USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 367 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot 173:sc= 1.01 USER MOD Set 1.2: A 47 CYS SG : rot 180:sc= -0.474 USER MOD Set 2.1: A 39 ASN : amide:sc= -2.87! C(o=-5.3!,f=-11!) USER MOD Set 2.2: A 46 ASN : amide:sc= -2.42 K(o=-5.3,f=-13!) USER MOD Set 3.1: A 12 LYS NZ :NH3+ 172:sc= -2.85! (180deg=0) USER MOD Set 3.2: A 17 HIS : no HE2:sc= -4.27! C(o=-7.1!,f=-8.4!) USER MOD Single : A 1 ARG N :NH3+ 168:sc= -0.847 (180deg=-0.997) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 11 GLN : amide:sc= -3.57! C(o=-3.6!,f=-4.8!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 67:sc= -0.0897 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0832 USER MOD Single : A 35 GLN : amide:sc= -0.357 K(o=-0.36,f=-3.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 58:sc= 0.264 USER MOD Single : A 44 HIS : no HD1:sc= -0.0443 K(o=-0.044,f=-0.76) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= -2.31 (180deg=-3.34!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -22.792 4.125 -0.573 1.00 0.00 N ATOM 2 CA ARG A 1 -22.246 4.581 -1.840 1.00 0.00 C ATOM 3 C ARG A 1 -23.376 4.919 -2.814 1.00 0.00 C ATOM 4 O ARG A 1 -23.294 5.903 -3.548 1.00 0.00 O ATOM 5 CB ARG A 1 -21.344 3.515 -2.465 1.00 0.00 C ATOM 6 CG ARG A 1 -22.095 2.194 -2.640 1.00 0.00 C ATOM 7 CD ARG A 1 -21.146 1.075 -3.074 1.00 0.00 C ATOM 8 NE ARG A 1 -21.087 0.028 -2.029 1.00 0.00 N ATOM 9 CZ ARG A 1 -20.301 -1.055 -2.094 1.00 0.00 C ATOM 10 NH1 ARG A 1 -19.501 -1.239 -3.153 1.00 0.00 N ATOM 11 NH2 ARG A 1 -20.313 -1.953 -1.100 1.00 0.00 N ATOM 0 H1 ARG A 1 -22.032 3.709 0.003 1.00 0.00 H new ATOM 0 H2 ARG A 1 -23.210 4.930 -0.065 1.00 0.00 H new ATOM 0 H3 ARG A 1 -23.525 3.408 -0.749 1.00 0.00 H new ATOM 0 HA ARG A 1 -21.652 5.474 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -20.982 3.862 -3.433 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -20.469 3.359 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -22.580 1.921 -1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -22.883 2.316 -3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -21.486 0.643 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -20.150 1.480 -3.251 1.00 0.00 H new ATOM 0 HE ARG A 1 -21.682 0.138 -1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -19.491 -0.555 -3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -18.902 -2.063 -3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -20.921 -1.812 -0.293 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -19.714 -2.777 -1.150 1.00 0.00 H new ATOM 22 N ILE A 2 -24.405 4.085 -2.790 1.00 0.00 N ATOM 23 CA ILE A 2 -25.549 4.284 -3.663 1.00 0.00 C ATOM 24 C ILE A 2 -25.144 3.977 -5.106 1.00 0.00 C ATOM 25 O ILE A 2 -25.731 3.107 -5.748 1.00 0.00 O ATOM 26 CB ILE A 2 -26.131 5.685 -3.472 1.00 0.00 C ATOM 27 CG1 ILE A 2 -26.357 5.988 -1.989 1.00 0.00 C ATOM 28 CG2 ILE A 2 -27.410 5.866 -4.295 1.00 0.00 C ATOM 29 CD1 ILE A 2 -25.938 7.420 -1.652 1.00 0.00 C ATOM 0 H ILE A 2 -24.470 3.270 -2.180 1.00 0.00 H new ATOM 0 HA ILE A 2 -26.351 3.593 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 2 -25.405 6.409 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -27.409 5.845 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -25.788 5.286 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -27.803 6.871 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -27.186 5.722 -5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -28.153 5.134 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -26.109 7.609 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -24.880 7.552 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -26.526 8.120 -2.245 1.00 0.00 H new ATOM 40 N TYR A 3 -24.145 4.709 -5.575 1.00 0.00 N ATOM 41 CA TYR A 3 -23.655 4.528 -6.930 1.00 0.00 C ATOM 42 C TYR A 3 -24.637 5.108 -7.951 1.00 0.00 C ATOM 43 O TYR A 3 -24.470 4.920 -9.155 1.00 0.00 O ATOM 44 CB TYR A 3 -23.553 3.016 -7.142 1.00 0.00 C ATOM 45 CG TYR A 3 -22.283 2.574 -7.873 1.00 0.00 C ATOM 46 CD1 TYR A 3 -21.064 3.125 -7.532 1.00 0.00 C ATOM 47 CD2 TYR A 3 -22.356 1.624 -8.871 1.00 0.00 C ATOM 48 CE1 TYR A 3 -19.870 2.709 -8.219 1.00 0.00 C ATOM 49 CE2 TYR A 3 -21.162 1.209 -9.558 1.00 0.00 C ATOM 50 CZ TYR A 3 -19.976 1.772 -9.199 1.00 0.00 C ATOM 51 OH TYR A 3 -18.847 1.379 -9.848 1.00 0.00 O ATOM 0 H TYR A 3 -23.661 5.430 -5.040 1.00 0.00 H new ATOM 0 HA TYR A 3 -22.700 5.035 -7.064 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -23.593 2.520 -6.172 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -24.422 2.679 -7.708 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -21.007 3.868 -6.750 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -23.310 1.192 -9.136 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -18.910 3.132 -7.962 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -21.206 0.467 -10.341 1.00 0.00 H new ATOM 0 HH TYR A 3 -19.075 0.704 -10.521 1.00 0.00 H new ATOM 60 N LYS A 4 -25.638 5.803 -7.431 1.00 0.00 N ATOM 61 CA LYS A 4 -26.646 6.413 -8.282 1.00 0.00 C ATOM 62 C LYS A 4 -26.128 7.759 -8.795 1.00 0.00 C ATOM 63 O LYS A 4 -26.646 8.294 -9.774 1.00 0.00 O ATOM 64 CB LYS A 4 -27.983 6.509 -7.545 1.00 0.00 C ATOM 65 CG LYS A 4 -28.160 7.889 -6.910 1.00 0.00 C ATOM 66 CD LYS A 4 -28.743 8.885 -7.914 1.00 0.00 C ATOM 67 CE LYS A 4 -29.783 9.790 -7.249 1.00 0.00 C ATOM 68 NZ LYS A 4 -31.150 9.284 -7.507 1.00 0.00 N ATOM 0 H LYS A 4 -25.773 5.957 -6.432 1.00 0.00 H new ATOM 0 HA LYS A 4 -26.834 5.789 -9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -28.800 6.317 -8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -28.033 5.740 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -28.818 7.813 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -27.198 8.253 -6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -27.942 9.493 -8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -29.202 8.345 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -29.602 9.834 -6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -29.687 10.806 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -31.844 9.909 -7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -31.325 9.264 -8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -31.243 8.323 -7.121 1.00 0.00 H new ATOM 78 N GLY A 5 -25.113 8.265 -8.111 1.00 0.00 N ATOM 79 CA GLY A 5 -24.520 9.538 -8.485 1.00 0.00 C ATOM 80 C GLY A 5 -24.427 10.475 -7.279 1.00 0.00 C ATOM 81 O GLY A 5 -24.712 11.667 -7.390 1.00 0.00 O ATOM 0 H GLY A 5 -24.686 7.817 -7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -23.525 9.372 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -25.117 