USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 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 158:sc= 0 (180deg=-0.686) USER MOD Single : A 16 MET CE :methyl 149:sc= -0.148 (180deg=-1.01) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -136:sc= 0 (180deg=-0.856) USER MOD Single : A 35 HIS : no HD1:sc= -0.868 X(o=-0.87,f=-1.2) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -2.25! C(o=-2.8!,f=-2.2!) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -139:sc= -0.661 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -3.19 F(o=-4.7!,f=-3.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -133:sc= 0.973 (180deg=-0.0195) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -2.012 -4.911 -17.719 1.00 0.00 N ATOM 67 CA ARG A 8 -3.241 -5.616 -17.376 1.00 0.00 C ATOM 68 C ARG A 8 -4.014 -6.004 -18.632 1.00 0.00 C ATOM 69 O ARG A 8 -4.396 -5.146 -19.428 1.00 0.00 O ATOM 70 CB ARG A 8 -4.118 -4.746 -16.473 1.00 0.00 C ATOM 71 CG ARG A 8 -4.327 -3.337 -17.001 1.00 0.00 C ATOM 72 CD ARG A 8 -3.654 -2.303 -16.113 1.00 0.00 C ATOM 73 NE ARG A 8 -4.618 -1.579 -15.288 1.00 0.00 N ATOM 74 CZ ARG A 8 -5.444 -0.654 -15.763 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.424 -0.341 -17.051 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.293 -0.040 -14.949 1.00 0.00 N ATOM 0 HA ARG A 8 -2.971 -6.526 -16.841 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.089 -5.227 -16.351 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.663 -4.690 -15.484 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.928 -3.264 -18.013 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.394 -3.125 -17.063 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.925 -2.797 -15.470 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.104 -1.595 -16.733 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.659 -1.796 -14.292 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.773 -0.811 -17.680 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.060 0.370 -17.413 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.312 -0.278 -13.957 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.927 0.670 -15.315 1.00 0.00 H new ATOM 90 N GLU A 9 -4.241 -7.303 -18.804 1.00 0.00 N ATOM 91 CA GLU A 9 -4.968 -7.804 -19.964 1.00 0.00 C ATOM 92 C GLU A 9 -6.408 -8.151 -19.597 1.00 0.00 C ATOM 93 O GLU A 9 -6.717 -8.414 -18.435 1.00 0.00 O ATOM 94 CB GLU A 9 -4.267 -9.036 -20.540 1.00 0.00 C ATOM 95 CG GLU A 9 -3.069 -8.701 -21.414 1.00 0.00 C ATOM 96 CD GLU A 9 -3.420 -8.646 -22.888 1.00 0.00 C ATOM 97 OE1 GLU A 9 -3.520 -9.720 -23.516 1.00 0.00 O ATOM 98 OE2 GLU A 9 -3.596 -7.526 -23.414 1.00 0.00 O ATOM 0 H GLU A 9 -3.932 -8.027 -18.155 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.983 -7.017 -20.718 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.940 -9.675 -19.719 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.984 -9.611 -21.126 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.657 -7.740 -21.106 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.290 -9.447 -21.257 1.00 0.00 H new ATOM 105 N MET A 10 -7.285 -8.148 -20.596 1.00 0.00 N ATOM 106 CA MET A 10 -8.692 -8.463 -20.378 1.00 0.00 C ATOM 107 C MET A 10 -9.139 -9.606 -21.283 1.00 0.00 C ATOM 108 O MET A 10 -8.523 -9.872 -22.314 1.00 0.00 O ATOM 109 CB MET A 10 -9.558 -7.227 -20.631 1.00 0.00 C ATOM 110 CG MET A 10 -9.168 -6.028 -19.783 1.00 0.00 C ATOM 111 SD MET A 10 -7.770 -5.118 -20.468 1.00 0.00 S ATOM 112 CE MET A 10 -8.383 -3.437 -20.378 1.00 0.00 C ATOM 0 H MET A 10 -7.046 -7.931 -21.564 1.00 0.00 H new ATOM 0 HA MET A 10 -8.813 -8.776 -19.341 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.489 -6.955 -21.684 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.600 -7.477 -20.434 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.023 -5.358 -19.693 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.919 -6.365 -18.777 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.543 -2.743 -20.385 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.025 -3.238 -21.236 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.954 -3.307 -19.459 1.00 0.00 H new ATOM 122 N GLY A 11 -10.216 -10.280 -20.889 1.00 0.00 N ATOM 123 CA GLY A 11 -10.727 -11.387 -21.676 1.00 0.00 C ATOM 124 C GLY A 11 -12.128 -11.794 -21.263 1.00 0.00 C ATOM 125 O GLY A 11 -12.633 -11.350 -20.232 1.00 0.00 O ATOM 0 H GLY A 11 -10.743 -10.079 -20.039 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.729 -11.109 -22.730 