USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 457 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 22 THR OG1 : rot 87:sc= 1.18 USER MOD Set 1.2: A 32 SER OG : rot -79:sc= 1.36 USER MOD Set 2.1: A 12 SER OG : rot 170:sc= 0.701 USER MOD Set 2.2: A 15 GLN : amide:sc= -0.741 K(o=-0.04,f=0.59) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.21) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 56:sc= 1.26 USER MOD Single : A 25 THR OG1 : rot -53:sc= 1.23 USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0582) USER MOD Single : A 27 CYS SG : rot 150:sc= 0.268 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= 0.13 (180deg=-0.135) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.55) USER MOD Single : A 39 ASN : amide:sc= 1.13 K(o=1.1,f=-0.82) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0.143 K(o=0.14,f=-0.56) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.21! K(o=-1.2!,f=0.23) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0049 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= 1.26 (180deg=1.11) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0453 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0166 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 21.401 -8.264 -7.670 1.00 0.00 N ATOM 2 CA ILE A 6 21.847 -8.141 -6.285 1.00 0.00 C ATOM 3 C ILE A 6 21.338 -6.855 -5.653 1.00 0.00 C ATOM 4 O ILE A 6 20.791 -5.986 -6.332 1.00 0.00 O ATOM 5 CB ILE A 6 23.376 -8.210 -6.196 1.00 0.00 C ATOM 6 CG1 ILE A 6 24.011 -7.051 -6.980 1.00 0.00 C ATOM 7 CG2 ILE A 6 23.882 -9.563 -6.703 1.00 0.00 C ATOM 8 CD1 ILE A 6 25.532 -7.038 -6.835 1.00 0.00 C ATOM 0 HA ILE A 6 21.429 -8.980 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 6 23.671 -8.112 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 6 23.747 -7.136 -8.034 1.00 0.00 H new ATOM 0 HG13 ILE A 6 23.603 -6.105 -6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 6 24.969 -9.594 -6.633 1.00 0.00 H new ATOM 0 HG22 ILE A 6 23.456 -10.362 -6.096 1.00 0.00 H new ATOM 0 HG23 ILE A 6 23.582 -9.698 -7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 6 25.945 -6.204 -7.403 1.00 0.00 H new ATOM 0 HD12 ILE A 6 25.796 -6.926 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 6 25.942 -7.974 -7.215 1.00 0.00 H new ATOM 19 N LYS A 7 21.526 -6.733 -4.337 1.00 0.00 N ATOM 20 CA LYS A 7 21.099 -5.568 -3.582 1.00 0.00 C ATOM 21 C LYS A 7 22.138 -4.460 -3.721 1.00 0.00 C ATOM 22 O LYS A 7 23.167 -4.473 -3.044 1.00 0.00 O ATOM 23 CB LYS A 7 20.883 -5.956 -2.116 1.00 0.00 C ATOM 24 CG LYS A 7 19.974 -7.181 -1.969 1.00 0.00 C ATOM 25 CD LYS A 7 18.607 -6.951 -2.612 1.00 0.00 C ATOM 26 CE LYS A 7 17.722 -8.171 -2.373 1.00 0.00 C ATOM 27 NZ LYS A 7 16.409 -8.010 -3.020 1.00 0.00 N ATOM 0 H LYS A 7 21.982 -7.447 -3.769 1.00 0.00 H new ATOM 0 HA LYS A 7 20.153 -5.195 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 7 21.847 -6.163 -1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 7 20.445 -5.114 -1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 7 20.452 -8.046 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.844 -7.413 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.140 -6.061 -2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.721 -6.775 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.215 -9.063 -2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.587 -8.322 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.880 -8.903 -2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.875 -7.257 -2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.543 -7.756 -4.019 1.00 0.00 H new ATOM 41 N ARG A 8 21.859 -3.501 -4.610 1.00 0.00 N ATOM 42 CA ARG A 8 22.714 -2.336 -4.823 1.00 0.00 C ATOM 43 C ARG A 8 22.809 -1.500 -3.549 1.00 0.00 C ATOM 44 O ARG A 8 21.965 -1.607 -2.662 1.00 0.00 O ATOM 45 CB ARG A 8 22.165 -1.474 -5.967 1.00 0.00 C ATOM 46 CG ARG A 8 22.545 -2.004 -7.356 1.00 0.00 C ATOM 47 CD ARG A 8 21.962 -3.385 -7.644 1.00 0.00 C ATOM 48 NE ARG A 8 22.197 -3.762 -9.043 1.00 0.00 N ATOM 49 CZ ARG A 8 21.519 -4.718 -9.682 1.00 0.00 C ATOM 50 NH1 ARG A 8 20.584 -5.425 -9.052 1.00 0.00 N ATOM 51 NH2 ARG A 8 21.773 -4.977 -10.961 1.00 0.00 N ATOM 0 H ARG A 8 21.029 -3.514 -5.203 1.00 0.00 H new ATOM 0 HA ARG A 8 23.711 -2.689 -5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 8 21.079 -1.425 -5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 8 22.539 -0.456 -5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 8 22.197 -1.303 -8.115 1.00 0.00 H new ATOM 0 HG3 ARG A 8 23.631 -2.049 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 8 22.415 -4.123 -6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 8 20.892 -3.385 -7.436 1.00 0.00 H new ATOM 0 HE ARG A 8 22.922 -3.263 -9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 8 20.379 -5.239 -8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 8 20.072 -6.153 -9.551 1.00 0.00 H new ATOM 0 HH21 ARG A 8 22.488 -4.445 -11.457 1.00 0.00 H new ATOM 0 HH22 ARG A 8 21.253 -5.708 -11.446 1.00 0.00 H new ATOM 65 N LYS A 9 23.846 -0.659 -3.466 1.00 0.00 N ATOM 66 CA LYS A 9 24.078 0.214 -2.318 1.00 0.00 C ATOM 67 C LYS A 9 23.170 1.441 -2.327 1.00 0.00 C ATOM 68 O LYS A 9 23.396 2.386 -1.571 1.00 0.00 O ATOM 69 CB LYS A 9 25.569 0.566 -2.204 1.00 0.00 C ATOM 70 CG LYS A 9 26.198 1.127 -3.485 1.00 0.00 C ATOM 71 CD LYS A 9 25.593 2.466 -3.911 1.00 0.00 C ATOM 72 CE LYS A 9 26.394 3.026 -5.086 1.00 0.00 C ATOM 73 NZ LYS A 9 25.866 4.335 -5.516 1.00 0.00 N ATOM 0 H LYS A 9 24.549 -0.567 -4.199 1.00 0.00 H new ATOM 0 HA LYS A 9 23.805 -0.333 -1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.695 1.296 -1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.117 -0.329 -1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.270 1.251 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.072 0.405 -4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.550 2.333 -4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 9 25.608 3.168 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.441 3.129 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.359 2.325 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.429 4.691 -6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 24.874 4.229 -5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 25.922 5.009 -4.726 1.00 0.00 H new ATOM 87 N ASP A 10 22.145 1.427 -3.180 1.00 0.00 N ATOM 88 CA ASP A 10 21.168 2.499 -3.277 1.00 0.00 C ATOM 89 C ASP A 10 19.745 1.928 -3.236 1.00 0.00 C ATOM 90 O ASP A 10 18.788 2.586 -3.638 1.00 0.00 O ATOM 91 CB ASP A 10 21.441 3.322 -4.540 1.00 0.00 C ATOM 92 CG ASP A 10 20.598 4.594 -4.599 1.00 0.00 C ATOM 93 OD1 ASP A 10 20.575 5.326 -3.583 1.00 0.00 O ATOM 94 OD2 ASP A 10 19.978 4.825 -5.662 1.00 0.00 O ATOM 0 H ASP A 10 21.973 0.659 -3.829 1.00 0.00 H new ATOM 0 HA ASP A 10 21.259 3.169 -2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 10 22.498 3.588 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 10 21.235 2.712 -5.420 1.00 