USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD Set 1.1: A 22 HIS : no HD1:sc= -0.177 X(o=-3.4,f=-3.5) USER MOD Set 1.2: A 69 MET CE :methyl 138:sc= -3.19! (180deg=-2.33) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0677 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -166:sc= -0.939 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 31:sc= 0.0959 USER MOD Single : A 23 LYS NZ :NH3+ 140:sc= 0.0179 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -100:sc= -1.49 USER MOD Single : A 32 TYR OH : rot 12:sc= -2.06 USER MOD Single : A 33 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-2.1) USER MOD Single : A 36 THR OG1 : rot 174:sc= 0.834 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.63 K(o=0.63,f=-3!) USER MOD Single : A 48 MET CE :methyl -164:sc= -0.366 (180deg=-1.22) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.292) USER MOD Single : A 64 CYS SG : rot 24:sc= 0.709 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 158:sc= -0.0249 (180deg=-0.522) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.955 -24.406 -20.334 1.00 0.00 N ATOM 2 CA GLU A 1 2.965 -23.317 -20.337 1.00 0.00 C ATOM 3 C GLU A 1 2.741 -22.353 -19.175 1.00 0.00 C ATOM 4 O GLU A 1 1.627 -22.227 -18.668 1.00 0.00 O ATOM 5 CB GLU A 1 2.873 -22.569 -21.667 1.00 0.00 C ATOM 6 CG GLU A 1 4.224 -22.141 -22.221 1.00 0.00 C ATOM 7 CD GLU A 1 5.098 -23.321 -22.596 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.826 -23.826 -21.714 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.057 -23.741 -23.772 1.00 0.00 O ATOM 0 H1 GLU A 1 2.132 -25.046 -21.135 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.022 -24.939 -19.444 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.003 -23.997 -20.422 1.00 0.00 H new ATOM 0 HA GLU A 1 3.958 -23.751 -20.218 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.375 -23.206 -22.398 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.248 -21.686 -21.535 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.071 -21.513 -23.099 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.741 -21.532 -21.479 1.00 0.00 H new ATOM 18 N SER A 2 3.807 -21.678 -18.757 1.00 0.00 N ATOM 19 CA SER A 2 3.726 -20.727 -17.654 1.00 0.00 C ATOM 20 C SER A 2 3.439 -19.321 -18.170 1.00 0.00 C ATOM 21 O SER A 2 4.350 -18.598 -18.575 1.00 0.00 O ATOM 22 CB SER A 2 5.027 -20.733 -16.851 1.00 0.00 C ATOM 23 OG SER A 2 6.128 -21.101 -17.663 1.00 0.00 O ATOM 0 H SER A 2 4.737 -21.772 -19.165 1.00 0.00 H new ATOM 0 HA SER A 2 2.906 -21.031 -17.004 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.200 -19.744 -16.426 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.939 -21.428 -16.016 1.00 0.00 H new ATOM 0 HG SER A 2 6.947 -21.095 -17.125 1.00 0.00 H new ATOM 29 N LYS A 3 2.167 -18.937 -18.152 1.00 0.00 N ATOM 30 CA LYS A 3 1.759 -17.616 -18.616 1.00 0.00 C ATOM 31 C LYS A 3 0.745 -16.994 -17.661 1.00 0.00 C ATOM 32 O LYS A 3 -0.004 -17.701 -16.990 1.00 0.00 O ATOM 33 CB LYS A 3 1.165 -17.708 -20.024 1.00 0.00 C ATOM 34 CG LYS A 3 2.194 -17.539 -21.129 1.00 0.00 C ATOM 35 CD LYS A 3 2.458 -16.072 -21.426 1.00 0.00 C ATOM 36 CE LYS A 3 3.288 -15.901 -22.689 1.00 0.00 C ATOM 37 NZ LYS A 3 4.032 -14.611 -22.694 1.00 0.00 N ATOM 0 H LYS A 3 1.400 -19.522 -17.821 1.00 0.00 H new ATOM 0 HA LYS A 3 2.642 -16.978 -18.644 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.674 -18.674 -20.140 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.395 -16.944 -20.135 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.125 -18.025 -20.838 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.843 -18.037 -22.033 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.510 -15.546 -21.538 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.978 -15.617 -20.583 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.994 -16.727 -22.774 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.636 -15.947 -23.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.585 -14.533 -23.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.358 -13.821 -22.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.673 -14.577 -21.876 1.00 0.00 H new ATOM 51 N LYS A 4 0.729 -15.666 -17.606 1.00 0.00 N ATOM 52 CA LYS A 4 -0.192 -14.949 -16.733 1.00 0.00 C ATOM 53 C LYS A 4 -0.638 -13.636 -17.370 1.00 0.00 C ATOM 54 O LYS A 4 -0.038 -13.169 -18.337 1.00 0.00 O ATOM 55 CB LYS A 4 0.467 -14.673 -15.381 1.00 0.00 C ATOM 56 CG LYS A 4 1.794 -13.940 -15.488 1.00 0.00 C ATOM 57 CD LYS A 4 2.804 -14.456 -14.474 1.00 0.00 C ATOM 58 CE LYS A 4 3.231 -13.366 -13.505 1.00 0.00 C ATOM 59 NZ LYS A 4 4.290 -12.492 -14.081 1.00 0.00 N ATOM 0 H LYS A 4 1.343 -15.065 -18.156 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.071 -15.575 -16.582 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.215 -14.084 -14.767 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.625 -15.619 -14.864 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.195 -14.059 -16.494 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.634 -12.873 -15.332 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.370 -15.288 -13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.679 -14.843 -14.996 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.366 -12.759 -13.238 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.597 -13.822 -12.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.553 -11.762 -13.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.126 -13.066 -14.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.932 -12.037 -14.945 1.00 0.00 H new ATOM 73 N GLU A 5 -1.694 -13.048 -16.820 1.00 0.00 N ATOM 74 CA GLU A 5 -2.222 -11.789 -17.332 1.00 0.00 C ATOM 75 C GLU A 5 -1.195 -10.669 -17.181 1.00 0.00 C ATOM 76 O GLU A 5 -0.314 -10.736 -16.324 1.00 0.00 O ATOM 77 CB GLU A 5 -3.511 -11.416 -16.597 1.00 0.00 C ATOM 78 CG GLU A 5 -3.338 -11.285 -15.093 1.00 0.00 C ATOM 79 CD GLU A 5 -3.717 -12.551 -14.351 1.00 0.00 C ATOM 80 OE1 GLU A 5 -4.658 -13.241 -14.796 1.00 0.00 O ATOM 81 OE2 GLU A 5 -3.074 -12.853 -13.323 1.00 0.00 O ATOM 0 H GLU A 5 -2.202 -13.423 -16.019 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.441 -11.919 -18.392 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.886 -10.473 -16.995 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.268 -12.172 -16.803 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.301 -11.035 -14.871 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.950 -10.459 -14.731 1.00 0.00 H new ATOM 88 N PRO A 6 -1.295 -9.618 -18.014 1.00 0.00 N ATOM 89 CA PRO A 6 -0.369 -8.483 -17.965 1.00 0.00 C ATOM 90 C PRO A 6 -0.528 -7.664 -16.690 1.00 0.00 C ATOM 91 O PRO A 6 -1.590 -7.096 -16.432 1.00 0.00 O ATOM 92 CB PRO A 6 -0.756 -7.648 -19.187 1.00 0.00 C ATOM 93 CG PRO A 6 -2.173 -8.013 -19.468 1.00 0.00 C ATOM 94 CD PRO A 6 -2.317 -9.454 -19.065 1.00 0.00 C ATOM 0 HA PRO A 6 0.671 -8.808 -17.970 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.655 -6.582 -18.985 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.114 -7.873 -20.039 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.858 -7.380 -18.904 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.409 -7.878 -20.523 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -3.318 -9.668 -18.690 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.141 -10.126 -19.905 1.00 0.00 H new ATOM 102 N GLU A 7 0.533 -7.609 -15.897 1.00 0.00 N ATOM 103 CA GLU A 7 0.517 -6.862 -14.645 1.00 0.00 C ATOM 104 C GLU A 7 1.928 -6.445 -14.244 1.00 0.00 C ATOM 105 O GLU A 7 2.743 -7.277 -13.846 1.00 0.00 O ATOM 106 CB GLU A 7 -0.117 -7.703 -13.533 1.00 0.00 C ATOM 107 CG GLU A 7 -1.112 -6.931 -12.680 1.00 0.00 C ATOM 108 CD GLU A 7 -0.938 -7.196 -11.198 1.00 0.00 C ATOM 109 OE1 GLU A 7 -0.396 -8.265 -10.846 1.00 0.00 O ATOM 110 OE2 GLU A 7 -1.343 -6.335 -10.389 1.00 0.00 O ATOM 0 H GLU A 7 1.418 -8.074 -16.098 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.080 -5.962 -14.794 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.621 -8.560 -13.979 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.672 -8.096 -12.891 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.997 -5.864 -12.870 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.126 -7.201 -12.977 1.00 0.00 H new ATOM 117 N PHE A 8 2.210 -5.149 -14.353 1.00 0.00 N ATOM 118 CA PHE A 8 3.523 -4.621 -14.002 1.00 0.00 C ATOM 119 C PHE A 8 3.471 -3.865 -12.676 1.00 0.00 C ATOM 120 O PHE A 8 3.239 -2.656 -12.652 1.00 0.00 O ATOM 121 CB PHE A 8 4.037 -3.701 -15.112 1.00 0.00 C ATOM 122 CG PHE A 8 5.157 -4.297 -15.917 1.00 0.00 C ATOM 123 CD1 PHE A 8 4.891 -5.196 -16.938 1.00 0.00 C ATOM 124 CD2 PHE A 8 6.473 -3.959 -15.652 1.00 0.00 C ATOM 125 CE1 PHE A 8 5.919 -5.746 -17.680 1.00 0.00 C ATOM 126 CE2 PHE A 8 7.506 -4.506 -16.390 1.00 0.00 C ATOM 127 CZ PHE A 8 7.227 -5.402 -17.405 1.00 0.00 C ATOM 0 H PHE A 8 1.547 -4.447 -14.681 1.00 0.00 H new ATOM 0 HA PHE A 8 4.208 -5.461 -13.890 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.211 -3.455 -15.780 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.378 -2.765 -14.668 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.869 -5.470 -17.156 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.695 -3.260 -14.859 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.699 -6.444 -18.474 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.529 -4.234 -16.174 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.032 -5.832 -17.982 1.00 0.00 H new ATOM 137 N PRO A 9 3.690 -4.570 -11.552 1.00 0.00 N ATOM 138 CA PRO A 9 3.667 -3.956 -10.220 1.00 0.00 C ATOM 139 C PRO A 9 4.848 -3.017 -9.999 1.00 0.00 C ATOM 140 O PRO A 9 5.615 -2.741 -10.920 1.00 0.00 O ATOM 141 CB PRO A 9 3.750 -5.154 -9.272 1.00 0.00 C ATOM 142 CG PRO A 9 4.418 -6.222 -10.067 1.00 0.00 C ATOM 143 CD PRO A 9 3.976 -6.015 -11.490 1.00 0.00 C ATOM 0 HA PRO A 9 2.780 -3.341 -10.069 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.322 -4.911 -8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.759 -5.467 -8.942 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.502 -6.152 -9.981 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.133 -7.211 -9.709 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.754 -6.301 -12.198 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.094 -6.610 -11.727 1.00 0.00 H new ATOM 151 N VAL A 10 4.988 -2.530 -8.770 1.00 0.00 N ATOM 152 CA VAL A 10 6.076 -1.621 -8.429 1.00 0.00 C ATOM 153 C VAL A 10 6.558 -1.854 -6.999 1.00 0.00 C ATOM 154 O VAL A 10 5.766 -1.861 -6.059 1.00 0.00 O ATOM 155 CB VAL A 10 5.649 -0.149 -8.586 1.00 0.00 C ATOM 156 CG1 VAL A 10 4.496 0.181 -7.649 1.00 0.00 C ATOM 157 CG2 