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.058 -12.242 -21.573 1.00 0.00 H new ATOM 129 N VAL A 12 -12.759 -12.641 -22.071 1.00 0.00 N ATOM 130 CA VAL A 12 -14.110 -13.107 -21.785 1.00 0.00 C ATOM 131 C VAL A 12 -14.104 -14.564 -21.335 1.00 0.00 C ATOM 132 O VAL A 12 -13.347 -15.382 -21.857 1.00 0.00 O ATOM 133 CB VAL A 12 -15.025 -12.965 -23.015 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.275 -11.497 -23.328 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.421 -13.679 -24.214 1.00 0.00 C ATOM 0 H VAL A 12 -12.356 -13.018 -22.929 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.497 -12.482 -20.980 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.984 -13.432 -22.789 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.924 -11.416 -24.200 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.755 -11.019 -22.474 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.326 -11.002 -23.535 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.081 -13.568 -25.074 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.449 -13.244 -24.445 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.300 -14.738 -23.984 1.00 0.00 H new ATOM 145 N ILE A 13 -14.955 -14.881 -20.364 1.00 0.00 N ATOM 146 CA ILE A 13 -15.049 -16.240 -19.846 1.00 0.00 C ATOM 147 C ILE A 13 -15.809 -17.145 -20.810 1.00 0.00 C ATOM 148 O ILE A 13 -17.029 -17.278 -20.721 1.00 0.00 O ATOM 149 CB ILE A 13 -15.746 -16.272 -18.473 1.00 0.00 C ATOM 150 CG1 ILE A 13 -15.038 -15.331 -17.496 1.00 0.00 C ATOM 151 CG2 ILE A 13 -15.773 -17.691 -17.925 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.642 -15.782 -17.126 1.00 0.00 C ATOM 0 H ILE A 13 -15.588 -14.215 -19.921 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.028 -16.606 -19.735 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.774 -15.932 -18.596 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.984 -14.336 -17.937 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.636 -15.246 -16.589 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.269 -17.697 -16.954 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.317 -18.337 -18.614 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.753 -18.057 -17.813 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.201 -15.068 -16.431 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.690 -16.764 -16.655 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.028 -15.840 -18.025 1.00 0.00 H new ATOM 164 N ALA A 14 -15.078 -17.767 -21.730 1.00 0.00 N ATOM 165 CA ALA A 14 -15.683 -18.662 -22.708 1.00 0.00 C ATOM 166 C ALA A 14 -16.374 -19.837 -22.023 1.00 0.00 C ATOM 167 O ALA A 14 -17.315 -20.417 -22.565 1.00 0.00 O ATOM 168 CB ALA A 14 -14.630 -19.164 -23.685 1.00 0.00 C ATOM 0 H ALA A 14 -14.067 -17.667 -21.818 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.438 -18.101 -23.260 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.095 -19.832 -24.410 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.184 -18.317 -24.206 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.856 -19.704 -23.140 1.00 0.00 H new ATOM 174 N ALA A 15 -15.902 -20.182 -20.830 1.00 0.00 N ATOM 175 CA ALA A 15 -16.476 -21.286 -20.072 1.00 0.00 C ATOM 176 C ALA A 15 -16.090 -21.200 -18.599 1.00 0.00 C ATOM 177 O ALA A 15 -15.039 -20.661 -18.254 1.00 0.00 O ATOM 178 CB ALA A 15 -16.032 -22.617 -20.659 1.00 0.00 C ATOM 0 H ALA A 15 -15.123 -19.713 -20.368 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.562 -21.215 -20.141 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.469 -23.433 -20.083 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.364 -22.687 -21.695 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.945 -22.687 -20.621 1.00 0.00 H new ATOM 184 N MET A 16 -16.946 -21.734 -17.735 1.00 0.00 N ATOM 185 CA MET A 16 -16.693 -21.718 -16.299 1.00 0.00 C ATOM 186 C MET A 16 -17.409 -22.873 -15.607 1.00 0.00 C ATOM 187 O MET A 16 -18.293 -22.660 -14.776 1.00 0.00 O ATOM 188 CB MET A 16 -17.146 -20.387 -15.695 1.00 0.00 C ATOM 189 CG MET A 16 -18.609 -20.067 -15.957 1.00 0.00 C ATOM 190 SD MET A 16 -19.570 -19.919 -14.439 1.00 0.00 S ATOM 191 CE MET A 16 -18.648 -18.648 -13.577 1.00 0.00 C ATOM 0 H MET A 16 -17.821 -22.183 -18.004 1.00 0.00 H new ATOM 0 HA MET A 16 -15.620 -21.834 -16.143 1.00 0.00 H new ATOM 0 HB2 MET A 16 -16.974 -20.409 -14.619 1.00 0.00 H new ATOM 0 HB3 MET A 16 -16.529 -19.585 -16.100 1.00 0.00 H new ATOM 0 HG2 MET A 16 -18.678 -19.135 -16.519 1.00 0.00 H new ATOM 0 HG3 MET A 