USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 454 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 69 LYS NZ :NH3+ -151:sc= 1.67 (180deg=0.738) USER MOD Set 1.2: A 71 TYR OH : rot 129:sc= 1.57 USER MOD Set 2.1: A 23 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.18) USER MOD Set 2.2: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 19 TYR OH : rot -121:sc= 1.14 USER MOD Set 3.2: A 35 ASN : amide:sc= 0.563 K(o=1.7,f=-0.29!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 24 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.2) USER MOD Single : A 28 SER OG : rot 180:sc= 0.498 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=-0.46) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.864 K(o=0.86,f=-0.26) USER MOD Single : A 56 GLN : amide:sc= -0.0735 X(o=-0.074,f=-0.23) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N ALA A 12 1.481 2.272 -0.488 1.00 0.00 N ATOM 9 CA ALA A 12 1.863 3.671 -0.645 1.00 0.00 C ATOM 10 C ALA A 12 2.021 4.354 0.707 1.00 0.00 C ATOM 11 O ALA A 12 2.962 5.117 0.921 1.00 0.00 O ATOM 12 CB ALA A 12 0.841 4.407 -1.498 1.00 0.00 C ATOM 0 HA ALA A 12 2.828 3.702 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.140 5.450 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.786 3.942 -2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.136 4.358 -1.018 1.00 0.00 H new ATOM 18 N PRO A 13 1.094 4.075 1.618 1.00 0.00 N ATOM 19 CA PRO A 13 1.144 4.639 2.961 1.00 0.00 C ATOM 20 C PRO A 13 2.466 4.316 3.645 1.00 0.00 C ATOM 21 O PRO A 13 3.046 5.161 4.327 1.00 0.00 O ATOM 22 CB PRO A 13 -0.049 4.001 3.680 1.00 0.00 C ATOM 23 CG PRO A 13 -1.007 3.668 2.587 1.00 0.00 C ATOM 24 CD PRO A 13 -0.153 3.220 1.431 1.00 0.00 C ATOM 0 HA PRO A 13 1.085 5.727 2.964 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.250 3.110 4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.492 4.688 4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.696 2.882 2.894 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.611 4.534 2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.071 2.154 1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.635 3.404 0.471 1.00 0.00 H new ATOM 32 N GLY A 14 2.938 3.088 3.459 1.00 0.00 N ATOM 33 CA GLY A 14 4.200 2.655 4.047 1.00 0.00 C ATOM 34 C GLY A 14 5.381 3.373 3.406 1.00 0.00 C ATOM 35 O GLY A 14 6.315 3.787 4.093 1.00 0.00 O ATOM 0 H GLY A 14 2.465 2.374 2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.191 2.850 5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.313 1.578 3.920 1.00 0.00 H new ATOM 39 N ILE A 15 5.334 3.516 2.086 1.00 0.00 N ATOM 40 CA ILE A 15 6.378 4.225 1.356 1.00 0.00 C ATOM 41 C ILE A 15 6.449 5.688 1.776 1.00 0.00 C ATOM 42 O ILE A 15 7.532 6.227 2.001 1.00 0.00 O ATOM 43 CB ILE A 15 6.154 4.148 -0.166 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.346 2.713 -0.662 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.097 5.096 -0.890 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.864 2.487 -2.077 1.00 0.00 C ATOM 0 H ILE A 15 4.584 3.150 1.500 1.00 0.00 H new ATOM 0 HA ILE A 15 7.320 3.735 1.601 1.00 0.00 H new ATOM 0 HB ILE A 15 5.130 4.452 -0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.404 2.457 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.816 2.034 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.926 5.029 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.914 6.117 -0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.129 4.822 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.033 1.447 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.799 2.711 -2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.412 3.140 -2.757 1.00 0.00 H new ATOM 58 N ILE A 16 5.287 6.324 1.881 1.00 0.00 N ATOM 59 CA ILE A 16 5.219 7.742 2.214 1.00 0.00 C ATOM 60 C ILE A 16 5.645 7.992 3.654 1.00 0.00 C ATOM 61 O ILE A 16 6.410 8.915 3.935 1.00 0.00 O ATOM 62 CB ILE A 16 3.801 8.303 2.003 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.446 8.312 0.513 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.690 9.704 2.588 1.00 0.00 C ATOM 65 CD1 ILE A 16 1.984 8.575 0.236 1.00 0.00 C ATOM 0 H ILE A 16 4.380 5.880 1.740 1.00 0.00 H new ATOM 0 HA ILE A 16 5.907 8.256 1.542 1.00 0.00 H new ATOM 0 HB ILE A 16 3.093 7.657 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.044 9.073 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.722 7.352 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.681 10.085 2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.902 9.670 3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.407 10.361 2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.810 8.566 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.379 7.800 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.706 9.548 0.640 1.00 0.00 H new ATOM 77 N LEU A 17 5.145 7.164 4.566 1.00 0.00 N ATOM 78 CA LEU A 17 5.478 7.291 5.980 1.00 0.00 C ATOM 79 C LEU A 17 6.979 7.157 6.206 1.00 0.00 C ATOM 80 O LEU A 17 7.588 7.977 6.894 1.00 0.00 O ATOM 81 CB LEU A 17 4.721 6.238 6.798 1.00 0.00 C ATOM 82 CG LEU A 17 4.995 6.262 8.307 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.619 7.620 8.885 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.208 5.152 8.987 1.00 0.00 C ATOM 0 H LEU A 17 4.507 6.398 4.351 1.00 0.00 H new ATOM 0 HA LEU A 17 5.175 8.284 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.652 6.376 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.977 5.250 6.414 1.00 0.00 H new ATOM 0 HG LEU A 17 6.058 6.097 8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.817 7.627 9.957 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.210 8.398 8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.560 7.809 8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.404 5.171 10.059 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.143 5.301 8.810 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.512 4.188 8.579 1.00 0.00 H new ATOM 96 N ARG A 18 7.571 6.120 5.623 1.00 0.00 N ATOM 97 CA ARG A 18 9.005 5.889 5.745 1.00 0.00 C ATOM 98 C ARG A 18 9.801 7.003 5.078 1.00 0.00 C ATOM 99 O ARG A 18 10.855 7.406 5.569 1.00 0.00 O ATOM 100 CB ARG A 18 9.413 4.521 5.218 1.00 0.00 C ATOM 101 CG ARG A 18 8.965 3.347 6.074 1.00 0.00 C ATOM 102 CD ARG A 18 9.273 2.015 5.494 1.00 0.00 C ATOM 103 NE ARG A 18 8.831 0.889 6.302 1.00 0.00 N ATOM 104 CZ ARG A 18 8.923 -0.402 5.931 1.00 0.00 C ATOM 105 NH1 ARG A 18 9.404 -0.736 4.753 1.00 0.00 N ATOM 106 NH2 ARG A 18 8.494 -1.327 6.772 1.00 0.00 N ATOM 0 H ARG A 18 7.079 5.426 5.061 1.00 0.00 H new ATOM 0 HA ARG A 18 9.242 5.900 6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.005 4.397 4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.499 4.492 5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.440 