USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 708 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 72 THR OG1 : rot -170:sc= 0.0415 USER MOD Set 1.2: A 74 ASN : amide:sc= 0 X(o=0.041,f=0.018) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 41 THR OG1 : rot 180:sc= -0.354 USER MOD Set 3.1: A 12 LYS NZ :NH3+ 174:sc= 3.02 (180deg=2.12) USER MOD Set 3.2: A 43 THR OG1 : rot 60:sc= 0.918 USER MOD Set 4.1: A 3 MET CE :methyl -170:sc= -0.26 (180deg=-0.0859) USER MOD Set 4.2: A 59 GLN : amide:sc= -0.0196 K(o=-0.28,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.133 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 24 MET CE :methyl -160:sc= -0.112 (180deg=-0.619) USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= 2.36 (180deg=2.17) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0335 X(o=-0.033,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.0892! X(o=-0.089!,f=-0.11) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0677 F(o=-0.65,f=-0.068) USER MOD Single : A 67 SER OG : rot -61:sc= 1.21 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.192 F(o=-1.8,f=-0.19) USER MOD Single : A 78 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 82 ASN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 83 THR OG1 : rot 60:sc= 0.114 USER MOD Single : A 84 LYS NZ :NH3+ -174:sc=-0.00678 (180deg=-0.072) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.318 -14.979 1.491 1.00 0.00 N ATOM 2 CA GLY A 1 12.773 -14.940 0.143 1.00 0.00 C ATOM 3 C GLY A 1 13.246 -13.717 -0.587 1.00 0.00 C ATOM 4 O GLY A 1 14.204 -13.083 -0.162 1.00 0.00 O ATOM 0 H1 GLY A 1 13.712 -15.923 1.679 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.069 -14.266 1.583 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.563 -14.776 2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.075 -15.834 -0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.684 -14.945 0.186 1.00 0.00 H new ATOM 10 N HIS A 2 12.577 -13.370 -1.668 1.00 0.00 N ATOM 11 CA HIS A 2 12.956 -12.209 -2.480 1.00 0.00 C ATOM 12 C HIS A 2 11.886 -11.135 -2.410 1.00 0.00 C ATOM 13 O HIS A 2 11.886 -10.199 -3.229 1.00 0.00 O ATOM 14 CB HIS A 2 13.153 -12.616 -3.952 1.00 0.00 C ATOM 15 CG HIS A 2 14.223 -13.633 -4.188 1.00 0.00 C ATOM 16 ND1 HIS A 2 13.989 -14.892 -4.700 1.00 0.00 N ATOM 17 CD2 HIS A 2 15.558 -13.549 -3.999 1.00 0.00 C ATOM 18 CE1 HIS A 2 15.159 -15.524 -4.802 1.00 0.00 C ATOM 19 NE2 HIS A 2 16.154 -14.749 -4.388 1.00 0.00 N ATOM 0 H HIS A 2 11.761 -13.874 -2.014 1.00 0.00 H new ATOM 0 HA HIS A 2 13.892 -11.819 -2.081 1.00 0.00 H new ATOM 0 HB2 HIS A 2 12.210 -13.007 -4.335 1.00 0.00 H new ATOM 0 HB3 HIS A 2 13.387 -11.723 -4.532 1.00 0.00 H new ATOM 0 HD2 HIS A 2 16.081 -12.689 -3.608 1.00 0.00 H new ATOM 0 HE1 HIS A 2 15.281 -16.531 -5.172 1.00 0.00 H new ATOM 0 HE2 HIS A 2 17.147 -14.982 -4.360 1.00 0.00 H new ATOM 27 N MET A 3 11.028 -11.238 -1.383 1.00 0.00 N ATOM 28 CA MET A 3 9.839 -10.406 -1.186 1.00 0.00 C ATOM 29 C MET A 3 8.784 -10.783 -2.197 1.00 0.00 C ATOM 30 O MET A 3 8.993 -10.680 -3.399 1.00 0.00 O ATOM 31 CB MET A 3 10.157 -8.912 -1.235 1.00 0.00 C ATOM 32 CG MET A 3 8.975 -7.991 -0.936 1.00 0.00 C ATOM 33 SD MET A 3 9.430 -6.244 -1.010 1.00 0.00 S ATOM 34 CE MET A 3 7.927 -5.456 -0.428 1.00 0.00 C ATOM 0 H MET A 3 11.151 -11.929 -0.643 1.00 0.00 H new ATOM 0 HA MET A 3 9.455 -10.597 -0.184 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.952 -8.701 -0.520 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.545 -8.671 -2.224 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.175 -8.186 -1.651 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.581 -8.220 0.054 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.995 -4.380 -0.587 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.073 -5.851 -0.978 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.799 -5.658 0.635 1.00 0.00 H new ATOM 44 N GLU A 4 7.679 -11.257 -1.715 1.00 0.00 N ATOM 45 CA GLU A 4 6.615 -11.694 -2.580 1.00 0.00 C ATOM 46 C GLU A 4 5.733 -10.524 -2.910 1.00 0.00 C ATOM 47 O GLU A 4 5.048 -10.028 -2.040 1.00 0.00 O ATOM 48 CB GLU A 4 5.799 -12.781 -1.890 1.00 0.00 C ATOM 49 CG GLU A 4 4.723 -13.404 -2.762 1.00 0.00 C ATOM 50 CD GLU A 4 4.001 -14.536 -2.079 1.00 0.00 C ATOM 51 OE1 GLU A 4 4.439 -15.700 -2.206 1.00 0.00 O ATOM 52 OE2 GLU A 4 2.978 -14.296 -1.419 1.00 0.00 O ATOM 0 H GLU A 4 7.484 -11.354 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 4 7.037 -12.101 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.475 -13.566 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.330 -12.358 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.002 -12.637 -3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.176 -13.771 -3.683 1.00 0.00 H new ATOM 59 N LEU A 5 5.806 -10.047 -4.129 1.00 0.00 N ATOM 60 CA LEU A 5 4.965 -8.966 -4.565 1.00 0.00 C ATOM 61 C LEU A 5 3.696 -9.553 -5.136 1.00 0.00 C ATOM 62 O LEU A 5 3.739 -10.322 -6.104 1.00 0.00 O ATOM 63 CB LEU A 5 5.657 -8.085 -5.621 1.00 0.00 C ATOM 64 CG LEU A 5 7.017 -7.462 -5.263 1.00 0.00 C ATOM 65 CD1 LEU A 5 7.012 -6.846 -3.891 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.169 -8.434 -5.440 1.00 0.00 C ATOM 0 H LEU A 5 6.447 -10.397 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 5 4.746 -8.327 -3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.791 -8.685 -6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.975 -7.274 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 5 7.180 -6.655 -5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.992 -6.418 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.257 -6.061 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.783 -7.611 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.104 -7.942 -5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.017 -9.299 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.214 -8.760 -6.479 1.00 0.00 H new ATOM 78 N PHE A 6 2.595 -9.202 -4.562 1.00 0.00 N ATOM 79 CA PHE A 6 1.333 -9.766 -4.919 1.00 0.00 C ATOM 80 C PHE A 6 0.264 -8.701 -5.143 1.00 0.00 C ATOM 81 O PHE A 6 0.239 -7.675 -4.477 1.00 0.00 O ATOM 82 CB PHE A 6 0.873 -10.769 -3.844 1.00 0.00 C ATOM 83 CG PHE A 6 0.980 -10.270 -2.430 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.025 -9.421 -1.916 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.037 -10.639 -1.630 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.121 -8.944 -0.626 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.146 -10.168 -0.344 1.00 0.00 C ATOM 88 CZ PHE A 6 1.187 -9.317 0.163 1.00 0.00 C ATOM 0 H PHE A 6 2.544 -8.504 -3.820 1.00 0.00 H new ATOM 0 HA PHE A 6 1.469 -10.289 -5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.164 -11.041 -4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.465 -11.679 -3.939 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.811 -9.125 -2.532 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.791 -11.308 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.636 -8.281 -0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.983 -10.465 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.271 -8.945 1.173 1.00 0.00 H new ATOM 98 N PRO A 7 -0.606 -8.927 -6.099 1.00 0.00 N ATOM 99 CA PRO A 7 -1.734 -8.052 -6.362 1.00 0.00 C ATOM 100 C PRO A 7 -2.925 -8.361 -5.466 1.00 0.00 C ATOM 101 O PRO A 7 -3.362 -9.512 -5.343 1.00 0.00 O ATOM 102 CB PRO A 7 -2.088 -8.389 -7.783 1.00 0.00 C ATOM 103 CG PRO A 7 -1.735 -9.838 -7.920 1.00 0.00 C ATOM 104 CD PRO A 7 -0.548 -10.054 -7.042 1.00 0.00 C ATOM 0 HA PRO A 7 -1.489 -7.005 -6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.146 -8.217 -7.981 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.528 -7.775 -8.489 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.567 -10.473 -7.616 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.505 -10.088 -8.956 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.601 -11.012 -6.525 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.380 -10.051 -7.614 1.00 0.00 H new ATOM 112 N VAL A 8 -3.415 -7.367 -4.818 1.00 0.00 N ATOM 113 CA VAL A 8 -4.605 -7.503 -4.037 1.00 0.00 C ATOM 114 C VAL A 8 -5.648 -6.595 -4.626 1.00 0.00 C ATOM 115 O VAL A 8 -5.551 -5.379 -4.494 1.00 0.00 O ATOM 116 CB VAL A 8 -4.398 -7.126 -2.551 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.634 -7.449 -1.717 1.00 0.00 C ATOM 118 CG2 VAL A 8 -3.165 -7.785 -1.980 1.00 0.00 C ATOM 0 H VAL A 8 -3.007 -6.432 -4.810 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.907 -8.550 -4.062 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.244 -6.048 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.455 -7.172 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.488 -6.889 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.844 -8.517 -1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.050 -7.498 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.266 -8.868 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.288 -7.465 -2.542 1.00 0.00 H new ATOM 128 N GLU A 9 -6.593 -7.152 -5.322 1.00 0.00 N ATOM 129 CA GLU A 9 -7.636 -6.353 -5.891 1.00 0.00 C ATOM 130 C GLU A 9 -8.784 -6.281 -4.905 1.00 0.00 C ATOM 131 O GLU A 9 -9.558 -7.238 -4.727 1.00 0.00 O ATOM 132 CB GLU A 9 -8.067 -6.870 -7.262 1.00 0.00 C ATOM 133 CG GLU A 9 -9.031 -5.944 -7.985 1.00 0.00 C ATOM 134 CD GLU A 9 -9.287 -6.377 -9.400 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.542 -5.960 -10.308 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.239 -7.139 -9.645 1.00 0.00 O ATOM 0 H GLU A 9 -6.664 -8.152 -5.509 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.266 -5.344 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.182 -7.015 -7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.535 -7.847 -7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.975 -5.911 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.627 -4.932 -7.985 1.00 0.00 H new ATOM 143 N LEU A 10 -8.861 -5.172 -4.244 1.00 0.00 N ATOM 144 CA LEU A 10 -9.791 -4.964 -3.189 1.00 0.00 C ATOM 145 C LEU A 10 -11.042 -4.371 -3.792 1.00 0.00 C ATOM 146 O LEU A 10 -10.957 -3.627 -4.764 1.00 0.00 O ATOM 147 CB LEU A 10 -9.170 -3.942 -2.222 1.00 0.00 C ATOM 148 CG LEU A 10 -9.450 -4.072 -0.710 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.926 -4.153 -0.386 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.687 -5.240 -0.129 1.00 0.00 C ATOM 0 H LEU A 10 -8.263 -4.367 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.025 -5.892 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.089 -3.974 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.502 -2.952 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.093 -3.156 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.057 -4.243 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.426 -3.251 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.359 -5.024 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.896 -5.317 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.995 -6.160 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.618 -5.087 -0.279 1.00 0.00 H new ATOM 162 N GLU A 11 -12.170 -4.732 -3.268 1.00 0.00 N ATOM 163 CA GLU A 11 -13.399 -4.096 -3.625 1.00 0.00 C ATOM 164 C GLU A 11 -13.896 -3.352 -2.399 1.00 0.00 C ATOM 165 O GLU A 11 -14.604 -3.909 -1.553 1.00 0.00 O ATOM 166 CB GLU A 11 -14.430 -5.104 -4.150 1.00 0.00 C ATOM 167 CG GLU A 11 -15.784 -4.499 -4.490 1.00 0.00 C ATOM 168 CD GLU A 11 -16.735 -5.499 -5.090 1.00 0.00 C ATOM 169 OE1 GLU A 11 -16.733 -6.664 -4.678 1.00 0.00 O ATOM 170 OE2 GLU A 11 -17.525 -5.125 -5.990 1.00 0.00 O ATOM 0 H GLU A 11 -12.266 -5.478 -2.579 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.239 -3.395 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.027 -5.587 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.572 -5.884 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.227 -4.080 -3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.643 -3.674 -5.188 1.00 0.00 H new ATOM 177 N LYS A 12 -13.391 -2.153 -2.233 1.00 0.00 N ATOM 178 CA LYS A 12 -13.728 -1.321 -1.136 1.00 0.00 C ATOM 179 C LYS A 12 -15.138 -0.746 -1.202 1.00 0.00 C ATOM 180 O LYS A 12 -15.802 -0.758 -2.242 1.00 0.00 O ATOM 181 CB LYS A 12 -12.669 -0.234 -0.928 1.00 0.00 C ATOM 182 CG LYS A 12 -11.835 -0.452 0.328 1.00 0.00 C ATOM 183 CD LYS A 12 -12.721 -0.238 1.558 1.00 0.00 C ATOM 184 CE LYS A 12 -12.019 -0.192 2.910 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.840 0.630 3.852 1.00 0.00 N ATOM 0 H LYS A 12 -12.722 -1.733 -2.878 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.733 -1.966 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.010 -0.205 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.160 0.738 -0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.420 -1.460 0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.993 0.240 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.266 0.697 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.462 -1.037 1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.890 -1.201 3.303 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.023 0.238 2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.425 0.585 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.856 1.618 3.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.811 0.259 3.880 1.00 0.00 H new ATOM 199 N ASP A 13 -15.551 -0.235 -0.066 1.00 0.00 N ATOM 200 CA ASP A 13 -16.854 0.314 0.166 1.00 0.00 C ATOM 201 C ASP A 13 -16.924 1.764 -0.279 1.00 0.00 C ATOM 202 O ASP A 13 -15.950 2.312 -0.820 1.00 0.00 O ATOM 203 CB ASP A 13 -17.216 0.171 1.655 1.00 0.00 C ATOM 204 CG ASP A 13 -16.159 0.722 2.591 1.00 0.00 C ATOM 205 OD1 ASP A 13 -16.144 1.933 2.834 1.00 0.00 O ATOM 206 OD2 ASP A 13 -15.299 -0.076 3.100 1.00 0.00 O ATOM 0 H ASP A 13 -14.952 -0.192 0.759 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.581 -0.240 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -18.159 0.685 1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.377 -0.883 1.882 1.00 0.00 H new ATOM 211 N GLU A 14 -18.050 2.404 -0.023 1.00 0.00 N ATOM 212 CA GLU A 14 -18.290 3.742 -0.533 1.00 0.00 C ATOM 213 C GLU A 14 -17.578 4.834 0.254 1.00 0.00 C ATOM 214 O GLU A 14 -17.553 5.998 -0.171 1.00 0.00 O ATOM 215 CB GLU A 14 -19.777 4.036 -0.668 1.00 0.00 C ATOM 216 CG GLU A 14 -20.565 4.062 0.626 1.00 0.00 C ATOM 217 CD GLU A 14 -22.014 4.399 0.378 1.00 0.00 C ATOM 218 OE1 GLU A 14 -22.302 5.528 -0.063 1.00 0.00 O ATOM 219 OE2 GLU A 14 -22.890 3.538 0.618 1.00 0.00 O ATOM 0 H GLU A 14 -18.813 2.020 0.535 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.850 3.756 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.894 5.001 -1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.218 3.286 -1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.494 3.092 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.130 4.795 1.305 1.00 0.00 H new ATOM 226 N ASP A 15 -17.002 4.489 1.379 1.00 0.00 N ATOM 227 CA ASP A 15 -16.235 5.467 2.143 1.00 0.00 C ATOM 228 C ASP A 15 -14.891 5.648 1.492 1.00 0.00 C ATOM 229 O ASP A 15 -14.434 6.769 1.245 1.00 0.00 O ATOM 230 CB ASP A 15 -16.045 5.033 3.601 1.00 0.00 C ATOM 231 CG ASP A 15 -15.154 5.984 4.386 1.00 0.00 C ATOM 232 OD1 ASP A 15 -15.677 6.968 4.976 1.00 0.00 O ATOM 233 OD2 ASP A 15 -13.926 5.758 4.458 1.00 0.00 O ATOM 0 H ASP A 15 -17.042 3.556 1.789 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.789 6.406 2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.019 4.970 4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.612 4.033 3.625 1.00 0.00 H new ATOM 238 N GLY A 16 -14.301 4.549 1.154 1.00 0.00 N ATOM 239 CA GLY A 16 -12.997 4.549 0.587 1.00 0.00 C ATOM 240 C GLY A 16 -12.147 3.614 1.360 1.00 0.00 C ATOM 241 O GLY A 16 -12.686 2.766 2.076 1.00 0.00 O ATOM 0 H GLY A 16 -14.713 3.623 1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.039 4.246 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.574 5.553 0.611 1.00 0.00 H new ATOM 245 N LEU A 17 -10.851 3.747 1.271 1.00 0.00 N ATOM 246 CA LEU A 17 -9.980 2.806 1.946 1.00 0.00 C ATOM 247 C LEU A 17 -9.965 3.099 3.411 1.00 0.00 C ATOM 248 O LEU A 17 -10.166 2.202 4.238 1.00 0.00 O ATOM 249 CB LEU A 17 -8.541 2.875 1.448 1.00 0.00 C ATOM 250 CG LEU A 17 -8.328 3.005 -0.036 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.859 2.907 -0.355 1.00 0.00 C ATOM 252 CD2 LEU A 17 -9.138 2.003 -0.835 1.00 0.00 C ATOM 0 H LEU A 17 -10.375 4.483 0.749 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.374 1.812 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.057 3.722 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.024 1.976 1.785 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.690 3.988 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.713 3.002 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.322 3.706 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.478 1.942 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.944 2.144 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.854 0.991 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.199 2.152 -0.637 1.00 0.00 H new ATOM 264 N GLY A 18 -9.722 4.360 3.719 1.00 0.00 N ATOM 265 CA GLY A 18 -9.595 4.792 5.079 1.00 0.00 C ATOM 266 C GLY A 18 -8.349 4.222 5.697 1.00 0.00 C ATOM 267 O GLY A 18 -8.290 3.975 6.902 1.00 0.00 O ATOM 0 H GLY A 18 -9.609 5.103 3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.563 5.881 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.468 4.477 5.650 1.00 0.00 H new ATOM 271 N ILE A 19 -7.352 3.961 4.865 1.00 0.00 N ATOM 272 CA ILE A 19 -6.126 3.388 5.364 1.00 0.00 C ATOM 273 C ILE A 19 -5.077 4.469 5.539 1.00 0.00 C ATOM 274 O ILE A 19 -5.276 5.608 5.100 1.00 0.00 O ATOM 275 CB ILE A 19 -5.581 2.226 4.482 1.00 0.00 C ATOM 276 CG1 ILE A 19 -4.983 2.732 3.173 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.701 1.237 4.179 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.321 1.631 2.365 1.00 0.00 C ATOM 0 H ILE A 19 -7.372 4.135 3.860 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.359 2.946 6.333 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.787 1.734 5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.768 3.194 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.249 3.508 3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.314 0.426 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.088 0.829 5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.503 1.748 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.914 2.050 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.515 1.185 2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.058 0.866 2.120 1.00 0.00 H new ATOM 290 N SER A 20 -3.981 4.121 6.153 1.00 0.00 N ATOM 291 CA SER A 20 -2.933 5.064 6.431 1.00 0.00 C ATOM 292 C SER A 20 -1.599 4.457 6.038 1.00 0.00 C ATOM 293 O SER A 20 -1.418 3.234 6.116 1.00 0.00 O ATOM 294 CB SER A 20 -2.940 5.409 7.928 1.00 0.00 C ATOM 295 OG SER A 20 -4.232 5.827 8.363 1.00 0.00 O ATOM 0 H SER A 20 -3.788 3.173 6.476 1.00 0.00 H new ATOM 0 HA SER A 20 -3.093 5.977 5.858 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.625 4.539 8.504 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.216 6.200 8.123 1.00 0.00 H new ATOM 0 HG SER A 20 -4.203 6.037 9.320 1.00 0.00 H new ATOM 301 N ILE A 21 -0.691 5.287 5.619 1.00 0.00 N ATOM 302 CA ILE A 21 0.637 4.878 5.226 1.00 0.00 C ATOM 303 C ILE A 21 1.640 5.488 6.181 1.00 0.00 C ATOM 304 O ILE A 21 1.310 6.443 6.902 1.00 0.00 O ATOM 305 CB ILE A 21 0.952 5.340 3.772 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.903 6.877 3.627 1.00 0.00 C ATOM 307 CG2 ILE A 21 0.019 4.679 2.775 1.00 0.00 C ATOM 308 CD1 ILE A 21 2.235 7.585 3.839 1.00 0.00 C ATOM 0 H ILE A 21 -0.850 6.291 5.537 1.00 0.00 H new ATOM 0 HA ILE A 21 0.697 3.790 5.259 1.00 0.00 H new ATOM 0 HB ILE A 21 1.972 5.024 3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.533 7.122 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.181 7.272 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.262 5.020 1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.136 3.597 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.012 4.945 3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.099 8.660 3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.601 7.378 4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.959 7.225 3.108 1.00 0.00 H new ATOM 320 N ILE A 22 2.825 4.953 6.218 1.00 0.00 N ATOM 321 CA ILE A 22 3.865 5.537 7.013 1.00 0.00 C ATOM 322 C ILE A 22 5.114 5.723 6.173 1.00 0.00 C ATOM 323 O ILE A 22 5.514 4.811 5.436 1.00 0.00 O ATOM 324 CB ILE A 22 4.148 4.747 8.324 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.202 5.457 9.198 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.523 3.304 8.049 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.457 4.799 10.541 1.00 0.00 C ATOM 0 H ILE A 22 3.096 4.113 5.707 1.00 0.00 H new ATOM 0 HA ILE A 22 3.519 6.517 7.342 1.00 0.00 H new ATOM 0 HB ILE A 22 3.218 4.727 8.892 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.141 5.502 8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.882 6.485 9.367 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.712 2.791 8.992 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.706 2.809 7.524 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.422 3.273 7.433 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.211 5.366 11.087 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.532 4.778 11.117 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.811 