10.005 -9.268 1.00 0.00 H new ATOM 85 N VAL A 6 -24.027 9.902 -6.154 1.00 0.00 N ATOM 86 CA VAL A 6 -23.893 10.670 -4.928 1.00 0.00 C ATOM 87 C VAL A 6 -24.999 11.727 -4.870 1.00 0.00 C ATOM 88 O VAL A 6 -26.074 11.536 -5.438 1.00 0.00 O ATOM 89 CB VAL A 6 -22.489 11.270 -4.838 1.00 0.00 C ATOM 90 CG1 VAL A 6 -22.417 12.611 -5.572 1.00 0.00 C ATOM 91 CG2 VAL A 6 -22.049 11.419 -3.380 1.00 0.00 C ATOM 0 H VAL A 6 -23.791 8.914 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 6 -24.013 10.025 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 6 -21.799 10.583 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -21.408 13.016 -5.492 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -22.667 12.465 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -23.124 13.309 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -21.048 11.848 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -22.744 12.075 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -22.042 10.440 -2.900 1.00 0.00 H new ATOM 101 N ILE A 7 -24.697 12.815 -4.179 1.00 0.00 N ATOM 102 CA ILE A 7 -25.653 13.902 -4.039 1.00 0.00 C ATOM 103 C ILE A 7 -25.021 15.199 -4.548 1.00 0.00 C ATOM 104 O ILE A 7 -25.658 15.963 -5.272 1.00 0.00 O ATOM 105 CB ILE A 7 -26.161 13.988 -2.598 1.00 0.00 C ATOM 106 CG1 ILE A 7 -25.113 13.458 -1.616 1.00 0.00 C ATOM 107 CG2 ILE A 7 -27.503 13.270 -2.447 1.00 0.00 C ATOM 108 CD1 ILE A 7 -25.593 13.608 -0.171 1.00 0.00 C ATOM 0 H ILE A 7 -23.805 12.968 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 7 -26.535 13.715 -4.651 1.00 0.00 H new ATOM 0 HB ILE A 7 -26.328 15.037 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -24.908 12.409 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -24.176 13.999 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -27.842 13.346 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -28.239 13.732 -3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -27.386 12.220 -2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.831 13.224 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -25.774 14.661 0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -26.517 13.046 -0.034 1.00 0.00 H new ATOM 119 N GLN A 8 -23.775 15.409 -4.148 1.00 0.00 N ATOM 120 CA GLN A 8 -23.050 16.601 -4.554 1.00 0.00 C ATOM 121 C GLN A 8 -23.054 16.732 -6.077 1.00 0.00 C ATOM 122 O GLN A 8 -22.821 17.816 -6.612 1.00 0.00 O ATOM 123 CB GLN A 8 -21.620 16.585 -4.008 1.00 0.00 C ATOM 124 CG GLN A 8 -20.617 16.248 -5.112 1.00 0.00 C ATOM 125 CD GLN A 8 -19.180 16.330 -4.591 1.00 0.00 C ATOM 126 OE1 GLN A 8 -18.923 16.315 -3.399 1.00 0.00 O ATOM 127 NE2 GLN A 8 -18.262 16.417 -5.549 1.00 0.00 N ATOM 0 H GLN A 8 -23.250 14.774 -3.547 1.00 0.00 H new ATOM 0 HA GLN A 8 -23.555 17.471 -4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -21.380 17.557 -3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -21.542 15.853 -3.204 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -20.813 15.246 -5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -20.745 16.937 -5.947 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.546 16.424 -6.529 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.274 16.476 -5.304 1.00 0.00 H new ATOM 134 N ALA A 9 -23.322 15.613 -6.736 1.00 0.00 N ATOM 135 CA ALA A 9 -23.360 15.589 -8.188 1.00 0.00 C ATOM 136 C ALA A 9 -24.015 16.874 -8.698 1.00 0.00 C ATOM 137 O ALA A 9 -23.703 17.343 -9.791 1.00 0.00 O ATOM 138 CB ALA A 9 -24.094 14.333 -8.658 1.00 0.00 C ATOM 0 H ALA A 9 -23.515 14.716 -6.290 1.00 0.00 H new ATOM 0 HA ALA A 9 -22.351 15.549 -8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -24.123 14.315 -9.747 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -23.571 13.448 -8.294 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -25.112 14.339 -8.268 1.00 0.00 H new ATOM 144 N ILE A 10 -24.912 17.407 -7.881 1.00 0.00 N ATOM 145 CA ILE A 10 -25.615 18.628 -8.236 1.00 0.00 C ATOM 146 C ILE A 10 -24.942 19.817 -7.547 1.00 0.00 C ATOM 147 O ILE A 10 -24.472 20.739 -8.211 1.00 0.00 O ATOM 148 CB ILE A 10 -27.107 18.498 -7.922 1.00 0.00 C ATOM 149 CG1 ILE A 10 -27.336 17.578 -6.721 1.00 0.00 C ATOM 150 CG2 ILE A 10 -27.889 18.039 -9.154 1.00 0.00 C ATOM 151 CD1 ILE A 10 -27.415 16.115 -7.159 1.00 0.00 C ATOM 0 H ILE A 10 -25.168 17.016 -6.975 1.00 0.00 H new ATOM 0 HA ILE A 10 -25.554 18.805 -9.310 1.00 0.00 H new ATOM 0 HB ILE A 10 -27.486 19.483 -7.650 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -26.526 17.703 -6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -28.258 17.860 -6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -28.946 17.955 -8.903 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -27.763 18.766 -9.956 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -27.515 17.069 -9.481 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -27.578 15.482 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -28.241 15.989 -7.858 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -26.482 15.830 -7.645 1.00 0.00 H new ATOM 162 N GLN A 11 -24.918 19.756 -6.223 1.00 0.00 N ATOM 163 CA GLN A 11 -24.311 20.817 -5.437 1.00 0.00 C ATOM 164 C GLN A 11 -22.952 21.202 -6.025 1.00 0.00 C ATOM 165 O GLN A 11 -22.506 22.339 -5.875 1.00 0.00 O ATOM 166 CB GLN A 11 -24.177 20.404 -3.970 1.00 0.00 C ATOM 167 CG GLN A 11 -22.805 19.782 -3.699 1.00 0.00 C ATOM 168 CD GLN A 11 -22.789 19.054 -2.354 1.00 0.00 C ATOM 169 OE1 GLN A 11 -23.646 18.240 -2.049 1.00 0.00 O ATOM 170 NE2 GLN A 11 -21.770 19.390 -1.568 1.00 0.00 N ATOM 0 H GLN A 11 -25.309 18.989 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 11 -24.962 21.690 -5.476 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.319 21.274 -3.329 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.961 19.690 -3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.554 19.084 -4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -22.042 20.560 -3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -21.087 20.079 -1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -21.671 18.959 -0.649 1.00 0.00 H new ATOM 177 N LYS A 12 -22.332 20.233 -6.682 1.00 0.00 N ATOM 178 CA LYS A 12 -21.032 20.457 -7.293 1.00 0.00 C ATOM 179 C LYS A 12 -21.055 21.781 -8.060 1.00 0.00 C ATOM 180 O LYS A 12 -20.039 22.470 -8.145 1.00 0.00 O ATOM 181 CB LYS A 12 -20.630 19.257 -8.152 1.00 0.00 C ATOM 182 CG LYS A 12 -21.785 18.816 -9.054 1.00 0.00 C ATOM 183 CD LYS A 12 -21.898 19.723 -10.281 1.00 0.00 C ATOM 184 CE LYS A 12 -21.393 19.011 -11.537 1.00 0.00 C ATOM 185 NZ LYS A 12 -20.124 19.616 -12.001 1.00 0.00 N ATOM 0 H LYS A 12 -22.705 19.292 -6.805 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.261 20.545 -6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.765 19.516 -8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -20.330 18.430 -7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.630 17.785 -9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -22.719 18.839 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.936 20.023 -10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.322 20.634 -10.119 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.242 17.952 -11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -22.143 19.075 -12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.725 19.040 -12.