3.423 7.052 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.890 3.420 6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.809 1.945 4.510 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.350 1.938 5.344 1.00 0.00 H new ATOM 0 HE ARG A 18 8.422 1.092 7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.714 -0.012 4.105 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.467 -1.719 4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.106 -1.055 7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.551 -2.313 6.518 1.00 0.00 H new ATOM 120 N TYR A 19 9.289 7.499 3.956 1.00 0.00 N ATOM 121 CA TYR A 19 9.896 8.636 3.274 1.00 0.00 C ATOM 122 C TYR A 19 9.957 9.856 4.185 1.00 0.00 C ATOM 123 O TYR A 19 11.004 10.488 4.322 1.00 0.00 O ATOM 124 CB TYR A 19 9.120 8.972 1.999 1.00 0.00 C ATOM 125 CG TYR A 19 9.537 10.274 1.352 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.725 10.367 0.641 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.741 11.406 1.453 1.00 0.00 C ATOM 128 CE1 TYR A 19 11.111 11.554 0.048 1.00 0.00 C ATOM 129 CE2 TYR A 19 9.118 12.597 0.863 1.00 0.00 C ATOM 130 CZ TYR A 19 10.304 12.668 0.161 1.00 0.00 C ATOM 131 OH TYR A 19 10.683 13.852 -0.427 1.00 0.00 O ATOM 0 H TYR A 19 8.454 7.131 3.500 1.00 0.00 H new ATOM 0 HA TYR A 19 10.915 8.358 3.006 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.252 8.162 1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.057 9.019 2.234 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.359 9.497 0.550 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.812 11.355 2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.039 11.610 -0.501 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.487 13.469 0.951 1.00 0.00 H new ATOM 0 HH TYR A 19 10.753 14.550 0.258 1.00 0.00 H new ATOM 141 N LEU A 20 8.829 10.181 4.806 1.00 0.00 N ATOM 142 CA LEU A 20 8.725 11.381 5.628 1.00 0.00 C ATOM 143 C LEU A 20 9.600 11.275 6.871 1.00 0.00 C ATOM 144 O LEU A 20 10.155 12.270 7.337 1.00 0.00 O ATOM 145 CB LEU A 20 7.263 11.628 6.024 1.00 0.00 C ATOM 146 CG LEU A 20 6.335 12.033 4.872 1.00 0.00 C ATOM 147 CD1 LEU A 20 4.892 12.074 5.354 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.760 13.389 4.328 1.00 0.00 C ATOM 0 H LEU A 20 7.972 9.630 4.756 1.00 0.00 H new ATOM 0 HA LEU A 20 9.080 12.226 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.870 10.722 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.236 12.409 6.783 1.00 0.00 H new ATOM 0 HG LEU A 20 6.407 11.296 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.241 12.363 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.602 11.088 5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.799 12.801 6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.100 13.676 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.700 14.134 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.785 13.330 3.963 1.00 0.00 H new ATOM 160 N GLN A 21 9.720 10.063 7.402 1.00 0.00 N ATOM 161 CA GLN A 21 10.534 9.824 8.587 1.00 0.00 C ATOM 162 C GLN A 21 12.019 9.926 8.264 1.00 0.00 C ATOM 163 O GLN A 21 12.789 10.519 9.019 1.00 0.00 O ATOM 164 CB GLN A 21 10.228 8.446 9.179 1.00 0.00 C ATOM 165 CG GLN A 21 8.894 8.361 9.902 1.00 0.00 C ATOM 166 CD GLN A 21 8.579 6.954 10.372 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.302 6.004 10.059 1.00 0.00 O ATOM 168 NE2 GLN A 21 7.493 6.811 11.123 1.00 0.00 N ATOM 0 H GLN A 21 9.263 9.230 7.030 1.00 0.00 H new ATOM 0 HA GLN A 21 10.286 10.592 9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.242 7.707 8.378 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.023 8.177 9.874 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.905 9.034 10.760 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.101 8.705 9.238 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.924 7.625 11.357 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.228 5.888 11.465 1.00 0.00 H new ATOM 177 N GLU A 22 12.416 9.344 7.137 1.00 0.00 N ATOM 178 CA GLU A 22 13.818 9.325 6.737 1.00 0.00 C ATOM 179 C GLU A 22 14.305 10.721 6.371 1.00 0.00 C ATOM 180 O GLU A 22 15.458 11.071 6.621 1.00 0.00 O ATOM 181 CB GLU A 22 14.025 8.370 5.560 1.00 0.00 C ATOM 182 CG GLU A 22 13.941 6.895 5.924 1.00 0.00 C ATOM 183 CD GLU A 22 13.990 6.025 4.699 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.017 6.559 3.615 1.00 0.00 O ATOM 185 OE2 GLU A 22 14.114 4.832 4.845 1.00 0.00 O ATOM 0 H GLU A 22 11.786 8.879 6.484 1.00 0.00 H new ATOM 0 HA GLU A 22 14.403 8.972 7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.277 8.586 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.001 8.567 5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.764 6.635 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.017 6.705 6.470 1.00 0.00 H new ATOM 192 N GLN A 23 13.420 11.514 5.778 1.00 0.00 N ATOM 193 CA GLN A 23 13.756 12.877 5.383 1.00 0.00 C ATOM 194 C GLN A 23 13.626 13.839 6.557 1.00 0.00 C ATOM 195 O GLN A 23 14.406 14.782 6.688 1.00 0.00 O ATOM 196 CB GLN A 23 12.857 13.339 4.234 1.00 0.00 C ATOM 197 CG GLN A 23 13.028 12.545 2.950 1.00 0.00 C ATOM 198 CD GLN A 23 14.456 12.571 2.439 1.00 0.00 C ATOM 199 OE1 GLN A 23 15.075 13.634 2.343 1.00 0.00 O ATOM 200 NE2 GLN A 23 14.986 11.401 2.103 1.00 0.00 N ATOM 0 H GLN A 23 12.463 11.236 5.560 1.00 0.00 H new ATOM 0 HA GLN A 23 14.794 12.878 5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.817 13.273 4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.061 14.390 4.028 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.725 11.512 3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.364 12.949 2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.438 10.546 2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.942 11.357 1.749 1.00 0.00 H new ATOM 209 N ASN A 24 12.635 13.595 7.407 1.00 0.00 N ATOM 210 CA ASN A 24 12.402 14.438 8.574 1.00 0.00 C ATOM 211 C ASN A 24 12.101 15.874 8.165 1.00 0.00 C ATOM 212 O ASN A 24 12.491 16.820 8.850 1.00 0.00 O ATOM 213 CB ASN A 24 13.580 14.401 9.530 1.00 0.00 C ATOM 214 CG ASN A 24 13.237 14.827 10.930 1.00 0.00 C ATOM 215 OD1 ASN A 24 12.101 14.668 11.388 1.00 0.00 O ATOM 216 ND2 ASN A 24 14.191 15.443 11.583 1.00 0.00 N ATOM 0 H ASN A 24 11.979 12.820 7.310 1.00 0.00 H new ATOM 0 HA ASN A 24 11.531 14.036 9.092 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.983 13.389 9.556 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.369 15.048 9.146 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.012 15.817 12.515 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.113 15.548 11.160 1.00 0.00 H new ATOM 223 N ARG A 25 11.405 16.032 7.044 1.00 0.00 N ATOM 224 CA ARG A 25 11.081 17.354 6.523 1.00 0.00 C ATOM 225 C ARG A 25 9.650 