VAL A 10 6.828 0.781 -8.342 1.00 0.00 C ATOM 0 H VAL A 10 4.362 -2.749 -7.995 1.00 0.00 H new ATOM 0 HA VAL A 10 6.892 -1.828 -9.122 1.00 0.00 H new ATOM 0 HB VAL A 10 5.306 -0.001 -9.610 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.211 1.225 -7.777 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.644 -0.459 -7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.806 0.013 -6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.505 1.816 -8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.207 0.630 -7.331 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.617 0.564 -9.062 1.00 0.00 H new ATOM 167 N GLU A 11 7.866 -2.045 -6.846 1.00 0.00 N ATOM 168 CA GLU A 11 8.455 -2.278 -5.533 1.00 0.00 C ATOM 169 C GLU A 11 8.636 -0.961 -4.777 1.00 0.00 C ATOM 170 O GLU A 11 9.427 -0.111 -5.183 1.00 0.00 O ATOM 171 CB GLU A 11 9.804 -2.985 -5.677 1.00 0.00 C ATOM 172 CG GLU A 11 10.847 -2.159 -6.412 1.00 0.00 C ATOM 173 CD GLU A 11 12.039 -2.986 -6.853 1.00 0.00 C ATOM 174 OE1 GLU A 11 12.932 -3.235 -6.017 1.00 0.00 O ATOM 175 OE2 GLU A 11 12.079 -3.385 -8.035 1.00 0.00 O ATOM 0 H GLU A 11 8.536 -2.043 -7.615 1.00 0.00 H new ATOM 0 HA GLU A 11 7.777 -2.914 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.182 -3.234 -4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.657 -3.926 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.388 -1.695 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.189 -1.352 -5.764 1.00 0.00 H new ATOM 182 N PRO A 12 7.905 -0.773 -3.662 1.00 0.00 N ATOM 183 CA PRO A 12 7.999 0.452 -2.859 1.00 0.00 C ATOM 184 C PRO A 12 9.356 0.597 -2.183 1.00 0.00 C ATOM 185 O PRO A 12 10.182 -0.315 -2.223 1.00 0.00 O ATOM 186 CB PRO A 12 6.896 0.283 -1.811 1.00 0.00 C ATOM 187 CG PRO A 12 6.679 -1.189 -1.721 1.00 0.00 C ATOM 188 CD PRO A 12 6.935 -1.729 -3.098 1.00 0.00 C ATOM 0 HA PRO A 12 7.887 1.347 -3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.197 0.698 -0.849 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.984 0.800 -2.110 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.354 -1.639 -0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.663 -1.415 -1.396 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.340 -2.740 -3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.021 -1.771 -3.690 1.00 0.00 H new ATOM 196 N VAL A 13 9.582 1.749 -1.562 1.00 0.00 N ATOM 197 CA VAL A 13 10.841 2.013 -0.876 1.00 0.00 C ATOM 198 C VAL A 13 10.760 1.621 0.595 1.00 0.00 C ATOM 199 O VAL A 13 9.774 1.913 1.273 1.00 0.00 O ATOM 200 CB VAL A 13 11.234 3.499 -0.976 1.00 0.00 C ATOM 201 CG1 VAL A 13 11.565 3.868 -2.413 1.00 0.00 C ATOM 202 CG2 VAL A 13 10.120 4.384 -0.434 1.00 0.00 C ATOM 0 H VAL A 13 8.910 2.515 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 13 11.601 1.408 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 13 12.124 3.662 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.840 4.921 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.398 3.258 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.694 3.690 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 13 10.416 5.430 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.211 4.219 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.935 4.137 0.611 1.00 0.00 H new ATOM 212 N GLY A 14 11.802 0.955 1.084 1.00 0.00 N ATOM 213 CA GLY A 14 11.827 0.534 2.472 1.00 0.00 C ATOM 214 C GLY A 14 12.366 -0.873 2.641 1.00 0.00 C ATOM 215 O GLY A 14 11.687 -1.848 2.317 1.00 0.00 O ATOM 0 H GLY A 14 12.629 0.700 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.441 1.227 3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.818 0.585 2.882 1.00 0.00 H new ATOM 219 N GLU A 15 13.588 -0.980 3.150 1.00 0.00 N ATOM 220 CA GLU A 15 14.218 -2.278 3.363 1.00 0.00 C ATOM 221 C GLU A 15 13.478 -3.070 4.435 1.00 0.00 C ATOM 222 O GLU A 15 13.243 -4.270 4.287 1.00 0.00 O ATOM 223 CB GLU A 15 15.683 -2.101 3.762 1.00 0.00 C ATOM 224 CG GLU A 15 16.604 -1.818 2.587 1.00 0.00 C ATOM 225 CD GLU A 15 17.951 -2.502 2.724 1.00 0.00 C ATOM 226 OE1 GLU A 15 17.976 -3.747 2.822 1.00 0.00 O ATOM 227 OE2 GLU A 15 18.980 -1.793 2.733 1.00 0.00 O ATOM 0 H GLU A 15 14.163 -0.183 3.423 1.00 0.00 H new ATOM 0 HA GLU A 15 14.171 -2.834 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.759 -1.283 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.024 -3.003 4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.124 -2.149 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.754 -0.742 2.499 1.00 0.00 H new ATOM 234 N LYS A 16 13.112 -2.390 5.518 1.00 0.00 N ATOM 235 CA LYS A 16 12.395 -3.029 6.617 1.00 0.00 C ATOM 236 C LYS A 16 11.120 -2.263 6.948 1.00 0.00 C ATOM 237 O LYS A 16 11.170 -1.152 7.476 1.00 0.00 O ATOM 238 CB LYS A 16 13.291 -3.111 7.855 1.00 0.00 C ATOM 239 CG LYS A 16 12.945 -4.268 8.778 1.00 0.00 C ATOM 240 CD LYS A 16 14.109 -4.619 9.691 1.00 0.00 C ATOM 241 CE LYS A 16 13.982 -3.934 11.043 1.00 0.00 C ATOM 242 NZ LYS A 16 14.596 -4.740 12.134 1.00 0.00 N ATOM 0 H LYS A 16 13.300 -1.397 5.658 1.00 0.00 H new ATOM 0 HA LYS A 16 12.122 -4.038 6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.329 -3.208 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.214 -2.177 8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.075 -4.007 9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.671 -5.140 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.150 -5.699 9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.046 -4.323 9.218 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.461 -2.956 11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.929 -3.764 11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.488 -4.239 13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.122 -5.664 12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.607 -4.881 11.935 1.00 0.00 H new ATOM 256 N SER A 17 9.976 -2.861 6.631 1.00 0.00 N ATOM 257 CA SER A 17 8.687 -2.231 6.892 1.00 0.00 C ATOM 258 C SER A 17 7.721 -3.208 7.553 1.00 0.00 C ATOM 259 O SER A 17 7.681 -4.390 7.208 1.00 0.00 O ATOM 260 CB SER A 17 8.084 -1.699 5.590 1.00 0.00 C ATOM 261 OG SER A 17 7.498 -0.424 5.783 1.00 0.00 O ATOM 0 H SER A 17 9.915 -3.780 6.193 1.00 0.00 H new ATOM 0 HA SER A 17 8.852 -1.399 7.576 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.859 -1.635 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.332 -2.397 5.222 1.00 0.00 H new ATOM 0 HG SER A 17 6.929 -0.206 5.016 1.00 0.00 H new ATOM 267 N ASN A 18 6.943 -2.704 8.504 1.00 0.00 N ATOM 268 CA ASN A 18 5.970 -3.524 9.217 1.00 0.00 C ATOM 269 C ASN A 18 4.803 -3.891 8.307 1.00 0.00 C ATOM 270 O ASN A 18 4.721 -3.425 7.171 1.00 0.00 O ATOM 271 CB ASN A 18 5.459 -2.782 10.454 1.00 0.00 C ATOM 272 CG ASN A 18 5.956 -3.402 11.746 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.299 -4.268 12.324 1.00 0.00 O ATOM 274 ND2 ASN A 18 7.120 -2.960 12.205 1.00 0.00 N ATOM 0 H ASN A 18 6.967 -1.728 8.800 1.00 0.00 H new ATOM 0 HA ASN A 18 6.463 -4.443 9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.778 -1.741 10.407 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.369 -2.782 10.450 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.504 -3.340 13.070 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.630 -2.241 11.693 1.00 0.00 H new ATOM 281 N TYR A 19 3.902 -4.728 8.808 1.00 0.00 N ATOM 282 CA TYR A 19 2.742 -5.151 8.030 1.00 0.00 C ATOM 283 C TYR A 19 1.454 -4.975 8.830 1.00 0.00 C ATOM 284 O TYR A 19 1.270 -5.590 9.880 1.00 0.00 O ATOM 285 CB TYR A 19 2.881 -6.612 7.588 1.00 0.00 C ATOM 286 CG TYR A 19 4.297 -7.147 7.652 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.293 -6.636 6.828 1.00 0.00 C ATOM 288 CD2 TYR A 19 4.635 -8.165 8.536 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.585 -7.124 6.885 1.00 0.00 C ATOM 290 CE2 TYR A 19 5.926 -8.657 8.599 1.00 0.00 C ATOM 291 CZ TYR A 19 6.896 -8.133 7.771 1.00 0.00 C ATOM 292 OH TYR A 19 8.181 -8.621 7.832 1.00 0.00 O ATOM 0 H TYR A 19 3.951 -5.126 9.746 1.00 0.00 H new ATOM 0 HA TYR A 19 2.694 -4.519 7.143 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.241 -7.232 8.216 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.514 -6.707 6.566 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.054 -5.845 6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.877 -8.579 9.184 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.348 -6.716 6.238 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.173 -9.447 9.293 1.00 0.00 H new ATOM 0 HH TYR A 19 8.231 -9.328 8.509 1.00 0.00 H new ATOM 302 N ILE A 20 0.564 -4.131 8.319 1.00 0.00 N ATOM 303 CA ILE A 20 -0.712 -3.866 8.970 1.00 0.00 C ATOM 304 C ILE A 20 -1.683 -5.025 8.762 1.00 0.00 C ATOM 305 O ILE A 20 -2.161 -5.256 7.651 1.00 0.00 O ATOM 306 CB ILE A 20 -1.349 -2.566 8.432 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.509 -1.356 8.845 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.783 -2.417 8.928 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.482 -0.920 7.786 1.00 0.00 C ATOM 0 H ILE A 20 0.705 -3.616 7.450 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.514 -3.752 10.036 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.373 -2.620 7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.174 -0.523 9.074 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.031 -1.594 9.761 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.210 -1.494 8.536 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.376 -3.265 8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.790 -2.385 10.018 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.043 -0.058 8.146 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.170 -1.738 7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.053 -0.650 6.876 1.00 0.00 H new ATOM 321 N CYS A 21 -1.980 -5.741 9.842 1.00 0.00 N ATOM 322 CA CYS A 21 -2.904 -6.867 9.780 1.00 0.00 C ATOM 323 C CYS A 21 -4.346 -6.375 9.829 1.00 0.00 C ATOM 324 O CYS A 21 -4.684 -5.501 10.627 1.00 0.00 O ATOM 325 CB CYS A 21 -2.643 -7.836 10.934 1.00 0.00 C ATOM 326 SG CYS A 21 -2.752 -7.080 12.573 1.00 0.00 S ATOM 0 H CYS A 21 -1.595 -5.561 10.769 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.743 -7.391 8.838 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.360 -8.655 10.875 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.651 -8.271 10.812 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.620 -6.112 12.548 1.00 0.00 H new ATOM 332 N HIS A 22 -5.190 -6.932 8.969 1.00 0.00 N ATOM 333 CA HIS A 22 -6.591 -6.538 8.918 1.00 0.00 C ATOM 334 C HIS A 22 -7.417 -7.537 8.112 1.00 0.00 C ATOM 335 O HIS A 22 -7.305 -7.598 6.889 1.00 0.00 O ATOM 336 CB