USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 581 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 60 ASN : amide:sc= -0.457 K(o=-1.6,f=-1.1) USER MOD Set 1.2: A 62 GLN : amide:sc= -1.13 K(o=-1.6,f=-1.1) USER MOD Set 2.1: A 22 THR OG1 : rot 159:sc= 0.424 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.0119 K(o=0.44,f=-1.1) USER MOD Set 3.1: A 7 THR OG1 : rot 122:sc= 1.06 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.937 USER MOD Single : A 1 MET CE :methyl 157:sc= 0 (180deg=-0.278) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.27 (180deg=1.11) USER MOD Single : A 2 GLN : amide:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0131) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 14 THR OG1 : rot -109:sc= 0.0654 USER MOD Single : A 20 SER OG : rot -38:sc= 0.00748 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.01) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 1.23 (180deg=0.694) USER MOD Single : A 31 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.072) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0206) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 41 ASN : amide:sc= -0.0396 K(o=-0.04,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.08! X(o=-1.1!,f=-0.62) USER MOD Single : A 55 THR OG1 : rot -62:sc= 1.28 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -112:sc= 1.33 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 K(o=0,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.784 -2.748 3.781 1.00 0.00 N ATOM 2 CA MET A 1 -13.305 -2.967 2.401 1.00 0.00 C ATOM 3 C MET A 1 -12.050 -3.829 2.423 1.00 0.00 C ATOM 4 O MET A 1 -11.524 -4.136 3.489 1.00 0.00 O ATOM 5 CB MET A 1 -13.017 -1.626 1.700 1.00 0.00 C ATOM 6 CG MET A 1 -14.316 -0.996 1.225 1.00 0.00 C ATOM 7 SD MET A 1 -14.206 0.744 0.744 1.00 0.00 S ATOM 8 CE MET A 1 -15.317 0.758 -0.692 1.00 0.00 C ATOM 0 H1 MET A 1 -14.733 -2.323 3.756 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.825 -3.658 4.283 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.131 -2.108 4.278 1.00 0.00 H new ATOM 0 HA MET A 1 -14.085 -3.481 1.840 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.506 -0.951 2.386 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.350 -1.785 0.853 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.687 -1.567 0.374 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.057 -1.089 2.019 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.685 1.771 -0.858 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.775 0.420 -1.575 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.160 0.092 -0.507 1.00 0.00 H new ATOM 18 N GLN A 2 -11.589 -4.288 1.260 1.00 0.00 N ATOM 19 CA GLN A 2 -10.385 -5.089 1.110 1.00 0.00 C ATOM 20 C GLN A 2 -9.720 -4.676 -0.196 1.00 0.00 C ATOM 21 O GLN A 2 -10.403 -4.112 -1.049 1.00 0.00 O ATOM 22 CB GLN A 2 -10.688 -6.600 1.104 1.00 0.00 C ATOM 23 CG GLN A 2 -11.477 -7.103 -0.116 1.00 0.00 C ATOM 24 CD GLN A 2 -11.519 -8.629 -0.137 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.963 -9.263 0.820 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.043 -9.243 -1.202 1.00 0.00 N ATOM 0 H GLN A 2 -12.060 -4.105 0.374 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.726 -4.912 1.960 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.745 -7.144 1.157 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.248 -6.846 2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.492 -6.706 -0.088 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.015 -6.734 -1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.680 -8.699 -1.985 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.038 -10.262 -1.244 1.00 0.00 H new ATOM 35 N ILE A 3 -8.433 -4.956 -0.369 1.00 0.00 N ATOM 36 CA ILE A 3 -7.664 -4.657 -1.577 1.00 0.00 C ATOM 37 C ILE A 3 -6.612 -5.751 -1.745 1.00 0.00 C ATOM 38 O ILE A 3 -6.291 -6.461 -0.786 1.00 0.00 O ATOM 39 CB ILE A 3 -7.017 -3.246 -1.580 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.747 -3.074 -0.714 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.030 -2.126 -1.288 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.911 -3.426 0.764 1.00 0.00 C ATOM 0 H ILE A 3 -7.875 -5.413 0.352 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.351 -4.643 -2.423 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.669 -3.151 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.955 -3.695 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.414 -2.039 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.521 -1.162 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.812 -2.135 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.476 -2.286 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.965 -3.271 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.676 -2.788 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.210 -4.470 0.858 1.00 0.00 H new ATOM 54 N PHE A 4 -6.074 -5.879 -2.953 1.00 0.00 N ATOM 55 CA PHE A 4 -5.046 -6.844 -3.292 1.00 0.00 C ATOM 56 C PHE A 4 -3.729 -6.085 -3.294 1.00 0.00 C ATOM 57 O PHE A 4 -3.643 -4.947 -3.762 1.00 0.00 O ATOM 58 CB PHE A 4 -5.352 -7.536 -4.625 1.00 0.00 C ATOM 59 CG PHE A 4 -6.750 -8.121 -4.669 1.00 0.00 C ATOM 60 CD1 PHE A 4 -7.136 -9.052 -3.690 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.679 -7.709 -5.643 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.447 -9.556 -3.666 1.00 0.00 C ATOM 63 CE2 PHE A 4 -8.992 -8.209 -5.617 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.380 -9.129 -4.629 1.00 0.00 C ATOM 0 H PHE A 4 -6.352 -5.296 -3.742 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.998 -7.656 -2.567 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.236 -6.819 -5.438 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.624 -8.330 -4.794 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.420 -9.382 -2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.383 -7.009 -6.410 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.738 -10.270 -2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.706 -7.885 -6.360 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.391 -9.507 -4.609 1.00 0.00 H new ATOM 74 N VAL A 5 -2.689 -6.735 -2.800 1.00 0.00 N ATOM 75 CA VAL A 5 -1.357 -6.199 -2.666 1.00 0.00 C ATOM 76 C VAL A 5 -0.393 -7.177 -3.330 1.00 0.00 C ATOM 77 O VAL A 5 -0.149 -8.265 -2.808 1.00 0.00 O ATOM 78 CB VAL A 5 -1.088 -5.972 -1.159 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.267 -5.311 -0.895 1.00 0.00 C ATOM 80 CG2 VAL A 5 -2.160 -5.084 -0.498 1.00 0.00 C ATOM 0 H VAL A 5 -2.760 -7.697 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.226 -5.237 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.106 -6.972 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.403 -5.176 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.063 -5.945 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.301 -4.341 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.925 -4.956 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.178 -4.110 -0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.137 -5.558 -0.598 1.00 0.00 H new ATOM 90 N LYS A 6 0.125 -6.818 -4.505 1.00 0.00 N ATOM 91 CA LYS A 6 1.084 -7.631 -5.241 1.00 0.00 C ATOM 92 C LYS A 6 2.423 -7.395 -4.545 1.00 0.00 C ATOM 93 O LYS A 6 2.742 -6.238 -4.235 1.00 0.00 O ATOM 94 CB LYS A 6 1.142 -7.157 -6.707 1.00 0.00 C ATOM 95 CG LYS A 6 1.806 -8.196 -7.623 1.00 0.00 C ATOM 96 CD LYS A 6 0.810 -9.276 -8.071 1.00 0.00 C ATOM 97 CE LYS A 6 0.053 -8.915 -9.353 1.00 0.00 C ATOM 98 NZ LYS A 6 0.903 -8.995 -10.558 1.00 0.00 N ATOM 0 H LYS A 6 -0.114 -5.945 -4.974 1.00 0.00 H new ATOM 0 HA LYS A 6 0.819 -8.688 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.132 -6.954 -7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.694 -6.219 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.220 -7.697 -8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.639 -8.664 -7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.347 -10.212 -8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.091 -9.450 -7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.798 -9.586 -9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.347 -7.905 -9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.326 -8.807 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.663 -8.288 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.319 -9.946 -10.627 1.00 0.00 H new ATOM 112 N THR A 7 3.183 -8.447 -4.270 1.00 0.00 N ATOM 113 CA THR A 7 4.470 -8.346 -3.599 1.00 0.00 C ATOM 114 C THR A 7 5.613 -8.495 -4.603 1.00 0.00 C ATOM 115 O THR A 7 5.431 -9.086 -5.675 1.00 0.00 O ATOM 116 CB THR A 7 4.549 -9.429 -2.509 1.00 0.00 C ATOM 117 OG1 THR A 7 4.513 -10.713 -3.085 1.00 0.00 O ATOM 118 CG2 THR A 7 3.425 -9.363 -1.468 1.00 0.00 C ATOM 0 H THR A 7 