16 -19.042 -20.849 -16.582 1.00 0.00 H new ATOM 0 HE1 MET A 16 -19.327 -18.065 -12.955 1.00 0.00 H new ATOM 0 HE2 MET A 16 -17.888 -19.113 -12.948 1.00 0.00 H new ATOM 0 HE3 MET A 16 -18.167 -17.992 -14.303 1.00 0.00 H new ATOM 201 N ARG A 17 -17.023 -24.096 -15.955 1.00 0.00 N ATOM 202 CA ARG A 17 -17.630 -25.285 -15.369 1.00 0.00 C ATOM 203 C ARG A 17 -17.423 -25.312 -13.857 1.00 0.00 C ATOM 204 O ARG A 17 -16.810 -24.408 -13.289 1.00 0.00 O ATOM 205 CB ARG A 17 -17.040 -26.548 -15.998 1.00 0.00 C ATOM 206 CG ARG A 17 -17.156 -26.586 -17.513 1.00 0.00 C ATOM 207 CD ARG A 17 -18.601 -26.759 -17.957 1.00 0.00 C ATOM 208 NE ARG A 17 -19.390 -25.551 -17.734 1.00 0.00 N ATOM 209 CZ ARG A 17 -19.300 -24.464 -18.492 1.00 0.00 C ATOM 210 NH1 ARG A 17 -18.459 -24.434 -19.517 1.00 0.00 N ATOM 211 NH2 ARG A 17 -20.052 -23.403 -18.225 1.00 0.00 N ATOM 0 H ARG A 17 -16.292 -24.290 -16.640 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.701 -25.253 -15.571 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.989 -26.625 -15.721 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.544 -27.420 -15.582 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.753 -25.665 -17.933 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.553 -27.405 -17.905 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.626 -27.018 -19.015 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -19.050 -27.591 -17.414 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.046 -25.541 -16.953 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.879 -25.247 -19.725 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.392 -23.598 -20.097 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.700 -23.422 -17.437 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.982 -22.569 -18.808 1.00 0.00 H new ATOM 225 N ASP A 18 -17.937 -26.354 -13.213 1.00 0.00 N ATOM 226 CA ASP A 18 -17.808 -26.499 -11.768 1.00 0.00 C ATOM 227 C ASP A 18 -16.439 -27.063 -11.399 1.00 0.00 C ATOM 228 O ASP A 18 -16.275 -28.273 -11.250 1.00 0.00 O ATOM 229 CB ASP A 18 -18.911 -27.408 -11.225 1.00 0.00 C ATOM 230 CG ASP A 18 -19.812 -26.697 -10.235 1.00 0.00 C ATOM 231 OD1 ASP A 18 -19.296 -25.886 -9.438 1.00 0.00 O ATOM 232 OD2 ASP A 18 -21.035 -26.951 -10.257 1.00 0.00 O ATOM 0 H ASP A 18 -18.447 -27.111 -13.669 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.908 -25.511 -11.318 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -19.511 -27.782 -12.055 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -18.459 -28.275 -10.743 1.00 0.00 H new ATOM 237 N GLY A 19 -15.459 -26.177 -11.253 1.00 0.00 N ATOM 238 CA GLY A 19 -14.117 -26.605 -10.904 1.00 0.00 C ATOM 239 C GLY A 19 -13.048 -25.825 -11.644 1.00 0.00 C ATOM 240 O GLY A 19 -11.952 -25.614 -11.125 1.00 0.00 O ATOM 0 H GLY A 19 -15.570 -25.170 -11.370 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.970 -26.488 -9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.008 -27.666 -11.127 1.00 0.00 H new ATOM 244 N PHE A 20 -13.367 -25.395 -12.860 1.00 0.00 N ATOM 245 CA PHE A 20 -12.425 -24.636 -13.674 1.00 0.00 C ATOM 246 C PHE A 20 -13.160 -23.772 -14.694 1.00 0.00 C ATOM 247 O PHE A 20 -14.389 -23.707 -14.698 1.00 0.00 O ATOM 248 CB PHE A 20 -11.460 -25.583 -14.392 1.00 0.00 C ATOM 249 CG PHE A 20 -12.082 -26.305 -15.553 1.00 0.00 C ATOM 250 CD1 PHE A 20 -13.211 -27.089 -15.373 1.00 0.00 C ATOM 251 CD2 PHE A 20 -11.538 -26.201 -16.823 1.00 0.00 C ATOM 252 CE1 PHE A 20 -13.786 -27.755 -16.439 1.00 0.00 C ATOM 253 CE2 PHE A 20 -12.109 -26.865 -17.892 1.00 0.00 C ATOM 254 CZ PHE A 20 -13.234 -27.643 -17.700 1.00 0.00 C ATOM 0 H PHE A 20 -14.271 -25.559 -13.304 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.857 -23.982 -13.012 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.601 -25.013 -14.747 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.084 -26.316 -13.678 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -13.646 -27.180 -14.389 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.658 -25.594 -16.979 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -14.666 -28.362 -16.286 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -11.676 -26.776 -18.877 1.00 0.00 H new ATOM 0 HZ PHE A 20 -13.681 -28.163 -18.534 1.00 0.00 H new ATOM 264 N GLY A 21 -12.398 -23.107 -15.558 1.00 0.00 N ATOM 265 CA GLY A 21 -12.993 -22.255 -16.570 1.00 0.00 C ATOM 266 C GLY A 21 -12.026 -21.920 -17.688 1.00 0.00 C ATOM 267 O GLY A 21 -10.998 -22.579 -17.847 1.00 0.00 O ATOM 0 H GLY