USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 465 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 Single : A 1 THR N :NH3+ -154:sc= 1.04 (180deg=0.734) USER MOD Single : A 1 THR OG1 : rot 46:sc= 1.17 USER MOD Single : A 2 THR OG1 : rot 42:sc= 1.16 USER MOD Single : A 3 TYR OH : rot 180:sc= -0.76 USER MOD Single : A 4 LYS NZ :NH3+ -118:sc= -0.73 (180deg=-1.66) USER MOD Single : A 8 ASN : amide:sc= -1.69 X(o=-1.7,f=-2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -141:sc= 0.578 (180deg=0.0349) USER MOD Single : A 25 THR OG1 : rot -160:sc= 0.116 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -5.28 K(o=-5.3,f=-6.2!) USER MOD Single : A 37 LYS NZ :NH3+ 150:sc= -0.22 (180deg=-0.816) USER MOD Single : A 38 THR OG1 : rot 160:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 0:sc= -0.77 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 23:sc= 0.716 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.63! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.436 -12.822 4.684 1.00 0.00 N ATOM 2 CA THR A 1 4.797 -12.735 3.245 1.00 0.00 C ATOM 3 C THR A 1 5.227 -11.321 2.868 1.00 0.00 C ATOM 4 O THR A 1 5.255 -10.424 3.711 1.00 0.00 O ATOM 5 CB THR A 1 3.587 -13.161 2.412 1.00 0.00 C ATOM 6 OG1 THR A 1 2.394 -12.614 2.948 1.00 0.00 O ATOM 7 CG2 THR A 1 3.411 -14.661 2.336 1.00 0.00 C ATOM 0 H1 THR A 1 4.576 -13.797 5.019 1.00 0.00 H new ATOM 0 H2 THR A 1 5.040 -12.178 5.233 1.00 0.00 H new ATOM 0 H3 THR A 1 3.439 -12.553 4.809 1.00 0.00 H new ATOM 0 HA THR A 1 5.640 -13.397 3.047 1.00 0.00 H new ATOM 0 HB THR A 1 3.779 -12.784 1.408 1.00 0.00 H new ATOM 0 HG1 THR A 1 2.534 -11.667 3.158 1.00 0.00 H new ATOM 0 HG21 THR A 1 2.535 -14.894 1.731 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.295 -15.109 1.882 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.276 -15.063 3.340 1.00 0.00 H new ATOM 17 N THR A 2 5.559 -11.128 1.596 1.00 0.00 N ATOM 18 CA THR A 2 5.986 -9.823 1.107 1.00 0.00 C ATOM 19 C THR A 2 4.825 -9.079 0.454 1.00 0.00 C ATOM 20 O THR A 2 4.611 -9.182 -0.753 1.00 0.00 O ATOM 21 CB THR A 2 7.133 -9.979 0.107 1.00 0.00 C ATOM 22 OG1 THR A 2 6.679 -10.603 -1.082 1.00 0.00 O ATOM 23 CG2 THR A 2 8.287 -10.796 0.642 1.00 0.00 C ATOM 0 H THR A 2 5.540 -11.859 0.885 1.00 0.00 H new ATOM 0 HA THR A 2 6.334 -9.240 1.960 1.00 0.00 H new ATOM 0 HB THR A 2 7.487 -8.966 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.808 -10.231 -1.335 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.065 -10.867 -0.118 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.692 -10.315 1.532 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.937 -11.796 0.898 1.00 0.00 H new ATOM 31 N TYR A 3 4.078 -8.333 1.261 1.00 0.00 N ATOM 32 CA TYR A 3 2.938 -7.575 0.759 1.00 0.00 C ATOM 33 C TYR A 3 3.402 -6.351 -0.022 1.00 0.00 C ATOM 34 O TYR A 3 4.435 -5.759 0.291 1.00 0.00 O ATOM 35 CB TYR A 3 2.035 -7.145 1.917 1.00 0.00 C ATOM 36 CG TYR A 3 1.270 -8.290 2.546 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.888 -9.152 3.443 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.067 -8.506 2.242 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.193 -10.199 4.020 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.768 -9.550 2.814 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.135 -10.393 3.703 1.00 0.00 C ATOM 42 OH TYR A 3 -0.831 -11.432 4.276 1.00 0.00 O ATOM 0 H TYR A 3 4.241 -8.237 2.263 1.00 0.00 H new ATOM 0 HA TYR A 3 2.371 -8.219 0.087 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.644 -6.662 2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.326 -6.400 1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.928 -9.002 3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.567 -7.847 1.547 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.688 -10.861 4.715 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.808 -9.705 2.566 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.754 -11.428 3.947 1.00 0.00 H new ATOM 52 N LYS A 4 2.634 -5.977 -1.039 1.00 0.00 N ATOM 53 CA LYS A 4 2.968 -4.821 -1.864 1.00 0.00 C ATOM 54 C LYS A 4 1.802 -3.845 -1.934 1.00 0.00 C ATOM 55 O LYS A 4 0.639 -4.242 -1.849 1.00 0.00 O ATOM 56 CB LYS A 4 3.360 -5.271 -3.273 1.00 0.00 C ATOM 57 CG LYS A 4 4.712 -5.964 -3.335 1.00 0.00 C ATOM 58 CD LYS A 4 5.397 -5.725 -4.672 1.00 0.00 C ATOM 59 CE LYS A 4 6.114 -6.973 -5.162 1.00 0.00 C ATOM 60 NZ LYS A 4 5.205 -7.872 -5.926 1.00 0.00 N ATOM 0 H LYS A 4 1.776 -6.457 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 4 3.814 -4.311 -1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.596 -5.948 -3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.375 -4.403 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.347 -5.598 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.581 -7.035 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.658 -5.415 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.112 -4.908 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.954 -6.685 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.526 -7.513 -4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.129 -8.786 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.263 -7.436 -5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.588 -8.022 -6.881 1.00 0.00 H new ATOM 74 N LEU A 5 2.124 -2.566 -2.080 1.00 0.00 N ATOM 75 CA LEU A 5 1.109 -1.530 -2.151 1.00 0.00 C ATOM 76 C LEU A 5 1.383 -0.571 -3.309 1.00 0.00 C ATOM 77 O LEU A 5 2.429 0.075 -3.359 1.00 0.00 O ATOM 78 CB LEU A 5 1.053 -0.768 -0.824 1.00 0.00 C ATOM 79 CG LEU A 5 0.489 0.657 -0.900 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.850 0.669 -1.624 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.341 1.251 0.493 1.00 0.00 C ATOM 0 H LEU A 5 3.082 -2.224 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 5 0.143 -2.002 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.448 -1.342 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.061 -0.719 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 5 1.192 1.269 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.232 1.689 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.719 0.288 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.559 0.038 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.060 2.262 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.338 0.634 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.316 1.283 0.980 1.00 0.00 H new ATOM 93 N ILE A 6 0.432 -0.480 -4.233 1.00 0.00 N ATOM 94 CA ILE A 6 0.565 0.404 -5.385 1.00 0.00 C ATOM 95 C ILE A 6 -0.152 1.728 -5.135 1.00 0.00 C ATOM 96 O ILE A 6 -1.381 1.791 -5.132 1.00 0.00 O ATOM 97 CB ILE A 6 0.011 -0.253 -6.668 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.787 -1.531 -6.985 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.080 0.716 -7.841 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.504 -2.666 -6.026 1.00 0.00 C ATOM 0 H ILE A 6 -0.440 -1.008 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 