HIS A 22 -6.726 -5.142 8.308 1.00 0.00 C ATOM 337 CG HIS A 22 -7.930 -4.393 8.789 1.00 0.00 C ATOM 338 ND1 HIS A 22 -8.903 -3.908 7.941 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.315 -4.046 10.040 1.00 0.00 C ATOM 340 CE1 HIS A 22 -9.835 -3.294 8.650 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.502 -3.365 9.925 1.00 0.00 N ATOM 0 H HIS A 22 -4.929 -7.656 8.299 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.972 -6.524 9.939 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.832 -4.564 8.541 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.773 -5.232 7.223 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.787 -4.264 10.957 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.718 -2.816 8.253 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.040 -2.977 10.700 1.00 0.00 H new ATOM 350 N LYS A 23 -8.255 -8.302 8.810 1.00 0.00 N ATOM 351 CA LYS A 23 -9.130 -9.302 8.186 1.00 0.00 C ATOM 352 C LYS A 23 -8.541 -9.886 6.902 1.00 0.00 C ATOM 353 O LYS A 23 -8.922 -9.494 5.800 1.00 0.00 O ATOM 354 CB LYS A 23 -10.499 -8.691 7.887 1.00 0.00 C ATOM 355 CG LYS A 23 -10.437 -7.234 7.454 1.00 0.00 C ATOM 356 CD LYS A 23 -11.547 -6.894 6.475 1.00 0.00 C ATOM 357 CE LYS A 23 -12.921 -7.175 7.061 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.872 -6.058 6.808 1.00 0.00 N ATOM 0 H LYS A 23 -8.349 -8.249 9.824 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.230 -10.119 8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.984 -9.273 7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.124 -8.770 8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.514 -6.590 8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.470 -7.032 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.478 -5.842 6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.416 -7.473 5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.318 -8.094 6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.831 -7.339 8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.808 -6.446 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.947 -5.467 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.526 -5.480 6.015 1.00 0.00 H new ATOM 372 N GLY A 24 -7.623 -10.832 7.051 1.00 0.00 N ATOM 373 CA GLY A 24 -7.014 -11.466 5.894 1.00 0.00 C ATOM 374 C GLY A 24 -6.167 -10.524 5.062 1.00 0.00 C ATOM 375 O GLY A 24 -5.754 -10.877 3.958 1.00 0.00 O ATOM 0 H GLY A 24 -7.288 -11.173 7.952 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.395 -12.298 6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.799 -11.887 5.265 1.00 0.00 H new ATOM 379 N HIS A 25 -5.900 -9.325 5.576 1.00 0.00 N ATOM 380 CA HIS A 25 -5.095 -8.360 4.839 1.00 0.00 C ATOM 381 C HIS A 25 -3.868 -7.918 5.627 1.00 0.00 C ATOM 382 O HIS A 25 -3.951 -7.617 6.817 1.00 0.00 O ATOM 383 CB HIS A 25 -5.938 -7.143 4.434 1.00 0.00 C ATOM 384 CG HIS A 25 -6.009 -6.971 2.954 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.926 -6.182 2.290 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.255 -7.550 1.999 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.698 -6.319 0.971 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.691 -7.142 0.757 1.00 0.00 N ATOM 0 H HIS A 25 -6.225 -9.004 6.488 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.743 -8.860 3.937 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.946 -7.253 4.834 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.514 -6.244 4.882 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -7.645 -5.601 2.721 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.435 -8.229 2.179 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.262 -5.823 0.195 1.00 0.00 H new ATOM 396 N GLU A 26 -2.726 -7.878 4.941 1.00 0.00 N ATOM 397 CA GLU A 26 -1.471 -7.469 5.556 1.00 0.00 C ATOM 398 C GLU A 26 -0.854 -6.308 4.782 1.00 0.00 C ATOM 399 O GLU A 26 0.156 -6.468 4.098 1.00 0.00 O ATOM 400 CB GLU A 26 -0.497 -8.650 5.607 1.00 0.00 C ATOM 401 CG GLU A 26 0.268 -8.752 6.917 1.00 0.00 C ATOM 402 CD GLU A 26 0.464 -10.187 7.366 1.00 0.00 C ATOM 403 OE1 GLU A 26 1.191 -10.931 6.674 1.00 0.00 O ATOM 404 OE2 GLU A 26 -0.110 -10.566 8.408 1.00 0.00 O ATOM 0 H GLU A 26 -2.648 -8.126 3.955 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.674 -7.138 6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.052 -9.575 5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.215 -8.559 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.241 -8.274 6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.268 -8.203 7.691 1.00 0.00 H new ATOM 411 N PHE A 27 -1.476 -5.140 4.893 1.00 0.00 N ATOM 412 CA PHE A 27 -0.995 -3.948 4.200 1.00 0.00 C ATOM 413 C PHE A 27 0.396 -3.560 4.680 1.00 0.00 C ATOM 414 O PHE A 27 0.834 -3.976 5.748 1.00 0.00 O ATOM 415 CB PHE A 27 -1.961 -2.777 4.391 1.00 0.00 C ATOM 416 CG PHE A 27 -3.411 -3.169 4.359 1.00 0.00 C ATOM 417 CD1 PHE A 27 -4.024 -3.509 3.163 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.160 -3.197 5.524 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.357 -3.869 3.130 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.495 -3.555 5.495 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.094 -3.891 4.298 1.00 0.00 C ATOM 0 H PHE A 27 -2.314 -4.992 5.455 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.941 -4.185 3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.747 -2.295 5.345 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.778 -2.038 3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.453 -3.492 2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.697 -2.937 6.464 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.823 -4.133 2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.069 -3.572 6.409 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.137 -4.171 4.275 1.00 0.00 H new ATOM 431 N ILE A 28 1.090 -2.772 3.870 1.00 0.00 N ATOM 432 CA ILE A 28 2.438 -2.337 4.199 1.00 0.00 C ATOM 433 C ILE A 28 2.571 -0.824 4.073 1.00 0.00 C ATOM 434 O ILE A 28 2.139 -0.235 3.084 1.00 0.00 O ATOM 435 CB ILE A 28 3.478 -3.011 3.283 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.125 -4.489 3.070 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.876 -2.860 3.867 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.510 -5.386 4.226 1.00 0.00 C ATOM 0 H ILE A 28 0.740 -2.421 2.979 1.00 0.00 H new ATOM 0 HA ILE A 28 2.627 -2.630 5.232 1.00 0.00 H new ATOM 0 HB ILE A 28 3.463 -2.517 2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.052 -4.575 2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.621 -4.844 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.599 -3.341 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.119 -1.802 3.961 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.912 -3.329 4.850 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.228 -6.414 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.587 -5.332 4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.993 -5.059 5.128 1.00 0.00 H new ATOM 450 N PRO A 29 3.176 -0.172 5.080 1.00 0.00 N ATOM 451 CA PRO A 29 3.361 1.280 5.076 1.00 0.00 C ATOM 452 C PRO A 29 4.376 1.732 4.036 1.00 0.00 C ATOM 453 O PRO A 29 5.563 1.426 4.137 1.00 0.00 O ATOM 454 CB PRO A 29 3.875 1.580 6.481 1.00 0.00 C ATOM 455 CG PRO A 29 4.510 0.314 6.937 1.00 0.00 C ATOM 456 CD PRO A 29 3.726 -0.795 6.297 1.00 0.00 C ATOM 0 HA PRO A 29 2.439 1.804 4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.592 2.401 6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.062 1.875 7.144 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.558 0.274 6.639 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.484 0.234 8.024 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.360 -1.649 6.059 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.936 -1.158 6.954 1.00 0.00 H new ATOM 464 N THR A 30 3.899 2.464 3.039 1.00 0.00 N ATOM 465 CA THR A 30 4.766 2.960 1.983 1.00 0.00 C ATOM 466 C THR A 30 4.183 4.218 1.344 1.00 0.00 C ATOM 467 O THR A 30 3.011 4.539 1.540 1.00 0.00 O ATOM 468 CB THR A 30 4.973 1.882 0.919 1.00 0.00 C ATOM 469 OG1 THR A 30 5.890 2.320 -0.068 1.00 0.00 O ATOM 470 CG2 THR A 30 3.692 1.489 0.214 1.00 0.00 C ATOM 0 H THR A 30 2.918 2.726 2.940 1.00 0.00 H new ATOM 0 HA THR A 30 5.729 3.214 2.426 1.00 0.00 H new ATOM 0 HB THR A 30 5.357 1.014 1.455 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.398 2.626 -0.858 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.906 0.721 -0.529 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.980 1.101 0.942 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.266 2.362 -0.280 1.00 0.00 H new ATOM 478 N LEU A 31 5.007 4.923 0.577 1.00 0.00 N ATOM 479 CA LEU A 31 4.574 6.142 -0.095 1.00 0.00 C ATOM 480 C LEU A 31 4.515 5.932 -1.604 1.00 0.00 C ATOM 481 O LEU A 31 5.184 5.054 -2.145 1.00 0.00 O ATOM 482 CB LEU A 31 5.525 7.293 0.237 1.00 0.00 C ATOM 483 CG LEU A 31 5.647 7.622 1.727 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.542 8.834 1.935 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.271 7.858 2.333 1.00 0.00 C ATOM 0 H LEU A 31 5.980 4.671 0.405 1.00 0.00 H new ATOM 0 HA LEU A 31 3.574 6.394 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.515 7.049 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.189 8.186 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 31 6.103 6.771 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.617 9.053 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.535 8.626 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.117 9.694 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.375 8.091 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.788 8.692 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.663 6.961 2.217 1.00 0.00 H new ATOM 497 N TYR A 32 3.706 6.742 -2.280 1.00 0.00 N ATOM 498 CA TYR A 32 3.560 6.636 -3.727 1.00 0.00 C ATOM 499 C TYR A 32 3.595 8.011 -4.387 1.00 0.00 C ATOM 500 O TYR A 32 2.637 8.779 -4.295 1.00 0.00 O ATOM 501 CB TYR A 32 2.256 5.919 -4.077 1.00 0.00 C ATOM 502 CG TYR A 32 2.316 4.422 -3.859 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.745 3.574 -4.870 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.947 3.863 -2.642 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.806 2.206 -4.676 1.00 0.00 C ATOM 506 CE2 TYR A 32 2.004 2.498 -2.440 1.00 0.00 C ATOM 507 CZ TYR A 32 2.434 1.674 -3.459 1.00 0.00 C ATOM 508 OH TYR A 32 2.493 0.314 -3.262 1.00 0.00 O ATOM 0 H TYR A 32 3.143 7.476 -1.850 1.00 0.00 H new ATOM 0 HA TYR A 32 4.400 6.055 -4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.448 6.334 -3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.010 6.117 -5.120 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.036 3.989 -5.824 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.610 4.506 -1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.143 1.559 -5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.713 2.078 -1.489 1.00 0.00 H new ATOM 0 HH TYR A 32 2.992 -0.101 -3.996 1.00 0.00 H new ATOM 518 N HIS A 33 4.706 8.312 -5.052 1.00 0.00 N ATOM 519 CA HIS A 33 4.868 9.593 -5.731 1.00 0.00 C ATOM 520 C HIS A 33 4.190 9.584 -7.101 1.00 0.00 C ATOM 521 O HIS A 33 4.074 10.623 -7.750 1.00 0.00 O ATOM 522 CB HIS A 33 6.354 9.923 -5.890 1.00 0.00 C ATOM 523 CG HIS A 33 6.890 10.809 -4.808 1.00 0.00 C ATOM 524 ND1 HIS A 33 7.895 10.421 -3.946 1.00 0.00 N ATOM 525 CD2 HIS A 33 6.557 12.072 -4.450 1.00 0.00 C ATOM 526 CE1 HIS A 33 8.157 11.407 -3.106 1.00 0.00 C ATOM 527 NE2 HIS A 33 7.359 12.419 -3.390 1.00 0.00 N ATOM 0 H HIS A 33 5.507 7.686 -5.135 1.00 0.00 H new ATOM 0 HA HIS A 33 4.391 10.358 -5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.924 8.994 -5.904 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.509 10.407 -6.854 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.802 12.691 -4.912 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.898 11.388 -2.321 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.341 13.314 -2.901 1.00 0.00 H new ATOM 536 N PHE A 34 3.742 8.409 -7.537 1.00 0.00 N ATOM 537 CA PHE A 34 3.077 8.276 -8.828 1.00 0.00 C ATOM 538 C PHE A 34 1.580 8.054 -8.643 1.00 0.00 C ATOM 539 O PHE A 34 1.115 7.800 -7.534 1.00 0.00 O ATOM 540 CB PHE A 34 3.679 7.121 -9.631 1.00 0.00 C ATOM 541 CG PHE A 34 5.159 6.946 -9.431 1.00 0.00 C ATOM 542 CD1 PHE A 34 6.058 7.823 -10.016 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.648 5.905 -8.660 1.00 0.00 C ATOM 544 CE1 PHE A 34 7.419 7.666 -9.833 1.00 0.00 C ATOM 545 CE2 PHE A 34 7.009 5.743 -8.472 1.00 0.00 C ATOM 546 CZ PHE A 34 7.894 6.623 -9.061 1.00 0.00 C ATOM 0 H PHE A 34 3.828 7.537 -7.015 1.00 0.00 H new ATOM 0 HA PHE A 34 3.229 9.203 -9.380 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.173 6.196 -9.354 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.483 7.287 -10.690 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.691 8.638 -10.622 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.959 5.212 -8.200 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.110 8.357 -10.293 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.378 4.929 -7.865 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.957 6.497 -8.919 1.00 0.00 H new ATOM 556 N PRO A 35 0.803 8.152 -9.733 1.00 0.00 N ATOM 557 CA PRO A 35 -0.651 7.968 -9.690 1.00 0.00 C ATOM 558 C PRO A 35 -1.055 6.559 -9.263 1.00 0.00 C ATOM 559 O PRO A 35 -0.995 5.619 -10.055 1.00 0.00 O ATOM 560 CB PRO A 35 -1.098 8.231 -11.134 1.00 0.00 C ATOM 561 CG PRO A 35 0.037 8.959 -11.771 1.00 0.00 C ATOM 562 CD PRO A 35 1.277 8.455 -11.092 1.00 0.00 C ATOM 0 HA PRO A 35 -1.113 8.631 -8.958 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.309 7.298 -11.656 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.011 8.825 -11.161 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.073 8.767 -12.843 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.068 10.036 -11.644 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.678 7.571 -11.587 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.069 9.204 -11.087 1.00 0.00 H new ATOM 570 N THR A 36 -1.474 6.423 -8.008 1.00 0.00 N ATOM 571 CA THR A 36 -1.901 5.134 -7.479 1.00 0.00 C ATOM 572 C THR A 36 -3.358 5.207 -7.026 1.00 0.00 C ATOM 573 O THR A 36 -3.803 6.227 -6.500 1.00 0.00 O ATOM 574 CB THR A 36 -0.992 4.705 -6.318 1.00 0.00 C ATOM 575 OG1 THR A 36 0.294 4.356 -6.796 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.524 3.521 -5.535 1.00 0.00 C ATOM 0 H THR A 36 -1.526 7.191 -7.339 1.00 0.00 H new ATOM 0 HA THR A 36 -1.822 4.387 -8.268 1.00 0.00 H new ATOM 0 HB THR A 36 -0.952 5.567 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.887 4.174 -6.037 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.830 3.275 -4.731 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.496 3.773 -5.111 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.629 2.663 -6.199 1.00 0.00 H new ATOM 584 N ASN A 37 -4.100 4.128 -7.248 1.00 0.00 N ATOM 585 CA ASN A 37 -5.509 4.084 -6.873 1.00 0.00 C ATOM 586 C ASN A 37 -5.720 3.287 -5.588 1.00 0.00 C ATOM 587 O ASN A 37 -5.002 2.326 -5.315 1.00 0.00 O ATOM 588 CB ASN A 37 -6.338 3.471 -8.003 1.00 0.00 C ATOM 589 CG ASN A 37 -6.005 4.070 -9.356 1.00 0.00 C ATOM 590 OD1 ASN A 37 -6.405 5.192 -9.667 1.00 0.00 O ATOM 591 ND2 ASN A 37 -5.270 3.321 -10.170 1.00 0.00 N ATOM 0 H ASN A 37 -3.751 3.275 -7.684 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.837 5.108 -6.696 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.166 2.395 -8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.397 3.619 -7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.016 3.670 -11.094 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.960 2.396 -9.871 1.00 0.00 H new ATOM 598 N CYS A 38 -6.718 3.694 -4.810 1.00 0.00 N ATOM 599 CA CYS A 38 -7.041 3.022 -3.557 1.00 0.00 C ATOM 600 C CYS A 38 -8.183 2.030 -3.770 1.00 0.00 C ATOM 601 O CYS A 38 -9.103 2.285 -4.547 1.00 0.00 O ATOM 602 CB CYS A 38 -7.403 4.060 -2.483 1.00 0.00 C ATOM 603 SG CYS A 38 -8.619 3.502 -1.241 1.00 0.00 S ATOM 0 H CYS A 38 -7.319 4.489 -5.027 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.169 2.465 -3.214 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.491 4.358 -1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.794 4.949 -2.977 1.00 0.00 H new ATOM 608 N GLU A 39 -8.114 0.896 -3.078 1.00 0.00 N ATOM 609 CA GLU A 39 -9.140 -0.135 -3.197 1.00 0.00 C ATOM 610 C GLU A 39 -10.339 0.175 -2.305 1.00 0.00 C ATOM 611 O GLU A 39 -11.483 -0.093 -2.673 1.00 0.00 O ATOM 612 CB GLU A 39 -8.557 -1.502 -2.836 1.00 0.00 C ATOM 613 CG GLU A 39 -8.209 -2.354 -4.046 1.00 0.00 C ATOM 614 CD GLU A 39 -9.433 -2.968 -4.697 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.397 -3.286 -3.969 1.00 0.00 O ATOM 616 OE2 GLU A 39 -9.429 -3.128 -5.935 1.00 0.00 O ATOM 0 H GLU A 39 -7.360 0.668 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.483 -0.153 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.660 -1.358 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.274 -2.041 -2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.681 -1.742 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.526 -3.148 -3.743 1.00 0.00 H new ATOM 623 N ALA A 40 -10.071 0.735 -1.131 1.00 0.00 N ATOM 624 CA ALA A 40 -11.128 1.077 -0.185 1.00 0.00 C ATOM 625 C ALA A 40 -12.162 2.005 -0.820 1.00 0.00 C ATOM 626 O ALA A 40 -13.171 1.545 -1.356 1.00 0.00 O ATOM 627 CB ALA A 40 -10.530 1.709 1.066 1.00 0.00 C ATOM 0 H ALA A 40 -9.130 0.962 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.641 0.158 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.329 1.960 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.844 1.005 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.989 2.615 0.793 1.00 0.00 H new ATOM 633 N CYS A 41 -11.913 3.311 -0.757 1.00 0.00 N ATOM 634 CA CYS A 41 -12.828 4.292 -1.328 1.00 0.00 C ATOM 635 C CYS A 41 -12.618 4.421 -2.834 1.00 0.00 C ATOM 636 O CYS A 41 -11.926 3.608 -3.446 1.00 0.00 O ATOM 637 CB CYS A 41 -12.642 5.652 -0.648 1.00 0.00 C ATOM 638 SG CYS A 41 -11.084 6.500 -1.070 1.00 0.00 S ATOM 0 H CYS A 41 -11.085 3.713 -0.316 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.847 3.948 -1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.477 6.297 -0.919 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.684 5.513 0.432 1.00 0.00 H new ATOM 643 N MET A 42 -13.223 5.446 -3.426 1.00 0.00 N ATOM 644 CA MET A 42 -13.102 5.681 -4.860 1.00 0.00 C ATOM 645 C MET A 42 -12.023 6.718 -5.160 1.00 0.00 C ATOM 646 O MET A 42 -11.443 6.727 -6.244 1.00 0.00 O ATOM 647 CB MET A 42 -14.441 6.140 -5.436 1.00 0.00 C ATOM 648 CG MET A 42 -15.610 5.249 -5.044 1.00 0.00 C ATOM 649 SD MET A 42 -16.615 4.753 -6.459 1.00 0.00 S ATOM 650 CE MET A 42 -17.347 3.240 -5.839 1.00 0.00 C ATOM 0 H MET A 42 -13.802 6.127 -2.935 1.00 0.00 H new ATOM 0 HA MET A 42 -12.812 4.741 -5.331 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.642 7.157 -5.100 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.368 6.172 -6.523 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.230 4.358 -4.543 1.00 0.00 H new ATOM 0 HG3 MET A 42 -16.237 5.776 -4.325 1.00 0.00 H new ATOM 0 HE1 MET A 42 -17.998 2.812 -6.601 1.00 0.00 H new ATOM 0 HE2 MET A 42 -16.559 2.529 -5.593 1.00 0.00 H new ATOM 0 HE3 MET A 42 -17.931 3.458 -4.945 1.00 0.00 H new ATOM 660 N LYS A 43 -11.759 7.591 -4.192 1.00 0.00 N ATOM 661 CA LYS A 43 -10.750 8.632 -4.354 1.00 0.00 C ATOM 662 C LYS A 43 -9.401 8.031 -4.752 1.00 0.00 C ATOM 663 O LYS A 43 -9.131 6.861 -4.481 1.00 0.00 O ATOM 664 CB LYS A 43 -10.604 9.437 -3.060 1.00 0.00 C ATOM 665 CG LYS A 43 -11.233 10.820 -3.128 1.00 0.00 C ATOM 666 CD LYS A 43 -12.695 10.750 -3.543 1.00 0.00 C ATOM 667 CE LYS A 43 -12.904 11.301 -4.944 1.00 0.00 C ATOM 668 NZ LYS A 43 -14.204 10.864 -5.525 1.00 0.00 N ATOM 0 H LYS A 43 -12.230 7.598 -3.287 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.078 9.298 -5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.060 8.880 -2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.545 9.540 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.153 11.305 -2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.682 11.437 -3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.036 9.716 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.303 11.314 -2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.867 12.390 -4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.089 10.972 -5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.308 11.261 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.230 9.826 -5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.983 11.200 -4.924 1.00 0.00 H new ATOM 682 N PRO A 44 -8.538 8.829 -5.405 1.00 0.00 N ATOM 683 CA PRO A 44 -7.216 8.370 -5.840 1.00 0.00 C ATOM 684 C PRO A 44 -6.258 8.159 -4.672 1.00 0.00 C ATOM 685 O PRO A 44 -6.672 8.150 -3.512 1.00 0.00 O ATOM 686 CB PRO A 44 -6.723 9.510 -6.735 1.00 0.00 C ATOM 687 CG PRO A 44 -7.440 10.718 -6.238 1.00 0.00 C ATOM 688 CD PRO A 44 -8.785 10.237 -5.768 1.00 0.00 C ATOM 0 HA PRO A 44 -7.266 7.404 -6.342 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.642 9.632 -6.661 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.951 9.317 -7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.889 