A 21 -11.379 -23.144 -15.574 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.869 -22.750 -16.988 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.340 -21.332 -16.105 1.00 0.00 H new ATOM 271 N PHE A 22 -12.356 -20.895 -18.467 1.00 0.00 N ATOM 272 CA PHE A 22 -11.511 -20.476 -19.578 1.00 0.00 C ATOM 273 C PHE A 22 -11.750 -19.008 -19.920 1.00 0.00 C ATOM 274 O PHE A 22 -12.865 -18.503 -19.788 1.00 0.00 O ATOM 275 CB PHE A 22 -11.778 -21.348 -20.807 1.00 0.00 C ATOM 276 CG PHE A 22 -11.055 -22.664 -20.776 1.00 0.00 C ATOM 277 CD1 PHE A 22 -9.683 -22.712 -20.593 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.748 -23.854 -20.932 1.00 0.00 C ATOM 279 CE1 PHE A 22 -9.014 -23.921 -20.564 1.00 0.00 C ATOM 280 CE2 PHE A 22 -11.085 -25.066 -20.904 1.00 0.00 C ATOM 281 CZ PHE A 22 -9.717 -25.100 -20.721 1.00 0.00 C ATOM 0 H PHE A 22 -13.203 -20.339 -18.349 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.471 -20.595 -19.276 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.849 -21.533 -20.886 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.482 -20.801 -21.702 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.129 -21.793 -20.471 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.818 -23.834 -21.077 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.944 -23.944 -20.419 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.637 -25.986 -21.025 1.00 0.00 H new ATOM 0 HZ PHE A 22 -9.197 -26.047 -20.701 1.00 0.00 H new ATOM 291 N ILE A 23 -10.695 -18.330 -20.360 1.00 0.00 N ATOM 292 CA ILE A 23 -10.790 -16.921 -20.721 1.00 0.00 C ATOM 293 C ILE A 23 -10.137 -16.655 -22.073 1.00 0.00 C ATOM 294 O ILE A 23 -8.911 -16.621 -22.187 1.00 0.00 O ATOM 295 CB ILE A 23 -10.131 -16.022 -19.659 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.636 -16.390 -18.263 1.00 0.00 C ATOM 297 CG2 ILE A 23 -10.408 -14.557 -19.960 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.552 -16.390 -17.208 1.00 0.00 C ATOM 0 H ILE A 23 -9.765 -18.733 -20.475 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.852 -16.681 -20.780 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.053 -16.181 -19.688 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.416 -15.687 -17.971 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.095 -17.378 -18.300 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.936 -13.934 -19.201 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.003 -14.304 -20.940 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.484 -14.382 -19.955 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.983 -16.660 -16.244 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.783 -17.114 -17.477 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.108 -15.397 -17.142 1.00 0.00 H new ATOM 310 N LYS A 24 -10.963 -16.465 -23.096 1.00 0.00 N ATOM 311 CA LYS A 24 -10.467 -16.199 -24.441 1.00 0.00 C ATOM 312 C LYS A 24 -9.604 -14.942 -24.464 1.00 0.00 C ATOM 313 O LYS A 24 -10.103 -13.831 -24.279 1.00 0.00 O ATOM 314 CB LYS A 24 -11.636 -16.045 -25.417 1.00 0.00 C ATOM 315 CG LYS A 24 -11.204 -15.760 -26.845 1.00 0.00 C ATOM 316 CD LYS A 24 -12.158 -16.380 -27.851 1.00 0.00 C ATOM 317 CE LYS A 24 -13.112 -15.345 -28.427 1.00 0.00 C ATOM 318 NZ LYS A 24 -13.582 -15.722 -29.789 1.00 0.00 N ATOM 0 H LYS A 24 -11.980 -16.490 -23.019 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.853 -17.046 -24.749 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.233 -16.957 -25.402 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.281 -15.236 -25.073 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.157 -14.683 -27.003 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.199 -16.150 -27.007 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.588 -16.840 -28.658 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.729 -17.175 -27.371 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.970 -15.234 -27.764 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.614 -14.376 -28.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.230 -14.992 -30.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.765 -15.804 -30.