USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 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 Set 1.1: A 18 THR OG1 : rot -170:sc= -1.29 USER MOD Set 1.2: A 21 MET CE :methyl 180:sc= -1.53 (180deg=-1.53) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASN N :NH3+ 139:sc= 0.0386 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 4 SER OG : rot 180:sc=-0.00156 USER MOD Single : A 8 ASN : amide:sc= -0.325 K(o=-0.32,f=-1.9!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0737 X(o=-0.074,f=-0.33) USER MOD Single : A 15 THR OG1 : rot 93:sc= -0.709 USER MOD Single : A 22 MET CE :methyl -130:sc= -3.82! (180deg=-5.64!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0635 USER MOD Single : A 42 SER OG : rot 180:sc= -0.166 USER MOD Single : A 43 MET CE :methyl -136:sc= -1.66 (180deg=-2.37) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -3.24 K(o=-3.2,f=-11!) USER MOD Single : A 53 THR OG1 : rot 80:sc= 1.12 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00706 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -104:sc= -1.61 (180deg=-5.43!) USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= -0.0584 (180deg=-0.554) USER MOD Single : A 63 TYR OH : rot 165:sc= -0.308 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -15.085 -12.536 -6.161 1.00 0.00 N ATOM 2 CA ASN A 1 -14.562 -11.445 -5.289 1.00 0.00 C ATOM 3 C ASN A 1 -13.091 -11.201 -5.608 1.00 0.00 C ATOM 4 O ASN A 1 -12.345 -12.131 -5.917 1.00 0.00 O ATOM 5 CB ASN A 1 -14.707 -11.850 -3.821 1.00 0.00 C ATOM 6 CG ASN A 1 -16.113 -11.513 -3.337 1.00 0.00 C ATOM 7 OD1 ASN A 1 -17.016 -12.347 -3.402 1.00 0.00 O ATOM 8 ND2 ASN A 1 -16.355 -10.327 -2.848 1.00 0.00 N ATOM 0 H1 ASN A 1 -15.704 -13.159 -5.604 1.00 0.00 H new ATOM 0 H2 ASN A 1 -15.627 -12.123 -6.947 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.290 -13.088 -6.541 1.00 0.00 H new ATOM 0 HA ASN A 1 -15.129 -10.532 -5.470 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -14.518 -12.917 -3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.967 -11.328 -3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -17.292 -10.092 -2.520 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -15.607 -9.635 -2.794 1.00 0.00 H new ATOM 15 N GLN A 2 -12.681 -9.939 -5.528 1.00 0.00 N ATOM 16 CA GLN A 2 -11.294 -9.579 -5.808 1.00 0.00 C ATOM 17 C GLN A 2 -10.740 -8.689 -4.700 1.00 0.00 C ATOM 18 O GLN A 2 -11.364 -7.703 -4.305 1.00 0.00 O ATOM 19 CB GLN A 2 -11.192 -8.836 -7.141 1.00 0.00 C ATOM 20 CG GLN A 2 -9.720 -8.688 -7.532 1.00 0.00 C ATOM 21 CD GLN A 2 -9.619 -7.975 -8.876 1.00 0.00 C ATOM 22 OE1 GLN A 2 -10.358 -7.027 -9.139 1.00 0.00 O ATOM 23 NE2 GLN A 2 -8.737 -8.378 -9.750 1.00 0.00 N ATOM 0 H GLN A 2 -13.282 -9.155 -5.274 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.712 -10.499 -5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.732 -9.381 -7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.658 -7.854 -7.059 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.185 -8.124 -6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.249 -9.669 -7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.125 -9.164 -9.531 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.660 -7.907 -10.651 1.00 0.00 H new ATOM 32 N ALA A 3 -9.561 -9.048 -4.202 1.00 0.00 N ATOM 33 CA ALA A 3 -8.928 -8.277 -3.136 1.00 0.00 C ATOM 34 C ALA A 3 -8.066 -7.165 -3.723 1.00 0.00 C ATOM 35 O ALA A 3 -7.934 -7.037 -4.941 1.00 0.00 O ATOM 36 CB ALA A 3 -8.051 -9.182 -2.269 1.00 0.00 C ATOM 0 H ALA A 3 -9.028 -9.860 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.716 -7.841 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.587 -8.591 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.665 -9.965 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.275 -9.636 -2.886 1.00 0.00 H new ATOM 42 N SER A 4 -7.480 -6.360 -2.841 1.00 0.00 N ATOM 43 CA SER A 4 -6.629 -5.257 -3.277 1.00 0.00 C ATOM 44 C SER A 4 -5.469 -5.064 -2.305 1.00 0.00 C ATOM 45 O SER A 4 -5.286 -5.846 -1.373 1.00 0.00 O ATOM 46 CB SER A 4 -7.434 -3.959 -3.357 1.00 0.00 C ATOM 47 OG SER A 4 -8.577 -4.166 -4.178 1.00 0.00 O ATOM 0 H SER A 4 -7.577 -6.449 -1.830 1.00 0.00 H new ATOM 0 HA SER A 4 -6.239 -5.502 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.740 -3.645 -2.359 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.817 -3.159 -3.767 1.00 0.00 H new ATOM 0 HG SER A 4 -9.097 -3.337 -4.231 1.00 0.00 H new ATOM 53 N VAL A 5 -4.689 -4.012 -2.535 1.00 0.00 N ATOM 54 CA VAL A 5 -3.546 -3.721 -1.673 1.00 0.00 C ATOM 55 C VAL A 5 -3.727 -2.371 -0.988 1.00 0.00 C ATOM 56 O VAL A 5 -3.298 -1.338 -1.502 1.00 0.00 O ATOM 57 CB VAL A 5 -2.249 -3.697 -2.488 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.052 -3.597 -1.540 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.137 -4.984 -3.311 1.00 0.00 C ATOM 0 H VAL A 5 -4.824 -3.353 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.485 -4.507 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.259 -2.836 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.129 -3.580 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.129 -2.682 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.045 -4.458 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.214 -4.966 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.129 -5.844 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.989 -5.059 -3.987 1.00 0.00 H new ATOM 69 N VAL A 6 -4.366 -2.388 0.177 1.00 0.00 N ATOM 70 CA VAL A 6 -4.596 -1.155 0.924 1.00 0.00 C ATOM 71 C VAL A 6 -3.431 -0.885 1.871 1.00 0.00 C ATOM 72 O VAL A 6 -2.744 -1.806 2.314 1.00 0.00 O ATOM 73 CB VAL A 6 -5.891 -1.250 1.735 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.203 0.108 2.370 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.041 -1.649 0.809 1.00 0.00 C ATOM 0 H VAL A 6 -4.730 -3.231 0.621 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.680 -0.337 0.208 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.772 -1.998 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.125 0.037 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.385 0.398 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.321 0.857 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.964 -1.717 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.155 -0.899 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.824 -2.616 0.355 1.00 0.00 H new ATOM 85 N ALA A 7 -3.218 0.392 2.174 1.00 0.00 N ATOM 86 CA ALA A 7 -2.133 0.781 3.069 1.00 0.00 C ATOM 87 C ALA A 7 -2.515 0.506 4.521 1.00 0.00 C ATOM 88 O ALA A 7 -3.572 0.927 4.990 1.00 0.00 O ATOM 89 CB ALA A 7 -1.817 2.270 2.911 1.00 0.00 C ATOM 0 H ALA A 7 -3.776 1.168 1.817 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.253 0.193 2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.006 2.543 3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.517 2.471 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.703 2.858 3.152 1.00 0.00 H new ATOM 95 N ASN A 8 -1.639 -0.206 5.226 1.00 0.00 N ATOM 96 CA ASN A 8 -1.891 -0.532 6.626 1.00 0.00 C ATOM 97 C ASN A 8 -1.052 0.353 7.543 1.00 0.00 C ATOM 98 O ASN A 8 -0.665 -0.055 8.639 1.00 0.00 O ATOM 99 CB ASN A 8 -1.552 -1.998 6.903 1.00 0.00 C ATOM 100 CG ASN A 8 -2.227 -2.443 8.196 1.00 0.00 C ATOM 101 OD1 ASN A 8 -3.308 -1.963 8.536 1.00 0.00 O ATOM 102 ND2 ASN A 8 -1.648 -3.341 8.945 1.00 0.00 N ATOM 0 H ASN A 8 -0.759 -0.564 4.856 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.949 -0.359 6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.885 -2.622 6.074 