USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 532 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 53 SER OG : rot 180:sc= 0.897 USER MOD Set 1.2: A 56 THR OG1 : rot 80:sc= 0.887 USER MOD Set 2.1: A 37 SER OG : rot 160:sc= 0.047 USER MOD Set 2.2: A 40 ASN : amide:sc= 0 X(o=0.047,f=-0.41) USER MOD Set 3.1: A 13 THR OG1 : rot -19:sc= 0.0579 USER MOD Set 3.2: A 17 CYS SG : rot -160:sc= 0.32 USER MOD Set 4.1: A 8 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.64) USER MOD Set 4.2: A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 139:sc= 0.00602 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.336 K(o=-0.34,f=-4.1!) USER MOD Single : A 5 THR OG1 : rot 27:sc= 1.17 USER MOD Single : A 12 MET CE :methyl 176:sc= -0.0681 (180deg=-0.081) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0198 USER MOD Single : A 15 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.014) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0013 USER MOD Single : A 19 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.14) USER MOD Single : A 20 SER OG : rot 82:sc= 0.609 USER MOD Single : A 26 SER OG : rot 81:sc= 1.07 USER MOD Single : A 27 LYS NZ :NH3+ 139:sc= -0.0616 (180deg=-0.165) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= -0.121 (180deg=-0.347) USER MOD Single : A 33 SER OG : rot 86:sc= 0.596 USER MOD Single : A 41 SER OG : rot 9:sc= 0.516 USER MOD Single : A 42 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc=0.000685 USER MOD Single : A 64 MET CE :methyl -171:sc= -0.179 (180deg=-0.425) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.343 -23.676 0.339 1.00 0.00 N ATOM 2 CA LEU A 1 5.335 -22.875 -0.376 1.00 0.00 C ATOM 3 C LEU A 1 4.659 -21.885 0.570 1.00 0.00 C ATOM 4 O LEU A 1 4.294 -22.253 1.686 1.00 0.00 O ATOM 5 CB LEU A 1 4.299 -23.794 -1.045 1.00 0.00 C ATOM 6 CG LEU A 1 3.213 -23.051 -1.845 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.795 -22.288 -3.041 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.181 -24.065 -2.349 1.00 0.00 C ATOM 0 H1 LEU A 1 6.290 -24.665 0.021 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.291 -23.298 0.140 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.160 -23.632 1.362 1.00 0.00 H new ATOM 0 HA LEU A 1 5.837 -22.302 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.818 -24.482 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.817 -24.399 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 1 2.749 -22.322 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.992 -21.780 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.517 -21.552 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.291 -22.988 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.408 -23.546 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.673 -24.797 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.727 -24.575 -1.499 1.00 0.00 H new ATOM 22 N THR A 2 4.487 -20.637 0.118 1.00 0.00 N ATOM 23 CA THR A 2 3.838 -19.586 0.883 1.00 0.00 C ATOM 24 C THR A 2 2.390 -19.421 0.431 1.00 0.00 C ATOM 25 O THR A 2 2.113 -19.316 -0.763 1.00 0.00 O ATOM 26 CB THR A 2 4.593 -18.260 0.730 1.00 0.00 C ATOM 27 OG1 THR A 2 4.776 -17.956 -0.638 1.00 0.00 O ATOM 28 CG2 THR A 2 5.953 -18.310 1.429 1.00 0.00 C ATOM 0 H THR A 2 4.802 -20.333 -0.803 1.00 0.00 H new ATOM 0 HA THR A 2 3.849 -19.871 1.935 1.00 0.00 H new ATOM 0 HB THR A 2 3.992 -17.481 1.200 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.257 -17.107 -0.723 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.463 -17.355 1.302 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.809 -18.506 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.558 -19.105 0.992 1.00 0.00 H new ATOM 36 N GLN A 3 1.483 -19.375 1.409 1.00 0.00 N ATOM 37 CA GLN A 3 0.081 -19.028 1.248 1.00 0.00 C ATOM 38 C GLN A 3 -0.066 -17.530 1.502 1.00 0.00 C ATOM 39 O GLN A 3 0.772 -16.931 2.173 1.00 0.00 O ATOM 40 CB GLN A 3 -0.747 -19.828 2.265 1.00 0.00 C ATOM 41 CG GLN A 3 -1.129 -21.228 1.767 1.00 0.00 C ATOM 42 CD GLN A 3 0.020 -21.979 1.094 1.00 0.00 C ATOM 43 OE1 GLN A 3 0.986 -22.367 1.744 1.00 0.00 O ATOM 44 NE2 GLN A 3 -0.077 -22.185 -0.222 1.00 0.00 N ATOM 0 H GLN A 3 1.723 -19.590 2.377 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.271 -19.265 0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.181 -19.921 3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.655 -19.273 2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.491 -21.817 2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.955 -21.139 1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.894 -21.849 -0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.666 -22.678 -0.717 1.00 0.00 H new ATOM 53 N GLU A 4 -1.135 -16.932 0.967 1.00 0.00 N ATOM 54 CA GLU A 4 -1.470 -15.531 1.181 1.00 0.00 C ATOM 55 C GLU A 4 -2.651 -15.437 2.145 1.00 0.00 C ATOM 56 O GLU A 4 -3.560 -16.266 2.094 1.00 0.00 O ATOM 57 CB GLU A 4 -1.773 -14.851 -0.160 1.00 0.00 C ATOM 58 CG GLU A 4 -2.041 -13.350 0.026 1.00 0.00 C ATOM 59 CD GLU A 4 -2.105 -12.617 -1.310 1.00 0.00 C ATOM 60 OE1 GLU A 4 -1.025 -12.443 -1.916 1.00 0.00 O ATOM 61 OE2 GLU A 4 -3.231 -12.243 -1.703 1.00 0.00 O ATOM 0 H GLU A 4 -1.798 -17.420 0.365 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.624 -15.009 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.933 -14.991 -0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.640 -15.323 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.980 -13.212 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.255 -12.914 0.643 1.00 0.00 H new ATOM 68 N THR A 5 -2.636 -14.423 3.017 1.00 0.00 N ATOM 69 CA THR A 5 -3.750 -14.085 3.893 1.00 0.00 C ATOM 70 C THR A 5 -3.892 -12.568 3.949 1.00 0.00 C ATOM 71 O THR A 5 -2.895 -11.848 3.912 1.00 0.00 O ATOM 72 CB THR A 5 -3.564 -14.697 5.291 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.692 -14.426 6.097 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.324 -14.165 6.017 1.00 0.00 C ATOM 0 H THR A 5 -1.832 -13.806 3.131 1.00 0.00 H new ATOM 0 HA THR A 5 -4.671 -14.509 3.492 1.00 0.00 H new ATOM 0 HB THR A 5 -3.438 -15.769 5.137 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.482 -14.317 5.528 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.247 -14.634 6.998 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.433 -14.397 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.408 -13.085 6.137 1.00 0.00 H new ATOM 82 N VAL A 6 -5.140 -12.100 4.038 1.00 0.00 N ATOM 83 CA VAL A 6 -5.489 -10.702 4.184 1.00 0.00 C ATOM 84 C VAL A 6 -6.045 -10.525 5.594 1.00 0.00 C ATOM 85 O VAL A 6 -7.089 -11.086 5.924 1.00 0.00 O ATOM 86 CB VAL A 6 -6.500 -10.288 3.102 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.871 -8.806 3.243 1.00 0.00 C ATOM 88 CG2 VAL A 6 -5.930 -10.524 1.697 1.00 0.00 C ATOM 0 H VAL A 6 -5.955 -12.712 4.008 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.621 -10.057 4.051 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.390 -10.902 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.587 -8.535 2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.315 -8.634 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.974 -8.195 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.665 -10.223 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.021 -9.935 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.698 -11.582 1.571 1.00 0.00 H new ATOM 98 N ILE A 7 -5.342 -9.742 6.415 1.00 0.00 N ATOM 99 CA ILE A 7 -5.769 -9.369 7.753 1.00 0.00 C ATOM 100 C ILE A 7 -6.353 -7.964 7.644 1.00 0.00 C ATOM 101 O ILE A 7 -5.682 -7.076 7.134 1.00 0.00 O ATOM 102 CB ILE A 7 -4.566 -9.369 8.717 1.00 0.00 C ATOM 103 CG1 ILE A 7 -3.675 -10.619 8.605 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.042 -9.165 10.164 1.00 0.00 C ATOM 105 CD1 ILE A 7 -4.380 -11.937 8.929 1.00 0.00 C ATOM 0 H ILE A 7 -4.440 -9.343 6.156 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.503 -10.074 8.143 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.936 -8.532 8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.277 -10.675 7.592 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.824 -10.503 9.276 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.182 -9.167 10.834 