USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 493 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 152:sc= -0.374 (180deg=-1.7!) USER MOD Single : A 24 LYS NZ :NH3+ -141:sc=-0.00314 (180deg=-0.0413) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -164:sc= -0.699 (180deg=-1.34) USER MOD Single : A 35 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.02) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.77 X(o=-2.8,f=-2.3) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 46 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.24) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.69 K(o=-0.69,f=-1.4!) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.195 F(o=-1.4,f=-0.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -23:sc= 0.719 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -1.196 -6.234 -17.676 1.00 0.00 N ATOM 67 CA ARG A 8 -2.503 -6.829 -17.426 1.00 0.00 C ATOM 68 C ARG A 8 -3.256 -7.057 -18.733 1.00 0.00 C ATOM 69 O ARG A 8 -3.217 -6.222 -19.636 1.00 0.00 O ATOM 70 CB ARG A 8 -3.327 -5.931 -16.501 1.00 0.00 C ATOM 71 CG ARG A 8 -2.714 -5.752 -15.121 1.00 0.00 C ATOM 72 CD ARG A 8 -1.784 -4.550 -15.077 1.00 0.00 C ATOM 73 NE ARG A 8 -0.950 -4.548 -13.877 1.00 0.00 N ATOM 74 CZ ARG A 8 -1.347 -4.056 -12.708 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.557 -3.531 -12.582 1.00 0.00 N ATOM 76 NH2 ARG A 8 -0.531 -4.090 -11.662 1.00 0.00 N ATOM 0 HA ARG A 8 -2.348 -7.794 -16.943 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.443 -4.953 -16.967 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.326 -6.354 -16.394 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.506 -5.628 -14.383 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.162 -6.651 -14.847 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.147 -4.552 -15.961 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.374 -3.634 -15.111 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.013 -4.946 -13.940 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.187 -3.504 -13.384 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.858 -3.154 -11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.401 -4.494 -11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.836 -3.712 -10.765 1.00 0.00 H new ATOM 90 N GLU A 9 -3.938 -8.194 -18.827 1.00 0.00 N ATOM 91 CA GLU A 9 -4.698 -8.532 -20.025 1.00 0.00 C ATOM 92 C GLU A 9 -6.158 -8.814 -19.681 1.00 0.00 C ATOM 93 O GLU A 9 -6.471 -9.267 -18.581 1.00 0.00 O ATOM 94 CB GLU A 9 -4.082 -9.748 -20.720 1.00 0.00 C ATOM 95 CG GLU A 9 -2.707 -9.480 -21.309 1.00 0.00 C ATOM 96 CD GLU A 9 -2.756 -8.550 -22.506 1.00 0.00 C ATOM 97 OE1 GLU A 9 -3.529 -8.831 -23.445 1.00 0.00 O ATOM 98 OE2 GLU A 9 -2.020 -7.541 -22.503 1.00 0.00 O ATOM 0 H GLU A 9 -3.980 -8.896 -18.089 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.660 -7.678 -20.702 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.008 -10.567 -20.004 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.750 -10.079 -21.515 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.066 -9.045 -20.542 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.253 -10.425 -21.606 1.00 0.00 H new ATOM 105 N MET A 10 -7.046 -8.542 -20.632 1.00 0.00 N ATOM 106 CA MET A 10 -8.473 -8.768 -20.431 1.00 0.00 C ATOM 107 C MET A 10 -8.990 -9.852 -21.370 1.00 0.00 C ATOM 108 O MET A 10 -8.397 -10.116 -22.416 1.00 0.00 O ATOM 109 CB MET A 10 -9.252 -7.470 -20.653 1.00 0.00 C ATOM 110 CG MET A 10 -8.671 -6.277 -19.912 1.00 0.00 C ATOM 111 SD MET A 10 -7.491 -5.347 -20.909 1.00 0.00 S ATOM 112 CE MET A 10 -8.191 -3.701 -20.813 1.00 0.00 C ATOM 0 H MET A 10 -6.803 -8.165 -21.548 1.00 0.00 H new ATOM 0 HA MET A 10 -8.622 -9.102 -19.404 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.275 -7.248 -21.720 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.284 -7.617 -20.335 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.481 -5.616 -19.604 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.179 -6.623 -19.003 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.571 -3.008 -21.383 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.200 -3.710 -21.226 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.229 -3.382 -19.771 1.00 0.00 H new ATOM 122 N GLY A 11 -10.099 -10.479 -20.990 1.00 0.00 N ATOM 123 CA GLY A 11 -10.676 -11.529 -21.810 1.00 0.00 C ATOM 124 C GLY A 11 -12.120 -11.818 -21.450 1.00 0.00 C ATOM 125 O GLY A 11 -12.706 -11.136 -20.609 1.00 0.00 O ATOM 0 H GLY A 11 -10.608 -10.279 -20.129 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.617 -11.240 -22.859 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.087 -12.439 -21.697 1.00 0.00 H new ATOM 129 N VAL A 12 -12.696 -12.830 -22.089 1.00 0.00 N ATOM 130 CA VAL A 12 -14.081 -13.208 -21.832 1.00 0.00 C ATOM 131 C VAL A 12 -14.180 -14.659 -21.376 1.00 0.00 C ATOM 132 O VAL A 12 -13.653 -15.562 -22.027 1.00 0.00 O ATOM 133 CB VAL A 12 -14.957 -13.014 -23.085 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.242 -11.537 -23.314 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.288 -13.632 -24.303 1.00 0.00 C ATOM 0 H VAL A 12 -12.225 -13.404 -22.789 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.445 -12.556 -21.038 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.908 -13.522 -22.925 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.862 -11.420 -24.203 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.766 -11.129 -22.450 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.302 -11.003 -23.454 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.920 -13.486 -25.179 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.322 -13.155 -24.469 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.141 -14.699 -24.135 1.00 0.00 H new ATOM 145 N ILE A 13 -14.859 -14.876 -20.255 1.00 0.00 N ATOM 146 CA ILE A 13 -15.028 -16.218 -19.713 1.00 0.00 C ATOM 147 C ILE A 13 -15.779 -17.116 -20.691 1.00 0.00 C ATOM 148 O ILE A 13 -16.999 -17.259 -20.606 1.00 0.00 O ATOM 149 CB ILE A 13 -15.784 -16.193 -18.372 1.00 0.00 C ATOM 150 CG1 ILE A 13 -15.020 -15.353 -17.346 1.00 0.00 C ATOM 151 CG2 ILE A 13 -15.995 -17.608 -17.855 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.520 -15.535 -17.415 1.00 0.00 C ATOM 0 H ILE A 13 -15.301 -14.140 -19.705 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.028 -16.620 -19.549 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.761 -15.737 -18.532 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -15.258 -14.301 -17.500 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.364 -15.614 -16.345 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.531 -17.573 -16.906 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.577 -18.177 -18.580 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -15.028 -18.090 -17.708 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.043 -14.910 -16.660 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.271 -16.580 -17.231 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.164 -15.246 -18.404 1.00 0.00 H new ATOM 164 N ALA A 14 -15.043 -17.719 -21.618 1.00 0.00 N ATOM 165 CA ALA A 14 -15.639 -18.605 -22.609 1.00 0.00 C ATOM 166 C ALA A 14 -16.248 -19.837 -21.949 1.00 0.00 C ATOM 167 O ALA A 14 -17.078 -20.525 -22.542 1.00 0.00 O ATOM 168 CB ALA A 14 -14.600 -19.017 -23.642 1.00 0.00 C ATOM 0 H ALA A 14 -14.032 -17.610 -21.703 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.439 -18.061 -23.111 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.059 -19.679 -24.376 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.215 -18.130 -24.144 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.781 -19.538 -23.146 1.00 0.00 H new ATOM 174 N ALA A 15 -15.829 -20.111 -20.717 1.00 0.00 N ATOM 175 CA ALA A 15 -16.334 -21.260 -19.976 1.00 0.00 C ATOM 176 C ALA A 15 -15.949 -21.175 -18.503 1.00 0.00 C ATOM 177 O ALA A 15 -14.910 -20.616 -18.155 1.00 0.00 O ATOM 178 CB ALA A 15 -15.814 -22.552 -20.586 1.00 0.00 C ATOM 0 H ALA A 15 -15.141 -19.553 -20.212 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.422 -21.253 -20.041 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.199 -23.402 -20.022 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.145 -22.624 -21.622 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.725 -22.558 -20.552 1.00 0.00 H new ATOM 184 N MET A 16 -16.794 -21.733 -17.642 1.00 0.00 N ATOM 185 CA MET A 16 -16.541 -21.721 -16.206 1.00 0.00 C ATOM 186 C MET A 16 -17.155 -22.945 -15.535 1.00 0.00 C ATOM 187 O MET A 16 -17.978 -22.820 -14.628 1.00 0.00 O ATOM 188 CB MET A 16 -17.104 -20.444 -15.579 1.00 0.00 C ATOM 189 CG MET A 16 -18.591 -20.250 -15.826 1.00 0.00 C ATOM 190 SD MET A 16 -19.536 -20.104 -14.298 1.00 0.00 S ATOM 191 CE MET A 16 -18.578 -18.869 -13.423 1.00 0.00 C ATOM 0 H MET A 16 -17.660 -22.199 -17.914 1.00 0.00 H new ATOM 0 HA MET A 16 -15.462 -21.748 -16.052 1.00 0.00 H new ATOM 0 HB2 MET A 16 -16.922 -20.466 -14.504 1.00 0.00 H new ATOM 0 HB3 MET A 16 -16.563 -19.585 -15.976 1.00 0.00 H new ATOM 0 HG2 MET A 16 -18.741 -19.354 -16.428 1.00 0.00 H new ATOM 0 HG3 MET A 16 -18.972 -21.091 -16.405 1.00 0.00 H new ATOM 0 HE1 MET A 16 -19.229 -18.316 -12.746 1.00 0.00 H new ATOM 0 HE2 MET A 16 -17.791 -19.358 -12.850 1.00 0.00 H new ATOM 0 HE3 MET A 16 -18.130 -18.181 -14.140 1.00 0.00 H new ATOM 201 N ARG A 17 -16.750 -24.128 -15.987 1.00 0.00 N ATOM 202 CA ARG A 17 -17.262 -25.374 -15.430 1.00 0.00 C ATOM 203 C ARG A 17 -17.054 -25.421 -13.920 1.00 0.00 C ATOM 204 O ARG A 17 -16.350 -24.585 -13.353 1.00 0.00 O ATOM 205 CB ARG A 17 -16.574 -26.572 -16.088 1.00 0.00 C ATOM 206 CG ARG A 17 -16.756 -26.625 -17.597 1.00 0.00 C ATOM 207 CD ARG A 17 -18.191 -26.958 -17.974 1.00 0.00 C ATOM 208 NE ARG A 17 -19.073 -25.801 -17.846 1.00 0.00 N ATOM 209 CZ ARG A 17 -18.971 -24.712 -18.600 1.00 0.00 C ATOM 210 NH1 ARG A 17 -18.032 -24.633 -19.532 1.00 0.00 N ATOM 211 NH2 ARG A 17 -19.811 -23.700 -18.424 1.00 0.00 N ATOM 0 H ARG A 17 -16.069 -24.249 -16.737 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.332 -25.421 -15.633 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.509 -26.539 -15.860 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.965 -27.491 -15.651 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.478 -25.665 -18.032 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.085 -27.373 -18.019 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.220 -27.325 -19.000 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.555 -27.764 -17.337 1.00 0.00 H new ATOM 0 HE ARG A 17 -19.808 -25.831 -17.139 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.386 -25.409 -19.672 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.956 -23.796 -20.110 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.536 -23.758 -17.709 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.731 -22.864 -19.004 1.00 0.00 H new ATOM 225 N ASP A 18 -17.671 -26.404 -13.273 1.00 0.00 N ATOM 226 CA ASP A 18 -17.553 -26.561 -11.828 1.00 0.00 C ATOM 227 C ASP A 18 -16.165 -27.067 -11.448 1.00 0.00 C ATOM 228 O ASP A 18 -15.932 -28.273 -11.373 1.00 0.00 O ATOM 229 CB ASP A 18 -18.621 -27.526 -11.310 1.00 0.00 C ATOM 230 CG ASP A 18 -19.166 -27.113 -9.957 1.00 0.00 C ATOM 231 OD1 ASP A 18 -19.868 -26.082 -9.889 1.00 0.00 O ATOM 232 OD2 ASP A 18 -18.892 -27.821 -8.966 1.00 0.00 O ATOM 0 H ASP A 18 -18.258 -27.104 -13.727 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.702 -25.584 -11.367 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -19.439 -27.577 -12.028 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -18.197 -28.528 -11.238 1.00 0.00 H new ATOM 237 N GLY A 19 -15.246 -26.136 -11.210 1.00 0.00 N ATOM 238 CA GLY A 19 -13.892 -26.508 -10.841 1.00 0.00 C ATOM 239 C GLY A 19 -12.847 -25.724 -11.609 1.00 0.00 C ATOM 240 O GLY A 19 -11.799 -25.374 -11.066 1.00 0.00 O ATOM 0 H GLY A 19 -15.415 -25.132 -11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.752 -26.345 -9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.749 -27.573 -11.022 1.00 0.00 H new ATOM 244 N PHE A 20 -13.130 -25.447 -12.878 1.00 0.00 N ATOM 245 CA PHE A 20 -12.205 -24.701 -13.723 1.00 0.00 C ATOM 246 C PHE A 20 -12.953 -23.962 -14.828 1.00 0.00 C ATOM 247 O PHE A 20 -14.181 -24.004 -14.898 1.00 0.00 O ATOM 248 CB PHE A 20 -11.168 -25.644 -14.336 1.00 0.00 C ATOM 249 CG PHE A 20 -11.699 -26.455 -15.484 1.00 0.00 C ATOM 250 CD1 PHE A 20 -12.619 -27.468 -15.267 1.00 0.00 C ATOM 251 CD2 PHE A 20 -11.277 -26.204 -16.780 1.00 0.00 C ATOM 252 CE1 PHE A 20 -13.110 -28.215 -16.321 1.00 0.00 C ATOM 253 CE2 PHE A 20 -11.765 -26.948 -17.837 1.00 0.00 C ATOM 254 CZ PHE A 20 -12.681 -27.955 -17.608 1.00 0.00 C ATOM 0 H PHE A 20 -13.993 -25.728 -13.344 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.695 -23.966 -13.100 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.315 -25.059 -14.679 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.801 -26.320 -13.563 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.956 -27.676 -14.262 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.559 -25.419 -16.966 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.828 -29.001 -16.139 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -11.430 -26.742 -18.843 1.00 0.00 H new ATOM 0 HZ PHE A 20 -13.061 -28.538 -18.433 1.00 0.00 H new ATOM 264 N GLY A 21 -12.203 -23.285 -15.692 1.00 0.00 N ATOM 265 CA GLY A 21 -12.811 -22.545 -16.782 1.00 0.00 C ATOM 266 C GLY A 21 -11.794 -22.075 -17.803 1.00 0.00 C ATOM 267 O GLY A 21 -10.630 -22.473 -17.759 1.00 0.00 O ATOM 0 H GLY A 21 -11.185 -23.236 -15.656 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.552 -23.174 -17.275 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.342 -21.683 -16.380 1.00 0.00 H new ATOM 271 N PHE A 22 -12.233 -21.225 -18.725 1.00 0.00 N ATOM 272 CA PHE A 22 -11.352 -20.702 -19.763 1.00 0.00 C ATOM 273 C PHE A 22 -11.627 -19.222 -20.015 1.00 0.00 C ATOM 274 O PHE A 22 -12.703 -18.716 -19.693 1.00 0.00 O ATOM 275 CB PHE A 22 -11.531 -21.493 -21.061 1.00 0.00 C ATOM 276 CG PHE A 22 -10.954 -22.878 -21.002 1.00 0.00 C ATOM 277 CD1 PHE A 22 -9.630 -23.077 -20.645 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.735 -23.982 -21.305 1.00 0.00 C ATOM 279 CE1 PHE A 22 -9.096 -24.351 -20.591 1.00 0.00 C ATOM 280 CE2 PHE A 22 -11.207 -25.258 -21.252 1.00 0.00 C ATOM 281 CZ PHE A 22 -9.886 -25.443 -20.894 1.00 0.00 C ATOM 0 H PHE A 22 -13.193 -20.884 -18.775 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.323 -20.810 -19.419 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.594 -21.560 -21.293 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.061 -20.946 -21.878 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.008 -22.227 -20.406 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.769 -23.843 -21.586 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.062 -24.492 -20.312 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.827 -26.110 -21.490 1.00 0.00 H new ATOM 0 HZ PHE A 22 -9.471 -26.439 -20.851 1.00 0.00 H new ATOM 291 N ILE A 23 -10.648 -18.534 -20.592 1.00 0.00 N ATOM 292 CA ILE A 23 -10.784 -17.113 -20.887 1.00 0.00 C ATOM 293 C ILE A 23 -10.157 -16.769 -22.234 1.00 0.00 C ATOM 294 O ILE A 23 -8.934 -16.749 -22.375 1.00 0.00 O ATOM 295 CB ILE A 23 -10.132 -16.246 -19.793 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.424 -16.828 -18.409 1.00 0.00 C ATOM 297 CG2 ILE A 23 -10.632 -14.812 -19.886 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.576 -16.227 -17.310 1.00 0.00 C ATOM 0 H ILE A 23 -9.752 -18.938 -20.865 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.852 -16.898 -20.921 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.053 -16.245 -19.946 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.476 -16.671 -18.172 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.261 -17.905 -18.435 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.162 -14.212 -19.107 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.378 -14.401 -20.863 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.714 -14.795 -19.755 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.837 -16.687 -16.357 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.522 -16.407 -17.524 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.757 -15.153 -17.257 1.00 0.00 H new ATOM 310 N LYS A 24 -11.003 -16.496 -23.221 1.00 0.00 N ATOM 311 CA LYS A 24 -10.534 -16.149 -24.557 1.00 0.00 C ATOM 312 C LYS A 24 -10.091 -14.690 -24.616 1.00 0.00 C ATOM 313 O LYS A 24 -10.879 -13.781 -24.351 1.00 0.00 O ATOM 314 CB LYS A 24 -11.636 -16.400 -25.589 1.00 0.00 C ATOM 315 CG LYS A 24 -11.227 -16.061 -27.011 1.00 0.00 C ATOM 316 CD LYS A 24 -12.374 -16.269 -27.986 1.00 0.00 C ATOM 317 CE LYS A 24 -12.506 -15.098 -28.948 1.00 0.00 C ATOM 318 NZ LYS A 24 -11.684 -15.293 -30.175 1.00 0.00 N ATOM 0 H LYS A 24 -12.018 -16.508 -23.121 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.677 -16.781 -24.789 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.931 -17.448 -25.545 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.513 -15.811 -25.322 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.893 -15.025 -27.057 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.381 -16.682 -27.305 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.212 -17.188 -28.549 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.305 -16.394 -27.433 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.552 -14.974 -29.228 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.199 -14.180 -28.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.256 -14.387 -30.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.933 -15.987 -29.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.289 -15.642 -30.946 1.00 0.00 H new ATOM 332 N CYS A 25 -8.829 -14.474 -24.967 1.00 0.00 N ATOM 333 CA CYS A 25 -8.282 -13.125 -25.062 1.00 0.00 C ATOM 334 C CYS A 25 -9.031 -12.307 -26.108 1.00 0.00 C ATOM 335 O CYS A 25 -9.539 -12.849 -27.089 1.00 0.00 O ATOM 336 CB CYS A 25 -6.793 -13.179 -25.410 1.00 0.00 C ATOM 337 SG CYS A 25 -5.698 -12.759 -24.034 1.00 0.00 S ATOM 0 H CYS A 25 -8.165 -15.215 -25.191 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.404 -12.641 -24.093 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.549 -14.182 -25.762 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.599 -12.495 -26.237 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.461 -12.835 -24.425 1.00 0.00 H new ATOM 343 N VAL A 26 -9.099 -10.997 -25.891 1.00 0.00 N ATOM 344 CA VAL A 26 -9.787 -10.103 -26.814 1.00 0.00 C ATOM 345 C VAL A 26 -9.005 -9.946 -28.113 1.00 0.00 C ATOM 346 O VAL A 26 -9.583 -9.923 -29.200 1.00 0.00 O ATOM 347 CB VAL A 26 -10.008 -8.712 -26.190 1.00 0.00 C ATOM 348 CG1 VAL A 26 -10.978 -8.799 -25.022 1.00 0.00 C ATOM 349 CG2 VAL A 26 -8.682 -8.111 -25.748 1.00 0.00 C ATOM 0 H VAL A 26 -8.685 -10.531 -25.083 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.756 -10.555 -27.028 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.444 -8.059 -26.946 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.122 -7.807 -24.594 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.935 -9.185 -25.372 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.573 -9.467 -24.262 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.856 -7.128 -25.309 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.216 -8.762 -25.008 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.022 -8.012 -26.610 1.00 0.00 H new ATOM 359 N ASP A 27 -7.686 -9.839 -27.994 1.00 0.00 N ATOM 360 CA ASP A 27 -6.823 -9.686 -29.159 1.00 0.00 C ATOM 361 C ASP A 27 -6.469 -11.045 -29.756 1.00 0.00 C ATOM 362 O ASP A 27 -6.512 -11.230 -30.972 1.00 0.00 O ATOM 363 CB ASP A 27 -5.546 -8.933 -28.780 1.00 0.00 C ATOM 364 CG ASP A 27 -4.559 -8.851 -29.927 1.00 0.00 C ATOM 365 OD1 ASP A 27 -3.969 -9.895 -30.278 1.00 0.00 O ATOM 366 OD2 ASP A 27 -4.377 -7.744 -30.475 1.00 0.00 O ATOM 0 H ASP A 27 -7.191 -9.855 -27.102 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.366 -9.110 -29.909 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.805 -7.925 -28.455 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.073 -9.430 -27.933 1.00 0.00 H new ATOM 371 N ARG A 28 -6.118 -11.991 -28.891 1.00 0.00 N ATOM 372 CA ARG A 28 -5.754 -13.332 -29.333 1.00 0.00 C ATOM 373 C ARG A 28 -6.952 -14.273 -29.257 1.00 0.00 C ATOM 374 O ARG A 28 -8.007 -13.911 -28.735 1.00 0.00 O ATOM 375 CB ARG A 28 -4.607 -13.879 -28.481 1.00 0.00 C ATOM 376 CG ARG A 28 -3.229 -13.500 -28.998 1.00 0.00 C ATOM 377 CD ARG A 28 -2.442 -14.725 -29.437 1.00 0.00 C ATOM 378 NE ARG A 28 -3.191 -15.545 -30.386 1.00 0.00 N ATOM 379 CZ ARG A 28 -2.687 -16.615 -30.991 1.00 0.00 C ATOM 380 NH1 ARG A 28 -1.439 -16.992 -30.746 1.00 0.00 N ATOM 381 NH2 ARG A 28 -3.431 -17.310 -31.841 1.00 0.00 N ATOM 0 H ARG A 28 -6.078 -11.854 -27.881 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.428 -13.269 -30.371 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.717 -13.512 -27.461 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.684 -14.965 -28.438 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.331 -12.812 -29.837 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.679 -12.973 -28.218 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.504 -14.409 -29.893 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.186 -15.324 -28.563 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.154 -15.282 -30.596 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.865 -16.460 -30.092 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.054 -17.814 -31.211 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.391 -17.023 -32.031 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.043 -18.131 -32.305 1.00 0.00 H new ATOM 395 N ASP A 29 -6.783 -15.482 -29.781 1.00 0.00 N ATOM 396 CA ASP A 29 -7.850 -16.476 -29.772 1.00 0.00 C ATOM 397 C ASP A 29 -7.481 -17.661 -28.885 1.00 0.00 C ATOM 398 O ASP A 29 -7.982 -18.770 -29.073 1.00 0.00 O ATOM 399 CB ASP A 29 -8.139 -16.958 -31.194 1.00 0.00 C ATOM 400 CG ASP A 29 -9.077 -16.030 -31.941 1.00 0.00 C ATOM 401 OD1 ASP A 29 -8.916 -14.798 -31.815 1.00 0.00 O ATOM 402 OD2 ASP A 29 -9.970 -16.536 -32.651 1.00 0.00 O ATOM 0 H ASP A 29 -5.917 -15.797 -30.218 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.747 -16.007 -29.367 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.201 -17.042 -31.744 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.575 -17.956 -31.154 1.00 0.00 H new ATOM 407 N VAL A 30 -6.602 -17.419 -27.918 1.00 0.00 N ATOM 408 CA VAL A 30 -6.166 -18.466 -27.001 1.00 0.00 C ATOM 409 C VAL A 30 -6.919 -18.387 -25.678 1.00 0.00 C ATOM 410 O VAL A 30 -7.412 -17.326 -25.295 1.00 0.00 O ATOM 411 CB VAL A 30 -4.653 -18.376 -26.724 1.00 0.00 C ATOM 412 CG1 VAL A 30 -3.871 -18.379 -28.029 1.00 0.00 C ATOM 413 CG2 VAL A 30 -4.336 -17.134 -25.905 1.00 0.00 C ATOM 0 H VAL A 30 -6.178 -16.507 -27.749 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.384 -19.419 -27.483 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.353 -19.250 -26.147 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.804 -18.315 -27.814 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.077 -19.300 -28.574 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.171 -17.524 -28.635 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.263 -17.085 -25.718 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.649 -16.246 -26.454 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.868 -17.179 -24.955 1.00 0.00 H new ATOM 423 N ARG A 31 -7.004 -19.517 -24.984 1.00 0.00 N ATOM 424 CA ARG A 31 -7.698 -19.576 -23.703 1.00 0.00 C ATOM 425 C ARG A 31 -6.706 -19.543 -22.545 1.00 0.00 C ATOM 426 O ARG A 31 -5.652 -20.176 -22.600 1.00 0.00 O ATOM 427 CB ARG A 31 -8.554 -20.842 -23.620 1.00 0.00 C ATOM 428 CG ARG A 31 -9.327 -21.139 -24.895 1.00 0.00 C ATOM 429 CD ARG A 31 -9.735 -22.602 -24.970 1.00 0.00 C ATOM 430 NE ARG A 31 -9.286 -23.233 -26.208 