3.780 10.385 1.00 0.00 H new ATOM 339 N GLY A 23 5.692 6.906 6.243 1.00 0.00 N ATOM 340 CA GLY A 23 6.854 7.210 5.452 1.00 0.00 C ATOM 341 C GLY A 23 8.124 6.885 6.169 1.00 0.00 C ATOM 342 O GLY A 23 8.600 7.663 6.985 1.00 0.00 O ATOM 0 H GLY A 23 5.372 7.668 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.812 6.650 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.847 8.268 5.190 1.00 0.00 H new ATOM 346 N MET A 24 8.654 5.735 5.878 1.00 0.00 N ATOM 347 CA MET A 24 9.896 5.268 6.470 1.00 0.00 C ATOM 348 C MET A 24 10.952 5.233 5.393 1.00 0.00 C ATOM 349 O MET A 24 10.719 5.679 4.273 1.00 0.00 O ATOM 350 CB MET A 24 9.720 3.845 7.050 1.00 0.00 C ATOM 351 CG MET A 24 8.683 3.719 8.160 1.00 0.00 C ATOM 352 SD MET A 24 9.126 4.634 9.648 1.00 0.00 S ATOM 353 CE MET A 24 10.604 3.752 10.156 1.00 0.00 C ATOM 0 H MET A 24 8.240 5.078 5.216 1.00 0.00 H new ATOM 0 HA MET A 24 10.187 5.940 7.277 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.444 3.171 6.239 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.682 3.505 7.433 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.721 4.077 7.793 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.556 2.666 8.412 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.798 3.944 11.211 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.460 2.683 10.002 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.453 4.093 9.564 1.00 0.00 H new ATOM 363 N GLY A 25 12.093 4.759 5.736 1.00 0.00 N ATOM 364 CA GLY A 25 13.147 4.552 4.784 1.00 0.00 C ATOM 365 C GLY A 25 13.856 3.275 5.114 1.00 0.00 C ATOM 366 O GLY A 25 14.829 3.277 5.862 1.00 0.00 O ATOM 0 H GLY A 25 12.335 4.498 6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.739 4.506 3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.846 5.388 4.808 1.00 0.00 H new ATOM 370 N VAL A 26 13.346 2.180 4.607 1.00 0.00 N ATOM 371 CA VAL A 26 13.887 0.888 4.941 1.00 0.00 C ATOM 372 C VAL A 26 14.999 0.474 3.982 1.00 0.00 C ATOM 373 O VAL A 26 14.820 0.431 2.755 1.00 0.00 O ATOM 374 CB VAL A 26 12.779 -0.220 5.052 1.00 0.00 C ATOM 375 CG1 VAL A 26 12.024 -0.421 3.745 1.00 0.00 C ATOM 376 CG2 VAL A 26 13.364 -1.538 5.551 1.00 0.00 C ATOM 0 H VAL A 26 12.557 2.159 3.961 1.00 0.00 H new ATOM 0 HA VAL A 26 14.329 0.988 5.932 1.00 0.00 H new ATOM 0 HB VAL A 26 12.056 0.134 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.270 -1.197 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.538 0.512 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.722 -0.722 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.573 -2.285 5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.131 -1.882 4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.807 -1.390 6.536 1.00 0.00 H new ATOM 386 N GLY A 27 16.161 0.258 4.549 1.00 0.00 N ATOM 387 CA GLY A 27 17.289 -0.228 3.812 1.00 0.00 C ATOM 388 C GLY A 27 17.869 0.776 2.850 1.00 0.00 C ATOM 389 O GLY A 27 18.605 0.403 1.932 1.00 0.00 O ATOM 0 H GLY A 27 16.346 0.417 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 27 18.065 -0.534 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.992 -1.118 3.257 1.00 0.00 H new ATOM 393 N ALA A 28 17.587 2.039 3.079 1.00 0.00 N ATOM 394 CA ALA A 28 18.049 3.115 2.217 1.00 0.00 C ATOM 395 C ALA A 28 19.566 3.197 2.233 1.00 0.00 C ATOM 396 O ALA A 28 20.209 3.374 1.202 1.00 0.00 O ATOM 397 CB ALA A 28 17.433 4.436 2.650 1.00 0.00 C ATOM 0 H ALA A 28 17.028 2.355 3.872 1.00 0.00 H new ATOM 0 HA ALA A 28 17.732 2.905 1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.787 5.234 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.347 4.369 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.723 4.653 3.678 1.00 0.00 H new ATOM 403 N ASP A 29 20.130 3.006 3.392 1.00 0.00 N ATOM 404 CA ASP A 29 21.574 3.067 3.552 1.00 0.00 C ATOM 405 C ASP A 29 22.109 1.709 3.924 1.00 0.00 C ATOM 406 O ASP A 29 23.266 1.566 4.289 1.00 0.00 O ATOM 407 CB ASP A 29 21.978 4.095 4.622 1.00 0.00 C ATOM 408 CG ASP A 29 21.578 5.508 4.268 1.00 0.00 C ATOM 409 OD1 ASP A 29 22.262 6.150 3.453 1.00 0.00 O ATOM 410 OD2 ASP A 29 20.560 6.011 4.807 1.00 0.00 O ATOM 0 H ASP A 29 19.617 2.805 4.251 1.00 0.00 H new ATOM 0 HA ASP A 29 22.003 3.381 2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.519 3.821 5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 29 23.058 4.055 4.766 1.00 0.00 H new ATOM 415 N ALA A 30 21.270 0.702 3.794 1.00 0.00 N ATOM 416 CA ALA A 30 21.645 -0.647 4.190 1.00 0.00 C ATOM 417 C ALA A 30 21.848 -1.568 2.991 1.00 0.00 C ATOM 418 O ALA A 30 22.030 -2.775 3.146 1.00 0.00 O ATOM 419 CB ALA A 30 20.622 -1.229 5.152 1.00 0.00 C ATOM 0 H ALA A 30 20.325 0.788 3.419 1.00 0.00 H new ATOM 0 HA ALA A 30 22.605 -0.575 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 30 20.922 -2.238 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 30 20.564 -0.604 6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 30 19.646 -1.263 4.668 1.00 0.00 H new ATOM 425 N GLY A 31 21.814 -1.005 1.799 1.00 0.00 N ATOM 426 CA GLY A 31 22.059 -1.803 0.618 1.00 0.00 C ATOM 427 C GLY A 31 20.804 -2.224 -0.117 1.00 0.00 C ATOM 428 O GLY A 31 20.862 -3.074 -1.011 1.00 0.00 O ATOM 0 H GLY A 31 21.623 -0.018 1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 31 22.694 -1.237 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 31 22.615 -2.695 0.905 1.00 0.00 H new ATOM 432 N LEU A 32 19.678 -1.650 0.234 1.00 0.00 N ATOM 433 CA LEU A 32 18.432 -2.012 -0.418 1.00 0.00 C ATOM 434 C LEU A 32 17.962 -0.906 -1.342 1.00 0.00 C ATOM 435 O LEU A 32 17.904 -1.090 -2.560 1.00 0.00 O ATOM 436 CB LEU A 32 17.300 -2.340 0.593 1.00 0.00 C ATOM 437 CG LEU A 32 17.402 -3.632 1.439 1.00 0.00 C ATOM 438 CD1 LEU A 32 18.572 -3.606 2.414 1.00 0.00 C ATOM 439 CD2 LEU A 32 16.101 -3.857 2.188 1.00 0.00 C ATOM 0 H LEU A 32 19.593 -0.937 0.959 1.00 0.00 H new ATOM 0 HA LEU A 32 18.644 -2.913 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 32 17.221 -1.500 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 32 16.364 -2.384 0.036 1.00 0.00 H new ATOM 0 HG LEU A 32 17.584 -4.457 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 32 18.594 -4.537 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 32 19.504 -3.495 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 32 18.456 -2.767 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.176 -4.767 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.908 -3.009 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.283 -3.956 1.475 1.00 0.00 H new ATOM 451 N GLU A 33 17.675 0.246 -0.745 1.00 0.00 N ATOM 452 CA GLU A 33 17.063 1.385 -1.417 1.00 0.00 C ATOM 453 C GLU A 33 15.742 1.024 -2.044 1.00 0.00 C ATOM 454 O GLU A 33 15.659 0.650 -3.229 1.00 0.00 O ATOM 455 CB GLU A 33 17.962 2.096 -2.416 1.00 0.00 C ATOM 456 CG GLU A 33 19.130 2.802 -1.793 1.00 0.00 C ATOM 457 CD GLU A 33 19.809 3.694 -2.771 1.00 0.00 C ATOM 458 OE1 GLU A 33 19.380 4.849 -2.925 1.00 0.00 O ATOM 459 OE2 GLU A 33 20.777 3.272 -3.408 1.00 0.00 O ATOM 0 H GLU A 33 17.866 0.417 0.242 1.00 0.00 H new ATOM 0 HA GLU A 33 16.888 2.107 -0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 33 18.333 1.368 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.367 2.821 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.790 3.388 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.841 2.068 -1.413 1.00 0.00 H new ATOM 466 N LYS A 34 14.728 1.082 -1.250 1.00 0.00 N ATOM 467 CA LYS A 34 13.416 0.805 -1.694 1.00 0.00 C ATOM 468 C LYS A 34 12.515 1.743 -0.951 1.00 0.00 C ATOM 469 O LYS A 34 12.978 2.484 -0.075 1.00 0.00 O ATOM 470 CB LYS A 34 13.042 -0.680 -1.416 1.00 0.00 C ATOM 471 CG LYS A 34 12.558 -0.985 0.008 1.00 0.00 C ATOM 472 CD LYS A 34 12.667 -2.466 0.352 1.00 0.00 C ATOM 473 CE LYS A 34 11.812 -3.324 -0.558 1.00 0.00 C ATOM 474 NZ LYS A 34 11.963 -4.757 -0.262 1.00 0.00 N ATOM 0 H LYS A 34 14.794 1.327 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 34 13.321 0.948 -2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.262 -0.977 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.913 -1.301 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.144 -0.405 0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.521 -0.665 0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.708 -2.781 0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.363 -2.621 1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.766 -3.039 -0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.086 -3.137 -1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.124 -5.271 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.809 -5.123 -0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.063 -4.891 0.765 1.00 0.00 H new ATOM 488 N LEU A 35 11.275 1.722 -1.301 1.00 0.00 N ATOM 489 CA LEU A 35 10.258 2.504 -0.655 1.00 0.00 C ATOM 490 C LEU A 35 10.210 2.206 0.848 1.00 0.00 C ATOM 491 O LEU A 35 10.421 1.069 1.286 1.00 0.00 O ATOM 492 CB LEU A 35 8.891 2.151 -1.219 1.00 0.00 C ATOM 493 CG LEU A 35 8.404 0.717 -0.929 1.00 0.00 C ATOM 494 CD1 LEU A 35 6.952 0.637 -1.098 1.00 0.00 C ATOM 495 CD2 LEU A 35 9.064 -0.319 -1.822 1.00 0.00 C ATOM 0 H LEU A 35 10.923 1.146 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 35 10.498 3.553 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.160 2.853 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.914 2.297 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 35 8.683 0.494 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.617 -0.379 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.467 1.327 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.690 0.904 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.683 -1.310 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.840 -0.096 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.143 -0.296 -1.669 1.00 0.00 H new ATOM 507 N GLY A 36 9.922 3.192 1.611 1.00 0.00 N ATOM 508 CA GLY A 36 9.753 2.994 3.004 1.00 0.00 C ATOM 509 C GLY A 36 8.318 3.170 3.392 1.00 0.00 C ATOM 510 O GLY A 36 8.006 3.377 4.545 1.00 0.00 O ATOM 0 H GLY A 36 9.797 4.153 1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.089 1.994 3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.373 3.701 3.555 1.00 0.00 H new ATOM 514 N ILE A 37 7.441 3.081 2.434 1.00 0.00 N ATOM 515 CA ILE A 37 6.043 3.288 2.701 1.00 0.00 C ATOM 516 C ILE A 37 5.401 2.008 3.167 1.00 0.00 C ATOM 517 O ILE A 37 5.167 1.093 2.393 1.00 0.00 O ATOM 518 CB ILE A 37 5.277 3.832 1.484 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.950 5.112 0.960 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.823 4.109 1.882 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.915 6.272 1.914 1.00 0.00 C ATOM 0 H ILE A 37 7.666 2.867 1.462 1.00 0.00 H new ATOM 0 HA ILE A 37 5.987 4.041 3.487 1.00 0.00 