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.562 -8.211 10.245 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.720 -9.972 10.441 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.675 -12.762 8.824 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.754 -11.908 9.952 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.214 -12.082 8.242 1.00 0.00 H new ATOM 117 N ASN A 8 -7.580 -7.747 8.119 1.00 0.00 N ATOM 118 CA ASN A 8 -8.148 -6.412 8.249 1.00 0.00 C ATOM 119 C ASN A 8 -7.540 -5.765 9.489 1.00 0.00 C ATOM 120 O ASN A 8 -7.775 -6.235 10.602 1.00 0.00 O ATOM 121 CB ASN A 8 -9.676 -6.482 8.363 1.00 0.00 C ATOM 122 CG ASN A 8 -10.332 -6.962 7.071 1.00 0.00 C ATOM 123 OD1 ASN A 8 -9.936 -6.557 5.979 1.00 0.00 O ATOM 124 ND2 ASN A 8 -11.336 -7.832 7.187 1.00 0.00 N ATOM 0 H ASN A 8 -8.205 -8.494 8.423 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.918 -5.817 7.365 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.947 -7.154 9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.064 -5.497 8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.804 -8.185 6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.636 -8.144 8.110 1.00 0.00 H new ATOM 131 N ILE A 9 -6.748 -4.704 9.284 1.00 0.00 N ATOM 132 CA ILE A 9 -6.011 -4.001 10.322 1.00 0.00 C ATOM 133 C ILE A 9 -6.563 -2.581 10.385 1.00 0.00 C ATOM 134 O ILE A 9 -6.163 -1.731 9.592 1.00 0.00 O ATOM 135 CB ILE A 9 -4.497 -3.991 10.018 1.00 0.00 C ATOM 136 CG1 ILE A 9 -3.955 -5.399 9.720 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.758 -3.384 11.221 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.481 -5.385 9.302 1.00 0.00 C ATOM 0 H ILE A 9 -6.603 -4.304 8.357 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.134 -4.503 11.282 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.330 -3.391 9.123 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.072 -6.025 10.605 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.550 -5.853 8.927 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.687 -3.370 11.021 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.109 -2.366 11.388 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.953 -3.985 12.109 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.149 -6.404 9.104 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.364 -4.783 8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.879 -4.957 10.104 1.00 0.00 H new ATOM 150 N ASP A 10 -7.472 -2.319 11.328 1.00 0.00 N ATOM 151 CA ASP A 10 -8.000 -0.980 11.555 1.00 0.00 C ATOM 152 C ASP A 10 -7.282 -0.351 12.751 1.00 0.00 C ATOM 153 O ASP A 10 -6.695 -1.053 13.574 1.00 0.00 O ATOM 154 CB ASP A 10 -9.524 -1.025 11.712 1.00 0.00 C ATOM 155 CG ASP A 10 -10.186 -1.595 10.458 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.354 -0.811 9.498 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.503 -2.804 10.478 1.00 0.00 O ATOM 0 H ASP A 10 -7.858 -3.029 11.951 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.807 -0.343 10.692 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.786 -1.636 12.576 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.903 -0.021 11.904 1.00 0.00 H new ATOM 162 N GLY A 11 -7.308 0.984 12.823 1.00 0.00 N ATOM 163 CA GLY A 11 -6.586 1.755 13.823 1.00 0.00 C ATOM 164 C GLY A 11 -5.172 2.140 13.373 1.00 0.00 C ATOM 165 O GLY A 11 -4.376 2.581 14.200 1.00 0.00 O ATOM 0 H GLY A 11 -7.842 1.562 12.174 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.148 2.660 14.052 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.524 1.177 14.745 1.00 0.00 H new ATOM 169 N MET A 12 -4.855 2.001 12.077 1.00 0.00 N ATOM 170 CA MET A 12 -3.614 2.507 11.503 1.00 0.00 C ATOM 171 C MET A 12 -3.782 4.010 11.273 1.00 0.00 C ATOM 172 O MET A 12 -4.164 4.434 10.184 1.00 0.00 O ATOM 173 CB MET A 12 -3.286 1.776 10.193 1.00 0.00 C ATOM 174 CG MET A 12 -3.043 0.279 10.412 1.00 0.00 C ATOM 175 SD MET A 12 -2.208 -0.568 9.040 1.00 0.00 S ATOM 176 CE MET A 12 -3.439 -0.412 7.727 1.00 0.00 C ATOM 0 H MET A 12 -5.458 1.532 11.401 1.00 0.00 H new ATOM 0 HA MET A 12 -2.781 2.329 12.183 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.107 1.910 9.489 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.401 2.224 9.740 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.447 0.151 11.316 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.002 -0.208 10.591 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.037 -0.824 6.801 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.340 -0.958 8.006 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.683 0.640 7.580 1.00 0.00 H new ATOM 186 N THR A 13 -3.519 4.810 12.312 1.00 0.00 N ATOM 187 CA THR A 13 -3.763 6.247 12.308 1.00 0.00 C ATOM 188 C THR A 13 -2.981 6.959 11.199 1.00 0.00 C ATOM 189 O THR A 13 -3.568 7.728 10.438 1.00 0.00 O ATOM 190 CB THR A 13 -3.448 6.849 13.686 1.00 0.00 C ATOM 191 OG1 THR A 13 -2.134 6.522 14.091 1.00 0.00 O ATOM 192 CG2 THR A 13 -4.437 6.362 14.750 1.00 0.00 C ATOM 0 H THR A 13 -3.125 4.468 13.189 1.00 0.00 H new ATOM 0 HA THR A 13 -4.821 6.402 12.097 1.00 0.00 H new ATOM 0 HB THR A 13 -3.539 7.931 13.589 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.817 5.748 13.580 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.185 6.807 15.712 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.448 6.656 14.468 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.383 5.276 14.827 1.00 0.00 H new ATOM 200 N CYS A 14 -1.668 6.710 11.118 1.00 0.00 N ATOM 201 CA CYS A 14 -0.762 7.367 10.182 1.00 0.00 C ATOM 202 C CYS A 14 0.133 6.336 9.498 1.00 0.00 C ATOM 203 O CYS A 14 0.159 5.169 9.883 1.00 0.00 O ATOM 204 CB CYS A 14 0.095 8.395 10.937 1.00 0.00 C ATOM 205 SG CYS A 14 -0.941 9.730 11.589 1.00 0.00 S ATOM 0 H CYS A 14 -1.200 6.030 11.717 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.346 7.877 9.416 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.624 7.905 11.754 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.851 8.807 10.269 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.197 10.586 12.225 1.00 0.00 H new ATOM 211 N ASN A 15 0.886 6.787 8.487 1.00 0.00 N ATOM 212 CA ASN A 15 1.863 5.977 7.768 1.00 0.00 C ATOM 213 C ASN A 15 2.935 5.408 8.703 1.00 0.00 C ATOM 214 O ASN A 15 3.516 4.370 8.402 1.00 0.00 O ATOM 215 CB ASN A 15 2.504 6.807 6.650 1.00 0.00 C ATOM 216 CG ASN A 15 1.463 7.271 5.634 1.00 0.00 C ATOM 217 OD1 ASN A 15 1.028 8.419 5.671 1.00 0.00 O ATOM 218 ND2 ASN A 15 1.058 6.380 4.728 1.00 0.00 N ATOM 0 H ASN A 15 0.828 7.745 8.143 1.00 0.00 H new ATOM 0 HA ASN A 15 1.338 5.128 7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.006 7.673 7.080 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.267 6.214 6.146 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.361 6.642 4.031 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.445 5.436 4.732 1.00 0.00 H new ATOM 225 N SER A 16 3.185 6.067 9.843 1.00 0.00 N ATOM 226 CA SER A 16 4.034 5.546 10.906 1.00 0.00 C ATOM 227 C SER A 16 3.619 4.120 11.281 1.00 0.00 C ATOM 228 O SER A 16 4.466 3.235 11.376 1.00 0.00 O ATOM 229 CB SER A 16 3.947 6.475 12.121 1.00 0.00 C ATOM 230 OG SER A 16 4.241 7.803 11.736 1.00 0.00 O ATOM 0 H SER A 16 2.795 6.987 10.048 1.00 0.00 H new ATOM 0 HA SER A 16 5.066 5.508 10.557 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.949 6.426 12.556 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.646 6.147 12.890 1.00 0.00 H new ATOM 0 HG SER A 16 4.182 8.391 12.518 1.00 0.00 H new ATOM 236 N CYS A 17 2.310 3.901 11.474 1.00 0.00 N ATOM 237 CA CYS A 17 1.746 2.599 11.803 1.00 0.00 C ATOM 238 C CYS A 17 2.058 1.600 10.694 1.00 0.00 C ATOM 239 O CYS A 17 2.554 0.512 10.970 1.00 0.00 O ATOM 240 CB CYS A 17 0.228 2.694 12.007 1.00 0.00 C ATOM 241 SG CYS A 17 -0.173 3.882 13.313 1.00 0.00 S ATOM 0 H CYS A 17 1.610 4.639 11.403 1.00 0.00 H new ATOM 0 HA CYS A 17 2.197 2.258 12.735 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.250 2.996 11.075 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.171 1.713 12.267 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.373 3.650 13.757 1.00 0.00 H new ATOM 247 N VAL A 18 1.770 1.982 9.443 1.00 0.00 N ATOM 248 CA VAL A 18 1.961 1.157 8.259 1.00 0.00 C ATOM 249 C VAL A 18 3.396 0.626 8.206 1.00 0.00 C ATOM 250 O VAL