0.00 H new ATOM 99 N ALA A 11 19.613 0.691 -2.751 1.00 0.00 N ATOM 100 CA ALA A 11 18.339 -0.002 -2.640 1.00 0.00 C ATOM 101 C ALA A 11 18.205 -0.657 -1.267 1.00 0.00 C ATOM 102 O ALA A 11 19.186 -0.815 -0.542 1.00 0.00 O ATOM 103 CB ALA A 11 18.233 -1.047 -3.753 1.00 0.00 C ATOM 0 H ALA A 11 20.404 0.139 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 11 17.526 0.716 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.279 -1.568 -3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.296 -0.553 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.048 -1.765 -3.657 1.00 0.00 H new ATOM 109 N SER A 12 16.975 -1.040 -0.914 1.00 0.00 N ATOM 110 CA SER A 12 16.675 -1.694 0.352 1.00 0.00 C ATOM 111 C SER A 12 15.463 -2.604 0.170 1.00 0.00 C ATOM 112 O SER A 12 14.783 -2.515 -0.851 1.00 0.00 O ATOM 113 CB SER A 12 16.427 -0.625 1.422 1.00 0.00 C ATOM 114 OG SER A 12 15.048 -0.373 1.588 1.00 0.00 O ATOM 0 H SER A 12 16.157 -0.902 -1.507 1.00 0.00 H new ATOM 0 HA SER A 12 17.514 -2.310 0.677 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.856 -0.950 2.370 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.936 0.297 1.142 1.00 0.00 H new ATOM 0 HG SER A 12 14.911 0.188 2.380 1.00 0.00 H new ATOM 120 N PRO A 13 15.168 -3.480 1.136 1.00 0.00 N ATOM 121 CA PRO A 13 14.067 -4.422 1.034 1.00 0.00 C ATOM 122 C PRO A 13 12.744 -3.684 1.139 1.00 0.00 C ATOM 123 O PRO A 13 11.732 -4.106 0.585 1.00 0.00 O ATOM 124 CB PRO A 13 14.239 -5.329 2.252 1.00 0.00 C ATOM 125 CG PRO A 13 14.852 -4.375 3.281 1.00 0.00 C ATOM 126 CD PRO A 13 15.842 -3.604 2.410 1.00 0.00 C ATOM 0 HA PRO A 13 14.068 -4.967 0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.288 -5.739 2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.893 -6.175 2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.106 -3.722 3.734 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.346 -4.907 4.094 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.072 -2.627 2.836 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.787 -4.139 2.311 1.00 0.00 H new ATOM 134 N GLU A 14 12.771 -2.565 1.857 1.00 0.00 N ATOM 135 CA GLU A 14 11.620 -1.707 2.008 1.00 0.00 C ATOM 136 C GLU A 14 11.432 -0.926 0.715 1.00 0.00 C ATOM 137 O GLU A 14 10.306 -0.652 0.318 1.00 0.00 O ATOM 138 CB GLU A 14 11.856 -0.771 3.195 1.00 0.00 C ATOM 139 CG GLU A 14 11.882 -1.529 4.521 1.00 0.00 C ATOM 140 CD GLU A 14 12.172 -0.596 5.695 1.00 0.00 C ATOM 141 OE1 GLU A 14 11.541 0.484 5.760 1.00 0.00 O ATOM 142 OE2 GLU A 14 13.028 -0.970 6.528 1.00 0.00 O ATOM 0 H GLU A 14 13.601 -2.234 2.350 1.00 0.00 H new ATOM 0 HA GLU A 14 10.717 -2.286 2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.800 -0.244 3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.071 -0.016 3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.924 -2.024 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.641 -2.310 4.480 1.00 0.00 H new ATOM 149 N GLN A 15 12.534 -0.567 0.047 1.00 0.00 N ATOM 150 CA GLN A 15 12.494 0.201 -1.185 1.00 0.00 C ATOM 151 C GLN A 15 11.898 -0.620 -2.315 1.00 0.00 C ATOM 152 O GLN A 15 11.287 -0.079 -3.234 1.00 0.00 O ATOM 153 CB GLN A 15 13.920 0.635 -1.534 1.00 0.00 C ATOM 154 CG GLN A 15 13.968 2.153 -1.644 1.00 0.00 C ATOM 155 CD GLN A 15 13.402 2.773 -0.373 1.00 0.00 C ATOM 156 OE1 GLN A 15 12.658 3.749 -0.412 1.00 0.00 O ATOM 157 NE2 GLN A 15 13.758 2.195 0.769 1.00 0.00 N ATOM 0 H GLN A 15 13.477 -0.806 0.353 1.00 0.00 H new ATOM 0 HA GLN A 15 11.862 1.078 -1.047 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.615 0.292 -0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 15 14.232 0.180 -2.474 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.995 2.485 -1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.394 2.484 -2.509 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.378 1.385 0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.411 2.561 1.656 1.00 0.00 H new ATOM 166 N GLU A 16 12.081 -1.934 -2.239 1.00 0.00 N ATOM 167 CA GLU A 16 11.574 -2.831 -3.268 1.00 0.00 C ATOM 168 C GLU A 16 10.063 -3.007 -3.152 1.00 0.00 C ATOM 169 O GLU A 16 9.427 -3.525 -4.069 1.00 0.00 O ATOM 170 CB GLU A 16 12.291 -4.178 -3.184 1.00 0.00 C ATOM 171 CG GLU A 16 13.737 -4.015 -3.636 1.00 0.00 C ATOM 172 CD GLU A 16 14.476 -5.349 -3.623 1.00 0.00 C ATOM 173 OE1 GLU A 16 14.906 -5.762 -2.522 1.00 0.00 O ATOM 174 OE2 GLU A 16 14.605 -5.950 -4.711 1.00 0.00 O ATOM 0 H GLU A 16 12.575 -2.399 -1.478 1.00 0.00 H new ATOM 0 HA GLU A 16 11.775 -2.388 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.259 -4.556 -2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.784 -4.911 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.761 -3.594 -4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.247 -3.308 -2.982 1.00 0.00 H new ATOM 181 N ALA A 17 9.489 -2.577 -2.027 1.00 0.00 N ATOM 182 CA ALA A 17 8.048 -2.591 -1.821 1.00 0.00 C ATOM 183 C ALA A 17 7.467 -1.174 -1.801 1.00 0.00 C ATOM 184 O ALA A 17 6.292 -0.987 -2.116 1.00 0.00 O ATOM 185 CB ALA A 17 7.744 -3.334 -0.520 1.00 0.00 C ATOM 0 H ALA A 17 10.015 -2.209 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 17 7.573 -3.109 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.667 -3.351 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.117 -4.356 -0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.231 -2.825 0.312 1.00 0.00 H new ATOM 191 N ILE A 18 8.277 -0.174 -1.442 1.00 0.00 N ATOM 192 CA ILE A 18 7.837 1.213 -1.355 1.00 0.00 C ATOM 193 C ILE A 18 7.767 1.849 -2.739 1.00 0.00 C ATOM 194 O ILE A 18 6.898 2.689 -2.975 1.00 0.00 O ATOM 195 CB ILE A 18 8.796 1.974 -0.423 1.00 0.00 C ATOM 196 CG1 ILE A 18 8.490 1.589 1.030 1.00 0.00 C ATOM 197 CG2 ILE A 18 8.673 3.490 -0.605 1.00 0.00 C ATOM 198 CD1 ILE A 18 9.608 2.022 1.980 1.00 0.00 C ATOM 0 H ILE A 18 9.260 -0.309 -1.203 1.00 0.00 H new ATOM 0 HA ILE A 18 6.830 1.259 -0.941 1.00 0.00 H new ATOM 0 HB ILE A 18 9.820 1.697 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.552 2.050 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 18 8.352 0.510 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.365 3.995 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.913 3.753 -1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.653 3.802 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.353 1.731 2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.541 1.540 1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.728 3.104 1.931 1.00 0.00 H new ATOM 210 N GLU A 19 8.652 1.473 -3.664 1.00 0.00 N ATOM 211 CA GLU A 19 8.629 2.087 -4.984 1.00 0.00 C ATOM 212 C GLU A 19 7.379 1.667 -5.751 1.00 0.00 C ATOM 213 O GLU A 19 6.831 2.464 -6.510 1.00 0.00 O ATOM 214 CB GLU A 19 9.896 1.721 -5.759 1.00 0.00 C ATOM 215 CG GLU A 19 11.099 2.493 -5.209 1.00 0.00 C ATOM 216 CD GLU A 19 12.365 2.175 -6.001 1.00 0.00 C ATOM 217 OE1 GLU A 19 12.460 2.656 -7.152 1.00 0.00 O ATOM 218 OE2 GLU A 19 13.229 1.452 -5.454 1.00 0.00 O ATOM 0 H GLU A 19 9.374 0.765 