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.079 -16.634 -29.744 1.00 0.00 H new ATOM 332 N CYS A 25 -8.308 -15.124 -24.693 1.00 0.00 N ATOM 333 CA CYS A 25 -7.375 -14.003 -24.740 1.00 0.00 C ATOM 334 C CYS A 25 -7.475 -13.269 -26.073 1.00 0.00 C ATOM 335 O CYS A 25 -7.290 -13.862 -27.136 1.00 0.00 O ATOM 336 CB CYS A 25 -5.944 -14.495 -24.521 1.00 0.00 C ATOM 337 SG CYS A 25 -5.477 -14.656 -22.781 1.00 0.00 S ATOM 0 H CYS A 25 -7.879 -16.036 -24.849 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.639 -13.308 -23.943 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.825 -15.462 -25.009 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.255 -13.805 -25.009 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.251 -15.080 -22.698 1.00 0.00 H new ATOM 343 N VAL A 26 -7.771 -11.975 -26.009 1.00 0.00 N ATOM 344 CA VAL A 26 -7.896 -11.158 -27.210 1.00 0.00 C ATOM 345 C VAL A 26 -6.571 -11.078 -27.961 1.00 0.00 C ATOM 346 O VAL A 26 -6.546 -10.970 -29.187 1.00 0.00 O ATOM 347 CB VAL A 26 -8.370 -9.732 -26.873 1.00 0.00 C ATOM 348 CG1 VAL A 26 -8.722 -8.972 -28.143 1.00 0.00 C ATOM 349 CG2 VAL A 26 -9.557 -9.776 -25.923 1.00 0.00 C ATOM 0 H VAL A 26 -7.929 -11.469 -25.137 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.641 -11.639 -27.844 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.555 -9.205 -26.376 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.055 -7.967 -27.885 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.843 -8.910 -28.785 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.520 -9.494 -28.670 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.879 -8.760 -25.696 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.377 -10.320 -26.391 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.267 -10.280 -25.001 1.00 0.00 H new ATOM 359 N ASP A 27 -5.472 -11.132 -27.217 1.00 0.00 N ATOM 360 CA ASP A 27 -4.142 -11.067 -27.811 1.00 0.00 C ATOM 361 C ASP A 27 -3.776 -12.394 -28.469 1.00 0.00 C ATOM 362 O ASP A 27 -3.237 -12.421 -29.576 1.00 0.00 O ATOM 363 CB ASP A 27 -3.103 -10.706 -26.749 1.00 0.00 C ATOM 364 CG ASP A 27 -2.082 -9.705 -27.255 1.00 0.00 C ATOM 365 OD1 ASP A 27 -1.286 -10.069 -28.146 1.00 0.00 O ATOM 366 OD2 ASP A 27 -2.079 -8.558 -26.760 1.00 0.00 O ATOM 0 H ASP A 27 -5.476 -11.221 -26.201 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.150 -10.292 -28.577 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.608 -10.295 -25.875 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.590 -11.611 -26.424 1.00 0.00 H new ATOM 371 N ARG A 28 -4.070 -13.491 -27.780 1.00 0.00 N ATOM 372 CA ARG A 28 -3.770 -14.821 -28.296 1.00 0.00 C ATOM 373 C ARG A 28 -5.001 -15.443 -28.948 1.00 0.00 C ATOM 374 O ARG A 28 -6.070 -14.833 -28.987 1.00 0.00 O ATOM 375 CB ARG A 28 -3.264 -15.726 -27.171 1.00 0.00 C ATOM 376 CG ARG A 28 -1.829 -15.440 -26.759 1.00 0.00 C ATOM 377 CD ARG A 28 -0.848 -15.816 -27.858 1.00 0.00 C ATOM 378 NE ARG A 28 -0.176 -14.645 -28.416 1.00 0.00 N ATOM 379 CZ ARG A 28 0.603 -13.837 -27.705 1.00 0.00 C ATOM 380 NH1 ARG A 28 0.808 -14.073 -26.416 1.00 0.00 N ATOM 381 NH2 ARG A 28 1.180 -12.792 -28.284 1.00 0.00 N ATOM 0 H ARG A 28 -4.516 -13.485 -26.863 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.991 -14.722 -29.052 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.913 -15.609 -26.303 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.341 -16.766 -27.490 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.722 -14.382 -26.521 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.592 -15.997 -25.852 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.104 -16.505 -27.459 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.377 -16.343 -28.652 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.312 -14.436 -29.405 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.367 -14.876 -25.968 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.407 -13.451 -25.873 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.026 -12.609 -29.275 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.778 -12.172 -27.738 1.00 0.00 H new ATOM 395 N ASP A 29 -4.843 -16.658 -29.460 1.00 0.00 N ATOM 396 CA ASP A 29 -5.942 -17.363 -30.110 1.00 0.00 C ATOM 397 C ASP A 29 -6.540 -18.414 -29.180 1.00 0.00 C ATOM 398 O ASP A 29 -7.641 -18.911 -29.414 1.00 0.00 O ATOM 399 CB ASP A 29 -5.459 -18.024 -31.402 1.00 0.00 C ATOM 400 CG ASP A 29 -4.778 -19.355 -31.152 1.00 0.00 C ATOM 401 OD1 ASP A 29 -3.685 -19.358 -30.550 1.00 0.00 O ATOM 402 OD2 ASP A 29 -5.339 -20.394 -31.560 1.00 0.00 O ATOM 0 H ASP A 29 -3.964 -17.176 -29.438 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.716 -16.634 -30.351 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.308 -18.173 -32.070 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.766 -17.355 -31.912 1.00 0.00 H new ATOM 407 N VAL A 30 -5.806 -18.748 -28.123 1.00 0.00 N ATOM 408 CA VAL A 30 -6.263 -19.739 -27.157 1.00 0.00 C ATOM 409 C VAL A 30 -6.674 -19.080 -25.845 1.00 0.00 C ATOM 410 O VAL A 30 -6.164 -18.019 -25.486 1.00 0.00 O ATOM 411 CB VAL A 30 -5.173 -20.790 -26.872 1.00 0.00 C ATOM 412 CG1 VAL A 30 -4.782 -21.514 -28.151 1.00 0.00 C ATOM 413 CG2 VAL A 30 -3.960 -20.137 -26.227 1.00 0.00 C ATOM 0 H VAL A 30 -4.892 -18.346 -27.914 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.128 -20.234 -27.598 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.575 -21.526 -26.175 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.011 -22.252 -27.930 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.656 -22.015 -28.567 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.398 -20.794 -28.874 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.200 -20.894 -26.032 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.555 -19.380 -26.898 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.255 -19.669 -25.288 1.00 0.00 H new ATOM 423 N ARG A 31 -7.598 -19.717 -25.133 1.00 0.00 N ATOM 424 CA ARG A 31 -8.077 -19.191 -23.860 1.00 0.00 C ATOM 425 C ARG A 31 -6.982 -19.253 -22.800 1.00 0.00 C ATOM 426 O ARG A 31 -5.827 -19.551 -23.102 1.00 0.00 O ATOM 427 CB ARG A 31 -9.303 -19.977 -23.390 1.00 0.00 C ATOM 428 CG ARG A 31 -10.413 -20.051 -24.425 1.00 0.00 C ATOM 429 CD ARG A 31 -11.017 -21.445 -24.495 1.00 0.00 C ATOM 430 NE ARG A 31 -11.611 -21.719 -25.801 1.00 0.00 N ATOM 431 CZ ARG A 31 -10.906 -22.081 -26.868 1.00 0.00 C ATOM 432 NH1 ARG A 31 -9.590 -22.212 -26.784 1.00 0.00 N ATOM 433 NH2 ARG A 31 -11.519 -22.313 -28.021 1.00 0.00 N ATOM 0 H ARG A 31 -8.029 -20.597 -25.416 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.357 -18.148 -24.007 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.996 -20.989 -23.126 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.694 -19.516 -22.483 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.191 -19.328 -24.178 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.019 -19.774 -25.403 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.245 -22.185 -24.285 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.778 -21.550 -23.722 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.622 -21.628 -25.900 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.115 -22.035 -25.899 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.052 -22.490 -27.605 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.532 -22.214 -28.089 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.978 -22.591 -28.840 1.00 0.00 H new ATOM 447 N MET A 32 -7.354 -18.969 -21.556 1.00 0.00 N ATOM 448 CA MET A 32 -6.403 -18.993 -20.450 1.00 0.00 C ATOM 449 C MET A 32 -6.998 -19.700 -19.236 1.00 0.00 C ATOM 450 O MET A 32 -7.742 -19.101 -18.459 1.00 0.00 O ATOM 451 CB MET A 32 -5.991 -17.568 -20.073 1.00 0.00 C ATOM 452 CG MET A 32 -5.179 -17.490 -18.791 1.00 0.00 C ATOM 453 SD MET A 32 -3.444 -17.915 -19.039 1.00 0.00 S ATOM 454 CE MET A 32 -2.825 -16.399 -19.765 1.00 0.00 C ATOM 0 H MET A 32 -8.306 -18.720 -21.289 1.00 0.00 H new ATOM 0 HA MET A 32 -5.521 -19.546 -20.774 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.409 -17.139 -20.889 1.00 0.00 H new ATOM 0 HB3 MET A 32 -6.887 -16.956 -19.964 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.247 -16.481 -18.384 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.611 -18.163 -18.050 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.178 -16.638 -20.609 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.662 -15.792 -20.109 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.257 -15.844 -19.019 1.00 0.00 H new ATOM 464 N PHE A 33 -6.667 -20.977 -19.080 1.00 0.00 N ATOM 465 CA PHE A 33 -7.169 -21.766 -17.961 1.00 0.00 C ATOM 466 C PHE A 33 -7.015 -21.007 -16.647 1.00 0.00 C ATOM 467 O PHE A 33 -5.945 -20.477 -16.345 1.00 0.00 O ATOM 468 CB PHE A 33 -6.431 -23.104 -17.881 1.00 0.00 C ATOM 469 CG PHE A 33 -6.496 -23.743 -16.523 1.00 0.00 C ATOM 470 CD1 PHE A 33 -7.539 -24.592 -16.191 1.00 0.00 C ATOM 471 CD2 PHE A 33 -5.513 -23.496 -15.578 1.00 0.00 C ATOM 472 CE1 PHE A 33 -7.602 -25.181 -14.943 1.00 0.00 C ATOM 473 CE2 PHE A 33 -5.569 -24.082 -14.328 1.00 0.00 C ATOM 474 CZ PHE A 33 -6.615 -24.926 -14.010 1.00 0.00 C ATOM 0 H PHE A 33 -6.053 -21.488 -19.714 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.230 -21.954 -18.128 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.854 -23.788 -18.616 