A 18 3.601 -0.585 8.121 1.00 0.00 O ATOM 251 CB VAL A 18 1.605 1.969 6.999 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.858 1.167 5.717 1.00 0.00 C ATOM 253 CG2 VAL A 18 0.138 2.414 7.024 1.00 0.00 C ATOM 0 H VAL A 18 1.387 2.902 9.228 1.00 0.00 H new ATOM 0 HA VAL A 18 1.297 0.294 8.304 1.00 0.00 H new ATOM 0 HB VAL A 18 2.252 2.846 7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.595 1.774 4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.911 0.892 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.248 0.264 5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.084 2.985 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.508 1.537 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.038 3.037 7.901 1.00 0.00 H new ATOM 263 N GLN A 19 4.375 1.538 8.267 1.00 0.00 N ATOM 264 CA GLN A 19 5.795 1.222 8.214 1.00 0.00 C ATOM 265 C GLN A 19 6.211 0.304 9.366 1.00 0.00 C ATOM 266 O GLN A 19 6.912 -0.681 9.136 1.00 0.00 O ATOM 267 CB GLN A 19 6.624 2.513 8.202 1.00 0.00 C ATOM 268 CG GLN A 19 6.414 3.349 6.929 1.00 0.00 C ATOM 269 CD GLN A 19 6.863 2.613 5.667 1.00 0.00 C ATOM 270 OE1 GLN A 19 8.043 2.625 5.327 1.00 0.00 O ATOM 271 NE2 GLN A 19 5.923 1.973 4.968 1.00 0.00 N ATOM 0 H GLN A 19 4.190 2.537 8.357 1.00 0.00 H new ATOM 0 HA GLN A 19 5.988 0.679 7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.362 3.115 9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.680 2.261 8.295 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.359 3.609 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.967 4.284 7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.954 1.987 5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.174 1.470 4.117 1.00 0.00 H new ATOM 280 N SER A 20 5.780 0.612 10.595 1.00 0.00 N ATOM 281 CA SER A 20 6.074 -0.211 11.761 1.00 0.00 C ATOM 282 C SER A 20 5.565 -1.642 11.571 1.00 0.00 C ATOM 283 O SER A 20 6.310 -2.592 11.803 1.00 0.00 O ATOM 284 CB SER A 20 5.474 0.421 13.021 1.00 0.00 C ATOM 285 OG SER A 20 6.066 1.680 13.257 1.00 0.00 O ATOM 0 H SER A 20 5.219 1.438 10.803 1.00 0.00 H new ATOM 0 HA SER A 20 7.156 -0.261 11.880 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.396 0.533 12.904 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.636 -0.233 13.878 1.00 0.00 H new ATOM 0 HG SER A 20 5.628 2.357 12.700 1.00 0.00 H new ATOM 291 N ILE A 21 4.304 -1.795 11.147 1.00 0.00 N ATOM 292 CA ILE A 21 3.675 -3.096 10.970 1.00 0.00 C ATOM 293 C ILE A 21 4.457 -3.918 9.948 1.00 0.00 C ATOM 294 O ILE A 21 4.931 -4.999 10.287 1.00 0.00 O ATOM 295 CB ILE A 21 2.191 -2.950 10.586 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.392 -2.344 11.756 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.578 -4.315 10.225 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.096 -1.697 11.266 1.00 0.00 C ATOM 0 H ILE A 21 3.694 -1.011 10.918 1.00 0.00 H new ATOM 0 HA ILE A 21 3.698 -3.632 11.919 1.00 0.00 H new ATOM 0 HB ILE A 21 2.138 -2.291 9.719 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.160 -3.122 12.483 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.001 -1.600 12.269 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.529 -4.184 9.958 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.117 -4.744 9.380 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.653 -4.985 11.081 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.445 -1.279 12.115 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.331 -0.902 10.558 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.523 -2.448 10.776 1.00 0.00 H new ATOM 310 N GLU A 22 4.592 -3.423 8.710 1.00 0.00 N ATOM 311 CA GLU A 22 5.265 -4.178 7.659 1.00 0.00 C ATOM 312 C GLU A 22 6.699 -4.530 8.063 1.00 0.00 C ATOM 313 O GLU A 22 7.120 -5.668 7.870 1.00 0.00 O ATOM 314 CB GLU A 22 5.163 -3.478 6.297 1.00 0.00 C ATOM 315 CG GLU A 22 5.926 -2.155 6.204 1.00 0.00 C ATOM 316 CD GLU A 22 5.590 -1.399 4.922 1.00 0.00 C ATOM 317 OE1 GLU A 22 4.394 -1.075 4.746 1.00 0.00 O ATOM 318 OE2 GLU A 22 6.531 -1.152 4.138 1.00 0.00 O ATOM 0 H GLU A 22 4.245 -2.509 8.419 1.00 0.00 H new ATOM 0 HA GLU A 22 4.743 -5.127 7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.537 -4.153 5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.112 -3.293 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.684 -1.534 7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.998 -2.350 6.242 1.00 0.00 H new ATOM 325 N GLY A 23 7.431 -3.572 8.648 1.00 0.00 N ATOM 326 CA GLY A 23 8.791 -3.770 9.125 1.00 0.00 C ATOM 327 C GLY A 23 8.894 -4.952 10.089 1.00 0.00 C ATOM 328 O GLY A 23 9.693 -5.859 9.863 1.00 0.00 O ATOM 0 H GLY A 23 7.082 -2.626 8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.453 -3.937 8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.136 -2.864 9.624 1.00 0.00 H new ATOM 332 N VAL A 24 8.087 -4.944 11.156 1.00 0.00 N ATOM 333 CA VAL A 24 8.096 -5.987 12.175 1.00 0.00 C ATOM 334 C VAL A 24 7.665 -7.331 11.581 1.00 0.00 C ATOM 335 O VAL A 24 8.380 -8.322 11.724 1.00 0.00 O ATOM 336 CB VAL A 24 7.210 -5.566 13.364 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.001 -6.721 14.353 1.00 0.00 C ATOM 338 CG2 VAL A 24 7.859 -4.397 14.119 1.00 0.00 C ATOM 0 H VAL A 24 7.406 -4.206 11.333 1.00 0.00 H new ATOM 0 HA VAL A 24 9.112 -6.117 12.547 1.00 0.00 H new ATOM 0 HB VAL A 24 6.244 -5.270 12.955 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.372 -6.385 15.177 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.517 -7.554 13.843 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.966 -7.046 14.743 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.224 -4.108 14.957 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.836 -4.703 14.493 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.978 -3.549 13.444 1.00 0.00 H new ATOM 348 N ILE A 25 6.498 -7.370 10.928 1.00 0.00 N ATOM 349 CA ILE A 25 5.899 -8.608 10.446 1.00 0.00 C ATOM 350 C ILE A 25 6.782 -9.295 9.395 1.00 0.00 C ATOM 351 O ILE A 25 6.853 -10.523 9.390 1.00 0.00 O ATOM 352 CB ILE A 25 4.449 -8.367 9.984 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.548 -7.839 11.122 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.834 -9.645 9.396 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.311 -8.819 12.279 1.00 0.00 C ATOM 0 H ILE A 25 5.945 -6.538 10.721 1.00 0.00 H new ATOM 0 HA ILE A 25 5.842 -9.315 11.274 1.00 0.00 H new ATOM 0 HB ILE A 25 4.500 -7.601 9.210 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.994 -6.929 11.524 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.582 -7.561 10.699 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.811 -9.444 9.079 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.422 -9.971 8.538 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.832 -10.429 10.153 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.667 -8.353 13.025 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.832 -9.721 11.899 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.265 -9.080 12.736 1.00 0.00 H new ATOM 367 N SER A 26 7.480 -8.534 8.538 1.00 0.00 N ATOM 368 CA SER A 26 8.443 -9.089 7.586 1.00 0.00 C ATOM 369 C SER A 26 9.494 -9.981 8.257 1.00 0.00 C ATOM 370 O SER A 26 9.987 -10.913 7.625 1.00 0.00 O ATOM 371 CB SER A 26 9.152 -7.970 6.815 1.00 0.00 C ATOM 372 OG SER A 26 8.253 -7.308 5.954 1.00 0.00 O ATOM 0 H SER A 26 7.390 -7.519 8.489 1.00 0.00 H new ATOM 0 HA SER A 26 7.867 -9.709 6.899 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.584 -7.256 7.516 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.977 -8.387 6.237 1.00 0.00 H new ATOM 0 HG SER A 26 7.731 -6.655 6.465 1.00 0.00 H new ATOM 378 N LYS A 27 9.843 -9.703 9.521 1.00 0.00 N ATOM 379 CA LYS A 27 10.896 -10.409 10.238 1.00 0.00 C ATOM 380 C LYS A 27 10.361 -11.640 10.982 1.00 0.00 C ATOM 381 O LYS A 27 11.158 -12.405 11.522 1.00 0.00 O ATOM 382 CB LYS A 27 11.591 -9.453 11.222 1.00 0.00 C ATOM 383 CG LYS A 27 12.139 -8.155 10.601 1.00 0.00 C ATOM 384 CD LYS A 27 13.591 -8.236 10.102 1.00 0.00 C ATOM 385 CE LYS A 27 13.832 -9.190 8.927 1.00 0.00 C ATOM 386 NZ LYS A 27 12.922 -8.926 7.798 1.00 0.00 N ATOM 0 H LYS A 27 9.393 -8.973 10.073 1.00 0.00 H new ATOM 0 HA LYS A 27 11.618 -10.763 9.502 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.884 -9.190 12.008 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.415 -9.984 11.699 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.499 -7.871 9.766 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.069 -7.358 11.341 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.912 -7.237 9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.226 -8.543 10.933 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.864 -9.094 8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.701 -10.218 9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.447 -9.003 6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.148 -9.621 7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.528 -7.968 7.887 1.00 0.00 H new ATOM 400 N LYS A 28 9.037 -11.851 11.016 1.00 0.00 N ATOM 401 CA LYS A 28 8.446 -13.011 11.671 1.00 0.00 C ATOM 402 C LYS A 28 8.713 -14.262 10.825 1.00 0.00 C ATOM 403 O LYS A 28 8.694 -14.181 9.596 1.00 0.00 O ATOM 404 CB LYS A 28 6.939 -12.797 11.873 1.00 0.00 C ATOM 405 CG LYS A 28 6.616 -11.591 12.765 1.00 0.00 C ATOM 406 CD LYS A 28 6.928 -11.837 14.246 1.00 0.00 C ATOM 407 CE LYS A 28 6.586 -10.585 15.058 1.00 0.00 C ATOM 408 NZ LYS A 28 6.842 -10.787 16.492 1.00 0.00 N ATOM 0 H LYS A 28 8.355 -11.222 10.591 1.00 0.00 H new ATOM 0 HA LYS A 28 8.900 -13.146 12.653 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.464 -12.660 10.901 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.507 -13.695 12.315 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.185 -10.728 12.419 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.560 -11.341 12.659 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.354 -12.688 14.612 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.982 -12.086 14.369 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.177 -9.743 14.697 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.538 -10.327 14.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.600 -9.920 17.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.260 -11.575 16.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.848 -11.009 16.637 1.00 0.00 H new ATOM 422 N PRO A 29 8.966 -15.421 11.456 1.00 0.00 N ATOM 423 CA PRO A 29 9.312 -16.645 10.752 1.00 0.00 C ATOM 424 C PRO A 29 8.154 -17.078 9.856 1.00 0.00 C ATOM 425 O PRO A 29 6.996 -17.028 10.268 1.00 0.00 O ATOM 426 CB PRO A 29 9.623 -17.678 11.841 1.00 0.00 C ATOM 427 CG PRO A 29 8.820 -17.178 13.041 1.00 0.00 C ATOM 428 CD PRO A 29 8.899 -15.661 12.888 1.00 0.00 C ATOM 0 HA PRO A 29 10.172 -16.520 10.094 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.318 -18.681 11.543 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.690 -17.722 12.061 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.790 -17.535 13.016 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.251 -17.513 13.985 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.027 -15.176 13.327 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.777 -15.260 13.395 1.00 0.00 H new ATOM 436 N GLY A 30 8.473 -17.479 8.621 1.00 0.00 N ATOM 437 CA GLY A 30 7.491 -17.865 7.624 1.00 0.00 C ATOM 438 C GLY A 30 7.180 -16.717 6.672 1.00 0.00 C ATOM 439 O GLY A 30 7.029 -16.961 5.477 1.00 0.00 O ATOM 0 H GLY A 30 9.436 -17.543 8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.863 -18.718 7.057 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.575 -18.186 8.120 1.00 0.00 H new ATOM 443 N VAL A 31 7.077 -15.482 7.185 1.00 0.00 N ATOM 444 CA VAL A 31 6.729 -14.326 6.370 1.00 0.00 C ATOM 445 C VAL A 31 7.860 -14.025 5.390 1.00 0.00 C ATOM 446 O VAL A 31 9.027 -14.016 5.776 1.00 0.00 O ATOM 447 CB VAL A 31 6.416 -13.096 7.240 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.987 -11.916 6.353 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.288 -13.406 8.229 1.00 0.00 C ATOM 0 H VAL A 31 7.233 -15.265 8.169 1.00 0.00 H new ATOM 0 HA VAL A 31 5.825 -14.562 5.808 1.00 0.00 H new ATOM 0 HB VAL A 31 7.319 -12.836 7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.768 -11.051 6.979 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.793 -11.669 5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.096 -12.190 5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.082 -12.523 8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.389 -13.687 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.589 -14.229 8.878 1.00 0.00 H new ATOM 459 N LYS A 32 7.494 -13.769 4.129 1.00 0.00 N ATOM 460 CA LYS A 32 8.405 -13.315 3.094 1.00 0.00 C ATOM 461 C LYS A 32 8.021 -11.884 2.720 1.00 0.00 C ATOM 462 O LYS A 32 8.536 -10.942 3.320 1.00 0.00 O ATOM 463 CB LYS A 32 8.387 -14.290 1.907 1.00 0.00 C ATOM 464 CG LYS A 32 8.931 -15.662 2.332 1.00 0.00 C ATOM 465 CD LYS A 32 9.095 -16.626 1.149 1.00 0.00 C ATOM 466 CE LYS A 32 10.497 -16.607 0.526 1.00 0.00 C ATOM 467 NZ LYS A 32 10.832 -15.309 -0.082 1.00 0.00 N ATOM 0 H LYS A 32 6.534 -13.877 3.801 1.00 0.00 H new ATOM 0 HA LYS A 32 9.436 -13.302 3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.369 -14.396 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.989 -13.890 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.895 -15.530 2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.257 -16.104 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.870 -17.639 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.363 -16.373 0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.234 -16.845 1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.563 -17.387 -0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.701 -15.404 -0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.052 -15.002 -0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.980 -14.603 0.667 1.00 0.00 H new ATOM 481 N SER A 33 7.121 -11.716 1.745 1.00 0.00 N ATOM 482 CA SER A 33 6.611 -10.420 1.327 1.00 0.00 C ATOM 483 C SER A 33 5.353 -10.061 2.121 1.00 0.00 C ATOM 484 O SER A 33 4.643 -10.937 2.617 1.00 0.00 O ATOM 485 CB SER A 33 6.370 -10.428 -0.188 1.00 0.00 C ATOM 486 OG SER A 33 5.692 -11.601 -0.588 1.00 0.00 O ATOM 0 H SER A 33 6.724 -12.495 1.220 1.00 0.00 H new ATOM 0 HA SER A 33 7.347 -9.645 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.786 -9.552 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.323 -10.359 -0.712 1.00 0.00 H new ATOM 0 HG SER A 33 4.726 -11.468 -0.494 1.00 0.00 H new ATOM 492 N ILE A 34 5.090 -8.756 2.242 1.00 0.00 N ATOM 493 CA ILE A 34 3.893 -8.207 2.860 1.00 0.00 C ATOM 494 C ILE A 34 3.576 -6.861 2.207 1.00 0.00 C ATOM 495 O ILE A 34 4.493 -6.155 1.786 1.00 0.00 O ATOM 496 CB ILE A 34 4.067 -8.103 4.390 1.00 0.00 C ATOM 497 CG1 ILE A 34 2.780 -7.552 5.029 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.278 -7.239 4.767 1.00 0.00 C ATOM 499 CD1 ILE A 34 2.770 -7.662 6.554 1.00 0.00 C ATOM 0 H ILE A 34 5.727 -8.036 1.900 1.00 0.00 H new ATOM 0 HA ILE A 34 3.044 -8.871 2.697 1.00 0.00 H new ATOM 0 HB ILE A 34 4.255 -9.104 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.660 -6.506 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.923 -8.091 4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.366 -7.190 5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.183 -7.679 4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.146 -6.233 4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.836 -7.256 6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.859 -8.709 6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.608 -7.099 6.965 1.00 0.00 H new ATOM 511 N ARG A 35 2.287 -6.510 2.131 1.00 0.00 N ATOM 512 CA ARG A 35 1.828 -5.216 1.650 1.00 0.00 C ATOM 513 C ARG A 35 0.734 -4.692 2.582 1.00 0.00 C ATOM 514 O ARG A 35 -0.389 -5.193 2.555 1.00 0.00 O ATOM 515 CB ARG A 35 1.338 -5.364 0.202 1.00 0.00 C ATOM 516 CG ARG A 35 0.875 -4.056 -0.457 1.00 0.00 C ATOM 517 CD ARG A 35 2.028 -3.110 -0.830 1.00 0.00 C ATOM 518 NE ARG A 35 2.647 -2.461 0.334 1.00 0.00 N ATOM 519 CZ ARG A 35 2.074 -1.521 1.101 1.00 0.00 C ATOM 520 NH1 ARG A 35 0.868 -1.022 0.797 1.00 0.00 N ATOM 521 NH2 ARG A 35 2.710 -1.077 2.193 1.00 0.00 N ATOM 0 H ARG A 35 1.527 -7.132 2.408 1.00 0.00 H new ATOM 0 HA ARG A 35 2.640 -4.489 1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.142 -5.792 -0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.513 -6.076 