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.472 -2.123 6.983 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.091 -3.645 9.812 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.752 -3.739 8.664 1.00 0.00 H new ATOM 109 N GLN A 9 -0.777 1.571 7.085 1.00 0.00 N ATOM 110 CA GLN A 9 0.017 2.512 7.870 1.00 0.00 C ATOM 111 C GLN A 9 0.137 3.843 7.132 1.00 0.00 C ATOM 112 O GLN A 9 -0.074 3.919 5.922 1.00 0.00 O ATOM 113 CB GLN A 9 1.423 1.946 8.126 1.00 0.00 C ATOM 114 CG GLN A 9 1.506 1.386 9.551 1.00 0.00 C ATOM 115 CD GLN A 9 2.880 1.688 10.142 1.00 0.00 C ATOM 116 OE1 GLN A 9 3.095 2.756 10.715 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.831 0.802 10.035 1.00 0.00 N ATOM 0 H GLN A 9 -1.089 1.928 6.182 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.485 2.669 8.825 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.646 1.161 7.403 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.170 2.728 7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.727 1.828 10.172 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.332 0.310 9.540 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.653 -0.083 9.560 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.753 0.994 10.426 1.00 0.00 H new ATOM 126 N LEU A 10 0.480 4.890 7.875 1.00 0.00 N ATOM 127 CA LEU A 10 0.625 6.216 7.283 1.00 0.00 C ATOM 128 C LEU A 10 1.868 6.271 6.398 1.00 0.00 C ATOM 129 O LEU A 10 2.981 6.481 6.879 1.00 0.00 O ATOM 130 CB LEU A 10 0.741 7.284 8.374 1.00 0.00 C ATOM 131 CG LEU A 10 0.691 8.675 7.739 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.683 8.901 7.105 1.00 0.00 C ATOM 133 CD2 LEU A 10 0.934 9.735 8.816 1.00 0.00 C ATOM 0 H LEU A 10 0.661 4.848 8.878 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.261 6.412 6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.070 7.173 9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.674 7.157 8.923 1.00 0.00 H new ATOM 0 HG LEU A 10 1.461 8.750 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.717 9.892 6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.858 8.147 6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.454 8.825 7.871 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.899 10.727 8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.164 9.658 9.583 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.913 9.577 9.268 1.00 0.00 H new ATOM 145 N ILE A 11 1.661 6.079 5.098 1.00 0.00 N ATOM 146 CA ILE A 11 2.766 6.107 4.145 1.00 0.00 C ATOM 147 C ILE A 11 2.964 7.534 3.606 1.00 0.00 C ATOM 148 O ILE A 11 2.111 8.038 2.875 1.00 0.00 O ATOM 149 CB ILE A 11 2.479 5.168 2.969 1.00 0.00 C ATOM 150 CG1 ILE A 11 2.148 3.768 3.498 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.711 5.086 2.063 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.282 3.028 2.477 1.00 0.00 C ATOM 0 H ILE A 11 0.746 5.904 4.683 1.00 0.00 H new ATOM 0 HA ILE A 11 3.669 5.780 4.660 1.00 0.00 H new ATOM 0 HB ILE A 11 1.633 5.554 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.067 3.211 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.623 3.842 4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.504 4.417 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.950 6.079 1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.557 4.703 2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.047 2.032 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.358 3.582 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.824 2.941 1.535 1.00 0.00 H new ATOM 164 N PRO A 12 4.077 8.210 3.949 1.00 0.00 N ATOM 165 CA PRO A 12 4.327 9.582 3.470 1.00 0.00 C ATOM 166 C PRO A 12 4.912 9.614 2.059 1.00 0.00 C ATOM 167 O PRO A 12 5.477 8.630 1.582 1.00 0.00 O ATOM 168 CB PRO A 12 5.335 10.106 4.484 1.00 0.00 C ATOM 169 CG PRO A 12 6.035 8.893 5.086 1.00 0.00 C ATOM 170 CD PRO A 12 5.149 7.672 4.822 1.00 0.00 C ATOM 0 HA PRO A 12 3.413 10.172 3.400 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.056 10.768 4.004 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.835 10.687 5.259 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.019 8.757 4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.189 9.031 6.156 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.703 6.872 4.332 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.746 7.260 5.747 1.00 0.00 H new ATOM 178 N ILE A 13 4.769 10.761 1.399 1.00 0.00 N ATOM 179 CA ILE A 13 5.285 10.919 0.043 1.00 0.00 C ATOM 180 C ILE A 13 6.813 10.826 0.039 1.00 0.00 C ATOM 181 O ILE A 13 7.469 11.110 1.041 1.00 0.00 O ATOM 182 CB ILE A 13 4.835 12.269 -0.543 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.310 12.374 -1.999 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.414 13.428 0.286 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.809 13.682 -2.618 1.00 0.00 C ATOM 0 H ILE A 13 4.305 11.587 1.777 1.00 0.00 H new ATOM 0 HA ILE A 13 4.886 10.116 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 13 3.747 12.330 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.399 12.336 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.940 11.525 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.088 14.377 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.062 13.351 1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.503 13.378 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.150 13.750 -3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.719 13.702 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.201 14.526 -2.051 1.00 0.00 H new ATOM 197 N ASN A 14 7.367 10.426 -1.103 1.00 0.00 N ATOM 198 CA ASN A 14 8.817 10.297 -1.235 1.00 0.00 C ATOM 199 C ASN A 14 9.357 9.275 -0.239 1.00 0.00 C ATOM 200 O ASN A 14 10.472 9.406 0.266 1.00 0.00 O ATOM 201 CB ASN A 14 9.501 11.643 -0.990 1.00 0.00 C ATOM 202 CG ASN A 14 9.593 12.414 -2.303 1.00 0.00 C ATOM 203 OD1 ASN A 14 10.093 11.897 -3.302 1.00 0.00 O ATOM 204 ND2 ASN A 14 9.135 13.636 -2.361 1.00 0.00 N ATOM 0 H ASN A 14 6.840 10.187 -1.943 1.00 0.00 H new ATOM 0 HA ASN A 14 9.031 9.962 -2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.939 12.220 -0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.498 11.487 -0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.192 14.161 -3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.721 14.065 -1.534 1.00 0.00 H new ATOM 211 N THR A 15 8.551 8.253 0.036 1.00 0.00 N ATOM 212 CA THR A 15 8.955 7.210 0.974 1.00 0.00 C ATOM 213 C THR A 15 8.671 5.830 0.387 1.00 0.00 C ATOM 214 O THR A 15 7.679 5.628 -0.312 1.00 0.00 O ATOM 215 CB THR A 15 8.197 7.355 2.296 1.00 0.00 C ATOM 216 OG1 THR A 15 8.286 8.700 2.745 1.00 0.00 O ATOM 217 CG2 THR A 15 8.811 6.424 3.342 1.00 0.00 C ATOM 0 H THR A 15 7.625 8.125 -0.372 1.00 0.00 H new ATOM 0 HA THR A 15 10.024 7.316 1.157 1.00 0.00 H new ATOM 0 HB THR A 15 7.150 7.090 2.147 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.511 9.205 2.421 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.271 6.528 4.283 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.743 5.393 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.858 6.687 3.494 1.00 0.00 H new ATOM 225 N ALA A 16 9.558 4.883 0.680 1.00 0.00 N ATOM 226 CA ALA A 16 9.398 3.522 0.177 1.00 0.00 C ATOM 227 C ALA A 16 8.326 2.782 0.972 1.00 0.00 C ATOM 228 O ALA A 16 8.089 3.075 2.145 1.00 0.00 O ATOM 229 CB ALA A 16 10.716 2.753 0.283 1.00 0.00 C ATOM 0 H ALA A 16 10.386 5.030 1.257 1.00 0.00 H new ATOM 0 HA ALA A 16 9.097 3.584 -0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.578 1.741 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.481 3.260 