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.386 -22.951 -18.152 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.312 -24.796 -16.917 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.693 -22.837 -15.822 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.422 -25.840 -14.697 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.796 -23.880 -13.601 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.661 -25.386 -13.034 1.00 0.00 H new ATOM 484 N PHE A 34 -8.091 -20.957 -15.869 1.00 0.00 N ATOM 485 CA PHE A 34 -8.077 -20.261 -14.588 1.00 0.00 C ATOM 486 C PHE A 34 -8.768 -21.092 -13.510 1.00 0.00 C ATOM 487 O PHE A 34 -9.726 -21.816 -13.787 1.00 0.00 O ATOM 488 CB PHE A 34 -8.761 -18.899 -14.715 1.00 0.00 C ATOM 489 CG PHE A 34 -10.258 -18.986 -14.800 1.00 0.00 C ATOM 490 CD1 PHE A 34 -11.023 -19.135 -13.654 1.00 0.00 C ATOM 491 CD2 PHE A 34 -10.901 -18.919 -16.026 1.00 0.00 C ATOM 492 CE1 PHE A 34 -12.401 -19.215 -13.729 1.00 0.00 C ATOM 493 CE2 PHE A 34 -12.279 -18.998 -16.106 1.00 0.00 C ATOM 494 CZ PHE A 34 -13.029 -19.147 -14.957 1.00 0.00 C ATOM 0 H PHE A 34 -8.984 -21.390 -16.103 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.038 -20.111 -14.296 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.489 -18.283 -13.858 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.383 -18.393 -15.604 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.537 -19.189 -12.691 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.319 -18.804 -16.929 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.986 -19.331 -12.828 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.768 -18.943 -17.067 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.105 -19.210 -15.018 1.00 0.00 H new ATOM 504 N HIS A 35 -8.276 -20.982 -12.280 1.00 0.00 N ATOM 505 CA HIS A 35 -8.846 -21.722 -11.160 1.00 0.00 C ATOM 506 C HIS A 35 -9.823 -20.852 -10.375 1.00 0.00 C ATOM 507 O HIS A 35 -9.728 -19.625 -10.391 1.00 0.00 O ATOM 508 CB HIS A 35 -7.737 -22.225 -10.236 1.00 0.00 C ATOM 509 CG HIS A 35 -7.385 -23.665 -10.452 1.00 0.00 C ATOM 510 ND1 HIS A 35 -6.097 -24.148 -10.353 1.00 0.00 N ATOM 511 CD2 HIS A 35 -8.162 -24.730 -10.761 1.00 0.00 C ATOM 512 CE1 HIS A 35 -6.097 -25.447 -10.594 1.00 0.00 C ATOM 513 NE2 HIS A 35 -7.338 -25.825 -10.844 1.00 0.00 N ATOM 0 H HIS A 35 -7.484 -20.388 -12.034 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.390 -22.577 -11.561 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.846 -21.615 -10.386 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.048 -22.087 -9.200 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.231 -24.720 -10.914 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.230 -26.091 -10.588 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.636 -26.776 -11.063 1.00 0.00 H new ATOM 521 N PHE A 36 -10.762 -21.496 -9.689 1.00 0.00 N ATOM 522 CA PHE A 36 -11.757 -20.781 -8.898 1.00 0.00 C ATOM 523 C PHE A 36 -11.182 -20.364 -7.548 1.00 0.00 C ATOM 524 O PHE A 36 -11.841 -20.489 -6.515 1.00 0.00 O ATOM 525 CB PHE A 36 -12.997 -21.653 -8.691 1.00 0.00 C ATOM 526 CG PHE A 36 -14.040 -21.474 -9.756 1.00 0.00 C ATOM 527 CD1 PHE A 36 -13.967 -22.187 -10.942 1.00 0.00 C ATOM 528 CD2 PHE A 36 -15.095 -20.594 -9.572 1.00 0.00 C ATOM 529 CE1 PHE A 36 -14.925 -22.024 -11.925 1.00 0.00 C ATOM 530 CE2 PHE A 36 -16.056 -20.428 -10.550 1.00 0.00 C ATOM 531 CZ PHE A 36 -15.972 -21.145 -11.728 1.00 0.00 C ATOM 0 H PHE A 36 -10.855 -22.512 -9.665 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.041 -19.882 -9.444 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.695 -22.700 -8.662 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.436 -21.421 -7.721 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -13.152 -22.878 -11.100 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -15.166 -20.031 -8.653 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -14.855 -22.583 -12.846 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -16.872 -19.738 -10.394 1.00 0.00 H new ATOM 0 HZ PHE A 36 -16.724 -21.018 -12.493 1.00 0.00 H new ATOM 541 N SER A 37 -9.948 -19.870 -7.563 1.00 0.00 N ATOM 542 CA SER A 37 -9.282 -19.439 -6.340 1.00 0.00 C ATOM 543 C SER A 37 -8.797 -17.998 -6.464 1.00 0.00 C ATOM 544 O SER A 37 -8.648 -17.294 -5.466 1.00 0.00 O ATOM 545 CB SER A 37 -8.102 -20.361 -6.025 1.00 0.00 C ATOM 546 OG SER A 37 -8.545 -21.577 -5.448 1.00 0.00 O ATOM 0 H SER A 37 -9.389 -19.758 -8.409 1.00 0.00 H new ATOM 0 HA SER A 37 -10.003 -19.492 