17.404 6.002 1.00 0.00 C ATOM 226 O ARG A 25 9.104 16.394 5.560 1.00 0.00 O ATOM 227 CB ARG A 25 12.074 17.815 5.466 1.00 0.00 C ATOM 228 CG ARG A 25 13.495 18.013 5.969 1.00 0.00 C ATOM 229 CD ARG A 25 13.666 19.177 6.877 1.00 0.00 C ATOM 230 NE ARG A 25 15.045 19.454 7.247 1.00 0.00 N ATOM 231 CZ ARG A 25 15.696 18.865 8.270 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.090 17.996 9.047 1.00 0.00 N ATOM 233 NH2 ARG A 25 16.956 19.203 8.484 1.00 0.00 N ATOM 0 H ARG A 25 11.054 15.259 6.478 1.00 0.00 H new ATOM 0 HA ARG A 25 11.160 18.054 7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.088 17.084 4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.720 18.754 5.040 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.812 17.110 6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.158 18.135 5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.247 20.061 6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.087 19.003 7.784 1.00 0.00 H new ATOM 0 HE ARG A 25 15.555 20.142 6.694 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.112 17.758 8.880 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.597 17.559 9.817 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.408 19.892 7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.476 18.775 9.250 1.00 0.00 H new ATOM 247 N PRO A 26 9.047 18.586 6.057 1.00 0.00 N ATOM 248 CA PRO A 26 7.697 18.783 5.543 1.00 0.00 C ATOM 249 C PRO A 26 7.681 18.775 4.019 1.00 0.00 C ATOM 250 O PRO A 26 8.532 19.391 3.377 1.00 0.00 O ATOM 251 CB PRO A 26 7.271 20.139 6.116 1.00 0.00 C ATOM 252 CG PRO A 26 8.547 20.891 6.278 1.00 0.00 C ATOM 253 CD PRO A 26 9.575 19.857 6.655 1.00 0.00 C ATOM 0 HA PRO A 26 7.014 17.986 5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.587 20.657 5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.755 20.023 7.069 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.823 21.401 5.355 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.457 21.656 7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.558 20.108 6.256 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.681 19.775 7.737 1.00 0.00 H new ATOM 261 N TYR A 27 6.708 18.074 3.447 1.00 0.00 N ATOM 262 CA TYR A 27 6.542 18.036 1.999 1.00 0.00 C ATOM 263 C TYR A 27 5.081 18.219 1.608 1.00 0.00 C ATOM 264 O TYR A 27 4.182 17.677 2.253 1.00 0.00 O ATOM 265 CB TYR A 27 7.075 16.718 1.433 1.00 0.00 C ATOM 266 CG TYR A 27 8.567 16.535 1.608 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.461 17.096 0.710 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.075 15.800 2.669 1.00 0.00 C ATOM 269 CE1 TYR A 27 10.825 16.933 0.864 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.436 15.630 2.833 1.00 0.00 C ATOM 271 CZ TYR A 27 11.308 16.199 1.927 1.00 0.00 C ATOM 272 OH TYR A 27 12.665 16.032 2.085 1.00 0.00 O ATOM 0 H TYR A 27 6.022 17.524 3.964 1.00 0.00 H new ATOM 0 HA TYR A 27 7.115 18.861 1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.558 15.890 1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.834 16.666 0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.086 17.670 -0.124 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.395 15.353 3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.509 17.378 0.156 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.815 15.055 3.665 1.00 0.00 H new ATOM 0 HH TYR A 27 13.135 16.811 1.720 1.00 0.00 H new ATOM 282 N SER A 28 4.849 18.984 0.547 1.00 0.00 N ATOM 283 CA SER A 28 3.499 19.202 0.039 1.00 0.00 C ATOM 284 C SER A 28 2.944 17.939 -0.607 1.00 0.00 C ATOM 285 O SER A 28 3.683 16.992 -0.876 1.00 0.00 O ATOM 286 CB SER A 28 3.493 20.349 -0.952 1.00 0.00 C ATOM 287 OG SER A 28 4.069 19.988 -2.177 1.00 0.00 O ATOM 0 H SER A 28 5.579 19.464 0.021 1.00 0.00 H new ATOM 0 HA SER A 28 2.856 19.458 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.468 20.680 -1.117 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.037 21.195 -0.531 1.00 0.00 H new ATOM 0 HG SER A 28 4.045 20.754 -2.788 1.00 0.00 H new ATOM 293 N ALA A 29 1.639 17.932 -0.855 1.00 0.00 N ATOM 294 CA ALA A 29 1.003 16.840 -1.582 1.00 0.00 C ATOM 295 C ALA A 29 1.676 16.609 -2.929 1.00 0.00 C ATOM 296 O ALA A 29 1.784 15.474 -3.394 1.00 0.00 O ATOM 297 CB ALA A 29 -0.481 17.120 -1.766 1.00 0.00 C ATOM 0 H ALA A 29 1.000 18.672 -0.563 1.00 0.00 H new ATOM 0 HA ALA A 29 1.116 15.930 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.942 16.296 -2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.956 17.221 -0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.610 18.044 -2.329 1.00 0.00 H new ATOM 303 N GLN A 30 2.125 17.692 -3.553 1.00 0.00 N ATOM 304 CA GLN A 30 2.796 17.609 -4.845 1.00 0.00 C ATOM 305 C GLN A 30 4.238 17.147 -4.688 1.00 0.00 C ATOM 306 O GLN A 30 4.759 16.410 -5.526 1.00 0.00 O ATOM 307 CB GLN A 30 2.762 18.965 -5.555 1.00 0.00 C ATOM 308 CG GLN A 30 1.380 19.390 -6.020 1.00 0.00 C ATOM 309 CD GLN A 30 1.389 20.745 -6.702 1.00 0.00 C ATOM 310 OE1 GLN A 30 2.421 21.420 -6.757 1.00 0.00 O ATOM 311 NE2 GLN A 30 0.237 21.154 -7.221 1.00 0.00 N ATOM 0 H GLN A 30 2.036 18.639 -3.185 1.00 0.00 H new ATOM 0 HA GLN A 30 2.262 16.875 -5.448 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.156 19.725 -4.881 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.428 18.928 -6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.986 18.643 -6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.706 19.422 -5.164 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.592 20.563 -7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.181 22.059 -7.688 1.00 0.00 H new ATOM 320 N ASP A 31 4.881 17.585 -3.610 1.00 0.00 N ATOM 321 CA ASP A 31 6.244 17.164 -3.308 1.00 0.00 C ATOM 322 C ASP A 31 6.329 15.653 -3.136 1.00 0.00 C ATOM 323 O ASP A 31 7.182 14.998 -3.734 1.00 0.00 O ATOM 324 CB ASP A 31 6.754 17.867 -2.048 1.00 0.00 C ATOM 325 CG ASP A 31 7.014 19.357 -2.219 1.00 0.00 C ATOM 326 OD1 ASP A 31 7.117 19.797 -3.341 1.00 0.00 O ATOM 327 OD2 ASP A 31 6.949 20.068 -1.245 1.00 0.00 O ATOM 0 H ASP A 31 4.479 18.232 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 31 6.875 17.446 -4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.026 17.727 -1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.677 17.384 -1.726 1.00 0.00 H new ATOM 332 N VAL A 32 5.440 15.106 -2.313 1.00 0.00 N ATOM 333 CA VAL A 32 5.462 13.683 -1.999 1.00 0.00 C ATOM 334 C VAL A 32 5.172 12.841 -3.235 1.00 0.00 C ATOM 335 O VAL A 32 5.868 11.864 -3.510 1.00 0.00 O ATOM 336 CB VAL A 32 4.443 13.330 -0.899 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.349 11.822 -0.723 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.824 13.996 0.414 1.00 0.00 C ATOM 0 H VAL A 32 4.695 15.628 -1.851 1.00 0.00 H new ATOM 0 HA VAL A 32 