771 11.315 7.926 1.00 0.00 O1- ATOM 0 H GLU A 56 64.916 6.545 10.391 1.00 0.00 H new ATOM 0 HA GLU A 56 64.314 8.784 12.245 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.179 8.183 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.544 9.407 10.547 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.724 10.597 10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.440 9.336 9.557 1.00 0.00 H new ATOM 838 N GLN A 57 61.759 7.799 12.333 1.00 0.00 N ATOM 839 CA GLN A 57 60.624 7.055 12.858 1.00 0.00 C ATOM 840 C GLN A 57 60.269 5.910 11.908 1.00 0.00 C ATOM 841 O GLN A 57 60.511 6.000 10.710 1.00 0.00 O ATOM 842 CB GLN A 57 59.424 7.992 12.999 1.00 0.00 C ATOM 843 CG GLN A 57 58.269 7.239 13.661 1.00 0.00 C ATOM 844 CD GLN A 57 57.056 8.143 13.806 1.00 0.00 C ATOM 845 OE1 GLN A 57 56.536 8.654 12.816 1.00 0.00 O ATOM 846 NE2 GLN A 57 56.563 8.358 14.993 1.00 0.00 N ATOM 0 H GLN A 57 61.599 8.802 12.236 1.00 0.00 H new ATOM 0 HA GLN A 57 60.884 6.643 13.833 1.00 0.00 H new ATOM 0 HB2 GLN A 57 59.696 8.862 13.597 1.00 0.00 H new ATOM 0 HB3 GLN A 57 59.119 8.361 12.020 1.00 0.00 H new ATOM 0 HG2 GLN A 57 58.009 6.364 13.065 1.00 0.00 H new ATOM 0 HG3 GLN A 57 58.578 6.876 14.641 1.00 0.00 H new ATOM 0 HE21 GLN A 57 56.998 7.932 15.811 1.00 0.00 H new ATOM 0 HE22 GLN A 57 55.742 8.953 15.104 1.00 0.00 H new ATOM 855 N GLY A 58 59.695 4.835 12.442 1.00 0.00 N ATOM 856 CA GLY A 58 59.322 3.699 11.605 1.00 0.00 C ATOM 857 C GLY A 58 60.568 2.985 11.106 1.00 0.00 C ATOM 858 O GLY A 58 60.557 2.344 10.053 1.00 0.00 O ATOM 0 H GLY A 58 59.481 4.727 13.433 1.00 0.00 H new ATOM 0 HA2 GLY A 58 58.700 3.007 12.174 1.00 0.00 H new ATOM 0 HA3 GLY A 58 58.726 4.041 10.759 1.00 0.00 H new ATOM 862 N THR A 59 61.643 3.105 11.874 1.00 0.00 N ATOM 863 CA THR A 59 62.903 2.476 11.515 1.00 0.00 C ATOM 864 C THR A 59 63.254 2.767 10.068 1.00 0.00 C ATOM 865 O THR A 59 63.922 1.969 9.409 1.00 0.00 O ATOM 866 CB THR A 59 62.802 0.972 11.728 1.00 0.00 C ATOM 867 OG1 THR A 59 62.012 0.396 10.693 1.00 0.00 O ATOM 868 CG2 THR A 59 62.150 0.703 13.084 1.00 0.00 C ATOM 0 H THR A 59 61.666 3.631 12.747 1.00 0.00 H new ATOM 0 HA THR A 59 63.690 2.883 12.150 1.00 0.00 H new ATOM 0 HB THR A 59 63.798 0.529 11.706 1.00 0.00 H new ATOM 0 HG1 THR A 59 61.563 1.107 10.190 1.00 0.00 H new ATOM 0 HG21 THR A 59 62.074 -0.372 13.244 1.00 0.00 H new ATOM 0 HG22 THR A 59 62.757 1.146 13.874 1.00 0.00 H new ATOM 0 HG23 THR A 59 61.153 1.144 13.102 1.00 0.00 H new ATOM 876 N LEU A 60 62.801 3.910 9.576 1.00 0.00 N ATOM 877 CA LEU A 60 63.077 4.282 8.199 1.00 0.00 C ATOM 878 C LEU A 60 64.552 4.604 8.006 1.00 0.00 C ATOM 879 O LEU A 60 65.143 5.375 8.764 1.00 0.00 O ATOM 880 CB LEU A 60 62.228 5.496 7.786 1.00 0.00 C ATOM 881 CG LEU A 60 60.785 5.058 7.478 1.00 0.00 C ATOM 882 CD1 LEU A 60 59.851 6.273 7.561 1.00 0.00 C ATOM 883 CD2 LEU A 60 60.704 4.465 6.056 1.00 0.00 C ATOM 0 H LEU A 60 62.248 4.587 10.102 1.00 0.00 H new ATOM 0 HA LEU A 60 62.818 3.432 7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 60 62.228 6.237 8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.666 5.973 6.909 1.00 0.00 H new ATOM 0 HG LEU A 60 60.484 4.304 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 60 58.829 5.962 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 60 59.895 6.698 8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 60 60.165 7.023 6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 60 59.679 4.158 5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 60 61.012 5.217 5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 60 61.363 3.600 5.984 1.00 0.00 H new ATOM 895 N HIS A 61 65.123 4.019 6.957 1.00 0.00 N ATOM 896 CA HIS A 61 66.523 4.241 6.602 1.00 0.00 C ATOM 897 C HIS A 61 66.578 5.049 5.313 1.00 0.00 C ATOM 898 O HIS A 61 65.675 4.950 4.475 1.00 0.00 O ATOM 899 CB HIS A 61 67.237 2.901 6.405 1.00 0.00 C ATOM 900 CG HIS A 61 67.469 2.253 7.744 1.00 0.00 C ATOM 901 ND1 HIS A 61 66.450 1.644 8.458 1.00 