6 1.629 0.594 -5.527 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.034 -0.512 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.543 -1.853 -7.997 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.854 -1.311 -6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.315 0.234 -8.735 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.512 1.603 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.117 1.006 -8.013 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.089 -3.539 -6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.775 -2.364 -5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.557 -2.914 -6.058 1.00 0.00 H new ATOM 112 N LEU A 7 0.629 2.782 -4.921 1.00 0.00 N ATOM 113 CA LEU A 7 0.075 4.106 -4.662 1.00 0.00 C ATOM 114 C LEU A 7 0.137 4.980 -5.910 1.00 0.00 C ATOM 115 O LEU A 7 1.182 5.086 -6.553 1.00 0.00 O ATOM 116 CB LEU A 7 0.834 4.781 -3.520 1.00 0.00 C ATOM 117 CG LEU A 7 0.858 3.996 -2.208 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.184 4.197 -1.489 1.00 0.00 C ATOM 119 CD2 LEU A 7 -0.302 4.414 -1.318 1.00 0.00 C ATOM 0 H LEU A 7 1.648 2.745 -4.922 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.970 3.984 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.861 4.956 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.387 5.758 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 7 0.751 2.936 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.182 3.631 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.999 3.849 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.322 5.256 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.270 3.846 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.225 5.478 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.243 4.218 -1.831 1.00 0.00 H new ATOM 131 N ASN A 8 -0.983 5.612 -6.241 1.00 0.00 N ATOM 132 CA ASN A 8 -1.049 6.485 -7.407 1.00 0.00 C ATOM 133 C ASN A 8 -1.570 7.864 -7.013 1.00 0.00 C ATOM 134 O ASN A 8 -2.773 8.060 -6.841 1.00 0.00 O ATOM 135 CB ASN A 8 -1.949 5.874 -8.487 1.00 0.00 C ATOM 136 CG ASN A 8 -1.441 6.147 -9.890 1.00 0.00 C ATOM 137 OD1 ASN A 8 -1.478 5.272 -10.755 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.963 7.359 -10.121 1.00 0.00 N ATOM 0 H ASN A 8 -1.856 5.537 -5.720 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.042 6.592 -7.810 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.017 4.797 -8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.957 6.275 -8.385 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.606 7.599 -11.046 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.952 8.054 -9.374 1.00 0.00 H new ATOM 145 N LEU A 9 -0.652 8.813 -6.875 1.00 0.00 N ATOM 146 CA LEU A 9 -1.012 10.179 -6.503 1.00 0.00 C ATOM 147 C LEU A 9 -0.696 11.149 -7.633 1.00 0.00 C ATOM 148 O LEU A 9 -0.006 10.799 -8.588 1.00 0.00 O ATOM 149 CB LEU A 9 -0.279 10.599 -5.225 1.00 0.00 C ATOM 150 CG LEU A 9 1.110 9.981 -5.032 1.00 0.00 C ATOM 151 CD1 LEU A 9 2.069 10.989 -4.427 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.020 8.746 -4.150 1.00 0.00 C ATOM 0 H LEU A 9 0.347 8.664 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.085 10.206 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.179 11.684 -5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.898 10.335 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 9 1.492 9.688 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.048 10.528 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.157 11.850 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.692 11.314 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.014 8.317 -4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.616 9.023 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.366 8.011 -4.619 1.00 0.00 H new ATOM 164 N LYS A 10 -1.211 12.368 -7.513 1.00 0.00 N ATOM 165 CA LYS A 10 -0.988 13.395 -8.524 1.00 0.00 C ATOM 166 C LYS A 10 0.503 13.614 -8.778 1.00 0.00 C ATOM 167 O LYS A 10 0.895 14.078 -9.854 1.00 0.00 O ATOM 168 CB LYS A 10 -1.639 14.714 -8.092 1.00 0.00 C ATOM 169 CG LYS A 10 -1.840 15.694 -9.230 1.00 0.00 C ATOM 170 CD LYS A 10 -2.448 16.999 -8.740 1.00 0.00 C ATOM 171 CE LYS A 10 -2.642 17.988 -9.877 1.00 0.00 C ATOM 172 NZ LYS A 10 -1.585 19.036 -9.886 1.00 0.00 N ATOM 0 H LYS A 10 -1.786 12.669 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.445 13.051 -9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.604 14.500 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.020 15.181 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.883 15.895 -9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.489 15.249 -9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.408 16.798 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.802 17.439 -7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.633 17.455 -10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.620 18.460 -9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.752 19.691 -10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.610 19.562 -8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.653 18.588 -9.999 1.00 0.00 H new ATOM 186 N GLN A 11 1.333 13.299 -7.792 1.00 0.00 N ATOM 187 CA GLN A 11 2.776 13.471 -7.919 1.00 0.00 C ATOM 188 C GLN A 11 3.480 12.121 -8.066 1.00 0.00 C ATOM 189 O GLN A 11 3.860 11.498 -7.076 1.00 0.00 O ATOM 190 CB GLN A 11 3.330 14.214 -6.704 1.00 0.00 C ATOM 191 CG GLN A 11 3.327 15.729 -6.868 1.00 0.00 C ATOM 192 CD GLN A 11 4.716 16.337 -6.770 1.00 0.00 C ATOM 193 OE1 GLN A 11 5.260 16.491 -5.676 1.00 0.00 O ATOM 194 NE2 GLN A 11 5.296 16.676 -7.911 1.00 0.00 N ATOM 0 H GLN A 11 1.032 12.922 -6.893 1.00 0.00 H new ATOM 0 HA GLN A 11 2.966 14.059 -8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.741 13.950 -5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.350 13.878 -6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.892 15.984 -7.834 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.688 16.171 -6.104 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.808 16.530 -8.794 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.231 17.083 -7.906 1.00 0.00 H new ATOM 203 N ALA A 12 3.655 11.681 -9.307 1.00 0.00 N ATOM 204 CA ALA A 12 4.321 10.420 -9.595 1.00 0.00 C ATOM 205 C ALA A 12 3.662 9.259 -8.843 1.00 0.00 C ATOM 206 O ALA A 12 2.771 9.466 -8.019 1.00 0.00 O ATOM 207 CB ALA A 12 5.797 10.507 -9.239 1.00 0.00 C ATOM 0 H ALA A 12 3.341 12.186 -10.136 1.00 0.00 H new ATOM 0 HA ALA A 12 4.225 10.228 -10.664 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.281 9.556 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.266 11.298 -9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.903 10.730 -8.177 1.00 0.00 H new ATOM 213 N LYS A 13 4.109 8.044 -9.138 1.00 0.00 N ATOM 214 CA LYS A 13 3.570 6.856 -8.499 1.00 0.00 C ATOM 215 C LYS A 13 4.607 6.223 -7.577 1.00 0.00 C ATOM 216 O LYS A 13 5.769 6.063 -7.950 1.00 0.00 O ATOM 217 CB LYS A 13 