2.920 -9.403 -4.509 1.00 0.00 H new ATOM 0 HA THR A 7 4.566 -7.364 -3.137 1.00 0.00 H new ATOM 0 HB THR A 7 5.492 -9.237 -1.998 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.315 -11.212 -2.823 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.558 -10.162 -0.738 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.455 -8.399 -0.961 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.462 -9.482 -1.964 1.00 0.00 H new ATOM 126 N LEU A 8 6.800 -7.981 -4.255 1.00 0.00 N ATOM 127 CA LEU A 8 7.973 -8.100 -5.124 1.00 0.00 C ATOM 128 C LEU A 8 8.477 -9.546 -5.096 1.00 0.00 C ATOM 129 O LEU A 8 9.057 -10.020 -6.069 1.00 0.00 O ATOM 130 CB LEU A 8 9.124 -7.172 -4.690 1.00 0.00 C ATOM 131 CG LEU A 8 8.913 -5.676 -4.979 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.150 -4.891 -4.532 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.679 -5.399 -6.469 1.00 0.00 C ATOM 0 H LEU A 8 6.971 -7.482 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 8 7.664 -7.807 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.285 -7.298 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.037 -7.496 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 8 8.026 -5.363 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.002 -3.831 -4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.306 -5.036 -3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.024 -5.247 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.535 -4.329 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.544 -5.735 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.791 -5.936 -6.804 1.00 0.00 H new ATOM 145 N THR A 9 8.211 -10.252 -4.000 1.00 0.00 N ATOM 146 CA THR A 9 8.585 -11.632 -3.733 1.00 0.00 C ATOM 147 C THR A 9 7.904 -12.635 -4.680 1.00 0.00 C ATOM 148 O THR A 9 8.237 -13.825 -4.654 1.00 0.00 O ATOM 149 CB THR A 9 8.268 -11.893 -2.252 1.00 0.00 C ATOM 150 OG1 THR A 9 6.919 -11.527 -1.999 1.00 0.00 O ATOM 151 CG2 THR A 9 9.172 -11.047 -1.346 1.00 0.00 C ATOM 0 H THR A 9 7.692 -9.843 -3.223 1.00 0.00 H new ATOM 0 HA THR A 9 9.647 -11.781 -3.926 1.00 0.00 H new ATOM 0 HB THR A 9 8.434 -12.949 -2.042 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.707 -11.692 -1.057 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.931 -11.247 -0.302 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.215 -11.302 -1.533 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.013 -9.990 -1.559 1.00 0.00 H new ATOM 159 N GLY A 10 6.957 -12.195 -5.518 1.00 0.00 N ATOM 160 CA GLY A 10 6.272 -13.052 -6.468 1.00 0.00 C ATOM 161 C GLY A 10 5.041 -13.685 -5.860 1.00 0.00 C ATOM 162 O GLY A 10 4.904 -14.912 -5.893 1.00 0.00 O ATOM 0 H GLY A 10 6.649 -11.223 -5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.987 -12.470 -7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.952 -13.832 -6.811 1.00 0.00 H new ATOM 166 N LYS A 11 4.156 -12.880 -5.276 1.00 0.00 N ATOM 167 CA LYS A 11 2.923 -13.324 -4.646 1.00 0.00 C ATOM 168 C LYS A 11 1.926 -12.163 -4.622 1.00 0.00 C ATOM 169 O LYS A 11 2.228 -11.059 -5.089 1.00 0.00 O ATOM 170 CB LYS A 11 3.278 -13.737 -3.207 1.00 0.00 C ATOM 171 CG LYS A 11 2.385 -14.853 -2.642 1.00 0.00 C ATOM 172 CD LYS A 11 2.740 -15.176 -1.192 1.00 0.00 C ATOM 173 CE LYS A 11 2.319 -14.050 -0.235 1.00 0.00 C ATOM 174 NZ LYS A 11 3.098 -14.118 1.016 1.00 0.00 N ATOM 0 H LYS A 11 4.285 -11.869 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 11 2.476 -14.157 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.316 -14.067 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.204 -12.863 -2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.340 -14.549 -2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.492 -15.750 -3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.252 -16.105 -0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.814 -15.340 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.471 -13.082 -0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.255 -14.132 -0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.801 -13.350 1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.932 -15.034 1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.110 -14.017 0.800 1.00 0.00 H new ATOM 188 N THR A 12 0.737 -12.422 -4.089 1.00 0.00 N ATOM 189 CA THR A 12 -0.323 -11.450 -3.914 1.00 0.00 C ATOM 190 C THR A 12 -0.925 -11.747 -2.542 1.00 0.00 C ATOM 191 O THR A 12 -1.021 -12.903 -2.118 1.00 0.00 O ATOM 192 CB THR A 12 -1.369 -11.471 -5.047 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.769 -11.543 -6.326 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.210 -10.186 -5.044 1.00 0.00 C ATOM 0 H THR A 12 0.481 -13.351 -3.756 1.00 0.00 H new ATOM 0 HA THR A 12 0.071 -10.435 -3.963 1.00 0.00 H new ATOM 0 HB THR A 12 -1.981 -12.354 -4.862 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.466 -11.556 -7.014 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.940 -10.227 -5.853 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.730 -10.094 -4.090 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.558 -9.324 -5.187 1.00 0.00 H new ATOM 202 N ILE A 13 -1.297 -10.701 -1.816 1.00 0.00 N ATOM 203 CA ILE A 13 -1.888 -10.746 -0.485 1.00 0.00 C ATOM 204 C ILE A 13 -3.169 -9.910 -0.542 1.00 0.00 C ATOM 205 O ILE A 13 -3.308 -9.048 -1.408 1.00 0.00 O ATOM 206 CB ILE A 13 -0.849 -10.205 0.536 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.427 -11.083 0.499 1.00 0.00 C ATOM 208 CG2 ILE A 13 -1.396 -10.130 1.976 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.568 -10.561 1.372 1.00 0.00 C ATOM 0 H ILE A 13 -1.189 -9.746 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.147 -11.755 -0.165 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.613 -9.183 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.170 -12.092 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.776 -11.156 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.622 -9.745 2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.260 -9.466 2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.693 -11.126 2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.424 -11.231 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.855 -9.564 1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.240 -10.515 2.410 1.00 0.00 H new ATOM 221 N THR A 14 -4.098 -10.155 0.375 1.00 0.00 N ATOM 222 CA THR A 14 -5.358 -9.443 0.494 1.00 0.00 C ATOM 223 C THR A 14 -5.386 -8.921 1.934 1.00 0.00 C ATOM 224 O THR A 14 -5.000 -9.649 2.852 1.00 0.00 O ATOM 225 CB THR A 14 -6.522 -10.381 0.145 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.297 -10.997 -1.115 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.852 -9.627 0.072 1.00 0.00 C ATOM 0 H THR A 14 -3.987 -10.883 1.081 1.00 0.00 H new ATOM 0 HA THR A 14 -5.458 -8.607 -0.199 1.00 0.00 H new ATOM 0 HB THR A 14 -6.575 -11.130 0.935 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.920 -10.628 -1.775 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.652 -10.324 -0.177 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.061 -9.164 1.036 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.791 -8.855 -0.695 1.00 0.00 H new ATOM 235 N LEU A 15 -5.750 -7.651 2.128 1.00 0.00 N ATOM 236 CA LEU A 15 -5.822 -6.993 3.439 1.00 0.00 C ATOM 237 C LEU A 15 -7.168 -6.294 3.578 1.00 0.00 C ATOM 238 O LEU A 15 -7.832 -6.043 2.571 1.00 0.00 O ATOM 239 CB LEU A 15 -4.735 -5.912 3.600 1.00 0.00 C ATOM 240 CG LEU A 15 -3.290 -6.310 3.271 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.421 -5.052 3.343 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.712 -7.351 4.235 1.00 0.00 C ATOM 0 H LEU A 15 -6.010 -7.034 1.359 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.681 -7.766 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.004 -5.067 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.761 -5.559 4.631 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.294 -6.758 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.387 -5.310 3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.782 -4.319 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.474 -4.630 4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.688 -7.587 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.719 -6.951 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.317 -8.257 4.198 1.00 0.00 H new ATOM 254 N GLU A 16 -7.534 -5.928 4.807 1.00 0.00 N ATOM 255 CA GLU A 16 -8.778 -5.240 5.135 1.00 0.00 C ATOM 256 C GLU A 16 -8.474 -3.751 5.346 1.00 0.00 C ATOM 257 O GLU A 16 -7.501 -3.397 6.017 1.00 0.00 O ATOM 258 CB GLU A 16 -9.414 -5.896 6.368 1.00 0.00 C ATOM 259 CG GLU A 16 -10.857 -5.421 6.568 1.00 0.00 C ATOM 260 CD GLU A 16 -11.516 -6.122 7.754 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.212 -7.140 7.540 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.368 -5.619 8.895 1.00 0.00 O ATOM 0 H GLU A 16 -6.953 -6.109 5.626 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.500 -5.321 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.398 -6.980 6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.825 -5.659 7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.868 -4.343 6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.434 -5.614 5.663 1.00 0.00 H new ATOM 269 N VAL A 17 -9.284 -2.865 4.767 1.00 0.00 N ATOM 270 CA VAL A 17 -9.151 -1.408 4.832 1.00 0.00 C ATOM 271 C VAL A 17 -10.525 -0.735 4.820 1.00 0.00 C ATOM 272 O VAL A 17 -11.528 -1.401 4.562 1.00 0.00 O ATOM 273 CB VAL A 17 -8.367 -0.909 3.598 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.918 -1.416 3.565 1.00 0.00 C ATOM 275 CG2 VAL A 17 -9.089 -1.245 2.268 1.00 0.00 C ATOM 0 H VAL A 17 -10.089 -3.157 4.213 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.629 -1.156 5.755 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.330 0.176 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.418 -1.032 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.391 -1.070 4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.914 -2.506 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.499 -0.874 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.205 -2.325 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.071 -0.772 2.258 1.00 0.00 H new ATOM 285 N GLU A 18 -10.584 0.585 4.999 1.00 0.00 N ATOM 286 CA GLU A 18 -11.800 1.381 4.983 1.00 0.00 C ATOM 287 C GLU A 18 -11.526 2.728 4.296 1.00 0.00 C ATOM 288 O GLU A 18 -10.368 3.125 4.181 1.00 0.00 O ATOM 289 CB GLU A 18 -12.321 1.574 6.408 1.00 0.00 C ATOM 290 CG GLU A 18 -12.700 0.213 7.020 1.00 0.00 C ATOM 291 CD GLU A 18 -13.728 0.290 8.136 1.00 0.00 C ATOM 292 OE1 GLU A 18 -13.372 0.703 9.260 1.00 0.00 O ATOM 293 OE2 GLU A 18 -14.885 -0.143 7.906 1.00 0.00 O ATOM 0 H GLU A 18 -9.749 1.147 5.165 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.572 0.860 4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.559 2.058 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.189 2.233 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.087 -0.431 6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.798 -0.262 7.406 1.00 0.00 H new ATOM 300 N PRO A 19 -12.554 3.479 3.858 1.00 0.00 N ATOM 301 CA PRO A 19 -12.361 4.766 3.186 1.00 0.00 C ATOM 302 C PRO A 19 -11.694 5.823 4.073 1.00 0.00 C ATOM 303 O PRO A 19 -11.015 6.722 3.562 1.00 0.00 O ATOM 304 CB PRO A 19 -13.753 5.230 2.747 1.00 0.00 C ATOM 305 CG PRO A 19 -14.620 3.978 2.840 1.00 0.00 C ATOM 306 CD PRO A 19 -13.967 3.147 3.928 1.00 0.00 C ATOM 0 HA PRO A 19 -11.682 4.638 2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.130 6.022 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.737 5.627 1.732 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.650 4.226 3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.646 3.441 1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.380 3.385 4.908 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.131 2.082 3.763 1.00 0.00 H new ATOM 314 N SER A 20 -11.927 5.757 5.387 1.00 0.00 N ATOM 315 CA SER A 20 -11.344 6.679 6.349 1.00 0.00 C ATOM 316 C SER A 20 -9.926 6.237 6.727 1.00 0.00 C ATOM 317 O SER A 20 -9.225 7.019 7.370 1.00 0.00 O ATOM 318 CB SER A 20 -12.236 6.766 7.597 1.00 0.00 C ATOM 319 OG SER A 20 -12.008 7.966 8.313 1.00 0.00 O ATOM 0 H SER A 20 -12.532 5.053 5.810 1.00 0.00 H new ATOM 0 HA SER A 20 -11.280 7.668 5.895 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.284 6.710 7.302 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.042 5.911 8.245 1.00 0.00 H new ATOM 0 HG SER A 20 -11.053 8.184 8.290 1.00 0.00 H new ATOM 325 N ASP A 21 -9.497 5.019 6.367 1.00 0.00 N ATOM 326 CA ASP A 21 -8.157 4.561 6.713 1.00 0.00 C ATOM 327 C ASP A 21 -7.139 5.479 6.046 1.00 0.00 C ATOM 328 O ASP A 21 -7.186 5.752 4.840 1.00 0.00 O ATOM 329 CB ASP A 21 -7.897 3.083 6.377 1.00 0.00 C ATOM 330 CG ASP A 21 -8.610 2.096 7.306 1.00 0.00 C ATOM 331 OD1 ASP A 21 -8.462 0.875 7.073 1.00 0.00 O ATOM 332 OD2 ASP A 21 -9.314 2.533 8.248 1.00 0.00 O ATOM 0 H ASP A 21 -10.055 4.345 5.843 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.057 4.615 7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.214 2.894 5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.824 2.895 6.419 1.00 0.00 H new ATOM 337 N THR A 22 -6.265 6.025 6.881 1.00 0.00 N ATOM 338 CA THR A 22 -5.200 6.922 6.494 1.00 0.00 C ATOM 339 C THR A 22 -4.172 6.094 5.692 1.00 0.00 C ATOM 340 O THR A 22 -4.118 4.874 5.836 1.00 0.00 O ATOM 341 CB THR A 22 -4.711 7.605 7.793 1.00 0.00 C ATOM 342 OG1 THR A 22 -4.384 6.714 8.843 1.00 0.00 O ATOM 343 CG2 THR A 22 -5.825 8.448 8.421 1.00 0.00 C ATOM 0 H THR A 22 -6.285 5.844 7.885 1.00 0.00 H new ATOM 0 HA THR A 22 -5.479 7.736 5.825 1.00 0.00 H new ATOM 0 HB THR A 22 -3.838 8.165 7.458 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.785 7.161 9.477 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.456 8.918 9.333 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.139 9.219 7.717 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.674 7.808 8.661 1.00 0.00 H new ATOM 351 N ILE A 23 -3.350 6.674 4.812 1.00 0.00 N ATOM 352 CA ILE A 23 -2.396 5.828 4.079 1.00 0.00 C ATOM 353 C ILE A 23 -1.345 5.261 5.047 1.00 0.00 C ATOM 354 O ILE A 23 -0.848 4.162 4.806 1.00 0.00 O ATOM 355 CB ILE A 23 -1.827 6.530 2.839 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.927 6.981 1.857 1.00 0.00 C ATOM 357 CG2 ILE A 23 -0.829 5.629 2.090 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.795 5.867 1.251 1.00 0.00 C ATOM 0 H ILE A 23 -3.320 7.670 4.595 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.922 4.968 3.665 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.313 7.416 3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.582 7.682 2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.455 7.529 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.446 6.158 1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.002 5.374 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.332 4.717 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.532 6.305 0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.163 5.174 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.307 5.330 2.049 1.00 0.00 H new ATOM 370 N GLU A 24 -1.032 5.962 6.147 1.00 0.00 N ATOM 371 CA GLU A 24 -0.084 5.495 7.167 1.00 0.00 C ATOM 372 C GLU A 24 -0.603 4.140 7.700 1.00 0.00 C ATOM 373 O GLU A 24 0.123 3.156 7.786 1.00 0.00 O ATOM 374 CB GLU A 24 0.094 6.573 8.253 1.00 0.00 C ATOM 375 CG GLU A 24 -1.164 6.770 9.102 1.00 0.00 C ATOM 376 CD GLU A 24 -1.370 8.162 9.681 1.00 0.00 C ATOM 377 OE1 GLU A 24 -0.409 8.958 9.787 1.00 0.00 O ATOM 378 OE2 GLU A 24 -2.544 8.458 10.012 1.00 0.00 O ATOM 0 H GLU A 24 -1.434 6.876 6.354 1.00 0.00 H new ATOM 0 HA GLU A 24 0.913 5.332 6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.925 6.296 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.360 7.518 7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.032 6.520 8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.137 6.056 9.926 1.00 0.00 H new ATOM 385 N ASN A 25 -1.915 4.060 7.930 1.00 0.00 N ATOM 386 CA ASN A 25 -2.681 2.926 8.394 1.00 0.00 C ATOM 387 C ASN A 25 -2.498 1.723 7.490 1.00 0.00 C ATOM 388 O ASN A 25 -2.223 0.605 7.908 1.00 0.00 O ATOM 389 CB ASN A 25 -4.149 3.338 8.234 1.00 0.00 C ATOM 390 CG ASN A 25 -4.953 2.913 9.381 1.00 0.00 C ATOM 391 OD1 ASN A 25 -5.205 1.735 9.585 1.00 0.00 O ATOM 392 ND2 ASN A 25 -5.319 3.896 10.153 1.00 0.00 N ATOM 0 H ASN A 25 -2.515 4.871 7.778 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.377 2.668 9.408 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.214 4.420 8.124 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.554 2.899 7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.857 3.707 10.999 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.068 4.855 9.912 1.00 0.00 H new ATOM 399 N VAL A 26 -2.687 1.985 6.206 1.00 0.00 N ATOM 400 CA VAL A 26 -2.626 1.020 5.144 1.00 0.00 C ATOM 401 C VAL A 26 -1.190 0.522 4.981 1.00 0.00 C ATOM 402 O VAL A 26 -1.011 -0.673 4.738 1.00 0.00 O ATOM 403 CB VAL A 26 -3.390 1.629 3.957 1.00 0.00 C ATOM 404 CG1 VAL A 26 -3.480 0.643 2.791 1.00 0.00 C ATOM 405 CG2 VAL A 26 -4.838 1.993 4.403 1.00 0.00 C ATOM 0 H VAL A 26 -2.897 2.925 5.871 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.136 0.073 5.322 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.849 2.518 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.026 1.103 1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.476 0.380 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.003 -0.257 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.380 2.425 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.351 1.093 4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.797 2.716 5.218 1.00 0.00 H new ATOM 415 N LYS A 27 -0.158 1.367 5.140 1.00 0.00 N ATOM 416 CA LYS A 27 1.209 0.852 5.049 1.00 0.00 C ATOM 417 C LYS A 27 1.472 -0.001 6.304 1.00 0.00 C ATOM 418 O LYS A 27 2.071 -1.070 6.191 1.00 0.00 O ATOM 419 CB LYS A 27 2.280 1.915 4.769 1.00 0.00 C ATOM 420 CG LYS A 27 2.395 3.054 5.786 1.00 0.00 C ATOM 421 CD LYS A 27 3.618 3.967 5.629 1.00 0.00 C ATOM 422 CE LYS A 27 3.801 4.487 4.203 1.00 0.00 C ATOM 423 NZ LYS A 27 4.864 5.508 4.120 1.00 0.00 N ATOM 0 H LYS A 27 -0.240 2.367 5.324 1.00 0.00 H new ATOM 0 HA LYS A 27 1.293 0.225 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.247 1.416 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.080 2.351 3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.496 3.667 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.413 2.622 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.521 4.814 6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.512 3.420 5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.045 3.655 3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.862 4.911 3.