H new ATOM 0 HB ILE A 37 5.291 3.091 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.989 4.888 0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.464 5.408 0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.277 4.495 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.357 3.185 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.800 4.845 2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.412 7.130 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.879 6.528 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.428 6.000 2.836 1.00 0.00 H new ATOM 533 N PHE A 38 5.161 1.935 4.423 1.00 0.00 N ATOM 534 CA PHE A 38 4.518 0.791 4.993 1.00 0.00 C ATOM 535 C PHE A 38 3.082 1.103 5.248 1.00 0.00 C ATOM 536 O PHE A 38 2.689 2.280 5.254 1.00 0.00 O ATOM 537 CB PHE A 38 5.193 0.378 6.291 1.00 0.00 C ATOM 538 CG PHE A 38 6.583 -0.149 6.126 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.788 -1.480 5.840 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.678 0.676 6.277 1.00 0.00 C ATOM 541 CE1 PHE A 38 8.058 -1.985 5.709 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.957 0.182 6.142 1.00 0.00 C ATOM 543 CZ PHE A 38 9.146 -1.153 5.861 1.00 0.00 C ATOM 0 H PHE A 38 5.402 2.664 5.094 1.00 0.00 H new ATOM 0 HA PHE A 38 4.596 -0.037 4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.221 1.237 6.961 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.584 -0.385 6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.939 -2.136 5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.531 1.722 6.504 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.204 -3.032 5.487 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.807 0.838 6.256 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.146 -1.548 5.760 1.00 0.00 H new ATOM 553 N VAL A 39 2.293 0.081 5.445 1.00 0.00 N ATOM 554 CA VAL A 39 0.919 0.275 5.789 1.00 0.00 C ATOM 555 C VAL A 39 0.880 0.649 7.258 1.00 0.00 C ATOM 556 O VAL A 39 1.319 -0.112 8.110 1.00 0.00 O ATOM 557 CB VAL A 39 0.065 -0.999 5.534 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.402 -0.734 5.835 1.00 0.00 C ATOM 559 CG2 VAL A 39 0.231 -1.477 4.100 1.00 0.00 C ATOM 0 H VAL A 39 2.583 -0.894 5.372 1.00 0.00 H new ATOM 0 HA VAL A 39 0.492 1.059 5.164 1.00 0.00 H new ATOM 0 HB VAL A 39 0.418 -1.783 6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.981 -1.639 5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.512 -0.440 6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.766 0.068 5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.374 -2.369 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.092 -0.693 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.279 -1.712 3.914 1.00 0.00 H new ATOM 569 N LYS A 40 0.431 1.832 7.540 1.00 0.00 N ATOM 570 CA LYS A 40 0.389 2.330 8.894 1.00 0.00 C ATOM 571 C LYS A 40 -0.864 1.832 9.573 1.00 0.00 C ATOM 572 O LYS A 40 -0.854 1.482 10.750 1.00 0.00 O ATOM 573 CB LYS A 40 0.438 3.872 8.887 1.00 0.00 C ATOM 574 CG LYS A 40 0.302 4.623 10.239 1.00 0.00 C ATOM 575 CD LYS A 40 1.498 4.482 11.210 1.00 0.00 C ATOM 576 CE LYS A 40 1.578 3.122 11.875 1.00 0.00 C ATOM 577 NZ LYS A 40 2.629 3.057 12.911 1.00 0.00 N ATOM 0 H LYS A 40 0.081 2.487 6.841 1.00 0.00 H new ATOM 0 HA LYS A 40 1.254 1.965 9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.383 4.172 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.356 4.226 8.230 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.150 5.682 10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.596 4.265 10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.423 4.666 10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.424 5.250 11.979 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.614 2.885 12.325 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.772 2.362 11.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.641 2.107 13.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.554 3.256 12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.432 3.762 13.650 1.00 0.00 H new ATOM 591 N THR A 41 -1.933 1.805 8.838 1.00 0.00 N ATOM 592 CA THR A 41 -3.202 1.360 9.341 1.00 0.00 C ATOM 593 C THR A 41 -4.015 0.941 8.137 1.00 0.00 C ATOM 594 O THR A 41 -3.746 1.406 7.019 1.00 0.00 O ATOM 595 CB THR A 41 -3.964 2.515 9.985 1.00 0.00 C ATOM 596 OG1 THR A 41 -3.064 3.427 10.638 1.00 0.00 O ATOM 597 CG2 THR A 41 -4.967 2.021 11.003 1.00 0.00 C ATOM 0 H THR A 41 -1.952 2.094 7.860 1.00 0.00 H new ATOM 0 HA THR A 41 -3.048 0.565 10.071 1.00 0.00 H new ATOM 0 HB THR A 41 -4.491 3.028 9.180 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.576 4.159 11.041 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.490 2.871 11.440 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.687 1.364 10.515 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.448 1.471 11.788 1.00 0.00 H new ATOM 605 N VAL A 42 -4.991 0.126 8.340 1.00 0.00 N ATOM 606 CA VAL A 42 -5.842 -0.298 7.276 1.00 0.00 C ATOM 607 C VAL A 42 -7.304 -0.310 7.700 1.00 0.00 C ATOM 608 O VAL A 42 -7.772 -1.233 8.335 1.00 0.00 O ATOM 609 CB VAL A 42 -5.407 -1.645 6.621 1.00 0.00 C ATOM 610 CG1 VAL A 42 -5.249 -2.717 7.660 1.00 0.00 C ATOM 611 CG2 VAL A 42 -6.411 -2.074 5.560 1.00 0.00 C ATOM 0 H VAL A 42 -5.225 -0.269 9.251 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.731 0.449 6.490 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.441 -1.492 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.945 -3.647 7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.489 -2.416 8.381 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.198 -2.867 8.175 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.090 -3.016 5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.391 -2.205 6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.472 -1.309 4.786 1.00 0.00 H new ATOM 621 N THR A 43 -7.979 0.768 7.340 1.00 0.00 N ATOM 622 CA THR A 43 -9.415 1.043 7.569 1.00 0.00 C ATOM 623 C THR A 43 -9.865 0.868 9.056 1.00 0.00 C ATOM 624 O THR A 43 -9.129 0.379 9.908 1.00 0.00 O ATOM 625 CB THR A 43 -10.347 0.240 6.544 1.00 0.00 C ATOM 626 OG1 THR A 43 -11.715 0.700 6.557 1.00 0.00 O ATOM 627 CG2 THR A 43 -10.366 -1.241 6.812 1.00 0.00 C ATOM 0 H THR A 43 -7.522 1.534 6.846 1.00 0.00 H new ATOM 0 HA THR A 43 -9.548 2.105 7.361 1.00 0.00 H new ATOM 0 HB THR A 43 -9.901 0.433 5.568 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.744 1.648 6.311 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.014 -1.734 6.087 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.355 -1.639 6.725 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.743 -1.424 7.818 1.00 0.00 H new ATOM 635 N GLU A 44 -11.061 1.324 9.359 1.00 0.00 N ATOM 636 CA GLU A 44 -11.647 1.109 10.649 1.00 0.00 C ATOM 637 C GLU A 44 -12.068 -0.350 10.742 1.00 0.00 C ATOM 638 O GLU A 44 -12.099 -0.954 11.810 1.00 0.00 O ATOM 639 CB GLU A 44 -12.864 2.001 10.812 1.00 0.00 C ATOM 640 CG GLU A 44 -13.928 1.755 9.769 1.00 0.00 C ATOM 641 CD GLU A 44 -15.222 2.421 10.096 1.00 0.00 C ATOM 642 OE1 GLU A 44 -16.031 1.823 10.822 1.00 0.00 O ATOM 643 OE2 GLU A 44 -15.457 3.540 9.636 1.00 0.00 O ATOM 0 H GLU A 44 -11.648 1.853 8.714 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.929 1.346 11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.292 1.843 11.802 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.551 3.044 10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.573 2.114 8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.092 0.682 9.669 1.00 0.00 H new ATOM 650 N GLY A 45 -12.378 -0.892 9.590 1.00 0.00 N ATOM 651 CA GLY A 45 -12.797 -2.239 9.476 1.00 0.00 C ATOM 652 C GLY A 45 -13.846 -2.389 8.431 1.00 0.00 C ATOM 653 O GLY A 45 -14.786 -3.153 8.593 1.00 0.00 O ATOM 0 H GLY A 45 -12.341 -0.391 8.702 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.942 -2.869 9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.183 -2.585 10.435 1.00 0.00 H new ATOM 657 N GLY A 46 -13.693 -1.642 7.340 1.00 0.00 N ATOM 658 CA GLY A 46 -14.571 -1.788 6.247 1.00 0.00 C ATOM 659 C GLY A 46 -14.094 -2.910 5.374 1.00 0.00 C ATOM 660 O GLY A 46 -13.328 -3.785 5.830 1.00 0.00 O ATOM 0 H GLY A 46 -12.964 -0.940 7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.581 -1.992 6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.616 -0.861 5.675 1.00 0.00 H new ATOM 664 N ALA A 47 -14.395 -2.817 4.119 1.00 0.00 N ATOM 665 CA ALA A 47 -14.144 -3.905 3.159 1.00 0.00 C ATOM 666 C ALA A 47 -12.657 -4.299 2.984 1.00 0.00 C ATOM 667 O ALA A 47 -12.364 -5.327 2.401 1.00 0.00 O ATOM 668 CB ALA A 47 -14.792 -3.603 1.826 1.00 0.00 C ATOM 0 H ALA A 47 -14.825 -1.990 3.704 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.610 -4.786 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.594 -4.420 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.868 -3.494 1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.381 -2.677 1.423 1.00 0.00 H new ATOM 674 N ALA A 48 -11.736 -3.506 3.527 1.00 0.00 N ATOM 675 CA ALA A 48 -10.305 -3.810 3.417 1.00 0.00 C ATOM 676 C ALA A 48 -9.921 -4.854 4.451 1.00 0.00 C ATOM 677 O ALA A 48 -9.429 -5.910 4.110 1.00 0.00 O ATOM 678 CB ALA A 48 -9.457 -2.556 3.555 1.00 0.00 C ATOM 0 H ALA A 48 -11.949 -2.653 4.045 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.112 -4.215 2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.403 -2.818 3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.721 -1.850 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.639 -2.099 4.528 1.00 0.00 H new ATOM 684 N GLN A 49 -10.157 -4.555 5.727 1.00 0.00 N ATOM 685 CA GLN A 49 -9.947 -5.569 6.767 1.00 0.00 C ATOM 686 C GLN A 49 -10.881 -6.765 6.595 1.00 0.00 C ATOM 687 O GLN A 49 -10.527 -7.881 6.954 1.00 0.00 O ATOM 688 CB GLN A 49 -10.048 -5.004 8.179 1.00 0.00 C ATOM 689 CG GLN A 49 -8.874 -4.140 8.574 1.00 0.00 C ATOM 690 CD GLN A 49 -8.900 -3.767 10.036 1.00 0.00 C ATOM 691 OE1 GLN A 49 -8.358 -4.474 10.872 1.00 0.00 O ATOM 692 NE2 GLN A 49 -9.483 -2.657 10.353 1.00 0.00 N ATOM 0 H GLN A 49 -10.484 -3.649 6.063 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.922 -5.917 6.636 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.963 -4.417 8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.134 -5.829 8.886 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.947 -4.669 8.353 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.875 -3.232 7.970 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.926 -2.089 9.631 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.499 -2.349 11.325 1.00 0.00 H new ATOM 701 N ARG A 50 -12.071 -6.532 6.032 1.00 0.00 N ATOM 702 CA ARG A 50 -13.001 -7.627 5.767 1.00 0.00 C ATOM 703 C ARG A 50 -12.450 -8.559 4.700 1.00 0.00 C ATOM 704 O ARG A 50 -12.684 -9.769 4.741 1.00 0.00 O