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.029 2.710 1.326 1.00 0.00 H new ATOM 235 N LEU A 17 7.682 1.818 0.320 1.00 0.00 N ATOM 236 CA LEU A 17 6.635 1.038 0.974 1.00 0.00 C ATOM 237 C LEU A 17 7.232 -0.194 1.645 1.00 0.00 C ATOM 238 O LEU A 17 8.391 -0.543 1.419 1.00 0.00 O ATOM 239 CB LEU A 17 5.585 0.591 -0.045 1.00 0.00 C ATOM 240 CG LEU A 17 4.961 1.820 -0.707 1.00 0.00 C ATOM 241 CD1 LEU A 17 4.329 1.416 -2.041 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.882 2.400 0.210 1.00 0.00 C ATOM 0 H LEU A 17 7.864 1.560 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 17 6.163 1.670 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.044 -0.048 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.814 -0.001 0.448 1.00 0.00 H new ATOM 0 HG LEU A 17 5.733 2.569 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.884 2.292 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.095 1.001 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.557 0.667 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.437 3.276 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.110 1.650 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.329 2.688 1.161 1.00 0.00 H new ATOM 254 N THR A 18 6.426 -0.852 2.474 1.00 0.00 N ATOM 255 CA THR A 18 6.883 -2.048 3.176 1.00 0.00 C ATOM 256 C THR A 18 5.721 -3.009 3.402 1.00 0.00 C ATOM 257 O THR A 18 4.559 -2.662 3.193 1.00 0.00 O ATOM 258 CB THR A 18 7.492 -1.676 4.530 1.00 0.00 C ATOM 259 OG1 THR A 18 6.663 -0.716 5.172 1.00 0.00 O ATOM 260 CG2 THR A 18 8.887 -1.086 4.320 1.00 0.00 C ATOM 0 H THR A 18 5.463 -0.581 2.675 1.00 0.00 H new ATOM 0 HA THR A 18 7.640 -2.531 2.559 1.00 0.00 H new ATOM 0 HB THR A 18 7.567 -2.568 5.152 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.125 -0.360 5.960 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.319 -0.822 5.285 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.523 -1.821 3.827 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.815 -0.194 3.698 1.00 0.00 H new ATOM 268 N LEU A 19 6.050 -4.223 3.833 1.00 0.00 N ATOM 269 CA LEU A 19 5.026 -5.233 4.087 1.00 0.00 C ATOM 270 C LEU A 19 4.131 -4.802 5.245 1.00 0.00 C ATOM 271 O LEU A 19 2.938 -5.102 5.273 1.00 0.00 O ATOM 272 CB LEU A 19 5.674 -6.582 4.433 1.00 0.00 C ATOM 273 CG LEU A 19 6.146 -7.298 3.157 1.00 0.00 C ATOM 274 CD1 LEU A 19 4.950 -7.579 2.243 1.00 0.00 C ATOM 275 CD2 LEU A 19 7.164 -6.425 2.414 1.00 0.00 C ATOM 0 H LEU A 19 7.006 -4.530 4.012 1.00 0.00 H new ATOM 0 HA LEU A 19 4.427 -5.340 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.520 -6.424 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.959 -7.209 4.965 1.00 0.00 H new ATOM 0 HG LEU A 19 6.616 -8.241 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.293 -8.086 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.233 -8.213 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.471 -6.638 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.494 -6.939 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.701 -5.476 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.022 -6.238 3.059 1.00 0.00 H new ATOM 287 N VAL A 20 4.724 -4.095 6.203 1.00 0.00 N ATOM 288 CA VAL A 20 3.974 -3.624 7.365 1.00 0.00 C ATOM 289 C VAL A 20 2.921 -2.600 6.949 1.00 0.00 C ATOM 290 O VAL A 20 1.871 -2.481 7.579 1.00 0.00 O ATOM 291 CB VAL A 20 4.915 -2.988 8.392 1.00 0.00 C ATOM 292 CG1 VAL A 20 5.824 -4.064 8.986 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.772 -1.918 7.711 1.00 0.00 C ATOM 0 H VAL A 20 5.711 -3.837 6.199 1.00 0.00 H new ATOM 0 HA VAL A 20 3.480 -4.486 7.813 1.00 0.00 H new ATOM 0 HB VAL A 20 4.325 -2.529 9.186 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.494 -3.611 9.717 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.216 -4.826 9.474 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.412 -4.523 8.191 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.441 -1.467 8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.361 -2.375 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.126 -1.149 7.288 1.00 0.00 H new ATOM 303 N MET A 21 3.213 -1.860 5.881 1.00 0.00 N ATOM 304 CA MET A 21 2.280 -0.847 5.393 1.00 0.00 C ATOM 305 C MET A 21 1.491 -1.376 4.199 1.00 0.00 C ATOM 306 O MET A 21 1.104 -0.619 3.309 1.00 0.00 O ATOM 307 CB MET A 21 3.031 0.418 4.973 1.00 0.00 C ATOM 308 CG MET A 21 3.936 0.882 6.117 1.00 0.00 C ATOM 309 SD MET A 21 4.102 2.684 6.069 1.00 0.00 S ATOM 310 CE MET A 21 5.292 2.765 4.708 1.00 0.00 C ATOM 0 H MET A 21 4.076 -1.941 5.343 1.00 0.00 H new ATOM 0 HA MET A 21 1.593 -0.608 6.205 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.627 0.220 4.082 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.322 1.205 4.715 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.517 0.571 7.074 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.917 0.414 6.031 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.541 3.806 4.504 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.197 2.222 4.983 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.856 2.315 3.816 1.00 0.00 H new ATOM 320 N MET A 22 1.253 -2.685 4.190 1.00 0.00 N ATOM 321 CA MET A 22 0.506 -3.307 3.101 1.00 0.00 C ATOM 322 C MET A 22 -0.251 -4.531 3.605 1.00 0.00 C ATOM 323 O MET A 22 0.228 -5.261 4.473 1.00 0.00 O ATOM 324 CB MET A 22 1.450 -3.734 1.973 1.00 0.00 C ATOM 325 CG MET A 22 1.996 -2.492 1.265 1.00 0.00 C ATOM 326 SD MET A 22 2.329 -2.881 -0.472 1.00 0.00 S ATOM 327 CE MET A 22 3.455 -4.268 -0.187 1.00 0.00 C ATOM 0 H MET A 22 1.563 -3.330 4.917 1.00 0.00 H new ATOM 0 HA MET A 22 -0.203 -2.572 2.720 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.271 -4.326 2.377 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.920 -4.368 1.262 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.277 -1.676 1.334 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.910 -2.154 1.754 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.361 -4.128 -0.776 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.713 -4.315 0.871 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.970 -5.198 -0.484 1.00 0.00 H new ATOM 337 N ARG A 23 -1.439 -4.748 3.049 1.00 0.00 N ATOM 338 CA ARG A 23 -2.260 -5.888 3.448 1.00 0.00 C ATOM 339 C ARG A 23 -3.294 -6.201 2.373 1.00 0.00 C ATOM 340 O ARG A 23 -3.410 -5.488 1.375 1.00 0.00 O ATOM 341 CB ARG A 23 -2.981 -5.595 4.765 1.00 0.00 C ATOM 342 CG ARG A 23 -3.772 -4.291 4.636 1.00 0.00 C ATOM 343 CD ARG A 23 -4.768 -4.180 5.791 1.00 0.00 C ATOM 344 NE ARG A 23 -5.888 -5.097 5.595 1.00 0.00 N ATOM 345 CZ ARG A 23 -6.444 -5.730 6.625 1.00 0.00 C ATOM 346 NH1 ARG A 23 -6.634 -5.102 7.752 1.00 0.00 N ATOM 347 NH2 ARG A 23 -6.797 -6.981 6.507 1.00 0.00 N ATOM 0 H ARG A 23 -1.852 -4.157 2.328 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.602 -6.747 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.652 -6.417 5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.259 -5.516 5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.092 -3.439 4.645 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.300 -4.267 3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.267 -4.405 6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.137 -3.157 5.863 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.249 -5.255 4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.356 -4.125 7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.060 -5.588 8.541 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.647 -7.472 5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.223 -7.467 7.296 