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 19 8.600 3.170 -4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.079 0.649 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.762 1.949 -6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.899 3.564 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.249 2.239 -4.160 1.00 0.00 H new ATOM 225 N SER A 20 6.913 0.428 -5.563 1.00 0.00 N ATOM 226 CA SER A 20 5.730 -0.076 -6.237 1.00 0.00 C ATOM 227 C SER A 20 4.454 0.429 -5.571 1.00 0.00 C ATOM 228 O SER A 20 3.402 0.469 -6.202 1.00 0.00 O ATOM 229 CB SER A 20 5.777 -1.598 -6.194 1.00 0.00 C ATOM 230 OG SER A 20 6.908 -2.064 -6.901 1.00 0.00 O ATOM 0 H SER A 20 7.351 -0.248 -4.937 1.00 0.00 H new ATOM 0 HA SER A 20 5.720 0.280 -7.267 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.817 -1.940 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.868 -2.011 -6.631 1.00 0.00 H new ATOM 0 HG SER A 20 6.934 -3.043 -6.868 1.00 0.00 H new ATOM 236 N PHE A 21 4.537 0.816 -4.296 1.00 0.00 N ATOM 237 CA PHE A 21 3.400 1.364 -3.574 1.00 0.00 C ATOM 238 C PHE A 21 3.129 2.779 -4.068 1.00 0.00 C ATOM 239 O PHE A 21 1.989 3.146 -4.344 1.00 0.00 O ATOM 240 CB PHE A 21 3.744 1.372 -2.086 1.00 0.00 C ATOM 241 CG PHE A 21 2.594 1.680 -1.150 1.00 0.00 C ATOM 242 CD1 PHE A 21 1.988 2.945 -1.161 1.00 0.00 C ATOM 243 CD2 PHE A 21 2.123 0.699 -0.262 1.00 0.00 C ATOM 244 CE1 PHE A 21 0.911 3.224 -0.307 1.00 0.00 C ATOM 245 CE2 PHE A 21 1.044 0.978 0.589 1.00 0.00 C ATOM 246 CZ PHE A 21 0.438 2.238 0.565 1.00 0.00 C ATOM 0 H PHE A 21 5.392 0.757 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 21 2.506 0.763 -3.739 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.154 0.397 -1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.532 2.106 -1.918 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.353 3.709 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.593 -0.273 -0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.447 4.199 -0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.680 0.218 1.265 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.395 2.450 1.219 1.00 0.00 H new ATOM 256 N THR A 22 4.199 3.570 -4.176 1.00 0.00 N ATOM 257 CA THR A 22 4.141 4.944 -4.657 1.00 0.00 C ATOM 258 C THR A 22 3.945 4.985 -6.171 1.00 0.00 C ATOM 259 O THR A 22 3.772 6.056 -6.747 1.00 0.00 O ATOM 260 CB THR A 22 5.442 5.672 -4.314 1.00 0.00 C ATOM 261 OG1 THR A 22 5.987 5.211 -3.096 1.00 0.00 O ATOM 262 CG2 THR A 22 5.204 7.171 -4.144 1.00 0.00 C ATOM 0 H THR A 22 5.140 3.266 -3.927 1.00 0.00 H new ATOM 0 HA THR A 22 3.296 5.433 -4.172 1.00 0.00 H new ATOM 0 HB THR A 22 6.125 5.475 -5.140 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.552 4.428 -3.266 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.145 7.664 -3.901 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.808 7.584 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.489 7.337 -3.338 1.00 0.00 H new ATOM 270 N SER A 23 3.972 3.819 -6.824 1.00 0.00 N ATOM 271 CA SER A 23 3.709 3.738 -8.251 1.00 0.00 C ATOM 272 C SER A 23 2.228 3.496 -8.517 1.00 0.00 C ATOM 273 O SER A 23 1.748 3.743 -9.623 1.00 0.00 O ATOM 274 CB SER A 23 4.504 2.598 -8.867 1.00 0.00 C ATOM 275 OG SER A 23 5.884 2.882 -8.864 1.00 0.00 O ATOM 0 H SER A 23 4.174 2.923 -6.381 1.00 0.00 H new ATOM 0 HA SER A 23 4.007 4.686 -8.698 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.318 1.679 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.167 2.426 -9.889 1.00 0.00 H new ATOM 0 HG SER A 23 6.174 3.086 -7.950 1.00 0.00 H new ATOM 281 N LEU A 24 1.508 3.015 -7.502 1.00 0.00 N ATOM 282 CA LEU A 24 0.100 2.678 -7.607 1.00 0.00 C ATOM 283 C LEU A 24 -0.753 3.638 -6.780 1.00 0.00 C ATOM 284 O LEU A 24 -1.968 3.702 -6.965 1.00 0.00 O ATOM 285 CB LEU A 24 -0.090 1.241 -7.135 1.00 0.00 C ATOM 286 CG LEU A 24 0.541 0.225 -8.095 1.00 0.00 C ATOM 287 CD1 LEU A 24 0.433 -1.172 -7.490 1.00 0.00 C ATOM 288 CD2 LEU A 24 -0.162 0.227 -9.449 1.00 0.00 C ATOM 0 H LEU A 24 1.898 2.849 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.222 2.770 -8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.351 1.125 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.155 1.031 -7.036 1.00 0.00 H new ATOM 0 HG LEU A 24 1.584 0.503 -8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.880 -1.898 -8.169 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.958 -1.197 -6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.617 -1.420 -7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.310 -0.504 -10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.212 -0.031 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.087 1.218 -9.897 1.00 0.00 H new ATOM 300 N THR A 25 -0.111 4.379 -5.877 1.00 0.00 N ATOM 301 CA THR A 25 -0.738 5.457 -5.132 1.00 0.00 C ATOM 302 C THR A 25 0.136 6.695 -5.294 1.00 0.00 C ATOM 303 O THR A 25 1.309 6.574 -5.639 1.00 0.00 O ATOM 304 CB THR A 25 -0.915 5.094 -3.655 1.00 0.00 C ATOM 305 OG1 THR A 25 0.345 4.945 -3.046 1.00 0.00 O ATOM 306 CG2 THR A 25 -1.717 3.808 -3.485 1.00 0.00 C ATOM 0 H THR A 25 0.872 4.241 -5.643 1.00 0.00 H new ATOM 0 HA THR A 25 -1.739 5.645 -5.521 1.00 0.00 H new ATOM 0 HB THR A 25 -1.466 5.904 -3.177 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.884 4.308 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.822 3.582 -2.424 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.705 3.934 -3.929 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.198 2.987 -3.981 1.00 0.00 H new ATOM 314 N LYS A 26 -0.415 7.884 -5.047 1.00 0.00 N ATOM 315 CA LYS A 26 0.294 9.136 -5.293 1.00 0.00 C ATOM 316 C LYS A 26 0.646 9.854 -3.995 1.00 0.00 C ATOM 317 O LYS A 26 0.811 11.071 -3.982 1.00 0.00 O ATOM 318 CB LYS A 26 -0.488 10.002 -6.283 1.00 0.00 C ATOM 319 CG LYS A 26 -0.702 9.277 -7.621 1.00 0.00 C ATOM 320 CD LYS A 26 0.612 8.866 -8.301 1.00 0.00 C ATOM 321 CE LYS A 26 1.518 10.068 -8.576 1.00 0.00 C ATOM 322 NZ LYS A 26 0.898 11.011 -9.525 1.00 0.00 N ATOM 0 H LYS A 26 -1.357 8.004 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 26 1.253 8.912 -5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.454 10.266 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.049 10.934 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.310 8.388 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.264 9.926 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.139 8.152 -7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.391 8.357 -9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.734 10.583 -7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.471 9.722 -8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.579 11.759 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.622 10.503 -10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.055 11.437 -9.090 1.00 0.00 H new ATOM 336 N CYS A 27 0.760 9.099 -2.901 1.00 0.00 N ATOM 337 CA CYS A 27 1.184 9.633 -1.618 1.00 0.00 C ATOM 338 C CYS A 27 2.710 9.707 -1.578 1.00 