0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.307 -4.294 -1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.197 -3.538 0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.789 -3.672 -1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.655 -2.343 -1.509 1.00 0.00 H new ATOM 0 HE ARG A 35 3.594 -2.750 0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.371 -1.356 -0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.447 -0.308 1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.626 -1.453 2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.279 -0.362 2.779 1.00 0.00 H new ATOM 535 N VAL A 36 1.065 -3.687 3.406 1.00 0.00 N ATOM 536 CA VAL A 36 0.138 -3.058 4.338 1.00 0.00 C ATOM 537 C VAL A 36 -0.473 -1.818 3.684 1.00 0.00 C ATOM 538 O VAL A 36 0.154 -0.760 3.637 1.00 0.00 O ATOM 539 CB VAL A 36 0.845 -2.750 5.669 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.135 -2.132 6.676 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.414 -4.031 6.290 1.00 0.00 C ATOM 0 H VAL A 36 2.003 -3.287 3.438 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.680 -3.739 4.575 1.00 0.00 H new ATOM 0 HB VAL A 36 1.650 -2.048 5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.387 -1.922 7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.538 -1.204 6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.951 -2.830 6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.910 -3.790 7.230 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.604 -4.736 6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.134 -4.479 5.605 1.00 0.00 H new ATOM 551 N SER A 37 -1.706 -1.953 3.180 1.00 0.00 N ATOM 552 CA SER A 37 -2.431 -0.886 2.510 1.00 0.00 C ATOM 553 C SER A 37 -3.238 -0.091 3.533 1.00 0.00 C ATOM 554 O SER A 37 -4.107 -0.644 4.206 1.00 0.00 O ATOM 555 CB SER A 37 -3.349 -1.483 1.438 1.00 0.00 C ATOM 556 OG SER A 37 -4.131 -0.466 0.842 1.00 0.00 O ATOM 0 H SER A 37 -2.230 -2.826 3.232 1.00 0.00 H new ATOM 0 HA SER A 37 -1.726 -0.210 2.026 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.752 -1.986 0.677 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.998 -2.237 1.884 1.00 0.00 H new ATOM 0 HG SER A 37 -4.463 -0.776 -0.026 1.00 0.00 H new ATOM 562 N LEU A 38 -2.949 1.212 3.630 1.00 0.00 N ATOM 563 CA LEU A 38 -3.669 2.155 4.473 1.00 0.00 C ATOM 564 C LEU A 38 -5.071 2.396 3.911 1.00 0.00 C ATOM 565 O LEU A 38 -6.050 2.353 4.653 1.00 0.00 O ATOM 566 CB LEU A 38 -2.864 3.460 4.552 1.00 0.00 C ATOM 567 CG LEU A 38 -3.474 4.538 5.465 1.00 0.00 C ATOM 568 CD1 LEU A 38 -3.633 4.061 6.914 1.00 0.00 C ATOM 569 CD2 LEU A 38 -2.566 5.775 5.450 1.00 0.00 C ATOM 0 H LEU A 38 -2.187 1.644 3.108 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.784 1.751 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.859 3.230 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.762 3.870 3.547 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.468 4.769 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.068 4.860 7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.288 3.190 6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.657 3.793 7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.990 6.545 6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.575 5.503 5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.488 6.156 4.432 1.00 0.00 H new ATOM 581 N ALA A 39 -5.154 2.641 2.595 1.00 0.00 N ATOM 582 CA ALA A 39 -6.394 2.896 1.874 1.00 0.00 C ATOM 583 C ALA A 39 -7.428 1.797 2.122 1.00 0.00 C ATOM 584 O ALA A 39 -8.595 2.094 2.369 1.00 0.00 O ATOM 585 CB ALA A 39 -6.091 3.024 0.378 1.00 0.00 C ATOM 0 H ALA A 39 -4.332 2.666 1.992 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.823 3.828 2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.016 3.215 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.398 3.850 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.643 2.098 0.017 1.00 0.00 H new ATOM 591 N ASN A 40 -6.992 0.532 2.072 1.00 0.00 N ATOM 592 CA ASN A 40 -7.852 -0.623 2.300 1.00 0.00 C ATOM 593 C ASN A 40 -7.891 -1.004 3.785 1.00 0.00 C ATOM 594 O ASN A 40 -8.761 -1.775 4.186 1.00 0.00 O ATOM 595 CB ASN A 40 -7.344 -1.811 1.477 1.00 0.00 C ATOM 596 CG ASN A 40 -7.274 -1.534 -0.024 1.00 0.00 C ATOM 597 OD1 ASN A 40 -7.942 -0.641 -0.539 1.00 0.00 O ATOM 598 ND2 ASN A 40 -6.453 -2.308 -0.736 1.00 0.00 N ATOM 0 H ASN A 40 -6.023 0.285 1.870 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.864 -0.361 1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.352 -2.090 1.832 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.997 -2.667 1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.365 -2.168 -1.742 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.914 -3.040 -0.274 1.00 0.00 H new ATOM 605 N SER A 41 -6.956 -0.479 4.592 1.00 0.00 N ATOM 606 CA SER A 41 -6.804 -0.773 6.010 1.00 0.00 C ATOM 607 C SER A 41 -6.653 -2.278 6.236 1.00 0.00 C ATOM 608 O SER A 41 -7.404 -2.880 7.002 1.00 0.00 O ATOM 609 CB SER A 41 -7.946 -0.146 6.822 1.00 0.00 C ATOM 610 OG SER A 41 -7.889 1.262 6.710 1.00 0.00 O ATOM 0 H SER A 41 -6.262 0.187 4.253 1.00 0.00 H new ATOM 0 HA SER A 41 -5.885 -0.315 6.374 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.907 -0.511 6.459 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.867 -0.441 7.868 1.00 0.00 H new ATOM 0 HG SER A 41 -7.230 1.510 6.028 1.00 0.00 H new ATOM 616 N ASN A 42 -5.672 -2.882 5.553 1.00 0.00 N ATOM 617 CA ASN A 42 -5.409 -4.310 5.639 1.00 0.00 C ATOM 618 C ASN A 42 -3.945 -4.632 5.340 1.00 0.00 C ATOM 619 O ASN A 42 -3.243 -3.845 4.708 1.00 0.00 O ATOM 620 CB ASN A 42 -6.392 -5.105 4.758 1.00 0.00 C ATOM 621 CG ASN A 42 -6.298 -4.826 3.258 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.333 -4.250 2.766 1.00 0.00 O ATOM 623 ND2 ASN A 42 -7.322 -5.251 2.514 1.00 0.00 N ATOM 0 H ASN A 42 -5.040 -2.385 4.925 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.582 -4.627 6.667 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.224 -6.169 4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.408 -4.887 5.088 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.317 -5.100 1.505 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.109 -5.727 2.954 1.00 0.00 H new ATOM 630 N GLY A 43 -3.504 -5.802 5.816 1.00 0.00 N ATOM 631 CA GLY A 43 -2.177 -6.355 5.626 1.00 0.00 C ATOM 632 C GLY A 43 -2.288 -7.635 4.811 1.00 0.00 C ATOM 633 O GLY A 43 -2.861 -8.615 5.284 1.00 0.00 O ATOM 0 H GLY A 43 -4.102 -6.413 6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.539 -5.636 5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.713 -6.561 6.591 1.00 0.00 H new ATOM 637 N THR A 44 -1.731 -7.622 3.596 1.00 0.00 N ATOM 638 CA THR A 44 -1.738 -8.747 2.676 1.00 0.00 C ATOM 639 C THR A 44 -0.381 -9.434 2.812 1.00 0.00 C ATOM 640 O THR A 44 0.602 -8.984 2.226 1.00 0.00 O ATOM 641 CB THR A 44 -2.005 -8.232 1.253 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.225 -7.517 1.239 1.00 0.00 O ATOM 643 CG2 THR A 44 -2.094 -9.379 0.242 1.00 0.00 C ATOM 0 H THR A 44 -1.252 -6.803 3.222 1.00 0.00 H new ATOM 0 HA THR A 44 -2.525 -9.468 2.899 1.00 0.00 H new ATOM 0 HB THR A 44 -1.173 -7.588 0.968 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.399 -7.185 0.334 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.284 -8.974 -0.752 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.155 -9.932 0.235 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.907 -10.049 0.522 1.00 0.00 H new ATOM 651 N VAL A 45 -0.337 -10.500 3.621 1.00 0.00 N ATOM 652 CA VAL A 45 0.884 -11.170 4.049 1.00 0.00 C ATOM 653 C VAL A 45 1.069 -12.460 3.254 1.00 0.00 C ATOM 654 O VAL A 45 0.118 -13.227 3.117 1.00 0.00 O ATOM 655 CB VAL A 45 0.815 -11.494 5.556 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.225 -11.802 6.078 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.196 -10.362 6.388 1.00 0.00 C ATOM 0 H VAL A 45 -1.180 -10.928 4.004 1.00 0.00 H new ATOM 0 HA VAL A 45 1.731 -10.508 3.869 1.00 0.00 H new ATOM 0 HB VAL A 45 0.164 -12.361 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.177 -12.031 7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.633 -12.658 5.541 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.868 -10.936 