11.192 -5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.546 11.462 -7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.143 10.815 -4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.539 10.324 -6.551 1.00 0.00 H new ATOM 696 N LEU A 45 -4.979 7.987 -4.987 1.00 0.00 N ATOM 697 CA LEU A 45 -3.960 7.773 -3.965 1.00 0.00 C ATOM 698 C LEU A 45 -2.574 8.110 -4.504 1.00 0.00 C ATOM 699 O LEU A 45 -1.988 7.336 -5.258 1.00 0.00 O ATOM 700 CB LEU A 45 -3.998 6.322 -3.478 1.00 0.00 C ATOM 701 CG LEU A 45 -2.888 5.931 -2.498 1.00 0.00 C ATOM 702 CD1 LEU A 45 -2.859 6.885 -1.315 1.00 0.00 C ATOM 703 CD2 LEU A 45 -3.075 4.499 -2.021 1.00 0.00 C ATOM 0 H LEU A 45 -4.623 7.992 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.172 8.435 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.961 6.141 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.943 5.664 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.933 5.999 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.064 6.591 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.676 7.899 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.817 6.850 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.277 4.240 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.038 4.406 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.045 3.824 -2.876 1.00 0.00 H new ATOM 715 N TRP A 46 -2.054 9.272 -4.113 1.00 0.00 N ATOM 716 CA TRP A 46 -0.730 9.713 -4.557 1.00 0.00 C ATOM 717 C TRP A 46 -0.473 11.160 -4.153 1.00 0.00 C ATOM 718 O TRP A 46 -1.326 11.809 -3.547 1.00 0.00 O ATOM 719 CB TRP A 46 -0.592 9.569 -6.074 1.00 0.00 C ATOM 720 CG TRP A 46 -1.734 10.168 -6.837 1.00 0.00 C ATOM 721 CD1 TRP A 46 -2.853 9.522 -7.277 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.868 11.532 -7.251 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.676 10.402 -7.939 1.00 0.00 N ATOM 724 CE2 TRP A 46 -3.092 11.642 -7.937 1.00 0.00 C ATOM 725 CE3 TRP A 46 -1.072 12.672 -7.108 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -3.539 12.846 -8.476 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -1.516 13.866 -7.646 1.00 0.00 C ATOM 728 CH2 TRP A 46 -2.739 13.945 -8.323 1.00 0.00 C ATOM 0 H TRP A 46 -2.528 9.926 -3.490 1.00 0.00 H new ATOM 0 HA TRP A 46 0.010 9.077 -4.071 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.336 10.043 -6.393 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.513 8.511 -6.325 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.061 8.473 -7.127 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.574 10.170 -8.362 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.127 12.621 -6.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.483 12.910 -8.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.909 14.753 -7.542 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.057 14.892 -8.733 1.00 0.00 H new ATOM 739 N HIS A 47 0.712 11.661 -4.496 1.00 0.00 N ATOM 740 CA HIS A 47 1.088 13.033 -4.174 1.00 0.00 C ATOM 741 C HIS A 47 2.500 13.335 -4.669 1.00 0.00 C ATOM 742 O HIS A 47 3.432 12.575 -4.416 1.00 0.00 O ATOM 743 CB HIS A 47 0.999 13.271 -2.664 1.00 0.00 C ATOM 744 CG HIS A 47 0.072 14.386 -2.290 1.00 0.00 C ATOM 745 ND1 HIS A 47 0.333 15.269 -1.263 1.00 0.00 N ATOM 746 CD2 HIS A 47 -1.121 14.760 -2.811 1.00 0.00 C ATOM 747 CE1 HIS A 47 -0.659 16.137 -1.170 1.00 0.00 C ATOM 748 NE2 HIS A 47 -1.552 15.851 -2.098 1.00 0.00 N ATOM 0 H HIS A 47 1.428 11.135 -4.997 1.00 0.00 H new ATOM 0 HA HIS A 47 0.392 13.704 -4.678 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.666 12.354 -2.178 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.995 13.492 -2.279 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.162 15.254 -0.669 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.637 14.288 -3.634 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.727 16.944 -0.455 1.00 0.00 H new ATOM 757 N MET A 48 2.648 14.449 -5.378 1.00 0.00 N ATOM 758 CA MET A 48 3.945 14.850 -5.910 1.00 0.00 C ATOM 759 C MET A 48 4.760 15.596 -4.859 1.00 0.00 C ATOM 760 O MET A 48 5.960 15.364 -4.710 1.00 0.00 O ATOM 761 CB MET A 48 3.761 15.730 -7.148 1.00 0.00 C ATOM 762 CG MET A 48 3.366 14.953 -8.393 1.00 0.00 C ATOM 763 SD MET A 48 3.197 16.008 -9.846 1.00 0.00 S ATOM 764 CE MET A 48 2.272 17.380 -9.160 1.00 0.00 C ATOM 0 H MET A 48 1.886 15.090 -5.597 1.00 0.00 H new ATOM 0 HA MET A 48 4.488 13.948 -6.190 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.998 16.480 -6.940 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.690 16.266 -7.344 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.115 14.186 -8.591 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.423 14.438 -8.211 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.845 17.972 -9.970 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.471 16.998 -8.527 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.937 18.006 -8.565 1.00 0.00 H new ATOM 774 N PHE A 49 4.101 16.493 -4.134 1.00 0.00 N ATOM 775 CA PHE A 49 4.767 17.276 -3.099 1.00 0.00 C ATOM 776 C PHE A 49 5.074 16.419 -1.876 1.00 0.00 C ATOM 777 O PHE A 49 6.223 16.051 -1.636 1.00 0.00 O ATOM 778 CB PHE A 49 3.897 18.468 -2.695 1.00 0.00 C ATOM 779 CG PHE A 49 3.708 19.474 -3.795 1.00 0.00 C ATOM 780 CD1 PHE A 49 4.788 20.181 -4.299 1.00 0.00 C ATOM 781 CD2 PHE A 49 2.451 19.709 -4.327 1.00 0.00 C ATOM 782 CE1 PHE A 49 4.616 21.106 -5.312 1.00 0.00 C ATOM 783 CE2 PHE A 49 2.273 20.632 -5.340 1.00 0.00 C ATOM 784 CZ PHE A 49 3.357 21.332 -5.832 1.00 0.00 C ATOM 0 H PHE A 49 3.107 16.696 -4.243 1.00 0.00 H new ATOM 0 HA PHE A 49 5.709 17.642 -3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.921 18.103 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.349 18.963 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.775 20.008 -3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.600 19.164 -3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.465 21.651 -5.696 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.288 20.806 -5.746 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.220 22.055 -6.622 1.00 0.00 H new ATOM 794 N LYS A 50 4.039 16.108 -1.101 1.00 0.00 N ATOM 795 CA LYS A 50 4.201 15.297 0.100 1.00 0.00 C ATOM 796 C LYS A 50 3.326 14.045 0.040 1.00 0.00 C ATOM 797 O LYS A 50 2.151 14.085 0.404 1.00 0.00 O ATOM 798 CB LYS A 50 3.847 16.117 1.343 1.00 0.00 C ATOM 799 CG LYS A 50 4.618 17.424 1.448 1.00 0.00 C ATOM 800 CD LYS A 50 5.912 17.247 2.224 1.00 0.00 C ATOM 801 CE LYS A 50 6.180 18.429 3.142 1.00 0.00 C ATOM 802 NZ LYS A 50 7.279 18.147 4.105 1.00 0.00 N ATOM 0 H LYS A 50 3.080 16.405 -1.283 1.00 0.00 H new ATOM 0 HA LYS A 50 5.244 14.986 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.779 16.334 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.042 15.517 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.840 17.798 0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.998 18.175 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.861 16.332 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.742 17.131 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.438 19.302 2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.271 18.676 3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.430 18.978 4.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.023 17.329 4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.153 17.937 3.582 1.00 0.00 H new ATOM 816 N PRO A 51 3.888 12.911 -0.419 1.00 0.00 N ATOM 817 CA PRO A 51 3.146 11.649 -0.518 1.00 0.00 C ATOM 818 C PRO A 51 2.675 11.151 0.847 1.00 0.00 C ATOM 819 O PRO A 51 3.488 10.909 1.740 1.00 0.00 O ATOM 820 CB PRO A 51 4.161 10.673 -1.124 1.00 0.00 C ATOM 821 CG PRO A 51 5.494 11.280 -0.850 1.00 0.00 C ATOM 822 CD PRO A 51 5.283 12.767 -0.872 1.00 0.00 C ATOM 0 HA PRO A 51 2.240 11.757 -1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.077 9.685 -0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.997 10.548 -2.194 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.880 10.955 0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.223 10.978 -1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.978 13.283 -0.209 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.428 13.180 -1.870 1.00 0.00 H new ATOM 830 N PRO A 52 1.353 10.991 1.027 1.00 0.00 N ATOM 831 CA PRO A 52 0.780 10.520 2.291 1.00 0.00 C ATOM 832 C PRO A 52 1.115 9.056 2.566 1.00 0.00 C ATOM 833 O PRO A 52 1.364 8.283 1.640 1.00 0.00 O ATOM 834 CB PRO A 52 -0.726 10.696 2.090 1.00 0.00 C ATOM 835 CG PRO A 52 -0.919 10.641 0.612 1.00 0.00 C ATOM 836 CD PRO A 52 0.314 11.255 0.016 1.00 0.00 C ATOM 0 HA PRO A 52 1.173 11.069 3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.287 9.908 2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.072 11.645 2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.047 9.613 0.272 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.812 11.189 0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.564 10.803 -0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.186 12.323 -0.159 1.00 0.00 H new ATOM 844 N PRO A 53 1.124 8.653 3.848 1.00 0.00 N ATOM 845 CA PRO A 53 1.427 7.273 4.239 1.00 0.00 C ATOM 846 C PRO A 53 0.393 6.286 3.712 1.00 0.00 C ATOM 847 O PRO A 53 -0.648 6.076 4.332 1.00 0.00 O ATOM 848 CB PRO A 53 1.395 7.312 5.770 1.00 0.00 C ATOM 849 CG PRO A 53 0.581 8.513 6.110 1.00 0.00 C ATOM 850 CD PRO A 53 0.835 9.507 5.013 1.00 0.00 C ATOM 0 HA PRO A 53 2.381 6.937 3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.949 6.405 6.178 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.401 7.387 6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.478 8.262 6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.870 8.919 7.079 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.031 10.146 4.840 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.673 10.163 5.250 1.00 0.00 H new ATOM 858 N ALA A 54 0.686 5.681 2.567 1.00 0.00 N ATOM 859 CA ALA A 54 -0.220 4.715 1.958 1.00 0.00 C ATOM 860 C ALA A 54 0.090 3.302 2.434 1.00 0.00 C ATOM 861 O ALA A 54 1.192 3.023 2.903 1.00 0.00 O ATOM 862 CB ALA A 54 -0.134 4.794 0.442 1.00 0.00 C ATOM 0 H ALA A 54 1.545 5.843 2.041 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.236 4.961 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.816 4.067 0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.410 5.796 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.885 4.575 0.124 1.00 0.00 H new ATOM 868 N LEU A 55 -0.890 2.412 2.313 1.00 0.00 N ATOM 869 CA LEU A 55 -0.716 1.028 2.735 1.00 0.00 C ATOM 870 C LEU A 55 -0.859 0.076 1.551 1.00 0.00 C ATOM 871 O LEU A 55 -1.951 -0.103 1.015 1.00 0.00 