USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 525 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 41 THR OG1 : rot -61:sc= 1.52 USER MOD Set 1.2: A 45 SER OG : rot 93:sc= 1.06 USER MOD Set 2.1: A 32 ASN : amide:sc= -0.779 K(o=-0.81,f=-4.3!) USER MOD Set 2.2: A 33 ASN : amide:sc= -0.034 K(o=-0.81,f=-1.8) USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= -0.0138 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 THR N :NH3+ 158:sc= 0.0259 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.398 K(o=-0.4,f=-1.5) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= -0.828 (180deg=-1.48) USER MOD Single : A 14 ASN : amide:sc= -1.99 K(o=-2,f=-2.9!) USER MOD Single : A 20 THR OG1 : rot 49:sc= 1.15 USER MOD Single : A 21 GLN : amide:sc= -0.0483 K(o=-0.048,f=-1.3!) USER MOD Single : A 25 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.1!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=-0.051) USER MOD Single : A 30 SER OG : rot -164:sc= 1.6 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 73:sc= 0.937 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.671 K(o=-0.67,f=-5!) USER MOD Single : A 46 ASN : amide:sc= -0.594 K(o=-0.59,f=-5.4!) USER MOD Single : A 47 THR OG1 : rot 81:sc= 0.0535 USER MOD Single : A 48 TYR OH : rot -15:sc= -1.69 USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= -0.193 (180deg=-0.965) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.08) USER MOD Single : A 63 ASN : amide:sc= -1.92 K(o=-1.9,f=-7.9!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.285 -2.652 -0.277 1.00 0.00 N ATOM 2 CA THR A 1 -2.098 -3.358 0.281 1.00 0.00 C ATOM 3 C THR A 1 -1.292 -2.375 1.135 1.00 0.00 C ATOM 4 O THR A 1 -1.344 -1.167 0.907 1.00 0.00 O ATOM 5 CB THR A 1 -1.251 -3.899 -0.883 1.00 0.00 C ATOM 6 OG1 THR A 1 -1.206 -5.318 -0.813 1.00 0.00 O ATOM 7 CG2 THR A 1 0.175 -3.337 -0.825 1.00 0.00 C ATOM 0 H1 THR A 1 -3.623 -3.156 -1.122 1.00 0.00 H new ATOM 0 H2 THR A 1 -4.041 -2.626 0.437 1.00 0.00 H new ATOM 0 H3 THR A 1 -3.021 -1.680 -0.536 1.00 0.00 H new ATOM 0 HA THR A 1 -2.405 -4.194 0.909 1.00 0.00 H new ATOM 0 HB THR A 1 -1.708 -3.587 -1.822 1.00 0.00 H new ATOM 0 HG1 THR A 1 -0.668 -5.665 -1.555 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.756 -3.733 -1.658 1.00 0.00 H new ATOM 0 HG22 THR A 1 0.140 -2.250 -0.891 1.00 0.00 H new ATOM 0 HG23 THR A 1 0.643 -3.629 0.115 1.00 0.00 H new ATOM 17 N PRO A 2 -0.554 -2.858 2.107 1.00 0.00 N ATOM 18 CA PRO A 2 0.266 -1.984 2.996 1.00 0.00 C ATOM 19 C PRO A 2 1.488 -1.419 2.277 1.00 0.00 C ATOM 20 O PRO A 2 1.966 -1.993 1.299 1.00 0.00 O ATOM 21 CB PRO A 2 0.684 -2.913 4.137 1.00 0.00 C ATOM 22 CG PRO A 2 0.658 -4.287 3.555 1.00 0.00 C ATOM 23 CD PRO A 2 -0.417 -4.281 2.469 1.00 0.00 C ATOM 0 HA PRO A 2 -0.290 -1.111 3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.678 -2.661 4.506 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.000 -2.831 4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.630 -4.549 3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.431 -5.028 4.321 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.120 -4.884 1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.358 -4.691 2.837 1.00 0.00 H new ATOM 31 N ILE A 3 1.987 -0.289 2.769 1.00 0.00 N ATOM 32 CA ILE A 3 3.153 0.346 2.165 1.00 0.00 C ATOM 33 C ILE A 3 4.281 -0.665 1.987 1.00 0.00 C ATOM 34 O ILE A 3 4.505 -1.518 2.846 1.00 0.00 O ATOM 35 CB ILE A 3 3.633 1.500 3.047 1.00 0.00 C ATOM 36 CG1 ILE A 3 4.717 2.290 2.309 1.00 0.00 C ATOM 37 CG2 ILE A 3 4.208 0.942 4.350 1.00 0.00 C ATOM 38 CD1 ILE A 3 4.083 3.094 1.171 1.00 0.00 C ATOM 0 H ILE A 3 1.606 0.202 3.578 1.00 0.00 H new ATOM 0 HA ILE A 3 2.868 0.731 1.186 1.00 0.00 H new ATOM 0 HB ILE A 3 2.793 2.158 3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.227 2.960 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.470 1.609 1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.550 1.764 4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.437 0.379 4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.047 0.284 4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.857 3.655 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.593 2.414 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.347 3.786 1.580 1.00 0.00 H new ATOM 50 N GLU A 4 4.990 -0.563 0.867 1.00 0.00 N ATOM 51 CA GLU A 4 6.093 -1.474 0.587 1.00 0.00 C ATOM 52 C GLU A 4 7.116 -1.442 1.719 1.00 0.00 C ATOM 53 O GLU A 4 7.105 -0.535 2.552 1.00 0.00 O ATOM 54 CB GLU A 4 6.772 -1.084 -0.728 1.00 0.00 C ATOM 55 CG GLU A 4 7.361 0.322 -0.601 1.00 0.00 C ATOM 56 CD GLU A 4 7.998 0.741 -1.922 1.00 0.00 C ATOM 57 OE1 GLU A 4 7.846 0.012 -2.888 1.00 0.00 O ATOM 58 OE2 GLU A 4 8.630 1.785 -1.947 1.00 0.00 O ATOM 0 H GLU A 4 4.822 0.136 0.144 1.00 0.00 H new ATOM 0 HA GLU A 4 5.692 -2.484 0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.559 -1.799 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.051 -1.115 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.579 1.029 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.106 0.343 0.194 1.00 0.00 H new ATOM 65 N SER A 5 7.996 -2.437 1.743 1.00 0.00 N ATOM 66 CA SER A 5 9.020 -2.513 2.779 1.00 0.00 C ATOM 67 C SER A 5 10.057 -1.411 2.592 1.00 0.00 C ATOM 68 O SER A 5 10.171 -0.829 1.513 1.00 0.00 O ATOM 69 CB SER A 5 9.709 -3.877 2.732 1.00 0.00 C ATOM 70 OG SER A 5 10.488 -3.969 1.547 1.00 0.00 O ATOM 0 H SER A 5 8.022 -3.197 1.063 1.00 0.00 H new ATOM 0 HA SER A 5 8.539 -2.381 3.748 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.343 -4.007 3.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.966 -4.674 2.755 1.00 0.00 H new ATOM 0 HG SER A 5 10.933 -4.842 1.515 1.00 0.00 H new ATOM 76 N HIS A 6 10.810 -1.129 3.650 1.00 0.00 N ATOM 77 CA HIS A 6 11.836 -0.094 3.593 1.00 0.00 C ATOM 78 C HIS A 6 12.930 -0.467 2.597 1.00 0.00 C ATOM 79 O HIS A 6 13.649 0.399 2.099 1.00 0.00 O ATOM 80 CB HIS A 6 12.453 0.104 4.979 1.00 0.00 C ATOM 81 CG HIS A 6 13.217 -1.131 5.369 1.00 0.00 C ATOM 82 ND1 HIS A 6 14.531 -1.341 4.979 1.00 0.00 N ATOM 83 CD2 HIS A 6 12.867 -2.230 6.113 1.00 0.00 C ATOM 84 CE1 HIS A 6 14.920 -2.525 5.485 1.00 0.00 C ATOM 85 NE2 HIS A 6 13.943 -3.109 6.185 1.00 0.00 N ATOM 0 H HIS A 6 10.730 -1.599 4.552 1.00 0.00 H new ATOM 0 HA HIS A 6 11.367 0.834 3.264 1.00 0.00 H new ATOM 0 HB2 HIS A 6 13.117 0.968 4.973 1.00 0.00 H new ATOM 0 HB3 HIS A 6 11.671 0.307 5.711 1.00 0.00 H new ATOM 0 HD2 HIS A 6 11.903 -2.388 6.573 1.00 0.00 H new ATOM 0 HE1 HIS A 6 15.902 -2.952 5.343 1.00 0.00 H new ATOM 0 HE2 HIS A 6 13.978 -4.007 6.668 1.00 0.00 H new ATOM 94 N GLN A 7 13.054 -1.760 2.310 1.00 0.00 N ATOM 95 CA GLN A 7 14.068 -2.229 1.372 1.00 0.00 C ATOM 96 C GLN A 7 13.920 -1.524 0.027 1.00 0.00 C ATOM 97 O GLN A 7 12.820 -1.422 -0.514 1.00 0.00 O ATOM 98 CB GLN A 7 13.939 -3.741 1.175 1.00 0.00 C ATOM 99 CG GLN A 7 15.042 -4.230 0.234 1.00 0.00 C ATOM 100 CD GLN A 7 14.983 -5.748 0.107 1.00 0.00 C ATOM 101 OE1 GLN A 7 13.909 -6.340 0.213 1.00 0.00 O ATOM 102 NE2 GLN A 7 16.081 -6.418 -0.114 1.00 0.00 N ATOM 0 H GLN A 7 12.471 -2.495 2.709 1.00 0.00 H new ATOM 0 HA GLN A 7 15.051 -2.000 1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.013 -4.251 2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.960 -3.982 0.761 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.925 -3.770 -0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 7 16.017 -3.926 0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 7 16.970 -5.926 -0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.050 -7.434 -0.199 1.00 0.00 H new ATOM 111 N VAL A 8 15.037 -1.039 -0.505 1.00 0.00 N ATOM 112 CA VAL A 8 15.023 -0.343 -1.787 1.00 0.00 C ATOM 113 C VAL A 8 14.458 -1.244 -2.881 1.00 0.00 C ATOM 114 O VAL A 8 14.577 -2.468 -2.814 1.00 0.00 O ATOM 115 CB VAL A 8 16.442 0.089 -2.161 1.00 0.00 C ATOM 116 CG1 VAL A 8 17.324 -1.148 -2.335 1.00 0.00 C ATOM 117 CG2 VAL A 8 16.405 0.876 -3.473 1.00 0.00 C ATOM 0 H VAL A 8 15.958 -1.114 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 8 14.387 0.538 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 8 16.850 0.718 -1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.335 -0.840 -2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.350 -1.710 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.916 -1.777 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.416 1.185 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.996 0.247 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.777 1.758 -3.350 1.00 0.00 H new ATOM 127 N GLU A 9 13.842 -0.630 -3.886 1.00 0.00 N ATOM 128 CA GLU A 9 13.261 -1.387 -4.990 1.00 0.00 C ATOM 129 C GLU A 9 13.347 -0.592 -6.290 1.00 0.00 C ATOM 130 O GLU A 9 13.604 0.612 -6.276 1.00 0.00 O ATOM 131 CB GLU A 9 11.797 -1.721 -4.687 1.00 0.00 C ATOM 132 CG GLU A 9 11.175 -0.610 -3.837 1.00 0.00 C ATOM 133 CD GLU A 9 11.390 0.744 -4.504 1.00 0.00 C ATOM 134 OE1 GLU A 9 11.097 0.855 -5.683 1.00 0.00 O ATOM 135 OE2 GLU A 9 11.846 1.651 -3.826 1.00 0.00 O ATOM 0 H GLU A 9 13.732 0.381 -3.959 1.00 0.00 H new ATOM 0 HA GLU A 9 13.825 -2.312 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.240 -1.834 -5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.734 -2.673 -4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.109 -0.795 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.622 -0.609 -2.843 1.00 0.00 H new ATOM 142 N LYS A 10 13.130 -1.273 -7.410 1.00 0.00 N ATOM 143 CA LYS A 10 13.187 -0.620 -8.714 1.00 0.00 C ATOM 144 C LYS A 10 12.062 -1.121 -9.615 1.00 0.00 C ATOM 145 O LYS A 10 11.646 -2.276 -9.521 1.00 0.00 O ATOM 146 CB LYS A 10 14.538 -0.896 -9.378 1.00 0.00 C ATOM 147 CG LYS A 10 14.706 -2.402 -9.592 1.00 0.00 C ATOM 148 CD LYS A 10 16.134 -2.812 -9.227 1.00 0.00 C ATOM 149 CE LYS A 10 16.211 -4.334 -9.096 1.00 0.00 C ATOM 150 NZ LYS A 10 17.147 -4.691 -7.993 1.00 0.00 N ATOM 0 H LYS A 10 12.915 -2.269 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 10 13.068 0.453 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.599 -0.374 -10.333 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.346 -0.515 -8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.991 -2.950 -8.978 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.497 -2.658 -10.631 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.829 -2.467 -9.992 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.431 -2.340 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.221 -4.743 -8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.552 -4.774 -10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.200 -5.726 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.093 -4.313 -8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.803 -4.283 -7.100 1.00 0.00 H new ATOM 164 N ARG A 11 11.573 -0.244 -10.486 1.00 0.00 N ATOM 165 CA ARG A 11 10.495 -0.609 -11.399 1.00 0.00 C ATOM 166 C ARG A 11 10.664 0.101 -12.741 1.00 0.00 C ATOM 167 O ARG A 11 9.827 0.908 -13.140 1.00 0.00 O ATOM 168 CB ARG A 11 9.112 -0.277 -10.798 1.00 0.00 C ATOM 169 CG ARG A 11 9.167 0.940 -9.853 1.00 0.00 C ATOM 170 CD ARG A 11 9.284 2.234 -10.665 1.00 0.00 C ATOM 171 NE ARG A 11 10.680 2.509 -10.994 1.00 0.00 N ATOM 172 CZ ARG A 11 11.517 3.054 -10.108 1.00 0.00 C ATOM 173 NH1 ARG A 11 11.111 3.361 -8.902 1.00 0.00 N ATOM 174 NH2 ARG A 11 12.756 3.282 -10.448 1.00 0.00 N ATOM 0 H ARG A 11 11.903 0.717 -10.579 1.00 0.00 H new ATOM 0 HA ARG A 11 10.549 -1.686 -11.557 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.405 -0.078 -11.604 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.737 -1.143 -10.252 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.270 0.970 -9.234 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.018 0.847 -9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.699 2.149 -11.581 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.868 3.066 -10.096 1.00 0.00 H new ATOM 0 HE ARG A 11 11.025 2.278 -11.926 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.144 3.184 -8.629 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.761 3.777 -8.235 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.080 3.044 -11.386 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.401 3.698 -9.776 1.00 0.00 H new ATOM 188 N LYS A 12 11.753 -0.211 -13.435 1.00 0.00 N ATOM 189 CA LYS A 12 12.020 0.402 -14.732 1.00 0.00 C ATOM 190 C LYS A 12 10.897 0.089 -15.716 1.00 0.00 C ATOM 191 O LYS A 12 10.286 -0.978 -15.658 1.00 0.00 O ATOM 192 CB LYS A 12 13.351 -0.111 -15.287 1.00 0.00 C ATOM 193 CG LYS A 12 13.284 -1.630 -15.460 1.00 0.00 C ATOM 194 CD LYS A 12 14.658 -2.156 -15.882 1.00 0.00 C ATOM 195 CE LYS A 12 14.633 -3.685 -15.912 1.00 0.00 C ATOM 196 NZ LYS A 12 13.698 -4.146 -16.977 1.00 0.00 N ATOM 0 H LYS A 12 12.460 -0.878 -13.125 1.00 0.00 H new ATOM 0 HA LYS A 12 12.076 1.482 -14.598 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.565 0.365 -16.244 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.164 0.153 -14.611 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.974 -2.100 -14.527 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.537 -1.889 -16.211 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.922 -1.767 -16.865 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.422 -1.808 -15.186 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.634 -4.072 -16.100 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.318 -4.073 -14.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.921 -5.129 -17.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.720 -4.092 -16.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.800 -3.539 -17.815 1.00 0.00 H new ATOM 210 N CYS A 13 10.629 1.030 -16.617 1.00 0.00 N ATOM 211 CA CYS A 13 9.574 0.849 -17.609 1.00 0.00 C ATOM 212 C CYS A 13 10.007 -0.145 -18.681 1.00 0.00 C ATOM 213 O CYS A 13 10.527 0.243 -19.728 1.00 0.00 O ATOM 214 CB CYS A 13 9.239 2.191 -18.264 1.00 0.00 C ATOM 215 SG CYS A 13 7.663 2.803 -17.618 1.00 0.00 S ATOM 0 H CYS A 13 11.124 1.920 -16.681 1.00 0.00 H new ATOM 0 HA CYS A 13 8.691 0.458 -17.103 1.00 0.00 H new ATOM 0 HB2 CYS A 13 10.031 2.913 -18.064 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.180 2.075 -19.346 1.00 0.00 H new ATOM 220 N ASN A 14 9.790 -1.430 -18.418 1.00 0.00 N ATOM 221 CA ASN A 14 10.163 -2.465 -19.376 1.00 0.00 C ATOM 222 C ASN A 14 8.930 -3.008 -20.095 1.00 0.00 C ATOM 223 O ASN A 14 8.920 -3.111 -21.322 1.00 0.00 O ATOM 224 CB ASN A 14 10.894 -3.607 -18.663 1.00 0.00 C ATOM 225 CG ASN A 14 10.031 -4.161 -17.534 1.00 0.00 C ATOM 226 OD1 ASN A 14 9.212 -5.052 -17.757 1.00 0.00 O ATOM 227 ND2 ASN A 14 10.168 -3.684 -16.327 1.00 0.00 N ATOM 0 H ASN A 14 9.363 -1.777 -17.559 1.00 0.00 H new ATOM 0 HA ASN A 14 10.829 -2.020 -20.116 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.128 -4.399 -19.374 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.842 -3.248 -18.263 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.596 -4.050 -15.566 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.848 -2.946 -16.145 1.00 0.00 H new ATOM 234 N THR A 15 7.901 -3.366 -19.325 1.00 0.00 N ATOM 235 CA THR A 15 6.671 -3.912 -19.898 1.00 0.00 C ATOM 236 C THR A 15 6.214 -3.100 -21.107 1.00 0.00 C ATOM 237 O THR A 15 6.534 -1.918 -21.235 1.00 0.00 O ATOM 238 CB THR A 15 5.562 -3.927 -18.841 1.00 0.00 C ATOM 239 OG1 THR A 15 4.362 -4.412 -19.426 1.00 0.00 O ATOM 240 CG2 THR A 15 5.334 -2.511 -18.307 1.00 0.00 C ATOM 0 H THR A 15 7.895 -3.288 -18.308 1.00 0.00 H new ATOM 0 HA THR A 15 6.878 -4.930 -20.227 1.00 0.00 H new ATOM 0 HB THR A 15 5.857 -4.577 -18.017 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.651 -4.424 -18.752 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.544 -2.528 -17.556 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.255 -2.139 -17.857 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.040 -1.856 -19.127 1.00 0.00 H new ATOM 248 N ALA A 16 5.466 -3.751 -21.992 1.00 0.00 N ATOM 249 CA ALA A 16 4.966 -3.098 -23.197 1.00 0.00 C ATOM 250 C ALA A 16 3.883 -2.074 -22.864 1.00 0.00 C ATOM 251 O ALA A 16 3.576 -1.202 -23.677 1.00 0.00 O ATOM 252 CB ALA A 16 4.396 -4.146 -24.153 1.00 0.00 C ATOM 0 H ALA A 16 5.193 -4.729 -21.898 1.00 0.00 H new ATOM 0 HA ALA A 16 5.799 -2.577 -23.669 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.024 -3.654 -25.052 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.179 -4.854 -24.425 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.579 -4.677 -23.665 1.00 0.00 H new ATOM 258 N THR A 17 3.301 -2.183 -21.673 1.00 0.00 N ATOM 259 CA THR A 17 2.251 -1.256 -21.262 1.00 0.00 C ATOM 260 C THR A 17 2.792 0.167 -21.168 1.00 0.00 C ATOM 261 O THR A 17 2.136 1.119 -21.590 1.00 0.00 O ATOM 262 CB THR A 17 1.682 -1.679 -19.906 1.00 0.00 C ATOM 263 OG1 THR A 17 1.112 -2.976 -20.017 1.00 0.00 O ATOM 264 CG2 THR A 17 0.607 -0.683 -19.469 1.00 0.00 C ATOM 0 H THR A 17 3.535 -2.896 -20.982 1.00 0.00 H new ATOM 0 HA THR A 17 1.460 -1.280 -22.012 1.00 0.00 H new ATOM 0 HB THR A 17 2.481 -1.695 -19.165 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.749 -3.249 -19.149 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.202 -0.985 -18.503 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.045 0.311 -19.384 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.194 -0.664 -20.208 1.00 0.00 H new ATOM 272 N CYS A 18 3.991 0.305 -20.611 1.00 0.00 N ATOM 273 CA CYS A 18 4.608 1.619 -20.466 1.00 0.00 C ATOM 274 C CYS A 18 4.837 2.258 -21.832 1.00 0.00 C ATOM 275 O CYS A 18 4.553 3.438 -22.032 1.00 0.00 O ATOM 276 CB CYS A 18 5.942 1.487 -19.728 1.00 0.00 C ATOM 277 SG CYS A 18 6.546 3.131 -19.270 1.00 0.00 S ATOM 0 H CYS A 18 4.551 -0.470 -20.255 1.00 0.00 H new ATOM 0 HA CYS A 18 3.936 2.256 -19.891 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.817 0.873 -18.836 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.672 0.984 -20.362 1.00 0.00 H new ATOM 282 N ALA A 19 5.355 1.471 -22.768 1.00 0.00 N ATOM 283 CA ALA A 19 5.620 1.970 -24.114 1.00 0.00 C ATOM 284 C ALA A 19 4.317 2.220 -24.868 1.00 0.00 C ATOM 285 O ALA A 19 4.227 3.135 -25.685 1.00 0.00 O ATOM 286 CB ALA A 19 6.472 0.961 -24.886 1.00 0.00 C ATOM 0 H ALA A 19 5.599 0.491 -22.622 1.00 0.00 H new ATOM 0 HA ALA A 19 6.159 2.914 -24.028 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.665 1.340 -25.889 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.418 0.811 -24.366 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.940 0.012 -24.953 1.00 0.00 H new ATOM 292 N THR A 20 3.314 1.391 -24.604 1.00 0.00 N ATOM 293 CA THR A 20 2.026 1.524 -25.276 1.00 0.00 C ATOM 294 C THR A 20 1.366 2.866 -24.962 1.00 0.00 C ATOM 295 O THR A 20 0.824 3.520 -25.853 1.00 0.00 O ATOM 296 CB THR A 20 1.096 0.388 -24.848 1.00 0.00 C ATOM 297 OG1 THR A 20 1.649 -0.855 -25.256 1.00 0.00 O ATOM 298 CG2 THR A 20 -0.276 0.575 -25.497 1.00 0.00 C ATOM 0 H THR A 20 3.366 0.624 -23.934 1.00 0.00 H new ATOM 0 HA THR A 20 2.204 1.474 -26.350 1.00 0.00 H new ATOM 0 HB THR A 20 0.986 0.399 -23.764 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.590 -0.899 -24.985 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.937 -0.236 -25.191 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.701 1.528 -25.182 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.170 0.566 -26.582 1.00 0.00 H new ATOM 306 N GLN A 21 1.391 3.264 -23.693 1.00 0.00 N ATOM 307 CA GLN A 21 0.766 4.521 -23.289 1.00 0.00 C ATOM 308 C GLN A 21 1.575 5.730 -23.762 1.00 0.00 C ATOM 309 O GLN A 21 1.005 6.779 -24.065 1.00 0.00 O ATOM 310 CB GLN A 21 0.598 4.560 -21.764 1.00 0.00 C ATOM 311 CG GLN A 21 1.834 5.185 -21.112 1.00 0.00 C ATOM 312 CD GLN A 21 1.814 4.930 -19.609 1.00 0.00 C ATOM 313 OE1 GLN A 21 1.357 3.878 -19.162 1.00 0.00 O ATOM 314 NE2 GLN A 21 2.284 5.837 -18.796 1.00 0.00 N ATOM 0 H GLN A 21 1.831 2.742 -22.935 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.215 4.573 -23.761 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.290 5.136 -21.503 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.447 3.551 -21.381 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.739 4.763 -21.549 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.856 6.257 -21.307 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.662 6.708 -19.168 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.273 5.674 -17.789 1.00 0.00 H new ATOM 323 N ARG A 22 2.897 5.590 -23.827 1.00 0.00 N ATOM 324 CA ARG A 22 3.743 6.696 -24.267 1.00 0.00 C ATOM 325 C ARG A 22 3.826 6.744 -25.793 1.00 0.00 C ATOM 326 O ARG A 22 4.104 7.793 -26.374 1.00 0.00 O ATOM 327 CB ARG A 22 5.147 6.574 -23.650 1.00 0.00 C ATOM 328 CG ARG A 22 6.046 5.668 -24.500 1.00 0.00 C ATOM 329 CD ARG A 22 6.845 6.519 -25.490 1.00 0.00 C ATOM 330 NE ARG A 22 8.240 6.608 -25.069 1.00 0.00 N ATOM 331 CZ ARG A 22 9.105 5.615 -25.287 1.00 0.00 C ATOM 332 NH1 ARG A 22 8.727 4.517 -25.892 1.00 0.00 N ATOM 333 NH2 ARG A 22 10.343 5.740 -24.894 1.00 0.00 N ATOM 0 H ARG A 22 3.399 4.736 -23.585 1.00 0.00 H new ATOM 0 HA ARG A 22 3.294 7.628 -23.925 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.598 7.563 -23.565 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.070 6.171 -22.640 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.724 5.106 -23.858 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.440 4.939 -25.038 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.786 6.082 -26.487 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.413 7.518 -25.554 1.00 0.00 H new ATOM 0 HE ARG A 22 8.562 7.452 -24.595 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.761 4.413 -26.203 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.398 3.766 -26.052 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.645 6.593 -24.423 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.009 4.985 -25.058 1.00 0.00 H new ATOM 347 N LEU A 23 3.584 5.605 -26.434 1.00 0.00 N ATOM 348 CA LEU A 23 3.635 5.534 -27.890 1.00 0.00 C ATOM 349 C LEU A 23 2.309 5.982 -28.497 1.00 0.00 C ATOM 350 O LEU A 23 2.284 6.700 -29.496 1.00 0.00 O ATOM 351 CB LEU A 23 3.946 4.100 -28.332 1.00 0.00 C ATOM 352 CG LEU A 23 4.049 4.032 -29.859 1.00 0.00 C ATOM 353 CD1 LEU A 23 5.251 4.855 -30.332 1.00 0.00 C ATOM 354 CD2 LEU A 23 4.230 2.575 -30.290 1.00 0.00 C ATOM 0 H LEU A 23 3.352 4.725 -25.973 1.00 0.00 H new ATOM 0 HA LEU A 23 4.423 6.201 -28.240 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.881 3.767 -27.881 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.165 3.425 -27.982 1.00 0.00 H new ATOM 0 HG LEU A 23 3.138 4.436 -30.302 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.322 4.805 -31.419 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.125 5.893 -30.024 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.163 4.454 -29.890 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.304 2.523 -31.376 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.141 2.174 -29.845 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.375 1.988 -29.956 1.00 0.00 H new ATOM 366 N ALA A 24 1.210 5.545 -27.891 1.00 0.00 N ATOM 367 CA ALA A 24 -0.115 5.899 -28.385 1.00 0.00 C ATOM 368 C ALA A 24 -0.315 7.411 -28.375 1.00 0.00 C ATOM 369 O ALA A 24 -0.828 7.981 -29.336 1.00 0.00 O ATOM 370 CB ALA A 24 -1.188 5.237 -27.520 1.00 0.00 C ATOM 0 H ALA A 24 1.210 4.949 -27.063 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.201 5.543 -29.412 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.175 5.506 -27.895 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.069 4.154 -27.557 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.086 5.578 -26.490 1.00 0.00 H new ATOM 376 N ASN A 25 0.090 8.054 -27.284 1.00 0.00 N ATOM 377 CA ASN A 25 -0.055 9.501 -27.161 1.00 0.00 C ATOM 378 C ASN A 25 0.777 10.228 -28.213 1.00 0.00 C ATOM 379 O ASN A 25 0.352 11.245 -28.763 1.00 0.00 O ATOM 380 CB ASN A 25 0.389 9.947 -25.766 1.00 0.00 C ATOM 381 CG ASN A 25 -0.642 9.514 -24.729 1.00 0.00 C ATOM 382 OD1 ASN A 25 -0.289 8.911 -23.716 1.00 0.00 O ATOM 383 ND2 ASN A 25 -1.903 9.788 -24.922 1.00 0.00 N ATOM 0 H ASN A 25 0.518 7.600 -26.477 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.104 9.752 -27.316 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.361 9.514 -25.528 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.509 11.030 -25.742 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.598 9.502 -24.233 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.193 10.288 -25.762 