USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc=-0.000813 X(o=-0.00081,f=-0.0039) USER MOD Single : A 1 ASN N :NH3+ -172:sc= 0 (180deg=-0.0231) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.22 X(o=-1.2,f=-0.92!) USER MOD Single : A 9 GLN : amide:sc= -2.34 K(o=-2.3,f=-5!) USER MOD Single : A 14 ASN : amide:sc= -0.0627 X(o=-0.063,f=-0.033) USER MOD Single : A 15 THR OG1 : rot 97:sc= 0.359 USER MOD Single : A 18 THR OG1 : rot -78:sc= 0.911 USER MOD Single : A 21 MET CE :methyl -172:sc= -8.24! (180deg=-8.27!) USER MOD Single : A 22 MET CE :methyl -133:sc= -3.72 (180deg=-6.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00274 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.712 USER MOD Single : A 42 SER OG : rot 180:sc= -0.261 USER MOD Single : A 43 MET CE :methyl -109:sc= -0.817 (180deg=-4.63!) USER MOD Single : A 44 GLN : amide:sc=-0.000374 K(o=-0.00037,f=-2.1!) USER MOD Single : A 46 ASN : amide:sc= -0.972 K(o=-0.97,f=-1.8!) USER MOD Single : A 53 THR OG1 : rot 160:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -166:sc= -1.58 (180deg=-1.94) USER MOD Single : A 59 MET CE :methyl -174:sc= -0.343 (180deg=-0.474) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -14.919 -11.379 -5.803 1.00 0.00 N ATOM 2 CA ASN A 1 -14.486 -10.436 -4.733 1.00 0.00 C ATOM 3 C ASN A 1 -13.212 -9.721 -5.171 1.00 0.00 C ATOM 4 O ASN A 1 -13.198 -8.504 -5.355 1.00 0.00 O ATOM 5 CB ASN A 1 -14.216 -11.216 -3.445 1.00 0.00 C ATOM 6 CG ASN A 1 -15.531 -11.756 -2.892 1.00 0.00 C ATOM 7 OD1 ASN A 1 -15.920 -12.885 -3.191 1.00 0.00 O ATOM 8 ND2 ASN A 1 -16.245 -11.009 -2.095 1.00 0.00 N ATOM 0 H1 ASN A 1 -15.855 -11.765 -5.567 1.00 0.00 H new ATOM 0 H2 ASN A 1 -14.972 -10.874 -6.711 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.233 -12.157 -5.879 1.00 0.00 H new ATOM 0 HA ASN A 1 -15.272 -9.702 -4.555 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -13.528 -12.038 -3.642 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.738 -10.569 -2.709 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -17.126 -11.361 -1.720 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -15.922 -10.074 -1.848 1.00 0.00 H new ATOM 15 N GLN A 2 -12.141 -10.494 -5.336 1.00 0.00 N ATOM 16 CA GLN A 2 -10.858 -9.930 -5.755 1.00 0.00 C ATOM 17 C GLN A 2 -10.363 -8.909 -4.735 1.00 0.00 C ATOM 18 O GLN A 2 -10.861 -7.785 -4.667 1.00 0.00 O ATOM 19 CB GLN A 2 -10.990 -9.246 -7.118 1.00 0.00 C ATOM 20 CG GLN A 2 -9.598 -8.962 -7.685 1.00 0.00 C ATOM 21 CD GLN A 2 -9.118 -10.169 -8.483 1.00 0.00 C ATOM 22 OE1 GLN A 2 -9.462 -10.324 -9.654 1.00 0.00 O ATOM 23 NE2 GLN A 2 -8.333 -11.043 -7.914 1.00 0.00 N ATOM 0 H GLN A 2 -12.134 -11.503 -5.188 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.142 -10.749 -5.827 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.550 -9.882 -7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.550 -8.316 -7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.627 -8.079 -8.323 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.901 -8.747 -6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.047 -10.916 -6.943 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.006 -11.853 -8.440 1.00 0.00 H new ATOM 32 N ALA A 3 -9.373 -9.314 -3.943 1.00 0.00 N ATOM 33 CA ALA A 3 -8.813 -8.427 -2.927 1.00 0.00 C ATOM 34 C ALA A 3 -7.855 -7.427 -3.567 1.00 0.00 C ATOM 35 O ALA A 3 -7.333 -7.656 -4.657 1.00 0.00 O ATOM 36 CB ALA A 3 -8.059 -9.234 -1.868 1.00 0.00 C ATOM 0 H ALA A 3 -8.946 -10.240 -3.984 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.636 -7.892 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.648 -8.557 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.743 -9.934 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.247 -9.787 -2.341 1.00 0.00 H new ATOM 42 N SER A 4 -7.631 -6.313 -2.874 1.00 0.00 N ATOM 43 CA SER A 4 -6.733 -5.280 -3.382 1.00 0.00 C ATOM 44 C SER A 4 -5.584 -5.045 -2.406 1.00 0.00 C ATOM 45 O SER A 4 -5.417 -5.779 -1.432 1.00 0.00 O ATOM 46 CB SER A 4 -7.489 -3.968 -3.588 1.00 0.00 C ATOM 47 OG SER A 4 -8.847 -4.253 -3.903 1.00 0.00 O ATOM 0 H SER A 4 -8.054 -6.104 -1.970 1.00 0.00 H new ATOM 0 HA SER A 4 -6.334 -5.622 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.433 -3.357 -2.687 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.030 -3.393 -4.392 1.00 0.00 H new ATOM 0 HG SER A 4 -9.335 -3.414 -4.034 1.00 0.00 H new ATOM 53 N VAL A 5 -4.792 -4.011 -2.681 1.00 0.00 N ATOM 54 CA VAL A 5 -3.656 -3.685 -1.822 1.00 0.00 C ATOM 55 C VAL A 5 -3.894 -2.361 -1.102 1.00 0.00 C ATOM 56 O VAL A 5 -3.480 -1.301 -1.571 1.00 0.00 O ATOM 57 CB VAL A 5 -2.370 -3.579 -2.648 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.169 -3.434 -1.712 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.201 -4.844 -3.495 1.00 0.00 C ATOM 0 H VAL A 5 -4.913 -3.391 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.551 -4.484 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.431 -2.707 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.255 -3.359 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.286 -2.535 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.109 -4.305 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.286 -4.769 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.142 -5.714 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.055 -4.950 -4.164 1.00 0.00 H new ATOM 69 N VAL A 6 -4.564 -2.435 0.044 1.00 0.00 N ATOM 70 CA VAL A 6 -4.850 -1.235 0.827 1.00 0.00 C ATOM 71 C VAL A 6 -3.714 -0.974 1.817 1.00 0.00 C ATOM 72 O VAL A 6 -3.041 -1.899 2.272 1.00 0.00 O ATOM 73 CB VAL A 6 -6.167 -1.401 1.600 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.467 -0.137 2.416 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.310 -1.640 0.610 1.00 0.00 C ATOM 0 H VAL A 6 -4.916 -3.302 0.449 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.940 -0.391 0.143 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.074 -2.250 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.403 -0.268 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.658 0.039 3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.554 0.717 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.246 -1.758 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.390 -0.789 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.110 -2.543 0.034 1.00 0.00 H new ATOM 85 N ALA A 7 -3.517 0.299 2.152 1.00 0.00 N ATOM 86 CA ALA A 7 -2.470 0.671 3.098 1.00 0.00 C ATOM 87 C ALA A 7 -2.808 0.134 4.483 1.00 0.00 C ATOM 88 O ALA A 7 -3.972 -0.098 4.808 1.00 0.00 O ATOM 89 CB ALA A 7 -2.324 2.192 3.174 1.00 0.00 C ATOM 0 H ALA A 7 -4.061 1.081 1.788 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.530 0.240 2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.538 2.447 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.064 2.582 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.266 2.632 3.501 1.00 0.00 H new ATOM 95 N ASN A 8 -1.777 -0.069 5.297 1.00 0.00 N ATOM 96 CA ASN A 8 -1.978 -0.590 6.647 1.00 0.00 C ATOM 97 C ASN A 8 -1.572 0.436 7.710 1.00 0.00 C ATOM 98 O ASN A 8 -1.958 0.320 8.873 1.00 0.00 O ATOM 99 CB ASN A 8 -1.158 -1.865 6.844 1.00 0.00 C ATOM 100 CG ASN A 8 -1.715 -2.661 8.022 1.00 0.00 C ATOM 101 OD1 ASN A 8 -2.436 -2.122 8.863 1.00 0.00 O ATOM 102 ND2 ASN A 8 -1.419 -3.927 8.135 1.00 0.00 N ATOM 0 H ASN A 8 -0.805 0.116 5.051 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.040 -0.807 6.762 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.187 -2.470 5.938 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.113 -1.612 7.025 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.784 -4.468 8.919 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.822 -4.375 7.440 1.00 0.00 H new ATOM 109 N GLN A 9 -0.793 1.442 7.310 1.00 0.00 N ATOM 110 CA GLN A 9 -0.357 2.468 8.254 1.00 0.00 C ATOM 111 C GLN A 9 -0.170 3.804 7.542 1.00 0.00 C ATOM 112 O GLN A 9 -0.384 3.916 6.335 1.00 0.00 O ATOM 113 CB GLN A 9 0.965 2.065 8.911 1.00 0.00 C ATOM 114 CG GLN A 9 2.000 1.752 7.828 1.00 0.00 C ATOM 115 CD GLN A 9 3.397 1.780 8.436 1.00 0.00 C ATOM 116 OE1 GLN A 9 3.995 0.732 8.684 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.961 2.928 8.696 1.00 0.00 N ATOM 0 H GLN A 9 -0.456 1.567 6.355 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.127 2.569 9.019 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.325 2.870 9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.816 1.194 9.549 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.801 0.773 7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.929 2.481 7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.467 3.797 8.491 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.895 2.956 9.104 1.00 0.00 H new ATOM 126 N LEU A 10 0.229 4.817 8.305 1.00 0.00 N ATOM 127 CA LEU A 10 0.440 6.147 7.742 1.00 0.00 C ATOM 128 C LEU A 10 1.684 6.163 6.860 1.00 0.00 C ATOM 129 O LEU A 10 2.811 6.227 7.350 1.00 0.00 O ATOM 130 CB LEU A 10 0.605 7.181 8.857 1.00 0.00 C ATOM 131 CG LEU A 10 0.607 8.587 8.255 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.768 8.890 7.658 1.00 0.00 C ATOM 133 CD2 LEU A 10 0.922 9.610 9.350 1.00 0.00 C ATOM 0 H LEU A 10 0.411 4.744 9.306 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.433 6.399 7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.206 7.085 9.579 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.535 7.004 9.397 1.00 0.00 H new ATOM 0 HG LEU A 10 1.364 8.645 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.766 9.892 7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.995 8.162 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.525 8.832 8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.924 10.612 8.922 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.165 9.551 10.132 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.902 9.396 9.777 1.00 0.00 H new ATOM 145 N ILE A 11 1.465 6.108 5.549 1.00 0.00 N ATOM 146 CA ILE A 11 2.572 6.121 4.597 1.00 0.00 C ATOM 147 C ILE A 11 2.798 7.547 4.071 1.00 0.00 C ATOM 148 O ILE A 11 1.970 8.064 3.321 1.00 0.00 O ATOM 149 CB ILE A 11 2.269 5.197 3.415 1.00 0.00 C ATOM 150 CG1 ILE A 11 1.898 3.806 3.936 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.504 5.088 2.519 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.201 3.014 2.827 1.00 0.00 C ATOM 0 H ILE A 11 0.539 6.054 5.124 1.00 0.00 H new ATOM 0 HA ILE A 11 3.468 5.772 5.109 1.00 0.00 H new ATOM 0 HB ILE A 11 1.438 5.607 2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.793 3.279 4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.242 3.894 4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.286 4.430 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.771 6.077 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.335 4.680 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.937 2.024 3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.297 3.539 2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.872 2.915 1.974 1.00 0.00 H new ATOM 164 N PRO A 12 3.909 8.210 4.449 1.00 0.00 N ATOM 165 CA PRO A 12 4.185 9.582 3.982 1.00 0.00 C ATOM 166 C PRO A 12 4.773 9.620 2.574 1.00 0.00 C ATOM 167 O PRO A 12 5.399 8.663 2.119 1.00 0.00 O ATOM 168 CB PRO A 12 5.197 10.080 5.007 1.00 0.00 C ATOM 169 CG PRO A 12 5.872 8.850 5.602 1.00 0.00 C ATOM 170 CD PRO A 12 4.951 7.654 5.345 1.00 0.00 C ATOM 0 HA PRO A 12 3.282 10.188 3.912 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.932 10.734 4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.703 10.663 5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.848 8.688 5.144 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.039 8.983 6.671 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.486 6.828 4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.522 7.271 6.271 1.00 0.00 H new ATOM 178 N ILE A 13 4.559 10.741 1.890 1.00 0.00 N ATOM 179 CA ILE A 13 5.067 10.904 0.531 1.00 0.00 C ATOM 180 C ILE A 13 6.595 10.820 0.516 1.00 0.00 C ATOM 181 O ILE A 13 7.256 11.083 1.521 1.00 0.00 O ATOM 182 CB ILE A 13 4.606 12.252 -0.049 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.050 12.356 -1.512 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.204 13.409 0.762 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.516 13.652 -2.127 1.00 0.00 C ATOM 0 H ILE A 13 4.042 11.543 2.250 1.00 0.00 H new ATOM 0 HA ILE A 13 4.669 10.099 -0.086 1.00 0.00 H new ATOM 0 HB ILE A 13 3.519 12.312 0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.138 12.335 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.683 11.498 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.871 14.358 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.875 13.335 1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.292 13.357 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.835 13.720 -3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.427 13.655 -2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.905 14.506 -1.572 1.00 0.00 H new ATOM 197 N ASN A 14 7.144 10.448 -0.639 1.00 0.00 N ATOM 198 CA ASN A 14 8.594 10.331 -0.785 1.00 0.00 C ATOM 199 C ASN A 14 9.150 9.296 0.192 1.00 0.00 C ATOM 200 O ASN A 14 10.205 9.492 0.798 1.00 0.00 O ATOM 201 CB ASN A 14 9.270 11.681 -0.532 1.00 0.00 C ATOM 202 CG ASN A 14 9.073 12.584 -1.745 1.00 0.00 C ATOM 203 OD1 ASN A 14 8.457 13.645 -1.644 1.00 0.00 O ATOM 204 ND2 ASN A 14 9.566 12.224 -2.898 1.00 0.00 N ATOM 0 H ASN A 14 6.613 10.224 -1.480 1.00 0.00 H new ATOM 0 HA ASN A 14 8.804 10.010 -1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.848 12.150 0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.334 11.537 -0.341 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.441 12.822 -3.715 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.077 11.345 -2.982 1.00 0.00 H new ATOM 211 N THR A 15 8.428 8.189 0.337 1.00 0.00 N ATOM 212 CA THR A 15 8.856 7.125 1.242 1.00 0.00 C ATOM 213 C THR A 15 8.611 5.758 0.610 1.00 0.00 C ATOM 214 O THR A 15 7.575 5.523 -0.013 1.00 0.00 O ATOM 215 CB THR A 15 8.093 7.207 2.566 1.00 0.00 C ATOM 216 OG1 THR A 15 8.098 8.551 3.030 1.00 0.00 O ATOM 217 CG2 THR A 15 8.767 6.307 3.601 1.00 0.00 C ATOM 0 H THR A 15 7.553 8.005 -0.154 1.00 0.00 H new ATOM 0 HA THR A 15 9.922 7.253 1.431 1.00 0.00 H new ATOM 0 HB THR A 15 7.065 6.877 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.265 8.993 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.223 6.366 4.544 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.764 5.277 3.244 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.795 6.635 3.754 1.00 0.00 H new ATOM 225 N ALA A 16 9.577 4.861 0.779 1.00 0.00 N ATOM 226 CA ALA A 16 9.461 3.515 0.221 1.00 0.00 C ATOM 227 C ALA A 16 8.404 2.715 0.977 1.00 0.00 C ATOM 228 O ALA A 16 8.169 2.935 2.164 1.00 0.00 O ATOM 229 CB ALA A 16 10.800 2.781 0.308 1.00 0.00 C ATOM 0 H ALA A 16 10.441 5.037 1.292 1.00 0.00 H new ATOM 0 HA ALA A 16 9.167 3.608 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.695 1.781 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.554 3.333 