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.073 5.711 3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.546 6.379 4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.722 5.154 4.589 1.00 0.00 H new ATOM 437 N ALA A 28 0.948 0.399 7.471 1.00 0.00 N ATOM 438 CA ALA A 28 1.098 -0.341 8.721 1.00 0.00 C ATOM 439 C ALA A 28 0.461 -1.734 8.573 1.00 0.00 C ATOM 440 O ALA A 28 1.040 -2.742 8.992 1.00 0.00 O ATOM 441 CB ALA A 28 0.478 0.448 9.888 1.00 0.00 C ATOM 0 H ALA A 28 0.403 1.256 7.569 1.00 0.00 H new ATOM 0 HA ALA A 28 2.157 -0.472 8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.598 -0.116 10.813 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.979 1.411 9.983 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.583 0.609 9.696 1.00 0.00 H new ATOM 447 N LYS A 29 -0.711 -1.804 7.924 1.00 0.00 N ATOM 448 CA LYS A 29 -1.454 -3.040 7.671 1.00 0.00 C ATOM 449 C LYS A 29 -0.639 -3.999 6.798 1.00 0.00 C ATOM 450 O LYS A 29 -0.737 -5.200 7.023 1.00 0.00 O ATOM 451 CB LYS A 29 -2.828 -2.730 7.045 1.00 0.00 C ATOM 452 CG LYS A 29 -3.872 -2.211 8.059 1.00 0.00 C ATOM 453 CD LYS A 29 -4.958 -1.387 7.345 1.00 0.00 C ATOM 454 CE LYS A 29 -6.099 -0.906 8.248 1.00 0.00 C ATOM 455 NZ LYS A 29 -7.203 -1.880 8.354 1.00 0.00 N ATOM 0 H LYS A 29 -1.178 -0.977 7.552 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.630 -3.538 8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.699 -1.987 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.213 -3.633 6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.330 -3.052 8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.380 -1.598 8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.489 -0.519 6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.380 -1.989 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.705 -0.702 9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.489 0.035 7.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.065 -1.395 8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.376 -2.311 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.947 -2.621 9.037 1.00 0.00 H new ATOM 469 N ILE A 30 0.132 -3.534 5.803 1.00 0.00 N ATOM 470 CA ILE A 30 0.932 -4.463 4.994 1.00 0.00 C ATOM 471 C ILE A 30 2.216 -4.816 5.752 1.00 0.00 C ATOM 472 O ILE A 30 2.667 -5.962 5.668 1.00 0.00 O ATOM 473 CB ILE A 30 1.178 -3.966 3.552 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.018 -4.945 2.704 1.00 0.00 C ATOM 475 CG2 ILE A 30 1.833 -2.589 3.486 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.433 -6.359 2.573 1.00 0.00 C ATOM 0 H ILE A 30 0.218 -2.551 5.545 1.00 0.00 H new ATOM 0 HA ILE A 30 0.359 -5.379 4.852 1.00 0.00 H new ATOM 0 HB ILE A 30 0.174 -3.900 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.140 -4.525 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.013 -5.019 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.976 -2.304 2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.192 -1.857 3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.799 -2.621 3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.094 -6.971 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.338 -6.807 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.451 -6.304 2.104 1.00 0.00 H new ATOM 488 N GLN A 31 2.809 -3.876 6.505 1.00 0.00 N ATOM 489 CA GLN A 31 4.022 -4.141 7.282 1.00 0.00 C ATOM 490 C GLN A 31 3.760 -5.318 8.224 1.00 0.00 C ATOM 491 O GLN A 31 4.647 -6.146 8.419 1.00 0.00 O ATOM 492 CB GLN A 31 4.457 -2.894 8.065 1.00 0.00 C ATOM 493 CG GLN A 31 5.402 -1.990 7.269 1.00 0.00 C ATOM 494 CD GLN A 31 5.663 -0.706 8.053 1.00 0.00 C ATOM 495 OE1 GLN A 31 5.957 -0.732 9.247 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.497 0.445 7.434 1.00 0.00 N ATOM 0 H GLN A 31 2.462 -2.921 6.590 1.00 0.00 H new ATOM 0 HA GLN A 31 4.837 -4.396 6.605 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.573 -2.324 8.351 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.949 -3.204 8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.342 -2.508 7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.964 -1.753 6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.253 0.461 6.444 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.612 1.320 7.945 1.00 0.00 H new ATOM 505 N ASP A 32 2.525 -5.456 8.720 1.00 0.00 N ATOM 506 CA ASP A 32 2.078 -6.526 9.611 1.00 0.00 C ATOM 507 C ASP A 32 2.368 -7.921 9.039 1.00 0.00 C ATOM 508 O ASP A 32 2.578 -8.862 9.802 1.00 0.00 O ATOM 509 CB ASP A 32 0.574 -6.366 9.857 1.00 0.00 C ATOM 510 CG ASP A 32 0.034 -7.359 10.880 1.00 0.00 C ATOM 511 OD1 ASP A 32 -1.003 -8.008 10.594 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.562 -7.401 12.009 1.00 0.00 O ATOM 0 H ASP A 32 1.780 -4.795 8.500 1.00 0.00 H new ATOM 0 HA ASP A 32 2.632 -6.443 10.546 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.373 -5.351 10.201 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.041 -6.495 8.915 1.00 0.00 H new ATOM 517 N LYS A 33 2.432 -8.062 7.709 1.00 0.00 N ATOM 518 CA LYS A 33 2.714 -9.318 7.010 1.00 0.00 C ATOM 519 C LYS A 33 4.060 -9.284 6.285 1.00 0.00 C ATOM 520 O LYS A 33 4.612 -10.346 6.005 1.00 0.00 O ATOM 521 CB LYS A 33 1.590 -9.610 5.997 1.00 0.00 C ATOM 522 CG LYS A 33 0.326 -10.159 6.676 1.00 0.00 C ATOM 523 CD LYS A 33 -0.826 -10.324 5.670 1.00 0.00 C ATOM 524 CE LYS A 33 -1.926 -11.300 6.115 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.418 -11.056 7.486 1.00 0.00 N ATOM 0 H LYS A 33 2.284 -7.280 7.072 1.00 0.00 H new ATOM 0 HA LYS A 33 2.762 -10.108 7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.343 -8.696 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.946 -10.329 5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.548 -11.121 7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.019 -9.485 7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.276 -9.348 5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.416 -10.667 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.763 -11.231 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.543 -12.318 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.203 -11.706 7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.647 -11.216 8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.751 -10.074 7.566 1.00 0.00 H new ATOM 539 N GLU A 34 4.601 -8.104 5.963 1.00 0.00 N ATOM 540 CA GLU A 34 5.876 -7.977 5.255 1.00 0.00 C ATOM 541 C GLU A 34 7.088 -8.012 6.202 1.00 0.00 C ATOM 542 O GLU A 34 8.150 -8.474 5.792 1.00 0.00 O ATOM 543 CB GLU A 34 5.820 -6.723 4.358 1.00 0.00 C ATOM 544 CG GLU A 34 6.807 -6.728 3.178 1.00 0.00 C ATOM 545 CD GLU A 34 6.642 -7.917 2.234 1.00 0.00 C ATOM 546 OE1 GLU A 34 7.267 -8.961 2.501 1.00 0.00 O ATOM 547 OE2 GLU A 34 5.847 -7.856 1.265 1.00 0.00 O ATOM 0 H GLU A 34 4.165 -7.210 6.187 1.00 0.00 H new ATOM 0 HA GLU A 34 6.024 -8.847 4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.808 -6.619 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.016 -5.845 4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.682 -5.806 2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.824 -6.726 3.569 1.00 0.00 H new ATOM 554 N GLY A 35 6.945 -7.562 7.455 1.00 0.00 N ATOM 555 CA GLY A 35 8.009 -7.573 8.458 1.00 0.00 C ATOM 556 C GLY A 35 9.273 -6.812 8.056 1.00 0.00 C ATOM 557 O GLY A 35 10.373 -7.358 8.159 1.00 0.00 O ATOM 0 H GLY A 35 6.069 -7.173 7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.622 -7.145 9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.277 -8.608 8.673 1.00 0.00 H new ATOM 561 N ILE A 36 