6.465 13.458 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 32 3.465 13.703 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.625 11.591 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.030 11.366 -1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.325 11.427 -0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.093 13.736 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.811 13.653 0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.841 15.078 0.282 1.00 0.00 H new ATOM 348 N PHE A 33 4.139 13.225 -3.978 1.00 0.00 N ATOM 349 CA PHE A 33 3.779 12.531 -5.207 1.00 0.00 C ATOM 350 C PHE A 33 4.921 12.565 -6.215 1.00 0.00 C ATOM 351 O PHE A 33 5.388 11.523 -6.674 1.00 0.00 O ATOM 352 CB PHE A 33 2.519 13.146 -5.819 1.00 0.00 C ATOM 353 CG PHE A 33 2.260 12.715 -7.235 1.00 0.00 C ATOM 354 CD1 PHE A 33 2.039 11.380 -7.539 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.237 13.643 -8.265 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.801 10.982 -8.842 1.00 0.00 C ATOM 357 CE2 PHE A 33 1.998 13.248 -9.567 1.00 0.00 C ATOM 358 CZ PHE A 33 1.781 11.917 -9.856 1.00 0.00 C ATOM 0 H PHE A 33 3.536 14.015 -3.749 1.00 0.00 H new ATOM 0 HA PHE A 33 3.579 11.490 -4.955 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.660 12.878 -5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.605 14.232 -5.790 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.053 10.643 -6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.408 14.687 -8.047 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.631 9.939 -9.066 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.981 13.982 -10.359 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.596 11.607 -10.874 1.00 0.00 H new ATOM 368 N GLY A 34 5.367 13.769 -6.556 1.00 0.00 N ATOM 369 CA GLY A 34 6.377 13.949 -7.591 1.00 0.00 C ATOM 370 C GLY A 34 7.634 13.147 -7.278 1.00 0.00 C ATOM 371 O GLY A 34 8.208 12.505 -8.157 1.00 0.00 O ATOM 0 H GLY A 34 5.043 14.637 -6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.974 13.637 -8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.629 15.006 -7.678 1.00 0.00 H new ATOM 375 N ASN A 35 8.059 13.189 -6.019 1.00 0.00 N ATOM 376 CA ASN A 35 9.299 12.544 -5.606 1.00 0.00 C ATOM 377 C ASN A 35 9.168 11.026 -5.643 1.00 0.00 C ATOM 378 O ASN A 35 10.080 10.325 -6.081 1.00 0.00 O ATOM 379 CB ASN A 35 9.729 13.000 -4.225 1.00 0.00 C ATOM 380 CG ASN A 35 10.269 14.403 -4.192 1.00 0.00 C ATOM 381 OD1 ASN A 35 10.669 14.960 -5.220 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.359 14.946 -3.004 1.00 0.00 N ATOM 0 H ASN A 35 7.561 13.664 -5.266 1.00 0.00 H new ATOM 0 HA ASN A 35 10.069 12.842 -6.317 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.877 12.932 -3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.491 12.318 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.775 15.871 -2.896 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.013 14.444 -2.186 1.00 0.00 H new ATOM 389 N LEU A 36 8.028 10.524 -5.179 1.00 0.00 N ATOM 390 CA LEU A 36 7.804 9.086 -5.091 1.00 0.00 C ATOM 391 C LEU A 36 7.281 8.528 -6.409 1.00 0.00 C ATOM 392 O LEU A 36 7.227 7.314 -6.602 1.00 0.00 O ATOM 393 CB LEU A 36 6.827 8.771 -3.952 1.00 0.00 C ATOM 394 CG LEU A 36 7.298 9.186 -2.553 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.226 8.858 -1.522 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.601 8.471 -2.223 1.00 0.00 C ATOM 0 H LEU A 36 7.244 11.093 -4.858 1.00 0.00 H new ATOM 0 HA LEU A 36 8.760 8.607 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.879 9.267 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.632 7.699 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 36 7.473 10.262 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.570 9.157 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.310 9.396 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.030 7.786 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.936 8.766 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.441 7.393 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.360 8.741 -2.957 1.00 0.00 H new ATOM 408 N GLN A 37 6.897 9.422 -7.313 1.00 0.00 N ATOM 409 CA GLN A 37 6.493 9.028 -8.657 1.00 0.00 C ATOM 410 C GLN A 37 7.676 8.495 -9.455 1.00 0.00 C ATOM 411 O GLN A 37 7.548 7.524 -10.200 1.00 0.00 O ATOM 412 CB GLN A 37 5.862 10.211 -9.396 1.00 0.00 C ATOM 413 CG GLN A 37 5.391 9.886 -10.803 1.00 0.00 C ATOM 414 CD GLN A 37 4.858 11.106 -11.531 1.00 0.00 C ATOM 415 OE1 GLN A 37 5.011 12.239 -11.068 1.00 0.00 O ATOM 416 NE2 GLN A 37 4.223 10.880 -12.676 1.00 0.00 N ATOM 0 H GLN A 37 6.857 10.426 -7.139 1.00 0.00 H new ATOM 0 HA GLN A 37 5.756 8.231 -8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.014 10.577 -8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.588 11.023 -9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.218 9.460 -11.371 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.612 9.125 -10.756 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.119 9.926 -13.022 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.839 11.660 -13.209 1.00 0.00 H new ATOM 425 N LYS A 38 8.828 9.137 -9.293 1.00 0.00 N ATOM 426 CA LYS A 38 10.020 8.774 -10.051 1.00 0.00 C ATOM 427 C LYS A 38 10.771 7.631 -9.383 1.00 0.00 C ATOM 428 O LYS A 38 11.465 6.860 -10.045 1.00 0.00 O ATOM 429 CB LYS A 38 10.941 9.985 -10.215 1.00 0.00 C ATOM 430 CG LYS A 38 10.350 11.117 -11.045 1.00 0.00 C ATOM 431 CD LYS A 38 11.319 12.284 -11.158 1.00 0.00 C ATOM 432 CE LYS A 38 10.724 13.422 -11.974 1.00 0.00 C ATOM 433 NZ LYS A 38 11.661 14.571 -12.093 1.00 0.00 N ATOM 0 H LYS A 38 8.962 9.912 -8.643 1.00 0.00 H new ATOM 0 HA LYS A 38 9.698 8.439 -11.037 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.195 10.369 -9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.872 9.658 -10.679 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.102 10.750 -12.041 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.420 11.457 -10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.575 12.644 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.245 11.946 -11.623 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.467 13.059 -12.969 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.797 13.757 -11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.217 15.324 -12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.887 14.935 -11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.536 14.259 -12.561 1.00 0.00 H new ATOM 447 N GLU A 39 10.630 7.527 -8.065 1.00 0.00 N ATOM 448 CA GLU A 39 11.407 6.572 -7.284 1.00 0.00 C ATOM 449 C GLU A 39 10.680 5.239 -7.163 1.00 0.00 C ATOM 450 O GLU A 39 11.293 4.175 -7.254 1.00 0.00 O ATOM 451 CB GLU A 39 11.707 7.135 -5.894 1.00 0.00 C ATOM 452 CG