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.107 2.706 1.351 1.00 0.00 H new ATOM 235 N LEU A 17 7.771 1.781 0.271 1.00 0.00 N ATOM 236 CA LEU A 17 6.738 0.949 0.882 1.00 0.00 C ATOM 237 C LEU A 17 7.354 -0.314 1.475 1.00 0.00 C ATOM 238 O LEU A 17 8.493 -0.668 1.172 1.00 0.00 O ATOM 239 CB LEU A 17 5.687 0.552 -0.155 1.00 0.00 C ATOM 240 CG LEU A 17 5.150 1.807 -0.846 1.00 0.00 C ATOM 241 CD1 LEU A 17 4.222 1.404 -1.994 1.00 0.00 C ATOM 242 CD2 LEU A 17 4.373 2.651 0.167 1.00 0.00 C ATOM 0 H LEU A 17 7.952 1.583 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 17 6.264 1.529 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.124 -0.122 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.872 0.012 0.327 1.00 0.00 H new ATOM 0 HG LEU A 17 5.983 2.388 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.841 2.299 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.775 0.803 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.388 0.823 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.989 3.546 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.541 2.069 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.035 2.940 0.984 1.00 0.00 H new ATOM 254 N THR A 18 6.585 -0.990 2.323 1.00 0.00 N ATOM 255 CA THR A 18 7.060 -2.216 2.956 1.00 0.00 C ATOM 256 C THR A 18 5.892 -3.154 3.244 1.00 0.00 C ATOM 257 O THR A 18 4.730 -2.805 3.030 1.00 0.00 O ATOM 258 CB THR A 18 7.778 -1.897 4.269 1.00 0.00 C ATOM 259 OG1 THR A 18 6.843 -1.378 5.204 1.00 0.00 O ATOM 260 CG2 THR A 18 8.876 -0.863 4.014 1.00 0.00 C ATOM 0 H THR A 18 5.639 -0.713 2.586 1.00 0.00 H new ATOM 0 HA THR A 18 7.755 -2.701 2.271 1.00 0.00 H new ATOM 0 HB THR A 18 8.225 -2.807 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.662 -0.437 4.998 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.387 -0.636 4.950 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.593 -1.263 3.297 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.432 0.048 3.613 1.00 0.00 H new ATOM 268 N LEU A 19 6.213 -4.348 3.732 1.00 0.00 N ATOM 269 CA LEU A 19 5.181 -5.332 4.048 1.00 0.00 C ATOM 270 C LEU A 19 4.259 -4.802 5.141 1.00 0.00 C ATOM 271 O LEU A 19 3.064 -5.096 5.164 1.00 0.00 O ATOM 272 CB LEU A 19 5.815 -6.641 4.523 1.00 0.00 C ATOM 273 CG LEU A 19 6.786 -7.154 3.460 1.00 0.00 C ATOM 274 CD1 LEU A 19 7.944 -7.891 4.137 1.00 0.00 C ATOM 275 CD2 LEU A 19 6.052 -8.113 2.520 1.00 0.00 C ATOM 0 H LEU A 19 7.168 -4.656 3.916 1.00 0.00 H new ATOM 0 HA LEU A 19 4.604 -5.517 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.341 -6.482 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.041 -7.384 4.712 1.00 0.00 H new ATOM 0 HG LEU A 19 7.177 -6.312 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.636 -8.256 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.467 -7.209 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.555 -8.733 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.744 -8.479 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.661 -8.955 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.228 -7.589 2.036 1.00 0.00 H new ATOM 287 N VAL A 20 4.829 -4.012 6.046 1.00 0.00 N ATOM 288 CA VAL A 20 4.053 -3.438 7.143 1.00 0.00 C ATOM 289 C VAL A 20 3.096 -2.368 6.619 1.00 0.00 C ATOM 290 O VAL A 20 2.040 -2.126 7.201 1.00 0.00 O ATOM 291 CB VAL A 20 4.979 -2.811 8.188 1.00 0.00 C ATOM 292 CG1 VAL A 20 4.162 -2.392 9.412 1.00 0.00 C ATOM 293 CG2 VAL A 20 6.038 -3.833 8.611 1.00 0.00 C ATOM 0 H VAL A 20 5.816 -3.756 6.043 1.00 0.00 H new ATOM 0 HA VAL A 20 3.481 -4.243 7.604 1.00 0.00 H new ATOM 0 HB VAL A 20 5.467 -1.936 7.759 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.823 -1.946 10.155 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.407 -1.664 9.114 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.673 -3.267 9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.698 -3.387 9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.549 -4.708 9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.623 -4.132 7.741 1.00 0.00 H new ATOM 303 N MET A 21 3.478 -1.727 5.516 1.00 0.00 N ATOM 304 CA MET A 21 2.644 -0.681 4.926 1.00 0.00 C ATOM 305 C MET A 21 1.805 -1.238 3.777 1.00 0.00 C ATOM 306 O MET A 21 1.463 -0.518 2.839 1.00 0.00 O ATOM 307 CB MET A 21 3.516 0.457 4.398 1.00 0.00 C ATOM 308 CG MET A 21 4.264 1.105 5.566 1.00 0.00 C ATOM 309 SD MET A 21 5.864 1.728 4.994 1.00 0.00 S ATOM 310 CE MET A 21 5.229 2.948 3.818 1.00 0.00 C ATOM 0 H MET A 21 4.349 -1.910 5.017 1.00 0.00 H new ATOM 0 HA MET A 21 1.980 -0.305 5.704 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.225 0.076 3.663 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.899 1.198 3.890 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.673 1.921 5.982 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.410 0.378 6.365 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.056 3.360 3.239 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.518 2.469 3.145 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.731 3.751 4.361 1.00 0.00 H new ATOM 320 N MET A 22 1.475 -2.524 3.859 1.00 0.00 N ATOM 321 CA MET A 22 0.673 -3.161 2.818 1.00 0.00 C ATOM 322 C MET A 22 -0.162 -4.294 3.407 1.00 0.00 C ATOM 323 O MET A 22 0.301 -5.046 4.264 1.00 0.00 O ATOM 324 CB MET A 22 1.573 -3.725 1.716 1.00 0.00 C ATOM 325 CG MET A 22 2.157 -2.573 0.895 1.00 0.00 C ATOM 326 SD MET A 22 2.446 -3.125 -0.804 1.00 0.00 S ATOM 327 CE MET A 22 3.675 -4.397 -0.423 1.00 0.00 C ATOM 0 H MET A 22 1.746 -3.140 4.626 1.00 0.00 H new ATOM 0 HA MET A 22 0.012 -2.405 2.394 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.376 -4.317 2.155 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.002 -4.392 1.071 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.472 -1.725 0.901 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.091 -2.232 1.341 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.523 -4.297 -1.100 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.015 -4.278 0.606 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.227 -5.383 -0.545 1.00 0.00 H new ATOM 337 N ARG A 23 -1.401 -4.407 2.935 1.00 0.00 N ATOM 338 CA ARG A 23 -2.298 -5.451 3.420 1.00 0.00 C ATOM 339 C ARG A 23 -3.247 -5.894 2.311 1.00 0.00 C ATOM 340 O ARG A 23 -3.226 -5.356 1.205 1.00 0.00 O ATOM 341 CB ARG A 23 -3.118 -4.946 4.609 1.00 0.00 C ATOM 342 CG ARG A 23 -3.847 -3.659 4.217 1.00 0.00 C ATOM 343 CD ARG A 23 -5.146 -3.544 5.016 1.00 0.00 C ATOM 344 NE ARG A 23 -4.871 -3.540 6.450 1.00 0.00 N ATOM 345 CZ ARG A 23 -5.346 -4.497 7.242 1.00 0.00 C ATOM 346 NH1 ARG A 23 -6.544 -4.975 7.043 1.00 0.00 N ATOM 347 NH2 ARG A 23 -4.614 -4.958 8.219 1.00 0.00 N ATOM 0 H ARG A 23 -1.803 -3.795 2.225 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.689 -6.298 3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.838 -5.705 4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.465 -4.761 5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.211 -2.795 4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.064 -3.662 3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.670 -2.629 4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.805 -4.376 4.769 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.306 -2.791 6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.117 -4.615 6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.908 -5.709 7.651 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.678 -4.584 8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.978 -5.692 8.827 1.00 0.00 H new ATOM 361 N SER A 24 -4.081 -6.882 2.622 