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.305 20.579 -12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.449 19.655 -11.211 1.00 0.00 H new ATOM 195 N SER A 13 -22.223 22.097 -8.597 1.00 0.00 N ATOM 196 CA SER A 13 -22.392 23.326 -9.354 1.00 0.00 C ATOM 197 C SER A 13 -22.067 24.533 -8.471 1.00 0.00 C ATOM 198 O SER A 13 -21.504 25.518 -8.944 1.00 0.00 O ATOM 199 CB SER A 13 -23.813 23.442 -9.908 1.00 0.00 C ATOM 200 OG SER A 13 -23.826 23.532 -11.330 1.00 0.00 O ATOM 0 H SER A 13 -23.063 21.523 -8.523 1.00 0.00 H new ATOM 0 HA SER A 13 -21.703 23.304 -10.198 1.00 0.00 H new ATOM 0 HB2 SER A 13 -24.396 22.576 -9.594 1.00 0.00 H new ATOM 0 HB3 SER A 13 -24.296 24.322 -9.485 1.00 0.00 H new ATOM 0 HG SER A 13 -24.751 23.603 -11.645 1.00 0.00 H new ATOM 205 N ASP A 14 -22.435 24.414 -7.204 1.00 0.00 N ATOM 206 CA ASP A 14 -22.189 25.482 -6.250 1.00 0.00 C ATOM 207 C ASP A 14 -20.683 25.613 -6.013 1.00 0.00 C ATOM 208 O ASP A 14 -20.190 26.701 -5.720 1.00 0.00 O ATOM 209 CB ASP A 14 -22.856 25.185 -4.906 1.00 0.00 C ATOM 210 CG ASP A 14 -23.746 26.305 -4.363 1.00 0.00 C ATOM 211 OD1 ASP A 14 -24.758 26.600 -5.034 1.00 0.00 O ATOM 212 OD2 ASP A 14 -23.395 26.840 -3.289 1.00 0.00 O ATOM 0 H ASP A 14 -22.902 23.594 -6.816 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.602 26.403 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.457 24.281 -5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -22.079 24.971 -4.172 1.00 0.00 H new ATOM 216 N GLU A 15 -19.996 24.489 -6.149 1.00 0.00 N ATOM 217 CA GLU A 15 -18.557 24.464 -5.953 1.00 0.00 C ATOM 218 C GLU A 15 -17.849 25.122 -7.139 1.00 0.00 C ATOM 219 O GLU A 15 -16.817 25.771 -6.968 1.00 0.00 O ATOM 220 CB GLU A 15 -18.057 23.033 -5.743 1.00 0.00 C ATOM 221 CG GLU A 15 -18.469 22.506 -4.367 1.00 0.00 C ATOM 222 CD GLU A 15 -18.863 21.029 -4.441 1.00 0.00 C ATOM 223 OE1 GLU A 15 -18.391 20.363 -5.387 1.00 0.00 O ATOM 224 OE2 GLU A 15 -19.628 20.601 -3.550 1.00 0.00 O ATOM 0 H GLU A 15 -20.409 23.589 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 15 -18.323 25.032 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.461 22.385 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.971 23.006 -5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -17.646 22.632 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.306 23.091 -3.985 1.00 0.00 H new ATOM 229 N GLY A 16 -18.430 24.934 -8.314 1.00 0.00 N ATOM 230 CA GLY A 16 -17.868 25.502 -9.528 1.00 0.00 C ATOM 231 C GLY A 16 -16.568 24.793 -9.914 1.00 0.00 C ATOM 232 O GLY A 16 -15.577 25.441 -10.247 1.00 0.00 O ATOM 0 H GLY A 16 -19.285 24.396 -8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.589 25.416 -10.341 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.677 26.565 -9.382 1.00 0.00 H new ATOM 236 N HIS A 17 -16.613 23.469 -9.855 1.00 0.00 N ATOM 237 CA HIS A 17 -15.453 22.665 -10.195 1.00 0.00 C ATOM 238 C HIS A 17 -14.186 23.342 -9.666 1.00 0.00 C ATOM 239 O HIS A 17 -13.449 23.967 -10.426 1.00 0.00 O ATOM 240 CB HIS A 17 -15.397 22.398 -11.701 1.00 0.00 C ATOM 241 CG HIS A 17 -16.723 21.997 -12.303 1.00 0.00 C ATOM 242 ND1 HIS A 17 -16.890 20.841 -13.044 1.00 0.00 N ATOM 243 CD2 HIS A 17 -17.941 22.611 -12.264 1.00 0.00 C ATOM 244 CE1 HIS A 17 -18.156 20.772 -13.429 1.00 0.00 C ATOM 245 NE2 HIS A 17 -18.806 21.869 -12.946 1.00 0.00 N ATOM 0 H HIS A 17 -17.436 22.934 -9.577 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.530 21.689 -9.715 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -15.037 23.295 -12.206 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -14.669 21.610 -11.893 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.163 20.158 -13.258 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.164 23.542 -11.764 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -18.596 19.984 -14.022 1.00 0.00 H new ATOM 253 N PRO A 18 -13.968 23.191 -8.333 1.00 0.00 N ATOM 254 CA PRO A 18 -12.804 23.779 -7.693 1.00 0.00 C ATOM 255 C PRO A 18 -11.537 22.990 -8.026 1.00 0.00 C ATOM 256 O PRO A 18 -11.518 22.210 -8.977 1.00 0.00 O ATOM 257 CB PRO A 18 -13.130 23.782 -6.208 1.00 0.00 C ATOM 258 CG PRO A 18 -14.256 22.777 -6.026 1.00 0.00 C ATOM 259 CD PRO A 18 -14.820 22.456 -7.402 1.00 0.00 C ATOM 0 HA PRO A 18 -12.598 24.790 -8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.258 23.503 -5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.435 24.775 -5.877 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.886 21.872 -5.544 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.033 23.187 -5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.792 21.385 -7.601 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.861 22.769 -7.486 1.00 0.00 H new ATOM 264 N PHE A 19 -10.507 23.220 -7.223 1.00 0.00 N ATOM 265 CA PHE A 19 -9.238 22.539 -7.421 1.00 0.00 C ATOM 266 C PHE A 19 -8.638 22.101 -6.084 1.00 0.00 C ATOM 267 O PHE A 19 -8.335 20.925 -5.889 1.00 0.00 O ATOM 268 CB PHE A 19 -8.293 23.539 -8.088 1.00 0.00 C ATOM 269 CG PHE A 19 -7.402 22.926 -9.170 1.00 0.00 C ATOM 270 CD1 PHE A 19 -7.943 22.526 -10.352 1.00 0.00 C ATOM 271 CD2 PHE A 19 -6.067 22.783 -8.951 1.00 0.00 C ATOM 272 CE1 PHE A 19 -7.116 21.958 -11.355 1.00 0.00 C ATOM 273 CE2 PHE A 19 -5.240 22.215 -9.955 1.00 0.00 C ATOM 274 CZ PHE A 19 -5.781 21.814 -11.136 1.00 0.00 C ATOM 0 H PHE A 19 -10.526 23.868 -6.435 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.384 21.649 -8.032 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.883 24.342 -8.530 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.661 23.991 -7.324 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.003 22.641 -10.527 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.636 23.102 -8.013 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.546 21.640 -12.293 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.180 22.101 -9.781 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.152 21.382 -11.900 1.00 0.00 H new ATOM 283 N ARG A 20 -8.481 23.072 -5.196 1.00 0.00 N ATOM 284 CA ARG A 20 -7.921 22.802 -3.882 1.00 0.00 C ATOM 285 C ARG A 20 -8.945 22.074 -3.008 1.00 0.00 C ATOM 286 O ARG A 20 -8.576 21.320 -2.109 1.00 0.00 O ATOM 287 CB ARG A 20 -7.497 24.097 -3.187 1.00 0.00 C ATOM 288 CG ARG A 20 -8.561 25.183 -3.354 1.00 0.00 C ATOM 289 CD ARG A 20 -9.814 24.853 -2.539 1.00 0.00 C ATOM 290 NE ARG A 20 -10.182 26.007 -1.688 1.00 0.00 N ATOM 291 CZ ARG A 20 -10.489 27.223 -2.162 1.00 0.00 C ATOM 292 NH1 ARG A 20 -10.474 27.450 -3.482 1.00 0.00 N ATOM 293 NH2 ARG A 20 -10.812 28.210 -1.316 1.00 0.00 N ATOM 0 H ARG A 20 -8.732 24.047 -5.361 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.042 22.172 -4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.330 23.907 -2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.550 24.443 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.158 26.144 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.823 25.281 -4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.638 24.606 -3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.634 23.975 -1.918 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.203 25.868 -0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.229 26.698 -4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.708 28.375 -3.843 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.824 28.037 -0.311 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.045 29.135 -1.677 1.00 0.00 H new ATOM 304 N ALA A 21 -10.212 22.326 -3.302 1.00 0.00 N ATOM 305 CA ALA A 21 -11.292 21.704 -2.555 1.00 0.00 C ATOM 306 C ALA A 21 -11.163 20.183 -2.650 1.00 0.00 C ATOM 307 O ALA A 21 -11.509 19.466 -1.712 1.00 0.00 O ATOM 308 CB ALA A 21 -12.636 22.210 -3.083 1.00 0.00 C ATOM 0 H ALA A 21 -10.515 22.953 -4.048 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.234 21.974 -1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.446 21.743 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.689 23.292 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.731 21.955 -4.139 1.00 0.00 H new ATOM 314 N TYR A 22 -10.664 19.734 -3.792 1.00 0.00 N ATOM 315 CA TYR A 22 -10.484 18.310 -4.023 1.00 0.00 C ATOM 316 C TYR A 22 -9.302 17.769 -3.217 1.00 0.00 C ATOM 317 O TYR A 22 -9.346 16.643 -2.724 1.00 0.00 O ATOM 318 CB TYR A 22 -10.182 18.159 -5.515 1.00 0.00 C ATOM 319 CG TYR A 22 -9.087 17.137 -5.828 1.00 0.00 C ATOM 320 CD1 TYR A 22 -7.759 17.490 -5.704 1.00 0.00 C ATOM 321 CD2 TYR A 22 -9.429 15.863 -6.234 1.00 0.00 C ATOM 322 CE1 TYR A 22 -6.728 16.528 -5.998 1.00 0.00 C ATOM 323 CE2 TYR A 22 -8.398 14.902 -6.528 1.00 0.00 C ATOM 324 CZ TYR A 22 -7.100 15.281 -6.396 1.00 0.00 C ATOM 325 OH TYR A 22 -6.127 14.373 -6.674 1.00 0.00 O ATOM 0 H TYR A 22 -10.378 20.331 -4.568 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.373 17.757 -3.719 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -11.096 17.867 -6.032 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.885 19.128 -5.915 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.493 18.487 -5.387 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -10.469 15.587 -6.331 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.684 16.790 -5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.651 13.902 -6.847 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.538 13.526 -6.945 1.00 0.00 H new ATOM 334 N LEU A 23 -8.273 18.597 -3.111 1.00 0.00 N ATOM 335 CA LEU A 23 -7.080 18.215 -2.374 1.00 0.00 C ATOM 336 C LEU A 23 -7.471 17.816 -0.949 1.00 0.00 C ATOM 337 O LEU A 23 -7.018 16.791 -0.441 1.00 0.00 O ATOM 338 CB LEU A 23 -6.033 19.330 -2.435 1.00 0.00 C ATOM 339 CG LEU A 23 -5.186 19.524 -1.174 1.00 0.00 C ATOM 340 CD1 LEU A 23 -6.038 20.052 -0.018 1.00 0.00 C ATOM 341 CD2 LEU A 23 -4.452 18.234 -0.804 1.00 0.00 C ATOM 0 H LEU A 23 -8.241 19.530 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.612 17.344 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.363 19.127 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.542 20.268 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.427 20.277 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.413 20.181 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.475 21.011 -0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.834 19.341 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.858 18.399 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.178 17.442 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.796 17.941 -1.624 1.00 0.00 H new ATOM 352 N GLU A 24 -8.308 18.646 -0.345 1.00 0.00 N ATOM 353 CA GLU A 24 -8.765 18.392 1.010 1.00 0.00 C ATOM 354 C GLU A 24 -9.335 16.976 1.122 1.00 0.00 C ATOM 355 O GLU A 24 -9.315 16.379 2.197 1.00 0.00 O ATOM 356 CB GLU A 24 -9.799 19.434 1.444 1.00 0.00 C ATOM 357 CG GLU A 24 -9.590 19.837 2.905 1.00 0.00 C ATOM 358 CD GLU A 24 -10.842 19.548 3.738 1.00 0.00 C ATOM 359 OE1 GLU A 24 -11.827 20.298 3.558 1.00 0.00 O ATOM 360 OE2 GLU A 24 -10.785 18.587 4.533 1.00 0.00 O ATOM 0 H GLU A 24 -8.682 19.495 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.910 18.473 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.724 20.314 0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.803 19.031 1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.740 19.293 3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.348 20.898 2.962 1.00 0.00 H new ATOM 365 N SER A 25 -9.826 16.479 -0.003 1.00 0.00 N ATOM 366 CA SER A 25 -10.399 15.145 -0.045 1.00 0.00 C ATOM 367 C SER A 25 -9.386 14.124 0.478 1.00 0.00 C ATOM 368 O SER A 25 -9.759 13.019 0.871 1.00 0.00 O ATOM 369 CB SER A 25 -10.839 14.778 -1.464 1.00 0.00 C ATOM 370 OG SER A 25 -11.671 15.780 -2.041 1.00 0.00 O ATOM 0 H SER A 25 -9.839 16.977 -0.893 1.00 0.00 H new ATOM 0 HA SER A 25 -11.282 15.132 0.594 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.959 14.633 -2.090 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.375 13.829 -1.443 1.00 0.00 H new ATOM 0 HG SER A 25 -11.147 16.594 -2.190 1.00 0.00 H new ATOM 375 N GLU A 26 -8.125 14.530 0.466 1.00 0.00 N ATOM 376 CA GLU A 26 -7.056 13.665 0.933 1.00 0.00 C ATOM 377 C GLU A 26 -7.299 13.260 2.389 1.00 0.00 C ATOM 378 O GLU A 26 -6.864 12.194 2.821 1.00 0.00 O ATOM 379 CB GLU A 26 -5.693 14.341 0.773 1.00 0.00 C ATOM 380 CG GLU A 26 -5.665 15.693 1.488 1.00 0.00 C ATOM 381 CD GLU A 26 -4.945 15.586 2.834 1.00 0.00 C ATOM 382 OE1 GLU A 26 -4.757 14.437 3.288 1.00 0.00 O ATOM 383 OE2 GLU A 26 -4.599 16.657 3.379 1.00 0.00 O ATOM 0 H GLU A 26 -7.820 15.447 0.140 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.051 12.763 0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.913 13.696 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.474 14.481 