1.00 0.00 H new ATOM 361 N SER A 24 -4.046 -7.277 2.588 1.00 0.00 N ATOM 362 CA SER A 24 -5.073 -7.680 1.631 1.00 0.00 C ATOM 363 C SER A 24 -6.459 -7.318 2.154 1.00 0.00 C ATOM 364 O SER A 24 -6.820 -7.651 3.283 1.00 0.00 O ATOM 365 CB SER A 24 -5.012 -9.187 1.383 1.00 0.00 C ATOM 366 OG SER A 24 -5.789 -9.506 0.236 1.00 0.00 O ATOM 0 H SER A 24 -3.966 -7.880 3.407 1.00 0.00 H new ATOM 0 HA SER A 24 -4.888 -7.151 0.696 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.979 -9.501 1.235 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.388 -9.726 2.253 1.00 0.00 H new ATOM 0 HG SER A 24 -5.751 -10.472 0.073 1.00 0.00 H new ATOM 372 N GLU A 25 -7.233 -6.631 1.318 1.00 0.00 N ATOM 373 CA GLU A 25 -8.582 -6.226 1.704 1.00 0.00 C ATOM 374 C GLU A 25 -9.387 -5.819 0.473 1.00 0.00 C ATOM 375 O GLU A 25 -8.851 -5.258 -0.481 1.00 0.00 O ATOM 376 CB GLU A 25 -8.531 -5.047 2.677 1.00 0.00 C ATOM 377 CG GLU A 25 -9.907 -4.852 3.317 1.00 0.00 C ATOM 378 CD GLU A 25 -9.739 -4.317 4.735 1.00 0.00 C ATOM 379 OE1 GLU A 25 -9.436 -5.108 5.613 1.00 0.00 O ATOM 380 OE2 GLU A 25 -9.915 -3.124 4.921 1.00 0.00 O ATOM 0 H GLU A 25 -6.954 -6.346 0.379 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.062 -7.075 2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.783 -5.230 3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.231 -4.141 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.501 -4.157 2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.448 -5.798 3.336 1.00 0.00 H new ATOM 387 N VAL A 26 -10.684 -6.111 0.509 1.00 0.00 N ATOM 388 CA VAL A 26 -11.563 -5.772 -0.609 1.00 0.00 C ATOM 389 C VAL A 26 -12.033 -4.325 -0.494 1.00 0.00 C ATOM 390 O VAL A 26 -12.545 -3.903 0.542 1.00 0.00 O ATOM 391 CB VAL A 26 -12.785 -6.694 -0.631 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.587 -6.452 -1.913 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.326 -8.153 -0.589 1.00 0.00 C ATOM 0 H VAL A 26 -11.147 -6.576 1.290 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.998 -5.900 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.411 -6.483 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.457 -7.109 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.916 -5.413 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.960 -6.661 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.196 -8.809 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.698 -8.362 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.756 -8.329 0.323 1.00 0.00 H new ATOM 403 N VAL A 27 -11.851 -3.569 -1.574 1.00 0.00 N ATOM 404 CA VAL A 27 -12.259 -2.168 -1.589 1.00 0.00 C ATOM 405 C VAL A 27 -12.548 -1.714 -3.016 1.00 0.00 C ATOM 406 O VAL A 27 -12.140 -2.359 -3.982 1.00 0.00 O ATOM 407 CB VAL A 27 -11.159 -1.283 -0.999 1.00 0.00 C ATOM 408 CG1 VAL A 27 -10.985 -1.605 0.486 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.844 -1.550 -1.734 1.00 0.00 C ATOM 0 H VAL A 27 -11.428 -3.899 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.162 -2.074 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.436 -0.235 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.201 -0.974 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.922 -1.418 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.708 -2.653 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.059 -0.920 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.569 -2.598 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.966 -1.322 -2.793 1.00 0.00 H new ATOM 419 N THR A 28 -13.257 -0.594 -3.139 1.00 0.00 N ATOM 420 CA THR A 28 -13.594 -0.061 -4.455 1.00 0.00 C ATOM 421 C THR A 28 -13.094 1.386 -4.587 1.00 0.00 C ATOM 422 O THR A 28 -13.186 2.161 -3.636 1.00 0.00 O ATOM 423 CB THR A 28 -15.109 -0.083 -4.670 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.423 0.574 -5.890 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.803 0.632 -3.509 1.00 0.00 C ATOM 0 H THR A 28 -13.605 -0.044 -2.353 1.00 0.00 H new ATOM 0 HA THR A 28 -13.112 -0.686 -5.206 1.00 0.00 H new ATOM 0 HB THR A 28 -15.454 -1.116 -4.714 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.393 0.559 -6.029 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.882 0.615 -3.664 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.563 0.126 -2.574 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.459 1.665 -3.461 1.00 0.00 H new ATOM 433 N PRO A 29 -12.555 1.774 -5.759 1.00 0.00 N ATOM 434 CA PRO A 29 -12.414 0.893 -6.942 1.00 0.00 C ATOM 435 C PRO A 29 -11.205 -0.034 -6.838 1.00 0.00 C ATOM 436 O PRO A 29 -10.137 0.365 -6.371 1.00 0.00 O ATOM 437 CB PRO A 29 -12.236 1.894 -8.075 1.00 0.00 C ATOM 438 CG PRO A 29 -11.703 3.179 -7.455 1.00 0.00 C ATOM 439 CD PRO A 29 -12.047 3.145 -5.962 1.00 0.00 C ATOM 0 HA PRO A 29 -13.262 0.220 -7.069 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.542 1.510 -8.823 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.184 2.075 -8.582 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.625 3.256 -7.599 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.151 4.050 -7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.172 3.345 -5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.797 3.893 -5.705 1.00 0.00 H new ATOM 447 N VAL A 30 -11.388 -1.277 -7.275 1.00 0.00 N ATOM 448 CA VAL A 30 -10.313 -2.262 -7.226 1.00 0.00 C ATOM 449 C VAL A 30 -9.110 -1.793 -8.040 1.00 0.00 C ATOM 450 O VAL A 30 -9.141 -1.779 -9.271 1.00 0.00 O ATOM 451 CB VAL A 30 -10.804 -3.601 -7.777 1.00 0.00 C ATOM 452 CG1 VAL A 30 -11.913 -4.147 -6.877 1.00 0.00 C ATOM 453 CG2 VAL A 30 -11.348 -3.407 -9.197 1.00 0.00 C ATOM 0 H VAL A 30 -12.265 -1.624 -7.664 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.010 -2.382 -6.186 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.974 -4.307 -7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.263 -5.102 -7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.526 -4.290 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.742 -3.439 -6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.697 -4.363 -9.587 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.177 -2.700 -9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.557 -3.020 -9.840 1.00 0.00 H new ATOM 463 N GLY A 31 -8.048 -1.412 -7.336 1.00 0.00 N ATOM 464 CA GLY A 31 -6.833 -0.946 -7.998 1.00 0.00 C ATOM 465 C GLY A 31 -5.853 -2.097 -8.194 1.00 0.00 C ATOM 466 O GLY A 31 -6.056 -2.967 -9.042 1.00 0.00 O ATOM 0 H GLY A 31 -8.003 -1.416 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.084 -0.507 -8.963 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.366 -0.161 -7.403 1.00 0.00 H new ATOM 470 N ILE A 32 -4.789 -2.094 -7.397 1.00 0.00 N ATOM 471 CA ILE A 32 -3.780 -3.145 -7.485 1.00 0.00 C ATOM 472 C ILE A 32 -4.241 -4.381 -6.699 1.00 0.00 C ATOM 473 O ILE A 32 -4.805 -4.246 -5.613 1.00 0.00 O ATOM 474 CB ILE A 32 -2.448 -2.653 -6.913 1.00 0.00 C ATOM 475 CG1 ILE A 32 -2.049 -1.346 -7.603 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.363 -3.705 -7.151 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.895 -0.695 -6.840 1.00 0.00 C ATOM 0 H ILE A 32 -4.604 -1.383 -6.689 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.645 -3.407 -8.534 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.557 -2.483 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.752 -1.543 -8.633 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.902 -0.668 -7.641 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.417 -3.351 -6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.645 -4.636 -6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.253 -3.879 -8.221 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.612 0.235 -7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.208 -0.484 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.041 -1.372 -6.825 1.00 0.00 H new ATOM 489 N PRO A 33 -4.017 -5.600 -7.225 1.00 0.00 N ATOM 490 CA PRO A 33 -4.434 -6.830 -6.526 1.00 0.00 C ATOM 491 C PRO A 33 -3.446 -7.256 -5.443 1.00 0.00 C ATOM 492 O PRO A 33 -2.316 -6.771 -5.387 1.00 0.00 O ATOM 493 CB PRO A 33 -4.473 -7.851 -7.657 1.00 0.00 C ATOM 494 CG PRO A 33 -3.543 -7.341 -8.753 1.00 0.00 C ATOM 495 CD PRO A 33 -3.345 -5.839 -8.525 1.00 0.00 C ATOM 0 HA PRO A 33 -5.379 -6.710 -5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.151 -8.830 -7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.488 -7.967 -8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.587 -7.864 -8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.972 -7.526 -9.738 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.288 -5.574 -8.486 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.793 -5.248 -9.324 1.00 0.00 H new ATOM 503 N ALA A 34 -3.890 -8.170 -4.584 1.00 0.00 N ATOM 504 CA ALA A 34 -3.040 -8.661 -3.499 1.00 0.00 C ATOM 505 C ALA A 34 -1.988 -9.655 -4.009 1.00 0.00 C ATOM 506 O ALA A 34 -1.144 -10.117 -3.242 1.00 0.00 O ATOM 507 CB ALA A 34 -3.891 -9.350 -2.431 1.00 0.00 C ATOM 0 H ALA A 34 -4.822 -8.583 -4.615 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.529 -7.798 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.247 -9.711 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.611 -8.640 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.422 -10.191 -2.876 1.00 0.00 H new ATOM 513 N GLU A 35 -2.038 -9.986 -5.303 1.00 0.00 N ATOM 514 CA GLU A 35 -1.074 -10.926 -5.869 1.00 0.00 C ATOM 515 C GLU A 35 0.264 -10.244 -6.189 1.00 0.00 C ATOM 516 O GLU A 35 1.181 -10.884 -6.703 1.00 0.00 O ATOM 517 CB GLU A 35 -1.630 -11.546 -7.152 1.00 0.00 C ATOM 518 CG GLU A 35 -2.768 -12.507 -6.805 1.00 0.00 C ATOM 519 CD GLU A 35 -3.271 -13.183 -8.075 1.00 0.00 C ATOM 520 OE1 GLU A 35 -2.729 -14.217 -8.427 1.00 0.00 O ATOM 521 OE2 GLU A 35 -4.191 -12.655 -8.678 1.00 0.00 O ATOM 0 H GLU A 35 -2.723 -9.623 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.901 -11.700 -5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.992 -10.764 -7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.840 -12.078 -7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.420 -13.257 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.581 -11.965 -6.323 1.00 0.00 H new ATOM 528 N ASP A 36 0.377 -8.946 -5.887 1.00 0.00 N ATOM 529 CA ASP A 36 1.616 -8.225 -6.161 1.00 0.00 C ATOM 530 C ASP A 36 2.103 -7.487 -4.915 1.00 0.00 C ATOM 531 O ASP A 36 2.785 -6.467 -5.013 1.00 0.00 O ATOM 532 CB ASP A 36 1.406 -7.212 -7.288 1.00 0.00 C ATOM 533 CG ASP A 36 1.029 -7.946 -8.570 1.00 0.00 C ATOM 534 OD1 ASP A 36 1.879 -8.640 -9.104 1.00 0.00 O ATOM 535 OD2 ASP A 36 -0.104 -7.805 -8.999 1.00 0.00 O ATOM 0 H ASP A 36 -0.361 -8.386 -5.461 1.00 0.00 H new ATOM 0 HA ASP A 36 2.366 -8.957 -6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.620 -6.507 -7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.315 -6.631 -7.443 1.00 0.00 H new ATOM 540 N ILE A 37 1.754 -8.012 -3.743 1.00 0.00 N ATOM 541 CA ILE A 37 2.172 -7.388 -2.491 1.00 0.00 C ATOM 542 C ILE A 37 3.705 -7.377 -2.359 1.00 0.00 C ATOM 543 O ILE A 37 4.281 -6.340 -2.032 1.00 0.00 O ATOM 544 CB ILE A 37 1.547 -8.108 -1.288 1.00 0.00 C ATOM 545 CG1 ILE A 37 0.025 -8.120 -1.445 1.00 0.00 C ATOM 546 CG2 ILE A 37 1.912 -7.373 0.006 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.558 -9.314 -0.687 1.00 0.00 C ATOM 0 H ILE A 37 1.191 -8.856 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 37 1.821 -6.356 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 37 1.926 -9.129 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.398 -7.191 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.242 -8.180 -2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.465 -7.889 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.996 -7.355 0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.535 -6.351 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.642 -9.322 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.145 -10.238 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.303 -9.234 0.370 1.00 0.00 H new ATOM 559 N PRO A 38 4.400 -8.505 -2.614 1.00 0.00 N ATOM 560 CA PRO A 38 5.873 -8.534 -2.507 1.00 0.00 C ATOM 561 C PRO A 38 6.564 -7.850 -3.689 1.00 0.00 C ATOM 562 O PRO A 38 7.726 -7.455 -3.599 1.00 0.00 O ATOM 563 CB PRO A 38 6.179 -10.026 -2.486 1.00 0.00 C ATOM 564 CG PRO A 38 5.006 -10.726 -3.154 1.00 0.00 C ATOM 565 CD PRO A 38 3.794 -9.801 -3.019 1.00 0.00 C ATOM 0 HA PRO A 38 6.236 -7.994 -1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.108 -10.237 -3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.308 -10.380 -1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.223 -10.926 -4.203 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.811 -11.688 -2.680 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.247 -9.714 -3.958 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.089 -10.167 -2.272 1.00 0.00 H new ATOM 573 N ARG A 39 5.836 -7.713 -4.796 1.00 0.00 N ATOM 574 CA ARG A 39 6.390 -7.072 -5.985 1.00 0.00 C ATOM 575 C ARG A 39 6.415 -5.553 -5.820 1.00 0.00 C ATOM 576 O ARG A 39 7.251 -4.866 -6.407 1.00 0.00 O ATOM 577 CB ARG A 39 5.556 -7.423 -7.219 1.00 0.00 C ATOM 578 CG ARG A 39 5.977 -8.795 -7.749 1.00 0.00 C ATOM 579 CD ARG A 39 5.495 -8.956 -9.191 1.00 0.00 C ATOM 580 NE ARG A 39 5.282 -10.366 -9.509 1.00 0.00 N ATOM 581 CZ ARG A 39 6.201 -11.066 -10.166 1.00 0.00 C ATOM 582 NH1 ARG A 39 6.389 -10.863 -11.441 1.00 0.00 N ATOM 583 NH2 ARG A 39 6.916 -11.957 -9.535 1.00 0.00 N ATOM 0 H ARG A 39 4.873 -8.033 -4.894 1.00 0.00 H new ATOM 0 HA ARG A 39 7.409 -7.437 -6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.496 -7.430 -6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.694 -6.666 -7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.061 -8.897 -7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.556 -9.583 -7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.567 -8.402 -9.334 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.229 -8.531 -9.875 1.00 0.00 H new ATOM 0 HE ARG A 39 4.415 -10.820 -9.222 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.830 -10.167 -11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.095 -11.401 -11.944 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.769 -12.116 -8.538 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.621 -12.495 -10.039 1.00 0.00 H new ATOM 597 N LEU A 40 5.488 -5.034 -5.016 1.00 0.00 N ATOM 598 CA LEU A 40 5.414 -3.592 -4.787 1.00 0.00 C ATOM 599 C LEU A 40 6.115 -3.214 -3.482 1.00 0.00 C ATOM 600 O LEU A 40 5.686 -2.304 -2.771 1.00 0.00 O ATOM 601 CB LEU A 40 3.953 -3.136 -4.718 1.00 0.00 C ATOM 602 CG LEU A 40 3.399 -2.960 -6.136 1.00 0.00 C ATOM 603 CD1 LEU A 40 2.579 -4.192 -6.525 1.00 0.00 C ATOM 604 CD2 LEU A 40 2.501 -1.720 -6.186 1.00 0.00 C ATOM 0 H LEU A 40 4.786 -5.582 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 40 5.913 -3.096 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.358 -3.869 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.881 -2.197 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 40 4.229 -2.839 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.186 -4.064 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.214 -5.077 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.751 -4.314 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.108 -1.596 -7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.674 -1.841 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.082 -0.839 -5.912 1.00 0.00 H new ATOM 616 N VAL A 41 7.201 -3.917 -3.176 1.00 0.00 N ATOM 617 CA VAL A 41 7.954 -3.642 -1.955 1.00 0.00 C ATOM 618 C VAL A 41 9.042 -2.606 -2.225 1.00 0.00 C ATOM 619 O VAL A 41 9.673 -2.607 -3.282 1.00 0.00 O ATOM 620 CB VAL A 41 8.603 -4.924 -1.421 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.238 -4.650 -0.056 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.538 -6.012 -1.270 1.00 0.00 C ATOM 0 H VAL A 41 7.577 -4.673 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 41 7.259 -3.254 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 41 9.370 -5.255 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.698 -5.563 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.998 -3.875 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.470 -4.316 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.000 -6.923 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.771 -5.676 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.083 -6.213 -2.240 1.00 0.00 H new ATOM 632 N SER A 42 9.252 -1.721 -1.253 1.00 0.00 N ATOM 633 CA SER A 42 10.266 -0.676 -1.388 1.00 0.00 C ATOM 634 C SER A 42 9.954 0.224 -2.580 1.00 0.00 C ATOM 635 O SER A 42 10.857 0.743 -3.238 1.00 0.00 O ATOM 636 CB SER A 42 11.653 -1.293 -1.578 1.00 0.00 C ATOM 637 OG SER A 42 11.831 -2.345 -0.638 1.00 0.00 O ATOM 0 H SER A 42 8.740 -1.705 -0.371 1.00 0.00 H new ATOM 0 HA SER A 42 10.256 -0.082 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.758 -1.675 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.423 -0.534 -1.442 1.00 0.00 H new ATOM 0 HG SER A 42 12.718 -2.744 -0.758 1.00 0.00 H new ATOM 643 N MET A 43 8.665 0.404 -2.850 1.00 0.00 N ATOM 644 CA MET A 43 8.239 1.245 -3.965 1.00 0.00 C ATOM 645 C MET A 43 7.928 2.656 -3.480 1.00 0.00 C ATOM 646 O MET A 43 7.345 2.846 -2.412 1.00 0.00 O ATOM 647 CB MET A 43 6.993 0.660 -4.631 1.00 0.00 C ATOM 648 CG MET A 43 7.346 -0.669 -5.300 1.00 0.00 C ATOM 649 SD MET A 43 8.413 -0.360 -6.729 1.00 0.00 S ATOM 650 CE MET A 43 7.134 -0.505 -8.002 1.00 0.00 C ATOM 0 H MET A 43 7.903 -0.016 -2.318 1.00 0.00 H new ATOM 0 HA MET A 43 9.053 1.282 -4.689 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.209 0.508 -3.889 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.602 1.358 -5.371 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.852 -1.323 -4.590 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.438 -1.182 -5.615 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.514 -1.099 -8.833 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.254 -0.991 -7.580 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.863 0.488 -8.360 1.00 0.00 H new ATOM 660 N GLN A 44 8.326 3.645 -4.276 1.00 0.00 N ATOM 661 CA GLN A 44 8.086 5.040 -3.918 1.00 0.00 C ATOM 662 C GLN A 44 6.734 5.503 -4.451 1.00 0.00 C ATOM 663 O GLN A 44 6.333 5.151 -5.559 1.00 0.00 O ATOM 664 CB GLN A 44 9.182 5.937 -4.496 1.00 0.00 C ATOM 665 CG GLN A 44 10.480 5.729 -3.712 1.00 0.00 C ATOM 666 CD GLN A 44 11.358 6.968 -3.843 1.00 0.00 C ATOM 667 OE1 GLN A 44 11.180 7.944 -3.114 1.00 0.00 O ATOM 668 NE2 GLN A 44 12.305 6.990 -4.741 1.00 0.00 N ATOM 0 H GLN A 44 8.811 3.509 -5.163 1.00 0.00 H new ATOM 0 HA GLN A 44 8.092 5.113 -2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.340 5.704 -5.549 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.877 6.982 -4.443 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.257 5.538 -2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.009 4.854 -4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.453 6.182 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.897 7.815 -4.838 1.00 0.00 H new ATOM 677 N VAL A 45 6.037 6.300 -3.644 1.00 0.00 N ATOM 678 CA VAL A 45 4.727 6.811 -4.041 1.00 0.00 C ATOM 679 C VAL A 45 4.843 8.258 -4.509 1.00 0.00 C ATOM 680 O VAL A 45 5.681 9.018 -4.024 1.00 0.00 O ATOM 681 CB VAL A 45 3.748 6.742 -2.868 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.491 5.279 -2.502 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.346 7.469 -1.660 1.00 0.00 C ATOM 0 H VAL A 45 6.352 6.603 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 45 4.356 6.193 -4.858 1.00 0.00 H new ATOM 0 HB VAL A 45 2.809 7.217 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.793 5.230 -1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.066 4.759 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.430 4.804 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.648 7.420 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.285 6.993 -1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.531 8.512 -1.918 1.00 0.00 H new ATOM 693 N ASN A 46 3.990 8.631 -5.459 1.00 0.00 N ATOM 694 CA ASN A 46 4.004 9.992 -5.989 1.00 0.00 C ATOM 695 C ASN A 46 3.275 10.958 -5.049 1.00 0.00 C ATOM 696 O ASN A 46 3.504 12.166 -5.090 1.00 0.00 O ATOM 697 CB ASN A 46 3.346 10.042 -7.375 1.00 0.00 C ATOM 698 CG ASN A 46 1.899 9.554 -7.295 1.00 0.00 C ATOM 699 OD1 ASN A 46 1.447 9.076 -6.255 1.00 0.00 O ATOM 700 ND2 ASN A 46 1.137 9.648 -8.350 1.00 0.00 N ATOM 0 H ASN A 46 3.288 8.018 -5.874 1.00 0.00 H new ATOM 0 HA ASN A 46 5.047 10.299 -6.073 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.372 11.061 -7.761 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.908 9.422 -8.074 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.170 9.326 -8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.508 10.044 -9.214 1.00 0.00 H new ATOM 707 N ARG A 47 2.399 10.417 -4.203 1.00 0.00 N ATOM 708 CA ARG A 47 1.653 11.251 -3.264 1.00 0.00 C ATOM 709 C ARG A 47 1.530 10.554 -1.913 1.00 0.00 C ATOM 710 O ARG A 47 2.046 9.454 -1.716 1.00 0.00 O ATOM 711 CB ARG A 47 0.252 11.547 -3.805 1.00 0.00 C ATOM 712 CG ARG A 47 -0.467 10.233 -4.122 1.00 0.00 C ATOM 713 CD ARG A 47 -1.432 10.448 -5.290 1.00 0.00 C ATOM 714 NE ARG A 47 -2.384 11.511 -4.983 1.00 0.00 N ATOM 715 CZ ARG A 47 -3.670 11.240 -4.773 1.00 0.00 C ATOM 716 NH1 ARG A 47 -4.012 10.346 -3.885 1.00 0.00 N ATOM 717 NH2 ARG A 47 -4.589 11.867 -5.456 1.00 0.00 N ATOM 0 H ARG A 47 2.191 9.420 -4.149 1.00 0.00 H new ATOM 0 HA ARG A 47 2.197 12.187 -3.140 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.318 12.117 -3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.321 12.161 -4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.259 9.460 -4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.012 9.884 -3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.871 10.703 -6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.968 9.523 -5.501 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.059 12.476 -4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.294 9.855 -3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.998 10.138 -3.724 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.321 12.564 -6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.575 11.659 -5.295 1.00 0.00 H new ATOM 731 N ALA A 48 0.838 11.208 -0.985 1.00 0.00 N ATOM 732 CA ALA A 48 0.650 10.644 0.349 1.00 0.00 C ATOM 733 C ALA A 48 -0.438 9.574 0.327 1.00 0.00 C ATOM 734 O ALA A 48 -1.583 9.839 -0.038 1.00 0.00 O ATOM 735 CB ALA A 48 0.252 11.738 1.341 1.00 0.00 C ATOM 0 H ALA A 48 0.402 12.119 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 48 1.594 10.197 