3.128 5.848 -9.560 1.00 0.00 C ATOM 218 CG LYS A 13 2.356 4.672 -8.993 1.00 0.00 C ATOM 219 CD LYS A 13 2.296 3.516 -9.978 1.00 0.00 C ATOM 220 CE LYS A 13 1.387 3.835 -11.154 1.00 0.00 C ATOM 221 NZ LYS A 13 0.706 2.617 -11.674 1.00 0.00 N ATOM 0 H LYS A 13 4.846 7.858 -9.818 1.00 0.00 H new ATOM 0 HA LYS A 13 2.707 7.147 -7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.508 6.357 -10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.008 5.476 -10.085 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.827 4.339 -8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.344 4.988 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.299 3.294 -10.342 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.936 2.622 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.639 4.566 -10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.972 4.293 -11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.095 2.876 -12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.419 1.929 -11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.127 2.194 -10.920 1.00 0.00 H new ATOM 235 N GLU A 14 4.180 5.862 -6.370 1.00 0.00 N ATOM 236 CA GLU A 14 5.075 5.245 -5.398 1.00 0.00 C ATOM 237 C GLU A 14 4.574 3.863 -4.995 1.00 0.00 C ATOM 238 O GLU A 14 3.368 3.631 -4.903 1.00 0.00 O ATOM 239 CB GLU A 14 5.210 6.136 -4.160 1.00 0.00 C ATOM 240 CG GLU A 14 6.651 6.437 -3.783 1.00 0.00 C ATOM 241 CD GLU A 14 6.868 7.894 -3.424 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.245 8.364 -2.449 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.660 8.556 -4.114 1.00 0.00 O ATOM 0 H GLU A 14 3.222 5.986 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 14 6.054 5.132 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.686 7.075 -4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.716 5.651 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.940 5.812 -2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.303 6.171 -4.615 1.00 0.00 H new ATOM 250 N GLU A 15 5.506 2.944 -4.756 1.00 0.00 N ATOM 251 CA GLU A 15 5.157 1.583 -4.367 1.00 0.00 C ATOM 252 C GLU A 15 5.694 1.253 -2.978 1.00 0.00 C ATOM 253 O GLU A 15 6.864 1.496 -2.678 1.00 0.00 O ATOM 254 CB GLU A 15 5.707 0.580 -5.382 1.00 0.00 C ATOM 255 CG GLU A 15 5.025 0.655 -6.738 1.00 0.00 C ATOM 256 CD GLU A 15 5.892 0.108 -7.856 1.00 0.00 C ATOM 257 OE1 GLU A 15 6.781 0.845 -8.333 1.00 0.00 O ATOM 258 OE2 GLU A 15 5.682 -1.057 -8.254 1.00 0.00 O ATOM 0 H GLU A 15 6.509 3.118 -4.825 1.00 0.00 H new ATOM 0 HA GLU A 15 4.069 1.513 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.775 0.754 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.594 -0.428 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.090 0.097 -6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.769 1.692 -6.955 1.00 0.00 H new ATOM 265 N ALA A 16 4.833 0.687 -2.141 1.00 0.00 N ATOM 266 CA ALA A 16 5.219 0.309 -0.789 1.00 0.00 C ATOM 267 C ALA A 16 5.282 -1.208 -0.659 1.00 0.00 C ATOM 268 O ALA A 16 4.437 -1.920 -1.200 1.00 0.00 O ATOM 269 CB ALA A 16 4.241 0.889 0.224 1.00 0.00 C ATOM 0 H ALA A 16 3.862 0.480 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 16 6.210 0.715 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.543 0.597 1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.239 1.976 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.240 0.509 0.022 1.00 0.00 H new ATOM 275 N ILE A 17 6.287 -1.702 0.055 1.00 0.00 N ATOM 276 CA ILE A 17 6.444 -3.140 0.240 1.00 0.00 C ATOM 277 C ILE A 17 7.155 -3.462 1.547 1.00 0.00 C ATOM 278 O ILE A 17 7.970 -2.681 2.035 1.00 0.00 O ATOM 279 CB ILE A 17 7.200 -3.791 -0.945 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.683 -3.398 -0.948 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.548 -3.396 -2.264 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.578 -4.435 -1.590 1.00 0.00 C ATOM 0 H ILE A 17 7.000 -1.134 0.512 1.00 0.00 H new ATOM 0 HA ILE A 17 5.439 -3.560 0.279 1.00 0.00 H new ATOM 0 HB ILE A 17 7.141 -4.873 -0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.799 -2.452 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.009 -3.233 0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.088 -3.859 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.512 -3.734 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.577 -2.312 -2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.612 -4.093 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.490 -5.377 -1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.277 -4.584 -2.627 1.00 0.00 H new ATOM 294 N LYS A 18 6.827 -4.617 2.110 1.00 0.00 N ATOM 295 CA LYS A 18 7.419 -5.049 3.367 1.00 0.00 C ATOM 296 C LYS A 18 7.082 -6.512 3.647 1.00 0.00 C ATOM 297 O LYS A 18 5.970 -6.966 3.377 1.00 0.00 O ATOM 298 CB LYS A 18 6.916 -4.150 4.498 1.00 0.00 C ATOM 299 CG LYS A 18 7.144 -4.716 5.895 1.00 0.00 C ATOM 300 CD LYS A 18 7.791 -3.690 6.815 1.00 0.00 C ATOM 301 CE LYS A 18 8.040 -4.261 8.201 1.00 0.00 C ATOM 302 NZ LYS A 18 7.118 -3.682 9.215 1.00 0.00 N ATOM 0 H LYS A 18 6.153 -5.272 1.715 1.00 0.00 H new ATOM 0 HA LYS A 18 8.504 -4.966 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.412 -3.182 4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.849 -3.973 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.192 -5.037 6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.778 -5.600 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.735 -3.357 6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.148 -2.813 6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.917 -5.344 8.175 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.071 -4.065 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.634 -3.525 10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.744 -2.776 8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.330 -4.340 9.384 1.00 0.00 H new ATOM 316 N GLU A 19 8.049 -7.244 4.190 1.00 0.00 N ATOM 317 CA GLU A 19 7.853 -8.654 4.505 1.00 0.00 C ATOM 318 C GLU A 19 7.624 -8.852 6.000 1.00 0.00 C ATOM 319 O GLU A 19 8.491 -8.548 6.816 1.00 0.00 O ATOM 320 CB GLU A 19 9.062 -9.474 4.049 1.00 0.00 C ATOM 321 CG GLU A 19 8.811 -10.973 4.049 1.00 0.00 C ATOM 322 CD GLU A 19 10.079 -11.772 4.281 1.00 0.00 C ATOM 323 OE1 GLU A 19 10.616 -11.726 5.410 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.539 -12.443 3.334 1.00 0.00 O ATOM 0 H GLU A 19 8.975 -6.885 4.421 1.00 0.00 H new ATOM 0 HA GLU A 19 6.967 -8.999 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.346 -9.161 3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.907 -9.255 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.084 -11.217 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.370 -11.265 3.096 1.00 0.00 H new ATOM 331 N ALA A 20 6.449 -9.362 6.351 1.00 0.00 N ATOM 332 CA ALA A 20 6.105 -9.600 7.748 1.00 0.00 C ATOM 333 C ALA A 20 5.603 -11.026 7.953 1.00 0.00 C ATOM 334 O ALA A 20 5.482 -11.794 6.999 1.00 0.00 O ATOM 335 CB