5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.176 -10.652 7.439 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.793 -9.457 6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.821 -10.172 6.045 1.00 0.00 H new ATOM 667 N GLU A 46 2.289 -12.703 2.756 1.00 0.00 N ATOM 668 CA GLU A 46 2.689 -13.946 2.112 1.00 0.00 C ATOM 669 C GLU A 46 3.569 -14.693 3.115 1.00 0.00 C ATOM 670 O GLU A 46 4.622 -14.183 3.495 1.00 0.00 O ATOM 671 CB GLU A 46 3.453 -13.653 0.814 1.00 0.00 C ATOM 672 CG GLU A 46 2.578 -13.029 -0.285 1.00 0.00 C ATOM 673 CD GLU A 46 2.114 -11.608 0.038 1.00 0.00 C ATOM 674 OE1 GLU A 46 2.974 -10.702 0.026 1.00 0.00 O ATOM 675 OE2 GLU A 46 0.900 -11.452 0.292 1.00 0.00 O ATOM 0 H GLU A 46 3.041 -12.015 2.795 1.00 0.00 H new ATOM 0 HA GLU A 46 1.823 -14.549 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.282 -12.980 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.886 -14.580 0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.138 -13.016 -1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.704 -13.661 -0.445 1.00 0.00 H new ATOM 682 N TYR A 47 3.126 -15.878 3.559 1.00 0.00 N ATOM 683 CA TYR A 47 3.727 -16.597 4.675 1.00 0.00 C ATOM 684 C TYR A 47 3.664 -18.111 4.476 1.00 0.00 C ATOM 685 O TYR A 47 2.756 -18.605 3.812 1.00 0.00 O ATOM 686 CB TYR A 47 2.982 -16.223 5.965 1.00 0.00 C ATOM 687 CG TYR A 47 1.580 -16.811 6.041 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.557 -16.274 5.236 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.376 -18.049 6.680 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.632 -16.994 5.029 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.168 -18.747 6.505 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.828 -18.227 5.667 1.00 0.00 C ATOM 693 OH TYR A 47 -1.985 -18.924 5.469 1.00 0.00 O ATOM 0 H TYR A 47 2.331 -16.364 3.144 1.00 0.00 H new ATOM 0 HA TYR A 47 4.777 -16.313 4.738 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.560 -16.567 6.823 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.918 -15.137 6.038 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.687 -15.305 4.776 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.151 -18.464 7.307 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.396 -16.597 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.007 -19.684 7.017 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.957 -19.757 5.984 1.00 0.00 H new ATOM 703 N ASP A 48 4.607 -18.844 5.082 1.00 0.00 N ATOM 704 CA ASP A 48 4.635 -20.301 5.062 1.00 0.00 C ATOM 705 C ASP A 48 3.808 -20.864 6.233 1.00 0.00 C ATOM 706 O ASP A 48 4.140 -20.572 7.383 1.00 0.00 O ATOM 707 CB ASP A 48 6.089 -20.785 5.127 1.00 0.00 C ATOM 708 CG ASP A 48 6.189 -22.278 4.821 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.735 -23.068 5.676 1.00 0.00 O ATOM 710 OD2 ASP A 48 6.713 -22.604 3.733 1.00 0.00 O ATOM 0 H ASP A 48 5.379 -18.431 5.605 1.00 0.00 H new ATOM 0 HA ASP A 48 4.190 -20.663 4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.694 -20.224 4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.497 -20.586 6.118 1.00 0.00 H new ATOM 715 N PRO A 49 2.758 -21.668 5.972 1.00 0.00 N ATOM 716 CA PRO A 49 1.914 -22.301 6.985 1.00 0.00 C ATOM 717 C PRO A 49 2.663 -23.005 8.119 1.00 0.00 C ATOM 718 O PRO A 49 2.233 -22.945 9.269 1.00 0.00 O ATOM 719 CB PRO A 49 1.039 -23.303 6.232 1.00 0.00 C ATOM 720 CG PRO A 49 0.883 -22.645 4.869 1.00 0.00 C ATOM 721 CD PRO A 49 2.253 -22.006 4.648 1.00 0.00 C ATOM 0 HA PRO A 49 1.349 -21.520 7.493 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.514 -24.281 6.158 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.077 -23.452 6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.645 -23.372 4.093 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.085 -21.903 4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.927 -22.694 4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.172 -21.117 4.023 1.00 0.00 H new ATOM 729 N LEU A 50 3.767 -23.688 7.797 1.00 0.00 N ATOM 730 CA LEU A 50 4.507 -24.495 8.759 1.00 0.00 C ATOM 731 C LEU A 50 5.179 -23.630 9.830 1.00 0.00 C ATOM 732 O LEU A 50 5.376 -24.099 10.949 1.00 0.00 O ATOM 733 CB LEU A 50 5.547 -25.364 8.035 1.00 0.00 C ATOM 734 CG LEU A 50 4.972 -26.240 6.908 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.116 -27.016 6.246 1.00 0.00 C ATOM 736 CD2 LEU A 50 3.919 -27.229 7.426 1.00 0.00 C ATOM 0 H LEU A 50 4.169 -23.693 6.859 1.00 0.00 H new ATOM 0 HA LEU A 50 3.793 -25.144 9.266 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.317 -24.715 7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.036 -26.008 8.766 1.00 0.00 H new ATOM 0 HG LEU A 50 4.482 -25.584 6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.717 -27.640 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.840 -26.314 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.605 -27.647 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.541 -27.826 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.371 -27.886 8.169 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.096 -26.679 7.881 1.00 0.00 H new ATOM 748 N LEU A 51 5.534 -22.382 9.492 1.00 0.00 N ATOM 749 CA LEU A 51 6.283 -21.487 10.366 1.00 0.00 C ATOM 750 C LEU A 51 5.351 -20.490 11.064 1.00 0.00 C ATOM 751 O LEU A 51 5.606 -20.138 12.215 1.00 0.00 O ATOM 752 CB LEU A 51 7.372 -20.762 9.563 1.00 0.00 C ATOM 753 CG LEU A 51 8.662 -21.583 9.381 1.00 0.00 C ATOM 754 CD1 LEU A 51 8.448 -22.862 8.564 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.725 -20.725 8.688 1.00 0.00 C ATOM 0 H LEU A 51 5.302 -21.966 8.590 1.00 0.00 H new ATOM 0 HA LEU A 51 6.764 -22.080 11.144 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.975 -20.504 8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.616 -19.825 10.064 1.00 0.00 H new ATOM 0 HG LEU A 51 8.988 -21.880 10.378 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.393 -23.397 8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.720 -23.498 9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.079 -22.602 7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.637 -21.308 8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.357 -20.408 7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.938 -19.847 9.298 1.00 0.00 H new ATOM 767 N THR A 52 4.280 -20.035 10.396 1.00 0.00 N ATOM 768 CA THR A 52 3.287 -19.144 10.992 1.00 0.00 C ATOM 769 C THR A 52 1.925 -19.350 10.326 1.00 0.00 C ATOM 770 O THR A 52 1.826 -20.056 9.327 1.00 0.00 O ATOM 771 CB THR A 52 3.774 -17.685 10.933 1.00 0.00 C ATOM 772 OG1 THR A 52 2.945 -16.853 11.716 1.00 0.00 O ATOM 773 CG2 THR A 52 3.812 -17.141 9.504 1.00 0.00 C ATOM 0 H THR A 52 4.083 -20.278 9.425 1.00 0.00 H new ATOM 0 HA THR A 52 3.160 -19.387 12.047 1.00 0.00 H new ATOM 0 HB THR A 52 4.790 -17.682 11.328 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.270 -15.930 11.669 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.162 -16.109 9.517 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.490 -17.747 8.902 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.811 -17.179 9.073 1.00 0.00 H new ATOM 781 N SER A 53 0.876 -18.738 10.889 1.00 0.00 N ATOM 782 CA SER A 53 -0.508 -18.891 10.454 1.00 0.00 C ATOM 783 C SER A 53 -1.220 -17.533 10.483 1.00 0.00 C ATOM 784 O SER A 53 -0.732 -16.617 11.145 1.00 0.00 O ATOM 785 CB SER A 53 -1.207 -19.896 11.381 1.00 0.00 C ATOM 786 OG SER A 53 -1.377 -19.347 12.674 1.00 0.00 O ATOM 0 H SER A 53 0.975 -18.105 11.683 1.00 0.00 H new ATOM 0 HA SER A 53 -0.541 -19.264 9.430 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.177 -20.168 10.965 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.619 -20.811 11.443 1.00 0.00 H new ATOM 0 HG SER A 53 -1.825 -20.001 13.251 1.00 0.00 H new ATOM 792 N PRO A 54 -2.370 -17.380 9.801 1.00 0.00 N ATOM 793 CA PRO A 54 -3.186 -16.173 9.860 1.00 0.00 C ATOM 794 C PRO A 54 -3.491 -15.740 11.295 1.00 0.00 C ATOM 795 O PRO A 54 -3.404 -14.557 11.607 1.00 0.00 O ATOM 796 CB PRO A 54 -4.466 -16.495 9.083 1.00 0.00 C ATOM 797 CG PRO A 54 -4.001 -17.556 8.090 1.00 0.00 C ATOM 798 CD PRO A 54 -2.991 -18.351 8.913 1.00 0.00 C ATOM 0 HA PRO A 54 -2.654 -15.328 9.423 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.253 -16.871 9.737 