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.163 16.430 0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.684 16.047 1.644 1.00 0.00 H new ATOM 388 N VAL A 27 -7.993 14.132 3.104 1.00 0.00 N ATOM 389 CA VAL A 27 -8.300 13.879 4.502 1.00 0.00 C ATOM 390 C VAL A 27 -9.390 12.809 4.595 1.00 0.00 C ATOM 391 O VAL A 27 -9.398 12.006 5.526 1.00 0.00 O ATOM 392 CB VAL A 27 -8.684 15.186 5.198 1.00 0.00 C ATOM 393 CG1 VAL A 27 -8.805 14.986 6.710 1.00 0.00 C ATOM 394 CG2 VAL A 27 -7.684 16.297 4.871 1.00 0.00 C ATOM 0 H VAL A 27 -8.352 15.015 2.742 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.423 13.495 5.022 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.660 15.492 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.079 15.930 7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.572 14.241 6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.850 14.645 7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.981 17.215 5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.690 16.002 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.668 16.467 3.794 1.00 0.00 H new ATOM 404 N ALA A 28 -10.283 12.834 3.617 1.00 0.00 N ATOM 405 CA ALA A 28 -11.375 11.876 3.577 1.00 0.00 C ATOM 406 C ALA A 28 -10.821 10.490 3.241 1.00 0.00 C ATOM 407 O ALA A 28 -11.133 9.511 3.918 1.00 0.00 O ATOM 408 CB ALA A 28 -12.428 12.343 2.569 1.00 0.00 C ATOM 0 H ALA A 28 -10.273 13.502 2.846 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.862 11.809 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.247 11.624 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.812 13.318 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.976 12.420 1.580 1.00 0.00 H new ATOM 414 N ILE A 29 -10.007 10.452 2.196 1.00 0.00 N ATOM 415 CA ILE A 29 -9.406 9.202 1.762 1.00 0.00 C ATOM 416 C ILE A 29 -8.579 8.614 2.907 1.00 0.00 C ATOM 417 O ILE A 29 -8.499 7.396 3.058 1.00 0.00 O ATOM 418 CB ILE A 29 -8.611 9.409 0.471 1.00 0.00 C ATOM 419 CG1 ILE A 29 -7.203 9.929 0.773 1.00 0.00 C ATOM 420 CG2 ILE A 29 -9.364 10.324 -0.497 1.00 0.00 C ATOM 421 CD1 ILE A 29 -6.297 9.802 -0.454 1.00 0.00 C ATOM 0 H ILE A 29 -9.750 11.266 1.638 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.178 8.472 1.519 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.500 8.443 -0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.256 10.972 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.775 9.369 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.777 10.454 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.326 9.876 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.527 11.294 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.303 10.178 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.227 8.755 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.715 10.382 -1.276 1.00 0.00 H new ATOM 432 N SER A 30 -7.983 9.507 3.683 1.00 0.00 N ATOM 433 CA SER A 30 -7.165 9.093 4.810 1.00 0.00 C ATOM 434 C SER A 30 -8.010 8.298 5.806 1.00 0.00 C ATOM 435 O SER A 30 -7.634 7.196 6.204 1.00 0.00 O ATOM 436 CB SER A 30 -6.526 10.299 5.500 1.00 0.00 C ATOM 437 OG SER A 30 -5.768 9.920 6.646 1.00 0.00 O ATOM 0 H SER A 30 -8.050 10.516 3.553 1.00 0.00 H new ATOM 0 HA SER A 30 -6.363 8.457 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.879 10.820 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.305 11.001 5.797 1.00 0.00 H new ATOM 0 HG SER A 30 -5.375 10.718 7.057 1.00 0.00 H new ATOM 442 N GLU A 31 -9.136 8.887 6.181 1.00 0.00 N ATOM 443 CA GLU A 31 -10.038 8.248 7.123 1.00 0.00 C ATOM 444 C GLU A 31 -10.733 7.053 6.465 1.00 0.00 C ATOM 445 O GLU A 31 -10.932 6.019 7.101 1.00 0.00 O ATOM 446 CB GLU A 31 -11.061 9.245 7.667 1.00 0.00 C ATOM 447 CG GLU A 31 -11.893 9.850 6.534 1.00 0.00 C ATOM 448 CD GLU A 31 -13.046 10.690 7.088 1.00 0.00 C ATOM 449 OE1 GLU A 31 -12.748 11.614 7.877 1.00 0.00 O ATOM 450 OE2 GLU A 31 -14.199 10.390 6.711 1.00 0.00 O ATOM 0 H GLU A 31 -9.444 9.801 5.849 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.452 7.884 7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.718 8.745 8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.548 10.039 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.257 10.470 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.289 9.054 5.903 1.00 0.00 H new ATOM 455 N GLU A 32 -11.083 7.235 5.201 1.00 0.00 N ATOM 456 CA GLU A 32 -11.752 6.186 4.451 1.00 0.00 C ATOM 457 C GLU A 32 -10.775 5.050 4.141 1.00 0.00 C ATOM 458 O GLU A 32 -11.070 3.885 4.403 1.00 0.00 O ATOM 459 CB GLU A 32 -12.372 6.740 3.167 1.00 0.00 C ATOM 460 CG GLU A 32 -13.860 7.039 3.362 1.00 0.00 C ATOM 461 CD GLU A 32 -14.659 6.692 2.104 1.00 0.00 C ATOM 462 OE1 GLU A 32 -14.172 7.044 1.008 1.00 0.00 O ATOM 463 OE2 GLU A 32 -15.738 6.084 2.267 1.00 0.00 O ATOM 0 H GLU A 32 -10.916 8.094 4.677 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.561 5.788 5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.850 7.650 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.245 6.021 2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.241 6.468 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.994 8.094 3.603 1.00 0.00 H new ATOM 468 N LEU A 33 -9.631 5.429 3.590 1.00 0.00 N ATOM 469 CA LEU A 33 -8.609 4.457 3.242 1.00 0.00 C ATOM 470 C LEU A 33 -8.425 3.479 4.404 1.00 0.00 C ATOM 471 O LEU A 33 -8.005 2.341 4.202 1.00 0.00 O ATOM 472 CB LEU A 33 -7.318 5.164 2.823 1.00 0.00 C ATOM 473 CG LEU A 33 -6.117 4.257 2.545 1.00 0.00 C ATOM 474 CD1 LEU A 33 -5.636 3.576 3.828 1.00 0.00 C ATOM 475 CD2 LEU A 33 -6.438 3.244 1.445 1.00 0.00 C ATOM 0 H LEU A 33 -9.389 6.397 3.376 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.919 3.871 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.522 5.749 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.042 5.869 3.607 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.297 4.877 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.782 2.937 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.341 4.334 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.442 2.971 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.568 2.612 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.279 2.624 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.696 3.773 0.527 1.00 0.00 H new ATOM 486 N VAL A 34 -8.750 3.958 5.596 1.00 0.00 N ATOM 487 CA VAL A 34 -8.625 3.141 6.791 1.00 0.00 C ATOM 488 C VAL A 34 -9.574 1.944 6.686 1.00 0.00 C ATOM 489 O VAL A 34 -9.195 0.817 6.999 1.00 0.00 O ATOM 490 CB VAL A 34 -8.874 3.993 8.036 1.00 0.00 C ATOM 491 CG1 VAL A 34 -8.463 3.243 9.305 1.00 0.00 C ATOM 492 CG2 VAL A 34 -8.150 5.336 7.935 