ALA A 20 5.060 -8.598 8.212 1.00 0.00 C ATOM 0 H ALA A 20 5.718 -9.619 5.687 1.00 0.00 H new ATOM 0 HA ALA A 20 7.007 -9.470 8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.813 -8.788 9.257 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.455 -7.587 8.110 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.162 -8.700 7.602 1.00 0.00 H new ATOM 341 N VAL A 21 5.316 -11.372 9.204 1.00 0.00 N ATOM 342 CA VAL A 21 4.830 -12.708 9.535 1.00 0.00 C ATOM 343 C VAL A 21 3.303 -12.769 9.533 1.00 0.00 C ATOM 344 O VAL A 21 2.713 -13.662 10.140 1.00 0.00 O ATOM 345 CB VAL A 21 5.345 -13.165 10.913 1.00 0.00 C ATOM 346 CG1 VAL A 21 6.859 -13.315 10.893 1.00 0.00 C ATOM 347 CG2 VAL A 21 4.913 -12.187 11.995 1.00 0.00 C ATOM 0 H VAL A 21 5.411 -10.747 10.005 1.00 0.00 H new ATOM 0 HA VAL A 21 5.214 -13.377 8.765 1.00 0.00 H new ATOM 0 HB VAL A 21 4.909 -14.138 11.140 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.206 -13.638 11.875 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.141 -14.057 10.146 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.316 -12.357 10.644 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.286 -12.526 12.962 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.319 -11.199 11.776 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.825 -12.134 12.024 1.00 0.00 H new ATOM 357 N ASP A 22 2.666 -11.821 8.849 1.00 0.00 N ATOM 358 CA ASP A 22 1.210 -11.779 8.776 1.00 0.00 C ATOM 359 C ASP A 22 0.744 -10.625 7.893 1.00 0.00 C ATOM 360 O ASP A 22 1.534 -10.045 7.148 1.00 0.00 O ATOM 361 CB ASP A 22 0.614 -11.640 10.178 1.00 0.00 C ATOM 362 CG ASP A 22 -0.631 -12.486 10.365 1.00 0.00 C ATOM 363 OD1 ASP A 22 -1.622 -12.252 9.641 1.00 0.00 O ATOM 364 OD2 ASP A 22 -0.614 -13.382 11.235 1.00 0.00 O ATOM 0 H ASP A 22 3.136 -11.073 8.339 1.00 0.00 H new ATOM 0 HA ASP A 22 0.864 -12.713 8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.361 -11.929 10.917 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.370 -10.594 10.364 1.00 0.00 H new ATOM 369 N ALA A 23 -0.541 -10.294 7.980 1.00 0.00 N ATOM 370 CA ALA A 23 -1.104 -9.209 7.189 1.00 0.00 C ATOM 371 C ALA A 23 -1.360 -7.979 8.050 1.00 0.00 C ATOM 372 O ALA A 23 -1.159 -6.847 7.609 1.00 0.00 O ATOM 373 CB ALA A 23 -2.389 -9.653 6.512 1.00 0.00 C ATOM 0 H ALA A 23 -1.210 -10.763 8.591 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.377 -8.943 6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.795 -8.829 5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.181 -10.498 5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.115 -9.952 7.269 1.00 0.00 H new ATOM 379 N GLY A 24 -1.804 -8.206 9.284 1.00 0.00 N ATOM 380 CA GLY A 24 -2.075 -7.102 10.188 1.00 0.00 C ATOM 381 C GLY A 24 -0.923 -6.117 10.249 1.00 0.00 C ATOM 382 O GLY A 24 -1.124 -4.923 10.472 1.00 0.00 O ATOM 0 H GLY A 24 -1.980 -9.132 9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.978 -6.583 9.865 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.271 -7.492 11.187 1.00 0.00 H new ATOM 386 N THR A 25 0.287 -6.625 10.037 1.00 0.00 N ATOM 387 CA THR A 25 1.481 -5.793 10.056 1.00 0.00 C ATOM 388 C THR A 25 1.651 -5.079 8.719 1.00 0.00 C ATOM 389 O THR A 25 2.218 -3.988 8.654 1.00 0.00 O ATOM 390 CB THR A 25 2.720 -6.640 10.362 1.00 0.00 C ATOM 391 OG1 THR A 25 2.433 -8.020 10.218 1.00 0.00 O ATOM 392 CG2 THR A 25 3.257 -6.427 11.761 1.00 0.00 C ATOM 0 H THR A 25 0.465 -7.612 9.850 1.00 0.00 H new ATOM 0 HA THR A 25 1.367 -5.046 10.841 1.00 0.00 H new ATOM 0 HB THR A 25 3.475 -6.318 9.645 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.101 -8.546 10.706 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.134 -7.056 11.914 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.534 -5.381 11.889 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.490 -6.691 12.489 1.00 0.00 H new ATOM 400 N ALA A 26 1.149 -5.698 7.652 1.00 0.00 N ATOM 401 CA ALA A 26 1.240 -5.114 6.322 1.00 0.00 C ATOM 402 C ALA A 26 0.227 -3.988 6.161 1.00 0.00 C ATOM 403 O ALA A 26 0.535 -2.938 5.597 1.00 0.00 O ATOM 404 CB ALA A 26 1.025 -6.181 5.258 1.00 0.00 C ATOM 0 H ALA A 26 0.677 -6.601 7.686 1.00 0.00 H new ATOM 0 HA ALA A 26 2.239 -4.697 6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.096 -5.728 4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.787 -6.954 5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.038 -6.626 5.383 1.00 0.00 H new ATOM 410 N GLU A 27 -0.981 -4.213 6.670 1.00 0.00 N ATOM 411 CA GLU A 27 -2.040 -3.213 6.593 1.00 0.00 C ATOM 412 C GLU A 27 -1.688 -1.996 7.442 1.00 0.00 C ATOM 413 O GLU A 27 -1.602 -0.878 6.937 1.00 0.00 O ATOM 414 CB GLU A 27 -3.370 -3.810 7.058 1.00 0.00 C ATOM 415 CG GLU A 27 -4.550 -2.866 6.894 1.00 0.00 C ATOM 416 CD GLU A 27 -5.770 -3.554 6.315 1.00 0.00 C ATOM 417 OE1 GLU A 27 -5.921 -4.774 6.530 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.575 -2.872 5.646 1.00 0.00 O ATOM 0 H GLU A 27 -1.250 -5.078 7.139 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.140 -2.897 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.565 -4.723 6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.285 -4.093 8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.805 -2.437 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.262 -2.039 6.245 1.00 0.00 H new ATOM 425 N LYS A 28 -1.484 -2.225 8.738 1.00 0.00 N ATOM 426 CA LYS A 28 -1.139 -1.145 9.659 1.00 0.00 C ATOM 427 C LYS A 28 0.114 -0.403 9.196 1.00 0.00 C ATOM 428 O LYS A 28 0.202 0.818 9.320 1.00 0.00 O ATOM 429 CB LYS A 28 -0.929 -1.699 11.071 1.00 0.00 C ATOM 430 CG LYS A 28 -2.062 -1.364 12.029 1.00 0.00 C ATOM 431 CD LYS A 28 -2.306 -2.492 13.019 1.00 0.00 C ATOM 432 CE LYS A 28 -3.787 -2.650 13.327 1.00 0.00 C ATOM 433 NZ LYS A 28 -4.028 -2.909 14.774 1.00 0.00 N ATOM 0 H LYS A 28 -1.551 -3.145 9.172 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.968 -0.437 9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.819 -2.782 11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.004 -1.304 11.472 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.824 -0.448 12.570 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.974 -1.171 11.463 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.916 -3.425 12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.760 -2.293 13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.319 -1.747 13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.195 -3.472 12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.049 -3.011 14.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.542 -3.784 15.