0.00 C ATOM 339 O CYS A 27 3.381 9.481 -2.585 1.00 0.00 O ATOM 340 CB CYS A 27 0.631 8.745 -0.503 1.00 0.00 C ATOM 341 SG CYS A 27 0.692 9.619 1.084 1.00 0.00 S ATOM 0 H CYS A 27 0.559 8.099 -2.886 1.00 0.00 H new ATOM 0 HA CYS A 27 0.797 10.642 -1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.396 8.461 -0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.210 7.824 -0.441 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.279 9.207 1.844 1.00 0.00 H new ATOM 347 N ASP A 28 3.267 10.028 -0.411 1.00 0.00 N ATOM 348 CA ASP A 28 4.698 10.107 -0.217 1.00 0.00 C ATOM 349 C ASP A 28 5.263 8.723 0.108 1.00 0.00 C ATOM 350 O ASP A 28 4.561 7.899 0.692 1.00 0.00 O ATOM 351 CB ASP A 28 4.971 11.084 0.924 1.00 0.00 C ATOM 352 CG ASP A 28 4.563 12.508 0.556 1.00 0.00 C ATOM 353 OD1 ASP A 28 5.275 13.115 -0.274 1.00 0.00 O ATOM 354 OD2 ASP A 28 3.540 12.979 1.105 1.00 0.00 O ATOM 0 H ASP A 28 2.726 10.241 0.427 1.00 0.00 H new ATOM 0 HA ASP A 28 5.184 10.459 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.426 10.767 1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.031 11.063 1.176 1.00 0.00 H new ATOM 359 N PRO A 29 6.522 8.446 -0.254 1.00 0.00 N ATOM 360 CA PRO A 29 7.166 7.170 0.003 1.00 0.00 C ATOM 361 C PRO A 29 7.220 6.849 1.489 1.00 0.00 C ATOM 362 O PRO A 29 7.262 5.687 1.890 1.00 0.00 O ATOM 363 CB PRO A 29 8.596 7.353 -0.497 1.00 0.00 C ATOM 364 CG PRO A 29 8.456 8.403 -1.595 1.00 0.00 C ATOM 365 CD PRO A 29 7.423 9.333 -0.962 1.00 0.00 C ATOM 0 HA PRO A 29 6.622 6.360 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.260 7.690 0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.009 6.421 -0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.397 8.911 -1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.108 7.976 -2.535 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.893 10.045 -0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.895 9.914 -1.719 1.00 0.00 H new ATOM 373 N LYS A 30 7.217 7.901 2.308 1.00 0.00 N ATOM 374 CA LYS A 30 7.347 7.777 3.744 1.00 0.00 C ATOM 375 C LYS A 30 6.058 7.243 4.367 1.00 0.00 C ATOM 376 O LYS A 30 6.075 6.774 5.502 1.00 0.00 O ATOM 377 CB LYS A 30 7.704 9.154 4.314 1.00 0.00 C ATOM 378 CG LYS A 30 9.204 9.425 4.296 1.00 0.00 C ATOM 379 CD LYS A 30 9.788 9.450 2.889 1.00 0.00 C ATOM 380 CE LYS A 30 11.239 9.876 3.058 1.00 0.00 C ATOM 381 NZ LYS A 30 11.945 9.944 1.768 1.00 0.00 N ATOM 0 H LYS A 30 7.123 8.864 1.984 1.00 0.00 H new ATOM 0 HA LYS A 30 8.135 7.063 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.192 9.925 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.338 9.225 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.401 10.381 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.713 8.659 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.719 8.469 2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.246 10.148 2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.277 10.851 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.750 9.172 3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.930 10.238 1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.931 9.008 1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.473 10.635 1.150 1.00 0.00 H new ATOM 395 N VAL A 31 4.948 7.310 3.625 1.00 0.00 N ATOM 396 CA VAL A 31 3.665 6.767 4.052 1.00 0.00 C ATOM 397 C VAL A 31 3.543 5.331 3.550 1.00 0.00 C ATOM 398 O VAL A 31 2.822 4.526 4.134 1.00 0.00 O ATOM 399 CB VAL A 31 2.541 7.657 3.508 1.00 0.00 C ATOM 400 CG1 VAL A 31 1.169 7.084 3.847 1.00 0.00 C ATOM 401 CG2 VAL A 31 2.654 9.051 4.121 1.00 0.00 C ATOM 0 H VAL A 31 4.920 7.747 2.704 1.00 0.00 H new ATOM 0 HA VAL A 31 3.590 6.754 5.139 1.00 0.00 H new ATOM 0 HB VAL A 31 2.644 7.705 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.393 7.737 3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.070 6.092 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.062 7.013 4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.855 9.684 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.568 8.980 5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.619 9.486 3.861 1.00 0.00 H new ATOM 411 N SER A 32 4.249 4.991 2.468 1.00 0.00 N ATOM 412 CA SER A 32 4.238 3.632 1.945 1.00 0.00 C ATOM 413 C SER A 32 4.908 2.690 2.942 1.00 0.00 C ATOM 414 O SER A 32 4.505 1.538 3.083 1.00 0.00 O ATOM 415 CB SER A 32 4.988 3.604 0.618 1.00 0.00 C ATOM 416 OG SER A 32 4.459 4.570 -0.268 1.00 0.00 O ATOM 0 H SER A 32 4.833 5.641 1.941 1.00 0.00 H new ATOM 0 HA SER A 32 3.210 3.306 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.047 3.798 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.913 2.612 0.172 1.00 0.00 H new ATOM 0 HG SER A 32 3.635 4.227 -0.672 1.00 0.00 H new ATOM 422 N ARG A 33 5.938 3.186 3.641 1.00 0.00 N ATOM 423 CA ARG A 33 6.650 2.442 4.675 1.00 0.00 C ATOM 424 C ARG A 33 5.735 2.165 5.861 1.00 0.00 C ATOM 425 O ARG A 33 5.902 1.163 6.551 1.00 0.00 O ATOM 426 CB ARG A 33 7.845 3.300 5.108 1.00 0.00 C ATOM 427 CG ARG A 33 8.567 2.753 6.344 1.00 0.00 C ATOM 428 CD ARG A 33 9.752 3.649 6.691 1.00 0.00 C ATOM 429 NE ARG A 33 9.319 5.012 7.026 1.00 0.00 N ATOM 430 CZ ARG A 33 10.156 6.028 7.251 1.00 0.00 C ATOM 431 NH1 ARG A 33 11.472 5.853 7.188 1.00 0.00 N ATOM 432 NH2 ARG A 33 9.675 7.232 7.540 1.00 0.00 N ATOM 0 H ARG A 33 6.301 4.129 3.498 1.00 0.00 H new ATOM 0 HA ARG A 33 6.986 1.478 4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.553 3.368 4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.500 4.313 5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.878 2.704 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.912 1.736 6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.297 3.222 7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.443 3.683 5.848 1.00 0.00 H new ATOM 0 HE ARG A 33 8.317 5.194 7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.854 4.934 6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.100 6.638 7.362 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.667 7.380 7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.314 8.009 7.712 1.00 0.00 H new ATOM 446 N LYS A 34 4.773 3.057 6.089 1.00 0.00 N ATOM 447 CA LYS A 34 3.851 2.982 7.209 1.00 0.00 C ATOM 448 C LYS A 34 2.702 2.023 6.915 1.00 0.00 C ATOM 449 O LYS A 34 2.217 1.356 7.826 1.00 0.00 O ATOM 450 CB LYS A 34 3.345 4.405 7.450 1.00 0.00 C ATOM 451 CG LYS A 34 2.196 4.508 8.453 1.00 0.00 C ATOM 452 CD LYS A 34 1.644 5.930 8.355 1.00 0.00 C ATOM 453 CE LYS A 34 0.446 6.152 9.274 1.00 0.00 C ATOM 454 NZ LYS A 34 -0.637 5.184 9.013 1.00 0.00 N ATOM 0 H LYS A 34 4.614 3.865 5.487 1.00 0.00 H new ATOM 0 HA LYS A 34 4.347 2.592 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.175 5.017 7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.020 4.827 6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.420 3.777 8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.546 4.299 9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.430 6.641 