1.00 0.00 N ATOM 362 CA SER A 24 -5.039 -7.394 1.647 1.00 0.00 C ATOM 363 C SER A 24 -6.466 -7.151 2.124 1.00 0.00 C ATOM 364 O SER A 24 -6.941 -7.795 3.059 1.00 0.00 O ATOM 365 CB SER A 24 -4.832 -8.893 1.433 1.00 0.00 C ATOM 366 OG SER A 24 -4.325 -9.472 2.629 1.00 0.00 O ATOM 0 H SER A 24 -4.114 -7.341 3.533 1.00 0.00 H new ATOM 0 HA SER A 24 -4.877 -6.868 0.706 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.774 -9.366 1.157 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.137 -9.062 0.610 1.00 0.00 H new ATOM 0 HG SER A 24 -4.193 -10.434 2.496 1.00 0.00 H new ATOM 372 N GLU A 25 -7.146 -6.213 1.470 1.00 0.00 N ATOM 373 CA GLU A 25 -8.523 -5.890 1.833 1.00 0.00 C ATOM 374 C GLU A 25 -9.321 -5.491 0.596 1.00 0.00 C ATOM 375 O GLU A 25 -8.796 -4.861 -0.322 1.00 0.00 O ATOM 376 CB GLU A 25 -8.555 -4.739 2.840 1.00 0.00 C ATOM 377 CG GLU A 25 -9.944 -4.656 3.476 1.00 0.00 C ATOM 378 CD GLU A 25 -10.000 -5.565 4.698 1.00 0.00 C ATOM 379 OE1 GLU A 25 -9.251 -5.319 5.630 1.00 0.00 O ATOM 380 OE2 GLU A 25 -10.792 -6.493 4.685 1.00 0.00 O ATOM 0 H GLU A 25 -6.771 -5.668 0.694 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.969 -6.777 2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.799 -4.894 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.314 -3.800 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.162 -3.628 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.704 -4.953 2.754 1.00 0.00 H new ATOM 387 N VAL A 26 -10.597 -5.867 0.583 1.00 0.00 N ATOM 388 CA VAL A 26 -11.463 -5.544 -0.548 1.00 0.00 C ATOM 389 C VAL A 26 -11.858 -4.070 -0.510 1.00 0.00 C ATOM 390 O VAL A 26 -12.467 -3.600 0.451 1.00 0.00 O ATOM 391 CB VAL A 26 -12.732 -6.401 -0.518 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.525 -6.190 -1.810 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.348 -7.878 -0.396 1.00 0.00 C ATOM 0 H VAL A 26 -11.050 -6.389 1.333 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.910 -5.751 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.343 -6.110 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.428 -6.801 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.800 -5.139 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.913 -6.480 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.251 -8.488 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.735 -8.166 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.784 -8.033 0.524 1.00 0.00 H new ATOM 403 N VAL A 27 -11.503 -3.348 -1.570 1.00 0.00 N ATOM 404 CA VAL A 27 -11.823 -1.926 -1.653 1.00 0.00 C ATOM 405 C VAL A 27 -12.145 -1.537 -3.091 1.00 0.00 C ATOM 406 O VAL A 27 -11.859 -2.282 -4.030 1.00 0.00 O ATOM 407 CB VAL A 27 -10.647 -1.083 -1.158 1.00 0.00 C ATOM 408 CG1 VAL A 27 -10.436 -1.326 0.336 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.382 -1.477 -1.922 1.00 0.00 C ATOM 0 H VAL A 27 -10.999 -3.719 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.692 -1.738 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.861 -0.028 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.598 -0.725 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.337 -1.046 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.222 -2.381 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.543 -0.877 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.169 -2.533 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.531 -1.303 -2.988 1.00 0.00 H new ATOM 419 N THR A 28 -12.743 -0.361 -3.255 1.00 0.00 N ATOM 420 CA THR A 28 -13.101 0.122 -4.588 1.00 0.00 C ATOM 421 C THR A 28 -12.444 1.482 -4.856 1.00 0.00 C ATOM 422 O THR A 28 -12.294 2.290 -3.940 1.00 0.00 O ATOM 423 CB THR A 28 -14.619 0.268 -4.714 1.00 0.00 C ATOM 424 OG1 THR A 28 -14.932 0.881 -5.957 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.149 1.133 -3.569 1.00 0.00 C ATOM 0 H THR A 28 -12.988 0.270 -2.492 1.00 0.00 H new ATOM 0 HA THR A 28 -12.745 -0.605 -5.318 1.00 0.00 H new ATOM 0 HB THR A 28 -15.084 -0.717 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 28 -15.904 0.974 -6.040 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.230 1.236 -3.661 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.909 0.662 -2.616 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.686 2.119 -3.613 1.00 0.00 H new ATOM 433 N PRO A 29 -12.043 1.759 -6.111 1.00 0.00 N ATOM 434 CA PRO A 29 -12.195 0.832 -7.256 1.00 0.00 C ATOM 435 C PRO A 29 -11.094 -0.226 -7.300 1.00 0.00 C ATOM 436 O PRO A 29 -10.155 -0.200 -6.505 1.00 0.00 O ATOM 437 CB PRO A 29 -12.094 1.771 -8.450 1.00 0.00 C ATOM 438 CG PRO A 29 -11.323 3.001 -7.985 1.00 0.00 C ATOM 439 CD PRO A 29 -11.401 3.042 -6.455 1.00 0.00 C ATOM 0 HA PRO A 29 -13.121 0.259 -7.214 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.581 1.285 -9.280 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.086 2.049 -8.807 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.285 2.950 -8.315 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.750 3.907 -8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.412 3.130 -6.004 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.988 3.891 -6.105 1.00 0.00 H new ATOM 447 N VAL A 30 -11.222 -1.158 -8.241 1.00 0.00 N ATOM 448 CA VAL A 30 -10.232 -2.223 -8.382 1.00 0.00 C ATOM 449 C VAL A 30 -8.865 -1.638 -8.726 1.00 0.00 C ATOM 450 O VAL A 30 -8.643 -1.151 -9.834 1.00 0.00 O ATOM 451 CB VAL A 30 -10.648 -3.203 -9.483 1.00 0.00 C ATOM 452 CG1 VAL A 30 -9.706 -4.409 -9.481 1.00 0.00 C ATOM 453 CG2 VAL A 30 -12.081 -3.679 -9.230 1.00 0.00 C ATOM 0 H VAL A 30 -11.991 -1.198 -8.910 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.172 -2.753 -7.431 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.595 -2.702 -10.449 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.004 -5.105 -10.265 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.685 -4.073 -9.662 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.757 -4.909 -8.514 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.376 -4.376 -10.014 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.133 -4.178 -8.262 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.755 -2.822 -9.234 1.00 0.00 H new ATOM 463 N GLY A 31 -7.952 -1.695 -7.760 1.00 0.00 N ATOM 464 CA GLY A 31 -6.605 -1.169 -7.967 1.00 0.00 C ATOM 465 C GLY A 31 -5.603 -2.307 -8.123 1.00 0.00 C ATOM 466 O GLY A 31 -5.726 -3.144 -9.017 1.00 0.00 O ATOM 0 H GLY A 31 -8.117 -2.095 -6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.588 -0.538 -8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.321 -0.540 -7.123 1.00 0.00 H new ATOM 470 N ILE A 32 -4.609 -2.333 -7.238 1.00 0.00 N ATOM 471 CA ILE A 32 -3.591 -3.377 -7.285 1.00 0.00 C ATOM 472 C ILE A 32 -4.073 -4.617 -6.517 1.00 0.00 C ATOM 473 O ILE A 32 -4.684 -4.487 -5.457 1.00 0.00 O ATOM 474 CB ILE A 32 -2.285 -2.877 -6.660 1.00 0.00 C ATOM 475 CG1 ILE A 32 -1.869 -1.564 -7.332 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.184 -3.920 -6.864 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.742 -0.909 -6.530 1.00 0.00 C ATOM 0 H ILE A 32 -4.488 -1.652 -6.489 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.415 -3.638 -8.329 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.436 -2.712 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.538 -1.755 -8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.723 -0.890 -7.395 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.256 -3.561 -6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.477 -4.856 -6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.034 -4.086 -7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.448 0.024 -7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.088 -0.703 -5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.115 -1.582 -6.490 1.00 0.00 H new ATOM 489 N PRO A 33 -3.814 -5.833 -7.032 1.00 0.00 N ATOM 490 CA PRO A 33 -4.248 -7.067 -6.355 1.00 0.00 C ATOM 491 C PRO A 33 -3.281 -7.508 -5.257 1.00 0.00 C ATOM 492 O PRO A 33 -2.154 -7.022 -5.167 1.00 0.00 O ATOM 493 CB PRO A 33 -4.263 -8.076 -7.496 1.00 0.00 C ATOM 494 CG PRO A 33 -3.306 -7.560 -8.564 1.00 0.00 C ATOM 495 CD PRO A 33 -3.085 -6.067 -8.302 1.00 0.00 C ATOM 0 HA PRO A 33 -5.204 -6.949 -5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.953 -9.060 -7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.269 -8.185 -7.901 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.360 -8.100 -8.524 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.722 -7.717 -9.559 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.026 -5.827 -8.208 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.480 -5.454 -9.112 1.00 0.00 H new ATOM 503 N ALA A 34 -3.741 -8.438 -4.423 1.00 0.00 N ATOM 504 CA ALA A 34 -2.917 -8.947 -3.329 1.00 0.00 C ATOM 505 C ALA A 34 -1.772 -9.812 -3.859 1.00 0.00 C ATOM 506 O ALA A 34 -0.753 -9.988 -3.193 1.00 0.00 O ATOM 507 CB ALA A 34 -3.763 -9.782 -2.367 1.00 0.00 C ATOM 0 H ALA A 34 -4.672 -8.852 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.502 -8.087 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.134 -10.154 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.560 -9.164 -1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.199 -10.625 -2.904 1.00 0.00 H new ATOM 513 N GLU A 35 -1.946 -10.358 -5.060 1.00 0.00 N ATOM 514 CA GLU A 35 -0.913 -11.205 -5.651 1.00 0.00 C ATOM 515 C GLU A 35 0.360 -10.407 -5.957 1.00 0.00 C ATOM 516 O GLU A 35 1.411 -10.989 -6.224 1.00 0.00 O ATOM 517 CB GLU A 35 -1.420 -11.841 -6.947 1.00 0.00 C ATOM 518 CG GLU A 35 -1.904 -10.747 -7.904 1.00 0.00 C ATOM 519 CD GLU A 35 -1.544 -11.125 -9.337 1.00 0.00 C ATOM 520 OE1 GLU A 35 -0.383 -10.997 -9.689 1.00 0.00 O ATOM 521 OE2 GLU A 35 -2.435 -11.537 -10.062 1.00 0.00 O ATOM 0 H GLU A 35 -2.779 -10.232 -5.636 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.677 -11.981 -4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.624 -12.421 -7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.233 -12.533 -6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.982 -10.619 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.446 -9.793 -7.643 1.00 0.00 H new ATOM 528 N ASP A 36 0.265 -9.075 -5.928 1.00 0.00 N ATOM 529 CA ASP A 36 1.431 -8.242 -6.220 1.00 0.00 C ATOM 530 C ASP A 36 1.928 -7.512 -4.972 1.00 0.00 C ATOM 531 O ASP A 36 2.584 -6.477 -5.068 1.00 0.00 O ATOM 532 CB ASP A 36 1.091 -7.208 -7.296 1.00 0.00 C ATOM 533 CG ASP A 36 0.894 -7.912 -8.634 1.00 0.00 C ATOM 534 OD1 ASP A 36 1.641 -8.837 -8.910 1.00 0.00 O ATOM 535 OD2 ASP A 36 -0.001 -7.516 -9.363 1.00 0.00 O ATOM 0 H ASP A 36 -0.588 -8.560 -5.710 1.00 0.00 H new ATOM 0 HA ASP A 36 2.220 -8.905 -6.576 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.186 -6.666 -7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.892 -6.472 -7.374 1.00 0.00 H new ATOM 540 N ILE A 37 1.628 -8.064 -3.800 1.00 0.00 N ATOM 541 CA ILE A 37 2.074 -7.450 -2.552 1.00 0.00 C ATOM 542 C ILE A 37 3.612 -7.501 -2.438 1.00 0.00 C ATOM 543 O ILE A 37 4.233 -6.490 -2.111 1.00 0.00 O ATOM 544 CB ILE A 37 1.417 -8.144 -1.346 1.00 0.00 C ATOM 545 CG1 ILE A 37 -0.093 -7.909 -1.404 1.00 0.00 C ATOM 546 CG2 ILE A 37 1.954 -7.567 -0.028 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.813 -9.021 -0.638 1.00 0.00 C ATOM 0 H ILE A 37 1.087 -8.921 -3.687 1.00 0.00 H new ATOM 0 HA ILE A 37 1.768 -6.404 -2.556 1.00 0.00 H new ATOM 0 HB ILE A 37 1.646 -9.209 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.337 -6.938 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.429 -7.891 -2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.476 -8.072 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.032 -7.719 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.735 -6.500 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.889 -8.853 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.578 -9.985 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.485 -9.018 0.401 1.00 0.00 H new ATOM 559 N PRO A 38 4.257 -8.654 -2.707 1.00 0.00 N ATOM 560 CA PRO A 38 5.729 -8.744 -2.619 1.00 0.00 C ATOM 561 C PRO A 38 6.436 -8.103 -3.817 1.00 0.00 C ATOM 562 O PRO A 38 7.636 -7.834 -3.771 1.00 0.00 O ATOM 563 CB PRO A 38 5.971 -10.247 -2.583 1.00 0.00 C ATOM 564 CG PRO A 38 4.760 -10.906 -3.226 1.00 0.00 C ATOM 565 CD PRO A 38 3.595 -9.920 -3.111 1.00 0.00 C ATOM 0 HA PRO A 38 6.125 -8.209 -1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.882 -10.504 -3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.100 -10.593 -1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.961 -11.144 -4.270 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.521 -11.844 -2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.064 -9.812 -4.057 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.864 -10.246 -2.371 1.00 0.00 H new ATOM 573 N ARG A 39 5.681 -7.858 -4.888 1.00 0.00 N ATOM 574 CA ARG A 39 6.250 -7.243 -6.084 1.00 0.00 C ATOM 575 C ARG A 39 6.319 -5.724 -5.930 1.00 0.00 C ATOM 576 O ARG A 39 7.147 -5.064 -6.558 1.00 0.00 O ATOM 577 CB ARG A 39 5.402 -7.581 -7.312 1.00 0.00 C ATOM 578 CG ARG A 39 6.280 -7.544 -8.565 1.00 0.00 C ATOM 579 CD ARG A 39 6.974 -8.895 -8.742 1.00 0.00 C ATOM 580 NE ARG A 39 8.208 -8.744 -9.509 1.00 0.00 N ATOM 581 CZ ARG A 39 8.391 -9.404 -10.649 1.00 0.00 C ATOM 582 NH1 ARG A 39 7.526 -9.284 -11.619 1.00 0.00 N ATOM 583 NH2 ARG A 39 9.436 -10.172 -10.798 1.00 0.00 N ATOM 0 H ARG A 39 4.686 -8.073 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 39 7.258 -7.637 -6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.955 -8.568 -7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.582 -6.869 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.672 -7.318 -9.441 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.022 -6.751 -8.478 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.197 -9.326 -7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.306 -9.589 -9.252 1.00 0.00 H new ATOM 0 HE ARG A 39 8.940 -8.123 -9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.709 -8.684 -11.503 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.667 -9.790 -12.493 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.112 -10.266 -10.040 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.576 -10.678 -11.672 1.00 0.00 H new ATOM 597 N LEU A 40 5.440 -5.174 -5.091 1.00 0.00 N ATOM 598 CA LEU A 40 5.413 -3.730 -4.869 1.00 0.00 C ATOM 599 C LEU A 40 6.190 -3.361 -3.607 1.00 0.00 C ATOM 600 O LEU A 40 5.814 -2.445 -2.873 1.00 0.00 O ATOM 601 CB LEU A 40 3.969 -3.241 -4.724 1.00 0.00 C ATOM 602 CG LEU A 40 3.373 -2.979 -6.107 1.00 0.00 C ATOM 603 CD1 LEU A 40 2.825 -4.286 -6.682 1.00 0.00 C ATOM 604 CD2 LEU A 40 2.238 -1.961 -5.986 1.00 0.00 C ATOM 0 H LEU A 40 4.746 -5.700 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 40 5.879 -3.251 -5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.374 -3.986 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.942 -2.330 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 40 4.146 -2.587 -6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.400 -4.100 -7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.633 -5.013 -6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.051 -4.678 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.812 -1.773 -6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.465 -2.354 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.627 -1.029 -5.575 1.00 0.00 H new ATOM 616 N VAL A 41 7.283 -4.080 -3.360 1.00 0.00 N ATOM 617 CA VAL A 41 8.105 -3.814 -2.184 1.00 0.00 C ATOM 618 C VAL A 41 9.123 -2.717 -2.488 1.00 0.00 C ATOM 619 O VAL A 41 9.708 -2.677 -3.569 1.00 0.00 O ATOM 620 CB VAL A 41 8.846 -5.081 -1.745 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.565 -4.825 -0.420 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.842 -6.221 -1.562 1.00 0.00 C ATOM 0 H VAL A 41 7.616 -4.842 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 41 7.447 -3.488 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 41 9.576 -5.353 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.091 -5.728 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.281 -4.013 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.836 -4.551 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.368 -7.123 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.112 -5.945 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.329 -6.409 -2.505 1.00 0.00 H new ATOM 632 N SER A 42 9.326 -1.829 -1.518 1.00 0.00 N ATOM 633 CA SER A 42 10.275 -0.731 -1.685 1.00 0.00 C ATOM 634 C SER A 42 9.860 0.164 -2.851 1.00 0.00 C ATOM 635 O SER A 42 10.701 0.709 -3.565 1.00 0.00 O ATOM 636 CB SER A 42 11.683 -1.271 -1.946 1.00 0.00 C ATOM 637 OG SER A 42 11.940 -2.355 -1.064 1.00 0.00 O ATOM 0 H SER A 42 8.851 -1.847 -0.616 1.00 0.00 H new ATOM 0 HA SER A 42 10.276 -0.148 -0.764 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.773 -1.600 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.421 -0.483 -1.797 1.00 0.00 H new ATOM 0 HG SER A 42 12.840 -2.705 -1.229 1.00 0.00 H new ATOM 643 N MET A 43 8.550 0.308 -3.032 1.00 0.00 N ATOM 644 CA MET A 43 8.027 1.141 -4.113 1.00 0.00 C ATOM 645 C MET A 43 7.977 2.603 -3.681 1.00 0.00 C ATOM 646 O MET A 43 7.780 2.911 -2.507 1.00 0.00 O ATOM 647 CB MET A 43 6.619 0.688 -4.506 1.00 0.00 C ATOM 648 CG MET A 43 6.700 -0.645 -5.252 1.00 0.00 C ATOM 649 SD MET A 43 7.399 -0.374 -6.899 1.00 0.00 S ATOM 650 CE MET A 43 5.869 -0.601 -7.836 1.00 0.00 C ATOM 0 H MET A 43 7.838 -0.135 -2.452 1.00 0.00 H new ATOM 0 HA MET A 43 8.693 1.037 -4.970 1.00 0.00 H new ATOM 0 HB2 MET A 43 5.998 0.582 -3.616 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.146 1.441 -5.136 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.318 -1.349 -4.694 1.00 0.00 H new ATOM 0 HG3 MET A 43 5.708 -1.088 -5.335 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.915 -1.541 -8.386 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.022 -0.623 -7.150 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.746 0.224 -8.538 1.00 0.00 H new ATOM 660 N GLN A 44 8.159 3.500 -4.646 1.00 0.00 N ATOM 661 CA GLN A 44 8.133 4.931 -4.353 1.00 0.00 C ATOM 662 C GLN A 44 6.920 5.588 -5.003 1.00 0.00 C ATOM 663 O GLN A 44 6.714 5.487 -6.212 1.00 0.00 O ATOM 664 CB GLN A 44 9.404 5.607 -4.872 1.00 0.00 C ATOM 665 CG GLN A 44 10.621 5.032 -4.143 1.00 0.00 C ATOM 666 CD GLN A 44 10.937 5.892 -2.925 1.00 0.00 C ATOM 667 OE1 GLN A 44 10.040 6.268 -2.171 1.00 0.00 O ATOM 668 NE2 GLN A 44 12.175 6.231 -2.686 1.00 0.00 N ATOM 0 H GLN A 44 8.324 3.267 -5.625 1.00 0.00 H new ATOM 0 HA GLN A 44 8.074 5.051 -3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.501 5.448 -5.946 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.347 6.684 -4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.422 4.005 -3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.480 5.003 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.919 5.920 -3.311 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.398 6.807 -1.875 1.00 0.00 H new ATOM 677 N VAL A 45 6.121 6.266 -4.184 1.00 0.00 N ATOM 678 CA VAL A 45 4.927 6.943 -4.684 1.00 0.00 C ATOM 679 C VAL A 45 5.234 8.408 -4.980 1.00 0.00 C ATOM 680 O VAL A 45 6.365 8.865 -4.814 1.00 0.00 O ATOM 681 CB VAL A 45 3.797 6.868 -3.657 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.358 5.412 -3.485 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.291 7.412 -2.314 1.00 0.00 C ATOM 0 H VAL A 45 6.276 6.361 -3.180 1.00 0.00 H new ATOM 0 HA VAL A 45 4.615 6.443 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 45 2.953 7.464 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.552 5.359 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.006 5.023 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.202 4.816 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.486 7.359 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.136 6.816 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.604 8.449 -2.434 1.00 0.00 H new ATOM 693 N ASN A 46 4.213 9.139 -5.419 1.00 0.00 N ATOM 694 CA ASN A 46 4.385 10.554 -5.736 1.00 0.00 C ATOM 695 C ASN A 46 3.306 11.389 -5.054 1.00 0.00 C ATOM 696 O ASN A 46 2.859 12.407 -5.582 1.00 0.00 O ATOM 697 CB ASN A 46 4.311 10.780 -7.248 1.00 0.00 C ATOM 698 CG ASN A 46 3.013 10.190 -7.787 1.00 0.00 C ATOM 699 OD1 ASN A 46 2.960 9.014 -8.144 1.00 0.00 O ATOM 700 ND2 ASN A 46 1.953 10.946 -7.870 1.00 0.00 N ATOM 0 H ASN A 46 3.269 8.781 -5.562 1.00 0.00 H new ATOM 0 HA ASN A 46 5.366 10.862 -5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.358 11.846 -7.470 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.166 10.314 -7.738 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.080 10.562 -8.231 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.998 11.921 -7.574 1.00 0.00 H new ATOM 707 N ARG A 47 2.891 10.946 -3.869 1.00 0.00 N ATOM 708 CA ARG A 47 1.862 11.660 -3.117 1.00 0.00 C ATOM 709 C ARG A 47 1.615 10.981 -1.774 1.00 0.00 C ATOM 710 O ARG A 47 2.002 9.831 -1.564 1.00 0.00 O ATOM 711 CB ARG A 47 0.551 11.697 -3.905 1.00 0.00 C ATOM 712 CG ARG A 47 0.154 10.275 -4.304 1.00 0.00 C ATOM 713 CD ARG A 47 -1.370 10.150 -4.301 1.00 0.00 C ATOM 714 NE ARG A 47 -1.912 10.418 -5.630 1.00 0.00 N ATOM 715 CZ ARG A 47 -2.977 11.198 -5.792 1.00 0.00 C ATOM 716 NH1 ARG A 47 -3.976 11.118 -4.956 1.00 0.00 N ATOM 717 NH2 ARG A 47 -3.024 12.043 -6.785 1.00 0.00 N ATOM 0 H ARG A 47 3.247 10.106 -3.413 1.00 0.00 H new ATOM 0 HA ARG A 47 2.214 12.678 -2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.236 12.149 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.666 12.317 -4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.547 10.041 -5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.590 9.556 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.657 9.148 -3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.796 10.849 -3.581 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.467 10.000 -6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.939 10.458 -4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.793 11.716 -5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.243 12.106 -7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.841 12.641 -6.908 1.00 0.00 H new ATOM 731 N ALA A 48 0.966 11.706 -0.867 1.00 0.00 N ATOM 732 CA ALA A 48 0.671 11.164 0.456 1.00 0.00 C ATOM 733 C ALA A 48 -0.315 10.005 0.348 1.00 0.00 C ATOM 734 O ALA A 48 -1.149 9.963 -0.557 1.00 0.00 O ATOM 735 CB ALA A 48 0.073 12.247 1.356 1.00 0.00 C ATOM 0 H ALA A 48 0.638 12.659 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 48 1.605 10.807 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.141 