1.00 0.00 N ATOM 431 CZ ARG A 31 -9.868 -23.036 -27.386 1.00 0.00 C ATOM 432 NH1 ARG A 31 -10.916 -22.230 -27.485 1.00 0.00 N ATOM 433 NH2 ARG A 31 -9.401 -23.646 -28.468 1.00 0.00 N ATOM 0 H ARG A 31 -6.601 -20.404 -25.287 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.346 -18.702 -23.629 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.911 -21.691 -23.389 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.258 -20.741 -22.794 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.216 -20.509 -24.938 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.715 -20.886 -25.761 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.318 -23.139 -24.118 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.820 -22.680 -24.896 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.482 -23.859 -26.166 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.277 -21.759 -26.655 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.361 -22.081 -28.391 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.595 -24.267 -28.396 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.848 -23.494 -29.372 1.00 0.00 H new ATOM 447 N MET A 32 -7.050 -18.801 -21.498 1.00 0.00 N ATOM 448 CA MET A 32 -6.190 -18.686 -20.326 1.00 0.00 C ATOM 449 C MET A 32 -6.777 -19.450 -19.143 1.00 0.00 C ATOM 450 O MET A 32 -7.492 -18.882 -18.318 1.00 0.00 O ATOM 451 CB MET A 32 -5.994 -17.216 -19.952 1.00 0.00 C ATOM 452 CG MET A 32 -5.413 -17.014 -18.562 1.00 0.00 C ATOM 453 SD MET A 32 -4.425 -15.512 -18.433 1.00 0.00 S ATOM 454 CE MET A 32 -2.776 -16.202 -18.311 1.00 0.00 C ATOM 0 H MET A 32 -7.919 -18.270 -21.437 1.00 0.00 H new ATOM 0 HA MET A 32 -5.222 -19.122 -20.573 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.335 -16.748 -20.684 1.00 0.00 H new ATOM 0 HB3 MET A 32 -6.954 -16.703 -20.014 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.225 -16.974 -17.836 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.795 -17.874 -18.302 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.089 -15.439 -17.945 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.784 -17.045 -17.620 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.450 -16.542 -19.294 1.00 0.00 H new ATOM 464 N PHE A 33 -6.471 -20.741 -19.068 1.00 0.00 N ATOM 465 CA PHE A 33 -6.970 -21.583 -17.987 1.00 0.00 C ATOM 466 C PHE A 33 -6.752 -20.915 -16.632 1.00 0.00 C ATOM 467 O PHE A 33 -5.659 -20.434 -16.333 1.00 0.00 O ATOM 468 CB PHE A 33 -6.277 -22.947 -18.013 1.00 0.00 C ATOM 469 CG PHE A 33 -6.441 -23.727 -16.739 1.00 0.00 C ATOM 470 CD1 PHE A 33 -7.548 -24.537 -16.545 1.00 0.00 C ATOM 471 CD2 PHE A 33 -5.487 -23.651 -15.737 1.00 0.00 C ATOM 472 CE1 PHE A 33 -7.702 -25.255 -15.374 1.00 0.00 C ATOM 473 CE2 PHE A 33 -5.635 -24.367 -14.564 1.00 0.00 C ATOM 474 CZ PHE A 33 -6.743 -25.171 -14.383 1.00 0.00 C ATOM 0 H PHE A 33 -5.880 -21.227 -19.743 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.041 -21.724 -18.135 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.675 -23.532 -18.842 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.214 -22.802 -18.207 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.299 -24.608 -17.318 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.618 -23.025 -15.874 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.571 -25.881 -15.234 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.885 -24.298 -13.790 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.860 -25.733 -13.468 1.00 0.00 H new ATOM 484 N PHE A 34 -7.801 -20.889 -15.817 1.00 0.00 N ATOM 485 CA PHE A 34 -7.726 -20.278 -14.494 1.00 0.00 C ATOM 486 C PHE A 34 -8.401 -21.161 -13.449 1.00 0.00 C ATOM 487 O PHE A 34 -9.155 -22.075 -13.785 1.00 0.00 O ATOM 488 CB PHE A 34 -8.379 -18.895 -14.510 1.00 0.00 C ATOM 489 CG PHE A 34 -9.869 -18.938 -14.697 1.00 0.00 C ATOM 490 CD1 PHE A 34 -10.419 -19.024 -15.966 1.00 0.00 C ATOM 491 CD2 PHE A 34 -10.719 -18.892 -13.604 1.00 0.00 C ATOM 492 CE1 PHE A 34 -11.790 -19.063 -16.140 1.00 0.00 C ATOM 493 CE2 PHE A 34 -12.091 -18.932 -13.772 1.00 0.00 C ATOM 494 CZ PHE A 34 -12.626 -19.018 -15.042 1.00 0.00 C ATOM 0 H PHE A 34 -8.713 -21.283 -16.049 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.674 -20.171 -14.229 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.153 -18.384 -13.574 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.937 -18.303 -15.311 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.770 -19.061 -16.828 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.305 -18.824 -12.609 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.207 -19.129 -17.134 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.743 -18.896 -12.912 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.697 -19.050 -15.176 1.00 0.00 H new ATOM 504 N HIS A 35 -8.126 -20.880 -12.179 1.00 0.00 N ATOM 505 CA HIS A 35 -8.707 -21.648 -11.083 1.00 0.00 C ATOM 506 C HIS A 35 -9.730 -20.814 -10.318 1.00 0.00 C ATOM 507 O HIS A 35 -9.669 -19.584 -10.319 1.00 0.00 O ATOM 508 CB HIS A 35 -7.611 -22.130 -10.133 1.00 0.00 C ATOM 509 CG HIS A 35 -7.200 -23.551 -10.363 1.00 0.00 C ATOM 510 ND1 HIS A 35 -5.886 -23.969 -10.336 1.00 0.00 N ATOM 511 CD2 HIS A 35 -7.939 -24.655 -10.625 1.00 0.00 C ATOM 512 CE1 HIS A 35 -5.835 -25.268 -10.573 1.00 0.00 C ATOM 513 NE2 HIS A 35 -7.067 -25.708 -10.751 1.00 0.00 N ATOM 0 H HIS A 35 -7.505 -20.127 -11.884 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.215 -22.514 -11.508 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.738 -21.486 -10.242 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.960 -22.023 -9.106 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.014 -24.699 -10.718 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.938 -25.868 -10.614 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.329 -26.674 -10.950 1.00 0.00 H new ATOM 521 N PHE A 36 -10.669 -21.490 -9.665 1.00 0.00 N ATOM 522 CA PHE A 36 -11.706 -20.812 -8.897 1.00 0.00 C ATOM 523 C PHE A 36 -11.183 -20.395 -7.526 1.00 0.00 C ATOM 524 O PHE A 36 -11.868 -20.547 -6.515 1.00 0.00 O ATOM 525 CB PHE A 36 -12.927 -21.720 -8.735 1.00 0.00 C ATOM 526 CG PHE A 36 -13.893 -21.637 -9.882 1.00 0.00 C ATOM 527 CD1 PHE A 36 -13.651 -22.326 -11.060 1.00 0.00 C ATOM 528 CD2 PHE A 36 -15.042 -20.869 -9.784 1.00 0.00 C ATOM 529 CE1 PHE A 36 -14.538 -22.253 -12.117 1.00 0.00 C ATOM 530 CE2 PHE A 36 -15.932 -20.792 -10.838 1.00 0.00 C ATOM 531 CZ PHE A 36 -15.679 -21.484 -12.007 1.00 0.00 C ATOM 0 H PHE A 36 -10.733 -22.508 -9.652 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.999 -19.915 -9.443 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.591 -22.751 -8.628 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.446 -21.456 -7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.759 -22.927 -11.153 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -15.244 -20.324 -8.874 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -14.339 -22.797 -13.028 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -16.825 -20.191 -10.748 1.00 0.00 H new ATOM 0 HZ PHE A 36 -16.372 -21.423 -12.833 1.00 0.00 H new ATOM 541 N SER A 37 -9.963 -19.867 -7.500 1.00 0.00 N ATOM 542 CA SER A 37 -9.344 -19.432 -6.254 1.00 0.00 C ATOM 543 C SER A 37 -8.906 -17.974 -6.345 1.00 0.00 C ATOM 544 O SER A 37 -8.782 -17.287 -5.331 1.00 0.00 O ATOM 545 CB SER A 37 -8.142 -20.318 -5.920 1.00 0.00 C ATOM 546 OG SER A 37 -8.434 -21.187 -4.839 1.00 0.00 O ATOM 0 H SER A 37 -9.384 -19.730 -8.328 1.00 0.00 H new ATOM 0 HA SER A 37 -10.084 -19.522 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.863 -20.903 -6.796 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.285 -19.694 -5.668 1.00 0.00 H new ATOM 0 HG SER A 37 -7.651 -21.744 -4.646 1.00 0.00 H new ATOM 552 N GLU A 38 -8.672 -17.508 -7.568 1.00 0.00 N ATOM 553 CA GLU A 38 -8.246 -16.132 -7.793 1.00 0.00 C ATOM 554 C GLU A 38 -9.449 -15.196 -7.868 1.00 0.00 C ATOM 555 O GLU A 38 -9.300 -13.973 -7.851 1.00 0.00 O ATOM 556 CB GLU A 38 -7.426 -16.031 -9.080 1.00 0.00 C