1.00 0.00 C ATOM 0 H VAL A 34 -9.100 4.902 5.760 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.613 2.747 6.880 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.944 4.193 8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.650 3.871 10.176 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.043 2.324 9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.402 2.999 9.256 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.344 5.922 8.833 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.078 5.165 7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.511 5.879 7.062 1.00 0.00 H new ATOM 502 N GLN A 35 -10.790 2.232 6.244 1.00 0.00 N ATOM 503 CA GLN A 35 -11.796 1.193 6.093 1.00 0.00 C ATOM 504 C GLN A 35 -11.416 0.249 4.951 1.00 0.00 C ATOM 505 O GLN A 35 -11.821 -0.913 4.941 1.00 0.00 O ATOM 506 CB GLN A 35 -13.181 1.801 5.866 1.00 0.00 C ATOM 507 CG GLN A 35 -13.370 2.205 4.402 1.00 0.00 C ATOM 508 CD GLN A 35 -14.249 1.193 3.663 1.00 0.00 C ATOM 509 OE1 GLN A 35 -14.810 0.279 4.245 1.00 0.00 O ATOM 510 NE2 GLN A 35 -14.337 1.407 2.354 1.00 0.00 N ATOM 0 H GLN A 35 -11.101 3.168 5.986 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.837 0.615 7.016 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.949 1.082 6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.309 2.673 6.507 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.825 3.194 4.350 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.399 2.275 3.912 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.841 2.192 1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.900 0.787 1.773 1.00 0.00 H new ATOM 517 N LYS A 36 -10.645 0.783 4.015 1.00 0.00 N ATOM 518 CA LYS A 36 -10.208 0.003 2.870 1.00 0.00 C ATOM 519 C LYS A 36 -9.304 -1.134 3.349 1.00 0.00 C ATOM 520 O LYS A 36 -9.265 -2.202 2.738 1.00 0.00 O ATOM 521 CB LYS A 36 -9.556 0.907 1.822 1.00 0.00 C ATOM 522 CG LYS A 36 -10.477 2.073 1.455 1.00 0.00 C ATOM 523 CD LYS A 36 -9.963 2.807 0.215 1.00 0.00 C ATOM 524 CE LYS A 36 -11.071 2.959 -0.830 1.00 0.00 C ATOM 525 NZ LYS A 36 -10.542 3.595 -2.056 1.00 0.00 N ATOM 0 H LYS A 36 -10.312 1.747 4.026 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.063 -0.456 2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.611 1.292 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.325 0.326 0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.485 1.701 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.542 2.768 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.589 3.790 0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.125 2.259 -0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.488 1.981 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.883 3.561 -0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.306 3.691 -2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.165 4.536 -1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.782 3.006 -2.453 1.00 0.00 H new ATOM 535 N TYR A 37 -8.597 -0.867 4.439 1.00 0.00 N ATOM 536 CA TYR A 37 -7.696 -1.855 5.007 1.00 0.00 C ATOM 537 C TYR A 37 -8.334 -3.245 5.007 1.00 0.00 C ATOM 538 O TYR A 37 -7.633 -4.255 4.991 1.00 0.00 O ATOM 539 CB TYR A 37 -7.450 -1.419 6.453 1.00 0.00 C ATOM 540 CG TYR A 37 -8.478 -1.963 7.449 1.00 0.00 C ATOM 541 CD1 TYR A 37 -9.819 -1.686 7.278 1.00 0.00 C ATOM 542 CD2 TYR A 37 -8.062 -2.731 8.517 1.00 0.00 C ATOM 543 CE1 TYR A 37 -10.785 -2.197 8.216 1.00 0.00 C ATOM 544 CE2 TYR A 37 -9.028 -3.243 9.455 1.00 0.00 C ATOM 545 CZ TYR A 37 -10.341 -2.950 9.258 1.00 0.00 C ATOM 546 OH TYR A 37 -11.253 -3.434 10.143 1.00 0.00 O ATOM 0 H TYR A 37 -8.631 0.019 4.943 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.776 -1.914 4.426 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.456 -1.747 6.757 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.455 -0.330 6.500 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -10.144 -1.086 6.441 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.012 -2.948 8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.837 -1.987 8.095 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.716 -3.846 10.295 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.793 -3.955 10.834 1.00 0.00 H new ATOM 555 N SER A 38 -9.659 -3.253 5.024 1.00 0.00 N ATOM 556 CA SER A 38 -10.400 -4.503 5.026 1.00 0.00 C ATOM 557 C SER A 38 -9.972 -5.367 3.839 1.00 0.00 C ATOM 558 O SER A 38 -9.863 -6.586 3.962 1.00 0.00 O ATOM 559 CB SER A 38 -11.909 -4.248 4.981 1.00 0.00 C ATOM 560 OG SER A 38 -12.521 -4.442 6.252 1.00 0.00 O ATOM 0 H SER A 38 -10.238 -2.414 5.037 1.00 0.00 H new ATOM 0 HA SER A 38 -10.175 -5.033 5.952 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.094 -3.229 4.641 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.368 -4.916 4.252 1.00 0.00 H new ATOM 0 HG SER A 38 -12.104 -3.848 6.910 1.00 0.00 H new ATOM 565 N ASN A 39 -9.740 -4.702 2.717 1.00 0.00 N ATOM 566 CA ASN A 39 -9.326 -5.394 1.509 1.00 0.00 C ATOM 567 C ASN A 39 -8.011 -6.131 1.773 1.00 0.00 C ATOM 568 O ASN A 39 -7.742 -7.165 1.164 1.00 0.00 O ATOM 569 CB ASN A 39 -9.094 -4.409 0.361 1.00 0.00 C ATOM 570 CG ASN A 39 -9.858 -4.838 -0.893 1.00 0.00 C ATOM 571 OD1 ASN A 39 -10.503 -5.872 -0.934 1.00 0.00 O ATOM 572 ND2 ASN A 39 -9.750 -3.987 -1.910 1.00 0.00 N ATOM 0 H ASN A 39 -9.831 -3.691 2.619 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.118 -6.090 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.414 -3.412 0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.029 -4.348 0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.224 -4.183 -2.792 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.193 -3.138 -1.808 1.00 0.00 H new ATOM 578 N SER A 40 -7.229 -5.570 2.683 1.00 0.00 N ATOM 579 CA SER A 40 -5.948 -6.160 3.036 1.00 0.00 C ATOM 580 C SER A 40 -6.151 -7.596 3.524 1.00 0.00 C ATOM 581 O SER A 40 -5.198 -8.367 3.609 1.00 0.00 O ATOM 582 CB SER A 40 -5.236 -5.331 4.107 1.00 0.00 C ATOM 583 OG SER A 40 -5.426 -5.870 5.412 1.00 0.00 O ATOM 0 H SER A 40 -7.457 -4.713 3.187 1.00 0.00 H new ATOM 0 HA SER A 40 -5.319 -6.171 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.170 -5.289 3.884 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.608 -4.307 4.080 1.00 0.00 H new ATOM 0 HG SER A 40 -4.864 -5.385 6.051 1.00 0.00 H new ATOM 588 N ALA A 41 -7.401 -7.912 3.832 1.00 0.00 N ATOM 589 CA ALA A 41 -7.741 -9.241 4.310 1.00 0.00 C ATOM 590 C ALA A 41 -7.356 -10.273 3.248 1.00 0.00 C ATOM 591 O ALA A 41 -6.906 -11.370 3.578 1.00 0.00 O ATOM 592 CB ALA A 41 -9.229 -9.291 4.660 1.00 0.00 C ATOM 0 H ALA A 41 -8.190 -7.270 3.760 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.185 -9.478 