11.826 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.783 13.067 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.850 12.620 0.912 1.00 0.00 H new ATOM 741 N VAL A 49 -0.206 9.063 1.281 1.00 0.00 N ATOM 742 CA VAL A 49 -1.091 7.899 1.283 1.00 0.00 C ATOM 743 C VAL A 49 -1.310 7.406 2.722 1.00 0.00 C ATOM 744 O VAL A 49 -0.467 6.692 3.267 1.00 0.00 O ATOM 745 CB VAL A 49 -0.485 6.760 0.450 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.537 5.671 0.229 1.00 0.00 C ATOM 747 CG2 VAL A 49 -0.024 7.300 -0.909 1.00 0.00 C ATOM 0 H VAL A 49 0.478 9.080 2.038 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.045 8.195 0.846 1.00 0.00 H new ATOM 0 HB VAL A 49 0.369 6.342 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.106 4.863 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.864 5.281 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.391 6.092 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.405 6.488 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.877 7.722 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.728 8.075 -0.757 1.00 0.00 H new ATOM 757 N PRO A 50 -2.432 7.782 3.367 1.00 0.00 N ATOM 758 CA PRO A 50 -2.713 7.361 4.754 1.00 0.00 C ATOM 759 C PRO A 50 -3.303 5.954 4.841 1.00 0.00 C ATOM 760 O PRO A 50 -3.255 5.186 3.884 1.00 0.00 O ATOM 761 CB PRO A 50 -3.725 8.405 5.211 1.00 0.00 C ATOM 762 CG PRO A 50 -4.396 8.958 3.959 1.00 0.00 C ATOM 763 CD PRO A 50 -3.486 8.636 2.770 1.00 0.00 C ATOM 0 HA PRO A 50 -1.812 7.309 5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.463 7.960 5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.232 9.202 5.767 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.380 8.510 3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.545 10.034 4.047 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.026 8.115 1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.068 9.540 2.327 1.00 0.00 H new ATOM 771 N LEU A 51 -3.855 5.625 6.006 1.00 0.00 N ATOM 772 CA LEU A 51 -4.447 4.304 6.209 1.00 0.00 C ATOM 773 C LEU A 51 -5.777 4.190 5.469 1.00 0.00 C ATOM 774 O LEU A 51 -6.455 5.188 5.221 1.00 0.00 O ATOM 775 CB LEU A 51 -4.684 4.047 7.699 1.00 0.00 C ATOM 776 CG LEU A 51 -3.356 3.700 8.373 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.655 4.985 8.815 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.623 2.819 9.597 1.00 0.00 C ATOM 0 H LEU A 51 -3.905 6.245 6.814 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.751 3.563 5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.122 4.929 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.395 3.231 7.830 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.720 3.164 7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.709 4.736 9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.466 5.614 7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.290 5.522 9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.678 2.570 10.079 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.259 3.357 10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.123 1.902 9.284 1.00 0.00 H new ATOM 790 N GLY A 52 -6.142 2.958 5.123 1.00 0.00 N ATOM 791 CA GLY A 52 -7.394 2.712 4.411 1.00 0.00 C ATOM 792 C GLY A 52 -7.417 3.441 3.074 1.00 0.00 C ATOM 793 O GLY A 52 -8.298 4.261 2.810 1.00 0.00 O ATOM 0 H GLY A 52 -5.594 2.121 5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.518 1.642 4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.234 3.041 5.022 1.00 0.00 H new ATOM 797 N THR A 53 -6.439 3.130 2.229 1.00 0.00 N ATOM 798 CA THR A 53 -6.353 3.757 0.913 1.00 0.00 C ATOM 799 C THR A 53 -6.122 2.697 -0.161 1.00 0.00 C ATOM 800 O THR A 53 -5.304 1.794 0.008 1.00 0.00 O ATOM 801 CB THR A 53 -5.205 4.771 0.875 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.170 5.395 -0.401 1.00 0.00 O ATOM 803 CG2 THR A 53 -3.875 4.063 1.134 1.00 0.00 C ATOM 0 H THR A 53 -5.701 2.454 2.428 1.00 0.00 H new ATOM 0 HA THR A 53 -7.293 4.273 0.720 1.00 0.00 H new ATOM 0 HB THR A 53 -5.364 5.523 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.677 6.240 -0.339 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.064 4.791 1.105 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.901 3.587 2.114 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.711 3.306 0.367 1.00 0.00 H new ATOM 811 N THR A 54 -6.842 2.821 -1.266 1.00 0.00 N ATOM 812 CA THR A 54 -6.695 1.869 -2.359 1.00 0.00 C ATOM 813 C THR A 54 -5.404 2.143 -3.123 1.00 0.00 C ATOM 814 O THR A 54 -5.314 3.096 -3.896 1.00 0.00 O ATOM 815 CB THR A 54 -7.877 1.981 -3.322 1.00 0.00 C ATOM 816 OG1 THR A 54 -9.091 1.882 -2.591 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.808 0.858 -4.358 1.00 0.00 C ATOM 0 H THR A 54 -7.525 3.560 -1.430 1.00 0.00 H new ATOM 0 HA THR A 54 -6.665 0.864 -1.937 1.00 0.00 H new ATOM 0 HB THR A 54 -7.837 2.942 -3.834 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.850 1.955 -3.206 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.652 0.942 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.877 0.937 -4.919 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.845 -0.107 -3.852 1.00 0.00 H new ATOM 825 N LEU A 55 -4.403 1.297 -2.897 1.00 0.00 N ATOM 826 CA LEU A 55 -3.118 1.461 -3.571 1.00 0.00 C ATOM 827 C LEU A 55 -3.225 1.035 -5.031 1.00 0.00 C ATOM 828 O LEU A 55 -3.328 -0.152 -5.340 1.00 0.00 O ATOM 829 CB LEU A 55 -2.038 0.623 -2.887 1.00 0.00 C ATOM 830 CG LEU A 55 -0.657 1.110 -3.333 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.204 2.257 -2.429 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.345 -0.042 -3.234 1.00 0.00 C ATOM 0 H LEU A 55 -4.454 0.501 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.845 2.515 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.132 0.703 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.164 -0.430 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.710 1.459 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.779 2.604 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.918 3.078 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.150 1.908 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.329 0.303 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.398 -0.391 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.023 -0.861 -3.877 1.00 0.00 H new ATOM 844 N MET A 56 -3.193 2.019 -5.923 1.00 0.00 N ATOM 845 CA MET A 56 -3.281 1.740 -7.352 1.00 0.00 C ATOM 846 C MET A 56 -1.875 1.663 -7.956 1.00 0.00 C ATOM 847 O MET A 56 -0.907 2.096 -7.333 1.00 0.00 O ATOM 848 CB MET A 56 -4.073 2.837 -8.067 1.00 0.00 C ATOM 849 CG MET A 56 -5.558 2.463 -8.090 1.00 0.00 C ATOM 850 SD MET A 56 -6.375 3.138 -6.622 1.00 0.00 S ATOM 851 CE MET A 56 -7.959 3.531 -7.404 1.00 0.00 C ATOM 0 H MET A 56 -3.108 3.007 -5.686 1.00 0.00 H new ATOM 0 HA MET A 56 -3.793 0.787 -7.483 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.935 3.791 -7.557 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.703 2.963 -9.085 1.00 0.00 H new ATOM 0 HG2 MET A 56 -6.028 2.854 -8.993 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.670 1.379 -8.116 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.536 4.184 -6.749 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.781 4.035 -8.354 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.516 2.611 -7.581 1.00 0.00 H new ATOM 861 N PRO A 57 -1.739 1.114 -9.173 1.00 0.00 N ATOM 862 CA PRO A 57 -0.422 1.000 -9.826 1.00 0.00 C ATOM 863 C PRO A 57 0.024 2.305 -10.483 1.00 0.00 C ATOM 864 O PRO A 57 1.208 2.641 -10.489 1.00 0.00 O ATOM 