ATOM 557 CG GLU A 38 -6.247 -16.989 -9.128 1.00 0.00 C ATOM 558 CD GLU A 38 -5.630 -17.222 -7.762 1.00 0.00 C ATOM 559 OE1 GLU A 38 -4.731 -16.447 -7.376 1.00 0.00 O ATOM 560 OE2 GLU A 38 -6.048 -18.181 -7.079 1.00 0.00 O ATOM 0 H GLU A 38 -8.770 -18.063 -8.418 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.623 -15.830 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.077 -16.227 -9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.059 -15.010 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.575 -17.942 -9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.488 -16.592 -9.803 1.00 0.00 H new ATOM 567 N ILE A 39 -10.640 -15.778 -7.953 1.00 0.00 N ATOM 568 CA ILE A 39 -11.868 -14.997 -8.032 1.00 0.00 C ATOM 569 C ILE A 39 -12.183 -14.332 -6.696 1.00 0.00 C ATOM 570 O ILE A 39 -13.187 -13.632 -6.559 1.00 0.00 O ATOM 571 CB ILE A 39 -13.065 -15.871 -8.452 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.763 -16.588 -9.769 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.321 -15.022 -8.580 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.732 -17.707 -10.083 1.00 0.00 C ATOM 0 H ILE A 39 -10.781 -16.788 -7.969 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.706 -14.229 -8.789 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.236 -16.623 -7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.783 -15.862 -10.582 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.752 -16.994 -9.729 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.158 -15.653 -8.877 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.543 -14.553 -7.621 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -14.163 -14.250 -9.333 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.458 -18.171 -11.030 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.695 -18.453 -9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.742 -17.304 -10.155 1.00 0.00 H new ATOM 586 N LEU A 40 -11.317 -14.554 -5.713 1.00 0.00 N ATOM 587 CA LEU A 40 -11.501 -13.975 -4.386 1.00 0.00 C ATOM 588 C LEU A 40 -11.698 -12.465 -4.475 1.00 0.00 C ATOM 589 O LEU A 40 -12.284 -11.852 -3.581 1.00 0.00 O ATOM 590 CB LEU A 40 -10.296 -14.292 -3.499 1.00 0.00 C ATOM 591 CG LEU A 40 -8.923 -13.982 -4.095 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.700 -12.480 -4.170 1.00 0.00 C ATOM 593 CD2 LEU A 40 -7.824 -14.645 -3.277 1.00 0.00 C ATOM 0 H LEU A 40 -10.481 -15.130 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.395 -14.415 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.399 -13.735 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.328 -15.351 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.889 -14.385 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.717 -12.279 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.468 -12.029 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.755 -12.054 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.854 -14.413 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.857 -14.272 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.973 -15.725 -3.275 1.00 0.00 H new ATOM 605 N ASP A 41 -11.208 -11.871 -5.557 1.00 0.00 N ATOM 606 CA ASP A 41 -11.334 -10.433 -5.764 1.00 0.00 C ATOM 607 C ASP A 41 -12.743 -9.957 -5.427 1.00 0.00 C ATOM 608 O ASP A 41 -12.927 -8.874 -4.872 1.00 0.00 O ATOM 609 CB ASP A 41 -10.993 -10.073 -7.211 1.00 0.00 C ATOM 610 CG ASP A 41 -10.325 -8.717 -7.328 1.00 0.00 C ATOM 611 OD1 ASP A 41 -10.863 -7.740 -6.765 1.00 0.00 O ATOM 612 OD2 ASP A 41 -9.264 -8.633 -7.981 1.00 0.00 O ATOM 0 H ASP A 41 -10.719 -12.363 -6.305 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.632 -9.932 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.335 -10.836 -7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.905 -10.078 -7.808 1.00 0.00 H new ATOM 617 N GLY A 42 -13.736 -10.773 -5.768 1.00 0.00 N ATOM 618 CA GLY A 42 -15.116 -10.417 -5.495 1.00 0.00 C ATOM 619 C GLY A 42 -15.893 -10.098 -6.757 1.00 0.00 C ATOM 620 O GLY A 42 -15.933 -8.950 -7.195 1.00 0.00 O ATOM 0 H GLY A 42 -13.609 -11.674 -6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.603 -11.239 -4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.141 -9.554 -4.829 1.00 0.00 H new ATOM 624 N ASN A 43 -16.511 -11.118 -7.343 1.00 0.00 N ATOM 625 CA ASN A 43 -17.289 -10.941 -8.564 1.00 0.00 C ATOM 626 C ASN A 43 -17.706 -12.290 -9.143 1.00 0.00 C ATOM 627 O ASN A 43 -16.865 -13.076 -9.577 1.00 0.00 O ATOM 628 CB ASN A 43 -16.481 -10.156 -9.599 1.00 0.00 C ATOM 629 CG ASN A 43 -16.945 -8.718 -9.725 1.00 0.00 C ATOM 630 OD1 ASN A 43 -18.113 -8.454 -10.010 1.00 0.00 O ATOM 631 ND2 ASN A 43 -16.029 -7.780 -9.513 1.00 0.00 N ATOM 0 H ASN A 43 -16.488 -12.076 -6.992 1.00 0.00 H new ATOM 0 HA ASN A 43 -18.189 -10.379 -8.314 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.427 -10.172 -9.321 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.563 -10.648 -10.568 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -16.282 -6.795 -9.584 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -15.072 -8.045 -9.279 1.00 0.00 H new ATOM 638 N GLN A 44 -19.010 -12.548 -9.147 1.00 0.00 N ATOM 639 CA GLN A 44 -19.538 -13.801 -9.674 1.00 0.00 C ATOM 640 C GLN A 44 -19.393 -13.859 -11.191 1.00 0.00 C ATOM 641 O GLN A 44 -20.261 -13.388 -11.927 1.00 0.00 O ATOM 642 CB GLN A 44 -21.008 -13.963 -9.284 1.00 0.00 C ATOM 643 CG GLN A 44 -21.213 -14.738 -7.992 1.00 0.00 C ATOM 644 CD GLN A 44 -22.678 -14.942 -7.660 1.00 0.00 C ATOM 645 OE1 GLN A 44 -23.523 -15.025 -8.552 1.00 0.00 O ATOM 646 NE2 GLN A 44 -22.987 -15.024 -6.371 1.00 0.00 N ATOM 0 H GLN A 44 -19.719 -11.907 -8.792 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.962 -14.619 -9.241 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.459 -12.976 -9.181 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.535 -14.472 -10.091 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.724 -15.709 -8.074 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.729 -14.206 -7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.254 -14.950 -5.665 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.957 -15.161 -6.087 1.00 0.00 H new ATOM 655 N LEU A 45 -18.290 -14.438 -11.653 1.00 0.00 N ATOM 656 CA LEU A 45 -18.030 -14.556 -13.084 1.00 0.00 C ATOM 657 C LEU A 45 -19.187 -15.255 -13.791 1.00 0.00 C ATOM 658 O LEU A 45 -19.990 -15.943 -13.160 1.00 0.00 O ATOM 659 CB LEU A 45 -16.731 -15.327 -13.324 1.00 0.00 C ATOM 660 CG LEU A 45 -15.475 -14.743 -12.677 1.00 0.00 C ATOM 661 CD1 LEU A 45 -14.246 -15.546 -13.076 1.00 0.00 C ATOM 662 CD2 LEU A 45 -15.307 -13.281 -13.063 1.00 0.00 C ATOM 0 H LEU A 45 -17.562 -14.833 -11.058 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.930 -13.551 -13.495 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.864 -16.345 -12.959 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.564 -15.393 -14.399 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.586 -14.802 -11.594 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.362 -15.116 -12.606 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.364 -16.579 -12.749 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -14.130 -15.520 -14.160 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -14.408 -12.882 -12.593 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -15.218 -13.199 -14.146 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.175 -12.714 -12.726 1.00 0.00 H new ATOM 674 N HIS A 46 -19.266 -15.075 -15.106 1.00 0.00 N ATOM 675 CA HIS A 46 -20.323 -15.690 -15.900 1.00 0.00 C ATOM 676 C HIS A 46 -19.891 -15.844 -17.355 1.00 0.00 C ATOM 677 O HIS A 46 -18.887 -15.269 -17.778 1.00 0.00 O ATOM 678 CB HIS A 46 -21.601 -14.854 -15.821 1.00 0.00 C ATOM 679 CG HIS A 46 -22.845 -15.631 -16.125 1.00 0.00 C ATOM 680 ND1 HIS A 46 -23.566 -15.473 -17.289 1.00 0.00 N ATOM 681 CD2 HIS A 46 -23.494 -16.578 -15.408 1.00 0.00 C ATOM 682 CE1 HIS A 46 -24.605 -16.288 -17.275 1.00 0.00 C ATOM 683 NE2 HIS A 46 -24.585 -16.970 -16.144 1.00 0.00 N ATOM 0 