9.121 -5.582 7.565 1.00 0.00 N ATOM 562 CA ILE A 36 10.189 -4.675 7.125 1.00 0.00 C ATOM 563 C ILE A 36 9.817 -3.252 7.603 1.00 0.00 C ATOM 564 O ILE A 36 8.667 -3.053 8.012 1.00 0.00 O ATOM 565 CB ILE A 36 10.439 -4.844 5.600 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.183 -4.751 4.716 1.00 0.00 C ATOM 567 CG2 ILE A 36 11.119 -6.196 5.320 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.587 -3.355 4.594 1.00 0.00 C ATOM 0 H ILE A 36 8.197 -5.165 7.456 1.00 0.00 H new ATOM 0 HA ILE A 36 11.156 -4.907 7.571 1.00 0.00 H new ATOM 0 HB ILE A 36 11.076 -4.000 5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.431 -5.113 3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.423 -5.421 5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.289 -6.303 4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.073 -6.239 5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.477 -7.005 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.707 -3.390 3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.302 -2.994 5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.325 -2.681 4.160 1.00 0.00 H new ATOM 580 N PRO A 37 10.714 -2.250 7.556 1.00 0.00 N ATOM 581 CA PRO A 37 10.405 -0.907 8.040 1.00 0.00 C ATOM 582 C PRO A 37 9.685 -0.027 7.006 1.00 0.00 C ATOM 583 O PRO A 37 9.653 -0.377 5.826 1.00 0.00 O ATOM 584 CB PRO A 37 11.783 -0.326 8.378 1.00 0.00 C ATOM 585 CG PRO A 37 12.672 -0.915 7.285 1.00 0.00 C ATOM 586 CD PRO A 37 12.098 -2.314 7.094 1.00 0.00 C ATOM 0 HA PRO A 37 9.715 -0.941 8.883 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.780 0.764 8.354 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.114 -0.622 9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.624 -0.330 6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.718 -0.946 7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.146 -2.616 6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.666 -3.049 7.664 1.00 0.00 H new ATOM 594 N PRO A 38 9.159 1.152 7.402 1.00 0.00 N ATOM 595 CA PRO A 38 8.495 2.089 6.498 1.00 0.00 C ATOM 596 C PRO A 38 9.434 2.582 5.383 1.00 0.00 C ATOM 597 O PRO A 38 8.977 2.967 4.305 1.00 0.00 O ATOM 598 CB PRO A 38 8.049 3.275 7.362 1.00 0.00 C ATOM 599 CG PRO A 38 8.053 2.739 8.789 1.00 0.00 C ATOM 600 CD PRO A 38 9.111 1.642 8.766 1.00 0.00 C ATOM 0 HA PRO A 38 7.657 1.599 6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.729 4.120 7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.058 3.624 7.073 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.302 3.519 9.508 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.076 2.346 9.071 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.082 2.031 9.074 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.855 0.840 9.459 1.00 0.00 H new ATOM 608 N ASP A 39 10.738 2.658 5.662 1.00 0.00 N ATOM 609 CA ASP A 39 11.758 3.091 4.706 1.00 0.00 C ATOM 610 C ASP A 39 11.970 1.985 3.668 1.00 0.00 C ATOM 611 O ASP A 39 11.548 0.852 3.881 1.00 0.00 O ATOM 612 CB ASP A 39 13.082 3.348 5.441 1.00 0.00 C ATOM 613 CG ASP A 39 13.112 4.713 6.117 1.00 0.00 C ATOM 614 OD1 ASP A 39 13.426 5.713 5.430 1.00 0.00 O ATOM 615 OD2 ASP A 39 12.880 4.790 7.343 1.00 0.00 O ATOM 0 H ASP A 39 11.120 2.416 6.576 1.00 0.00 H new ATOM 0 HA ASP A 39 11.431 4.008 4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.236 2.571 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.908 3.277 4.733 1.00 0.00 H new ATOM 620 N GLN A 40 12.644 2.282 2.547 1.00 0.00 N ATOM 621 CA GLN A 40 12.930 1.306 1.486 1.00 0.00 C ATOM 622 C GLN A 40 11.671 0.674 0.872 1.00 0.00 C ATOM 623 O GLN A 40 11.821 -0.163 -0.004 1.00 0.00 O ATOM 624 CB GLN A 40 13.887 0.232 2.063 1.00 0.00 C ATOM 625 CG GLN A 40 14.753 -0.525 1.043 1.00 0.00 C ATOM 626 CD GLN A 40 15.445 -1.721 1.699 1.00 0.00 C ATOM 627 OE1 GLN A 40 14.804 -2.639 2.205 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.766 -1.749 1.731 1.00 0.00 N ATOM 0 H GLN A 40 13.009 3.214 2.350 1.00 0.00 H new ATOM 0 HA GLN A 40 13.403 1.832 0.657 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.548 0.714 2.783 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.292 -0.496 2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.132 -0.868 0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.501 0.148 0.623 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.303 -0.989 1.312 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.249 -2.530 2.174 1.00 0.00 H new ATOM 637 N ASN A 41 10.440 1.086 1.186 1.00 0.00 N ATOM 638 CA ASN A 41 9.253 0.449 0.613 1.00 0.00 C ATOM 639 C ASN A 41 8.172 1.475 0.287 1.00 0.00 C ATOM 640 O ASN A 41 8.099 2.500 0.962 1.00 0.00 O ATOM 641 CB ASN A 41 8.750 -0.563 1.652 1.00 0.00 C ATOM 642 CG ASN A 41 8.100 -1.772 1.013 1.00 0.00 C ATOM 643 OD1 ASN A 41 7.184 -1.650 0.206 1.00 0.00 O ATOM 644 ND2 ASN A 41 8.571 -2.965 1.334 1.00 0.00 N ATOM 0 H ASN A 41 10.241 1.852 1.829 1.00 0.00 H new ATOM 0 HA ASN A 41 9.501 -0.044 -0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.585 -0.888 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.033 -0.075 2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.172 -3.802 0.909 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.333 -3.048 2.007 1.00 0.00 H new ATOM 651 N ARG A 42 7.355 1.249 -0.750 1.00 0.00 N ATOM 652 CA ARG A 42 6.275 2.133 -1.200 1.00 0.00 C ATOM 653 C ARG A 42 5.155 1.320 -1.848 1.00 0.00 C ATOM 654 O ARG A 42 5.394 0.192 -2.284 1.00 0.00 O ATOM 655 CB ARG A 42 6.819 3.131 -2.235 1.00 0.00 C ATOM 656 CG ARG A 42 7.955 3.983 -1.664 1.00 0.00 C ATOM 657 CD ARG A 42 8.388 5.071 -2.626 1.00 0.00 C ATOM 658 NE ARG A 42 9.528 5.783 -2.046 1.00 0.00 N ATOM 659 CZ ARG A 42 10.244 6.740 -2.634 1.00 0.00 C ATOM 660 NH1 ARG A 42 9.894 7.219 -3.825 1.00 0.00 N ATOM 661 NH2 ARG A 42 11.337 7.178 -2.025 1.00 0.00 N ATOM 0 H ARG A 42 7.433 0.408 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 42 5.883 2.665 -0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.177 2.588 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.012 3.781 -2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.633 4.436 -0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.807 3.343 -1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.663 4.638 -3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.565 5.762 -2.811 1.00 0.00 H new ATOM 0 HE ARG A 42 9.801 5.521 -1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.068 6.853 -4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.451 7.952 -4.264 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.613 6.783 -1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.902 7.910 -2.455 1.00 0.00 H new ATOM 675 N LEU A 43 3.958 1.905 -1.968 1.00 0.00 N ATOM 676 CA LEU A 43 2.777 1.290 -2.581 1.00 0.00 C ATOM 677 C LEU A 43 2.374 2.125 -3.792 1.00 0.00 C ATOM 678 O LEU A 43 2.541 3.347 -3.797 1.00 0.00 O ATOM 679 CB LEU A 43 1.568 1.237 -1.617 1.00 0.00 C ATOM 680 CG LEU A 43 1.446 0.044 -0.655 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.411 -1.304 -1.379 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.551 0.062 0.387 1.00 0.00 C ATOM 0 H LEU A 43 3.780 2.851 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 43 3.040 0.268 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.583 2.146 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.661 1.269 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 43 0.487 0.158 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.324 -2.108 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.555 -1.333 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.329 -1.433 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.438 -0.794 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.520 0.010 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.489 0.983 0.967 1.00 0.00 H new ATOM 694 N ILE A 44 1.748 1.479 -4.777 1.00 0.00 N ATOM 695 CA ILE A 44 1.281 2.085 -6.020 1.00 0.00 C ATOM 696 C ILE A 44 -0.092 1.476 -6.362 1.00 0.00 C ATOM 697 O ILE A 44 -0.207 0.258 -6.291 1.00 0.00 O ATOM 698 CB ILE A 44 2.287 1.754 -7.160 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.790 2.005 -6.885 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.878 2.428 -8.478 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.239 3.466 -6.769 1.00 0.00 C ATOM 0 H ILE A 44 1.546 0.481 -4.726 1.00 0.00 H new ATOM 0 HA ILE A 44 1.202 3.167 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 44 2.210 0.669 -7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.056 1.494 -5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.364 1.536 -7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.601 2.177 -9.254 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.890 2.077 -8.775 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.853 3.509 -8.341 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.311 3.503 -6.576 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.019 3.989 -7.700 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.706 3.946 -5.948 1.00 0.00 H new ATOM 713 N PHE A 45 -1.117 2.248 -6.742 1.00 0.00 N ATOM 714 CA PHE A 45 -2.465 1.800 -7.136 1.00 0.00 C ATOM 715 C PHE A 45 -2.657 2.288 -8.572 1.00 0.00 C ATOM 716 O PHE A 45 -3.004 3.451 -8.805 1.00 0.00 O ATOM 717 CB PHE A 45 -3.578 2.374 -6.240 1.00 0.00 C ATOM 718 CG PHE A 45 -4.970 2.209 -6.837 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.783 3.332 -7.082 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.420 0.930 -7.219 1.00 0.00 C ATOM 721 CE1 PHE A 45 -7.043 3.173 -7.684 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.667 0.780 -7.856 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.492 1.899 -8.063 1.00 0.00 C ATOM 0 H PHE A 45 -1.026 3.263 -6.787 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.537 0.717 -7.038 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.545 1.881 -5.269 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.387 3.433 -6.066 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.438 4.318 -6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.807 0.062 -7.023 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.669 4.036 -7.856 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.990 -0.196 -8.186 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.467 1.779 -8.512 1.00 0.00 H new ATOM 733 N ALA A 46 -2.486 1.386 -9.539 1.00 0.00 N ATOM 734 CA ALA A 46 -2.627 1.652 -10.962 1.00 0.00 C ATOM 735 C ALA A 46 -1.813 2.898 -11.328 1.00 0.00 C ATOM 736 O ALA A 46 -2.353 3.942 -11.692 1.00 0.00 O ATOM 737 CB ALA A 46 -4.119 1.679 -11.317 1.00 0.00 C ATOM 0 H ALA A 46 -2.237 0.417 -9.341 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.206 0.861 -11.583 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.236 1.878 -12.382 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.568 0.715 -11.076 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.615 2.463 -10.745 1.00 0.00 H new ATOM 743 N GLY A 47 -0.504 2.819 -11.101 1.00 0.00 N ATOM 744 CA GLY A 47 0.466 3.874 -11.360 1.00 0.00 C ATOM 745 C GLY A 47 0.444 5.026 -10.347 1.00 0.00 C ATOM 746 O GLY A 47 1.450 5.732 -10.219 1.00 0.00 O ATOM 0 H GLY A 47 -0.074 1.979 -10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.464 3.437 -11.371 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.285 4.280 -12.355 1.00 0.00 H new ATOM 750 N LYS A 48 -0.652 5.251 -9.611 1.00 0.00 N ATOM 751 CA LYS A 48 -0.753 6.320 -8.628 1.00 0.00 C ATOM 752 C LYS A 48 0.128 5.935 -7.455 1.00 0.00 C ATOM 753 O LYS A 48 -0.044 4.850 -6.909 1.00 0.00 O ATOM 754 CB LYS A 48 -2.221 6.512 -8.211 1.00 0.00 C ATOM 755 CG LYS A 48 -2.496 7.834 -7.486 1.00 0.00 C ATOM 756 CD LYS A 48 -2.183 9.057 -8.364 1.00 0.00 C ATOM 757 CE LYS A 48 -2.688 10.356 -7.740 1.00 0.00 C ATOM 758 NZ LYS A 48 -4.146 10.522 -7.907 1.00 0.00 N ATOM 0 H LYS A 48 -1.498 4.686 -9.687 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.417 7.273 -9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.850 6.459 -9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.515 5.686 -7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.542 7.867 -7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.896 7.879 -6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.106 9.125 -8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.640 8.925 -9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.441 10.368 -6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.173 11.201 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.446 11.416 -7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.380 10.537 -8.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.640 9.730 -7.450 1.00 0.00 H new ATOM 772 N GLN A 49 1.082 6.782 -7.095 1.00 0.00 N ATOM 773 CA GLN A 49 2.003 6.513 -5.997 1.00 0.00 C ATOM 774 C GLN A 49 1.256 6.812 -4.700 1.00 0.00 C ATOM 775 O GLN A 49 0.492 7.779 -4.658 1.00 0.00 O ATOM 776 CB GLN A 49 3.271 7.370 -6.124 1.00 0.00 C ATOM 777 CG GLN A 49 3.893 7.453 -7.532 1.00 0.00 C ATOM 778 CD GLN A 49 3.285 8.603 -8.337 1.00 0.00 C ATOM 779 OE1 GLN A 49 3.614 9.764 -8.116 1.00 0.00 O ATOM 780 NE2 GLN A 49 2.356 8.324 -9.241 1.00 0.00 N ATOM 0 H GLN A 49 1.240 7.678 -7.557 1.00 0.00 H new ATOM 0 HA GLN A 49 2.330 5.473 -6.013 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.037 8.381 -5.792 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.022 6.976 -5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.971 7.593 -7.449 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.734 6.512 -8.059 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.090 7.355 -9.417 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.907 9.078 -9.761 1.00 0.00 H new ATOM 789 N LEU A 50 1.499 6.051 -3.632 1.00 0.00 N ATOM 790 CA LEU A 50 0.793 6.224 -2.365 1.00 0.00 C ATOM 791 C LEU A 50 1.744 6.346 -1.184 1.00 0.00 C ATOM 792 O LEU A 50 2.735 5.613 -1.102 1.00 0.00 O ATOM 793 CB LEU A 50 -0.108 4.993 -2.152 1.00 0.00 C ATOM 794 CG LEU A 50 -1.018 4.638 -3.346 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.701 3.303 -3.100 1.00 0.00 C ATOM 796 CD2 LEU A 50 -2.072 5.710 -3.604 1.00 0.00 C ATOM 0 H LEU A 50 2.189 5.300 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 50 0.216 7.147 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.524 4.133 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.734 5.166 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.383 4.575 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.341 3.060 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.947 2.525 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.305 3.365 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.689 5.417 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.701 5.822 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.581 6.658 -3.823 1.00 0.00 H new ATOM 808 N GLU A 51 1.457 7.276 -0.277 1.00 0.00 N ATOM 809 CA GLU A 51 2.207 7.543 0.939 1.00 0.00 C ATOM 810 C GLU A 51 1.279 8.241 1.928 1.00 0.00 C ATOM 811 O GLU A 51 0.175 8.659 1.569 1.00 0.00 O ATOM 812 CB GLU A 51 3.443 8.396 0.656 1.00 0.00 C ATOM 813 CG GLU A 51 3.150 9.883 0.453 1.00 0.00 C ATOM 814 CD GLU A 51 4.272 10.505 -0.364 1.00 0.00 C ATOM 815 OE1 GLU A 51 5.380 10.694 0.186 1.00 0.00 O ATOM 816 OE2 GLU A 51 4.094 10.717 -1.590 1.00 0.00 O ATOM 0 H GLU A 51 0.652 7.894 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 51 2.563 6.603 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.143 8.286 1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.939 8.011 -0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.196 10.012 -0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.065 10.384 1.417 1.00 0.00 H new ATOM 823 N ASP A 52 1.736 8.348 3.168 1.00 0.00 N ATOM 824 CA ASP A 52 1.028 8.965 4.272 1.00 0.00 C ATOM 825 C ASP A 52 0.794 10.464 4.097 1.00 0.00 C ATOM 826 O ASP A 52 1.448 11.146 3.305 1.00 0.00 O ATOM 827 CB ASP A 52 1.715 8.618 5.604 1.00 0.00 C ATOM 828 CG ASP A 52 3.225 8.834 5.610 1.00 0.00 C ATOM 829 OD1 ASP A 52 3.713 9.788 6.263 1.00 0.00 O ATOM 830 OD2 ASP A 52 3.926 8.007 4.978 1.00 0.00 O ATOM 0 H ASP A 52 2.652 7.990 3.440 1.00 0.00 H new ATOM 0 HA ASP A 52 0.024 8.541 4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.271 9.221 6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.509 7.575 5.844 1.00 0.00 H new ATOM 835 N GLY A 53 -0.173 10.975 4.862 1.00 0.00 N ATOM 836 CA GLY A 53 -0.615 12.366 4.891 1.00 0.00 C ATOM 837 C GLY A 53 -1.973 12.564 4.221 1.00 0.00 C ATOM 838 O GLY A 53 -2.426 13.704 4.097 1.00 0.00 O ATOM 0 H GLY A 53 -0.697 10.393 5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.672 12.704 5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.127 12.990 4.392 1.00 0.00 H new ATOM 842 N ARG A 54 -2.618 11.487 3.762 1.00 0.00 N ATOM 843 CA ARG A 54 -3.910 11.413 3.077 1.00 0.00 C ATOM 844 C ARG A 54 -4.646 10.139 3.520 1.00 0.00 C ATOM 845 O ARG A 54 -4.169 9.439 4.419 1.00 0.00 O ATOM 846 CB ARG A 54 -3.609 11.309 1.578 1.00 0.00 C ATOM 847 CG ARG A 54 -2.801 12.449 0.942 1.00 0.00 C ATOM 848 CD ARG A 54 -3.686 13.526 0.311 1.00 0.00 C ATOM 849 NE ARG A 54 -3.615 13.451 -1.156 1.00 0.00 N ATOM 850 CZ ARG A 54 -4.481 13.948 -2.042 1.00 0.00 C ATOM 851 NH1 ARG A 54 -5.669 14.421 -1.677 1.00 0.00 N ATOM 852 NH2 ARG A 54 -4.128 13.946 -3.323 1.00 0.00 N ATOM 0 H ARG A 54 -2.209 10.559 3.872 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.526 12.283 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.071 10.377 1.406 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.558 11.232 1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.167 