865 CB PRO A 57 -0.669 -0.074 -10.872 1.00 0.00 C ATOM 866 CG PRO A 57 -2.162 -0.082 -11.166 1.00 0.00 C ATOM 867 CD PRO A 57 -2.865 0.576 -9.975 1.00 0.00 C ATOM 0 HA PRO A 57 0.375 0.765 -9.121 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.100 0.133 -11.778 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.344 -1.048 -10.507 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.375 0.462 -12.086 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.520 -1.102 -11.308 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.545 1.365 -10.295 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.456 -0.144 -9.408 1.00 0.00 H new ATOM 875 N ASP A 58 -0.942 3.035 -11.035 1.00 0.00 N ATOM 876 CA ASP A 58 -0.642 4.303 -11.695 1.00 0.00 C ATOM 877 C ASP A 58 -0.055 5.296 -10.697 1.00 0.00 C ATOM 878 O ASP A 58 0.904 6.007 -10.997 1.00 0.00 O ATOM 879 CB ASP A 58 -1.910 4.903 -12.305 1.00 0.00 C ATOM 880 CG ASP A 58 -2.993 5.002 -11.236 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.999 5.987 -10.516 1.00 0.00 O ATOM 882 OD2 ASP A 58 -3.801 4.091 -11.153 1.00 0.00 O ATOM 0 H ASP A 58 -1.928 2.775 -11.039 1.00 0.00 H new ATOM 0 HA ASP A 58 0.083 4.107 -12.485 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.697 5.891 -12.714 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.256 4.283 -13.132 1.00 0.00 H new ATOM 887 N MET A 59 -0.641 5.333 -9.505 1.00 0.00 N ATOM 888 CA MET A 59 -0.171 6.241 -8.462 1.00 0.00 C ATOM 889 C MET A 59 1.256 5.892 -8.049 1.00 0.00 C ATOM 890 O MET A 59 2.031 6.760 -7.648 1.00 0.00 O ATOM 891 CB MET A 59 -1.077 6.159 -7.232 1.00 0.00 C ATOM 892 CG MET A 59 -2.487 6.623 -7.603 1.00 0.00 C ATOM 893 SD MET A 59 -3.298 7.317 -6.140 1.00 0.00 S ATOM 894 CE MET A 59 -3.333 5.797 -5.157 1.00 0.00 C ATOM 0 H MET A 59 -1.435 4.751 -9.237 1.00 0.00 H new ATOM 0 HA MET A 59 -0.195 7.253 -8.866 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.107 5.136 -6.857 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.677 6.781 -6.431 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.439 7.371 -8.395 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.067 5.785 -7.991 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.895 5.970 -4.239 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.811 5.003 -5.731 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.314 5.501 -4.908 1.00 0.00 H new ATOM 904 N VAL A 60 1.594 4.609 -8.149 1.00 0.00 N ATOM 905 CA VAL A 60 2.931 4.153 -7.779 1.00 0.00 C ATOM 906 C VAL A 60 3.878 4.245 -8.972 1.00 0.00 C ATOM 907 O VAL A 60 3.591 3.733 -10.054 1.00 0.00 O ATOM 908 CB VAL A 60 2.881 2.704 -7.284 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.258 2.288 -6.759 1.00 0.00 C ATOM 910 CG2 VAL A 60 1.856 2.592 -6.155 1.00 0.00 C ATOM 0 H VAL A 60 0.969 3.874 -8.479 1.00 0.00 H new ATOM 0 HA VAL A 60 3.299 4.796 -6.980 1.00 0.00 H new ATOM 0 HB VAL A 60 2.597 2.050 -8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.217 1.257 -6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.993 2.370 -7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.545 2.941 -5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.817 1.562 -5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.145 3.248 -5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.874 2.885 -6.525 1.00 0.00 H new ATOM 920 N LYS A 61 5.016 4.902 -8.757 1.00 0.00 N ATOM 921 CA LYS A 61 6.009 5.054 -9.817 1.00 0.00 C ATOM 922 C LYS A 61 6.858 3.792 -9.922 1.00 0.00 C ATOM 923 O LYS A 61 7.491 3.370 -8.955 1.00 0.00 O ATOM 924 CB LYS A 61 6.922 6.248 -9.531 1.00 0.00 C ATOM 925 CG LYS A 61 6.099 7.538 -9.559 1.00 0.00 C ATOM 926 CD LYS A 61 6.066 8.091 -10.985 1.00 0.00 C ATOM 927 CE LYS A 61 7.392 8.787 -11.295 1.00 0.00 C ATOM 928 NZ LYS A 61 7.164 9.868 -12.295 1.00 0.00 N ATOM 0 H LYS A 61 5.271 5.333 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 61 5.482 5.223 -10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.399 6.130 -8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.719 6.296 -10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.085 7.343 -9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.533 8.274 -8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.893 7.283 -11.696 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.240 8.794 -11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.818 9.205 -10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.112 8.066 -11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.066 10.342 -12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.776 9.457 -13.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.491 10.561 -11.910 1.00 0.00 H new ATOM 942 N GLY A 62 6.860 3.191 -11.108 1.00 0.00 N ATOM 943 CA GLY A 62 7.631 1.970 -11.330 1.00 0.00 C ATOM 944 C GLY A 62 6.708 0.801 -11.663 1.00 0.00 C ATOM 945 O GLY A 62 7.094 -0.132 -12.366 1.00 0.00 O ATOM 0 H GLY A 62 6.343 3.524 -11.922 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.339 2.124 -12.144 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.215 1.736 -10.440 1.00 0.00 H new ATOM 949 N TYR A 63 5.478 0.862 -11.148 1.00 0.00 N ATOM 950 CA TYR A 63 4.497 -0.194 -11.393 1.00 0.00 C ATOM 951 C TYR A 63 4.273 -0.380 -12.893 1.00 0.00 C ATOM 952 O TYR A 63 3.493 0.343 -13.514 1.00 0.00 O ATOM 953 CB TYR A 63 3.164 0.159 -10.726 1.00 0.00 C ATOM 954 CG TYR A 63 2.272 -1.057 -10.679 1.00 0.00 C ATOM 955 CD1 TYR A 63 1.703 -1.575 -11.875 1.00 0.00 C ATOM 956 CD2 TYR A 63 1.993 -1.679 -9.434 1.00 0.00 C ATOM 957 CE1 TYR A 63 0.858 -2.715 -11.823 1.00 0.00 C ATOM 958 CE2 TYR A 63 1.148 -2.819 -9.381 1.00 0.00 C ATOM 959 CZ TYR A 63 0.580 -3.337 -10.576 1.00 0.00 C ATOM 960 OH TYR A 63 -0.241 -4.445 -10.526 1.00 0.00 O ATOM 0 H TYR A 63 5.140 1.626 -10.563 1.00 0.00 H new ATOM 0 HA TYR A 63 4.883 -1.122 -10.970 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.340 0.530 -9.716 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.672 0.960 -11.279 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.914 -1.101 -12.823 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.424 -1.285 -8.526 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.427 -3.109 -12.731 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.937 -3.292 -8.433 1.00 0.00 H new ATOM 0 HH TYR A 63 0.026 -5.017 -9.776 1.00 0.00 H new ATOM 970 N ALA A 64 4.966 -1.359 -13.466 1.00 0.00 N ATOM 971 CA ALA A 64 4.837 -1.637 -14.894 1.00 0.00 C ATOM 972 C ALA A 64 3.445 -2.172 -15.209 1.00 0.00 C ATOM 973 O ALA A 64 3.154 -3.349 -14.997 1.00 0.00 O ATOM 974 CB ALA A 64 5.879 -2.667 -15.335 1.00 0.00 C ATOM 0 H ALA A 64 5.617 -1.968 -12.970 1.00 0.00 H new ATOM 0 HA ALA A 64 4.998 -0.704 -15.434 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.769 -2.862 -16.402 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.879 -2.280 -15.139 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.733 -3.593 -14.779 1.00 0.00 H new ATOM 980 N ALA A 65 2.587 -1.293 -15.718 1.00 0.00 N ATOM 981 CA ALA A 65 1.223 -1.684 -16.060 1.00 0.00 C ATOM 982 C ALA A 65 1.110 -1.969 -17.555 1.00 0.00 C ATOM 983 O ALA A 65 0.977 -3.130 -17.908 1.00 0.00 O ATOM 984 CB ALA A 65 0.237 -0.575 -15.689 1.00 0.00 C ATOM 0 H ALA A 65 2.809 -0.314 -15.901 1.00 0.00 H new ATOM 0 HA ALA A 65 0.981 -2.586 -15.498 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.775 -0.885 -15.951 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.291 -0.383 -14.617 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.491 0.335 -16.233 1.00 0.00 H new TER 990 ALA A 65