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.662 -2.113 15.335 1.00 0.00 H new ATOM 447 N TYR A 29 1.082 -1.144 8.660 1.00 0.00 N ATOM 448 CA TYR A 29 2.324 -0.541 8.180 1.00 0.00 C ATOM 449 C TYR A 29 2.068 0.259 6.905 1.00 0.00 C ATOM 450 O TYR A 29 2.474 1.417 6.794 1.00 0.00 O ATOM 451 CB TYR A 29 3.385 -1.619 7.924 1.00 0.00 C ATOM 452 CG TYR A 29 4.644 -1.093 7.268 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.694 -0.864 5.898 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.782 -0.827 8.019 1.00 0.00 C ATOM 455 CE1 TYR A 29 5.842 -0.383 5.297 1.00 0.00 C ATOM 456 CE2 TYR A 29 6.933 -0.346 7.425 1.00 0.00 C ATOM 457 CZ TYR A 29 6.959 -0.126 6.064 1.00 0.00 C ATOM 458 OH TYR A 29 8.104 0.351 5.469 1.00 0.00 O ATOM 0 H TYR A 29 1.031 -2.157 8.548 1.00 0.00 H new ATOM 0 HA TYR A 29 2.696 0.135 8.950 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.649 -2.088 8.872 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.955 -2.396 7.292 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.822 -1.065 5.293 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.767 -0.999 9.085 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.864 -0.209 4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.808 -0.143 8.024 1.00 0.00 H new ATOM 0 HH TYR A 29 8.797 0.480 6.150 1.00 0.00 H new ATOM 468 N PHE A 30 1.377 -0.360 5.952 1.00 0.00 N ATOM 469 CA PHE A 30 1.055 0.301 4.694 1.00 0.00 C ATOM 470 C PHE A 30 0.195 1.529 4.964 1.00 0.00 C ATOM 471 O PHE A 30 0.413 2.595 4.388 1.00 0.00 O ATOM 472 CB PHE A 30 0.328 -0.660 3.743 1.00 0.00 C ATOM 473 CG PHE A 30 1.234 -1.525 2.899 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.616 -1.379 2.928 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.689 -2.494 2.069 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.429 -2.181 2.148 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.501 -3.298 1.288 1.00 0.00 C ATOM 478 CZ PHE A 30 2.871 -3.139 1.328 1.00 0.00 C ATOM 0 H PHE A 30 1.030 -1.316 6.028 1.00 0.00 H new ATOM 0 HA PHE A 30 1.984 0.612 4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.323 -1.307 4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.314 -0.078 3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.060 -0.630 3.567 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.383 -2.623 2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.501 -2.057 2.181 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.063 -4.049 0.648 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.506 -3.764 0.718 1.00 0.00 H new ATOM 488 N LYS A 31 -0.781 1.372 5.853 1.00 0.00 N ATOM 489 CA LYS A 31 -1.666 2.472 6.210 1.00 0.00 C ATOM 490 C LYS A 31 -0.875 3.654 6.769 1.00 0.00 C ATOM 491 O LYS A 31 -1.219 4.810 6.526 1.00 0.00 O ATOM 492 CB LYS A 31 -2.702 2.007 7.235 1.00 0.00 C ATOM 493 CG LYS A 31 -4.012 2.772 7.167 1.00 0.00 C ATOM 494 CD LYS A 31 -3.964 4.039 8.005 1.00 0.00 C ATOM 495 CE LYS A 31 -4.646 3.849 9.351 1.00 0.00 C ATOM 496 NZ LYS A 31 -3.711 4.088 10.485 1.00 0.00 N ATOM 0 H LYS A 31 -0.978 0.496 6.337 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.179 2.799 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.902 0.947 7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.282 2.110 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.231 3.029 6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.825 2.135 7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.926 4.333 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.448 4.852 7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.493 4.531 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.045 2.837 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.214 3.949 11.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.916 3.421 10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.350 5.062 10.438 1.00 0.00 H new ATOM 510 N LEU A 32 0.185 3.360 7.522 1.00 0.00 N ATOM 511 CA LEU A 32 1.014 4.402 8.114 1.00 0.00 C ATOM 512 C LEU A 32 1.726 5.222 7.038 1.00 0.00 C ATOM 513 O LEU A 32 1.815 6.448 7.137 1.00 0.00 O ATOM 514 CB LEU A 32 2.031 3.783 9.077 1.00 0.00 C ATOM 515 CG LEU A 32 1.457 3.226 10.391 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.120 3.895 11.580 1.00 0.00 C ATOM 517 CD2 LEU A 32 -0.057 3.402 10.466 1.00 0.00 C ATOM 0 H LEU A 32 0.487 2.409 7.734 1.00 0.00 H new ATOM 0 HA LEU A 32 0.364 5.077 8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.550 2.977 8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.779 4.538 9.320 1.00 0.00 H new ATOM 0 HG LEU A 32 1.669 2.157 10.416 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.704 3.491 12.503 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.193 3.706 11.552 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.940 4.969 11.540 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.424 2.996 11.409 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.303 4.462 10.407 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.526 2.874 9.636 1.00 0.00 H new ATOM 529 N ILE A 33 2.229 4.547 6.006 1.00 0.00 N ATOM 530 CA ILE A 33 2.923 5.231 4.924 1.00 0.00 C ATOM 531 C ILE A 33 1.935 5.962 4.024 1.00 0.00 C ATOM 532 O ILE A 33 2.261 6.994 3.435 1.00 0.00 O ATOM 533 CB ILE A 33 3.763 4.251 4.077 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.570 5.011 3.023 1.00 0.00 C ATOM 535 CG2 ILE A 33 2.872 3.206 3.418 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.466 6.083 3.603 1.00 0.00 C ATOM 0 H ILE A 33 2.168 3.534 5.899 1.00 0.00 H new ATOM 0 HA ILE A 33 3.596 5.955 5.383 1.00 0.00 H new ATOM 0 HB ILE A 33 4.458 3.736 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.181 4.302 2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.883 5.469 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.485 2.526 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.343 2.642 4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.149 3.701 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.007 6.580 2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.860 6.814 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.178 5.629 4.292 1.00 0.00 H new ATOM 548 N ALA A 34 0.725 5.425 3.928 1.00 0.00 N ATOM 549 CA ALA A 34 -0.313 6.032 3.105 1.00 0.00 C ATOM 550 C ALA A 34 -0.668 7.422 3.622 1.00 0.00 C ATOM 551 O ALA A 34 -0.386 8.427 2.969 1.00 0.00 O ATOM 552 CB ALA A 34 -1.548 5.146 3.072 1.00 0.00 C ATOM 0 H ALA A 34 0.439 4.572 4.409 1.00 0.00 H new ATOM 0 HA ALA A 34 0.070 6.133 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.314 5.613 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.287 4.174 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.929 5.015 4.085 1.00 0.00 H new ATOM 558 N ASN A 35 -1.287 7.473 4.798 1.00 0.00 N ATOM 559 CA ASN A 35 -1.677 8.746 5.396 1.00 0.00 C ATOM 560 C ASN A 35 -0.471 9.665 5.591 1.00 0.00 C ATOM 561 O ASN A 35 -0.624 10.879 5.721 1.00 0.00 O ATOM 562 CB ASN A 35 -2.397 8.517 6.732 1.00 0.00 C ATOM 563 CG ASN A 35 -1.722 7.464 7.605 1.00 0.00 C ATOM 564 OD1 ASN A 35 -2.348 6.469 7.970 1.00 0.00 O ATOM 565 ND2 ASN A 35 -0.450 7.669 7.956 1.00 0.00 N ATOM 0 H ASN A 35 -1.528 6.652 5.353 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.364 9.238 4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.442 9.459 7.279 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.425 8.213 