0.00 N ATOM 902 CD2 HIS A 61 68.600 2.112 8.511 1.00 0.00 C ATOM 903 CE1 HIS A 61 66.981 1.171 9.598 1.00 0.00 C ATOM 904 NE2 HIS A 61 68.289 1.429 9.681 1.00 0.00 N ATOM 0 H HIS A 61 64.632 3.381 6.331 1.00 0.00 H new ATOM 0 HA HIS A 61 67.022 4.785 7.404 1.00 0.00 H new ATOM 0 HB2 HIS A 61 66.637 2.247 5.772 1.00 0.00 H new ATOM 0 HB3 HIS A 61 68.188 3.055 5.894 1.00 0.00 H new ATOM 0 HD1 HIS A 61 65.474 1.568 8.171 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.581 2.476 8.245 1.00 0.00 H new ATOM 0 HE1 HIS A 61 66.418 0.646 10.356 1.00 0.00 H new ATOM 912 N LEU A 62 67.623 5.863 5.159 1.00 0.00 N ATOM 913 CA LEU A 62 67.747 6.695 3.965 1.00 0.00 C ATOM 914 C LEU A 62 69.193 7.078 3.711 1.00 0.00 C ATOM 915 O LEU A 62 69.720 7.990 4.352 1.00 0.00 O ATOM 916 CB LEU A 62 66.921 7.975 4.147 1.00 0.00 C ATOM 917 CG LEU A 62 66.754 8.714 2.798 1.00 0.00 C ATOM 918 CD1 LEU A 62 65.583 9.698 2.903 1.00 0.00 C ATOM 919 CD2 LEU A 62 68.041 9.490 2.426 1.00 0.00 C ATOM 0 H LEU A 62 68.382 5.963 5.833 1.00 0.00 H new ATOM 0 HA LEU A 62 67.382 6.122 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.941 7.727 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.410 8.630 4.868 1.00 0.00 H new ATOM 0 HG LEU A 62 66.559 7.975 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 62 65.461 10.221 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 62 64.669 9.152 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 62 65.785 10.421 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 62 67.896 10.000 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 62 68.260 10.224 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 62 68.874 8.793 2.341 1.00 0.00 H new ATOM 931 N LEU A 63 69.830 6.412 2.749 1.00 0.00 N ATOM 932 CA LEU A 63 71.208 6.748 2.402 1.00 0.00 C ATOM 933 C LEU A 63 71.172 7.714 1.217 1.00 0.00 C ATOM 934 O LEU A 63 70.844 7.312 0.097 1.00 0.00 O ATOM 935 CB LEU A 63 72.016 5.481 2.052 1.00 0.00 C ATOM 936 CG LEU A 63 71.101 4.413 1.404 1.00 0.00 C ATOM 937 CD1 LEU A 63 71.896 3.632 0.364 1.00 0.00 C ATOM 938 CD2 LEU A 63 70.581 3.426 2.463 1.00 0.00 C ATOM 0 H LEU A 63 69.423 5.651 2.206 1.00 0.00 H new ATOM 0 HA LEU A 63 71.702 7.216 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 63 72.826 5.737 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.475 5.076 2.953 1.00 0.00 H new ATOM 0 HG LEU A 63 70.255 4.920 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 63 71.255 2.879 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 63 72.260 4.315 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.743 3.143 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 63 69.940 2.684 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 63 71.424 2.925 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 63 70.010 3.968 3.216 1.00 0.00 H new ATOM 950 N THR A 64 71.470 8.989 1.464 1.00 0.00 N ATOM 951 CA THR A 64 71.425 9.986 0.393 1.00 0.00 C ATOM 952 C THR A 64 72.757 10.074 -0.339 1.00 0.00 C ATOM 953 O THR A 64 73.759 10.514 0.220 1.00 0.00 O ATOM 954 CB THR A 64 71.069 11.358 0.981 1.00 0.00 C ATOM 955 OG1 THR A 64 69.943 11.222 1.835 1.00 0.00 O ATOM 956 CG2 THR A 64 70.726 12.332 -0.148 1.00 0.00 C ATOM 0 H THR A 64 71.740 9.352 2.378 1.00 0.00 H new ATOM 0 HA THR A 64 70.663 9.680 -0.324 1.00 0.00 H new ATOM 0 HB THR A 64 71.920 11.741 1.544 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.713 12.096 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 64 70.474 13.305 0.275 1.00 0.00 H new ATOM 0 HG22 THR A 64 71.584 12.436 -0.812 1.00 0.00 H new ATOM 0 HG23 THR A 64 69.875 11.950 -0.712 1.00 0.00 H new ATOM 964 N LEU A 65 72.745 9.664 -1.608 1.00 0.00 N ATOM 965 CA LEU A 65 73.947 9.706 -2.450 1.00 0.00 C ATOM 966 C LEU A 65 73.853 10.919 -3.373 1.00 0.00 C ATOM 967 O LEU A 65 72.885 11.070 -4.119 1.00 0.00 O ATOM 968 CB LEU A 65 74.040 8.402 -3.267 1.00 0.00 C ATOM 969 CG LEU A 65 75.475 8.183 -3.803 1.00 0.00 C ATOM 970 CD1 LEU A 65 75.678 6.701 -4.138 1.00 0.00 C ATOM 971 CD2 LEU A 65 75.707 9.009 -5.073 1.00 0.00 C ATOM 0 H LEU A 65 71.917 9.298 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 65 74.844 9.794 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 65 73.748 7.557 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 65 73.339 8.440 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 65 76.181 8.497 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 65 76.689 6.548 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 65 75.532 6.102 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 65 74.958 6.398 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 65 76.721 8.842 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 65 74.994 8.706 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 65 75.571 10.067 -4.849 1.00 0.00 H new ATOM 983 N HIS A 66 74.846 11.804 -3.289 1.00 0.00 N ATOM 984 CA HIS A 66 74.847 13.027 -4.093 1.00 0.00 C ATOM 985 C HIS A 66 75.435 12.803 -5.485 1.00 0.00 C ATOM 986 O HIS A 66 76.505 12.209 -5.640 1.00 0.00 O ATOM 987 CB HIS A 66 75.641 14.117 -3.371 1.00 0.00 C ATOM 988 CG HIS A 66 75.418 15.434 -4.060 1.00 0.00 C ATOM 989 ND1 HIS A 66 74.145 15.942 -4.286 1.00 0.00 N ATOM 990 CD2 HIS A 66 76.290 16.358 -4.575 1.00 0.00 C ATOM 991 CE1 HIS A 66 74.289 17.123 -4.915 1.00 0.00 C ATOM 992 NE2 HIS A 66 75.576 17.422 -5.113 1.00 0.00 N ATOM 0 H HIS A 66 75.655 11.699 -2.677 1.00 0.00 H new ATOM 0 HA HIS A 66 73.810 13.337 -4.219 1.00 0.00 H new ATOM 0 HB2 HIS A 66 75.328 14.181 -2.329 1.00 0.00 H new ATOM 0 HB3 HIS A 66 76.702 13.869 -3.370 1.00 0.00 H new ATOM 0 HD1 HIS A 66 73.263 15.501 -4.024 1.00 0.00 H new ATOM 0 HD2 HIS A 66 77.367 16.272 -4.564 1.00 0.00 H new ATOM 0 HE1 HIS A 66 73.466 17.751 -5.222 1.00 0.00 H new ATOM 1000 N LYS A 67 74.715 13.297 -6.493 1.00 0.00 N ATOM 1001 CA LYS A 67 75.146 13.172 -7.887 1.00 0.00 C ATOM 1002 C LYS A 67 75.761 11.798 -8.150 1.00 0.00 C ATOM 1003 O LYS A 67 76.982 11.640 -8.120 1.00 0.00 O ATOM 1004 CB LYS A 67 76.174 14.258 -8.227 1.00 0.00 C ATOM 1005 CG LYS A 67 75.513 15.641 -8.235 1.00 0.00 C ATOM 1006 CD LYS A 67 76.578 16.706 -8.524 1.00 0.00 C ATOM 1007 CE LYS A 67 75.933 18.094 -8.606 1.00 0.00 C ATOM 1008 NZ LYS A 67 75.748 18.627 -7.229 1.00 0.00 N1+ ATOM 0 H LYS A 67 73.829 13.788 -6.370 1.00 0.00 H new ATOM 0 HA LYS A 67 74.265 13.291 -8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 67 76.985 14.240 -7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 67 76.617 14.055 -9.202 1.00 0.00 H new ATOM 0 HG2 LYS A 67 74.729 15.678 -8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 67 75.038 15.836 -7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 67 77.335 16.695 -7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 67 77.086 16.477 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 67 76.562 18.767 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 67 74.973 18.033 -9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 74.817 19.084 -7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 75.805 17.847 -6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 76.493 19.323 -7.023 1.00 0.00 H new ATOM 1022 N VAL A 68 74.912 10.810 -8.414 1.00 0.00 N ATOM 1023 CA VAL A 68 75.387 9.457 -8.690 1.00 0.00 C ATOM 1024 C VAL A 68 76.408 9.466 -9.824 1.00 0.00 C ATOM 1025 O VAL A 68 76.486 10.419 -10.600 1.00 0.00 O ATOM 1026 CB VAL A 68 74.193 8.546 -9.054 1.00 0.00 C ATOM 1027 CG1 VAL A 68 73.842 8.683 -10.542 1.00 0.00 C ATOM 1028 CG2 VAL A 68 74.539 7.077 -8.767 1.00 0.00 C ATOM 0 H VAL A 68 73.898 10.918 -8.443 1.00 0.00 H new ATOM 0 HA VAL A 68 75.873 9.068 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 68 73.341 8.853 -8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 68 72.999 8.034 -10.778 1.00 0.00 H new ATOM 0 HG12 VAL A 68 73.575 9.717 -10.759 1.00 0.00 H new ATOM 0 HG13 VAL A 68 74.702 8.395 -11.147 1.00 0.00 H new ATOM 0 HG21 VAL A 68 73.690 6.446 -9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 