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.485 -10.288 5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.445 -8.559 5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.819 -9.062 3.773 1.00 0.00 H new ATOM 598 N LEU A 42 -7.546 -9.886 1.996 1.00 0.00 N ATOM 599 CA LEU A 42 -7.224 -10.764 0.883 1.00 0.00 C ATOM 600 C LEU A 42 -5.764 -11.208 0.995 1.00 0.00 C ATOM 601 O LEU A 42 -5.477 -12.284 1.517 1.00 0.00 O ATOM 602 CB LEU A 42 -7.562 -10.090 -0.447 1.00 0.00 C ATOM 603 CG LEU A 42 -9.038 -9.757 -0.675 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.928 -10.503 0.322 1.00 0.00 C ATOM 605 CD2 LEU A 42 -9.273 -8.246 -0.635 1.00 0.00 C ATOM 0 H LEU A 42 -7.919 -8.976 1.727 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.835 -11.666 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.986 -9.167 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.228 -10.740 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.315 -10.098 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.972 -10.249 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.789 -11.577 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.657 -10.215 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.330 -8.038 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.974 -7.857 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.683 -7.765 -1.415 1.00 0.00 H new ATOM 616 N GLY A 43 -4.881 -10.355 0.498 1.00 0.00 N ATOM 617 CA GLY A 43 -3.458 -10.645 0.535 1.00 0.00 C ATOM 618 C GLY A 43 -2.661 -9.424 0.999 1.00 0.00 C ATOM 619 O GLY A 43 -1.465 -9.319 0.729 1.00 0.00 O ATOM 0 H GLY A 43 -5.123 -9.463 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.271 -11.482 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.120 -10.950 -0.455 1.00 0.00 H new ATOM 623 N HIS A 44 -3.356 -8.533 1.690 1.00 0.00 N ATOM 624 CA HIS A 44 -2.727 -7.322 2.194 1.00 0.00 C ATOM 625 C HIS A 44 -2.305 -6.437 1.021 1.00 0.00 C ATOM 626 O HIS A 44 -1.113 -6.264 0.768 1.00 0.00 O ATOM 627 CB HIS A 44 -1.565 -7.663 3.130 1.00 0.00 C ATOM 628 CG HIS A 44 -1.993 -8.273 4.443 1.00 0.00 C ATOM 629 ND1 HIS A 44 -2.679 -9.472 4.526 1.00 0.00 N ATOM 630 CD2 HIS A 44 -1.825 -7.836 5.725 1.00 0.00 C ATOM 631 CE1 HIS A 44 -2.909 -9.736 5.804 1.00 0.00 C ATOM 632 NE2 HIS A 44 -2.378 -8.721 6.546 1.00 0.00 N ATOM 0 H HIS A 44 -4.347 -8.624 1.913 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.443 -6.756 2.790 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.893 -8.355 2.622 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.996 -6.756 3.331 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.327 -6.925 6.021 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.426 -10.602 6.190 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -2.402 -8.653 7.563 1.00 0.00 H new ATOM 640 N VAL A 45 -3.303 -5.900 0.336 1.00 0.00 N ATOM 641 CA VAL A 45 -3.049 -5.036 -0.804 1.00 0.00 C ATOM 642 C VAL A 45 -3.454 -3.603 -0.454 1.00 0.00 C ATOM 643 O VAL A 45 -3.041 -2.656 -1.121 1.00 0.00 O ATOM 644 CB VAL A 45 -3.771 -5.575 -2.041 1.00 0.00 C ATOM 645 CG1 VAL A 45 -2.871 -6.528 -2.829 1.00 0.00 C ATOM 646 CG2 VAL A 45 -5.086 -6.256 -1.654 1.00 0.00 C ATOM 0 H VAL A 45 -4.290 -6.046 0.548 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.986 -5.024 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.009 -4.729 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.408 -6.897 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.974 -5.999 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.588 -7.369 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.580 -6.630 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.881 -7.087 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.736 -5.536 -1.156 1.00 0.00 H new ATOM 656 N ASN A 46 -4.258 -3.488 0.594 1.00 0.00 N ATOM 657 CA ASN A 46 -4.723 -2.187 1.042 1.00 0.00 C ATOM 658 C ASN A 46 -3.900 -1.745 2.253 1.00 0.00 C ATOM 659 O ASN A 46 -3.661 -0.553 2.445 1.00 0.00 O ATOM 660 CB ASN A 46 -6.193 -2.242 1.463 1.00 0.00 C ATOM 661 CG ASN A 46 -7.074 -1.466 0.481 1.00 0.00 C ATOM 662 OD1 ASN A 46 -7.913 -2.018 -0.209 1.00 0.00 O ATOM 663 ND2 ASN A 46 -6.836 -0.158 0.460 1.00 0.00 N ATOM 0 H ASN A 46 -4.599 -4.276 1.145 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.611 -1.486 0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.523 -3.280 1.511 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.304 -1.826 2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.372 0.448 -0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.117 0.239 1.065 1.00 0.00 H new ATOM 669 N CYS A 47 -3.490 -2.729 3.040 1.00 0.00 N ATOM 670 CA CYS A 47 -2.700 -2.457 4.228 1.00 0.00 C ATOM 671 C CYS A 47 -1.463 -1.659 3.810 1.00 0.00 C ATOM 672 O CYS A 47 -0.963 -0.835 4.575 1.00 0.00 O ATOM 673 CB CYS A 47 -2.325 -3.743 4.967 1.00 0.00 C ATOM 674 SG CYS A 47 -3.477 -4.022 6.362 1.00 0.00 S ATOM 0 H CYS A 47 -3.690 -3.716 2.878 1.00 0.00 H new ATOM 0 HA CYS A 47 -3.290 -1.871 4.932 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.360 -4.590 4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.302 -3.674 5.337 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.151 -5.118 6.981 1.00 0.00 H new ATOM 679 N THR A 48 -1.004 -1.931 2.597 1.00 0.00 N ATOM 680 CA THR A 48 0.164 -1.250 2.068 1.00 0.00 C ATOM 681 C THR A 48 -0.087 0.257 1.991 1.00 0.00 C ATOM 682 O THR A 48 0.825 1.054 2.205 1.00 0.00 O ATOM 683 CB THR A 48 0.507 -1.879 0.716 1.00 0.00 C ATOM 684 OG1 THR A 48 1.921 -1.731 0.613 1.00 0.00 O ATOM 685 CG2 THR A 48 -0.040 -1.070 -0.462 1.00 0.00 C ATOM 0 H THR A 48 -1.421 -2.615 1.965 1.00 0.00 H new ATOM 0 HA THR A 48 1.024 -1.371 2.726 1.00 0.00 H new ATOM 0 HB THR A 48 0.108 -2.893 0.676 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.229 -2.114 -0.235 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.231 -1.560 -1.397 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.126 -1.007 -0.387 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.384 -0.066 -0.442 1.00 0.00 H new ATOM 693 N ILE A 49 -1.329 0.603 1.684 1.00 0.00 N ATOM 694 CA ILE A 49 -1.711 2.000 1.575 1.00 0.00 C ATOM 695 C ILE A 49 -1.858 2.595 2.977 1.00 0.00 C ATOM 696 O ILE A 49 -1.550 3.766 3.194 1.00 0.00 O ATOM 697 CB ILE A 49 -2.965 2.147 0.711 1.00 0.00 C ATOM 698 CG1 ILE A 49 -2.861 1.295 -0.555 1.00 0.00 C ATOM 699 CG2 ILE A 49 -3.242 3.617 0.391 1.00 0.00 C ATOM 700 CD1 ILE A 49 -1.480 1.434 -1.198 1.00 0.00 C ATOM 0 H ILE A 49 -2.083 -0.061 1.507 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.933 2.569 1.066 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.817 1.776 