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.116 11.300 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.036 12.494 1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.680 12.201 1.018 1.00 0.00 H new ATOM 741 N VAL A 49 -0.063 8.361 0.724 1.00 0.00 N ATOM 742 CA VAL A 49 -1.012 7.251 0.749 1.00 0.00 C ATOM 743 C VAL A 49 -1.269 6.803 2.194 1.00 0.00 C ATOM 744 O VAL A 49 -0.536 5.966 2.723 1.00 0.00 O ATOM 745 CB VAL A 49 -0.469 6.063 -0.051 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.551 4.988 -0.170 1.00 0.00 C ATOM 747 CG2 VAL A 49 -0.066 6.533 -1.451 1.00 0.00 C ATOM 0 H VAL A 49 0.880 8.123 1.030 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.945 7.594 0.301 1.00 0.00 H new ATOM 0 HB VAL A 49 0.400 5.649 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.163 4.143 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.841 4.652 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.420 5.402 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.321 5.688 -2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.936 6.947 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.705 7.299 -1.370 1.00 0.00 H new ATOM 757 N PRO A 50 -2.305 7.348 2.856 1.00 0.00 N ATOM 758 CA PRO A 50 -2.619 6.975 4.247 1.00 0.00 C ATOM 759 C PRO A 50 -3.389 5.659 4.344 1.00 0.00 C ATOM 760 O PRO A 50 -3.692 5.024 3.334 1.00 0.00 O ATOM 761 CB PRO A 50 -3.480 8.142 4.713 1.00 0.00 C ATOM 762 CG PRO A 50 -4.088 8.775 3.468 1.00 0.00 C ATOM 763 CD PRO A 50 -3.223 8.357 2.274 1.00 0.00 C ATOM 0 HA PRO A 50 -1.724 6.810 4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.261 7.798 5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.880 8.869 5.261 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.117 8.443 3.332 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.113 9.861 3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.825 7.936 1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.678 9.203 1.856 1.00 0.00 H new ATOM 771 N LEU A 51 -3.695 5.257 5.575 1.00 0.00 N ATOM 772 CA LEU A 51 -4.428 4.014 5.800 1.00 0.00 C ATOM 773 C LEU A 51 -5.809 4.082 5.158 1.00 0.00 C ATOM 774 O LEU A 51 -6.393 5.156 5.016 1.00 0.00 O ATOM 775 CB LEU A 51 -4.587 3.751 7.300 1.00 0.00 C ATOM 776 CG LEU A 51 -3.214 3.496 7.924 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.663 4.801 8.499 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.347 2.462 9.046 1.00 0.00 C ATOM 0 H LEU A 51 -3.450 5.767 6.424 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.859 3.203 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.063 4.605 7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.237 2.891 7.462 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.534 3.120 7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.685 4.618 8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.567 5.538 7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.344 5.178 9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.369 2.280 9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.028 2.839 9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.739 1.530 8.638 1.00 0.00 H new ATOM 790 N GLY A 52 -6.325 2.918 4.772 1.00 0.00 N ATOM 791 CA GLY A 52 -7.642 2.849 4.143 1.00 0.00 C ATOM 792 C GLY A 52 -7.623 3.522 2.776 1.00 0.00 C ATOM 793 O GLY A 52 -8.565 4.219 2.398 1.00 0.00 O ATOM 0 H GLY A 52 -5.858 2.018 4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.945 1.807 4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.381 3.333 4.782 1.00 0.00 H new ATOM 797 N THR A 53 -6.539 3.304 2.037 1.00 0.00 N ATOM 798 CA THR A 53 -6.403 3.895 0.709 1.00 0.00 C ATOM 799 C THR A 53 -6.020 2.827 -0.312 1.00 0.00 C ATOM 800 O THR A 53 -4.971 2.192 -0.203 1.00 0.00 O ATOM 801 CB THR A 53 -5.331 4.987 0.714 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.521 5.827 1.844 1.00 0.00 O ATOM 803 CG2 THR A 53 -5.438 5.816 -0.567 1.00 0.00 C ATOM 0 H THR A 53 -5.750 2.729 2.331 1.00 0.00 H new ATOM 0 HA THR A 53 -7.363 4.332 0.436 1.00 0.00 H new ATOM 0 HB THR A 53 -4.343 4.529 0.764 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.148 5.394 2.640 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.674 6.593 -0.562 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.292 5.169 -1.432 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.424 6.277 -0.621 1.00 0.00 H new ATOM 811 N THR A 54 -6.885 2.637 -1.305 1.00 0.00 N ATOM 812 CA THR A 54 -6.630 1.643 -2.344 1.00 0.00 C ATOM 813 C THR A 54 -5.363 1.995 -3.119 1.00 0.00 C ATOM 814 O THR A 54 -5.333 2.961 -3.881 1.00 0.00 O ATOM 815 CB THR A 54 -7.808 1.571 -3.318 1.00 0.00 C ATOM 816 OG1 THR A 54 -9.026 1.600 -2.587 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.726 0.277 -4.129 1.00 0.00 C ATOM 0 H THR A 54 -7.759 3.152 -1.412 1.00 0.00 H new ATOM 0 HA THR A 54 -6.502 0.675 -1.859 1.00 0.00 H new ATOM 0 HB THR A 54 -7.771 2.423 -3.997 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.782 1.556 -3.209 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.566 0.228 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.791 0.258 -4.690 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.762 -0.578 -3.454 1.00 0.00 H new ATOM 825 N LEU A 55 -4.320 1.196 -2.915 1.00 0.00 N ATOM 826 CA LEU A 55 -3.050 1.427 -3.600 1.00 0.00 C ATOM 827 C LEU A 55 -3.208 1.207 -5.100 1.00 0.00 C ATOM 828 O LEU A 55 -3.471 0.093 -5.554 1.00 0.00 O ATOM 829 CB LEU A 55 -1.975 0.478 -3.068 1.00 0.00 C ATOM 830 CG LEU A 55 -0.595 0.973 -3.502 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.185 2.166 -2.636 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.427 -0.153 -3.331 1.00 0.00 C ATOM 0 H LEU A 55 -4.327 0.391 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.749 2.458 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.028 0.425 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.146 -0.530 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.631 1.277 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.799 2.519 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.913 2.969 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.149 1.861 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.411 0.199 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.462 -0.457 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.136 -1.005 -3.946 1.00 0.00 H new ATOM 844 N MET A 56 -3.040 2.281 -5.865 1.00 0.00 N ATOM 845 CA MET A 56 -3.164 2.197 -7.317 1.00 0.00 C ATOM 846 C MET A 56 -1.786 2.020 -7.960 1.00 0.00 C ATOM 847 O MET A 56 -0.768 2.350 -7.351 1.00 0.00 O ATOM 848 CB MET A 56 -3.815 3.463 -7.874 1.00 0.00 C ATOM 849 CG MET A 56 -5.185 3.664 -7.223 1.00 0.00 C ATOM 850 SD MET A 56 -6.097 4.947 -8.118 1.00 0.00 S ATOM 851 CE MET A 56 -7.760 4.322 -7.774 1.00 0.00 C ATOM 0 H MET A 56 -2.820 3.211 -5.509 1.00 0.00 H new ATOM 0 HA MET A 56 -3.789 1.336 -7.552 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.179 4.327 -7.680 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.923 3.383 -8.956 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.746 2.729 -7.235 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.064 3.950 -6.178 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.498 4.974 -8.241 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.860 3.314 -8.177 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.925 4.301 -6.697 1.00 0.00 H new ATOM 861 N PRO A 57 -1.728 1.502 -9.199 1.00 0.00 N ATOM 862 CA PRO A 57 -0.445 1.299 -9.898 1.00 0.00 C ATOM 863 C PRO A 57 0.083 2.580 -10.539 1.00 0.00 C ATOM 864 O PRO A 57 