6.536 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.033 6.990 8.544 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.039 8.505 7.636 1.00 0.00 H new ATOM 572 N ALA A 36 0.731 9.085 5.610 1.00 0.00 N ATOM 573 CA ALA A 36 1.949 9.864 5.790 1.00 0.00 C ATOM 574 C ALA A 36 2.443 10.440 4.465 1.00 0.00 C ATOM 575 O ALA A 36 3.162 11.441 4.446 1.00 0.00 O ATOM 576 CB ALA A 36 3.031 9.006 6.428 1.00 0.00 C ATOM 0 H ALA A 36 0.883 8.082 5.503 1.00 0.00 H new ATOM 0 HA ALA A 36 1.719 10.699 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.936 9.599 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.688 8.651 7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.245 8.153 5.785 1.00 0.00 H new ATOM 582 N LYS A 37 2.063 9.805 3.361 1.00 0.00 N ATOM 583 CA LYS A 37 2.480 10.261 2.036 1.00 0.00 C ATOM 584 C LYS A 37 1.354 11.008 1.326 1.00 0.00 C ATOM 585 O LYS A 37 1.601 11.915 0.546 1.00 0.00 O ATOM 586 CB LYS A 37 2.934 9.074 1.186 1.00 0.00 C ATOM 587 CG LYS A 37 4.215 8.423 1.682 1.00 0.00 C ATOM 588 CD LYS A 37 5.230 8.256 0.561 1.00 0.00 C ATOM 589 CE LYS A 37 5.810 9.593 0.133 1.00 0.00 C ATOM 590 NZ LYS A 37 6.255 10.405 1.299 1.00 0.00 N ATOM 0 H LYS A 37 1.469 8.976 3.355 1.00 0.00 H new ATOM 0 HA LYS A 37 3.315 10.950 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.141 8.327 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.081 9.409 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.648 9.030 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.985 7.449 2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.034 7.598 0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.755 7.774 -0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.654 9.425 -0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.062 10.149 -0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.052 11.011 1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.468 10.999 1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.557 9.773 2.067 1.00 0.00 H new ATOM 604 N THR A 38 0.115 10.610 1.601 1.00 0.00 N ATOM 605 CA THR A 38 -1.045 11.243 0.982 1.00 0.00 C ATOM 606 C THR A 38 -2.327 10.852 1.708 1.00 0.00 C ATOM 607 O THR A 38 -2.292 10.139 2.709 1.00 0.00 O ATOM 608 CB THR A 38 -1.144 10.843 -0.489 1.00 0.00 C ATOM 609 OG1 THR A 38 -0.625 9.546 -0.700 1.00 0.00 O ATOM 610 CG2 THR A 38 -0.399 11.784 -1.413 1.00 0.00 C ATOM 0 H THR A 38 -0.111 9.854 2.247 1.00 0.00 H new ATOM 0 HA THR A 38 -0.919 12.323 1.053 1.00 0.00 H new ATOM 0 HB THR A 38 -2.208 10.883 -0.723 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.976 9.186 -1.541 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.508 11.445 -2.443 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.809 12.789 -1.317 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.658 11.796 -1.145 1.00 0.00 H new ATOM 618 N VAL A 39 -3.460 11.325 1.199 1.00 0.00 N ATOM 619 CA VAL A 39 -4.752 11.023 1.802 1.00 0.00 C ATOM 620 C VAL A 39 -5.875 11.087 0.767 1.00 0.00 C ATOM 621 O VAL A 39 -6.774 11.922 0.860 1.00 0.00 O ATOM 622 CB VAL A 39 -5.067 11.991 2.961 1.00 0.00 C ATOM 623 CG1 VAL A 39 -5.134 13.425 2.460 1.00 0.00 C ATOM 624 CG2 VAL A 39 -6.365 11.598 3.651 1.00 0.00 C ATOM 0 H VAL A 39 -3.509 11.919 0.371 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.691 10.008 2.195 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.261 11.924 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.357 14.091 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.176 13.702 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.917 13.511 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.569 12.293 4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.184 11.631 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.273 10.588 4.051 1.00 0.00 H new ATOM 634 N GLU A 40 -5.814 10.196 -0.218 1.00 0.00 N ATOM 635 CA GLU A 40 -6.824 10.147 -1.271 1.00 0.00 C ATOM 636 C GLU A 40 -6.518 9.032 -2.264 1.00 0.00 C ATOM 637 O GLU A 40 -5.437 8.988 -2.848 1.00 0.00 O ATOM 638 CB GLU A 40 -6.897 11.491 -2.003 1.00 0.00 C ATOM 639 CG GLU A 40 -8.313 12.026 -2.144 1.00 0.00 C ATOM 640 CD GLU A 40 -8.548 13.275 -1.322 1.00 0.00 C ATOM 641 OE1 GLU A 40 -7.645 14.146 -1.293 1.00 0.00 O ATOM 642 OE2 GLU A 40 -9.630 13.400 -0.716 1.00 0.00 O ATOM 0 H GLU A 40 -5.076 9.498 -0.309 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.788 9.943 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.292 12.222 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.458 11.381 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.512 12.243 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.021 11.256 -1.838 1.00 0.00 H new ATOM 649 N GLY A 41 -7.478 8.131 -2.453 1.00 0.00 N ATOM 650 CA GLY A 41 -7.284 7.031 -3.382 1.00 0.00 C ATOM 651 C GLY A 41 -8.304 5.923 -3.198 1.00 0.00 C ATOM 652 O GLY A 41 -9.084 5.940 -2.246 1.00 0.00 O ATOM 0 H GLY A 41 -8.383 8.142 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.343 7.408 -4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.282 6.622 -3.251 1.00 0.00 H new ATOM 656 N VAL A 42 -8.289 4.955 -4.109 1.00 0.00 N ATOM 657 CA VAL A 42 -9.207 3.827 -4.043 1.00 0.00 C ATOM 658 C VAL A 42 -8.483 2.582 -3.558 1.00 0.00 C ATOM 659 O VAL A 42 -7.670 1.998 -4.277 1.00 0.00 O ATOM 660 CB VAL A 42 -9.863 3.537 -5.407 1.00 0.00 C ATOM 661 CG1 VAL A 42 -11.040 2.586 -5.242 1.00 0.00 C ATOM 662 CG2 VAL A 42 -10.304 4.832 -6.077 1.00 0.00 C ATOM 0 H VAL A 42 -7.649 4.931 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.993 4.095 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.124 3.057 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.491 2.393 -6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.692 1.648 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.781 3.036 -4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.765 4.606 -7.039 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.026 5.344 -5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.437 5.475 -6.232 1.00 0.00 H new ATOM 672 N TRP A 43 -8.779 2.202 -2.325 1.00 0.00 N ATOM 673 CA TRP A 43 -8.177 1.054 -1.691 1.00 0.00 C ATOM 674 C TRP A 43 -8.659 -0.250 -2.322 1.00 0.00 C ATOM 675 O TRP A 43 -9.862 -0.488 -2.439 1.00 0.00 O ATOM 676 CB TRP A 43 -8.544 1.092 -0.213 1.00 0.00 C ATOM 677 CG TRP A 43 -7.513 1.771 0.651 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.358 3.122 0.821 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.494 1.149 1.460 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.319 3.375 1.677 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.774 2.188 2.083 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.120 -0.179 1.720 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.710 1.951 2.945 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.043 -0.413 2.593 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.361 0.654 3.188 1.00 0.00 C ATOM 0 H TRP A 43 -9.452 2.692 -1.735 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.095 1.091 -1.822 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.498 1.607 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.688 0.072 0.143 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.967 3.878 0.348 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.002 4.301 1.966 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.647 -1.002 1.