1.00 0.00 H new ATOM 390 N PHE A 26 1.968 9.708 -28.480 1.00 0.00 N ATOM 391 CA PHE A 26 2.858 10.320 -29.460 1.00 0.00 C ATOM 392 C PHE A 26 2.321 10.139 -30.878 1.00 0.00 C ATOM 393 O PHE A 26 2.432 11.038 -31.712 1.00 0.00 O ATOM 394 CB PHE A 26 4.251 9.695 -29.357 1.00 0.00 C ATOM 395 CG PHE A 26 5.210 10.450 -30.247 1.00 0.00 C ATOM 396 CD1 PHE A 26 5.739 11.676 -29.825 1.00 0.00 C ATOM 397 CD2 PHE A 26 5.571 9.924 -31.493 1.00 0.00 C ATOM 398 CE1 PHE A 26 6.628 12.376 -30.649 1.00 0.00 C ATOM 399 CE2 PHE A 26 6.460 10.624 -32.317 1.00 0.00 C ATOM 400 CZ PHE A 26 6.989 11.850 -31.895 1.00 0.00 C ATOM 0 H PHE A 26 2.339 8.869 -28.035 1.00 0.00 H new ATOM 0 HA PHE A 26 2.916 11.387 -29.247 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.598 9.723 -28.324 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.213 8.646 -29.652 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.461 12.082 -28.863 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.164 8.978 -31.819 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.035 13.322 -30.323 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.738 10.218 -33.279 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.675 12.390 -32.531 1.00 0.00 H new ATOM 410 N LEU A 27 1.754 8.968 -31.150 1.00 0.00 N ATOM 411 CA LEU A 27 1.221 8.677 -32.478 1.00 0.00 C ATOM 412 C LEU A 27 0.019 9.570 -32.788 1.00 0.00 C ATOM 413 O LEU A 27 -0.034 10.206 -33.841 1.00 0.00 O ATOM 414 CB LEU A 27 0.825 7.187 -32.545 1.00 0.00 C ATOM 415 CG LEU A 27 0.258 6.779 -33.927 1.00 0.00 C ATOM 416 CD1 LEU A 27 -1.245 7.096 -34.010 1.00 0.00 C ATOM 417 CD2 LEU A 27 1.008 7.489 -35.066 1.00 0.00 C ATOM 0 H LEU A 27 1.652 8.210 -30.475 1.00 0.00 H new ATOM 0 HA LEU A 27 1.986 8.883 -33.227 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.697 6.573 -32.320 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.081 6.978 -31.776 1.00 0.00 H new ATOM 0 HG LEU A 27 0.400 5.704 -34.040 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.625 6.802 -34.988 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.776 6.545 -33.234 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.400 8.165 -33.867 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.588 7.183 -36.024 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.905 8.568 -34.952 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.064 7.220 -35.030 1.00 0.00 H new ATOM 429 N VAL A 28 -0.949 9.612 -31.877 1.00 0.00 N ATOM 430 CA VAL A 28 -2.143 10.426 -32.089 1.00 0.00 C ATOM 431 C VAL A 28 -1.783 11.896 -32.281 1.00 0.00 C ATOM 432 O VAL A 28 -2.562 12.664 -32.845 1.00 0.00 O ATOM 433 CB VAL A 28 -3.097 10.288 -30.898 1.00 0.00 C ATOM 434 CG1 VAL A 28 -3.496 8.820 -30.728 1.00 0.00 C ATOM 435 CG2 VAL A 28 -2.409 10.782 -29.624 1.00 0.00 C ATOM 0 H VAL A 28 -0.932 9.099 -30.995 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.633 10.067 -32.994 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.989 10.888 -31.081 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.175 8.723 -29.880 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.993 8.471 -31.633 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.604 8.219 -30.549 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.091 10.682 -28.780 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.514 10.187 -29.440 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.131 11.829 -29.743 1.00 0.00 H new ATOM 445 N HIS A 29 -0.605 12.288 -31.804 1.00 0.00 N ATOM 446 CA HIS A 29 -0.171 13.675 -31.929 1.00 0.00 C ATOM 447 C HIS A 29 0.745 13.853 -33.136 1.00 0.00 C ATOM 448 O HIS A 29 0.861 14.951 -33.681 1.00 0.00 O ATOM 449 CB HIS A 29 0.565 14.107 -30.659 1.00 0.00 C ATOM 450 CG HIS A 29 1.096 15.503 -30.838 1.00 0.00 C ATOM 451 ND1 HIS A 29 0.268 16.614 -30.839 1.00 0.00 N ATOM 452 CD2 HIS A 29 2.369 15.984 -31.023 1.00 0.00 C ATOM 453 CE1 HIS A 29 1.044 17.699 -31.020 1.00 0.00 C ATOM 454 NE2 HIS A 29 2.333 17.370 -31.137 1.00 0.00 N ATOM 0 H HIS A 29 0.059 11.673 -31.333 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.055 14.297 -32.069 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.110 14.070 -29.804 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.384 13.419 -30.448 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.262 15.379 -31.072 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.670 18.711 -31.065 1.00 0.00 H new ATOM 0 HE2 HIS A 29 3.122 18.000 -31.279 1.00 0.00 H new ATOM 463 N SER A 30 1.397 12.770 -33.544 1.00 0.00 N ATOM 464 CA SER A 30 2.306 12.819 -34.684 1.00 0.00 C ATOM 465 C SER A 30 1.600 12.397 -35.971 1.00 0.00 C ATOM 466 O SER A 30 2.253 12.053 -36.957 1.00 0.00 O ATOM 467 CB SER A 30 3.501 11.900 -34.435 1.00 0.00 C ATOM 468 OG SER A 30 4.248 12.391 -33.329 1.00 0.00 O ATOM 0 H SER A 30 1.314 11.853 -33.106 1.00 0.00 H new ATOM 0 HA SER A 30 2.648 13.847 -34.799 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.158 10.885 -34.235 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.131 11.855 -35.323 1.00 0.00 H new ATOM 0 HG SER A 30 5.135 11.974 -33.322 1.00 0.00 H new ATOM 474 N SER A 31 0.271 12.434 -35.967 1.00 0.00 N ATOM 475 CA SER A 31 -0.488 12.058 -37.154 1.00 0.00 C ATOM 476 C SER A 31 -0.111 12.969 -38.318 1.00 0.00 C ATOM 477 O SER A 31 0.172 12.508 -39.423 1.00 0.00 O ATOM 478 CB SER A 31 -1.987 12.174 -36.876 1.00 0.00 C ATOM 479 OG SER A 31 -2.711 11.830 -38.050 1.00 0.00 O ATOM 0 H SER A 31 -0.296 12.716 -35.167 1.00 0.00 H new ATOM 0 HA SER A 31 -0.252 11.026 -37.412 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.268 11.514 -36.055 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.234 13.190 -36.567 1.00 0.00 H new ATOM 0 HG SER A 31 -3.672 11.902 -37.874 1.00 0.00 H new ATOM 485 N ASN A 32 -0.110 14.270 -38.049 1.00 0.00 N ATOM 486 CA ASN A 32 0.235 15.256 -39.065 1.00 0.00 C ATOM 487 C ASN A 32 1.556 14.892 -39.734 1.00 0.00 C ATOM 488 O ASN A 32 1.643 14.806 -40.959 1.00 0.00 O ATOM 489 CB ASN A 32 0.348 16.644 -38.429 1.00 0.00 C ATOM 490 CG ASN A 32 1.131 16.560 -37.124 1.00 0.00 C ATOM 491 OD1 ASN A 32 0.665 15.958 -36.156 1.00 0.00 O ATOM 492 ND2 ASN A 32 2.302 17.130 -37.038 1.00 0.00 N ATOM 0 H ASN A 32 -0.344 14.665 -37.138 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.552 15.266 -39.819 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.845 17.328 -39.117 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.647 17.048 -38.240 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.832 17.077 -36.168 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.687 17.628 -37.841 1.00 0.00 H new ATOM 499 N ASN A 33 2.583 14.682 -38.918 1.00 0.00 N ATOM 500 CA ASN A 33 3.901 14.330 -39.433 1.00 0.00 C ATOM 501 C ASN A 33 3.857 13.008 -40.191 1.00 0.00 C ATOM 502 O ASN A 33 4.505 12.861 -41.228 1.00 0.00 O ATOM 503 CB ASN A 33 4.901 14.227 -38.280 1.00 0.00 C ATOM 504 CG ASN A 33 5.197 15.615 -37.721 1.00 0.00 C ATOM 505 OD1 ASN A 33 4.895 15.895 -36.561 1.00 0.00 O ATOM 506 ND2 ASN A 33 5.773 16.505 -38.481 1.00 0.00 N ATOM 0 H ASN A 33 2.529 14.749 -37.902 1.00 0.00 H new ATOM 0 HA ASN A 33 4.216 15.113 -40.122 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.498 13.588 -37.494 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.823 13.762 -38.628 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.974 17.435 -38.114 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.022 16.271 -39.442 1.00 0.00 H new ATOM 513 N PHE A 34 3.104 12.043 -39.674 1.00 0.00 N ATOM 514 CA PHE A 34 3.009 10.742 -40.326 1.00 0.00 C ATOM 515 C PHE A 34 2.651 10.906 -41.800 1.00 0.00 C ATOM 516 O PHE A 34 3.187 10.206 -42.658 1.00 0.00 O ATOM 517 CB PHE A 34 1.953 9.880 -39.632 1.00 0.00 C ATOM 518 CG PHE A 34 1.865 8.540 -40.322 1.00 0.00 C ATOM 519 CD1 PHE A 34 2.844 7.567 -40.090 1.00 0.00 C ATOM 520 CD2 PHE A 34 0.804 8.270 -41.195 1.00 0.00 C ATOM 521 CE1 PHE A 34 2.763 6.325 -40.730 1.00 0.00 C ATOM 522 CE2 PHE A 34 0.723 7.027 -41.835 1.00 0.00 C ATOM 523 CZ PHE A 34 1.703 6.055 -41.603 1.00 0.00 C ATOM 0 H PHE A 34 2.558 12.134 -38.818 1.00 0.00 H new ATOM 0 HA PHE A 34 3.979 10.250 -40.252 