68 75.405 6.784 -9.361 1.00 0.00 H new ATOM 0 HG23 VAL A 68 74.769 6.957 -7.708 1.00 0.00 H new ATOM 1038 N THR A 69 77.174 8.386 -9.920 1.00 0.00 N ATOM 1039 CA THR A 69 78.179 8.250 -10.966 1.00 0.00 C ATOM 1040 C THR A 69 78.133 6.842 -11.531 1.00 0.00 C ATOM 1041 O THR A 69 77.548 5.942 -10.930 1.00 0.00 O ATOM 1042 CB THR A 69 79.566 8.528 -10.396 1.00 0.00 C ATOM 1043 OG1 THR A 69 79.948 7.459 -9.540 1.00 0.00 O ATOM 1044 CG2 THR A 69 79.526 9.832 -9.604 1.00 0.00 C ATOM 0 H THR A 69 77.118 7.590 -9.284 1.00 0.00 H new ATOM 0 HA THR A 69 77.970 8.968 -11.759 1.00 0.00 H new ATOM 0 HB THR A 69 80.290 8.615 -11.207 1.00 0.00 H new ATOM 0 HG1 THR A 69 80.840 7.636 -9.174 1.00 0.00 H new ATOM 0 HG21 THR A 69 80.514 10.038 -9.193 1.00 0.00 H new ATOM 0 HG22 THR A 69 79.229 10.649 -10.262 1.00 0.00 H new ATOM 0 HG23 THR A 69 78.806 9.742 -8.791 1.00 0.00 H new ATOM 1052 N LEU A 70 78.763 6.646 -12.676 1.00 0.00 N ATOM 1053 CA LEU A 70 78.785 5.327 -13.286 1.00 0.00 C ATOM 1054 C LEU A 70 79.468 4.356 -12.336 1.00 0.00 C ATOM 1055 O LEU A 70 79.070 3.199 -12.214 1.00 0.00 O ATOM 1056 CB LEU A 70 79.540 5.360 -14.624 1.00 0.00 C ATOM 1057 CG LEU A 70 78.613 5.863 -15.745 1.00 0.00 C ATOM 1058 CD1 LEU A 70 77.514 4.821 -16.055 1.00 0.00 C ATOM 1059 CD2 LEU A 70 77.969 7.190 -15.317 1.00 0.00 C ATOM 0 H LEU A 70 79.259 7.370 -13.196 1.00 0.00 H new ATOM 0 HA LEU A 70 77.761 5.006 -13.478 1.00 0.00 H new ATOM 0 HB2 LEU A 70 80.411 6.011 -14.543 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.909 4.363 -14.867 1.00 0.00 H new ATOM 0 HG LEU A 70 79.204 6.016 -16.648 1.00 0.00 H new ATOM 0 HD11 LEU A 70 76.870 5.197 -16.850 1.00 0.00 H new ATOM 0 HD12 LEU A 70 77.977 3.887 -16.374 1.00 0.00 H new ATOM 0 HD13 LEU A 70 76.918 4.643 -15.160 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.312 7.548 -16.110 1.00 0.00 H new ATOM 0 HD22 LEU A 70 77.389 7.036 -14.407 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.748 7.929 -15.130 1.00 0.00 H new ATOM 1071 N GLU A 71 80.504 4.845 -11.674 1.00 0.00 N ATOM 1072 CA GLU A 71 81.253 4.023 -10.736 1.00 0.00 C ATOM 1073 C GLU A 71 80.400 3.674 -9.514 1.00 0.00 C ATOM 1074 O GLU A 71 80.513 2.579 -8.965 1.00 0.00 O ATOM 1075 CB GLU A 71 82.507 4.763 -10.271 1.00 0.00 C ATOM 1076 CG GLU A 71 83.448 5.022 -11.454 1.00 0.00 C ATOM 1077 CD GLU A 71 83.972 3.709 -12.024 1.00 0.00 C ATOM 1078 OE1 GLU A 71 84.430 3.718 -13.154 1.00 0.00 O ATOM 1079 OE2 GLU A 71 83.903 2.712 -11.323 1.00 0.00 O1- ATOM 0 H GLU A 71 80.845 5.802 -11.767 1.00 0.00 H new ATOM 0 HA GLU A 71 81.535 3.103 -11.249 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.227 5.709 -9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 71 83.022 4.176 -9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.920 5.576 -12.230 1.00 0.00 H new ATOM 0 HG3 GLU A 71 84.284 5.643 -11.131 1.00 0.00 H new ATOM 1086 N ASP A 72 79.567 4.618 -9.075 1.00 0.00 N ATOM 1087 CA ASP A 72 78.732 4.391 -7.894 1.00 0.00 C ATOM 1088 C ASP A 72 77.734 3.258 -8.144 1.00 0.00 C ATOM 1089 O ASP A 72 77.443 2.471 -7.243 1.00 0.00 O ATOM 1090 CB ASP A 72 77.975 5.684 -7.519 1.00 0.00 C ATOM 1091 CG ASP A 72 78.845 6.596 -6.648 1.00 0.00 C ATOM 1092 OD1 ASP A 72 78.559 7.780 -6.604 1.00 0.00 O ATOM 1093 OD2 ASP A 72 79.780 6.103 -6.037 1.00 0.00 O1- ATOM 0 H ASP A 72 79.453 5.533 -9.511 1.00 0.00 H new ATOM 0 HA ASP A 72 79.382 4.105 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 72 77.681 6.213 -8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 72 77.059 5.432 -6.985 1.00 0.00 H new ATOM 1098 N ALA A 73 77.213 3.174 -9.364 1.00 0.00 N ATOM 1099 CA ALA A 73 76.249 2.125 -9.688 1.00 0.00 C ATOM 1100 C ALA A 73 76.871 0.746 -9.490 1.00 0.00 C ATOM 1101 O ALA A 73 78.045 0.534 -9.794 1.00 0.00 O ATOM 1102 CB ALA A 73 75.776 2.270 -11.135 1.00 0.00 C ATOM 0 H ALA A 73 77.436 3.806 -10.133 1.00 0.00 H new ATOM 0 HA ALA A 73 75.395 2.228 -9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 