12.906 1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.139 12.037 0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.717 13.397 0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.366 14.512 0.647 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.808 12.961 -1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.942 14.411 -0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.307 14.794 -2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.221 13.573 -3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.765 14.318 -4.028 1.00 0.00 H new ATOM 866 N THR A 55 -5.760 9.804 2.870 1.00 0.00 N ATOM 867 CA THR A 55 -6.570 8.616 3.135 1.00 0.00 C ATOM 868 C THR A 55 -6.723 7.788 1.860 1.00 0.00 C ATOM 869 O THR A 55 -6.358 8.221 0.762 1.00 0.00 O ATOM 870 CB THR A 55 -7.967 8.991 3.675 1.00 0.00 C ATOM 871 OG1 THR A 55 -8.707 9.790 2.761 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.946 9.667 5.038 1.00 0.00 C ATOM 0 H THR A 55 -6.138 10.376 2.114 1.00 0.00 H new ATOM 0 HA THR A 55 -6.055 8.029 3.896 1.00 0.00 H new ATOM 0 HB THR A 55 -8.468 8.031 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.234 10.635 2.608 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.966 9.898 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.489 8.999 5.768 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.368 10.589 4.978 1.00 0.00 H new ATOM 880 N LEU A 56 -7.313 6.601 1.999 1.00 0.00 N ATOM 881 CA LEU A 56 -7.584 5.691 0.890 1.00 0.00 C ATOM 882 C LEU A 56 -8.524 6.386 -0.110 1.00 0.00 C ATOM 883 O LEU A 56 -8.439 6.172 -1.320 1.00 0.00 O ATOM 884 CB LEU A 56 -8.253 4.436 1.475 1.00 0.00 C ATOM 885 CG LEU A 56 -8.016 3.155 0.660 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.709 1.968 1.563 1.00 0.00 C ATOM 887 CD2 LEU A 56 -9.247 2.797 -0.160 1.00 0.00 C ATOM 0 H LEU A 56 -7.621 6.240 2.902 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.668 5.415 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.884 4.281 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.326 4.612 1.550 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.166 3.357 0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.547 1.079 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.812 2.177 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.548 1.797 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.054 1.887 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.094 2.636 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.476 3.612 -0.847 1.00 0.00 H new ATOM 899 N SER A 57 -9.421 7.229 0.418 1.00 0.00 N ATOM 900 CA SER A 57 -10.399 7.992 -0.337 1.00 0.00 C ATOM 901 C SER A 57 -9.724 9.124 -1.121 1.00 0.00 C ATOM 902 O SER A 57 -10.070 9.340 -2.279 1.00 0.00 O ATOM 903 CB SER A 57 -11.415 8.533 0.666 1.00 0.00 C ATOM 904 OG SER A 57 -12.605 9.003 0.072 1.00 0.00 O ATOM 0 H SER A 57 -9.480 7.398 1.422 1.00 0.00 H new ATOM 0 HA SER A 57 -10.896 7.363 -1.075 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.662 7.747 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.957 9.344 1.232 1.00 0.00 H new ATOM 0 HG SER A 57 -13.210 9.333 0.769 1.00 0.00 H new ATOM 910 N ASP A 58 -8.743 9.820 -0.529 1.00 0.00 N ATOM 911 CA ASP A 58 -8.016 10.924 -1.175 1.00 0.00 C ATOM 912 C ASP A 58 -7.344 10.426 -2.440 1.00 0.00 C ATOM 913 O ASP A 58 -7.411 11.063 -3.495 1.00 0.00 O ATOM 914 CB ASP A 58 -6.879 11.440 -0.294 1.00 0.00 C ATOM 915 CG ASP A 58 -7.308 12.432 0.764 1.00 0.00 C ATOM 916 OD1 ASP A 58 -7.480 11.986 1.921 1.00 0.00 O ATOM 917 OD2 ASP A 58 -7.381 13.640 0.441 1.00 0.00 O ATOM 0 H ASP A 58 -8.428 9.631 0.422 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.749 11.708 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.400 10.591 0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.127 11.908 -0.930 1.00 0.00 H new ATOM 922 N TYR A 59 -6.643 9.300 -2.320 1.00 0.00 N ATOM 923 CA TYR A 59 -5.954 8.675 -3.435 1.00 0.00 C ATOM 924 C TYR A 59 -6.947 7.964 -4.363 1.00 0.00 C ATOM 925 O TYR A 59 -6.533 7.399 -5.379 1.00 0.00 O ATOM 926 CB TYR A 59 -4.838 7.770 -2.925 1.00 0.00 C ATOM 927 CG TYR A 59 -3.592 8.556 -2.559 1.00 0.00 C ATOM 928 CD1 TYR A 59 -2.767 9.068 -3.579 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.237 8.758 -1.216 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.599 9.777 -3.254 1.00 0.00 C ATOM 931 CE2 TYR A 59 -2.046 9.437 -0.890 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.231 9.975 -1.907 1.00 0.00 C ATOM 933 OH TYR A 59 -0.122 10.717 -1.620 1.00 0.00 O ATOM 0 H TYR A 59 -6.540 8.797 -1.439 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.476 9.443 -4.044 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.188 7.219 -2.052 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.591 7.033 -3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.033 8.915 -4.614 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.879 8.391 -0.429 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.977 10.174 -4.043 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.756 9.546 0.145 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.001 10.763 -0.649 1.00 0.00 H new ATOM 943 N ASN A 60 -8.245 8.018 -4.043 1.00 0.00 N ATOM 944 CA ASN A 60 -9.376 7.445 -4.751 1.00 0.00 C ATOM 945 C ASN A 60 -9.071 6.011 -5.180 1.00 0.00 C ATOM 946 O ASN A 60 -8.976 5.686 -6.366 1.00 0.00 O ATOM 947 CB ASN A 60 -9.788 8.391 -5.884 1.00 0.00 C ATOM 948 CG ASN A 60 -10.906 7.789 -6.681 1.00 0.00 C ATOM 949 OD1 ASN A 60 -11.977 7.457 -6.181 1.00 0.00 O ATOM 950 ND2 ASN A 60 -10.619 7.526 -7.933 1.00 0.00 N ATOM 0 H ASN A 60 -8.549 8.511 -3.203 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.245 7.355 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.101 9.350 -5.471 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.934 8.587 -6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.294 7.033 -8.518 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.721 7.814 -8.322 1.00 0.00 H new ATOM 957 N ILE A 61 -8.898 5.150 -4.184 1.00 0.00 N ATOM 958 CA ILE A 61 -8.583 3.740 -4.337 1.00 0.00 C ATOM 959 C ILE A 61 -9.884 2.971 -4.123 1.00 0.00 C ATOM 960 O ILE A 61 -10.503 3.084 -3.069 1.00 0.00 O ATOM 961 CB ILE A 61 -7.469 3.334 -3.341 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.210 4.222 -3.474 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.111 1.847 -3.509 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.196 3.987 -2.354 1.00 0.00 C ATOM 0 H ILE A 61 -8.978 5.431 -3.207 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.193 3.512 -5.329 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.861 3.490 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.734 4.027 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.509 5.270 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.327 1.579 -2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.994 1.237 -3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.758 1.670 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.334 4.638 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.658 4.209 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.871 2.947 -2.369 1.00 0.00 H new ATOM 976 N GLN A 62 -10.343 2.233 -5.130 1.00 0.00 N ATOM 977 CA GLN A 62 -11.561 1.438 -5.060 1.00 0.00 C ATOM 978 C GLN A 62 -11.256 0.143 -4.307 1.00 0.00 C ATOM 979 O GLN A 62 -10.084 -0.224 -4.164 1.00 0.00 O ATOM 980 CB GLN A 62 -12.026 1.109 -6.491 1.00 0.00 C ATOM 981 CG GLN A 62 -12.633 2.306 -7.238 1.00 0.00 C ATOM 982 CD GLN A 62 -11.657 3.463 -7.424 1.00 0.00 C ATOM 983 OE1 GLN A 62 -10.775 3.441 -8.278 1.00 0.00 O ATOM 984 NE2 GLN A 62 -11.767 4.503 -6.618 1.00 0.00 N ATOM 0 H GLN A 62 -9.870 2.171 -6.031 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.346 1.989 -4.542 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.177 0.730 -7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.764 0.308 -6.448 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.983 1.975 -8.216 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.506 2.661 -6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.499 4.523 -5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.120 5.287 -6.705 1.00 0.00 H new ATOM 993 N LYS A 63 -12.286 -0.545 -3.808 1.00 0.00 N ATOM 994 CA LYS A 63 -12.066 -1.814 -3.116 1.00 0.00 C ATOM 995 C LYS A 63 -11.637 -2.834 -4.166 1.00 0.00 C ATOM 996 O LYS A 63 -11.870 -2.643 -5.364 1.00 0.00 O ATOM 997 CB LYS A 63 -13.305 -2.271 -2.331 1.00 0.00 C ATOM 998 CG LYS A 63 -14.549 -2.427 -3.213 1.00 0.00 C ATOM 999 CD LYS A 63 -15.777 -2.898 -2.430 1.00 0.00 C ATOM 1000 CE LYS A 63 -16.911 -3.045 -3.449 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.184 -3.482 -2.853 1.00 0.00 N ATOM 0 H LYS A 63 -13.261 -0.251 -3.869 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.285 -1.701 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.090 -3.222 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.514 -1.550 -1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.772 -1.473 -3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.337 -3.140 -4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.579 -3.846 -1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.042 -2.179 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.063 -2.090 -3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.611 -3.763 -4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.907 -3.561 -3.