ATOM 705 CB ARG A 50 -14.363 -7.116 5.344 1.00 0.00 C ATOM 706 CG ARG A 50 -15.061 -6.309 6.409 1.00 0.00 C ATOM 707 CD ARG A 50 -15.379 -7.123 7.647 1.00 0.00 C ATOM 708 NE ARG A 50 -16.252 -8.267 7.367 1.00 0.00 N ATOM 709 CZ ARG A 50 -16.338 -9.356 8.143 1.00 0.00 C ATOM 710 NH1 ARG A 50 -15.607 -9.443 9.262 1.00 0.00 N ATOM 711 NH2 ARG A 50 -17.163 -10.349 7.813 1.00 0.00 N ATOM 0 H ARG A 50 -12.407 -5.609 5.756 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.118 -8.179 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.250 -6.502 4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.992 -7.964 5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.433 -5.463 6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.985 -5.900 6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.449 -7.481 8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.857 -6.480 8.386 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.831 -8.232 6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.984 -8.680 9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.674 -10.273 9.852 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.731 -10.281 6.968 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.227 -11.177 8.405 1.00 0.00 H new ATOM 725 N ASP A 51 -11.727 -7.977 3.738 1.00 0.00 N ATOM 726 CA ASP A 51 -11.061 -8.742 2.671 1.00 0.00 C ATOM 727 C ASP A 51 -10.123 -9.790 3.263 1.00 0.00 C ATOM 728 O ASP A 51 -10.172 -10.976 2.896 1.00 0.00 O ATOM 729 CB ASP A 51 -10.287 -7.803 1.749 1.00 0.00 C ATOM 730 CG ASP A 51 -9.416 -8.530 0.766 1.00 0.00 C ATOM 731 OD1 ASP A 51 -9.914 -8.933 -0.321 1.00 0.00 O ATOM 732 OD2 ASP A 51 -8.240 -8.729 1.068 1.00 0.00 O ATOM 0 H ASP A 51 -11.585 -6.969 3.674 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.827 -9.255 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.992 -7.174 1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.668 -7.139 2.353 1.00 0.00 H new ATOM 737 N GLY A 52 -9.257 -9.346 4.144 1.00 0.00 N ATOM 738 CA GLY A 52 -8.405 -10.253 4.880 1.00 0.00 C ATOM 739 C GLY A 52 -7.136 -10.667 4.158 1.00 0.00 C ATOM 740 O GLY A 52 -6.285 -11.348 4.744 1.00 0.00 O ATOM 0 H GLY A 52 -9.123 -8.360 4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.131 -9.784 5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.976 -11.149 5.122 1.00 0.00 H new ATOM 744 N ARG A 53 -6.987 -10.299 2.906 1.00 0.00 N ATOM 745 CA ARG A 53 -5.786 -10.655 2.186 1.00 0.00 C ATOM 746 C ARG A 53 -4.757 -9.567 2.475 1.00 0.00 C ATOM 747 O ARG A 53 -3.582 -9.857 2.753 1.00 0.00 O ATOM 748 CB ARG A 53 -6.076 -10.779 0.665 1.00 0.00 C ATOM 749 CG ARG A 53 -5.078 -11.609 -0.153 1.00 0.00 C ATOM 750 CD ARG A 53 -3.665 -11.066 -0.106 1.00 0.00 C ATOM 751 NE ARG A 53 -2.741 -11.881 -0.881 1.00 0.00 N ATOM 752 CZ ARG A 53 -1.515 -12.252 -0.484 1.00 0.00 C ATOM 753 NH1 ARG A 53 -1.041 -11.878 0.709 1.00 0.00 N ATOM 754 NH2 ARG A 53 -0.758 -12.979 -1.288 1.00 0.00 N ATOM 0 H ARG A 53 -7.670 -9.762 2.372 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.407 -11.625 2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.067 -11.216 0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.114 -9.775 0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.078 -12.634 0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.411 -11.646 -1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.656 -10.045 -0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.328 -11.022 0.930 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.051 -12.195 -1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.614 -11.304 1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.107 -12.166 1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.107 -13.255 -2.206 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.175 -13.264 -0.991 1.00 0.00 H new ATOM 768 N ILE A 54 -5.211 -8.328 2.428 1.00 0.00 N ATOM 769 CA ILE A 54 -4.361 -7.191 2.731 1.00 0.00 C ATOM 770 C ILE A 54 -4.231 -7.076 4.259 1.00 0.00 C ATOM 771 O ILE A 54 -5.128 -7.510 5.002 1.00 0.00 O ATOM 772 CB ILE A 54 -4.948 -5.860 2.146 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.899 -4.731 2.210 1.00 0.00 C ATOM 774 CG2 ILE A 54 -6.209 -5.453 2.916 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.340 -3.427 1.574 1.00 0.00 C ATOM 0 H ILE A 54 -6.170 -8.083 2.181 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.385 -7.348 2.272 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.212 -6.029 1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.647 -4.545 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.988 -5.071 1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.607 -4.527 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.958 -6.240 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.961 -5.301 3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.542 -2.690 1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.563 -3.593 0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.233 -3.059 2.080 1.00 0.00 H new ATOM 787 N GLN A 55 -3.141 -6.533 4.731 1.00 0.00 N ATOM 788 CA GLN A 55 -2.938 -6.398 6.147 1.00 0.00 C ATOM 789 C GLN A 55 -2.280 -5.064 6.453 1.00 0.00 C ATOM 790 O GLN A 55 -1.817 -4.365 5.554 1.00 0.00 O ATOM 791 CB GLN A 55 -2.021 -7.498 6.670 1.00 0.00 C ATOM 792 CG GLN A 55 -2.511 -8.928 6.499 1.00 0.00 C ATOM 793 CD GLN A 55 -1.434 -9.949 6.836 1.00 0.00 C ATOM 794 OE1 GLN A 55 -1.730 -11.036 7.341 1.00 0.00 O ATOM 795 NE2 GLN A 55 -0.201 -9.662 6.483 1.00 0.00 N ATOM 0 H GLN A 55 -2.379 -6.177 4.154 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.913 -6.467 6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.057 -7.405 6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.847 -7.321 7.731 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.378 -9.092 7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.841 -9.077 5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.013 -8.755 6.068 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.542 -10.346 6.624 1.00 0.00 H new ATOM 804 N VAL A 56 -2.209 -4.744 7.734 1.00 0.00 N ATOM 805 CA VAL A 56 -1.522 -3.550 8.218 1.00 0.00 C ATOM 806 C VAL A 56 -0.033 -3.861 8.339 1.00 0.00 C ATOM 807 O VAL A 56 0.811 -2.987 8.445 1.00 0.00 O ATOM 808 CB VAL A 56 -2.076 -3.123 9.621 1.00 0.00 C ATOM 809 CG1 VAL A 56 -1.729 -4.143 10.710 1.00 0.00 C ATOM 810 CG2 VAL A 56 -1.617 -1.726 10.006 1.00 0.00 C ATOM 0 H VAL A 56 -2.628 -5.306 8.475 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.688 -2.732 7.517 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.162 -3.099 9.536 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.132 -3.807 11.665 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.161 -5.110 10.454 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.646 -4.239 10.787 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.022 -1.467 10.984 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.528 -1.699 10.045 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.972 -1.009 9.265 1.00 0.00 H new ATOM 820 N ASN A 57 0.263 -5.122 8.238 1.00 0.00 N ATOM 821 CA ASN A 57 1.581 -5.641 8.486 1.00 0.00 C ATOM 822 C ASN A 57 2.427 -5.617 7.203 1.00 0.00 C ATOM 823 O ASN A 57 3.597 -6.016 7.189 1.00 0.00 O ATOM 824 CB ASN A 57 1.443 -7.078 9.014 1.00 0.00 C ATOM 825 CG ASN A 57 2.731 -7.693 9.535 1.00 0.00 C ATOM 826 OD1 ASN A 57 3.530 -6.924 10.220 1.00 0.00 O flip ATOM 827 ND2 ASN A 57 2.956 -8.895 9.382 1.00 0.00 N flip ATOM 0 H ASN A 57 -0.417 -5.836 7.976 1.00 0.00 H new ATOM 0 HA ASN A 57 2.088 -5.020 9.224 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.703 -7.086 9.815 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.054 -7.708 8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.311 -9.470 8.840 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.788 -9.315 9.797 1.00 0.00 H new ATOM 834 N ASP A 58 1.870 -5.093 6.156 1.00 0.00 N ATOM 835 CA ASP A 58 2.522 -5.127 4.867 1.00 0.00 C ATOM 836 C ASP A 58 3.012 -3.744 4.417 1.00 0.00 C ATOM 837 O ASP A 58 3.108 -2.804 5.231 1.00 0.00 O ATOM 838 CB ASP A 58 1.597 -5.774 3.840 1.00 0.00 C ATOM 839 CG ASP A 58 1.378 -7.251 4.108 1.00 0.00 C ATOM 840 OD1 ASP A 58 2.197 -8.070 3.663 1.00 0.00 O ATOM 841 OD2 ASP A 58 0.381 -7.611 4.776 1.00 0.00 O ATOM 0 H ASP A 58 0.960 -4.632 6.161 1.00 0.00 H new ATOM 0 HA ASP A 58 3.421 -5.737 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.636 -5.260 3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.020 -5.647 2.843 1.00 0.00 H new ATOM 846 N GLN A 59 3.356 -3.631 3.145 1.00 0.00 N ATOM 847 CA GLN A 59 3.914 -2.416 2.563 1.00 0.00 C ATOM 848 C GLN A 59 3.275 -2.107 1.196 1.00 0.00 C ATOM 849 O GLN A 59 3.228 -2.974 0.333 1.00 0.00 O ATOM 850 CB GLN A 59 5.433 -2.605 2.440 1.00 0.00 C ATOM 851 CG GLN A 59 6.128 -1.631 1.514 1.00 0.00 C ATOM 852 CD GLN A 59 7.630 -1.655 1.645 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.318 -2.433 0.995 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.152 -0.770 2.446 1.00 0.00 N ATOM 0 H GLN A 59 3.255 -4.393 2.474 1.00 0.00 H new ATOM 0 HA GLN A 59 3.698 -1.562 3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.876 -2.518 3.432 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.630 -3.618 2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.856 -1.862 0.484 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.768 -0.623 1.721 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.548 -0.138 2.972 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.165 -0.709 2.548 1.00 0.00 H new ATOM 863 N ILE A 60 2.796 -0.867 1.005 1.00 0.00 N ATOM 864 CA ILE A 60 2.155 -0.474 -0.256 1.00 0.00 C ATOM 865 C ILE A 60 3.216 -0.310 -1.331 1.00 0.00 C ATOM 866 O ILE A 60 3.966 0.642 -1.300 1.00 0.00 O ATOM 867 CB ILE A 60 1.409 0.888 -0.170 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.367 0.932 0.958 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.735 1.172 -1.502 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.729 -0.107 0.849 1.00 0.00 C ATOM 0 H ILE A 60 2.841 -0.125 1.704 1.00 0.00 H new ATOM 0 HA ILE A 60 1.435 -1.260 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 60 2.152 1.652 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.878 0.802 1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.090 1.922 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.210 2.126 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.488 1.216 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.023 0.378 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.417 0.001 1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.272 0.033 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.288 -1.104 0.867 1.00 0.00 H new ATOM 882 N VAL A 61 3.263 -1.214 -2.267 1.00 0.00 N ATOM 883 CA