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.176 2.768 3.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.739 -1.427 2.807 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.538 0.446 3.856 1.00 0.00 H new ATOM 696 N THR A 44 -7.713 -1.095 -2.710 1.00 0.00 N ATOM 697 CA THR A 44 -8.031 -2.386 -3.314 1.00 0.00 C ATOM 698 C THR A 44 -6.922 -3.390 -3.022 1.00 0.00 C ATOM 699 O THR A 44 -5.802 -3.002 -2.702 1.00 0.00 O ATOM 700 CB THR A 44 -8.250 -2.243 -4.828 1.00 0.00 C ATOM 701 OG1 THR A 44 -8.862 -3.407 -5.353 1.00 0.00 O ATOM 702 CG2 THR A 44 -6.980 -2.001 -5.618 1.00 0.00 C ATOM 0 H THR A 44 -6.714 -0.910 -2.617 1.00 0.00 H new ATOM 0 HA THR A 44 -8.958 -2.754 -2.875 1.00 0.00 H new ATOM 0 HB THR A 44 -8.887 -1.365 -4.936 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.996 -3.299 -6.318 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.222 -1.912 -6.677 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.508 -1.081 -5.275 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.295 -2.836 -5.471 1.00 0.00 H new ATOM 710 N TYR A 45 -7.234 -4.677 -3.128 1.00 0.00 N ATOM 711 CA TYR A 45 -6.242 -5.718 -2.867 1.00 0.00 C ATOM 712 C TYR A 45 -6.413 -6.902 -3.814 1.00 0.00 C ATOM 713 O TYR A 45 -7.532 -7.287 -4.156 1.00 0.00 O ATOM 714 CB TYR A 45 -6.316 -6.179 -1.400 1.00 0.00 C ATOM 715 CG TYR A 45 -5.753 -7.564 -1.148 1.00 0.00 C ATOM 716 CD1 TYR A 45 -6.494 -8.700 -1.448 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.485 -7.731 -0.608 1.00 0.00 C ATOM 718 CE1 TYR A 45 -5.985 -9.964 -1.216 1.00 0.00 C ATOM 719 CE2 TYR A 45 -3.969 -8.992 -0.374 1.00 0.00 C ATOM 720 CZ TYR A 45 -4.724 -10.104 -0.680 1.00 0.00 C ATOM 721 OH TYR A 45 -4.215 -11.362 -0.448 1.00 0.00 O ATOM 0 H TYR A 45 -8.157 -5.024 -3.390 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.256 -5.291 -3.048 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.777 -5.463 -0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.357 -6.160 -1.078 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.483 -8.594 -1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.892 -6.861 -0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.573 -10.838 -1.454 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.980 -9.105 0.046 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.874 -12.036 -0.717 1.00 0.00 H new ATOM 731 N LYS A 46 -5.287 -7.478 -4.224 1.00 0.00 N ATOM 732 CA LYS A 46 -5.288 -8.626 -5.121 1.00 0.00 C ATOM 733 C LYS A 46 -4.597 -9.813 -4.468 1.00 0.00 C ATOM 734 O LYS A 46 -3.519 -9.680 -3.888 1.00 0.00 O ATOM 735 CB LYS A 46 -4.600 -8.275 -6.442 1.00 0.00 C ATOM 736 CG LYS A 46 -5.056 -9.134 -7.610 1.00 0.00 C ATOM 737 CD LYS A 46 -5.258 -8.302 -8.863 1.00 0.00 C ATOM 738 CE LYS A 46 -3.939 -7.761 -9.393 1.00 0.00 C ATOM 739 NZ LYS A 46 -3.411 -8.577 -10.517 1.00 0.00 N ATOM 0 H LYS A 46 -4.357 -7.165 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.323 -8.897 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.791 -7.228 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.522 -8.383 -6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.316 -9.911 -7.803 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.988 -9.638 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.738 -8.909 -9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.931 -7.473 -8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.077 -6.732 -9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.206 -7.739 -8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.512 -8.173 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.254 -9.553 -10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.098 -8.577 -11.298 1.00 0.00 H new ATOM 753 N ASP A 47 -5.235 -10.971 -4.562 1.00 0.00 N ATOM 754 CA ASP A 47 -4.701 -12.191 -3.978 1.00 0.00 C ATOM 755 C ASP A 47 -3.612 -12.808 -4.856 1.00 0.00 C ATOM 756 O ASP A 47 -2.992 -13.801 -4.477 1.00 0.00 O ATOM 757 CB ASP A 47 -5.829 -13.196 -3.764 1.00 0.00 C ATOM 758 CG ASP A 47 -6.646 -13.427 -5.020 1.00 0.00 C ATOM 759 OD1 ASP A 47 -6.200 -14.208 -5.880 1.00 0.00 O ATOM 760 OD2 ASP A 47 -7.736 -12.826 -5.140 1.00 0.00 O ATOM 0 H ASP A 47 -6.128 -11.090 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.249 -11.935 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.408 -14.144 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.484 -12.839 -2.969 1.00 0.00 H new ATOM 765 N GLU A 48 -3.382 -12.221 -6.029 1.00 0.00 N ATOM 766 CA GLU A 48 -2.358 -12.738 -6.941 1.00 0.00 C ATOM 767 C GLU A 48 -1.022 -12.922 -6.229 1.00 0.00 C ATOM 768 O GLU A 48 -0.277 -13.857 -6.510 1.00 0.00 O ATOM 769 CB GLU A 48 -2.155 -11.844 -8.188 1.00 0.00 C ATOM 770 CG GLU A 48 -1.566 -10.469 -7.893 1.00 0.00 C ATOM 771 CD GLU A 48 -0.422 -10.116 -8.824 1.00 0.00 C ATOM 772 OE1 GLU A 48 0.368 -11.020 -9.157 1.00 0.00 O ATOM 773 OE2 GLU A 48 -0.318 -8.932 -9.209 1.00 0.00 O ATOM 0 H GLU A 48 -3.881 -11.399 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.727 -13.706 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.500 -12.363 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.116 -11.714 -8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.348 -9.715 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.213 -10.442 -6.862 1.00 0.00 H new ATOM 780 N ILE A 49 -0.730 -12.022 -5.293 1.00 0.00 N ATOM 781 CA ILE A 49 0.515 -12.085 -4.531 1.00 0.00 C ATOM 782 C ILE A 49 0.432 -11.231 -3.268 1.00 0.00 C ATOM 783 O ILE A 49 1.444 -10.722 -2.787 1.00 0.00 O ATOM 784 CB ILE A 49 1.719 -11.612 -5.371 1.00 0.00 C ATOM 785 CG1 ILE A 49 1.382 -10.314 -6.110 1.00 0.00 C ATOM 786 CG2 ILE A 49 2.144 -12.691 -6.344 1.00 0.00 C ATOM 787 CD1 ILE A 49 2.360 -9.192 -5.836 1.00 0.00 C ATOM 0 H ILE A 49 -1.338 -11.241 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 49 0.660 -13.130 -4.256 1.00 0.00 H new ATOM 0 HB ILE A 49 2.553 -11.413 -4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.358 -10.511 -7.182 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.381 -9.991 -5.823 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.995 -12.340 -6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.428 -13.587 -5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.316 -12.924 -7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.060 -8.304 -6.392 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.367 -8.968 -4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.359 -9.495 -6.149 1.00 0.00 H new ATOM 799 N LYS A 50 -0.777 -11.078 -2.736 1.00 0.00 N ATOM 800 CA LYS A 50 -0.984 -10.286 -1.527 1.00 