GLU A 39 12.642 8.336 -5.891 1.00 0.00 C ATOM 453 CD GLU A 39 12.855 8.860 -4.497 1.00 0.00 C ATOM 454 OE1 GLU A 39 12.272 8.321 -3.587 1.00 0.00 O ATOM 455 OE2 GLU A 39 13.684 9.722 -4.328 1.00 0.00 O ATOM 0 H GLU A 39 9.984 8.093 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 39 12.348 6.401 -7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.768 7.420 -5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.146 6.346 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.601 8.054 -6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.227 9.124 -6.519 1.00 0.00 H new ATOM 462 N HIS A 40 9.368 5.302 -6.958 1.00 0.00 N ATOM 463 CA HIS A 40 8.577 4.110 -6.682 1.00 0.00 C ATOM 464 C HIS A 40 7.514 3.893 -7.752 1.00 0.00 C ATOM 465 O HIS A 40 7.219 2.759 -8.128 1.00 0.00 O ATOM 466 CB HIS A 40 7.919 4.203 -5.302 1.00 0.00 C ATOM 467 CG HIS A 40 8.898 4.226 -4.169 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.440 5.395 -3.679 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.431 3.225 -3.432 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.266 5.111 -2.687 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.278 3.802 -2.517 1.00 0.00 N ATOM 0 H HIS A 40 8.830 6.168 -6.978 1.00 0.00 H new ATOM 0 HA HIS A 40 9.254 3.256 -6.693 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.308 5.104 -5.261 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.246 3.355 -5.172 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.229 2.170 -3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.834 5.828 -2.113 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.827 3.300 -1.819 1.00 0.00 H new ATOM 479 N GLY A 41 6.942 4.989 -8.239 1.00 0.00 N ATOM 480 CA GLY A 41 5.949 4.925 -9.305 1.00 0.00 C ATOM 481 C GLY A 41 4.534 4.967 -8.742 1.00 0.00 C ATOM 482 O GLY A 41 3.612 4.380 -9.309 1.00 0.00 O ATOM 0 H GLY A 41 7.149 5.933 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.095 5.758 -9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.087 4.010 -9.880 1.00 0.00 H new ATOM 486 N LEU A 42 4.367 5.664 -7.623 1.00 0.00 N ATOM 487 CA LEU A 42 3.062 5.789 -6.985 1.00 0.00 C ATOM 488 C LEU A 42 2.157 6.733 -7.765 1.00 0.00 C ATOM 489 O LEU A 42 2.611 7.747 -8.296 1.00 0.00 O ATOM 490 CB LEU A 42 3.224 6.277 -5.539 1.00 0.00 C ATOM 491 CG LEU A 42 3.986 5.323 -4.610 1.00 0.00 C ATOM 492 CD1 LEU A 42 4.128 5.944 -3.227 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.251 3.994 -4.532 1.00 0.00 C ATOM 0 H LEU A 42 5.121 6.152 -7.139 1.00 0.00 H new ATOM 0 HA LEU A 42 2.593 4.805 -6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.741 7.236 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.234 6.454 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 42 4.985 5.148 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.670 5.259 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.677 6.883 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.139 6.135 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.793 3.317 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.247 4.156 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.186 3.555 -5.528 1.00 0.00 H new ATOM 505 N GLY A 43 0.873 6.395 -7.828 1.00 0.00 N ATOM 506 CA GLY A 43 -0.101 7.213 -8.541 1.00 0.00 C ATOM 507 C GLY A 43 -0.503 8.432 -7.721 1.00 0.00 C ATOM 508 O GLY A 43 -0.300 8.469 -6.508 1.00 0.00 O ATOM 0 H GLY A 43 0.483 5.559 -7.393 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.319 7.535 -9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.985 6.616 -8.767 1.00 0.00 H new ATOM 512 N LYS A 44 -1.075 9.427 -8.390 1.00 0.00 N ATOM 513 CA LYS A 44 -1.460 10.671 -7.733 1.00 0.00 C ATOM 514 C LYS A 44 -2.554 10.432 -6.701 1.00 0.00 C ATOM 515 O LYS A 44 -2.452 10.883 -5.560 1.00 0.00 O ATOM 516 CB LYS A 44 -1.926 11.698 -8.766 1.00 0.00 C ATOM 517 CG LYS A 44 -2.259 13.066 -8.184 1.00 0.00 C ATOM 518 CD LYS A 44 -2.585 14.069 -9.281 1.00 0.00 C ATOM 519 CE LYS A 44 -2.942 15.430 -8.700 1.00 0.00 C ATOM 520 NZ LYS A 44 -3.285 16.415 -9.760 1.00 0.00 N ATOM 0 H LYS A 44 -1.283 9.396 -9.388 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.584 11.062 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.148 11.817 -9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.807 11.309 -9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.107 12.978 -7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.416 13.428 -7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.730 14.170 -9.950 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.416 13.698 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.785 15.323 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.103 15.805 -8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.522 17.328 -9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.472 16.537 -10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.102 16.070 -10.304 1.00 0.00 H new ATOM 534 N ALA A 45 -3.600 9.720 -7.107 1.00 0.00 N ATOM 535 CA ALA A 45 -4.688 9.373 -6.202 1.00 0.00 C ATOM 536 C ALA A 45 -4.203 8.464 -5.079 1.00 0.00 C ATOM 537 O ALA A 45 -4.669 8.560 -3.944 1.00 0.00 O ATOM 538 CB ALA A 45 -5.825 8.713 -6.969 1.00 0.00 C ATOM 0 H ALA A 45 -3.717 9.372 -8.059 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.058 10.294 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.630 8.460 -6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.200 9.401 -7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.461 7.805 -7.450 1.00 0.00 H new ATOM 544 N ALA A 46 -3.264 7.581 -5.403 1.00 0.00 N ATOM 545 CA ALA A 46 -2.701 6.666 -4.418 1.00 0.00 C ATOM 546 C ALA A 46 -1.965 7.425 -3.320 1.00 0.00 C ATOM 547 O ALA A 46 -2.121 7.126 -2.136 1.00 0.00 O ATOM 548 CB ALA A 46 -1.770 5.669 -5.093 1.00 0.00 C ATOM 0 H ALA A 46 -2.877 7.480 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.523 6.120 -3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.357 4.992 -4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.327 5.095 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.958 6.205 -5.585 1.00 0.00 H new ATOM 554 N VAL A 47 -1.163 8.406 -3.721 1.00 0.00 N ATOM 555 CA VAL A 47 -0.386 9.194 -2.772 1.00 0.00 C ATOM 556 C VAL A 47 -1.289 10.064 -1.907 1.00 0.00 C ATOM 557 O VAL A 47 -1.126 10.124 -0.688 1.00 0.00 O ATOM 558 CB VAL A 47 0.639 10.093 -3.491 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.247 11.091 -2.518 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.728 9.249 -4.135 1.00 0.00 C ATOM 0 H VAL A 47 -1.034 8.674 -4.697 1.00 0.00 H new ATOM 0 HA VAL A 47 0.146 8.485 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 47 0.121 10.646 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.968 11.717 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.459 