VAL A 61 4.269 -1.159 -3.319 1.00 0.00 C ATOM 884 C VAL A 61 3.725 -0.395 -4.544 1.00 0.00 C ATOM 885 O VAL A 61 4.345 0.539 -5.056 1.00 0.00 O ATOM 886 CB VAL A 61 4.711 -2.601 -3.701 1.00 0.00 C ATOM 887 CG1 VAL A 61 5.686 -2.633 -4.849 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.284 -3.325 -2.495 1.00 0.00 C ATOM 0 H VAL A 61 2.621 -2.004 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 61 5.143 -0.619 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 61 3.814 -3.121 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.956 -3.666 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.226 -2.184 -5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.582 -2.072 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.587 -4.331 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.150 -2.779 -2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.527 -3.385 -1.713 1.00 0.00 H new ATOM 898 N GLU A 62 2.563 -0.766 -4.978 1.00 0.00 N ATOM 899 CA GLU A 62 1.934 -0.146 -6.106 1.00 0.00 C ATOM 900 C GLU A 62 0.453 -0.138 -5.881 1.00 0.00 C ATOM 901 O GLU A 62 -0.125 -1.154 -5.542 1.00 0.00 O ATOM 902 CB GLU A 62 2.243 -0.931 -7.377 1.00 0.00 C ATOM 903 CG GLU A 62 1.563 -0.383 -8.610 1.00 0.00 C ATOM 904 CD GLU A 62 1.833 -1.195 -9.824 1.00 0.00 C ATOM 905 OE1 GLU A 62 3.002 -1.244 -10.255 1.00 0.00 O ATOM 906 OE2 GLU A 62 0.894 -1.787 -10.367 1.00 0.00 O ATOM 0 H GLU A 62 2.016 -1.516 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 62 2.309 0.871 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.321 -0.934 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.939 -1.968 -7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.487 -0.341 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.899 0.640 -8.780 1.00 0.00 H new ATOM 913 N VAL A 63 -0.150 0.998 -6.009 1.00 0.00 N ATOM 914 CA VAL A 63 -1.565 1.086 -5.918 1.00 0.00 C ATOM 915 C VAL A 63 -2.146 1.577 -7.206 1.00 0.00 C ATOM 916 O VAL A 63 -1.655 2.546 -7.778 1.00 0.00 O ATOM 917 CB VAL A 63 -2.040 1.921 -4.699 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.411 2.523 -4.944 1.00 0.00 C ATOM 919 CG2 VAL A 63 -2.117 1.007 -3.514 1.00 0.00 C ATOM 0 H VAL A 63 0.324 1.885 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.943 0.079 -5.743 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.336 2.736 -4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.715 3.102 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.371 3.175 -5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.133 1.725 -5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.449 1.570 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.825 0.204 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.133 0.581 -3.318 1.00 0.00 H new ATOM 929 N ASP A 64 -3.093 0.806 -7.717 1.00 0.00 N ATOM 930 CA ASP A 64 -3.917 1.131 -8.912 1.00 0.00 C ATOM 931 C ASP A 64 -3.134 1.035 -10.220 1.00 0.00 C ATOM 932 O ASP A 64 -3.701 0.923 -11.300 1.00 0.00 O ATOM 933 CB ASP A 64 -4.640 2.495 -8.748 1.00 0.00 C ATOM 934 CG ASP A 64 -5.593 2.853 -9.880 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.769 2.401 -9.860 1.00 0.00 O ATOM 936 OD2 ASP A 64 -5.209 3.629 -10.774 1.00 0.00 O ATOM 0 H ASP A 64 -3.331 -0.099 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.689 0.364 -8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.198 2.484 -7.812 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.889 3.280 -8.662 1.00 0.00 H new ATOM 941 N GLY A 65 -1.855 0.967 -10.082 1.00 0.00 N ATOM 942 CA GLY A 65 -0.951 0.952 -11.190 1.00 0.00 C ATOM 943 C GLY A 65 -0.154 2.229 -11.254 1.00 0.00 C ATOM 944 O GLY A 65 0.539 2.498 -12.231 1.00 0.00 O ATOM 0 H GLY A 65 -1.393 0.919 -9.174 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.275 0.101 -11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.509 0.820 -12.117 1.00 0.00 H new ATOM 948 N ILE A 66 -0.236 3.020 -10.186 1.00 0.00 N ATOM 949 CA ILE A 66 0.467 4.287 -10.124 1.00 0.00 C ATOM 950 C ILE A 66 1.974 4.061 -9.875 1.00 0.00 C ATOM 951 O ILE A 66 2.791 4.923 -10.161 1.00 0.00 O ATOM 952 CB ILE A 66 -0.139 5.213 -9.011 1.00 0.00 C ATOM 953 CG1 ILE A 66 0.095 6.677 -9.384 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.492 4.910 -7.643 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.575 7.661 -8.467 1.00 0.00 C ATOM 0 H ILE A 66 -0.784 2.800 -9.354 1.00 0.00 H new ATOM 0 HA ILE A 66 0.345 4.786 -11.085 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.210 5.021 -8.940 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.167 6.872 -9.387 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.262 6.843 -10.400 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.056 5.564 -6.888 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.301 3.871 -7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.568 5.080 -7.693 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.359 8.676 -8.802 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.652 7.496 -8.481 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.200 7.526 -7.452 1.00 0.00 H new ATOM 967 N SER A 67 2.291 2.853 -9.389 1.00 0.00 N ATOM 968 CA SER A 67 3.621 2.430 -9.003 1.00 0.00 C ATOM 969 C SER A 67 4.295 3.458 -8.089 1.00 0.00 C ATOM 970 O SER A 67 4.995 4.360 -8.533 1.00 0.00 O ATOM 971 CB SER A 67 4.430 2.141 -10.235 1.00 0.00 C ATOM 972 OG SER A 67 3.784 1.176 -11.079 1.00 0.00 O ATOM 0 H SER A 67 1.591 2.123 -9.253 1.00 0.00 H new ATOM 0 HA SER A 67 3.549 1.512 -8.419 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.587 3.065 -10.792 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.414 1.771 -9.946 1.00 0.00 H new ATOM 0 HG SER A 67 3.679 0.333 -10.591 1.00 0.00 H new ATOM 978 N LEU A 68 4.049 3.326 -6.812 1.00 0.00 N ATOM 979 CA LEU A 68 4.551 4.278 -5.844 1.00 0.00 C ATOM 980 C LEU A 68 5.734 3.675 -5.107 1.00 0.00 C ATOM 981 O LEU A 68 6.150 4.136 -4.046 1.00 0.00 O ATOM 982 CB LEU A 68 3.423 4.681 -4.902 1.00 0.00 C ATOM 983 CG LEU A 68 2.835 3.582 -4.043 1.00 0.00 C ATOM 984 CD1 LEU A 68 3.329 3.682 -2.609 1.00 0.00 C ATOM 985 CD2 LEU A 68 1.341 3.613 -4.130 1.00 0.00 C ATOM 0 H LEU A 68 3.501 2.565 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 68 4.903 5.182 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.793 5.467 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.620 5.115 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 68 3.173 2.617 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.890 2.880 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.415 3.593 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.037 4.645 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.924 2.820 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.976 4.578 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.034 3.464 -5.165 1.00 0.00 H new ATOM 997 N VAL A 69 6.237 2.628 -5.684 1.00 0.00 N ATOM 998 CA VAL A 69 7.421 1.927 -5.224 1.00 0.00 C ATOM 999 C VAL A 69 8.685 2.849 -5.277 1.00 0.00 C ATOM 1000 O VAL A 69 9.475 2.850 -6.227 1.00 0.00 O ATOM 1001 CB VAL A 69 7.607 0.577 -6.008 1.00 0.00 C ATOM 1002 CG1 VAL A 69 7.646 0.782 -7.511 1.00 0.00 C ATOM 1003 CG2 VAL A 69 8.815 -0.213 -5.529 1.00 0.00 C ATOM 0 H VAL A 69 5.827 2.213 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 69 7.286 1.663 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 69 6.723 -0.021 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.776 -0.180 -8.006 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.712 1.236 -7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.478 1.437 -7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.897 -1.136 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.717 0.382 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.697 -0.453 -4.472 1.00 0.00 H new ATOM 1013 N GLY A 70 8.786 3.685 -4.275 1.00 0.00 N ATOM 1014 CA GLY A 70 9.864 4.623 -4.162 1.00 0.00 C ATOM 1015 C GLY A 70 9.349 6.050 -4.182 1.00 0.00 C ATOM 1016 O GLY A 70 9.816 6.869 -4.964 1.00 0.00 O ATOM 0 H GLY A 70 8.114 3.731 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.411 4.443 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.567 4.475 -4.982 1.00 0.00 H new ATOM 1020 N VAL A 71 8.344 6.331 -3.363 1.00 0.00 N ATOM 1021 CA VAL A 71 7.794 7.679 -3.241 1.00 0.00 C ATOM 1022 C VAL A 71 7.783 8.085 -1.783 1.00 0.00 C ATOM 1023 O VAL A 71 8.144 7.293 -0.918 1.00 0.00 O ATOM 1024 CB VAL A 71 6.348 7.811 -3.803 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.293 7.444 -5.280 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.364 6.979 -2.984 1.00 0.00 C ATOM 0 H VAL A 71 7.889 5.639 -2.768 1.00 0.00 H new ATOM 0 HA VAL A 71 8.434 8.331 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 71 6.050 8.856 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.270 7.546 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.946 8.109 -5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.623 6.414 -5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.362 7.089 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.658 5.930 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.369 7.323 -1.950 1.00 0.00 H new ATOM 1036 N THR A 72 7.355 9.281 -1.512 1.00 0.00 N ATOM 1037 CA THR A 72 7.288 9.784 -0.173 1.00 0.00 C ATOM 1038 C THR A 72 5.942 9.503 0.451 1.00 0.00 C ATOM 1039 O THR A 72 5.009 9.019 -0.225 1.00 0.00 O ATOM 1040 CB THR A 72 7.534 11.281 -0.166 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.755 11.885 -1.223 1.00 0.00 O ATOM 1042 CG2 THR A 72 9.004 11.580 -0.353 1.00 0.00 C ATOM 0 H THR A 72 7.039 9.942 -2.222 1.00 0.00 H new ATOM 0 HA THR A 72 8.057 9.277 0.410 1.00 0.00 H new ATOM 0 HB THR A 72 7.231 11.696 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.022 12.821 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.160 12.659 -0.345 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.574 11.125 0.457 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.340 11.172 -1.306 1.00 0.00 H new ATOM 1050 N GLN A 73 5.821 9.833 1.727 1.00 0.00 N ATOM 1051 CA GLN A 73 4.596 9.606 2.450 1.00 0.00 C ATOM 1052 C GLN A 73 3.483 10.470 1.874 1.00 0.00 C ATOM 1053 O GLN A 73 2.356 10.032 1.755 1.00 0.00 O ATOM 1054 CB GLN A 73 4.751 9.828 3.996 1.00 0.00 C ATOM 1055 CG GLN A 73 4.511 11.255 4.511 1.00 0.00 C ATOM 1056 CD GLN A 73 5.504 12.272 3.992 1.00 0.00 C ATOM 1057 OE1 GLN A 73 6.721 11.873 3.806 1.00 0.00 O flip ATOM 1058 NE2 GLN A 73 5.167 13.425 3.787 1.00 0.00 N flip ATOM 0 H GLN A 73 6.565 10.261 2.279 1.00 0.00 H new ATOM 0 HA GLN A 73 4.332 8.556 2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.058 9.160 4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.758 9.526 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.506 11.568 4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.549 