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.212 9.744 -38.582 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.985 10.380 -39.660 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.662 7.775 -39.417 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.048 9.020 -41.375 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.519 5.575 -40.550 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.096 6.818 -42.508 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.641 5.097 -42.098 1.00 0.00 H new ATOM 533 N GLY A 35 1.745 11.835 -42.088 1.00 0.00 N ATOM 534 CA GLY A 35 1.332 12.077 -43.465 1.00 0.00 C ATOM 535 C GLY A 35 2.527 12.490 -44.317 1.00 0.00 C ATOM 536 O GLY A 35 2.662 12.072 -45.466 1.00 0.00 O ATOM 0 H GLY A 35 1.287 12.427 -41.395 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.878 11.176 -43.878 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.572 12.858 -43.491 1.00 0.00 H new ATOM 540 N ALA A 36 3.391 13.317 -43.737 1.00 0.00 N ATOM 541 CA ALA A 36 4.577 13.791 -44.442 1.00 0.00 C ATOM 542 C ALA A 36 5.444 12.616 -44.881 1.00 0.00 C ATOM 543 O ALA A 36 5.939 12.586 -46.008 1.00 0.00 O ATOM 544 CB ALA A 36 5.389 14.717 -43.535 1.00 0.00 C ATOM 0 H ALA A 36 3.293 13.671 -42.786 1.00 0.00 H new ATOM 0 HA ALA A 36 4.256 14.341 -45.327 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.273 15.066 -44.069 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.777 15.572 -43.247 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.696 14.173 -42.642 1.00 0.00 H new ATOM 550 N ILE A 37 5.621 11.648 -43.989 1.00 0.00 N ATOM 551 CA ILE A 37 6.427 10.473 -44.303 1.00 0.00 C ATOM 552 C ILE A 37 5.717 9.596 -45.330 1.00 0.00 C ATOM 553 O ILE A 37 6.337 9.107 -46.274 1.00 0.00 O ATOM 554 CB ILE A 37 6.703 9.665 -43.034 1.00 0.00 C ATOM 555 CG1 ILE A 37 7.679 10.434 -42.140 1.00 0.00 C ATOM 556 CG2 ILE A 37 7.316 8.316 -43.412 1.00 0.00 C ATOM 557 CD1 ILE A 37 7.734 9.777 -40.760 1.00 0.00 C ATOM 0 H ILE A 37 5.221 11.652 -43.051 1.00 0.00 H new ATOM 0 HA ILE A 37 7.374 10.810 -44.724 1.00 0.00 H new ATOM 0 HB ILE A 37 5.768 9.503 -42.497 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.672 10.442 -42.590 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.362 11.473 -42.047 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.513 7.740 -42.508 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.622 7.767 -44.049 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.250 8.479 -43.949 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.429 10.325 -40.124 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.741 9.792 -40.310 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.071 8.745 -40.861 1.00 0.00 H new ATOM 569 N LEU A 38 4.416 9.401 -45.143 1.00 0.00 N ATOM 570 CA LEU A 38 3.641 8.579 -46.066 1.00 0.00 C ATOM 571 C LEU A 38 3.764 9.124 -47.485 1.00 0.00 C ATOM 572 O LEU A 38 3.997 8.376 -48.433 1.00 0.00 O ATOM 573 CB LEU A 38 2.168 8.571 -45.642 1.00 0.00 C ATOM 574 CG LEU A 38 1.346 7.716 -46.612 1.00 0.00 C ATOM 575 CD1 LEU A 38 1.817 6.262 -46.546 1.00 0.00 C ATOM 576 CD2 LEU A 38 -0.132 7.788 -46.221 1.00 0.00 C ATOM 0 H LEU A 38 3.881 9.796 -44.370 1.00 0.00 H new ATOM 0 HA LEU A 38 4.029 7.561 -46.042 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.075 8.178 -44.630 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.781 9.590 -45.625 1.00 0.00 H new ATOM 0 HG LEU A 38 1.478 8.092 -47.627 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.230 5.658 -47.237 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.870 6.208 -46.821 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.687 5.883 -45.532 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.720 7.181 -46.909 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.259 7.412 -45.206 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.471 8.823 -46.269 1.00 0.00 H new ATOM 588 N SER A 39 3.597 10.436 -47.617 1.00 0.00 N ATOM 589 CA SER A 39 3.681 11.086 -48.920 1.00 0.00 C ATOM 590 C SER A 39 4.930 10.634 -49.673 1.00 0.00 C ATOM 591 O SER A 39 4.933 10.564 -50.902 1.00 0.00 O ATOM 592 CB SER A 39 3.716 12.603 -48.743 1.00 0.00 C ATOM 593 OG SER A 39 2.507 13.031 -48.128 1.00 0.00 O ATOM 0 H SER A 39 3.403 11.068 -46.840 1.00 0.00 H new ATOM 0 HA SER A 39 2.802 10.804 -49.499 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.571 12.890 -48.130 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.839 13.091 -49.710 1.00 0.00 H new ATOM 0 HG SER A 39 2.511 12.772 -47.183 1.00 0.00 H new ATOM 599 N SER A 40 5.989 10.333 -48.928 1.00 0.00 N ATOM 600 CA SER A 40 7.240 9.894 -49.538 1.00 0.00 C ATOM 601 C SER A 40 7.305 8.371 -49.608 1.00 0.00 C ATOM 602 O SER A 40 8.375 7.780 -49.458 1.00 0.00 O ATOM 603 CB SER A 40 8.426 10.420 -48.730 1.00 0.00 C ATOM 604 OG SER A 40 8.442 11.840 -48.790 1.00 0.00 O ATOM 0 H SER A 40 6.007 10.384 -47.909 1.00 0.00 H new ATOM 0 HA SER A 40 7.284 10.291 -50.552 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.351 10.089 -47.694 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.358 10.017 -49.126 1.00 0.00 H new ATOM 0 HG SER A 40 9.200 12.181 -48.271 1.00 0.00 H new ATOM 610 N THR A 41 6.157 7.741 -49.836 1.00 0.00 N ATOM 611 CA THR A 41 6.102 6.286 -49.925 1.00 0.00 C ATOM 612 C THR A 41 6.263 5.829 -51.371 1.00 0.00 C ATOM 613 O THR A 41 5.663 4.839 -51.791 1.00 0.00 O ATOM 614 CB THR A 41 4.769 5.774 -49.369 1.00 0.00 C ATOM 615 OG1 THR A 41 4.788 4.354 -49.334 1.00 0.00 O ATOM 616 CG2 THR A 41 3.618 6.247 -50.262 1.00 0.00 C ATOM 0 H THR A 41 5.260 8.210 -49.962 1.00 0.00 H new ATOM 0 HA THR A 41 6.921 5.876 -49.334 1.00 0.00 H new ATOM 0 HB THR A 41 4.625 6.164 -48.361 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.902 4.006 -50.243 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.673 5.880 -49.862 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.602 7.337 -50.289 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.759 5.861 -51.272 1.00 0.00 H new ATOM 624 N ASN A 42 7.078 6.555 -52.130 1.00 0.00 N ATOM 625 CA ASN A 42 7.310 6.214 -53.529 1.00 0.00 C ATOM 626 C ASN A 42 8.505 5.273 -53.666 1.00 0.00 C ATOM 627 O ASN A 42 9.121 5.190 -54.729 1.00 0.00 O ATOM 628 CB ASN A 42 7.564 7.485 -54.341 1.00 0.00 C ATOM 629 CG ASN A 42 8.889 8.115 -53.924 1.00 0.00 C ATOM 630 OD1 ASN A 42 9.471 7.727 -52.911 1.00 0.00 O ATOM 631 ND2 ASN A 42 9.404 9.070 -54.650 1.00 0.00 N ATOM 0 H ASN A 42 7.585 7.377 -51.803 1.00 0.00 H new ATOM 0 HA ASN A 42 6.422 5.709 -53.910 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.583 7.249 -55.405 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.750 8.194 -54.186 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.290 9.496 -54.378 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.920 9.390 -55.489 1.00 0.00 H new ATOM 638 N VAL A 43 8.828 4.565 -52.587 1.00 0.00 N ATOM 639 CA VAL A 43 9.951 3.634 -52.604 1.00 0.00 C ATOM 640 C VAL A 43 9.496 2.243 -53.047 1.00 0.00 C ATOM 641 O VAL A 43 10.175 1.248 -52.794 1.00 0.00 O ATOM 642 CB VAL A 43 10.579 3.560 -51.208 1.00 0.00 C ATOM 643 CG1 VAL A 43 9.719 2.677 -50.297 1.00 0.00 C ATOM 644 CG2 VAL A 43 11.992 2.973 -51.308 1.00 0.00 C ATOM 0 H VAL A 43 8.332 4.618 -51.697 1.00 0.00 H new ATOM 0 HA VAL A 43 10.692 3.994 -53.317 1.00 0.00 H new ATOM 0 HB VAL A 43 10.633 4.564 -50.787 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.170 2.628 -49.306 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.718 3.101 -50.219 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.656 1.673 -50.717 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.436 2.922 -50.314 1.00 0.00 H new ATOM 0 HG22 VAL A 43 11.940 1.971 -51.735 1.00 0.00 H new ATOM 0 HG23 VAL A 43 12.606 3.608 -51.947 1.00 0.00 H new ATOM 654 N GLY A 44 8.345 2.177 -53.713 1.00 0.00 N ATOM 655 CA GLY A 44 7.821 0.900 -54.183 1.00 0.00 C ATOM 656 C GLY A 44 6.673 0.409 -53.300 1.00 0.00 C ATOM 657 O GLY A 44 5.950 -0.516 -53.672 1.00 0.00 O ATOM 0 H GLY A 44 7.764 2.985 -53.937 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.473 1.004 -55.211 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.619 0.158 -54.190 1.00 0.00 H new ATOM 