73 75.058 1.482 -11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 73 75.302 3.243 -11.267 1.00 0.00 H new ATOM 0 HB3 ALA A 73 76.630 2.189 -11.807 1.00 0.00 H new ATOM 1108 N GLY A 74 76.075 -0.188 -8.978 1.00 0.00 N ATOM 1109 CA GLY A 74 76.555 -1.546 -8.742 1.00 0.00 C ATOM 1110 C GLY A 74 75.428 -2.443 -8.235 1.00 0.00 C ATOM 1111 O GLY A 74 74.250 -2.095 -8.332 1.00 0.00 O ATOM 0 H GLY A 74 75.101 -0.031 -8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 74 76.964 -1.957 -9.665 1.00 0.00 H new ATOM 0 HA3 GLY A 74 77.366 -1.528 -8.014 1.00 0.00 H new ATOM 1115 N THR A 75 75.801 -3.603 -7.696 1.00 0.00 N ATOM 1116 CA THR A 75 74.822 -4.562 -7.177 1.00 0.00 C ATOM 1117 C THR A 75 74.702 -4.436 -5.661 1.00 0.00 C ATOM 1118 O THR A 75 75.690 -4.570 -4.941 1.00 0.00 O ATOM 1119 CB THR A 75 75.268 -5.988 -7.527 1.00 0.00 C ATOM 1120 OG1 THR A 75 75.455 -6.093 -8.931 1.00 0.00 O ATOM 1121 CG2 THR A 75 74.209 -6.999 -7.078 1.00 0.00 C ATOM 0 H THR A 75 76.772 -3.903 -7.607 1.00 0.00 H new ATOM 0 HA THR A 75 73.853 -4.350 -7.630 1.00 0.00 H new ATOM 0 HB THR A 75 76.205 -6.203 -7.012 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.742 -7.003 -9.156 1.00 0.00 H new ATOM 0 HG21 THR A 75 74.537 -8.007 -7.332 1.00 0.00 H new ATOM 0 HG22 THR A 75 74.069 -6.924 -6.000 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.266 -6.787 -7.582 1.00 0.00 H new ATOM 1129 N VAL A 76 73.485 -4.190 -5.180 1.00 0.00 N ATOM 1130 CA VAL A 76 73.238 -4.061 -3.739 1.00 0.00 C ATOM 1131 C VAL A 76 72.537 -5.308 -3.199 1.00 0.00 C ATOM 1132 O VAL A 76 71.786 -5.956 -3.918 1.00 0.00 O ATOM 1133 CB VAL A 76 72.374 -2.826 -3.471 1.00 0.00 C ATOM 1134 CG1 VAL A 76 73.207 -1.567 -3.710 1.00 0.00 C ATOM 1135 CG2 VAL A 76 71.158 -2.823 -4.412 1.00 0.00 C ATOM 0 H VAL A 76 72.655 -4.076 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 76 74.196 -3.953 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 76 72.025 -2.847 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 76 72.596 -0.685 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 76 74.065 -1.565 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 76 73.555 -1.552 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 76 70.548 -1.941 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 76 71.499 -2.805 -5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 76 70.564 -3.721 -4.241 1.00 0.00 H new ATOM 1145 N SER A 77 72.787 -5.636 -1.932 1.00 0.00 N ATOM 1146 CA SER A 77 72.162 -6.808 -1.315 1.00 0.00 C ATOM 1147 C SER A 77 72.185 -6.694 0.212 1.00 0.00 C ATOM 1148 O SER A 77 73.007 -5.970 0.776 1.00 0.00 O ATOM 1149 CB SER A 77 72.891 -8.086 -1.736 1.00 0.00 C ATOM 1150 OG SER A 77 74.271 -7.962 -1.433 1.00 0.00 O ATOM 0 H SER A 77 73.411 -5.114 -1.317 1.00 0.00 H new ATOM 0 HA SER A 77 71.127 -6.853 -1.654 1.00 0.00 H new ATOM 0 HB2 SER A 77 72.469 -8.946 -1.217 1.00 0.00 H new ATOM 0 HB3 SER A 77 72.756 -8.260 -2.803 1.00 0.00 H new ATOM 0 HG SER A 77 74.739 -8.780 -1.700 1.00 0.00 H new ATOM 1156 N PHE A 78 71.287 -7.427 0.875 1.00 0.00 N ATOM 1157 CA PHE A 78 71.215 -7.417 2.342 1.00 0.00 C ATOM 1158 C PHE A 78 70.874 -8.815 2.856 1.00 0.00 C ATOM 1159 O PHE A 78 70.306 -9.632 2.126 1.00 0.00 O ATOM 1160 CB PHE A 78 70.140 -6.434 2.813 1.00 0.00 C ATOM 1161 CG PHE A 78 68.790 -6.947 2.382 1.00 0.00 C ATOM 1162 CD1 PHE A 78 68.111 -7.861 3.192 1.00 0.00 C ATOM 1163 CD2 PHE A 78 68.224 -6.525 1.174 1.00 0.00 C ATOM 1164 CE1 PHE A 78 66.865 -8.357 2.799 1.00 0.00 C ATOM 1165 CE2 PHE A 78 66.977 -7.018 0.778 1.00 0.00 C ATOM 1166 CZ PHE A 78 66.295 -7.934 1.591 1.00 0.00 C ATOM 0 H PHE A 78 70.602 -8.033 0.424 1.00 0.00 H new ATOM 0 HA PHE A 78 72.184 -7.108 2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 78 70.175 -6.328 3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 78 70.321 -5.446 2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.550 -8.185 4.124 1.00 0.00 H new ATOM 0 HD2 PHE A 78 68.750 -5.819 