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.048 0.249 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.629 1.599 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.139 3.693 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.391 4.170 1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.394 4.038 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.433 0.818 -2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.306 2.477 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.716 1.106 -0.493 1.00 0.00 H new ATOM 711 N LYS A 50 -2.329 1.760 3.893 1.00 0.00 N ATOM 712 CA LYS A 50 -2.520 2.189 5.268 1.00 0.00 C ATOM 713 C LYS A 50 -1.215 2.789 5.797 1.00 0.00 C ATOM 714 O LYS A 50 -1.238 3.718 6.603 1.00 0.00 O ATOM 715 CB LYS A 50 -3.056 1.036 6.119 1.00 0.00 C ATOM 716 CG LYS A 50 -4.375 0.505 5.555 1.00 0.00 C ATOM 717 CD LYS A 50 -5.559 1.332 6.062 1.00 0.00 C ATOM 718 CE LYS A 50 -5.807 1.081 7.550 1.00 0.00 C ATOM 719 NZ LYS A 50 -5.108 2.095 8.370 1.00 0.00 N ATOM 0 H LYS A 50 -2.584 0.789 3.709 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.276 2.973 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.321 0.232 6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.205 1.375 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.347 0.533 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.505 -0.538 5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.364 2.392 5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.454 1.079 5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.877 1.112 7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.459 0.084 7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.637 2.254 9.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.151 1.758 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.044 2.987 7.839 1.00 0.00 H new ATOM 729 N GLU A 51 -0.110 2.233 5.322 1.00 0.00 N ATOM 730 CA GLU A 51 1.201 2.703 5.737 1.00 0.00 C ATOM 731 C GLU A 51 1.337 4.203 5.471 1.00 0.00 C ATOM 732 O GLU A 51 1.976 4.918 6.241 1.00 0.00 O ATOM 733 CB GLU A 51 2.311 1.918 5.034 1.00 0.00 C ATOM 734 CG GLU A 51 2.727 2.604 3.731 1.00 0.00 C ATOM 735 CD GLU A 51 3.738 1.752 2.961 1.00 0.00 C ATOM 736 OE1 GLU A 51 4.904 1.710 3.410 1.00 0.00 O ATOM 737 OE2 GLU A 51 3.322 1.162 1.941 1.00 0.00 O ATOM 0 H GLU A 51 -0.095 1.462 4.654 1.00 0.00 H new ATOM 0 HA GLU A 51 1.304 2.534 6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.174 1.830 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.967 0.905 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.848 2.780 3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.161 3.579 3.952 1.00 0.00 H new ATOM 742 N LEU A 52 0.726 4.635 4.378 1.00 0.00 N ATOM 743 CA LEU A 52 0.770 6.038 4.001 1.00 0.00 C ATOM 744 C LEU A 52 -0.012 6.862 5.026 1.00 0.00 C ATOM 745 O LEU A 52 0.499 7.848 5.554 1.00 0.00 O ATOM 746 CB LEU A 52 0.281 6.222 2.562 1.00 0.00 C ATOM 747 CG LEU A 52 1.353 6.130 1.474 1.00 0.00 C ATOM 748 CD1 LEU A 52 1.522 4.688 0.990 1.00 0.00 C ATOM 749 CD2 LEU A 52 1.047 7.088 0.321 1.00 0.00 C ATOM 0 H LEU A 52 0.198 4.039 3.741 1.00 0.00 H new ATOM 0 HA LEU A 52 1.797 6.404 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.481 5.469 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.204 7.195 2.485 1.00 0.00 H new ATOM 0 HG LEU A 52 2.305 6.438 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.290 4.651 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.819 4.056 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.578 4.329 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.824 7.003 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.082 6.834 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.017 8.111 0.696 1.00 0.00 H new ATOM 760 N ARG A 53 -1.239 6.428 5.275 1.00 0.00 N ATOM 761 CA ARG A 53 -2.097 7.113 6.226 1.00 0.00 C ATOM 762 C ARG A 53 -1.536 6.972 7.644 1.00 0.00 C ATOM 763 O ARG A 53 -1.672 7.880 8.462 1.00 0.00 O ATOM 764 CB ARG A 53 -3.519 6.552 6.189 1.00 0.00 C ATOM 765 CG ARG A 53 -3.956 6.261 4.753 1.00 0.00 C ATOM 766 CD ARG A 53 -3.534 7.390 3.811 1.00 0.00 C ATOM 767 NE ARG A 53 -3.761 8.701 4.459 1.00 0.00 N ATOM 768 CZ ARG A 53 -3.150 9.835 4.093 1.00 0.00 C ATOM 769 NH1 ARG A 53 -2.271 9.828 3.082 1.00 0.00 N ATOM 770 NH2 ARG A 53 -3.418 10.979 4.738 1.00 0.00 N ATOM 0 H ARG A 53 -1.659 5.610 4.834 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.128 8.166 5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.569 5.638 6.780 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.207 7.264 6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.517 5.321 4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.038 6.138 4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.481 7.282 3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.101 7.331 2.882 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.424 8.743 5.233 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.066 8.958 2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.806 10.692 2.804 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.087 10.986 5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.953 11.843 4.459 1.00 0.00 H new ATOM 781 N ARG A 54 -0.918 5.826 7.890 1.00 0.00 N ATOM 782 CA ARG A 54 -0.337 5.553 9.192 1.00 0.00 C ATOM 783 C ARG A 54 0.680 4.415 9.093 1.00 0.00 C ATOM 784 O ARG A 54 1.201 3.954 10.107 1.00 0.00 O ATOM 785 CB ARG A 54 -1.417 5.177 10.209 1.00 0.00 C ATOM 786 CG ARG A 54 -1.867 3.727 10.019 1.00 0.00 C ATOM 787 CD ARG A 54 -3.012 3.380 10.973 1.00 0.00 C ATOM 788 NE ARG A 54 -2.585 2.315 11.909 1.00 0.00 N ATOM 789 CZ ARG A 54 -1.938 2.541 13.060 1.00 0.00 C ATOM 790 NH1 ARG A 54 -1.639 3.795 13.426 1.00 0.00 N ATOM 791 NH2 ARG A 54 -1.590 1.513 13.846 1.00 0.00 N ATOM 0 H ARG A 54 -0.807 5.075 7.208 1.00 0.00 H new ATOM 0 HA ARG A 54 0.163 6.461 9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.033 5.313 11.220 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.272 5.844 10.100 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.188 3.574 8.989 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.026 3.055 10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.313 4.267 11.531 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.882 3.050 10.405 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.797 1.348 11.662 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.904 4.578 12.828 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.146 3.967 14.302 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.818 0.558 13.568 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.097 1.685 14.722 1.00 0.00 H new TER 802 ARG A 54