11.717 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.750 10.555 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.443 9.900 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.242 8.670 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.281 8.571 -4.862 1.00 0.00 H new ATOM 570 N VAL A 48 -2.243 10.735 -2.544 1.00 0.00 N ATOM 571 CA VAL A 48 -3.143 11.639 -1.840 1.00 0.00 C ATOM 572 C VAL A 48 -4.006 10.887 -0.835 1.00 0.00 C ATOM 573 O VAL A 48 -4.182 11.327 0.301 1.00 0.00 O ATOM 574 CB VAL A 48 -4.058 12.401 -2.817 1.00 0.00 C ATOM 575 CG1 VAL A 48 -5.142 13.151 -2.059 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.244 13.362 -3.670 1.00 0.00 C ATOM 0 H VAL A 48 -2.412 10.669 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.515 12.356 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.537 11.676 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.778 13.683 -2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.745 12.443 -1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.681 13.865 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.907 13.892 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.738 14.081 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.503 12.803 -4.242 1.00 0.00 H new ATOM 586 N LYS A 49 -4.544 9.748 -1.260 1.00 0.00 N ATOM 587 CA LYS A 49 -5.367 8.918 -0.391 1.00 0.00 C ATOM 588 C LYS A 49 -4.535 8.288 0.720 1.00 0.00 C ATOM 589 O LYS A 49 -5.006 8.126 1.845 1.00 0.00 O ATOM 590 CB LYS A 49 -6.074 7.829 -1.200 1.00 0.00 C ATOM 591 CG LYS A 49 -7.184 8.340 -2.108 1.00 0.00 C ATOM 592 CD LYS A 49 -7.817 7.207 -2.900 1.00 0.00 C ATOM 593 CE LYS A 49 -8.911 7.721 -3.825 1.00 0.00 C ATOM 594 NZ LYS A 49 -9.541 6.622 -4.606 1.00 0.00 N ATOM 0 H LYS A 49 -4.424 9.379 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.118 9.561 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.335 7.308 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.494 7.096 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.946 8.838 -1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.781 9.085 -2.794 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.052 6.699 -3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.235 6.470 -2.214 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.674 8.231 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.491 8.458 -4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.280 7.014 -5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.819 6.151 -5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.965 5.931 -3.954 1.00 0.00 H new ATOM 608 N ALA A 50 -3.296 7.935 0.395 1.00 0.00 N ATOM 609 CA ALA A 50 -2.381 7.364 1.376 1.00 0.00 C ATOM 610 C ALA A 50 -1.991 8.392 2.431 1.00 0.00 C ATOM 611 O ALA A 50 -1.828 8.059 3.606 1.00 0.00 O ATOM 612 CB ALA A 50 -1.142 6.812 0.687 1.00 0.00 C ATOM 0 H ALA A 50 -2.902 8.034 -0.541 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.896 6.546 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.469 6.389 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.434 6.035 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.634 7.615 0.154 1.00 0.00 H new ATOM 618 N LEU A 51 -1.845 9.641 2.006 1.00 0.00 N ATOM 619 CA LEU A 51 -1.540 10.732 2.924 1.00 0.00 C ATOM 620 C LEU A 51 -2.658 10.923 3.943 1.00 0.00 C ATOM 621 O LEU A 51 -2.401 11.091 5.135 1.00 0.00 O ATOM 622 CB LEU A 51 -1.303 12.031 2.144 1.00 0.00 C ATOM 623 CG LEU A 51 0.030 12.105 1.389 1.00 0.00 C ATOM 624 CD1 LEU A 51 0.019 13.282 0.425 1.00 0.00 C ATOM 625 CD2 LEU A 51 1.173 12.234 2.386 1.00 0.00 C ATOM 0 H LEU A 51 -1.933 9.924 1.030 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.631 10.473 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.115 12.160 1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.355 12.868 2.840 1.00 0.00 H new ATOM 0 HG LEU A 51 0.171 11.192 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.970 13.326 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.792 13.157 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.129 14.207 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.120 12.287 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.040 13.140 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.179 11.368 3.047 1.00 0.00 H new ATOM 637 N ASP A 52 -3.897 10.894 3.466 1.00 0.00 N ATOM 638 CA ASP A 52 -5.057 11.017 4.341 1.00 0.00 C ATOM 639 C ASP A 52 -5.230 9.774 5.205 1.00 0.00 C ATOM 640 O ASP A 52 -5.663 9.861 6.353 1.00 0.00 O ATOM 641 CB ASP A 52 -6.324 11.266 3.520 1.00 0.00 C ATOM 642 CG ASP A 52 -6.427 12.666 2.930 1.00 0.00 C ATOM 643 OD1 ASP A 52 -5.679 13.520 3.345 1.00 0.00 O ATOM 644 OD2 ASP A 52 -7.137 12.834 1.968 1.00 0.00 O ATOM 0 H ASP A 52 -4.124 10.786 2.477 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.888 11.869 4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.365 10.539 2.709 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.193 11.087 4.153 1.00 0.00 H new ATOM 649 N GLN A 53 -4.888 8.619 4.645 1.00 0.00 N ATOM 650 CA GLN A 53 -4.958 7.361 5.380 1.00 0.00 C ATOM 651 C GLN A 53 -3.969 7.345 6.539 1.00 0.00 C ATOM 652 O GLN A 53 -4.292 6.885 7.635 1.00 0.00 O ATOM 653 CB GLN A 53 -4.680 6.180 4.448 1.00 0.00 C ATOM 654 CG GLN A 53 -4.805 4.819 5.113 1.00 0.00 C ATOM 655 CD GLN A 53 -6.209 4.548 5.619 1.00 0.00 C ATOM 656 OE1 GLN A 53 -7.197 4.835 4.935 1.00 0.00 O ATOM 657 NE2 GLN A 53 -6.308 3.997 6.823 1.00 0.00 N ATOM 0 H GLN A 53 -4.559 8.528 3.684 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.966 7.269 5.784 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.371 6.225 3.606 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.674 6.282 4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.522 4.043 4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.104 4.759 5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.465 3.776 7.354 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.227 3.794 7.217 1.00 0.00 H new ATOM 666 N LEU A 54 -2.765 7.847 6.290 1.00 0.00 N ATOM 667 CA LEU A 54 -1.746 7.943 7.328 1.00 0.00 C ATOM 668 C LEU A 54 -2.167 8.912 8.426 1.00 0.00 C ATOM 669 O LEU A 54 -2.046 8.610 9.613 1.00 0.00 O ATOM 670 CB LEU A 54 -0.407 8.377 6.717 1.00 0.00 C ATOM 671 CG LEU A 54 0.287 7.322 5.847 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.449 7.951 5.091 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.769 6.177 6.725 1.00 0.00 C ATOM 0 H LEU A 54 -2.471 8.194 5.377 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.627 6.957 7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.574 9.270 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.268 8.660 7.525 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.420 6.929 