1.288 2.750 -10.720 1.00 0.00 O ATOM 865 CB PRO A 57 -0.812 0.270 -10.960 1.00 0.00 C ATOM 866 CG PRO A 57 -2.312 0.389 -11.202 1.00 0.00 C ATOM 867 CD PRO A 57 -2.918 1.090 -9.981 1.00 0.00 C ATOM 0 HA PRO A 57 0.354 0.984 -9.226 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.258 0.453 -11.881 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.554 -0.735 -10.627 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.510 0.959 -12.110 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.758 -0.596 -11.340 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.526 1.947 -10.270 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.562 0.420 -9.411 1.00 0.00 H new ATOM 875 N ASP A 58 -0.837 3.481 -10.877 1.00 0.00 N ATOM 876 CA ASP A 58 -0.455 4.748 -11.495 1.00 0.00 C ATOM 877 C ASP A 58 0.238 5.648 -10.477 1.00 0.00 C ATOM 878 O ASP A 58 1.131 6.423 -10.818 1.00 0.00 O ATOM 879 CB ASP A 58 -1.689 5.470 -12.041 1.00 0.00 C ATOM 880 CG ASP A 58 -2.727 5.613 -10.932 1.00 0.00 C ATOM 881 OD1 ASP A 58 -3.527 4.705 -10.777 1.00 0.00 O ATOM 882 OD2 ASP A 58 -2.706 6.628 -10.257 1.00 0.00 O ATOM 0 H ASP A 58 -1.840 3.360 -10.736 1.00 0.00 H new ATOM 0 HA ASP A 58 0.230 4.531 -12.314 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.410 6.453 -12.421 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.110 4.912 -12.878 1.00 0.00 H new ATOM 887 N MET A 59 -0.186 5.535 -9.221 1.00 0.00 N ATOM 888 CA MET A 59 0.400 6.342 -8.153 1.00 0.00 C ATOM 889 C MET A 59 1.792 5.828 -7.801 1.00 0.00 C ATOM 890 O MET A 59 2.684 6.599 -7.447 1.00 0.00 O ATOM 891 CB MET A 59 -0.479 6.297 -6.903 1.00 0.00 C ATOM 892 CG MET A 59 -1.728 7.152 -7.124 1.00 0.00 C ATOM 893 SD MET A 59 -2.985 6.717 -5.897 1.00 0.00 S ATOM 894 CE MET A 59 -1.992 7.060 -4.422 1.00 0.00 C ATOM 0 H MET A 59 -0.925 4.900 -8.919 1.00 0.00 H new ATOM 0 HA MET A 59 0.471 7.370 -8.508 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.764 5.268 -6.683 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.078 6.664 -6.041 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.476 8.209 -7.043 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.117 6.993 -8.130 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.658 6.121 -3.982 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.125 7.660 -4.699 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.595 7.607 -3.697 1.00 0.00 H new ATOM 904 N VAL A 60 1.967 4.514 -7.905 1.00 0.00 N ATOM 905 CA VAL A 60 3.256 3.899 -7.597 1.00 0.00 C ATOM 906 C VAL A 60 4.212 4.059 -8.775 1.00 0.00 C ATOM 907 O VAL A 60 4.090 3.375 -9.791 1.00 0.00 O ATOM 908 CB VAL A 60 3.078 2.409 -7.289 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.405 1.815 -6.812 1.00 0.00 C ATOM 910 CG2 VAL A 60 2.025 2.240 -6.190 1.00 0.00 C ATOM 0 H VAL A 60 1.241 3.859 -8.197 1.00 0.00 H new ATOM 0 HA VAL A 60 3.672 4.399 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 60 2.755 1.892 -8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.272 0.755 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.158 1.934 -7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.732 2.332 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.897 1.180 -5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.351 2.761 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.077 2.658 -6.528 1.00 0.00 H new ATOM 920 N LYS A 61 5.166 4.974 -8.626 1.00 0.00 N ATOM 921 CA LYS A 61 6.143 5.222 -9.683 1.00 0.00 C ATOM 922 C LYS A 61 7.022 3.994 -9.896 1.00 0.00 C ATOM 923 O LYS A 61 7.700 3.530 -8.979 1.00 0.00 O ATOM 924 CB LYS A 61 7.032 6.414 -9.321 1.00 0.00 C ATOM 925 CG LYS A 61 6.179 7.681 -9.238 1.00 0.00 C ATOM 926 CD LYS A 61 7.004 8.883 -9.703 1.00 0.00 C ATOM 927 CE LYS A 61 6.756 9.128 -11.193 1.00 0.00 C ATOM 928 NZ LYS A 61 7.748 8.357 -11.994 1.00 0.00 N ATOM 0 H LYS A 61 5.284 5.551 -7.793 1.00 0.00 H new ATOM 0 HA LYS A 61 5.597 5.441 -10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.529 6.234 -8.368 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.814 6.538 -10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.290 7.575 -9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.837 7.835 -8.215 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.732 9.768 -9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.064 8.701 -9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.743 8.825 -11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.840 10.192 -11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.789 8.742 -12.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.686 8.432 -11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.462 7.358 -12.032 1.00 0.00 H new ATOM 942 N GLY A 62 7.000 3.472 -11.119 1.00 0.00 N ATOM 943 CA GLY A 62 7.797 2.293 -11.449 1.00 0.00 C ATOM 944 C GLY A 62 6.903 1.076 -11.652 1.00 0.00 C ATOM 945 O GLY A 62 7.214 0.183 -12.442 1.00 0.00 O ATOM 0 H GLY A 62 6.445 3.841 -11.891 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.375 2.481 -12.354 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.511 2.096 -10.650 1.00 0.00 H new ATOM 949 N TYR A 63 5.785 1.049 -10.931 1.00 0.00 N ATOM 950 CA TYR A 63 4.847 -0.064 -11.037 1.00 0.00 C ATOM 951 C TYR A 63 3.834 0.199 -12.148 1.00 0.00 C ATOM 952 O TYR A 63 3.492 1.345 -12.437 1.00 0.00 O ATOM 953 CB TYR A 63 4.100 -0.262 -9.717 1.00 0.00 C ATOM 954 CG TYR A 63 3.312 -1.549 -9.771 1.00 0.00 C ATOM 955 CD1 TYR A 63 3.948 -2.785 -9.481 1.00 0.00 C ATOM 956 CD2 TYR A 63 1.933 -1.521 -10.112 1.00 0.00 C ATOM 957 CE1 TYR A 63 3.205 -3.996 -9.533 1.00 0.00 C ATOM 958 CE2 TYR A 63 1.190 -2.731 -10.163 1.00 0.00 C ATOM 959 CZ TYR A 63 1.826 -3.968 -9.874 1.00 0.00 C ATOM 960 OH TYR A 63 1.104 -5.144 -9.924 1.00 0.00 O ATOM 0 H TYR A 63 5.509 1.778 -10.273 1.00 0.00 H new ATOM 0 HA TYR A 63 5.416 -0.964 -11.269 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.807 -0.291 -8.888 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.431 0.579 -9.536 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.996 -2.805 -9.221 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.450 -0.581 -10.332 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.688 -4.936 -9.313 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.142 -2.710 -10.422 1.00 0.00 H new ATOM 0 HH TYR A 63 0.146 -4.939 -9.932 1.00 0.00 H new ATOM 970 N ALA A 64 3.360 -0.878 -12.767 1.00 0.00 N ATOM 971 CA ALA A 64 2.385 -0.756 -13.848 1.00 0.00 C ATOM 972 C ALA A 64 1.758 -2.113 -14.155 1.00 0.00 C ATOM 973 O ALA A 64 2.377 -2.969 -14.788 1.00 0.00 O ATOM 974 CB ALA A 64 3.053 -0.218 -15.113 1.00 0.00 C ATOM 0 H ALA A 64 3.631 -1.835 -12.543 1.00 0.00 H new ATOM 0 HA ALA A 64 1.609 -0.062 -13.525 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.312 -0.134 -15.908 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.480 0.764 -14.909 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.844 -0.900 -15.425 1.00 0.00 H new ATOM 980 N ALA A 65 0.524 -2.299 -13.698 1.00 0.00 N ATOM 981 CA ALA A 65 -0.183 -3.556 -13.929 1.00 0.00 C ATOM 982 C ALA A 65 -1.624 -3.453 -13.440 1.00 0.00 C ATOM 983 O ALA A 65 -1.939 -2.474 -12.787 1.00 0.00 O ATOM 984 CB ALA A 65 0.512 -4.703 -13.193 1.00 0.00 C ATOM 0 H ALA A 65 -0.004 -1.604 -13.171 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.176 -3.755 -15.001 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.027 -5.632 -13.376 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.536 -4.800 -13.555 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.524 -4.495 -12.123 1.00 0.00 H new TER 990 ALA A 65