O ATOM 872 CB LEU A 55 -1.731 0.671 3.822 1.00 0.00 C ATOM 873 CG LEU A 55 -1.759 1.623 5.018 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.716 1.112 6.083 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.361 1.796 5.594 1.00 0.00 C ATOM 0 H LEU A 55 -1.810 2.624 1.927 1.00 0.00 H new ATOM 0 HA LEU A 55 0.290 0.922 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.725 0.644 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.516 -0.335 4.182 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.113 2.596 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.723 1.802 6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.720 1.039 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.392 0.128 6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.400 2.477 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.020 0.828 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.299 2.207 4.830 1.00 0.00 H new ATOM 887 N GLU A 56 0.255 -0.530 1.152 1.00 0.00 N ATOM 888 CA GLU A 56 0.263 -1.462 0.030 1.00 0.00 C ATOM 889 C GLU A 56 0.197 -2.906 0.513 1.00 0.00 C ATOM 890 O GLU A 56 0.966 -3.315 1.382 1.00 0.00 O ATOM 891 CB GLU A 56 1.521 -1.260 -0.816 1.00 0.00 C ATOM 892 CG GLU A 56 1.498 -2.020 -2.132 1.00 0.00 C ATOM 893 CD GLU A 56 2.880 -2.453 -2.578 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.638 -2.981 -1.737 1.00 0.00 O ATOM 895 OE2 GLU A 56 3.206 -2.264 -3.770 1.00 0.00 O ATOM 0 H GLU A 56 1.166 -0.392 1.590 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.619 -1.261 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.643 -0.197 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.391 -1.575 -0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.861 -2.899 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.052 -1.392 -2.903 1.00 0.00 H new ATOM 902 N CYS A 57 -0.719 -3.678 -0.061 1.00 0.00 N ATOM 903 CA CYS A 57 -0.875 -5.078 0.310 1.00 0.00 C ATOM 904 C CYS A 57 0.268 -5.913 -0.257 1.00 0.00 C ATOM 905 O CYS A 57 0.656 -5.746 -1.415 1.00 0.00 O ATOM 906 CB CYS A 57 -2.219 -5.615 -0.192 1.00 0.00 C ATOM 907 SG CYS A 57 -2.483 -7.390 0.126 1.00 0.00 S ATOM 0 H CYS A 57 -1.364 -3.358 -0.784 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.851 -5.150 1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.022 -5.050 0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.291 -5.435 -1.265 1.00 0.00 H new ATOM 912 N ARG A 58 0.803 -6.810 0.562 1.00 0.00 N ATOM 913 CA ARG A 58 1.900 -7.671 0.139 1.00 0.00 C ATOM 914 C ARG A 58 1.375 -9.021 -0.346 1.00 0.00 C ATOM 915 O ARG A 58 2.050 -10.043 -0.220 1.00 0.00 O ATOM 916 CB ARG A 58 2.888 -7.869 1.293 1.00 0.00 C ATOM 917 CG ARG A 58 2.309 -8.641 2.468 1.00 0.00 C ATOM 918 CD ARG A 58 3.352 -8.881 3.547 1.00 0.00 C ATOM 919 NE ARG A 58 3.730 -10.289 3.640 1.00 0.00 N ATOM 920 CZ ARG A 58 4.371 -10.819 4.679 1.00 0.00 C ATOM 921 NH1 ARG A 58 4.709 -10.061 5.717 1.00 0.00 N ATOM 922 NH2 ARG A 58 4.677 -12.109 4.683 1.00 0.00 N ATOM 0 H ARG A 58 0.495 -6.960 1.523 1.00 0.00 H new ATOM 0 HA ARG A 58 2.416 -7.188 -0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.767 -8.396 0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.226 -6.893 1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.469 -8.088 2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.919 -9.597 2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.237 -8.281 3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.963 -8.546 4.508 1.00 0.00 H new ATOM 0 HE ARG A 58 3.488 -10.903 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.477 -9.068 5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.200 -10.473 6.511 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.421 -12.696 3.889 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.168 -12.514 5.480 1.00 0.00 H new ATOM 936 N ARG A 59 0.165 -9.013 -0.898 1.00 0.00 N ATOM 937 CA ARG A 59 -0.460 -10.229 -1.404 1.00 0.00 C ATOM 938 C ARG A 59 -1.103 -9.987 -2.772 1.00 0.00 C ATOM 939 O ARG A 59 -0.565 -10.400 -3.800 1.00 0.00 O ATOM 940 CB ARG A 59 -1.508 -10.740 -0.411 1.00 0.00 C ATOM 941 CG ARG A 59 -0.961 -10.964 0.992 1.00 0.00 C ATOM 942 CD ARG A 59 -1.822 -10.284 2.048 1.00 0.00 C ATOM 943 NE ARG A 59 -2.465 -11.250 2.934 1.00 0.00 N ATOM 944 CZ ARG A 59 -1.821 -11.940 3.872 1.00 0.00 C ATOM 945 NH1 ARG A 59 -0.516 -11.774 4.048 1.00 0.00 N ATOM 946 NH2 ARG A 59 -2.481 -12.799 4.635 1.00 0.00 N ATOM 0 H ARG A 59 -0.404 -8.173 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 59 0.316 -10.985 -1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.329 -10.025 -0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.923 -11.676 -0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.911 -12.033 1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.058 -10.580 1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.205 -9.606 2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.584 -9.677 1.559 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.467 -11.405 2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.002 -11.115 3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.027 -12.305 4.768 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.484 -12.932 4.504 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.986 -13.327 5.354 1.00 0.00 H new ATOM 960 N CYS A 60 -2.255 -9.315 -2.779 1.00 0.00 N ATOM 961 CA CYS A 60 -2.961 -9.020 -4.025 1.00 0.00 C ATOM 962 C CYS A 60 -2.462 -7.718 -4.655 1.00 0.00 C ATOM 963 O CYS A 60 -2.836 -7.382 -5.779 1.00 0.00 O ATOM 964 CB CYS A 60 -4.471 -8.931 -3.781 1.00 0.00 C ATOM 965 SG CYS A 60 -4.992 -7.487 -2.796 1.00 0.00 S ATOM 0 H CYS A 60 -2.717 -8.966 -1.939 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.757 -9.837 -4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.981 -8.902 -4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.799 -9.839 -3.274 1.00 0.00 H new ATOM 970 N HIS A 61 -1.617 -6.987 -3.927 1.00 0.00 N ATOM 971 CA HIS A 61 -1.069 -5.726 -4.416 1.00 0.00 C ATOM 972 C HIS A 61 -2.152 -4.653 -4.512 1.00 0.00 C ATOM 973 O HIS A 61 -2.780 -4.481 -5.557 1.00 0.00 O ATOM 974 CB HIS A 61 -0.397 -5.920 -5.778 1.00 0.00 C ATOM 975 CG HIS A 61 1.092 -6.053 -5.694 1.00 0.00 C ATOM 976 ND1 HIS A 61 1.947 -4.971 -5.705 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.879 -7.150 -5.597 1.00 0.00 C ATOM 978 CE1 HIS A 61 3.194 -5.397 -5.618 1.00 0.00 C ATOM 979 NE2 HIS A 61 3.181 -6.715 -5.550 1.00 0.00 N ATOM 0 H HIS A 61 -1.298 -7.249 -2.994 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.319 -5.391 -3.699 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.807 -6.811 -6.254 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.643 -5.074 -6.420 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.545 -8.177 -5.563 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.075 -4.773 -5.605 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.004 -7.313 -5.475 1.00 0.00 H new ATOM 988 N ILE A 62 -2.355 -3.928 -3.416 1.00 0.00 N ATOM 989 CA ILE A 62 -3.349 -2.863 -3.368 1.00 0.00 C ATOM 990 C ILE A 62 -2.931 -1.785 -2.380 1.00 0.00 C ATOM 991 O ILE A 62 -2.520 -2.086 -1.259 1.00 0.00 O ATOM 992 CB ILE A 62 -4.739 -3.391 -2.963 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.693 -4.022 -1.569 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.239 -4.392 -3.986 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.646 -3.381 -0.584 1.00 0.00 C ATOM 0 H ILE A 62 -1.841 -4.061 -2.545 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.412 -2.446 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.432 -2.551 -2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.928 -5.083 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.678 -3.950 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.222 -4.757 -3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.311 -3.910 -4.961 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.544 -5.229 -4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.560 -3.878 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.398 -2.325 -0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.668 -3.477 -0.951 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.033 -0.530 -2.792 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.656 0.572 -1.924 1.00 0.00 C ATOM 1009 C LYS A 63 -3.879 1.219 -1.291 1.00 0.00 C ATOM 1010 O LYS A 63 -4.941 1.293 -1.905 1.00 0.00 O ATOM 1011 CB LYS A 63 -1.863 1.625 -2.694 1.00 0.00 C ATOM 1012 CG LYS A 63 -0.687 1.058 -3.471 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.143 0.348 -4.737 1.00 0.00 C ATOM 1014 CE LYS A 63 -0.039 0.310 -5.781 1.00 0.00 C ATOM 1015 NZ LYS A 63 -0.585 0.267 -7.165 1.00 0.00 N ATOM 0 H LYS A 63 -3.371 -0.252 -3.714 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.029 0.161 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.532 2.136 -3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.496 2.375 -1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.000 1.863 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.136 0.361 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.451 -0.669 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.016 0.857 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.597 1.188 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.591 -0.563 -5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.079 0.734 -7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.716 -0.723 -7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.500 0.760 -7.193 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.715 1.689 -0.060 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.799 2.337 0.666 1.00 0.00 C ATOM 1031 C CYS A 64 -4.246 3.244 1.760 1.00 0.00 C ATOM 1032 O CYS A 64 -3.570 2.778 2.677 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.719 1.287 1.291 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.743 0.385 0.106 1.00 0.00 S ATOM 0 H CYS A 64 -2.838 1.633 0.457 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.368 2.941 -0.041 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -5.110 0.572 1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.370 1.778 2.015 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.184 0.421 -1.067 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.530 4.544 1.656 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.053 5.527 2.640 1.00 0.00 C ATOM 1042 C HIS A 65 -4.081 4.968 4.052 1.00 0.00 C ATOM 1043 O HIS A 65 -5.088 4.412 4.493 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.887 6.822 2.630 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.933 6.891 1.564 