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.054 -4.408 -2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.492 -2.787 -2.144 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.054 -3.937 -3.714 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.557 -5.032 -4.538 1.00 0.00 C ATOM 1017 C GLU A 64 -9.605 -4.525 -5.634 1.00 0.00 C ATOM 1018 O GLU A 64 -9.561 -5.054 -6.746 1.00 0.00 O ATOM 1019 CB GLU A 64 -11.730 -5.915 -4.995 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.250 -6.725 -3.801 1.00 0.00 C ATOM 1021 CD GLU A 64 -13.431 -7.602 -4.185 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -14.584 -7.137 -4.033 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -13.214 -8.767 -4.592 1.00 0.00 O ATOM 0 H GLU A 64 -10.908 -4.100 -2.718 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.921 -5.697 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.528 -5.296 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.407 -6.586 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.447 -7.348 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.547 -6.045 -3.002 1.00 0.00 H new ATOM 1030 N SER A 65 -8.883 -3.441 -5.327 1.00 0.00 N ATOM 1031 CA SER A 65 -7.891 -2.818 -6.190 1.00 0.00 C ATOM 1032 C SER A 65 -6.654 -3.723 -6.208 1.00 0.00 C ATOM 1033 O SER A 65 -6.622 -4.713 -5.478 1.00 0.00 O ATOM 1034 CB SER A 65 -7.579 -1.408 -5.681 1.00 0.00 C ATOM 1035 OG SER A 65 -7.689 -1.293 -4.283 1.00 0.00 O ATOM 0 H SER A 65 -8.983 -2.960 -4.433 1.00 0.00 H new ATOM 0 HA SER A 65 -8.258 -2.709 -7.210 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.569 -1.133 -5.985 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.258 -0.698 -6.153 1.00 0.00 H new ATOM 0 HG SER A 65 -8.449 -0.716 -4.061 1.00 0.00 H new ATOM 1041 N THR A 66 -5.631 -3.425 -7.014 1.00 0.00 N ATOM 1042 CA THR A 66 -4.448 -4.268 -7.065 1.00 0.00 C ATOM 1043 C THR A 66 -3.300 -3.299 -7.015 1.00 0.00 C ATOM 1044 O THR A 66 -3.049 -2.566 -7.979 1.00 0.00 O ATOM 1045 CB THR A 66 -4.430 -5.198 -8.289 1.00 0.00 C ATOM 1046 OG1 THR A 66 -5.674 -5.840 -8.462 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.365 -6.282 -8.090 1.00 0.00 C ATOM 0 H THR A 66 -5.604 -2.614 -7.632 1.00 0.00 H new ATOM 0 HA THR A 66 -4.404 -4.974 -6.236 1.00 0.00 H new ATOM 0 HB THR A 66 -4.213 -4.589 -9.167 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.634 -6.424 -9.248 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.351 -6.942 -8.957 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.387 -5.814 -7.974 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.598 -6.861 -7.197 1.00 0.00 H new ATOM 1055 N LEU A 67 -2.676 -3.226 -5.848 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.565 -2.344 -5.600 1.00 0.00 C ATOM 1057 C LEU A 67 -0.260 -3.069 -5.907 1.00 0.00 C ATOM 1058 O LEU A 67 -0.219 -4.302 -5.898 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.614 -1.843 -4.149 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.736 -0.815 -3.903 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.151 -1.405 -3.820 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.475 -0.061 -2.604 1.00 0.00 C ATOM 0 H LEU A 67 -2.938 -3.790 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.625 -1.473 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.755 -2.693 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.655 -1.393 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.710 -0.164 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.869 -0.604 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.390 -1.909 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.199 -2.121 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.272 0.663 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.446 -0.766 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.520 0.460 -2.671 1.00 0.00 H new ATOM 1074 N HIS A 68 0.826 -2.323 -6.095 1.00 0.00 N ATOM 1075 CA HIS A 68 2.152 -2.836 -6.400 1.00 0.00 C ATOM 1076 C HIS A 68 3.136 -2.350 -5.339 1.00 0.00 C ATOM 1077 O HIS A 68 3.271 -1.138 -5.145 1.00 0.00 O ATOM 1078 CB HIS A 68 2.578 -2.366 -7.801 1.00 0.00 C ATOM 1079 CG HIS A 68 3.509 -3.322 -8.494 1.00 0.00 C ATOM 1080 ND1 HIS A 68 4.884 -3.360 -8.389 1.00 0.00 N ATOM 1081 CD2 HIS A 68 3.115 -4.287 -9.374 1.00 0.00 C ATOM 1082 CE1 HIS A 68 5.310 -4.350 -9.197 1.00 0.00 C ATOM 1083 NE2 HIS A 68 4.272 -4.926 -9.824 1.00 0.00 N ATOM 0 H HIS A 68 0.801 -1.305 -6.036 1.00 0.00 H new ATOM 0 HA HIS A 68 2.141 -3.926 -6.393 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.689 -2.227 -8.416 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.063 -1.394 -7.718 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.101 -4.514 -9.667 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.343 -4.640 -9.323 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.320 -5.687 -10.501 1.00 0.00 H new ATOM 1090 N LEU A 69 3.751 -3.281 -4.605 1.00 0.00 N ATOM 1091 CA LEU A 69 4.749 -2.965 -3.591 1.00 0.00 C ATOM 1092 C LEU A 69 6.027 -2.755 -4.386 1.00 0.00 C ATOM 1093 O LEU A 69 6.361 -3.605 -5.213 1.00 0.00 O ATOM 1094 CB LEU A 69 4.941 -4.130 -2.601 1.00 0.00 C ATOM 1095 CG LEU A 69 3.947 -4.094 -1.428 1.00 0.00 C ATOM 1096 CD1 LEU A 69 3.848 -5.465 -0.759 1.00 0.00 C ATOM 1097 CD2 LEU A 69 4.364 -3.075 -0.364 1.00 0.00 C ATOM 0 H LEU A 69 3.566 -4.280 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 69 4.458 -2.101 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.831 -5.074 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.958 -4.102 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 69 2.982 -3.806 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.139 -5.416 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.506 -6.201 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.828 -5.757 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.637 -3.079 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.347 -3.339 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.406 -2.081 -0.809 1.00 0.00 H new ATOM 1109 N VAL A 70 6.716 -1.641 -4.181 1.00 0.00 N ATOM 1110 CA VAL A 70 7.961 -1.311 -4.867 1.00 0.00 C ATOM 1111 C VAL A 70 8.940 -0.726 -3.852 1.00 0.00 C ATOM 1112 O VAL A 70 8.550 -0.443 -2.715 1.00 0.00 O ATOM 1113 CB VAL A 70 7.687 -0.362 -6.052 1.00 0.00 C ATOM 1114 CG1 VAL A 70 6.783 -1.011 -7.104 1.00 0.00 C ATOM 1115 CG2 VAL A 70 7.074 0.979 -5.626 1.00 0.00 C ATOM 0 H VAL A 70 6.420 -0.924 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 70 8.413 -2.207 -5.293 1.00 0.00 H new ATOM 0 HB VAL A 70 8.667 -0.163 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.615 -0.310 -7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.262 -1.911 -7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.828 -1.275 -6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.907 1.599 -6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.124 0.801 -5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.755 1.491 -4.946 1.00 0.00 H new ATOM 1125 N LEU A 71 10.213 -0.575 -4.219 1.00 0.00 N ATOM 1126 CA LEU A 71 11.237 -0.014 -3.341 1.00 0.00 C ATOM 1127 C LEU A 71 11.910 1.143 -4.049 1.00 0.00 C ATOM 1128 O LEU A 71 11.855 1.246 -5.280 1.00 0.00 O ATOM 1129 CB LEU A 71 12.236 -1.082 -2.853 1.00 0.00 C ATOM 1130 CG LEU A 71 13.274 -1.621 -3.853 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.540 -0.751 -3.871 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.687 -3.030 -3.423 1.00 0.00 C ATOM 0 H LEU A 71 10.563 -0.840 -5.139 1.00 0.00 H new ATOM 0 HA LEU A 71 10.765 0.363 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.778 -0.667 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.661 -1.930 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 71 12.821 -1.616 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.252 -1.160 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.278 0.267 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.989 -0.742 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.423 -3.423 -4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.121 -2.993 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.811 -3.679 -3.414 1.00 0.00 H new