0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 78 66.342 -9.065 3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 78 66.539 -6.693 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 78 65.331 -8.313 1.286 1.00 0.00 H new ATOM 1176 N HIS A 79 71.222 -9.085 4.116 1.00 0.00 N ATOM 1177 CA HIS A 79 70.951 -10.397 4.714 1.00 0.00 C ATOM 1178 C HIS A 79 70.555 -10.280 6.184 1.00 0.00 C ATOM 1179 O HIS A 79 71.135 -9.501 6.942 1.00 0.00 O ATOM 1180 CB HIS A 79 72.198 -11.276 4.599 1.00 0.00 C ATOM 1181 CG HIS A 79 72.403 -11.678 3.164 1.00 0.00 C ATOM 1182 ND1 HIS A 79 72.904 -10.803 2.216 1.00 0.00 N ATOM 1183 CD2 HIS A 79 72.181 -12.860 2.503 1.00 0.00 C ATOM 1184 CE1 HIS A 79 72.969 -11.467 1.045 1.00 0.00 C ATOM 1185 NE2 HIS A 79 72.540 -12.725 1.166 1.00 0.00 N ATOM 0 H HIS A 79 71.687 -8.422 4.737 1.00 0.00 H new ATOM 0 HA HIS A 79 70.117 -10.844 4.173 1.00 0.00 H new ATOM 0 HB2 HIS A 79 73.071 -10.735 4.964 1.00 0.00 H new ATOM 0 HB3 HIS A 79 72.089 -12.163 5.223 1.00 0.00 H new ATOM 0 HD2 HIS A 79 71.787 -13.759 2.953 1.00 0.00 H new ATOM 0 HE1 HIS A 79 73.325 -11.034 0.122 1.00 0.00 H new ATOM 0 HE2 HIS A 79 72.487 -13.435 0.435 1.00 0.00 H new ATOM 1193 N VAL A 80 69.570 -11.090 6.572 1.00 0.00 N ATOM 1194 CA VAL A 80 69.080 -11.132 7.950 1.00 0.00 C ATOM 1195 C VAL A 80 68.702 -12.574 8.306 1.00 0.00 C ATOM 1196 O VAL A 80 68.203 -13.315 7.460 1.00 0.00 O ATOM 1197 CB VAL A 80 67.874 -10.202 8.124 1.00 0.00 C ATOM 1198 CG1 VAL A 80 66.830 -10.502 7.051 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.257 -10.410 9.514 1.00 0.00 C ATOM 0 H VAL A 80 69.091 -11.734 5.942 1.00 0.00 H new ATOM 0 HA VAL A 80 69.867 -10.788 8.621 1.00 0.00 H new ATOM 0 HB VAL A 80 68.203 -9.168 8.026 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.975 -9.838 7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 80 67.266 -10.345 6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 80 66.502 -11.538 7.142 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.400 -9.747 9.635 1.00 0.00 H new ATOM 0 HG22 VAL A 80 66.932 -11.445 9.617 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.000 -10.185 10.279 1.00 0.00 H new ATOM 1209 N GLY A 81 68.965 -12.966 9.549 1.00 0.00 N ATOM 1210 CA GLY A 81 68.680 -14.328 10.006 1.00 0.00 C ATOM 1211 C GLY A 81 67.332 -14.848 9.515 1.00 0.00 C ATOM 1212 O GLY A 81 67.061 -16.050 9.587 1.00 0.00 O ATOM 0 H GLY A 81 69.375 -12.361 10.261 1.00 0.00 H new ATOM 0 HA2 GLY A 81 69.469 -14.995 9.659 1.00 0.00 H new ATOM 0 HA3 GLY A 81 68.698 -14.352 11.096 1.00 0.00 H new ATOM 1216 N THR A 82 66.487 -13.958 9.020 1.00 0.00 N ATOM 1217 CA THR A 82 65.176 -14.365 8.526 1.00 0.00 C ATOM 1218 C THR A 82 65.261 -14.727 7.052 1.00 0.00 C ATOM 1219 O THR A 82 65.199 -15.901 6.683 1.00 0.00 O ATOM 1220 CB THR A 82 64.171 -13.231 8.726 1.00 0.00 C ATOM 1221 OG1 THR A 82 64.666 -12.054 8.104 1.00 0.00 O ATOM 1222 CG2 THR A 82 63.978 -12.987 10.225 1.00 0.00 C ATOM 0 H THR A 82 66.680 -12.959 8.949 1.00 0.00 H new ATOM 0 HA THR A 82 64.844 -15.240 9.085 1.00 0.00 H new ATOM 0 HB THR A 82 63.213 -13.499 8.279 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.069 -11.795 7.371 1.00 0.00 H new ATOM 0 HG21 THR A 82 63.262 -12.179 10.373 1.00 0.00 H new ATOM 0 HG22 THR A 82 63.602 -13.895 10.696 1.00 0.00 H new ATOM 0 HG23 THR A 82 64.932 -12.713 10.675 1.00 0.00 H new ATOM 1230 N CYS A 83 65.406 -13.708 6.208 1.00 0.00 N ATOM 1231 CA CYS A 83 65.500 -13.920 4.764 1.00 0.00 C ATOM 1232 C CYS A 83 66.555 -12.999 4.152 1.00 0.00 C ATOM 1233 O CYS A 83 67.286 -12.317 4.863 1.00 0.00 O ATOM 1234 CB CYS A 83 64.141 -13.650 4.117 1.00 0.00 C ATOM 1235 SG CYS A 83 64.072 -14.438 2.490 1.00 0.00 S ATOM 0 H CYS A 83 65.461 -12.731 6.496 1.00 0.00 H new ATOM 0 HA CYS A 83 65.794 -14.954 4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 83 63.343 -14.034 4.752 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.981 -12.576 4.019 1.00 0.00 H new ATOM 0 HG CYS A 83 62.915 -14.207 1.945 1.00 0.00 H new ATOM 1241 N SER A 84 66.621 -12.988 2.827 1.00 0.00 N ATOM 1242 CA SER A 84 67.581 -12.149 2.125 1.00 0.00 C ATOM 1243 C SER A 84 67.121 -11.914 0.698 1.00 0.00 C ATOM 1244 O SER A 84 66.266 -12.637 0.186 1.00 0.00 O ATOM 1245 CB SER A 84 68.953 -12.818 2.101 1.00 0.00 C ATOM 1246 OG SER A 84 68.825 -14.128 1.564 1.00 0.00 O ATOM 0 H SER A 84 66.023 -13.549 2.220 1.00 0.00 H new ATOM 0 HA SER A 84 67.652 -11.196 2.650 1.00 0.00 H new ATOM 0 HB2 SER A 84 69.646 -12.231 1.499 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.366 -12.864 3.109 1.00 0.00 H new ATOM 0 HG SER A 84 69.704 -14.561 1.545 1.00 0.00 H new ATOM 1252 N SER A 85 67.694 -10.908 0.053 1.00 0.00 N ATOM 1253 CA SER A 85 67.331 -10.610 -1.323 1.00 0.00 C ATOM 1254 C SER A 85 68.382 -9.736 -1.988 1.00 0.00 C ATOM 1255 O SER A 85 69.330 -9.284 -1.347 1.00 0.00 O ATOM 1256 CB SER A 85 65.976 -9.911 -1.370 1.00 0.00 C ATOM 1257 OG SER A 85 65.009 -10.724 -0.715 1.00 0.00 O ATOM 0 H SER A 85 68.402 -10.293 0.454 1.00 0.00 H new ATOM 0 HA SER A 85 67.271 -11.553 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 85 66.039 -8.937 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.680 -9.734 -2.404 1.00 0.00 H new ATOM 0 HG SER A 85 65.296 -11.660 -0.742 1.00 0.00 H new ATOM 1263 N GLU A 86 68.206 -9.513 -3.287 1.00 0.00 N ATOM 1264 CA GLU A 86 69.140 -8.697 -4.061 1.00 0.00 C ATOM 1265 C GLU A 86 68.390 -7.756 -4.998 1.00 0.00 C ATOM 1266 O GLU A 86 67.281 -8.049 -5.442 1.00 0.00 O ATOM 1267 CB GLU A 86 70.051 -9.601 -4.892 1.00 0.00 C ATOM 1268 CG GLU A 86 69.210 -10.672 -5.590 1.00 0.00 C ATOM 1269 CD GLU A 86 68.830 -11.770 -4.598 1.00 0.00 C ATOM 1270 OE1 GLU A 86 67.689 -12.204 -4.631 1.00 0.00 O ATOM 1271 OE2 GLU A 86 69.687 -12.166 -3.824 1.00 0.00 O1- ATOM 0 H GLU A 86 67.425 -9.886 -3.827 1.00 0.00 H new ATOM 0 HA GLU A 86 69.734 -8.106 -3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 86 70.592 -9.010 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 86 70.798 -10.070 -4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 86 68.310 -10.223 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 86 69.770 -11.100 -6.422 1.00 0.00 H new ATOM 1278 N ALA A 87 69.031 -6.633 -5.307 1.00 0.00 N ATOM 1279 CA ALA A 87 68.468 -5.634 -6.208 1.00 0.00 C ATOM 1280 C ALA A 87 69.592 -5.029 -7.039 1.00 0.00 C ATOM 1281 O ALA A 87 70.741 -4.991 -6.596 1.00 0.00 O ATOM 1282 CB ALA A 87 67.766 -4.535 -5.414 1.00 0.00 C ATOM 0 H ALA A 87 69.952 -6.391 -4.941 1.00 0.00 H new ATOM 0 HA ALA A 87 67.736 -6.110 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.352 -3.798 -6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 87 66.962 -4.971 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 87 68.483 -4.050 -4.751 1.00 0.00 H new ATOM 1288 N GLN A 88 69.272 -4.571 -8.248 1.00 0.00 N ATOM 1289 CA GLN A 88 70.290 -3.995 -9.133 1.00 0.00 C ATOM 1290 C GLN A 88 70.103 -2.488 -9.314 1.00 0.00 C ATOM 1291 O GLN A 88 69.017 -2.008 -9.662 1.00 0.00 O ATOM 1292 CB GLN A 88 70.234 -4.699 -10.494 1.00 0.00 C ATOM 1293 CG GLN A 88 70.621 -6.170 -10.307 1.00 0.00 C ATOM 1294 CD GLN A 88 70.482 -6.934 -11.621 1.00 0.00 C ATOM 1295 OE1 GLN A 88 69.767 -6.497 -12.521 1.00 0.00 O ATOM 1296 NE2 GLN A 88 71.115 -8.069 -11.779 1.00 0.00 N ATOM 0 H GLN A 88 68.329 -4.585 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 88 71.266 -4.148 -8.672 1.00 0.00 H new ATOM 0 HB2 GLN A 88 69.232 -4.623 -10.917 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.914 -4.217 -11.196 1.00 0.00 H new ATOM 0 HG2 GLN A 88 71.648 -6.238 -9.947 1.00 0.00 H new ATOM 0 HG3 GLN A 88 69.986 -6.625 -9.547 1.00 0.00 H new ATOM 0 HE21 GLN A 88 71.708 -8.431 -11.032 1.00 0.00 H new ATOM 0 HE22 GLN A 88 71.015 -8.592 -12.649 1.00 0.00 H new ATOM 1305 N LEU A 89 71.197 -1.753 -9.089 1.00 0.00 N ATOM 1306 CA LEU A 89 71.208 -0.297 -9.239 1.00 0.00 C ATOM 1307 C LEU A 89 71.854 0.054 -10.577 1.00 0.00 C ATOM 1308 O LEU A 89 73.041 0.372 -10.646 1.00 0.00 O ATOM 1309 CB LEU A 89 72.008 0.339 -8.085 1.00 0.00 C ATOM 1310 CG LEU A 89 72.112 1.864 -8.259 1.00 0.00 C ATOM 1311 CD1 LEU A 89 70.715 2.491 -8.352 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.865 2.452 -7.056 1.00 0.00 C ATOM 0 H LEU A 89 72.092 -2.148 -8.800 1.00 0.00 H new ATOM 0 HA LEU A 89 70.188 0.087 -9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.526 0.110 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 89 73.007 -0.095 -8.048 1.00 0.00 H new ATOM 0 HG LEU A 89 72.650 2.084 -9.181 1.00 0.00 H new ATOM 0 HD11 LEU A 89 70.808 3.570 -8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 89 70.185 2.073 -9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 89 70.158 2.276 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 89 72.944 3.533 -7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 89 72.322 2.222 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 89 73.864 2.018 -7.005 1.00 0.00 H new ATOM 1324 N LYS A 90 71.064 -0.026 -11.645 1.00 0.00 N ATOM 1325 CA LYS A 90 71.554 0.266 -12.988 1.00 0.00 C ATOM 1326 C LYS A 90 71.256 1.725 -13.332 1.00 0.00 C ATOM 1327 O LYS A 90 70.567 2.410 -12.579 1.00 0.00 O ATOM 1328 CB LYS A 90 70.868 -0.676 -13.990 1.00 0.00 C ATOM 1329 CG LYS A 90 71.258 -2.124 -13.659 1.00 0.00 C ATOM 1330 CD LYS A 90 70.472 -3.103 -14.542 1.00 0.00 C ATOM 1331 CE LYS A 90 71.070 -3.146 -15.953 1.00 0.00 C ATOM 1332 NZ LYS A 90 70.506 -4.308 -16.700 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.080 -0.291 -11.605 1.00 0.00 H new ATOM 0 HA LYS A 90 72.632 0.110 -13.036 1.00 0.00 H new ATOM 0 HB2 LYS A 90 69.786 -0.556 -13.940 1.00 0.00 H new ATOM 0 HB3 LYS A 90 71.169 -0.428 -15.008 1.00 0.00 H new ATOM 0 HG2 LYS A 90 72.328 -2.264 -13.813 1.00 0.00 H new ATOM 0 HG3 LYS A 90 71.057 -2.331 -12.608 1.00 0.00 H new ATOM 0 HD2 LYS A 90 70.493 -4.099 -14.100 1.00 0.00 H new ATOM 0 HD3 LYS A 90 69.426 -2.799 -14.592 1.00 0.00 H new ATOM 0 HE2 LYS A 90 70.848 -2.219 -16.481 1.00 0.00 H new ATOM 0 HE3 LYS A 90 72.155 -3.229 -15.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 70.912 -4.336 -17.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 70.739 -5.189 -16.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 69.473 -4.210 -16.766 1.00 0.00 H new ATOM 1346 N VAL A 91 71.777 2.199 -14.462 1.00 0.00 N ATOM 1347 CA VAL A 91 71.552 3.586 -14.887 1.00 0.00 C ATOM 1348 C VAL A 91 70.765 3.598 -16.191 1.00 0.00 C ATOM 1349 O VAL A 91 70.979 2.756 -17.062 1.00 0.00 O ATOM 1350 CB VAL A 91 72.892 4.302 -15.084 1.00 0.00 C ATOM 1351 CG1 VAL A 91 73.519 4.600 -13.715 1.00 0.00 C ATOM 1352 CG2 VAL A 91 73.836 3.412 -15.899 1.00 0.00 C ATOM 0 H VAL A 91 72.355 1.650 -15.099 1.00 0.00 H new ATOM 0 HA VAL A 91 70.985 4.107 -14.116 1.00 0.00 H new ATOM 0 HB VAL A 91 72.728 5.237 -15.619 1.00 0.00 H new ATOM 0 HG11 VAL A 91 74.472 5.109 -13.855 1.00 0.00 H new ATOM 0 HG12 VAL A 91 72.848 5.237 -13.139 1.00 0.00 H new ATOM 0 HG13 VAL A 91 73.682 3.665 -13.178 1.00 0.00 H new ATOM 0 HG21 VAL A 91 74.789 3.923 -16.038 1.00 0.00 H new ATOM 0 HG22 VAL A 91 74.001 2.475 -15.368 1.00 0.00 H new ATOM 0 HG23 VAL A 91 73.391 3.204 -16.872 1.00 0.00 H new ATOM 1362 N THR A 92 69.845 4.545 -16.320 1.00 0.00 N ATOM 1363 CA THR A 92 69.036 4.633 -17.530 1.00 0.00 C ATOM 1364 C THR A 92 69.931 4.950 -18.725 1.00 0.00 C ATOM 1365 O THR A 92 70.811 5.805 -18.643 1.00 0.00 O ATOM 1366 CB THR A 92 67.960 5.711 -17.376 1.00 0.00 C ATOM 1367 OG1 THR A 92 67.229 5.478 -16.181 1.00 0.00 O ATOM 1368 CG2 THR A 92 67.007 5.664 -18.572 1.00 0.00 C ATOM 0 H THR A 92 69.642 5.253 -15.614 1.00 0.00 H new ATOM 0 HA THR A 92 68.543 3.675 -17.696 1.00 0.00 H new ATOM 0 HB THR A 92 68.434 6.691 -17.331 1.00 0.00 H new ATOM 0 HG1 THR A 92 66.540 6.168 -16.079 1.00 0.00 H new ATOM 0 HG21 THR A 92 66.243 6.433 -18.459 1.00 0.00 H new ATOM 0 HG22 THR A 92 67.567 5.841 -19.490 1.00 0.00 H new ATOM 0 HG23 THR A 92 66.532 4.684 -18.620 1.00 0.00 H new