661 N SER A 45 6.509 1.027 -52.133 1.00 0.00 N ATOM 662 CA SER A 45 5.444 0.634 -51.217 1.00 0.00 C ATOM 663 C SER A 45 4.183 1.457 -51.471 1.00 0.00 C ATOM 664 O SER A 45 3.351 1.624 -50.580 1.00 0.00 O ATOM 665 CB SER A 45 5.900 0.831 -49.772 1.00 0.00 C ATOM 666 OG SER A 45 6.179 2.208 -49.551 1.00 0.00 O ATOM 0 H SER A 45 7.094 1.794 -51.802 1.00 0.00 H new ATOM 0 HA SER A 45 5.216 -0.418 -51.387 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.126 0.490 -49.085 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.789 0.232 -49.574 1.00 0.00 H new ATOM 0 HG SER A 45 5.381 2.650 -49.193 1.00 0.00 H new ATOM 672 N ASN A 46 4.049 1.970 -52.691 1.00 0.00 N ATOM 673 CA ASN A 46 2.886 2.774 -53.048 1.00 0.00 C ATOM 674 C ASN A 46 1.849 1.924 -53.775 1.00 0.00 C ATOM 675 O ASN A 46 1.059 2.435 -54.569 1.00 0.00 O ATOM 676 CB ASN A 46 3.311 3.939 -53.944 1.00 0.00 C ATOM 677 CG ASN A 46 3.800 3.412 -55.288 1.00 0.00 C ATOM 678 OD1 ASN A 46 4.013 2.209 -55.444 1.00 0.00 O ATOM 679 ND2 ASN A 46 3.993 4.244 -56.275 1.00 0.00 N ATOM 0 H ASN A 46 4.726 1.844 -53.443 1.00 0.00 H new ATOM 0 HA ASN A 46 2.443 3.163 -52.131 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.472 4.618 -54.094 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.102 4.512 -53.459 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.321 3.898 -57.177 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.816 5.240 -56.144 1.00 0.00 H new ATOM 686 N THR A 47 1.858 0.623 -53.500 1.00 0.00 N ATOM 687 CA THR A 47 0.914 -0.290 -54.135 1.00 0.00 C ATOM 688 C THR A 47 -0.347 -0.438 -53.288 1.00 0.00 C ATOM 689 O THR A 47 -1.048 -1.447 -53.373 1.00 0.00 O ATOM 690 CB THR A 47 1.567 -1.661 -54.330 1.00 0.00 C ATOM 691 OG1 THR A 47 2.898 -1.623 -53.835 1.00 0.00 O ATOM 692 CG2 THR A 47 1.584 -2.013 -55.818 1.00 0.00 C ATOM 0 H THR A 47 2.504 0.180 -52.846 1.00 0.00 H new ATOM 0 HA THR A 47 0.636 0.122 -55.105 1.00 0.00 H new ATOM 0 HB THR A 47 0.998 -2.416 -53.787 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.888 -1.733 -52.861 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.049 -2.989 -55.956 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.562 -2.041 -56.197 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.153 -1.260 -56.364 1.00 0.00 H new ATOM 700 N TYR A 48 -0.634 0.574 -52.475 1.00 0.00 N ATOM 701 CA TYR A 48 -1.816 0.543 -51.620 1.00 0.00 C ATOM 702 C TYR A 48 -2.790 1.655 -52.004 1.00 0.00 C ATOM 703 O TYR A 48 -3.618 2.073 -51.196 1.00 0.00 O ATOM 704 CB TYR A 48 -1.403 0.703 -50.154 1.00 0.00 C ATOM 705 CG TYR A 48 -0.916 2.112 -49.911 1.00 0.00 C ATOM 706 CD1 TYR A 48 -1.761 3.051 -49.306 1.00 0.00 C ATOM 707 CD2 TYR A 48 0.380 2.481 -50.291 1.00 0.00 C ATOM 708 CE1 TYR A 48 -1.310 4.357 -49.081 1.00 0.00 C ATOM 709 CE2 TYR A 48 0.831 3.787 -50.066 1.00 0.00 C ATOM 710 CZ TYR A 48 -0.014 4.725 -49.461 1.00 0.00 C ATOM 711 OH TYR A 48 0.430 6.012 -49.238 1.00 0.00 O ATOM 0 H TYR A 48 -0.070 1.419 -52.390 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.313 -0.418 -51.755 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.249 0.483 -49.502 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.617 -0.011 -49.908 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.761 2.767 -49.013 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.032 1.758 -50.758 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.962 5.081 -48.614 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.831 4.071 -50.359 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.334 6.592 -49.038 1.00 0.00 H new ATOM 721 N GLY A 49 -2.687 2.128 -53.243 1.00 0.00 N ATOM 722 CA GLY A 49 -3.566 3.190 -53.719 1.00 0.00 C ATOM 723 C GLY A 49 -5.028 2.765 -53.651 1.00 0.00 C ATOM 724 O GLY A 49 -5.341 1.574 -53.670 1.00 0.00 O ATOM 0 H GLY A 49 -2.010 1.796 -53.930 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.417 4.087 -53.118 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.307 3.448 -54.746 1.00 0.00 H new ATOM 728 N LYS A 50 -5.920 3.747 -53.572 1.00 0.00 N ATOM 729 CA LYS A 50 -7.349 3.469 -53.501 1.00 0.00 C ATOM 730 C LYS A 50 -7.817 2.738 -54.755 1.00 0.00 C ATOM 731 O LYS A 50 -8.688 1.871 -54.691 1.00 0.00 O ATOM 732 CB LYS A 50 -8.129 4.776 -53.348 1.00 0.00 C ATOM 733 CG LYS A 50 -7.881 5.357 -51.954 1.00 0.00 C ATOM 734 CD LYS A 50 -8.806 6.555 -51.726 1.00 0.00 C ATOM 735 CE LYS A 50 -8.355 7.726 -52.602 1.00 0.00 C ATOM 736 NZ LYS A 50 -6.955 8.097 -52.253 1.00 0.00 N ATOM 0 H LYS A 50 -5.680 4.738 -53.556 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.533 2.833 -52.635 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.818 5.489 -54.112 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.194 4.596 -53.495 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.061 4.596 -51.194 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.840 5.665 -51.857 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.834 6.284 -51.965 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.789 6.846 -50.676 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.418 7.452 -53.655 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.016 8.580 -52.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.788 9.093 -52.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.805 7.964 -51.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.294 7.493 -52.782 1.00 0.00 H new ATOM 750 N ARG A 51 -7.234 3.096 -55.895 1.00 0.00 N ATOM 751 CA ARG A 51 -7.601 2.468 -57.160 1.00 0.00 C ATOM 752 C ARG A 51 -7.357 0.959 -57.118 1.00 0.00 C ATOM 753 O ARG A 51 -7.851 0.221 -57.969 1.00 0.00 O ATOM 754 CB ARG A 51 -6.794 3.086 -58.305 1.00 0.00 C ATOM 755 CG ARG A 51 -5.332 2.644 -58.203 1.00 0.00 C ATOM 756 CD ARG A 51 -4.498 3.400 -59.239 1.00 0.00 C ATOM 757 NE ARG A 51 -3.112 2.945 -59.201 1.00 0.00 N ATOM 758 CZ ARG A 51 -2.253 3.382 -58.278 1.00 0.00 C ATOM 759 NH1 ARG A 51 -2.630 4.239 -57.362 1.00 0.00 N ATOM 760 NH2 ARG A 51 -1.022 2.949 -58.287 1.00 0.00 N ATOM 0 H ARG A 51 -6.511 3.812 -55.969 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.664 2.641 -57.326 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.211 2.778 -59.264 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.859 4.173 -58.263 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.951 2.839 -57.201 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.253 1.570 -58.370 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.913 3.243 -60.235 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.542 4.471 -59.041 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.791 2.274 -59.899 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.591 4.581 -57.348 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.963 4.564 -56.663 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.722 2.281 -58.997 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.360 3.279 -57.584 1.00 0.00 H new ATOM 774 N ASN A 52 -6.596 0.502 -56.125 1.00 0.00 N ATOM 775 CA ASN A 52 -6.307 -0.921 -55.995 1.00 0.00 C ATOM 776 C ASN A 52 -7.480 -1.649 -55.347 1.00 0.00 C ATOM 777 O ASN A 52 -7.747 -2.811 -55.655 1.00 0.00 O ATOM 778 CB ASN A 52 -5.048 -1.126 -55.151 1.00 0.00 C ATOM 779 CG ASN A 52 -4.762 -2.615 -54.999 1.00 0.00 C ATOM 780 OD1 ASN A 52 -4.327 -3.265 -55.950 1.00 0.00 O ATOM 781 ND2 ASN A 52 -4.986 -3.199 -53.854 1.00 0.00 N ATOM 0 H ASN A 52 -6.173 1.091 -55.407 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.145 -1.331 -56.992 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.199 -0.630 -55.622 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.179 -0.670 -54.170 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.801 -4.196 -53.745 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.346 -2.658 -53.068 1.00 0.00 H new ATOM 788 N ALA A 53 -8.177 -0.963 -54.447 1.00 0.00 N ATOM 789 CA ALA A 53 -9.318 -1.559 -53.760 1.00 0.00 C ATOM 790 C ALA A 53 -10.369 -2.028 -54.762 1.00 0.00 C ATOM 791 O ALA A 53 -10.869 -3.148 -54.670 1.00 0.00 O ATOM 792 CB ALA A 53 -9.944 -0.536 -52.811 1.00 0.00 C ATOM 0 H ALA A 53 -7.974 -0.000 -54.177 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.964 -2.420 -53.193 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.795 -0.986 -52.301 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.204 -0.222 -52.075 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.279 0.331 -53.380 1.00 0.00 H new ATOM 798 N VAL A 54 -10.697 -1.167 -55.718 1.00 0.00 N ATOM 799 CA VAL A 54 -11.690 -1.510 -56.731 1.00 0.00 C ATOM 800 C VAL A 54 -11.146 -2.574 -57.680 1.00 0.00 C ATOM 801 O VAL A 54 -11.901 -3.394 -58.201 1.00 0.00 O ATOM 802 CB VAL A 54 -12.093 -0.263 -57.522 1.00 0.00 C ATOM 803 CG1 VAL A 54 -10.886 0.274 -58.292 1.00 0.00 C ATOM 804 CG2 VAL A 54 -13.205 -0.626 -58.509 1.00 0.00 C ATOM 0 H VAL A 54 -10.295 -0.235 -55.814 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.569 -1.910 -56.226 1.00 0.00 H new ATOM 0 HB VAL A 54 -12.449 0.502 -56.832 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.178 1.162 -58.853 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.093 0.533 -57.591 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.526 -0.489 -58.982 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -13.494 0.260 -59.074 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.846 -1.393 -59.196 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.068 -1.005 -57.962 1.00 0.00 H new ATOM 814 N GLU A 55 -9.836 -2.560 -57.900 1.00 0.00 N ATOM 815 CA GLU A 55 -9.214 -3.536 -58.787 1.00 0.00 C ATOM 816 C GLU A 55 -9.360 -4.947 -58.222 1.00 0.00 C ATOM 817 O GLU A 55 -9.728 -5.876 -58.940 1.00 0.00 O ATOM 818 CB GLU A 55 -7.731 -3.204 -58.966 1.00 0.00 C ATOM 819 CG GLU A 55 -7.147 -4.055 -60.097 1.00 0.00 C ATOM 820 CD GLU A 55 -6.769 -5.439 -59.577 1.00 0.00 C ATOM 821 OE1 GLU A 55 -6.410 -5.539 -58.415 1.00 0.00 O ATOM 822 OE2 GLU A 55 -6.844 -6.380 -60.350 1.00 0.00 O ATOM 0 H GLU A 55 -9.190 -1.891 -57.481 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.716 -3.494 -59.754 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.610 -2.145 -59.194 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.191 -3.394 -58.038 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.874 -4.148 -60.904 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.268 -3.563 -60.515 1.00 0.00 H new ATOM 829 N VAL A 56 -9.066 -5.101 -56.935 1.00 0.00 N ATOM 830 CA VAL A 56 -9.166 -6.408 -56.292 1.00 0.00 C ATOM 831 C VAL A 56 -10.622 -6.764 -56.002 1.00 0.00 C ATOM 832 O VAL A 56 -10.997 -7.936 -56.026 1.00 0.00 O ATOM 833 CB VAL A 56 -8.359 -6.419 -54.991 1.00 0.00 C ATOM 834 CG1 VAL A 56 -8.979 -5.445 -53.987 1.00 0.00 C ATOM 835 CG2 VAL A 56 -8.369 -7.831 -54.400 1.00 0.00 C ATOM 0 H VAL A 56 -8.760 -4.346 -56.321 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.758 -7.154 -56.974 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.334 -6.115 -55.201 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.400 -5.457 -53.063 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.973 -4.439 -54.405 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.006 -5.744 -53.776 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.795 -7.842 -53.473 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.396 -8.132 -54.194 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.923 -8.526 -55.111 1.00 0.00 H new ATOM 845 N LEU A 57 -11.440 -5.752 -55.727 1.00 0.00 N ATOM 846 CA LEU A 57 -12.852 -5.984 -55.435 1.00 0.00 C ATOM 847 C LEU A 57 -13.521 -6.759 -56.565 1.00 0.00 C ATOM 848 O LEU A 57 -14.218 -7.743 -56.320 1.00 0.00 O ATOM 849 CB LEU A 57 -13.576 -4.651 -55.235 1.00 0.00 C ATOM 850 CG LEU A 57 -14.022 -4.527 -53.777 1.00 0.00 C ATOM 851 CD1 LEU A 57 -12.818 -4.184 -52.898 1.00 0.00 C ATOM 852 CD2 LEU A 57 -15.072 -3.419 -53.658 1.00 0.00 C ATOM 0 H LEU A 57 -11.154 -4.773 -55.700 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.914 -6.573 -54.520 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -12.916 -3.824 -55.496 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -14.440 -4.591 -55.897 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.451 -5.474 -53.449 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.139 -4.096 -51.860 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.070 -4.973 -52.981 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.386 -3.238 -53.225 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -15.391 -3.330 -52.619 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.642 -2.473 -53.988 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.932 -3.664 -54.281 1.00 0.00 H new ATOM 864 N LYS A 58 -13.312 -6.315 -57.800 1.00 0.00 N ATOM 865 CA LYS A 58 -13.913 -6.992 -58.943 1.00 0.00 C ATOM 866 C LYS A 58 -13.332 -8.394 -59.093 1.00 0.00 C ATOM 867 O LYS A 58 -14.045 -9.342 -59.422 1.00 0.00 O ATOM 868 CB LYS A 58 -13.669 -6.190 -60.224 1.00 0.00 C ATOM 869 CG LYS A 58 -14.514 -4.914 -60.202 1.00 0.00 C ATOM 870 CD LYS A 58 -15.979 -5.265 -60.473 1.00 0.00 C ATOM 871 CE LYS A 58 -16.772 -3.982 -60.733 1.00 0.00 C ATOM 872 NZ LYS A 58 -16.861 -3.189 -59.475 1.00 0.00 N ATOM 0 H LYS A 58 -12.741 -5.503 -58.033 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.987 -7.070 -58.773 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.612 -5.937 -60.310 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.925 -6.792 -61.096 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.421 -4.420 -59.235 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.152 -4.213 -60.954 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.051 -5.930 -61.333 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.400 -5.799 -59.621 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.287 -3.394 -61.512 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.771 -4.226 -61.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.497 -2.379 -59.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.233 -3.790 -58.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.915 -2.844 -59.214 1.00 0.00 H new ATOM 886 N ARG A 59 -12.032 -8.516 -58.845 1.00 0.00 N ATOM 887 CA ARG A 59 -11.357 -9.805 -58.949 1.00 0.00 C ATOM 888 C ARG A 59 -11.908 -10.788 -57.919 1.00 0.00 C ATOM 889 O ARG A 59 -11.803 -12.002 -58.089 1.00 0.00 O ATOM 890 CB ARG A 59 -9.854 -9.623 -58.731 1.00 0.00 C ATOM 891 CG ARG A 59 -9.103 -10.823 -59.312 1.00 0.00 C ATOM 892 CD ARG A 59 -8.664 -11.749 -58.176 1.00 0.00 C ATOM 893 NE ARG A 59 -7.926 -12.889 -58.710 1.00 0.00 N ATOM 894 CZ ARG A 59 -7.361 -13.797 -57.911 1.00 0.00 C ATOM 895 NH1 ARG A 59 -7.452 -13.693 -56.609 1.00 0.00 N ATOM 896 NH2 ARG A 59 -6.711 -14.801 -58.433 1.00 0.00 N ATOM 0 H ARG A 59 -11.427 -7.742 -58.572 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.535 -10.208 -59.946 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.516 -8.703 -59.208 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.639 -9.527 -57.667 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.743 -11.363 -60.009 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.234 -10.484 -59.875 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.039 -11.200 -57.471 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.537 -12.098 -57.624 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.840 -12.995 -59.721 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.959 -12.911 -56.194 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.016 -14.394 -56.010 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.637 -14.889 -59.446 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.277 -15.498 -57.828 1.00 0.00 H new ATOM 910 N GLU A 60 -12.491 -10.255 -56.848 1.00 0.00 N ATOM 911 CA GLU A 60 -13.050 -11.096 -55.795 1.00 0.00 C ATOM 912 C GLU A 60 -14.578 -11.058 -55.826 1.00 0.00 C ATOM 913 O GLU A 60 -15.200 -10.338 -55.046 1.00 0.00 O ATOM 914 CB GLU A 60 -12.561 -10.609 -54.430 1.00 0.00 C ATOM 915 CG GLU A 60 -11.060 -10.872 -54.299 1.00 0.00 C ATOM 916 CD GLU A 60 -10.796 -12.374 -54.272 1.00 0.00 C ATOM 917 OE1 GLU A 60 -11.719 -13.112 -53.969 1.00 0.00 O ATOM 918 OE2 GLU A 60 -9.674 -12.763 -54.553 1.00 0.00 O ATOM 0 H GLU A 60 -12.588 -9.252 -56.688 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.719 -12.121 -55.963 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.765 -9.544 -54.318 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.101 -11.122 -53.635 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.528 -10.415 -55.134 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.679 -10.411 -53.388 1.00 0.00 H new ATOM 925 N PRO A 61 -15.192 -11.813 -56.704 1.00 0.00 N ATOM 926 CA PRO A 61 -16.681 -11.857 -56.822 1.00 0.00 C ATOM 927 C PRO A 61 -17.350 -12.458 -55.585 1.00 0.00 C ATOM 928 O PRO A 61 -18.576 -12.454 -55.472 1.00 0.00 O ATOM 929 CB PRO A 61 -16.932 -12.727 -58.057 1.00 0.00 C ATOM 930 CG PRO A 61 -15.693 -13.539 -58.235 1.00 0.00 C ATOM 931 CD PRO A 61 -14.542 -12.705 -57.679 1.00 0.00 C ATOM 0 HA PRO A 61 -17.105 -10.857 -56.909 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -17.803 -13.367 -57.915 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -17.128 -12.113 -58.936 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -15.773 -14.489 -57.707 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -15.530 -13.772 -59.287 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.786 -13.332 -57.206 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -14.041 -12.140 -58.465 1.00 0.00 H new ATOM 939 N LEU A 62 -16.546 -12.971 -54.657 1.00 0.00 N ATOM 940 CA LEU A 62 -17.088 -13.562 -53.440 1.00 0.00 C ATOM 941 C LEU A 62 -17.949 -12.546 -52.696 1.00 0.00 C ATOM 942 O LEU A 62 -19.020 -12.880 -52.190 1.00 0.00 O ATOM 943 CB LEU A 62 -15.949 -14.034 -52.533 1.00 0.00 C ATOM 944 CG LEU A 62 -16.521 -14.878 -51.394 1.00 0.00 C ATOM 945 CD1 LEU A 62 -15.582 -16.050 -51.105 1.00 0.00 C ATOM 946 CD2 LEU A 62 -16.659 -14.014 -50.139 1.00 0.00 C ATOM 0 H LEU A 62 -15.528 -12.989 -54.724 1.00 0.00 H new ATOM 0 HA LEU A 62 -17.706 -14.417 -53.715 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.231 -14.619 -53.108 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.412 -13.176 -52.130 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.500 -15.260 -51.682 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -15.990 -16.652 -50.293 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.483 -16.666 -51.999 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.602 -15.669 -50.817 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -17.067 -14.615 -49.326 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.680 -13.631 -49.851 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.329 -13.179 -50.344 1.00 0.00 H new ATOM 958 N ASN A 63 -17.478 -11.304 -52.638 1.00 0.00 N ATOM 959 CA ASN A 63 -18.221 -10.250 -51.957 1.00 0.00 C ATOM 960 C ASN A 63 -19.475 -9.875 -52.747 1.00 0.00 C ATOM 961 O ASN A 63 -20.407 -9.283 -52.202 1.00 0.00 O ATOM 962 CB ASN A 63 -17.336 -9.015 -51.781 1.00 0.00 C ATOM 963 CG ASN A 63 -17.099 -8.344 -53.130 1.00 0.00 C ATOM 964 OD1 ASN A 63 -17.146 -9.002 -54.169 1.00 0.00 O ATOM 965 ND2 ASN A 63 -16.845 -7.065 -53.176 1.00 0.00 N ATOM 0 H ASN A 63 -16.594 -11.005 -53.050 1.00 0.00 H new ATOM 0 HA ASN A 63 -18.523 -10.622 -50.978 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -17.810 -8.313 -51.095 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -16.383 -9.301 -51.336 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.685 -6.609 -54.074 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.806 -6.521 -52.314 1.00 0.00 H new ATOM 972 N TYR A 64 -19.495 -10.225 -54.032 1.00 0.00 N ATOM 973 CA TYR A 64 -20.641 -9.921 -54.881 1.00 0.00 C ATOM 974 C TYR A 64 -21.807 -10.850 -54.562 1.00 0.00 C ATOM 975 O TYR A 64 -22.965 -10.430 -54.563 1.00 0.00 O ATOM 976 CB TYR A 64 -20.255 -10.077 -56.354 1.00 0.00 C ATOM 977 CG TYR A 64 -21.365 -9.539 -57.224 1.00 0.00 C ATOM 978 CD1 TYR A 64 -21.475 -8.161 -57.445 1.00 0.00 C ATOM 979 CD2 TYR A 64 -22.285 -10.417 -57.809 1.00 0.00 C ATOM 980 CE1 TYR A 64 -22.505 -7.661 -58.252 1.00 0.00 C ATOM 981 CE2 TYR A 64 -23.315 -9.918 -58.615 1.00 0.00 C ATOM 982 CZ TYR A 64 -23.425 -8.540 -58.837 1.00 0.00 C ATOM 983 OH TYR A 64 -24.440 -8.048 -59.632 1.00 0.00 O ATOM 0 H TYR A 64 -18.735 -10.716 -54.504 1.00 0.00 H new ATOM 0 HA TYR A 64 -20.947 -8.892 -54.690 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -19.327 -9.542 -56.557 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -20.074 -11.127 -56.584 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -20.766 -7.483 -56.993 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -22.200 -11.480 -57.638 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -22.590 -6.598 -58.423 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -24.025 -10.596 -59.066 1.00 0.00 H new ATOM 0 HH TYR A 64 -24.988 -8.791 -59.960 1.00 0.00 H new ATOM 993 N LEU A 65 -21.497 -12.113 -54.290 1.00 0.00 N ATOM 994 CA LEU A 65 -22.532 -13.091 -53.972 1.00 0.00 C ATOM 995 C LEU A 65 -23.115 -12.818 -52.584 1.00 0.00 C ATOM 996 O LEU A 65 -22.480 -12.160 -51.760 1.00 0.00 O ATOM 997 CB LEU A 65 -21.942 -14.502 -54.016 1.00 0.00 C ATOM 998 CG LEU A 65 -21.496 -14.829 -55.442 1.00 0.00 C ATOM 999 CD1 LEU A 65 -20.680 -16.123 -55.437 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -22.727 -15.007 -56.336 1.00 0.00 C ATOM 0 H LEU A 65 -20.546 -12.482 -54.283 1.00 0.00 H new ATOM 0 HA LEU A 65 -23.330 -13.009 -54.710 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -21.095 -14.574 -53.334 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.683 -15.227 -53.681 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.883 -14.013 -55.826 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -20.362 -16.356 -56.453 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.803 -15.998 -54.802 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -21.293 -16.938 -55.052 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -22.408 -15.240 -57.352 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -23.341 -15.822 -55.952 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -23.309 -14.086 -56.341 1.00 0.00 H new ATOM 1012 N PRO A 66 -24.300 -13.306 -52.308 1.00 0.00 N ATOM 1013 CA PRO A 66 -24.962 -13.100 -50.985 1.00 0.00 C ATOM 1014 C PRO A 66 -24.073 -13.540 -49.824 1.00 0.00 C ATOM 1015 O PRO A 66 -23.369 -14.545 -49.915 1.00 0.00 O ATOM 1016 CB PRO A 66 -26.222 -13.968 -51.060 1.00 0.00 C ATOM 1017 CG PRO A 66 -26.495 -14.149 -52.515 1.00 0.00 C ATOM 1018 CD PRO A 66 -25.141 -14.103 -53.219 1.00 0.00 C ATOM 0 HA PRO A 66 -25.177 -12.048 -50.800 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -26.067 -14.928 -50.567 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -27.062 -13.485 -50.560 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -26.997 -15.099 -52.700 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -27.153 -13.363 -52.887 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -24.733 -15.103 -53.368 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -25.217 -13.639 -54.203 1.00 0.00 H new ATOM 1026 N LEU A 67 -24.112 -12.779 -48.735 1.00 0.00 N ATOM 1027 CA LEU A 67 -23.307 -13.100 -47.562 1.00 0.00 C ATOM 1028 C LEU A 67 -23.846 -12.381 -46.329 1.00 0.00 C ATOM 1029 O LEU A 67 -24.945 -11.856 -46.407 1.00 0.00 O ATOM 1030 CB LEU A 67 -21.852 -12.690 -47.798 1.00 0.00 C ATOM 1031 CG LEU A 67 -20.985 -13.943 -47.935 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -19.611 -13.555 -48.484 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -20.817 -14.599 -46.563 1.00 0.00 C ATOM 0 H LEU A 67 -24.688 -11.942 -48.640 1.00 0.00 H new ATOM 0 HA LEU A 67 -23.358 -14.176 -47.393 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -21.776 -12.082 -48.699 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.497 -12.078 -46.969 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.465 -14.644 -48.618 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -18.993 -14.448 -48.582 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.729 -13.086 -49.461 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -19.131 -12.854 -47.801 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -20.199 -15.492 -46.660 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.337 -13.898 -45.881 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -21.795 -14.875 -46.170 1.00 0.00 H new TER 1045 LEU A 67