8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.351 6.133 7.325 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.765 6.068 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.067 7.165 9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.505 5.497 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.809 5.123 7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.361 4.248 9.374 1.00 0.00 H new ATOM 468 N TYR A 35 2.264 1.946 5.655 1.00 0.00 N ATOM 469 CA TYR A 35 1.171 1.063 5.270 1.00 0.00 C ATOM 470 C TYR A 35 1.665 -0.323 4.864 1.00 0.00 C ATOM 471 O TYR A 35 0.856 -1.201 4.598 1.00 0.00 O ATOM 472 CB TYR A 35 0.312 1.720 4.188 1.00 0.00 C ATOM 473 CG TYR A 35 -0.723 2.656 4.771 1.00 0.00 C ATOM 474 CD1 TYR A 35 -1.984 2.150 5.119 1.00 0.00 C ATOM 475 CD2 TYR A 35 -0.427 4.012 4.975 1.00 0.00 C ATOM 476 CE1 TYR A 35 -2.950 2.997 5.682 1.00 0.00 C ATOM 477 CE2 TYR A 35 -1.387 4.866 5.537 1.00 0.00 C ATOM 478 CZ TYR A 35 -2.653 4.355 5.897 1.00 0.00 C ATOM 479 OH TYR A 35 -3.589 5.172 6.455 1.00 0.00 O ATOM 0 H TYR A 35 2.655 2.489 4.885 1.00 0.00 H new ATOM 0 HA TYR A 35 0.539 0.906 6.144 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.954 2.273 3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -0.187 0.947 3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.211 1.107 4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.543 4.399 4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.921 2.607 5.950 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.159 5.910 5.694 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.225 6.078 6.536 1.00 0.00 H new ATOM 489 N LEU A 36 2.983 -0.541 4.815 1.00 0.00 N ATOM 490 CA LEU A 36 3.542 -1.875 4.635 1.00 0.00 C ATOM 491 C LEU A 36 3.905 -2.474 5.996 1.00 0.00 C ATOM 492 O LEU A 36 4.155 -3.671 6.102 1.00 0.00 O ATOM 493 CB LEU A 36 4.781 -1.774 3.739 1.00 0.00 C ATOM 494 CG LEU A 36 4.407 -1.589 2.268 1.00 0.00 C ATOM 495 CD1 LEU A 36 5.608 -1.078 1.477 1.00 0.00 C ATOM 496 CD2 LEU A 36 3.984 -2.933 1.678 1.00 0.00 C ATOM 0 H LEU A 36 3.682 0.197 4.898 1.00 0.00 H new ATOM 0 HA LEU A 36 2.809 -2.528 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.398 -0.936 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.384 -2.675 3.850 1.00 0.00 H new ATOM 0 HG LEU A 36 3.591 -0.869 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.328 -0.951 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.932 -0.120 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.424 -1.797 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.717 -2.802 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.809 -3.641 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.123 -3.316 2.226 1.00 0.00 H new ATOM 508 N GLN A 37 3.928 -1.634 7.034 1.00 0.00 N ATOM 509 CA GLN A 37 4.339 -2.014 8.378 1.00 0.00 C ATOM 510 C GLN A 37 3.183 -2.571 9.207 1.00 0.00 C ATOM 511 O GLN A 37 3.368 -2.918 10.371 1.00 0.00 O ATOM 512 CB GLN A 37 5.009 -0.814 9.042 1.00 0.00 C ATOM 513 CG GLN A 37 6.501 -1.103 9.140 1.00 0.00 C ATOM 514 CD GLN A 37 7.341 0.154 9.281 1.00 0.00 C ATOM 515 OE1 GLN A 37 6.851 1.231 9.612 1.00 0.00 O ATOM 516 NE2 GLN A 37 8.637 0.011 9.022 1.00 0.00 N ATOM 0 H GLN A 37 3.656 -0.654 6.957 1.00 0.00 H new ATOM 0 HA GLN A 37 5.057 -2.831 8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.833 0.091 8.460 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.588 -0.642 10.033 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.684 -1.753 9.995 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.819 -1.648 8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.005 -0.901 8.750 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.263 0.813 9.095 1.00 0.00 H new ATOM 525 N ARG A 38 1.990 -2.654 8.608 1.00 0.00 N ATOM 526 CA ARG A 38 0.807 -3.218 9.253 1.00 0.00 C ATOM 527 C ARG A 38 0.308 -4.434 8.472 1.00 0.00 C ATOM 528 O ARG A 38 -0.694 -5.043 8.845 1.00 0.00 O ATOM 529 CB ARG A 38 -0.323 -2.178 9.325 1.00 0.00 C ATOM 530 CG ARG A 38 0.132 -0.718 9.272 1.00 0.00 C ATOM 531 CD ARG A 38 0.997 -0.311 10.469 1.00 0.00 C ATOM 532 NE ARG A 38 0.263 -0.452 11.732 1.00 0.00 N ATOM 533 CZ ARG A 38 0.584 -1.296 12.719 1.00 0.00 C ATOM 534 NH1 ARG A 38 1.630 -2.111 12.621 1.00 0.00 N ATOM 535 NH2 ARG A 38 -0.155 -1.326 13.820 1.00 0.00 N ATOM 0 H ARG A 38 1.821 -2.329 7.656 1.00 0.00 H new ATOM 0 HA ARG A 38 1.088 -3.516 10.263 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.013 -2.357 8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.881 -2.335 10.248 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.694 -0.553 8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.745 -0.072 9.230 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.895 -0.928 10.497 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.324 0.722 10.349 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.556 0.140 11.868 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.207 -2.101 11.780 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.855 -2.746 13.387 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.962 -0.708 13.910 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.083 -1.967 14.577 1.00 0.00 H new ATOM 549 N ASN A 39 1.008 -4.780 7.385 1.00 0.00 N ATOM 550 CA ASN A 39 0.524 -5.732 6.401 1.00 0.00 C ATOM 551 C ASN A 39 1.617 -6.692 5.928 1.00 0.00 C ATOM 552 O ASN A 39 1.603 -7.134 4.780 1.00 0.00 O ATOM 553 CB ASN A 39 -0.076 -4.925 5.249 1.00 0.00 C ATOM 554 CG ASN A 39 -1.177 -4.004 5.760 1.00 0.00 C ATOM 555 OD1 ASN A 39 -2.298 -4.433 6.019 1.00 0.00 O ATOM 556 ND2 ASN A 39 -0.850 -2.724 5.908 1.00 0.00 N ATOM 0 H ASN A 39 1.930 -4.401 7.170 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.235 -6.375 6.847 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.703 -4.336 4.765 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.480 -5.601 4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.542 -2.057 6.248 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.093 -2.409 5.681 1.00 0.00 H new ATOM 563 N HIS A 40 2.565 -7.016 6.812 1.00 0.00 N ATOM 564 CA HIS A 40 3.629 -7.977 6.536 1.00 0.00 C ATOM 565 C HIS A 40 4.436 -7.624 5.287 1.00 0.00 C ATOM 566 O HIS A 40 4.990 -8.505 4.634 1.00 0.00 O ATOM 567 CB HIS A 40 3.049 -9.392 6.480 1.00 0.00 C ATOM 568 CG HIS A 40 2.001 -9.622 7.540 1.00 0.00 C ATOM 569 ND1 HIS A 40 2.187 -9.479 8.917 1.00 0.00 N ATOM 570 CD2 HIS A 40 0.708 -9.988 7.296 1.00 0.00 C ATOM 571 CE1 HIS A 40 0.993 -9.753 9.466 1.00 0.00 C ATOM 572 NE2 HIS A 40 0.088 -10.068 8.521 1.00 0.00 N ATOM 0 H HIS A 40 2.613 -6.613 7.748 1.00 0.00 H new ATOM 0 HA HIS A 40 4.345 -7.933 7.357 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.612 -9.565 5.496 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.853 -10.117 6.604 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.261 -10.177 6.331 1.00 0.00 H new ATOM 0 HE1 HIS A 40 0.786 -9.724 10.526 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.886 -10.321 8.685 