11.248 5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.200 13.709 3.943 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.852 14.106 3.459 1.00 0.00 H new ATOM 1067 N ASN A 74 3.840 11.676 1.436 1.00 0.00 N ATOM 1068 CA ASN A 74 2.856 12.604 0.915 1.00 0.00 C ATOM 1069 C ASN A 74 2.329 12.130 -0.420 1.00 0.00 C ATOM 1070 O ASN A 74 1.164 12.353 -0.742 1.00 0.00 O ATOM 1071 CB ASN A 74 3.376 14.062 0.827 1.00 0.00 C ATOM 1072 CG ASN A 74 4.553 14.244 -0.107 1.00 0.00 C ATOM 1073 OD1 ASN A 74 4.377 14.410 -1.313 1.00 0.00 O ATOM 1074 ND2 ASN A 74 5.743 14.292 0.437 1.00 0.00 N ATOM 0 H ASN A 74 4.798 12.026 1.434 1.00 0.00 H new ATOM 0 HA ASN A 74 2.035 12.621 1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.562 14.707 0.498 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.663 14.395 1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.562 14.472 -0.143 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.851 14.150 1.441 1.00 0.00 H new ATOM 1081 N PHE A 75 3.169 11.438 -1.183 1.00 0.00 N ATOM 1082 CA PHE A 75 2.740 10.905 -2.452 1.00 0.00 C ATOM 1083 C PHE A 75 1.792 9.751 -2.199 1.00 0.00 C ATOM 1084 O PHE A 75 0.653 9.747 -2.677 1.00 0.00 O ATOM 1085 CB PHE A 75 3.927 10.424 -3.298 1.00 0.00 C ATOM 1086 CG PHE A 75 3.546 10.040 -4.722 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.938 8.817 -5.007 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.780 10.912 -5.766 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.584 8.486 -6.295 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.425 10.583 -7.059 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.826 9.368 -7.323 1.00 0.00 C ATOM 0 H PHE A 75 4.140 11.239 -0.940 1.00 0.00 H new ATOM 0 HA PHE A 75 2.240 11.697 -3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.680 11.211 -3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.386 9.564 -2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.742 8.120 -4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.248 11.865 -5.569 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.116 7.534 -6.499 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.616 11.277 -7.864 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.548 9.110 -8.334 1.00 0.00 H new ATOM 1101 N ALA A 76 2.259 8.793 -1.408 1.00 0.00 N ATOM 1102 CA ALA A 76 1.490 7.601 -1.098 1.00 0.00 C ATOM 1103 C ALA A 76 0.142 7.938 -0.463 1.00 0.00 C ATOM 1104 O ALA A 76 -0.893 7.468 -0.921 1.00 0.00 O ATOM 1105 CB ALA A 76 2.287 6.673 -0.212 1.00 0.00 C ATOM 0 H ALA A 76 3.178 8.823 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 76 1.281 7.092 -2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.695 5.785 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.204 6.380 -0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.538 7.184 0.718 1.00 0.00 H new ATOM 1111 N ALA A 77 0.153 8.809 0.539 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.067 9.206 1.248 1.00 0.00 C ATOM 1113 C ALA A 77 -2.090 9.854 0.307 1.00 0.00 C ATOM 1114 O ALA A 77 -3.289 9.808 0.557 1.00 0.00 O ATOM 1115 CB ALA A 77 -0.732 10.135 2.399 1.00 0.00 C ATOM 0 H ALA A 77 1.000 9.260 0.885 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.524 8.301 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.649 10.420 2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.067 9.625 3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.239 11.028 2.014 1.00 0.00 H new ATOM 1121 N THR A 78 -1.601 10.431 -0.773 1.00 0.00 N ATOM 1122 CA THR A 78 -2.440 11.021 -1.783 1.00 0.00 C ATOM 1123 C THR A 78 -3.081 9.927 -2.658 1.00 0.00 C ATOM 1124 O THR A 78 -4.285 9.972 -2.939 1.00 0.00 O ATOM 1125 CB THR A 78 -1.623 12.009 -2.643 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.161 13.085 -1.813 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.435 12.557 -3.804 1.00 0.00 C ATOM 0 H THR A 78 -0.603 10.501 -0.970 1.00 0.00 H new ATOM 0 HA THR A 78 -3.242 11.574 -1.295 1.00 0.00 H new ATOM 0 HB THR A 78 -0.775 11.471 -3.067 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.480 12.750 -1.193 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.822 13.248 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.757 11.735 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.310 13.082 -3.420 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.287 8.943 -3.053 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.778 7.830 -3.870 1.00 0.00 C ATOM 1137 C VAL A 79 -3.850 7.063 -3.112 1.00 0.00 C ATOM 1138 O VAL A 79 -4.954 6.903 -3.599 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.654 6.842 -4.265 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -2.180 5.788 -5.228 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.485 7.583 -4.857 1.00 0.00 C ATOM 0 H VAL A 79 -1.295 8.888 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.184 8.267 -4.782 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.310 6.331 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.374 5.103 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.988 5.231 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.555 6.273 -6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.296 6.873 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.809 8.124 -5.746 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.094 8.290 -4.125 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.530 6.671 -1.882 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.449 5.902 -1.023 1.00 0.00 C ATOM 1153 C LEU A 80 -5.682 6.738 -0.574 1.00 0.00 C ATOM 1154 O LEU A 80 -6.570 6.246 0.123 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.716 5.326 0.215 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.732 4.142 -0.007 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -3.391 3.025 -0.764 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.457 4.552 -0.703 1.00 0.00 C ATOM 0 H LEU A 80 -2.630 6.873 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.815 5.074 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.161 6.139 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.472 5.003 0.931 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.458 3.792 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.680 2.211 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.251 2.662 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.721 3.390 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.814 3.681 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.695 4.970 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.940 5.302 -0.104 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.696 7.998 -0.943 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.819 8.882 -0.681 1.00 0.00 C ATOM 1172 C ARG A 81 -7.717 8.907 -1.924 1.00 0.00 C ATOM 1173 O ARG A 81 -8.949 8.829 -1.845 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.293 10.302 -0.449 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.355 11.334 -0.124 1.00 0.00 C ATOM 1176 CD ARG A 81 -6.846 12.739 -0.415 1.00 0.00 C ATOM 1177 NE ARG A 81 -7.837 13.777 -0.062 1.00 0.00 N ATOM 1178 CZ ARG A 81 -8.011 14.949 -0.704 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -7.301 15.236 -1.783 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -8.909 15.823 -0.265 1.00 0.00 N ATOM 0 H ARG A 81 -4.925 8.446 -1.438 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.371 8.534 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.571 10.277 0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.756 10.624 -1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.252 11.138 -0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.638 11.254 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.926 12.913 0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.597 12.821 -1.473 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.442 13.590 0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.616 14.568 -2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.439 16.125 -2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.469 15.608 0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.039 16.709 -0.753 1.00 0.00 H new ATOM 1194 N ASN A 82 -7.059 8.943 -3.067 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.684 9.146 -4.370 1.00 0.00 C ATOM 1196 C ASN A 82 -8.130 7.862 -5.044 1.00 0.00 C ATOM 1197 O ASN A 82 -8.530 7.857 -6.212 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.728 9.889 -5.274 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.777 11.376 -5.043 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -7.548 12.097 -5.683 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -5.981 11.852 -4.144 1.00 0.00 N ATOM 0 H ASN A 82 -6.047 8.829 -3.122 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.588 9.728 -4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.713 9.529 -5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.972 9.675 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.977 12.852 -3.945 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.357 11.228 -3.634 1.00 0.00 H new ATOM 1208 N THR A 83 -8.053 6.801 -4.332 1.00 0.00 N ATOM 1209 CA THR A 83 -8.456 5.504 -4.794 1.00 0.00 C ATOM 1210 C THR A 83 -9.986 5.339 -4.812 1.00 0.00 C ATOM 1211 O THR A 83 -10.712 6.026 -4.055 1.00 0.00 O ATOM 1212 CB THR A 83 -7.833 4.467 -3.877 1.00 0.00 C ATOM 1213 OG1 THR A 83 -7.822 5.013 -2.546 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.420 4.143 -4.304 1.00 0.00 C ATOM 0 H THR A 83 -7.697 6.799 -3.376 1.00 0.00 H new ATOM 0 HA THR A 83 -8.116 5.376 -5.822 1.00 0.00 H new ATOM 0 HB THR A 83 -8.412 3.544 -3.919 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.740 5.210 -2.266 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.998 3.398 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.428 3.750 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.813 5.048 -4.270 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.454 4.454 -5.669 1.00 0.00 N ATOM 1223 CA LYS A 84 -11.864 4.121 -5.776 1.00 0.00 C ATOM 1224 C LYS A 84 -12.104 2.686 -5.280 1.00 0.00 C ATOM 1225 O LYS A 84 -11.205 2.107 -4.696 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.406 4.404 -7.217 1.00 0.00 C ATOM 1227 CG LYS A 84 -11.525 3.940 -8.395 1.00 0.00 C ATOM 1228 CD LYS A 84 -11.462 2.430 -8.541 1.00 0.00 C ATOM 1229 CE LYS A 84 -10.544 2.004 -9.688 1.00 0.00 C ATOM 1230 NZ LYS A 84 -10.989 2.498 -11.016 1.00 0.00 N ATOM 0 H LYS A 84 -9.861 3.939 -6.319 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.446 4.772 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.381 3.926 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.566 5.478 -7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.910 4.371 -9.319 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.515 4.327 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.106 1.990 -7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.465 2.040 -8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.536 2.370 -9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.488 0.916 -9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.384 2.092 -11.