5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.935 7.194 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.077 8.752 4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.168 8.358 5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.262 5.427 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.473 6.557 7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.083 5.725 7.233 1.00 0.00 H new ATOM 685 N ALA A 55 -2.662 10.077 8.022 1.00 0.00 N ATOM 686 CA ALA A 55 -3.111 11.089 8.970 1.00 0.00 C ATOM 687 C ALA A 55 -4.274 10.579 9.811 1.00 0.00 C ATOM 688 O ALA A 55 -4.391 10.908 10.992 1.00 0.00 O ATOM 689 CB ALA A 55 -3.499 12.365 8.239 1.00 0.00 C ATOM 0 H ALA A 55 -2.762 10.344 7.043 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.284 11.310 9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.832 13.111 8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.637 12.748 7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.307 12.152 7.539 1.00 0.00 H new ATOM 695 N GLN A 56 -5.134 9.774 9.196 1.00 0.00 N ATOM 696 CA GLN A 56 -6.270 9.187 9.896 1.00 0.00 C ATOM 697 C GLN A 56 -5.810 8.228 10.987 1.00 0.00 C ATOM 698 O GLN A 56 -6.434 8.129 12.044 1.00 0.00 O ATOM 699 CB GLN A 56 -7.184 8.451 8.913 1.00 0.00 C ATOM 700 CG GLN A 56 -8.458 7.907 9.535 1.00 0.00 C ATOM 701 CD GLN A 56 -9.349 9.005 10.084 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.578 10.025 9.427 1.00 0.00 O ATOM 703 NE2 GLN A 56 -9.855 8.805 11.295 1.00 0.00 N ATOM 0 H GLN A 56 -5.065 9.513 8.212 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.826 10.000 10.363 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.450 9.130 8.103 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.629 7.625 8.467 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.009 7.336 8.788 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.201 7.216 10.338 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.639 7.947 11.802 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.459 9.509 11.718 1.00 0.00 H new ATOM 712 N GLU A 57 -4.715 7.523 10.724 1.00 0.00 N ATOM 713 CA GLU A 57 -4.202 6.529 11.659 1.00 0.00 C ATOM 714 C GLU A 57 -3.261 7.163 12.675 1.00 0.00 C ATOM 715 O GLU A 57 -2.830 6.512 13.627 1.00 0.00 O ATOM 716 CB GLU A 57 -3.484 5.407 10.907 1.00 0.00 C ATOM 717 CG GLU A 57 -4.407 4.480 10.128 1.00 0.00 C ATOM 718 CD GLU A 57 -3.627 3.435 9.380 1.00 0.00 C ATOM 719 OE1 GLU A 57 -2.864 2.733 9.999 1.00 0.00 O ATOM 720 OE2 GLU A 57 -3.876 3.261 8.210 1.00 0.00 O ATOM 0 H GLU A 57 -4.165 7.622 9.870 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.051 6.108 12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.767 5.850 10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.913 4.814 11.622 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.103 3.996 10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.004 5.063 9.426 1.00 0.00 H new ATOM 727 N GLY A 58 -2.947 8.438 12.468 1.00 0.00 N ATOM 728 CA GLY A 58 -2.080 9.172 13.383 1.00 0.00 C ATOM 729 C GLY A 58 -0.612 8.894 13.093 1.00 0.00 C ATOM 730 O GLY A 58 0.239 9.015 13.973 1.00 0.00 O ATOM 0 H GLY A 58 -3.280 8.985 11.674 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.275 10.241 13.294 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.310 8.890 14.411 1.00 0.00 H new ATOM 734 N LYS A 59 -0.320 8.521 11.851 1.00 0.00 N ATOM 735 CA LYS A 59 1.049 8.230 11.441 1.00 0.00 C ATOM 736 C LYS A 59 1.783 9.499 11.029 1.00 0.00 C ATOM 737 O LYS A 59 2.988 9.630 11.246 1.00 0.00 O ATOM 738 CB LYS A 59 1.061 7.220 10.292 1.00 0.00 C ATOM 739 CG LYS A 59 0.316 5.924 10.586 1.00 0.00 C ATOM 740 CD LYS A 59 0.971 5.157 11.724 1.00 0.00 C ATOM 741 CE LYS A 59 0.225 3.864 12.023 1.00 0.00 C ATOM 742 NZ LYS A 59 0.852 3.104 13.138 1.00 0.00 N ATOM 0 H LYS A 59 -1.014 8.413 11.111 1.00 0.00 H new ATOM 0 HA LYS A 59 1.568 7.799 12.297 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.621 7.686 9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.095 6.982 10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.719 6.147 10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.295 5.303 9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.005 4.931 11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.996 5.780 12.618 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.810 4.093 12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.203 3.243 11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.313 2.231 13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.832 2.863 12.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.850 3.687 14.000 1.00 0.00 H new ATOM 756 N ILE A 60 1.049 10.434 10.433 1.00 0.00 N ATOM 757 CA ILE A 60 1.621 11.711 10.023 1.00 0.00 C ATOM 758 C ILE A 60 0.710 12.870 10.407 1.00 0.00 C ATOM 759 O ILE A 60 -0.468 12.674 10.708 1.00 0.00 O ATOM 760 CB ILE A 60 1.879 11.753 8.506 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.559 11.658 7.737 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.821 10.631 8.096 1.00 0.00 C ATOM 763 CD1 ILE A 60 0.716 11.792 6.238 1.00 0.00 C ATOM 0 H ILE A 60 0.056 10.331 10.223 1.00 0.00 H new ATOM 0 HA ILE A 60 2.572 11.812 10.546 1.00 0.00 H new ATOM 0 HB ILE A 60 2.351 12.704 8.260 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.087 10.701 7.960 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.116 12.436 8.094 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.993 10.675 7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.770 10.743 8.620 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.376 9.670 8.353 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.261 11.714 5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.158 12.760 6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.364 10.998 5.868 1.00 0.00 H new ATOM 775 N LYS A 61 1.262 14.079 10.393 1.00 0.00 N ATOM 776 CA LYS A 61 0.473 15.284 10.617 1.00 0.00 C ATOM 777 C LYS A 61 0.295 16.073 9.326 1.00 0.00 C ATOM 778 O LYS A 61 1.015 15.858 8.351 1.00 0.00 O ATOM 779 CB LYS A 61 1.127 16.162 11.684 1.00 0.00 C ATOM 780 CG LYS A 61 1.168 15.539 13.073 1.00 0.00 C ATOM 781 CD LYS A 61 1.693 16.525 14.107 1.00 0.00 C ATOM 782 CE LYS A 61 1.635 15.940 15.510 1.00 0.00 C ATOM 783 NZ LYS A 61 2.079 16.919 16.539 1.00 0.00 N ATOM 0 H LYS A 61 2.254 14.250 10.229 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.512 14.977 10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.146 16.393 11.373 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.588 17.108 11.739 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.168 15.210 13.356 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.802 14.653 13.058 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.721 16.795 13.866 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.105 17.442 14.069 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.616 15.621 15.728 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.264 15.051 15.