1.00 0.00 H new ATOM 580 N TRP A 41 4.494 -6.329 4.963 1.00 0.00 N ATOM 581 CA TRP A 41 5.212 -5.816 3.806 1.00 0.00 C ATOM 582 C TRP A 41 4.787 -6.439 2.475 1.00 0.00 C ATOM 583 O TRP A 41 5.565 -6.460 1.521 1.00 0.00 O ATOM 584 CB TRP A 41 6.716 -5.825 4.078 1.00 0.00 C ATOM 585 CG TRP A 41 7.128 -4.782 5.060 1.00 0.00 C ATOM 586 CD1 TRP A 41 7.063 -4.861 6.404 1.00 0.00 C ATOM 587 CD2 TRP A 41 7.659 -3.466 4.770 1.00 0.00 C ATOM 588 NE1 TRP A 41 7.470 -3.664 6.958 1.00 0.00 N ATOM 589 CE2 TRP A 41 7.800 -2.741 5.984 1.00 0.00 C ATOM 590 CE3 TRP A 41 7.986 -2.815 3.573 1.00 0.00 C ATOM 591 CZ2 TRP A 41 8.193 -1.395 5.999 1.00 0.00 C ATOM 592 CZ3 TRP A 41 8.414 -1.479 3.578 1.00 0.00 C ATOM 593 CH2 TRP A 41 8.510 -0.773 4.784 1.00 0.00 C ATOM 0 H TRP A 41 4.034 -5.601 5.510 1.00 0.00 H new ATOM 0 HA TRP A 41 4.923 -4.775 3.666 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.008 -6.806 4.452 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.252 -5.669 3.142 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.742 -5.728 6.962 1.00 0.00 H new ATOM 0 HE1 TRP A 41 7.521 -3.483 7.961 1.00 0.00 H new ATOM 0 HE3 TRP A 41 7.908 -3.347 2.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.250 -0.848 6.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.670 -0.993 2.648 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.831 0.258 4.777 1.00 0.00 H new ATOM 604 N ASN A 42 3.553 -6.949 2.399 1.00 0.00 N ATOM 605 CA ASN A 42 2.971 -7.375 1.142 1.00 0.00 C ATOM 606 C ASN A 42 2.257 -6.194 0.508 1.00 0.00 C ATOM 607 O ASN A 42 1.378 -5.601 1.127 1.00 0.00 O ATOM 608 CB ASN A 42 1.968 -8.509 1.383 1.00 0.00 C ATOM 609 CG ASN A 42 2.636 -9.872 1.456 1.00 0.00 C ATOM 610 OD1 ASN A 42 3.839 -9.990 1.664 1.00 0.00 O ATOM 611 ND2 ASN A 42 1.841 -10.922 1.280 1.00 0.00 N ATOM 0 H ASN A 42 2.942 -7.073 3.206 1.00 0.00 H new ATOM 0 HA ASN A 42 3.758 -7.736 0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.429 -8.322 2.312 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.229 -8.513 0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.227 -11.866 1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.845 -10.785 1.109 1.00 0.00 H new ATOM 618 N ILE A 43 2.616 -5.840 -0.727 1.00 0.00 N ATOM 619 CA ILE A 43 1.927 -4.761 -1.421 1.00 0.00 C ATOM 620 C ILE A 43 0.504 -5.199 -1.765 1.00 0.00 C ATOM 621 O ILE A 43 -0.351 -4.361 -2.044 1.00 0.00 O ATOM 622 CB ILE A 43 2.743 -4.326 -2.651 1.00 0.00 C ATOM 623 CG1 ILE A 43 3.795 -3.300 -2.211 1.00 0.00 C ATOM 624 CG2 ILE A 43 1.868 -3.716 -3.752 1.00 0.00 C ATOM 625 CD1 ILE A 43 3.172 -1.968 -1.829 1.00 0.00 C ATOM 0 H ILE A 43 3.369 -6.279 -1.257 1.00 0.00 H new ATOM 0 HA ILE A 43 1.842 -3.886 -0.777 1.00 0.00 H new ATOM 0 HB ILE A 43 3.214 -5.216 -3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.353 -3.695 -1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.510 -3.146 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.494 -3.427 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.132 -4.450 -4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.354 -2.837 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.955 -1.274 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.637 -1.558 -2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.476 -2.115 -1.003 1.00 0.00 H new ATOM 637 N ASN A 44 0.239 -6.505 -1.749 1.00 0.00 N ATOM 638 CA ASN A 44 -1.083 -7.000 -2.084 1.00 0.00 C ATOM 639 C ASN A 44 -2.004 -6.995 -0.867 1.00 0.00 C ATOM 640 O ASN A 44 -3.198 -7.249 -1.001 1.00 0.00 O ATOM 641 CB ASN A 44 -0.951 -8.400 -2.681 1.00 0.00 C ATOM 642 CG ASN A 44 -0.127 -8.394 -3.962 1.00 0.00 C ATOM 643 OD1 ASN A 44 -0.043 -7.386 -4.656 1.00 0.00 O ATOM 644 ND2 ASN A 44 0.486 -9.527 -4.284 1.00 0.00 N ATOM 0 H ASN A 44 0.918 -7.227 -1.510 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.539 -6.339 -2.821 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.485 -9.063 -1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.943 -8.801 -2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.049 -9.579 -5.133 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.394 -10.346 -3.683 1.00 0.00 H new ATOM 651 N TYR A 45 -1.446 -6.705 0.312 1.00 0.00 N ATOM 652 CA TYR A 45 -2.164 -6.614 1.570 1.00 0.00 C ATOM 653 C TYR A 45 -2.103 -5.184 2.110 1.00 0.00 C ATOM 654 O TYR A 45 -2.911 -4.809 2.954 1.00 0.00 O ATOM 655 CB TYR A 45 -1.482 -7.570 2.554 1.00 0.00 C ATOM 656 CG TYR A 45 -1.602 -9.051 2.266 1.00 0.00 C ATOM 657 CD1 TYR A 45 -2.486 -9.538 1.288 1.00 0.00 C ATOM 658 CD2 TYR A 45 -0.818 -9.948 3.005 1.00 0.00 C ATOM 659 CE1 TYR A 45 -2.578 -10.917 1.050 1.00 0.00 C ATOM 660 CE2 TYR A 45 -0.910 -11.328 2.776 1.00 0.00 C ATOM 661 CZ TYR A 45 -1.794 -11.819 1.795 1.00 0.00 C ATOM 662 OH TYR A 45 -1.891 -13.159 1.568 1.00 0.00 O ATOM 0 H TYR A 45 -0.447 -6.522 0.412 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.212 -6.879 1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.422 -7.317 2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.891 -7.383 3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.095 -8.850 0.720 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.138 -9.573 3.756 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.252 -11.289 0.293 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.304 -12.013 3.350 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.281 -13.637 2.167 1.00 0.00 H new ATOM 672 N ALA A 46 -1.148 -4.387 1.621 1.00 0.00 N ATOM 673 CA ALA A 46 -0.887 -3.049 2.126 1.00 0.00 C ATOM 674 C ALA A 46 -1.632 -1.963 1.360 1.00 0.00 C ATOM 675 O ALA A 46 -1.945 -0.916 1.925 1.00 0.00 O ATOM 676 CB ALA A 46 0.615 -2.823 2.025 1.00 0.00 C ATOM 0 H ALA A 46 -0.532 -4.662 0.856 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.244 -2.983 3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.859 -1.827 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.136 -3.570 2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.927 -2.910 0.984 1.00 0.00 H new ATOM 682 N LEU A 47 -1.924 -2.192 0.075 1.00 0.00 N ATOM 683 CA LEU A 47 -2.645 -1.204 -0.708 1.00 0.00 C ATOM 684 C LEU A 47 -4.104 -1.157 -0.271 1.00 0.00 C ATOM 685 O LEU A 47 -4.724 -0.100 -0.318 1.00 0.00 O ATOM 686 CB LEU A 47 -2.518 -1.536 -2.198 1.00 0.00 C ATOM 687 CG LEU A 47 -1.113 -1.267 -2.743 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.057 -1.721 -4.199 1.00 0.00 C ATOM 689 CD2 LEU A 47 -0.765 0.220 -2.692 1.00 0.00 C ATOM 0 H LEU A 47 -1.673 -3.041 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.214 -0.217 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.770 -2.585 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.241 -0.946 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.399 -1.813 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.061 -1.535 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.278 -2.787 -4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.792 -1.166 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.239 