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -6.021 7.867 0.594 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -6.976 6.072 1.362 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -7.113 7.605 -0.149 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.725 6.517 0.287 1.00 0.00 N ATOM 0 H HIS A 65 -5.088 4.944 0.901 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.028 5.754 2.346 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.371 6.932 3.601 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.212 7.670 2.512 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.376 8.646 0.463 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.198 5.195 1.951 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.444 8.202 -0.986 1.00 0.00 H new ATOM 1057 N LYS A 66 -2.988 5.164 4.771 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.905 4.728 6.152 1.00 0.00 C ATOM 1059 C LYS A 66 -4.113 5.261 6.914 1.00 0.00 C ATOM 1060 O LYS A 66 -4.594 4.643 7.864 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.607 5.220 6.795 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.502 4.899 8.279 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.224 4.136 8.600 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.486 2.989 9.562 1.00 0.00 C ATOM 1065 NZ LYS A 66 -0.856 3.477 10.920 1.00 0.00 N ATOM 0 H LYS A 66 -2.147 5.622 4.420 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.904 3.639 6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.761 4.772 6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.530 6.299 6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.528 5.824 8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.365 4.309 8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.210 3.747 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.508 4.817 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.287 2.363 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.403 2.363 9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.027 2.664 11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.081 4.054 11.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.719 4.054 10.858 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.597 6.426 6.474 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.749 7.070 7.093 1.00 0.00 C ATOM 1081 C ASP A 67 -6.911 6.098 7.269 1.00 0.00 C ATOM 1082 O ASP A 67 -7.524 6.048 8.335 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.196 8.267 6.252 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.472 9.544 6.633 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -5.667 10.020 7.771 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -4.711 10.067 5.792 1.00 0.00 O ATOM 0 H ASP A 67 -4.203 6.941 5.687 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.445 7.412 8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.019 8.053 5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.270 8.412 6.372 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.224 5.325 6.225 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.338 4.367 6.313 1.00 0.00 C ATOM 1093 C HIS A 68 -8.183 3.462 7.533 1.00 0.00 C ATOM 1094 O HIS A 68 -9.130 3.261 8.293 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.447 3.506 5.052 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.061 4.222 3.891 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.057 5.168 4.003 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.744 4.165 2.577 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.302 5.653 2.776 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.528 5.077 1.877 1.00 0.00 N ATOM 0 H HIS A 68 -6.738 5.339 5.329 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.252 4.953 6.411 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.452 3.161 4.771 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.040 2.620 5.277 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.525 5.449 4.865 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.000 3.515 2.141 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.036 6.414 2.554 1.00 0.00 H new ATOM 1108 N MET A 69 -6.984 2.913 7.711 1.00 0.00 N ATOM 1109 CA MET A 69 -6.710 2.027 8.835 1.00 0.00 C ATOM 1110 C MET A 69 -6.766 2.785 10.157 1.00 0.00 C ATOM 1111 O MET A 69 -7.484 2.395 11.078 1.00 0.00 O ATOM 1112 CB MET A 69 -5.338 1.371 8.672 1.00 0.00 C ATOM 1113 CG MET A 69 -5.008 0.369 9.766 1.00 0.00 C ATOM 1114 SD MET A 69 -6.123 -1.050 9.769 1.00 0.00 S ATOM 1115 CE MET A 69 -6.130 -1.479 8.030 1.00 0.00 C ATOM 0 H MET A 69 -6.189 3.067 7.091 1.00 0.00 H new ATOM 0 HA MET A 69 -7.478 1.254 8.848 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.298 0.868 7.706 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.573 2.147 8.659 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.983 0.021 9.637 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.056 0.866 10.735 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.077 -2.562 7.922 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.047 -1.113 7.569 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.270 -1.023 7.539 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.002 3.869 10.247 1.00 0.00 N ATOM 1126 CA ASP A 70 -5.962 4.683 11.458 1.00 0.00 C ATOM 1127 C ASP A 70 -7.360 5.151 11.857 1.00 0.00 C ATOM 1128 O ASP A 70 -7.621 5.423 13.029 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.046 5.891 11.254 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.123 6.122 12.435 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -3.116 5.396 12.552 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -4.411 7.031 13.243 1.00 0.00 O ATOM 0 H ASP A 70 -5.401 4.205 9.495 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.567 4.065 12.264 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.450 5.744 10.354 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.654 6.781 11.092 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.254 5.244 10.877 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.622 5.682 11.132 1.00 0.00 C ATOM 1139 C LYS A 71 -10.571 4.494 11.272 1.00 0.00 C ATOM 1140 O LYS A 71 -11.695 4.643 11.750 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.100 6.600 10.005 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.158 7.760 9.725 1.00 0.00 C ATOM 1143 CD LYS A 71 -9.577 9.011 10.479 1.00 0.00 C ATOM 1144 CE LYS A 71 -8.371 9.812 10.942 1.00 0.00 C ATOM 1145 NZ LYS A 71 -8.710 11.244 11.171 1.00 0.00 N ATOM 0 H LYS A 71 -8.056 5.022 9.901 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.626 6.231 12.073 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.220 6.012 9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.083 6.995 10.261 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.143 7.484 10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.142 7.967 8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.203 9.631 9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.183 8.732 11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.980 9.380 11.863 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.580 9.741 10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.861 11.756 11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.059 11.664 10.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.447 11.314 11.902 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.118 3.315 10.851 1.00 0.00 N ATOM 1160 CA LYS A 72 -10.937 2.111 10.935 1.00 0.00 C ATOM 1161 C LYS A 72 -12.210 2.266 10.106 1.00 0.00 C ATOM 1162 O LYS A 72 -13.300 2.448 10.650 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.293 1.809 12.392 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.445 0.709 13.009 1.00 0.00 C ATOM 1165 CD LYS A 72 -8.964 1.044 12.939 1.00 0.00 C ATOM 1166 CE LYS A 72 -8.224 0.563 14.177 1.00 0.00 C ATOM 1167 NZ LYS A 72 -8.069 1.645 15.188 1.00 0.00 N ATOM 0 H LYS A 72 -9.192 3.169 10.450 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.360 1.278 10.533 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.179 2.719 12.982 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.343 1.522 12.449 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.737 0.562 14.049 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.632 -0.231 12.490 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.528 0.585 12.052 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.838 2.122 12.835 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.764 -0.273 14.621 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.240 0.191 13.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.560 1.276 16.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.531 2.433 14.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.008 1.983 15.481 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.063 2.193 8.787 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.197 2.328 7.883 1.00 0.00 C ATOM 1183 C GLU A 73 -13.644 0.967 7.358 1.00 0.00 C ATOM 1184 O GLU A 73 -12.848 0.215 6.796 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.837 3.245 6.712 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.505 4.666 7.135 1.00 0.00 C ATOM 1187 CD GLU A 73 -13.077 5.705 6.190 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.265 6.059 6.345 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -12.338 6.162 5.294 1.00 0.00 O ATOM 0 H GLU A 73 -11.168 2.041 8.321 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.022 2.769 8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.984 2.824 6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.670 3.269 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.891 4.842 8.139 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.422 4.783 7.185 1.00 0.00 H new ATOM 1196 N GLU A 74 -14.924 0.659 7.545 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.482 -0.611 7.090 1.00 0.00 C ATOM 1198 C GLU A 74 -15.282 -0.790 5.588 1.00 0.00 C ATOM 1199 O GLU A 74 -15.293 -1.911 5.079 1.00 0.00 O ATOM 1200 CB GLU A 74 -16.971 -0.685 7.433 1.00 0.00 C ATOM 1201 CG GLU A 74 -17.829 0.296 6.647 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.298 0.209 7.013 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.859 -0.904 6.954 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -19.887 1.256 7.357 1.00 0.00 O ATOM 0 H GLU A 74 -15.595 1.272 8.009 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.956 -1.416 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.328 -1.698 7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.099 -0.494 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.473 1.310 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.712 