0.00 C ATOM 801 C LYS A 50 -0.462 -8.863 -1.708 1.00 0.00 C ATOM 802 O LYS A 50 0.679 -8.560 -1.357 1.00 0.00 O ATOM 803 CB LYS A 50 -0.291 -10.947 -0.335 1.00 0.00 C ATOM 804 CG LYS A 50 -1.063 -12.121 0.247 1.00 0.00 C ATOM 805 CD LYS A 50 -0.420 -13.451 -0.118 1.00 0.00 C ATOM 806 CE LYS A 50 -1.435 -14.422 -0.697 1.00 0.00 C ATOM 807 NZ LYS A 50 -1.984 -15.335 0.343 1.00 0.00 N ATOM 0 H LYS A 50 -1.626 -11.491 -3.121 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.056 -10.237 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.696 -11.290 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.139 -10.201 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.110 -12.024 1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.089 -12.100 -0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.378 -13.284 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.039 -13.889 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.250 -13.864 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.966 -15.010 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.673 -15.982 -0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.210 -15.886 0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.454 -14.775 1.083 1.00 0.00 H new ATOM 821 N THR A 51 -1.303 -7.993 -2.261 1.00 0.00 N ATOM 822 CA THR A 51 -0.914 -6.605 -2.486 1.00 0.00 C ATOM 823 C THR A 51 -2.131 -5.696 -2.587 1.00 0.00 C ATOM 824 O THR A 51 -3.134 -6.045 -3.211 1.00 0.00 O ATOM 825 CB THR A 51 -0.070 -6.493 -3.757 1.00 0.00 C ATOM 826 OG1 THR A 51 0.134 -5.134 -4.105 1.00 0.00 O ATOM 827 CG2 THR A 51 -0.692 -7.184 -4.951 1.00 0.00 C ATOM 0 H THR A 51 -2.251 -8.223 -2.559 1.00 0.00 H new ATOM 0 HA THR A 51 -0.322 -6.281 -1.630 1.00 0.00 H new ATOM 0 HB THR A 51 0.873 -6.987 -3.522 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.032 -4.573 -3.308 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.043 -7.066 -5.819 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.818 -8.245 -4.733 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.664 -6.740 -5.163 1.00 0.00 H new ATOM 835 N PHE A 52 -2.028 -4.521 -1.975 1.00 0.00 N ATOM 836 CA PHE A 52 -3.113 -3.547 -1.996 1.00 0.00 C ATOM 837 C PHE A 52 -2.753 -2.373 -2.901 1.00 0.00 C ATOM 838 O PHE A 52 -1.594 -2.198 -3.267 1.00 0.00 O ATOM 839 CB PHE A 52 -3.414 -3.040 -0.581 1.00 0.00 C ATOM 840 CG PHE A 52 -3.257 -4.088 0.488 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.997 -4.498 0.894 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.369 -4.659 1.086 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.849 -5.458 1.878 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.228 -5.619 2.070 1.00 0.00 C ATOM 845 CZ PHE A 52 -2.965 -6.020 2.465 1.00 0.00 C ATOM 0 H PHE A 52 -1.202 -4.220 -1.457 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.004 -4.038 -2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.752 -2.204 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.434 -2.656 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.121 -4.063 0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.357 -4.350 0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.862 -5.768 2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.103 -6.055 2.530 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.852 -6.772 3.232 1.00 0.00 H new ATOM 855 N THR A 53 -3.745 -1.571 -3.264 1.00 0.00 N ATOM 856 CA THR A 53 -3.501 -0.420 -4.125 1.00 0.00 C ATOM 857 C THR A 53 -4.434 0.738 -3.778 1.00 0.00 C ATOM 858 O THR A 53 -5.556 0.530 -3.315 1.00 0.00 O ATOM 859 CB THR A 53 -3.665 -0.815 -5.600 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.698 -1.780 -5.968 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.548 0.348 -6.575 1.00 0.00 C ATOM 0 H THR A 53 -4.717 -1.693 -2.980 1.00 0.00 H new ATOM 0 HA THR A 53 -2.477 -0.086 -3.960 1.00 0.00 H new ATOM 0 HB THR A 53 -4.678 -1.211 -5.670 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.819 -2.021 -6.910 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.676 -0.017 -7.594 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.319 1.086 -6.355 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.565 0.809 -6.475 1.00 0.00 H new ATOM 869 N VAL A 54 -3.961 1.956 -4.016 1.00 0.00 N ATOM 870 CA VAL A 54 -4.747 3.153 -3.745 1.00 0.00 C ATOM 871 C VAL A 54 -4.637 4.136 -4.913 1.00 0.00 C ATOM 872 O VAL A 54 -3.617 4.801 -5.095 1.00 0.00 O ATOM 873 CB VAL A 54 -4.322 3.822 -2.405 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.283 4.921 -2.598 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.544 4.366 -1.684 1.00 0.00 C ATOM 0 H VAL A 54 -3.033 2.140 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.791 2.857 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.852 3.050 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.025 5.351 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.389 4.500 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.691 5.699 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.237 4.832 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.038 5.107 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.235 3.550 -1.473 1.00 0.00 H new ATOM 885 N THR A 55 -5.689 4.198 -5.721 1.00 0.00 N ATOM 886 CA THR A 55 -5.704 5.079 -6.885 1.00 0.00 C ATOM 887 C THR A 55 -6.542 6.327 -6.627 1.00 0.00 C ATOM 888 O THR A 55 -7.714 6.237 -6.262 1.00 0.00 O ATOM 889 CB THR A 55 -6.243 4.333 -8.106 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.836 2.976 -8.085 1.00 0.00 O ATOM 891 CG2 THR A 55 -5.784 4.928 -9.421 1.00 0.00 C ATOM 0 H THR A 55 -6.540 3.651 -5.593 1.00 0.00 H new ATOM 0 HA THR A 55 -4.678 5.393 -7.078 1.00 0.00 H new ATOM 0 HB THR A 55 -7.328 4.422 -8.043 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.192 2.515 -8.873 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.202 4.352 -10.247 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.124 5.961 -9.491 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.696 4.900 -9.473 1.00 0.00 H new ATOM 899 N GLU A 56 -5.935 7.493 -6.829 1.00 0.00 N ATOM 900 CA GLU A 56 -6.625 8.764 -6.624 1.00 0.00 C ATOM 901 C GLU A 56 -7.154 9.305 -7.945 1.00 0.00 C ATOM 902 O GLU A 56 -6.589 8.945 -8.998 1.00 0.00 O ATOM 903 CB GLU A 56 -5.685 9.774 -5.974 1.00 0.00 C ATOM 904 CG GLU A 56 -6.309 11.153 -5.778 1.00 0.00 C ATOM 905 CD GLU A 56 -5.287 12.210 -5.420 1.00 0.00 C ATOM 906 OE1 GLU A 56 -4.193 11.841 -4.944 1.00 0.00 O ATOM 907 OE2 GLU A 56 -5.582 13.410 -5.617 1.00 0.00 O ATOM 908 OXT GLU A 56 -8.132 10.080 -7.914 1.00 0.00 O ATOM 0 H GLU A 56 -4.966 7.585 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.472 8.596 -5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.365 9.389 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.791 9.873 -6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.825 11.447 -6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.061 11.099 -4.991 1.00 0.00 H new TER 915 GLU A 56