H HIS A 46 -18.610 -14.508 -15.644 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.520 -16.681 -15.492 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.685 -14.427 -14.822 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.524 -14.020 -16.519 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -23.207 -16.955 -14.438 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -25.345 -16.381 -18.056 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -25.268 -17.673 -15.863 1.00 0.00 H new ATOM 691 N ILE A 47 -20.653 -16.622 -18.115 1.00 0.00 N ATOM 692 CA ILE A 47 -20.349 -16.850 -19.522 1.00 0.00 C ATOM 693 C ILE A 47 -20.271 -15.534 -20.288 1.00 0.00 C ATOM 694 O ILE A 47 -21.278 -14.854 -20.478 1.00 0.00 O ATOM 695 CB ILE A 47 -21.402 -17.756 -20.186 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.411 -19.136 -19.524 1.00 0.00 C ATOM 697 CG2 ILE A 47 -21.128 -17.881 -21.678 1.00 0.00 C ATOM 698 CD1 ILE A 47 -20.092 -19.868 -19.635 1.00 0.00 C ATOM 0 H ILE A 47 -21.486 -17.106 -17.780 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.379 -17.347 -19.559 1.00 0.00 H new ATOM 0 HB ILE A 47 -22.385 -17.303 -20.053 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -21.667 -19.023 -18.471 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.194 -19.743 -19.979 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -21.881 -18.524 -22.133 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -21.167 -16.894 -22.139 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -20.140 -18.314 -21.831 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -20.172 -20.838 -19.144 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -19.844 -20.013 -20.686 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -19.309 -19.281 -19.155 1.00 0.00 H new ATOM 710 N ALA A 48 -19.067 -15.182 -20.727 1.00 0.00 N ATOM 711 CA ALA A 48 -18.858 -13.949 -21.477 1.00 0.00 C ATOM 712 C ALA A 48 -18.703 -12.756 -20.539 1.00 0.00 C ATOM 713 O ALA A 48 -19.354 -11.727 -20.716 1.00 0.00 O ATOM 714 CB ALA A 48 -20.009 -13.717 -22.443 1.00 0.00 C ATOM 0 H ALA A 48 -18.222 -15.733 -20.576 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.935 -14.052 -22.048 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.839 -12.793 -22.996 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.072 -14.552 -23.141 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -20.942 -13.640 -21.885 1.00 0.00 H new ATOM 720 N ASP A 49 -17.837 -12.902 -19.542 1.00 0.00 N ATOM 721 CA ASP A 49 -17.597 -11.837 -18.576 1.00 0.00 C ATOM 722 C ASP A 49 -16.196 -11.257 -18.745 1.00 0.00 C ATOM 723 O ASP A 49 -15.220 -11.995 -18.876 1.00 0.00 O ATOM 724 CB ASP A 49 -17.777 -12.361 -17.150 1.00 0.00 C ATOM 725 CG ASP A 49 -19.144 -12.033 -16.582 1.00 0.00 C ATOM 726 OD1 ASP A 49 -19.971 -11.458 -17.319 1.00 0.00 O ATOM 727 OD2 ASP A 49 -19.386 -12.354 -15.400 1.00 0.00 O ATOM 0 H ASP A 49 -17.290 -13.748 -19.382 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.324 -11.045 -18.757 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.633 -13.441 -17.142 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.007 -11.932 -16.508 1.00 0.00 H new ATOM 732 N GLU A 50 -16.106 -9.930 -18.741 1.00 0.00 N ATOM 733 CA GLU A 50 -14.824 -9.252 -18.895 1.00 0.00 C ATOM 734 C GLU A 50 -14.119 -9.108 -17.549 1.00 0.00 C ATOM 735 O GLU A 50 -14.624 -8.452 -16.638 1.00 0.00 O ATOM 736 CB GLU A 50 -15.024 -7.874 -19.529 1.00 0.00 C ATOM 737 CG GLU A 50 -16.014 -7.872 -20.682 1.00 0.00 C ATOM 738 CD GLU A 50 -16.848 -6.607 -20.732 1.00 0.00 C ATOM 739 OE1 GLU A 50 -17.111 -6.027 -19.658 1.00 0.00 O ATOM 740 OE2 GLU A 50 -17.238 -6.197 -21.845 1.00 0.00 O ATOM 0 H GLU A 50 -16.904 -9.304 -18.633 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.198 -9.858 -19.550 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.369 -7.178 -18.764 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.063 -7.505 -19.886 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.472 -7.983 -21.621 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.674 -8.735 -20.591 1.00 0.00 H new ATOM 747 N VAL A 51 -12.948 -9.726 -17.432 1.00 0.00 N ATOM 748 CA VAL A 51 -12.173 -9.667 -16.199 1.00 0.00 C ATOM 749 C VAL A 51 -10.741 -9.218 -16.471 1.00 0.00 C ATOM 750 O VAL A 51 -10.287 -9.219 -17.614 1.00 0.00 O ATOM 751 CB VAL A 51 -12.144 -11.034 -15.488 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.518 -11.376 -14.933 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.658 -12.118 -16.438 1.00 0.00 C ATOM 0 H VAL A 51 -12.516 -10.273 -18.176 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.663 -8.939 -15.552 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.446 -10.976 -14.653 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.478 -12.345 -14.435 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.822 -10.612 -14.218 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.240 -11.417 -15.749 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.644 -13.077 -15.919 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.329 -12.179 -17.295 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.652 -11.876 -16.782 1.00 0.00 H new ATOM 763 N GLU A 52 -10.036 -8.834 -15.411 1.00 0.00 N ATOM 764 CA GLU A 52 -8.655 -8.382 -15.537 1.00 0.00 C ATOM 765 C GLU A 52 -7.723 -9.235 -14.681 1.00 0.00 C ATOM 766 O GLU A 52 -7.995 -9.484 -13.507 1.00 0.00 O ATOM 767 CB GLU A 52 -8.538 -6.912 -15.128 1.00 0.00 C ATOM 768 CG GLU A 52 -7.104 -6.417 -15.039 1.00 0.00 C ATOM 769 CD GLU A 52 -6.893 -5.439 -13.900 1.00 0.00 C ATOM 770 OE1 GLU A 52 -7.830 -4.671 -13.596 1.00 0.00 O ATOM 771 OE2 GLU A 52 -5.792 -5.443 -13.311 1.00 0.00 O ATOM 0 H GLU A 52 -10.398 -8.827 -14.457 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.359 -8.487 -16.581 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.081 -6.299 -15.848 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.022 -6.773 -14.161 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.437 -7.269 -14.909 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.830 -5.938 -15.979 1.00 0.00 H new ATOM 778 N PHE A 53 -6.624 -9.681 -15.279 1.00 0.00 N ATOM 779 CA PHE A 53 -5.651 -10.508 -14.574 1.00 0.00 C ATOM 780 C PHE A 53 -4.234 -10.207 -15.052 1.00 0.00 C ATOM 781 O PHE A 53 -4.033 -9.677 -16.145 1.00 0.00 O ATOM 782 CB PHE A 53 -5.967 -11.991 -14.779 1.00 0.00 C ATOM 783 CG PHE A 53 -6.339 -12.334 -16.193 1.00 0.00 C ATOM 784 CD1 PHE A 53 -5.393 -12.283 -17.204 1.00 0.00 C ATOM 785 CD2 PHE A 53 -7.634 -12.709 -16.512 1.00 0.00 C ATOM 786 CE1 PHE A 53 -5.733 -12.598 -18.507 1.00 0.00 C ATOM 787 CE2 PHE A 53 -7.980 -13.025 -17.812 1.00 0.00 C ATOM 788 CZ PHE A 53 -7.027 -12.971 -18.810 1.00 0.00 C ATOM 0 H PHE A 53 -6.384 -9.484 -16.251 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.714 -10.274 -13.511 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.100 -12.583 -14.486 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.785 -12.275 -14.117 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.379 -11.994 -16.972 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.383 -12.755 -15.735 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.987 -12.552 -19.287 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.994 -13.314 -18.047 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.294 -13.220 -19.826 1.00 0.00 H new ATOM 798 N THR A 54 -3.251 -10.549 -14.223 1.00 0.00 N ATOM 799 CA THR A 54 -1.853 -10.314 -14.558 1.00 0.00 C ATOM 800 C THR A 54 -1.249 -11.519 -15.273 1.00 0.00 C ATOM 801 O THR A 54 -1.225 -12.625 -14.733 1.00 0.00 O ATOM 802 CB THR A 54 -1.018 -10.006 -13.301 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.522 -8.833 -12.654 1.00 0.00 O ATOM 804 CG2 THR A 54 0.447 -9.804 -13.661 1.00 0.00 C ATOM 0 H THR A 54 -3.399 -10.990 -13.315 1.00 0.00 H new ATOM 0 HA THR A 54 -1.828 -9.450 -15.222 1.00 0.00 H new ATOM 0 HB THR A 54 -1.095 -10.856 -12.623 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.987 -8.645 -11.855 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.017 -9.588 -12.758 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.835 -10.710 -14.127 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.539 -8.970 -14.357 1.00 0.00 H new ATOM 968 N ASN A 65 1.195 -19.000 -19.239 1.00 0.00 N ATOM 969 CA ASN A 65 0.962 -17.932 -18.273 1.00 0.00 C ATOM 970 C ASN A 65 -0.291 -18.208 -17.447 1.00 0.00 C ATOM 971 O ASN A 65 -1.249 -18.808 -17.936 1.00 0.00 O ATOM 972 CB ASN A 65 0.827 -16.587 -18.990 1.00 0.00 C ATOM 973 CG ASN A 65 0.499 -16.748 -20.462 1.00 0.00 C ATOM 974 OD1 ASN A 65 -0.276 -17.625 -20.845 1.00 0.00 O ATOM 975 ND2 ASN A 65 1.089 -15.899 -21.296 1.00 0.00 N ATOM 0 HA ASN A 65 1.818 -17.893 -17.600 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.046 -15.998 -18.509 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.757 -16.028 -18.887 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.907 -15.958 -22.298 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.724 -15.188 -20.935 1.00 0.00 H new ATOM 982 N HIS A 66 -0.276 -17.767 -16.194 1.00 0.00 N ATOM 983 CA HIS A 66 -1.412 -17.965 -15.300 1.00 0.00 C ATOM 984 C HIS A 66 -2.055 -16.631 -14.934 1.00 0.00 C ATOM 985 O HIS A 66 -1.434 -15.576 -15.062 1.00 0.00 O ATOM 986 CB HIS A 66 -0.968 -18.696 -14.032 1.00 0.00 C ATOM 987 CG HIS A 66 -0.202 -17.830 -13.079 1.00 0.00 C ATOM 988 ND1 HIS A 66 0.538 -16.717 -13.293 1.00 0.00 N flip ATOM 989 CD2 HIS A 66 -0.140 -18.076 -11.724 1.00 0.00 C flip ATOM 990 CE1 HIS A 66 1.027 -16.314 -12.075 1.00 0.00 C flip ATOM 991 NE2 HIS A 66 0.603 -17.150 -11.145 1.00 0.00 N flip ATOM 0 H HIS A 66 0.510 -17.270 -15.774 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.151 -18.573 -15.821 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.847 -19.092 -13.524 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.350 -19.549 -14.312 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.623 -18.897 -11.216 1.00 0.00 H new ATOM 0 HE1 HIS A 66 1.656 -15.453 -11.905 1.00 0.00 H new ATOM 0 HE2 HIS A 66 0.813 -17.091 -10.149 1.00 0.00 H new ATOM 999 N ALA A 67 -3.302 -16.686 -14.479 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.029 -15.483 -14.093 1.00 0.00 C ATOM 1001 C ALA A 67 -4.178 -15.393 -12.579 1.00 0.00 C ATOM 1002 O ALA A 67 -4.498 -16.382 -11.918 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.395 -15.453 -14.763 1.00 0.00 C ATOM 0 H ALA A 67 -3.830 -17.551 -14.369 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.454 -14.619 -14.427 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.926 -14.549 -14.465 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.269 -15.460 -15.846 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.969 -16.328 -14.458 1.00 0.00 H new ATOM 1009 N ILE A 68 -3.944 -14.203 -12.035 1.00 0.00 N ATOM 1010 CA ILE A 68 -4.054 -13.986 -10.598 1.00 0.00 C ATOM 1011 C ILE A 68 -5.020 -12.848 -10.286 1.00 0.00 C ATOM 1012 O ILE A 68 -5.280 -11.992 -11.131 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.684 -13.667 -9.971 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -2.110 -12.382 -10.572 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.723 -14.829 -10.177 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -1.188 -11.635 -9.634 1.00 0.00 C ATOM 0 H ILE A 68 -3.677 -13.375 -12.568 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.436 -14.912 -10.167 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.818 -13.517 -8.900 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.566 -12.629 -11.484 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.932 -11.726 -10.859 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.759 -14.588 -9.728 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.129 -15.725 -9.706 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.592 -15.008 -11.244 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.819 -10.735 -10.127 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.734 -11.357 -8.732 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.346 -12.273 -9.366 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.548 -12.846 -9.066 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.486 -11.813 -8.642 1.00 0.00 C ATOM 1030 C ARG A 69 -7.413 -11.416 -9.788 1.00 0.00 C ATOM 1031 O ARG A 69 -7.189 -10.409 -10.459 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.729 -10.584 -8.135 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.857 -10.864 -6.922 1.00 0.00 C ATOM 1034 CD ARG A 69 -5.662 -10.815 -5.633 1.00 0.00 C ATOM 1035 NE ARG A 69 -5.250 -11.851 -4.691 1.00 0.00 N ATOM 1036 CZ ARG A 69 -4.185 -11.747 -3.903 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -3.430 -10.658 -3.945 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -3.874 -12.733 -3.071 1.00 0.00 N ATOM 0 H ARG A 69 -5.342 -13.547 -8.355 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.092 -12.218 -7.832 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.104 -10.195 -8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.447 -9.804 -7.883 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.393 -11.845 -7.025 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.050 -10.133 -6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.544 -9.836 -5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.721 -10.934 -5.862 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.810 -12.701 -4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.666 -9.898 -4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.613 -10.580 -3.339 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.453 -13.572 -3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.056 -12.652 -2.467 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.452 -12.215 -10.004 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.412 -11.946 -11.068 1.00 0.00 C ATOM 1054 C ILE A 70 -10.400 -10.861 -10.655 1.00 0.00 C ATOM 1055 O ILE A 70 -11.200 -11.049 -9.738 1.00 0.00 O ATOM 1056 CB ILE A 70 -10.194 -13.216 -11.455 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -9.281 -14.199 -12.191 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -11.396 -12.856 -12.314 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.952 -15.512 -12.526 1.00 0.00 C ATOM 0 H ILE A 70 -8.651 -13.053 -9.457 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.840 -11.604 -11.930 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.553 -13.696 -10.545 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.929 -13.735 -13.112 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.402 -14.396 -11.577 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.938 -13.763 -12.579 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.055 -12.189 -11.757 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.058 -12.357 -13.222 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.246 -16.159 -13.047 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.280 -15.998 -11.607 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.814 -15.327 -13.166 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.342 -9.724 -11.340 1.00 0.00 N ATOM 1072 CA LYS A 71 -11.233 -8.607 -11.048 1.00 0.00 C ATOM 1073 C LYS A 71 -12.017 -8.198 -12.291 1.00 0.00 C ATOM 1074 O LYS A 71 -11.436 -7.914 -13.339 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.433 -7.414 -10.520 1.00 0.00 C ATOM 1076 CG LYS A 71 -11.206 -6.551 -9.537 1.00 0.00 C ATOM 1077 CD LYS A 71 -11.745 -5.296 -10.202 1.00 0.00 C ATOM 1078 CE LYS A 71 -11.192 -4.038 -9.549 1.00 0.00 C ATOM 1079 NZ LYS A 71 -11.789 -3.801 -8.206 1.00 0.00 N ATOM 0 H LYS A 71 -9.686 -9.552 -12.102 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.940 -8.928 -10.283 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.528 -7.780 -10.036 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.117 -6.798 -11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.032 -7.126 -9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.557 -6.274 -8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.484 -5.303 -11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.833 -5.290 -10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.109 -4.124 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.389 -3.179 -10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.386 -2.935 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.819 -3.694 -8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.579 -4.609 -7.585 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.340 -8.167 -12.167 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.204 -7.789 -13.279 1.00 0.00 C ATOM 1095 C LYS A 72 -13.991 -6.328 -13.662 1.00 0.00 C ATOM 1096 O LYS A 72 -13.678 -5.492 -12.813 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.672 -8.022 -12.912 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.467 -8.720 -14.002 1.00 0.00 C ATOM 1099 CD LYS A 72 -17.863 -9.087 -13.525 1.00 0.00 C ATOM 1100 CE LYS A 72 -18.831 -9.223 -14.690 1.00 0.00 C ATOM 1101 NZ LYS A 72 -20.237 -9.386 -14.226 1.00 0.00 N ATOM 0 H LYS A 72 -13.837 -8.399 -11.307 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.946 -8.412 -14.135 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.720 -8.618 -12.001 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.139 -7.063 -12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.538 -8.070 -14.874 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.941 -9.621 -14.318 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.825 -10.025 -12.971 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.226 -8.324 -12.836 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.759 -8.342 -15.327 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.548 -10.081 -15.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.866 -9.475 -15.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.312 -10.241 -13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.516 -8.556 -13.666 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.163 -6.027 -14.944 1.00 0.00 N ATOM 1116 CA LEU A 73 -13.990 -4.666 -15.440 1.00 0.00 C ATOM 1117 C LEU A 73 -15.337 -4.036 -15.783 1.00 0.00 C ATOM 1118 O LEU A 73 -16.270 -4.709 -16.221 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.084 -4.661 -16.671 1.00 0.00 C ATOM 1120 CG LEU A 73 -11.666 -5.196 -16.463 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.074 -5.667 -17.783 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -10.782 -4.132 -15.830 1.00 0.00 C ATOM 0 H LEU A 73 -14.422 -6.707 -15.659 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.523 -4.076 -14.652 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.563 -5.252 -17.452 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.014 -3.638 -17.042 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.716 -6.049 -15.786 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.065 -6.044 -17.615 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.694 -6.462 -18.197 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.038 -4.833 -18.484 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.777 -4.530 -15.689 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.739 -3.260 -16.482 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.196 -3.843 -14.864 1.00 0.00 H new ATOM 1134 N PRO A 74 -15.441 -2.714 -15.582 1.00 0.00 N ATOM 1135 CA PRO A 74 -16.668 -1.965 -15.867 1.00 0.00 C ATOM 1136 C PRO A 74 -16.949 -1.859 -17.362 1.00 0.00 C ATOM 1137 O PRO A 74 -16.028 -1.838 -18.178 1.00 0.00 O ATOM 1138 CB PRO A 74 -16.384 -0.581 -15.277 1.00 0.00 C ATOM 1139 CG PRO A 74 -14.899 -0.461 -15.292 1.00 0.00 C ATOM 1140 CD PRO A 74 -14.369 -1.849 -15.062 1.00 0.00 C ATOM 0 HA PRO A 74 -17.549 -2.451 -15.446 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -16.851 0.206 -15.870 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -16.778 -0.494 -14.265 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.549 -0.063 -16.244 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.555 0.222 -14.515 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.429 -2.013 -15.589 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.178 -2.036 -14.005 1.00 0.00 H new ATOM 1148 N LYS A 75 -18.229 -1.792 -17.715 1.00 0.00 N ATOM 1149 CA LYS A 75 -18.632 -1.686 -19.112 1.00 0.00 C ATOM 1150 C LYS A 75 -17.985 -0.475 -19.775 1.00 0.00 C ATOM 1151 O LYS A 75 -17.745 0.544 -19.130 1.00 0.00 O ATOM 1152 CB LYS A 75 -20.156 -1.585 -19.218 1.00 0.00 C ATOM 1153 CG LYS A 75 -20.807 -2.821 -19.814 1.00 0.00 C ATOM 1154 CD LYS A 75 -21.069 -3.879 -18.755 1.00 0.00 C ATOM 1155 CE LYS A 75 -20.447 -5.214 -19.135 1.00 0.00 C ATOM 1156 NZ LYS A 75 -20.678 -6.251 -18.091 1.00 0.00 N ATOM 0 H LYS A 75 -19.004 -1.809 -17.053 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.296 -2.584 -19.630 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -20.570 -1.409 -18.225 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -20.413 -0.719 -19.828 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -21.746 -2.544 -20.293 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.163 -3.234 -20.591 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -20.664 -3.547 -17.799 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -22.144 -4.002 -18.620 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.866 -5.553 -20.083 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.376 -5.085 -19.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.239 -7.146 -18.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -20.256 -5.939 -17.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -21.700 -6.393 -17.963 1.00 0.00 H new ATOM 1170 N GLY A 76 -17.705 -0.593 -21.070 1.00 0.00 N ATOM 1171 CA GLY A 76 -17.090 0.500 -21.799 1.00 0.00 C ATOM 1172 C GLY A 76 -15.579 0.504 -21.671 1.00 0.00 C ATOM 1173 O GLY A 76 -14.983 1.512 -21.291 1.00 0.00 O ATOM 0 H GLY A 76 -17.893 -1.427 -21.627 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.362 0.429 -22.852 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.485 1.447 -21.431 1.00 0.00 H new ATOM 1177 N THR A 77 -14.957 -0.627 -21.988 1.00 0.00 N ATOM 1178 CA THR A 77 -13.507 -0.751 -21.904 1.00 0.00 C ATOM 1179 C THR A 77 -13.016 -1.985 -22.653 1.00 0.00 C ATOM 1180 O THR A 77 -12.305 -1.876 -23.652 1.00 0.00 O ATOM 1181 CB THR A 77 -13.034 -0.831 -20.441 1.00 0.00 C ATOM 1182 OG1 THR A 77 -13.517 0.299 -19.707 1.00 0.00 O ATOM 1183 CG2 THR A 77 -11.515 -0.880 -20.365 1.00 0.00 C ATOM 0 H THR A 77 -15.435 -1.470 -22.305 1.00 0.00 H new ATOM 0 HA THR A 77 -13.086 0.142 -22.366 1.00 0.00 H new ATOM 0 HB THR A 77 -13.434 -1.746 -20.003 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.713 1.032 -20.327 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.205 -0.936 -19.322 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.152 -1.758 -20.899 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.099 0.019 -20.819 1.00 0.00 H new ATOM 1191 N VAL A 78 -13.402 -3.160 -22.165 1.00 0.00 N ATOM 1192 CA VAL A 78 -13.003 -4.415 -22.790 1.00 0.00 C ATOM 1193 C VAL A 78 -13.742 -4.634 -24.105 1.00 0.00 C ATOM 1194 O VAL A 78 -14.847 -4.129 -24.300 1.00 0.00 O ATOM 1195 CB VAL A 78 -13.267 -5.614 -21.860 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -12.455 -6.822 -22.301 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -12.953 -5.248 -20.417 1.00 0.00 C ATOM 0 H VAL A 78 -13.990 -3.269 -21.339 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.933 -4.345 -22.985 1.00 0.00 H new ATOM 0 HB VAL A 78 -14.324 -5.874 -21.923 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.655 -7.659 -21.632 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.734 -7.096 -23.318 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.393 -6.578 -22.269 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.145 -6.107 -19.774 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.905 -4.960 -20.334 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.584 -4.415 -20.108 1.00 0.00 H new