0.372 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.480 0.782 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.806 0.568 -1.660 1.00 0.00 H new ATOM 701 N ASN A 48 -4.660 -2.295 0.160 1.00 0.00 N ATOM 702 CA ASN A 48 -6.043 -2.354 0.622 1.00 0.00 C ATOM 703 C ASN A 48 -6.191 -1.552 1.907 1.00 0.00 C ATOM 704 O ASN A 48 -7.222 -0.932 2.143 1.00 0.00 O ATOM 705 CB ASN A 48 -6.432 -3.809 0.880 1.00 0.00 C ATOM 706 CG ASN A 48 -5.924 -4.702 -0.231 1.00 0.00 C ATOM 707 OD1 ASN A 48 -6.611 -4.979 -1.208 1.00 0.00 O ATOM 708 ND2 ASN A 48 -4.686 -5.150 -0.061 1.00 0.00 N ATOM 0 H ASN A 48 -4.168 -3.188 0.197 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.696 -1.932 -0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.020 -4.137 1.834 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.516 -3.893 0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.262 -5.756 -0.763 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.159 -4.888 0.772 1.00 0.00 H new ATOM 715 N ASP A 49 -5.143 -1.567 2.732 1.00 0.00 N ATOM 716 CA ASP A 49 -5.123 -0.820 3.986 1.00 0.00 C ATOM 717 C ASP A 49 -5.150 0.681 3.708 1.00 0.00 C ATOM 718 O ASP A 49 -5.691 1.456 4.494 1.00 0.00 O ATOM 719 CB ASP A 49 -3.853 -1.213 4.744 1.00 0.00 C ATOM 720 CG ASP A 49 -3.879 -0.812 6.217 1.00 0.00 C ATOM 721 OD1 ASP A 49 -4.992 -0.605 6.750 1.00 0.00 O ATOM 722 OD2 ASP A 49 -2.776 -0.719 6.800 1.00 0.00 O ATOM 0 H ASP A 49 -4.290 -2.095 2.549 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.002 -1.056 4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.714 -2.292 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.993 -0.747 4.263 1.00 0.00 H new ATOM 727 N TYR A 50 -4.567 1.085 2.579 1.00 0.00 N ATOM 728 CA TYR A 50 -4.582 2.469 2.137 1.00 0.00 C ATOM 729 C TYR A 50 -5.911 2.786 1.455 1.00 0.00 C ATOM 730 O TYR A 50 -6.402 3.910 1.527 1.00 0.00 O ATOM 731 CB TYR A 50 -3.409 2.678 1.182 1.00 0.00 C ATOM 732 CG TYR A 50 -3.266 4.100 0.688 1.00 0.00 C ATOM 733 CD1 TYR A 50 -2.515 5.029 1.427 1.00 0.00 C ATOM 734 CD2 TYR A 50 -3.886 4.487 -0.508 1.00 0.00 C ATOM 735 CE1 TYR A 50 -2.391 6.352 0.972 1.00 0.00 C ATOM 736 CE2 TYR A 50 -3.766 5.805 -0.967 1.00 0.00 C ATOM 737 CZ TYR A 50 -3.018 6.744 -0.228 1.00 0.00 C ATOM 738 OH TYR A 50 -2.907 8.029 -0.670 1.00 0.00 O ATOM 0 H TYR A 50 -4.071 0.456 1.948 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.480 3.143 2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.487 2.384 1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.529 2.016 0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.033 4.726 2.345 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.457 3.768 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.816 7.068 1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.247 6.102 -1.887 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.398 8.129 -1.512 1.00 0.00 H new ATOM 748 N TYR A 51 -6.501 1.786 0.796 1.00 0.00 N ATOM 749 CA TYR A 51 -7.801 1.920 0.151 1.00 0.00 C ATOM 750 C TYR A 51 -8.937 1.832 1.171 1.00 0.00 C ATOM 751 O TYR A 51 -10.106 1.953 0.811 1.00 0.00 O ATOM 752 CB TYR A 51 -7.948 0.857 -0.943 1.00 0.00 C ATOM 753 CG TYR A 51 -6.892 0.937 -2.025 1.00 0.00 C ATOM 754 CD1 TYR A 51 -6.400 2.187 -2.430 1.00 0.00 C ATOM 755 CD2 TYR A 51 -6.396 -0.234 -2.620 1.00 0.00 C ATOM 756 CE1 TYR A 51 -5.418 2.273 -3.422 1.00 0.00 C ATOM 757 CE2 TYR A 51 -5.411 -0.156 -3.615 1.00 0.00 C ATOM 758 CZ TYR A 51 -4.921 1.099 -4.025 1.00 0.00 C ATOM 759 OH TYR A 51 -3.970 1.179 -5.000 1.00 0.00 O ATOM 0 H TYR A 51 -6.086 0.860 0.697 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.863 2.905 -0.311 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.909 -0.131 -0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.932 0.956 -1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.782 3.088 -1.973 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.774 -1.197 -2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.040 3.238 -3.726 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.028 -1.059 -4.067 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.739 0.277 -5.306 1.00 0.00 H new ATOM 769 N ASP A 52 -8.603 1.624 2.444 1.00 0.00 N ATOM 770 CA ASP A 52 -9.562 1.600 3.531 1.00 0.00 C ATOM 771 C ASP A 52 -9.503 2.883 4.351 1.00 0.00 C ATOM 772 O ASP A 52 -10.518 3.312 4.897 1.00 0.00 O ATOM 773 CB ASP A 52 -9.206 0.439 4.459 1.00 0.00 C ATOM 774 CG ASP A 52 -9.567 -0.933 3.886 1.00 0.00 C ATOM 775 OD1 ASP A 52 -10.402 -0.983 2.954 1.00 0.00 O ATOM 776 OD2 ASP A 52 -9.003 -1.929 4.392 1.00 0.00 O ATOM 0 H ASP A 52 -7.642 1.466 2.746 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.561 1.494 3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.137 0.466 4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.721 0.574 5.410 1.00 0.00 H new ATOM 781 N LYS A 53 -8.317 3.495 4.438 1.00 0.00 N ATOM 782 CA LYS A 53 -8.083 4.603 5.352 1.00 0.00 C ATOM 783 C LYS A 53 -7.661 5.903 4.669 1.00 0.00 C ATOM 784 O LYS A 53 -7.625 6.944 5.323 1.00 0.00 O ATOM 785 CB LYS A 53 -7.022 4.147 6.351 1.00 0.00 C ATOM 786 CG LYS A 53 -7.529 2.953 7.162 1.00 0.00 C ATOM 787 CD LYS A 53 -6.426 2.522 8.120 1.00 0.00 C ATOM 788 CE LYS A 53 -6.885 1.367 9.008 1.00 0.00 C ATOM 789 NZ LYS A 53 -7.186 0.162 8.215 1.00 0.00 N ATOM 0 H LYS A 53 -7.504 3.235 3.880 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.026 4.846 5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.109 3.874 5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.768 4.968 7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.428 3.224 7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.799 2.131 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.546 2.220 7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.130 3.367 8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.109 1.138 9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.771 1.667 9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.162 -0.675 8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.131 0.253 7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.477 0.056 7.461 1.00 0.00 H new ATOM 803 N GLU A 54 -7.346 5.864 3.371 1.00 0.00 N ATOM 804 CA GLU A 54 -6.885 7.037 2.633 1.00 0.00 C ATOM 805 C GLU A 54 -7.524 7.128 1.246 1.00 0.00 C ATOM 806 O GLU A 54 -7.090 7.926 0.417 1.00 0.00 O ATOM 807 CB GLU A 54 -5.360 6.997 2.487 1.00 0.00 C ATOM 808 CG GLU A 54 -4.621 6.993 3.829 1.00 0.00 C ATOM 809 CD GLU A 54 -4.823 8.284 4.624 1.00 0.00 C ATOM 810 OE1 GLU A 54 -5.187 9.311 4.004 1.00 0.00 O ATOM 811 OE2 GLU A 54 -4.607 8.238 5.857 1.00 0.00 O ATOM 0 H GLU A 54 -7.404 5.017 2.805 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.184 7.918 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.079 6.107 1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.035 7.859 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.965 6.148 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.556 6.845 