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.976 2.214 -11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.919 3.535 -11.042 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.308 2.153 -5.492 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.690 0.817 -5.004 1.00 0.00 C ATOM 1246 C GLY A 85 -12.712 -0.304 -5.338 1.00 0.00 C ATOM 1247 O GLY A 85 -12.157 -0.933 -4.429 1.00 0.00 O ATOM 0 H GLY A 85 -14.049 2.630 -6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.807 0.864 -3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.665 0.562 -5.419 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.517 -0.580 -6.611 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.597 -1.645 -7.018 1.00 0.00 C ATOM 1253 C ASN A 86 -10.169 -1.159 -7.007 1.00 0.00 C ATOM 1254 O ASN A 86 -9.735 -0.417 -7.898 1.00 0.00 O ATOM 1255 CB ASN A 86 -11.934 -2.239 -8.390 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.270 -2.949 -8.439 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -14.289 -2.351 -8.776 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -13.287 -4.220 -8.101 1.00 0.00 N ATOM 0 H ASN A 86 -12.974 -0.092 -7.382 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.716 -2.441 -6.283 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.931 -1.440 -9.132 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -11.150 -2.941 -8.674 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.165 -4.739 -8.114 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.422 -4.686 -7.826 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.438 -1.565 -6.014 1.00 0.00 N ATOM 1266 CA VAL A 87 -8.083 -1.111 -5.853 1.00 0.00 C ATOM 1267 C VAL A 87 -7.134 -2.247 -6.037 1.00 0.00 C ATOM 1268 O VAL A 87 -7.308 -3.287 -5.433 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.814 -0.581 -4.446 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.616 0.353 -4.441 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -9.027 0.047 -3.840 1.00 0.00 C ATOM 0 H VAL A 87 -9.757 -2.215 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.943 -0.323 -6.593 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.567 -1.433 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.443 0.718 -3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.734 -0.185 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.810 1.197 -5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.788 0.409 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.353 0.882 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.826 -0.692 -3.777 1.00 0.00 H new ATOM 1281 N ARG A 88 -6.158 -2.078 -6.868 1.00 0.00 N ATOM 1282 CA ARG A 88 -5.104 -3.050 -6.944 1.00 0.00 C ATOM 1283 C ARG A 88 -3.982 -2.634 -6.063 1.00 0.00 C ATOM 1284 O ARG A 88 -3.256 -1.679 -6.370 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.570 -3.300 -8.345 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.492 -4.083 -9.236 1.00 0.00 C ATOM 1287 CD ARG A 88 -6.554 -3.206 -9.876 1.00 0.00 C ATOM 1288 NE ARG A 88 -5.964 -2.120 -10.677 1.00 0.00 N ATOM 1289 CZ ARG A 88 -6.650 -1.331 -11.511 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -7.939 -1.551 -11.730 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -6.047 -0.315 -12.114 1.00 0.00 N ATOM 0 H ARG A 88 -6.063 -1.284 -7.502 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.546 -3.991 -6.616 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.360 -2.340 -8.816 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.622 -3.832 -8.268 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.910 -4.574 -10.016 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.974 -4.869 -8.655 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.195 -3.818 -10.511 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -7.189 -2.780 -9.099 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.961 -1.958 -10.589 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -8.411 -2.324 -11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.458 -0.947 -12.367 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.058 -0.134 -11.942 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.572 0.285 -12.750 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.878 -3.279 -4.954 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.786 -3.066 -4.068 1.00 0.00 C ATOM 1307 C PHE A 89 -1.764 -4.104 -4.388 1.00 0.00 C ATOM 1308 O PHE A 89 -1.918 -5.256 -4.013 1.00 0.00 O ATOM 1309 CB PHE A 89 -3.182 -3.239 -2.597 1.00 0.00 C ATOM 1310 CG PHE A 89 -4.235 -2.316 -2.081 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -3.893 -1.088 -1.558 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -5.560 -2.685 -2.096 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -4.853 -0.238 -1.058 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -6.526 -1.839 -1.601 1.00 0.00 C ATOM 1315 CZ PHE A 89 -6.170 -0.614 -1.081 1.00 0.00 C ATOM 0 H PHE A 89 -4.552 -3.974 -4.633 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.423 -2.046 -4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.525 -4.263 -2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.288 -3.114 -1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.856 -0.788 -1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.844 -3.646 -2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.569 0.721 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.564 -2.136 -1.620 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.928 0.049 -0.692 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.767 -3.747 -5.107 1.00 0.00 N ATOM 1326 CA VAL A 90 0.259 -4.684 -5.405 1.00 0.00 C ATOM 1327 C VAL A 90 1.298 -4.479 -4.351 1.00 0.00 C ATOM 1328 O VAL A 90 2.158 -3.632 -4.459 1.00 0.00 O ATOM 1329 CB VAL A 90 0.865 -4.523 -6.817 1.00 0.00 C ATOM 1330 CG1 VAL A 90 1.844 -5.655 -7.127 1.00 0.00 C ATOM 1331 CG2 VAL A 90 -0.227 -4.438 -7.874 1.00 0.00 C ATOM 0 H VAL A 90 -0.635 -2.816 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.151 -5.694 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 90 1.422 -3.586 -6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.255 -5.517 -8.127 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.653 -5.646 -6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.322 -6.611 -7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.227 -4.325 -8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.825 -5.349 -7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.866 -3.579 -7.669 1.00 0.00 H new ATOM 1341 N ILE A 91 1.052 -5.110 -3.269 1.00 0.00 N ATOM 1342 CA ILE A 91 1.852 -5.081 -2.099 1.00 0.00 C ATOM 1343 C ILE A 91 2.750 -6.287 -2.073 1.00 0.00 C ATOM 1344 O ILE A 91 2.490 -7.263 -2.738 1.00 0.00 O ATOM 1345 CB ILE A 91 0.880 -5.082 -0.897 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.175 -3.748 -0.827 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.508 -5.469 0.440 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.843 -3.671 0.238 1.00 0.00 C ATOM 0 H ILE A 91 0.229 -5.704 -3.166 1.00 0.00 H new ATOM 0 HA ILE A 91 2.491 -4.199 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 91 0.157 -5.877 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.915 -2.964 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.300 -3.547 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.748 -5.441 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.920 -6.476 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.305 -4.767 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.307 -2.685 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.605 -4.432 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.371 -3.839 1.206 1.00 0.00 H new ATOM 1360 N GLY A 92 3.801 -6.205 -1.346 1.00 0.00 N ATOM 1361 CA GLY A 92 4.642 -7.309 -1.224 1.00 0.00 C ATOM 1362 C GLY A 92 5.001 -7.539 0.202 1.00 0.00 C ATOM 1363 O GLY A 92 5.105 -6.585 0.984 1.00 0.00 O ATOM 0 H GLY A 92 4.091 -5.375 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.150 -8.194 -1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.546 -7.151 -1.811 1.00 0.00 H new ATOM 1367 N ARG A 93 5.189 -8.767 0.545 1.00 0.00 N ATOM 1368 CA ARG A 93 5.544 -9.136 1.881 1.00 0.00 C ATOM 1369 C ARG A 93 6.924 -9.758 1.898 1.00 0.00 C ATOM 1370 O ARG A 93 7.176 -10.764 1.214 1.00 0.00 O ATOM 1371 CB ARG A 93 4.508 -10.114 2.468 1.00 0.00 C ATOM 1372 CG ARG A 93 4.879 -10.690 3.836 1.00 0.00 C ATOM 1373 CD ARG A 93 4.991 -9.627 4.920 1.00 0.00 C ATOM 1374 NE ARG A 93 5.559 -10.196 6.150 1.00 0.00 N ATOM 1375 CZ ARG A 93 5.738 -9.554 7.302 1.00 0.00 C ATOM 1376 NH1 ARG A 93 5.261 -8.328 7.477 1.00 0.00 N ATOM 1377 NH2 ARG A 93 6.371 -10.157 8.295 1.00 0.00 N ATOM 0 H ARG A 93 5.101 -9.555 -0.097 1.00 0.00 H new ATOM 0 HA ARG A 93 5.554 -8.238 2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.550 -9.601 2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.368 -10.937 1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.128 -11.423 4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.828 -11.220 3.755 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.618 -8.808 4.569 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.007 -9.208 5.128 1.00 0.00 H new ATOM 0 HE ARG A 93 5.843 -11.175 6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.750 -7.867 6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.405 -7.847 8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.719 -11.108 8.175 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.511 -9.670 9.180 1.00 0.00 H new ATOM 1391 N GLU A 94 7.818 -9.138 2.616 1.00 0.00 N ATOM 1392 CA GLU A 94 9.108 -9.673 2.829 1.00 0.00 C ATOM 1393 C GLU A 94 9.209 -10.154 4.265 1.00 0.00 C ATOM 1394 O GLU A 94 9.203 -9.334 5.189 1.00 0.00 O ATOM 1395 CB GLU A 94 10.219 -8.683 2.452 1.00 0.00 C ATOM 1396 CG GLU A 94 10.220 -7.354 3.184 1.00 0.00 C ATOM 1397 CD GLU A 94 11.389 -6.505 2.783 1.00 0.00 C ATOM 1398 OE1 GLU A 94 12.544 -6.873 3.111 1.00 0.00 O ATOM 1399 OE2 GLU A 94 11.189 -5.478 2.121 1.00 0.00 O ATOM 0 H GLU A 94 7.657 -8.238 3.069 1.00 0.00 H new ATOM 0 HA GLU A 94 9.256 -10.525 2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.180 -9.168 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.149 -8.483 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.293 -6.821 2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.249 -7.530 4.259 1.00 0.00 H new TER 1406 GLU A 94