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.025 16.481 17.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.060 17.204 16.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.463 17.756 16.510 1.00 0.00 H new ATOM 797 N GLU A 62 -0.668 16.988 9.325 1.00 0.00 N ATOM 798 CA GLU A 62 -0.997 17.754 8.129 1.00 0.00 C ATOM 799 C GLU A 62 -1.235 19.221 8.463 1.00 0.00 C ATOM 800 O GLU A 62 -1.760 19.548 9.527 1.00 0.00 O ATOM 801 CB GLU A 62 -2.228 17.165 7.437 1.00 0.00 C ATOM 802 CG GLU A 62 -3.524 17.319 8.221 1.00 0.00 C ATOM 803 CD GLU A 62 -4.701 16.808 7.438 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.507 16.369 6.330 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.776 16.753 7.987 1.00 0.00 O ATOM 0 H GLU A 62 -1.235 17.218 10.141 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.147 17.693 7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.347 17.643 6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.053 16.105 7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.448 16.776 9.163 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.678 18.369 8.470 1.00 0.00 H new ATOM 915 N LYS A 69 -1.957 21.370 0.513 1.00 0.00 N ATOM 916 CA LYS A 69 -1.776 20.541 1.698 1.00 0.00 C ATOM 917 C LYS A 69 -0.313 20.165 1.890 1.00 0.00 C ATOM 918 O LYS A 69 0.374 19.798 0.937 1.00 0.00 O ATOM 919 CB LYS A 69 -2.636 19.278 1.604 1.00 0.00 C ATOM 920 CG LYS A 69 -4.137 19.537 1.606 1.00 0.00 C ATOM 921 CD LYS A 69 -4.601 20.091 2.945 1.00 0.00 C ATOM 922 CE LYS A 69 -4.333 19.108 4.075 1.00 0.00 C ATOM 923 NZ LYS A 69 -5.083 17.835 3.895 1.00 0.00 N ATOM 0 HA LYS A 69 -2.094 21.123 2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.373 18.741 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.391 18.624 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.388 20.241 0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.668 18.610 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.088 21.031 3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.667 20.313 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.265 18.896 4.125 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.613 19.563 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.286 17.417 4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.977 18.026 3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.511 17.171 3.335 1.00 0.00 H new ATOM 937 N ILE A 70 0.159 20.259 3.129 1.00 0.00 N ATOM 938 CA ILE A 70 1.518 19.850 3.464 1.00 0.00 C ATOM 939 C ILE A 70 1.520 18.787 4.555 1.00 0.00 C ATOM 940 O ILE A 70 0.877 18.947 5.592 1.00 0.00 O ATOM 941 CB ILE A 70 2.370 21.047 3.925 1.00 0.00 C ATOM 942 CG1 ILE A 70 2.490 22.081 2.801 1.00 0.00 C ATOM 943 CG2 ILE A 70 3.747 20.579 4.370 1.00 0.00 C ATOM 944 CD1 ILE A 70 3.173 23.362 3.221 1.00 0.00 C ATOM 0 H ILE A 70 -0.380 20.615 3.918 1.00 0.00 H new ATOM 0 HA ILE A 70 1.954 19.434 2.556 1.00 0.00 H new ATOM 0 HB ILE A 70 1.876 21.518 4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.043 21.640 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.493 22.317 2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.336 21.437 4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.643 19.878 5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.250 20.086 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.221 24.044 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.609 23.827 4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.183 23.140 3.565 1.00 0.00 H new ATOM 956 N TYR A 71 2.246 17.701 4.314 1.00 0.00 N ATOM 957 CA TYR A 71 2.267 16.572 5.237 1.00 0.00 C ATOM 958 C TYR A 71 3.676 16.308 5.753 1.00 0.00 C ATOM 959 O TYR A 71 4.659 16.558 5.056 1.00 0.00 O ATOM 960 CB TYR A 71 1.712 15.317 4.561 1.00 0.00 C ATOM 961 CG TYR A 71 0.238 15.399 4.232 1.00 0.00 C ATOM 962 CD1 TYR A 71 -0.199 15.980 3.051 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.714 14.892 5.105 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.544 16.057 2.746 1.00 0.00 C ATOM 965 CE2 TYR A 71 -2.062 14.963 4.811 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.473 15.546 3.630 1.00 0.00 C ATOM 967 OH TYR A 71 -3.815 15.620 3.332 1.00 0.00 O ATOM 0 H TYR A 71 2.829 17.578 3.486 1.00 0.00 H new ATOM 0 HA TYR A 71 1.634 16.826 6.088 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.270 15.134 3.642 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.882 14.460 5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.526 16.380 2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.396 14.434 6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.867 16.514 1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.790 14.564 5.502 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.222 14.734 3.434 1.00 0.00 H new ATOM 977 N PHE A 72 3.767 15.803 6.979 1.00 0.00 N ATOM 978 CA PHE A 72 5.051 15.439 7.564 1.00 0.00 C ATOM 979 C PHE A 72 4.883 14.383 8.649 1.00 0.00 C ATOM 980 O PHE A 72 3.805 14.239 9.226 1.00 0.00 O ATOM 981 CB PHE A 72 5.747 16.676 8.135 1.00 0.00 C ATOM 982 CG PHE A 72 4.962 17.368 9.212 1.00 0.00 C ATOM 983 CD1 PHE A 72 3.987 18.300 8.890 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.196 17.090 10.551 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.265 18.940 9.879 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.474 17.726 11.543 1.00 0.00 C ATOM 987 CZ PHE A 72 3.509 18.651 11.207 1.00 0.00 C ATOM 0 H PHE A 72 2.965 15.637 7.587 1.00 0.00 H new ATOM 0 HA PHE A 72 5.671 15.017 6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.717 16.383 8.536 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.936 17.381 7.326 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.790 18.528 7.853 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.952 16.368 10.821 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.510 19.666 9.614 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.666 17.498 12.581 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.944 19.149 11.981 1.00 0.00 H new ATOM 997 N ALA A 73 5.956 13.647 8.923 1.00 0.00 N ATOM 998 CA ALA A 73 5.898 12.526 9.853 1.00 0.00 C ATOM 999 C ALA A 73 5.545 12.995 11.259 1.00 0.00 C ATOM 1000 O ALA A 73 6.015 14.038 11.712 1.00 0.00 O ATOM 1001 CB ALA A 73 7.220 11.773 9.858 1.00 0.00 C ATOM 0 H ALA A 73 6.876 13.808 8.514 1.00 0.00 H new ATOM 0 HA ALA A 73 5.111 11.850 9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.161 10.939 10.557 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.426 11.394 8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.021 12.446 10.163 1.00 0.00 H new