0.102 5.581 1.00 0.00 H new ATOM 1211 N ILE A 75 -15.105 0.323 4.881 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.907 0.296 3.436 1.00 0.00 C ATOM 1213 C ILE A 75 -13.830 -0.712 3.038 1.00 0.00 C ATOM 1214 O ILE A 75 -13.876 -1.287 1.951 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.518 1.690 2.907 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.165 2.120 3.478 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.599 2.702 3.262 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.776 3.540 3.122 1.00 0.00 C ATOM 0 H ILE A 75 -15.095 1.258 5.288 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.854 -0.008 2.990 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.429 1.643 1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.191 2.021 4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.395 1.440 3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.316 3.684 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.544 2.398 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.712 2.749 4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.806 3.773 3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.717 3.640 2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.525 4.230 3.510 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.864 -0.919 3.928 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.779 -1.858 3.671 1.00 0.00 C ATOM 1232 C ILE A 76 -12.272 -3.300 3.749 1.00 0.00 C ATOM 1233 O ILE A 76 -12.969 -3.677 4.691 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.623 -1.664 4.672 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.129 -0.218 4.641 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.482 -2.626 4.364 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.044 0.074 5.654 1.00 0.00 C ATOM 0 H ILE A 76 -12.811 -0.450 4.832 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.414 -1.657 2.664 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.993 -1.881 5.674 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.753 0.007 3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.972 0.449 4.822 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.675 -2.475 5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.842 -3.652 4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.112 -2.440 3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.743 1.119 5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.422 -0.119 6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.184 -0.567 5.461 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.901 -4.103 2.758 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.303 -5.503 2.720 1.00 0.00 C ATOM 1251 C ALA A 77 -11.096 -6.427 2.816 1.00 0.00 C ATOM 1252 O ALA A 77 -9.958 -6.002 2.614 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.086 -5.803 1.453 1.00 0.00 C ATOM 0 H ALA A 77 -11.323 -3.808 1.971 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.944 -5.685 3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.376 -6.854 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.979 -5.179 1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.465 -5.592 0.583 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.332 -7.710 3.126 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.266 -8.704 3.247 1.00 0.00 C ATOM 1261 C PRO A 78 -9.536 -8.942 1.928 1.00 0.00 C ATOM 1262 O PRO A 78 -10.040 -8.601 0.858 1.00 0.00 O ATOM 1263 CB PRO A 78 -11.001 -9.976 3.681 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.419 -9.765 3.277 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.664 -8.289 3.381 1.00 0.00 C ATOM 0 HA PRO A 78 -9.496 -8.381 3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.581 -10.858 3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.917 -10.132 4.757 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.592 -10.118 2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.096 -10.320 3.927 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.398 -7.950 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.043 -8.012 4.365 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.349 -9.535 2.014 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.551 -9.824 0.828 1.00 0.00 C ATOM 1275 C CYS A 79 -8.266 -10.829 -0.073 1.00 0.00 C ATOM 1276 O CYS A 79 -8.979 -11.710 0.409 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.176 -10.363 1.229 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.925 -10.247 -0.094 1.00 0.00 S ATOM 0 H CYS A 79 -7.919 -9.825 2.892 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.417 -8.895 0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.821 -9.814 2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.278 -11.406 1.529 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.079 -10.686 -1.382 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.718 -11.576 -2.345 1.00 0.00 C ATOM 1285 C LYS A 80 -7.834 -12.779 -2.670 1.00 0.00 C ATOM 1286 O LYS A 80 -8.328 -13.897 -2.819 1.00 0.00 O ATOM 1287 CB LYS A 80 -9.050 -10.814 -3.630 1.00 0.00 C ATOM 1288 CG LYS A 80 -7.881 -10.019 -4.187 1.00 0.00 C ATOM 1289 CD LYS A 80 -8.151 -9.558 -5.611 1.00 0.00 C ATOM 1290 CE LYS A 80 -7.742 -10.615 -6.624 1.00 0.00 C ATOM 1291 NZ LYS A 80 -6.330 -10.447 -7.065 1.00 0.00 N ATOM 0 H LYS A 80 -7.492 -9.964 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.639 -11.945 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.389 -11.523 -4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.880 -10.135 -3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.693 -9.153 -3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.980 -10.632 -4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.211 -9.332 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.605 -8.635 -5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.870 -11.605 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.401 -10.561 -7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.973 -11.349 -7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.282 -9.721 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.746 -10.153 -6.256 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.529 -12.547 -2.785 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.592 -13.622 -3.100 1.00 0.00 C ATOM 1307 C VAL A 81 -5.353 -14.537 -1.898 1.00 0.00 C ATOM 1308 O VAL A 81 -4.673 -15.557 -2.013 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.239 -13.070 -3.589 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.427 -12.219 -4.837 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.552 -12.271 -2.491 1.00 0.00 C ATOM 0 H VAL A 81 -6.098 -11.630 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.051 -14.202 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.599 -13.915 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.460 -11.838 -5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.867 -12.826 -5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.088 -11.383 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.599 -11.891 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.187 -11.435 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.377 -12.914 -1.628 1.00 0.00 H new ATOM 1321 N TYR A 82 -5.913 -14.173 -0.745 1.00 0.00 N ATOM 1322 CA TYR A 82 -5.752 -14.967 0.469 1.00 0.00 C ATOM 1323 C TYR A 82 -6.128 -16.428 0.224 1.00 0.00 C ATOM 1324 O TYR A 82 -5.591 -17.332 0.866 1.00 0.00 O ATOM 1325 CB TYR A 82 -6.614 -14.393 1.596 1.00 0.00 C ATOM 1326 CG TYR A 82 -6.479 -15.140 2.904 1.00 0.00 C ATOM 1327 CD1 TYR A 82 -5.412 -14.895 3.759 1.00 0.00 C ATOM 1328 CD2 TYR A 82 -7.418 -16.091 3.282 1.00 0.00 C ATOM 1329 CE1 TYR A 82 -5.286 -15.576 4.955 1.00 0.00 C ATOM 1330 CE2 TYR A 82 -7.299 -16.777 4.477 1.00 0.00 C ATOM 1331 CZ TYR A 82 -6.232 -16.514 5.309 1.00 0.00 C ATOM 1332 OH TYR A 82 -6.110 -17.195 6.500 1.00 0.00 O ATOM 0 H TYR A 82 -6.481 -13.334 -0.628 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.703 -14.925 0.761 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.342 -13.349 1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.659 -14.407 1.286 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.669 -14.161 3.485 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.255 -16.298 2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.451 -15.374 5.609 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.037 -17.514 4.756 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.860 -17.819 6.599 1.00 0.00 H new ATOM 1342 N TYR A 83 -7.049 -16.651 -0.707 1.00 0.00 N ATOM 1343 CA TYR A 83 -7.492 -18.001 -1.036 1.00 0.00 C ATOM 1344 C TYR A 83 -6.882 -18.468 -2.353 1.00 0.00 C ATOM 1345 O TYR A 83 -6.561 -19.646 -2.518 1.00 0.00 O ATOM 1346 CB TYR A 83 -9.018 -18.053 -1.116 1.00 0.00 C ATOM 1347 CG TYR A 83 -9.680 -18.466 0.180 1.00 0.00 C ATOM 1348 CD1 TYR A 83 -9.881 -17.546 1.202 1.00 0.00 C ATOM 1349 CD2 TYR A 83 -10.102 -19.773 0.381 1.00 0.00 C ATOM 1350 CE1 TYR A 83 -10.484 -17.919 2.388 1.00 0.00 C ATOM 1351 CE2 TYR A 83 -10.707 -20.155 1.564 1.00 0.00 C ATOM 1352 CZ TYR A 83 -10.895 -19.223 2.564 1.00 0.00 C ATOM 1353 OH TYR A 83 -11.496 -19.598 3.743 1.00 0.00 O ATOM 0 H TYR A 83 -7.503 -15.915 -1.247 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.155 -18.671 -0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.392 -17.072 -1.408 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -9.309 -18.751 -1.901 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.561 -16.523 1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.955 -20.504 -0.400 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -10.633 -17.193 3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.030 -21.176 1.704 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.726 -20.550 3.705 1.00 0.00 H new ATOM 1363 N ASP A 84 -6.724 -17.537 -3.290 1.00 0.00 N ATOM 1364 CA ASP A 84 -6.152 -17.854 -4.593 1.00 0.00 C ATOM 1365 C ASP A 84 -4.734 -18.396 -4.446 1.00 0.00 C ATOM 1366 O ASP A 84 -3.952 -17.909 -3.630 1.00 0.00 O ATOM 1367 CB ASP A 84 -6.145 -16.613 -5.485 1.00 0.00 C ATOM 1368 CG ASP A 84 -5.975 -16.956 -6.953 1.00 0.00 C ATOM 1369 OD1 ASP A 84 -6.738 -17.807 -7.456 1.00 0.00 O ATOM 1370 OD2 ASP A 84 -5.077 -16.374 -7.597 1.00 0.00 O ATOM 0 H ASP A 84 -6.984 -16.558 -3.170 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.770 -18.623 -5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.078 -16.066 -5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.338 -15.950 -5.174 1.00 0.00 H new TER 1375 ASP A 84 HETATM 1376 ZN ZN A 601 -4.571 -8.016 -0.605 1.00 1.00 ZN HETATM 1377 ZN ZN A 602 -9.330 5.369 -0.106 1.00 1.00 ZN