3.651 1.00 0.00 H new ATOM 818 N ILE A 55 -8.550 6.319 0.977 1.00 0.00 N ATOM 819 CA ILE A 55 -9.175 6.271 -0.336 1.00 0.00 C ATOM 820 C ILE A 55 -9.870 7.594 -0.659 1.00 0.00 C ATOM 821 O ILE A 55 -10.415 8.254 0.225 1.00 0.00 O ATOM 822 CB ILE A 55 -10.124 5.070 -0.400 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.653 4.893 -1.826 1.00 0.00 C ATOM 824 CG2 ILE A 55 -11.266 5.220 0.611 1.00 0.00 C ATOM 825 CD1 ILE A 55 -11.471 3.610 -1.984 1.00 0.00 C ATOM 0 H ILE A 55 -8.965 5.685 1.660 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.413 6.136 -1.104 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.571 4.170 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -11.271 5.751 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.815 4.876 -2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.926 4.355 0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.854 5.287 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.832 6.125 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.825 3.528 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.847 2.749 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.325 3.637 -1.307 1.00 0.00 H new ATOM 837 N GLY A 56 -9.850 7.978 -1.940 1.00 0.00 N ATOM 838 CA GLY A 56 -10.401 9.243 -2.409 1.00 0.00 C ATOM 839 C GLY A 56 -11.894 9.174 -2.730 1.00 0.00 C ATOM 840 O GLY A 56 -12.472 10.174 -3.148 1.00 0.00 O ATOM 0 H GLY A 56 -9.445 7.409 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.235 10.007 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.859 9.558 -3.301 1.00 0.00 H new ATOM 844 N THR A 57 -12.522 8.012 -2.539 1.00 0.00 N ATOM 845 CA THR A 57 -13.923 7.816 -2.884 1.00 0.00 C ATOM 846 C THR A 57 -14.587 6.812 -1.943 1.00 0.00 C ATOM 847 O THR A 57 -13.907 6.063 -1.242 1.00 0.00 O ATOM 848 CB THR A 57 -14.026 7.361 -4.344 1.00 0.00 C ATOM 849 OG1 THR A 57 -15.383 7.291 -4.723 1.00 0.00 O ATOM 850 CG2 THR A 57 -13.388 5.988 -4.561 1.00 0.00 C ATOM 0 H THR A 57 -12.072 7.187 -2.142 1.00 0.00 H new ATOM 0 HA THR A 57 -14.454 8.761 -2.769 1.00 0.00 H new ATOM 0 HB THR A 57 -13.490 8.090 -4.952 1.00 0.00 H new ATOM 0 HG1 THR A 57 -15.447 7.002 -5.657 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.483 5.704 -5.609 1.00 0.00 H new ATOM 0 HG22 THR A 57 -12.333 6.030 -4.291 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.893 5.250 -3.938 1.00 0.00 H new ATOM 858 N PHE A 58 -15.923 6.805 -1.930 1.00 0.00 N ATOM 859 CA PHE A 58 -16.714 5.963 -1.050 1.00 0.00 C ATOM 860 C PHE A 58 -17.697 5.102 -1.841 1.00 0.00 C ATOM 861 O PHE A 58 -18.536 4.413 -1.259 1.00 0.00 O ATOM 862 CB PHE A 58 -17.428 6.860 -0.051 1.00 0.00 C ATOM 863 CG PHE A 58 -16.439 7.618 0.798 1.00 0.00 C ATOM 864 CD1 PHE A 58 -15.906 7.015 1.944 1.00 0.00 C ATOM 865 CD2 PHE A 58 -16.035 8.906 0.424 1.00 0.00 C ATOM 866 CE1 PHE A 58 -14.963 7.703 2.718 1.00 0.00 C ATOM 867 CE2 PHE A 58 -15.102 9.600 1.209 1.00 0.00 C ATOM 868 CZ PHE A 58 -14.566 8.998 2.356 1.00 0.00 C ATOM 0 H PHE A 58 -16.486 7.395 -2.542 1.00 0.00 H new ATOM 0 HA PHE A 58 -16.064 5.270 -0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -18.070 7.562 -0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -18.074 6.257 0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -16.221 6.022 2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.441 9.364 -0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -14.541 7.235 3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -14.797 10.598 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 58 -13.848 9.532 2.961 1.00 0.00 H new ATOM 878 N THR A 59 -17.590 5.143 -3.171 1.00 0.00 N ATOM 879 CA THR A 59 -18.444 4.375 -4.071 1.00 0.00 C ATOM 880 C THR A 59 -17.606 3.495 -4.993 1.00 0.00 C ATOM 881 O THR A 59 -16.415 3.737 -5.184 1.00 0.00 O ATOM 882 CB THR A 59 -19.366 5.315 -4.851 1.00 0.00 C ATOM 883 OG1 THR A 59 -20.245 4.572 -5.666 1.00 0.00 O ATOM 884 CG2 THR A 59 -18.577 6.277 -5.738 1.00 0.00 C ATOM 0 H THR A 59 -16.900 5.717 -3.655 1.00 0.00 H new ATOM 0 HA THR A 59 -19.074 3.708 -3.482 1.00 0.00 H new ATOM 0 HB THR A 59 -19.927 5.894 -4.117 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.831 5.184 -6.158 1.00 0.00 H new ATOM 0 HG21 THR A 59 -19.268 6.927 -6.275 1.00 0.00 H new ATOM 0 HG22 THR A 59 -17.915 6.883 -5.119 1.00 0.00 H new ATOM 0 HG23 THR A 59 -17.984 5.708 -6.454 1.00 0.00 H new ATOM 892 N ASP A 60 -18.236 2.468 -5.568 1.00 0.00 N ATOM 893 CA ASP A 60 -17.587 1.508 -6.452 1.00 0.00 C ATOM 894 C ASP A 60 -18.039 1.673 -7.899 1.00 0.00 C ATOM 895 O ASP A 60 -17.772 0.812 -8.734 1.00 0.00 O ATOM 896 CB ASP A 60 -17.826 0.089 -5.932 1.00 0.00 C ATOM 897 CG ASP A 60 -19.299 -0.309 -5.998 1.00 0.00 C ATOM 898 OD1 ASP A 60 -20.089 0.263 -5.217 1.00 0.00 O ATOM 899 OD2 ASP A 60 -19.624 -1.185 -6.829 1.00 0.00 O ATOM 0 H ASP A 60 -19.229 2.280 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 60 -16.514 1.700 -6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -17.235 -0.615 -6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.478 0.018 -4.901 1.00 0.00 H new ATOM 904 N GLU A 61 -18.728 2.779 -8.205 1.00 0.00 N ATOM 905 CA GLU A 61 -19.187 3.063 -9.554 1.00 0.00 C ATOM 906 C GLU A 61 -18.681 4.426 -10.022 1.00 0.00 C ATOM 907 O GLU A 61 -18.323 5.281 -9.209 1.00 0.00 O ATOM 908 CB GLU A 61 -20.713 2.998 -9.613 1.00 0.00 C ATOM 909 CG GLU A 61 -21.218 1.597 -9.280 1.00 0.00 C ATOM 910 CD GLU A 61 -22.737 1.506 -9.421 1.00 0.00 C ATOM 911 OE1 GLU A 61 -23.429 1.827 -8.432 1.00 0.00 O ATOM 912 OE2 GLU A 61 -23.193 1.116 -10.520 1.00 0.00 O ATOM 0 H GLU A 61 -18.978 3.494 -7.522 1.00 0.00 H new ATOM 0 HA GLU A 61 -18.782 2.308 -10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -21.138 3.717 -8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -21.054 3.283 -10.608 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -20.745 0.871 -9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -20.929 1.336 -8.262 1.00 0.00 H new ATOM 919 N VAL A 62 -18.652 4.622 -11.342 1.00 0.00 N ATOM 920 CA VAL A 62 -18.196 5.859 -11.965 1.00 0.00 C ATOM 921 C VAL A 62 -18.964 6.113 -13.259 1.00 0.00 C ATOM 922 O VAL A 62 -19.286 5.122 -13.954 1.00 0.00 O ATOM 923 CB VAL A 62 -16.680 5.798 -12.193 1.00 0.00 C ATOM 924 CG1 VAL A 62 -16.289 4.667 -13.148 1.00 0.00 C ATOM 925 CG2 VAL A 62 -16.167 7.122 -12.750 1.00 0.00 C ATOM 0 H VAL A 62 -18.949 3.915 -12.014 1.00 0.00 H new ATOM 0 HA VAL A 62 -18.397 6.700 -11.301 1.00 0.00 H new ATOM 0 HB VAL A 62 -16.223 5.603 -11.223 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -15.207 4.661 -13.281 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -16.609 3.712 -12.731 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -16.772 4.822 -14.113 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -15.090 7.059 -12.905 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -16.658 7.332 -13.700 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -16.386 7.923 -12.044 1.00 0.00 H new TER 935 VAL A 62