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.865 -15.615 8.578 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.826 -18.180 7.745 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.545 -17.113 7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.481 -19.144 9.478 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.250 -18.828 8.272 1.00 0.00 H new ATOM 806 N GLU A 55 -3.833 -16.700 12.165 1.00 0.00 N ATOM 807 CA GLU A 55 -4.109 -16.458 13.574 1.00 0.00 C ATOM 808 C GLU A 55 -2.882 -15.912 14.306 1.00 0.00 C ATOM 809 O GLU A 55 -3.013 -14.986 15.104 1.00 0.00 O ATOM 810 CB GLU A 55 -4.594 -17.755 14.238 1.00 0.00 C ATOM 811 CG GLU A 55 -6.053 -18.066 13.886 1.00 0.00 C ATOM 812 CD GLU A 55 -7.007 -17.096 14.580 1.00 0.00 C ATOM 813 OE1 GLU A 55 -7.229 -17.292 15.795 1.00 0.00 O ATOM 814 OE2 GLU A 55 -7.492 -16.169 13.897 1.00 0.00 O ATOM 0 H GLU A 55 -3.925 -17.680 11.898 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.891 -15.702 13.640 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.960 -18.584 13.923 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.492 -17.669 15.320 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.190 -18.005 12.806 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.291 -19.088 14.181 1.00 0.00 H new ATOM 821 N THR A 56 -1.695 -16.476 14.050 1.00 0.00 N ATOM 822 CA THR A 56 -0.459 -16.021 14.678 1.00 0.00 C ATOM 823 C THR A 56 -0.143 -14.586 14.250 1.00 0.00 C ATOM 824 O THR A 56 0.164 -13.744 15.092 1.00 0.00 O ATOM 825 CB THR A 56 0.694 -16.973 14.329 1.00 0.00 C ATOM 826 OG1 THR A 56 0.356 -18.297 14.684 1.00 0.00 O ATOM 827 CG2 THR A 56 1.989 -16.592 15.055 1.00 0.00 C ATOM 0 H THR A 56 -1.570 -17.256 13.405 1.00 0.00 H new ATOM 0 HA THR A 56 -0.586 -16.028 15.761 1.00 0.00 H new ATOM 0 HB THR A 56 0.858 -16.895 13.254 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.229 -18.681 13.997 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.779 -17.291 14.780 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.282 -15.582 14.770 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.828 -16.632 16.132 1.00 0.00 H new ATOM 835 N LEU A 57 -0.223 -14.312 12.942 1.00 0.00 N ATOM 836 CA LEU A 57 0.024 -12.995 12.369 1.00 0.00 C ATOM 837 C LEU A 57 -0.946 -11.969 12.958 1.00 0.00 C ATOM 838 O LEU A 57 -0.517 -10.924 13.439 1.00 0.00 O ATOM 839 CB LEU A 57 -0.096 -13.067 10.839 1.00 0.00 C ATOM 840 CG LEU A 57 0.987 -13.948 10.194 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.591 -14.277 8.750 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.357 -13.262 10.202 1.00 0.00 C ATOM 0 H LEU A 57 -0.466 -15.016 12.245 1.00 0.00 H new ATOM 0 HA LEU A 57 1.035 -12.674 12.619 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.079 -13.457 10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.031 -12.060 10.427 1.00 0.00 H new ATOM 0 HG LEU A 57 1.065 -14.863 10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.360 -14.901 8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.359 -14.811 8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.490 -13.353 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.094 -13.917 9.738 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.299 -12.327 9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.653 -13.053 11.230 1.00 0.00 H new ATOM 854 N ARG A 58 -2.246 -12.286 12.941 1.00 0.00 N ATOM 855 CA ARG A 58 -3.297 -11.496 13.568 1.00 0.00 C ATOM 856 C ARG A 58 -2.940 -11.200 15.028 1.00 0.00 C ATOM 857 O ARG A 58 -3.056 -10.059 15.469 1.00 0.00 O ATOM 858 CB ARG A 58 -4.623 -12.261 13.467 1.00 0.00 C ATOM 859 CG ARG A 58 -5.806 -11.448 14.010 1.00 0.00 C ATOM 860 CD ARG A 58 -7.075 -12.302 14.130 1.00 0.00 C ATOM 861 NE ARG A 58 -6.880 -13.491 14.970 1.00 0.00 N ATOM 862 CZ ARG A 58 -6.708 -13.485 16.303 1.00 0.00 C ATOM 863 NH1 ARG A 58 -6.733 -12.340 16.999 1.00 0.00 N ATOM 864 NH2 ARG A 58 -6.513 -14.642 16.950 1.00 0.00 N ATOM 0 H ARG A 58 -2.599 -13.123 12.477 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.399 -10.541 13.053 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.811 -12.522 12.425 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.543 -13.197 14.020 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.549 -11.040 14.987 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.998 -10.601 13.351 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.878 -11.695 14.547 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.394 -12.613 13.135 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.875 -14.397 14.502 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.884 -11.454 16.517 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.601 -12.355 18.010 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.496 -15.520 16.431 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.382 -14.645 17.962 1.00 0.00 H new ATOM 878 N GLY A 59 -2.500 -12.226 15.766 1.00 0.00 N ATOM 879 CA GLY A 59 -2.079 -12.124 17.154 1.00 0.00 C ATOM 880 C GLY A 59 -0.942 -11.119 17.340 1.00 0.00 C ATOM 881 O GLY A 59 -1.005 -10.291 18.244 1.00 0.00 O ATOM 0 H GLY A 59 -2.428 -13.174 15.396 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.929 -11.827 17.769 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.757 -13.104 17.507 1.00 0.00 H new ATOM 885 N ALA A 60 0.092 -11.188 16.493 1.00 0.00 N ATOM 886 CA ALA A 60 1.237 -10.286 16.545 1.00 0.00 C ATOM 887 C ALA A 60 0.814 -8.836 16.292 1.00 0.00 C ATOM 888 O ALA A 60 1.238 -7.930 17.009 1.00 0.00 O ATOM 889 CB ALA A 60 2.294 -10.733 15.531 1.00 0.00 C ATOM 0 H ALA A 60 0.153 -11.880 15.747 1.00 0.00 H new ATOM 0 HA ALA A 60 1.667 -10.328 17.546 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.148 -10.056 15.573 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.621 -11.745 15.769 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.867 -10.716 14.528 1.00 0.00 H new ATOM 895 N ILE A 61 -0.025 -8.618 15.275 1.00 0.00 N ATOM 896 CA ILE A 61 -0.547 -7.304 14.925 1.00 0.00 C ATOM 897 C ILE A 61 -1.392 -6.753 16.082 1.00 0.00 C ATOM 898 O ILE A 61 -1.266 -5.584 16.445 1.00 0.00 O ATOM 899 CB ILE A 61 -1.316 -7.394 13.593 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.382 -7.824 12.444 1.00 0.00 C ATOM 901 CG2 ILE A 61 -1.937 -6.038 13.244 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.153 -8.411 11.258 1.00 0.00 C ATOM 0 H ILE A 61 -0.362 -9.364 14.666 1.00 0.00 H new ATOM 0 HA ILE A 61 0.267 -6.595 14.773 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.101 -8.140 13.715 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.197 -6.964 12.108 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.329 -8.563 12.814 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.477 -6.117 12.300 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.627 -5.740 14.033 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.149 -5.291 13.150 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.452 -8.699 10.475 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.711 -9.288 11.585 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.845 -7.665 10.869 1.00 0.00 H new ATOM 914 N GLU A 62 -2.241 -7.601 16.674 1.00 0.00 N ATOM 915 CA GLU A 62 -3.053 -7.254 17.830 1.00 0.00 C ATOM 916 C GLU A 62 -2.153 -6.839 18.998 1.00 0.00 C ATOM 917 O GLU A 62 -2.401 -5.817 19.632 1.00 0.00 O ATOM 918 CB GLU A 62 -3.970 -8.438 18.181 1.00 0.00 C ATOM 919 CG GLU A 62 -5.213 -8.019 18.979 1.00 0.00 C ATOM 920 CD GLU A 62 -4.881 -7.470 20.365 1.00 0.00 C ATOM 921 OE1 GLU A 62 -4.218 -8.208 21.126 1.00 0.00 O ATOM 922 OE2 GLU A 62 -5.298 -6.325 20.639 1.00 0.00 O ATOM 0 H GLU A 62 -2.380 -8.559 16.354 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.690 -6.399 17.603 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.285 -8.931 17.261 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.404 -9.170 18.758 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.760 -7.262 18.417 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.876 -8.878 19.085 1.00 0.00 H new ATOM 929 N ASP A 63 -1.103 -7.626 19.263 1.00 0.00 N ATOM 930 CA ASP A 63 -0.145 -7.390 20.334 1.00 0.00 C ATOM 931 C ASP A 63 0.551 -6.035 20.178 1.00 0.00 C ATOM 932 O ASP A 63 0.704 -5.321 21.167 1.00 0.00 O ATOM 933 CB ASP A 63 0.866 -8.542 20.389 1.00 0.00 C ATOM 934 CG ASP A 63 1.856 -8.366 21.536 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.468 -8.694 22.678 1.00 0.00 O ATOM 936 OD2 ASP A 63 2.982 -7.904 21.251 1.00 0.00 O ATOM 0 H ASP A 63 -0.897 -8.465 18.720 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.684 -7.357 21.281 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.336 -9.487 20.507 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.408 -8.597 19.445 1.00 0.00 H new ATOM 941 N MET A 64 0.957 -5.672 18.951 1.00 0.00 N ATOM 942 CA MET A 64 1.501 -4.346 18.672 1.00 0.00 C ATOM 943 C MET A 64 0.496 -3.258 19.055 1.00 0.00 C ATOM 944 O MET A 64 0.875 -2.287 19.708 1.00 0.00 O ATOM 945 CB MET A 64 1.918 -4.213 17.201 1.00 0.00 C ATOM 946 CG MET A 64 3.237 -4.941 16.915 1.00 0.00 C ATOM 947 SD MET A 64 3.957 -4.597 15.286 1.00 0.00 S ATOM 948 CE MET A 64 2.701 -5.345 14.225 1.00 0.00 C ATOM 0 H MET A 64 0.916 -6.286 18.137 1.00 0.00 H new ATOM 0 HA MET A 64 2.395 -4.216 19.282 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.133 -4.619 16.563 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.022 -3.158 16.947 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.961 -4.667 17.682 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.070 -6.014 17.004 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.060 -5.367 13.196 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.500 -6.362 14.561 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.784 -4.758 14.277 1.00 0.00 H new ATOM 958 N GLY A 65 -0.775 -3.431 18.672 1.00 0.00 N ATOM 959 CA GLY A 65 -1.875 -2.592 19.130 1.00 0.00 C ATOM 960 C GLY A 65 -2.693 -2.060 17.962 1.00 0.00 C ATOM 961 O GLY A 65 -2.761 -0.848 17.761 1.00 0.00 O ATOM 0 H GLY A 65 -1.065 -4.167 18.028 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.520 -3.166 19.796 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.481 -1.757 19.710 1.00 0.00 H new ATOM 965 N PHE A 66 -3.323 -2.966 17.206 1.00 0.00 N ATOM 966 CA PHE A 66 -4.239 -2.627 16.126 1.00 0.00 C ATOM 967 C PHE A 66 -5.422 -3.594 16.142 1.00 0.00 C ATOM 968 O PHE A 66 -5.324 -4.692 16.685 1.00 0.00 O ATOM 969 CB PHE A 66 -3.513 -2.677 14.777 1.00 0.00 C ATOM 970 CG PHE A 66 -2.247 -1.845 14.708 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.336 -0.447 14.581 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.987 -2.453 14.875 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.171 0.338 14.614 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.178 -1.668 14.893 1.00 0.00 C ATOM 975 CZ PHE A 66 0.088 -0.274 14.756 1.00 0.00 C ATOM 0 H PHE A 66 -3.204 -3.971 17.335 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.610 -1.612 16.271 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.263 -3.714 14.553 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.197 -2.338 13.999 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.300 0.023 14.458 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.917 -3.525 14.989 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.242 1.412 14.530 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.143 -2.137 15.012 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.984 0.328 14.760 1.00 0.00 H new ATOM 985 N ASP A 67 -6.543 -3.184 15.539 1.00 0.00 N ATOM 986 CA ASP A 67 -7.747 -3.995 15.449 1.00 0.00 C ATOM 987 C ASP A 67 -7.565 -5.012 14.322 1.00 0.00 C ATOM 988 O ASP A 67 -7.941 -4.754 13.179 1.00 0.00 O ATOM 989 CB ASP A 67 -8.961 -3.092 15.210 1.00 0.00 C ATOM 990 CG ASP A 67 -9.140 -2.070 16.329 1.00 0.00 C ATOM 991 OD1 ASP A 67 -9.683 -2.468 17.382 1.00 0.00 O ATOM 992 OD2 ASP A 67 -8.728 -0.909 16.111 1.00 0.00 O ATOM 0 H ASP A 67 -6.634 -2.269 15.097 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.920 -4.535 16.380 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.845 -2.572 14.259 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.859 -3.705 15.131 1.00 0.00 H new ATOM 997 N ALA A 68 -6.973 -6.163 14.662 1.00 0.00 N ATOM 998 CA ALA A 68 -6.581 -7.198 13.720 1.00 0.00 C ATOM 999 C ALA A 68 -7.631 -8.307 13.702 1.00 0.00 C ATOM 1000 O ALA A 68 -7.866 -8.951 14.724 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.217 -7.754 14.135 1.00 0.00 C ATOM 0 H ALA A 68 -6.751 -6.399 15.629 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.508 -6.781 12.716 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.913 -8.532 13.435 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.480 -6.951 14.128 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.286 -8.175 15.138 1.00 0.00 H new ATOM 1007 N THR A 69 -8.254 -8.530 12.539 1.00 0.00 N ATOM 1008 CA THR A 69 -9.235 -9.586 12.309 1.00 0.00 C ATOM 1009 C THR A 69 -8.964 -10.217 10.944 1.00 0.00 C ATOM 1010 O THR A 69 -8.469 -9.540 10.048 1.00 0.00 O ATOM 1011 CB THR A 69 -10.661 -9.016 12.386 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.820 -7.948 11.476 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.007 -8.527 13.796 1.00 0.00 C ATOM 0 H THR A 69 -8.081 -7.961 11.710 1.00 0.00 H new ATOM 0 HA THR A 69 -9.147 -10.352 13.080 1.00 0.00 H new ATOM 0 HB THR A 69 -11.340 -9.828 12.126 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.734 -7.599 11.538 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.023 -8.132 13.805 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.934 -9.358 14.497 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.310 -7.742 14.090 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.274 -11.508 10.772 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.051 -12.192 9.502 1.00 0.00 C ATOM 1023 C LEU A 70 -10.088 -11.740 8.474 1.00 0.00 C ATOM 1024 O LEU A 70 -11.284 -11.770 8.758 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.130 -13.719 9.671 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.189 -14.313 10.731 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -8.198 -15.841 10.616 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.750 -13.818 10.572 1.00 0.00 C ATOM 0 H LEU A 70 -9.680 -12.096 11.500 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.051 -11.933 9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.155 -13.987 9.928 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.910 -14.186 8.711 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.551 -13.990 11.707 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.532 -16.266 11.366 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.210 -16.212 10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.859 -16.133 9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.124 -14.266 11.344 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.374 -14.103 9.589 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.726 -12.733 10.669 1.00 0.00 H new ATOM 1040 N SER A 71 -9.628 -11.344 7.281 1.00 0.00 N ATOM 1041 CA SER A 71 -10.492 -11.099 6.133 1.00 0.00 C ATOM 1042 C SER A 71 -10.639 -12.409 5.362 1.00 0.00 C ATOM 1043 O SER A 71 -11.754 -12.843 5.078 1.00 0.00 O ATOM 1044 CB SER A 71 -9.903 -9.998 5.242 1.00 0.00 C ATOM 1045 OG SER A 71 -10.924 -9.403 4.470 1.00 0.00 O ATOM 0 H SER A 71 -8.639 -11.185 7.090 1.00 0.00 H new ATOM 0 HA SER A 71 -11.472 -10.756 6.465 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.415 -9.243 5.858 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.139 -10.418 4.588 1.00 0.00 H new ATOM 0 HG SER A 71 -10.540 -8.700 3.905 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.498 -13.031 5.036 1.00 0.00 N ATOM 1052 CA ASP A 72 -9.404 -14.307 4.343 1.00 0.00 C ATOM 1053 C ASP A 72 -7.983 -14.855 4.489 1.00 0.00 C ATOM 1054 O ASP A 72 -7.069 -14.035 4.727 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.796 -14.160 2.865 1.00 0.00 C ATOM 1056 CG ASP A 72 -8.986 -13.082 2.147 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -7.864 -13.406 1.702 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -9.509 -11.950 2.051 1.00 0.00 O ATOM 1059 OXT ASP A 72 -7.831 -16.089 4.358 1.00 0.00 O ATOM 0 H ASP A 72 -8.584 -12.637 5.260 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.103 -15.013 4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.653 -15.114 2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.857 -13.918 2.797 1.00 0.00 H new TER 1064 ASP A 72