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.546 -20.570 -6.939 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.417 -19.859 -5.342 1.00 0.00 H new ATOM 0 HG SER A 37 -7.773 -22.149 -5.258 1.00 0.00 H new ATOM 552 N GLU A 38 -8.553 -17.566 -7.698 1.00 0.00 N ATOM 553 CA GLU A 38 -8.084 -16.209 -7.953 1.00 0.00 C ATOM 554 C GLU A 38 -9.251 -15.227 -7.981 1.00 0.00 C ATOM 555 O GLU A 38 -9.054 -14.012 -7.945 1.00 0.00 O ATOM 556 CB GLU A 38 -7.320 -16.151 -9.277 1.00 0.00 C ATOM 557 CG GLU A 38 -6.174 -17.144 -9.364 1.00 0.00 C ATOM 558 CD GLU A 38 -6.646 -18.555 -9.659 1.00 0.00 C ATOM 559 OE1 GLU A 38 -7.359 -18.744 -10.667 1.00 0.00 O ATOM 560 OE2 GLU A 38 -6.302 -19.470 -8.882 1.00 0.00 O ATOM 0 H GLU A 38 -8.672 -18.136 -8.536 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.413 -15.924 -7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.015 -16.339 -10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.928 -15.144 -9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.481 -16.826 -10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.621 -17.139 -8.425 1.00 0.00 H new ATOM 567 N ILE A 39 -10.465 -15.761 -8.047 1.00 0.00 N ATOM 568 CA ILE A 39 -11.664 -14.932 -8.081 1.00 0.00 C ATOM 569 C ILE A 39 -11.908 -14.265 -6.731 1.00 0.00 C ATOM 570 O ILE A 39 -12.878 -13.526 -6.559 1.00 0.00 O ATOM 571 CB ILE A 39 -12.907 -15.755 -8.466 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.646 -16.542 -9.752 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.114 -14.845 -8.632 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.703 -17.582 -10.050 1.00 0.00 C ATOM 0 H ILE A 39 -10.645 -16.764 -8.078 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.497 -14.166 -8.838 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.118 -16.463 -7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.587 -15.846 -10.589 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.676 -17.033 -9.677 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.985 -15.442 -8.904 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.309 -14.325 -7.694 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.914 -14.115 -9.417 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.453 -18.100 -10.976 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.747 -18.301 -9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.672 -17.095 -10.158 1.00 0.00 H new ATOM 586 N LEU A 40 -11.021 -14.529 -5.778 1.00 0.00 N ATOM 587 CA LEU A 40 -11.139 -13.952 -4.443 1.00 0.00 C ATOM 588 C LEU A 40 -11.277 -12.435 -4.516 1.00 0.00 C ATOM 589 O LEU A 40 -11.802 -11.805 -3.597 1.00 0.00 O ATOM 590 CB LEU A 40 -9.921 -14.325 -3.596 1.00 0.00 C ATOM 591 CG LEU A 40 -8.557 -14.130 -4.260 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.205 -12.652 -4.331 1.00 0.00 C ATOM 593 CD2 LEU A 40 -7.482 -14.900 -3.507 1.00 0.00 C ATOM 0 H LEU A 40 -10.213 -15.138 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.037 -14.358 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.945 -13.734 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.014 -15.371 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.610 -14.520 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.231 -12.532 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.961 -12.126 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.170 -12.237 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.518 -14.750 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.430 -14.541 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.727 -15.962 -3.508 1.00 0.00 H new ATOM 605 N ASP A 41 -10.806 -11.855 -5.614 1.00 0.00 N ATOM 606 CA ASP A 41 -10.881 -10.412 -5.808 1.00 0.00 C ATOM 607 C ASP A 41 -12.244 -9.876 -5.384 1.00 0.00 C ATOM 608 O ASP A 41 -12.361 -8.742 -4.922 1.00 0.00 O ATOM 609 CB ASP A 41 -10.612 -10.058 -7.272 1.00 0.00 C ATOM 610 CG ASP A 41 -9.974 -8.692 -7.430 1.00 0.00 C ATOM 611 OD1 ASP A 41 -10.570 -7.701 -6.959 1.00 0.00 O ATOM 612 OD2 ASP A 41 -8.879 -8.614 -8.026 1.00 0.00 O ATOM 0 H ASP A 41 -10.368 -12.362 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.118 -9.947 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.960 -10.813 -7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.550 -10.084 -7.827 1.00 0.00 H new ATOM 617 N GLY A 42 -13.275 -10.700 -5.547 1.00 0.00 N ATOM 618 CA GLY A 42 -14.618 -10.291 -5.177 1.00 0.00 C ATOM 619 C GLY A 42 -15.481 -9.977 -6.383 1.00 0.00 C ATOM 620 O GLY A 42 -15.634 -8.816 -6.760 1.00 0.00 O ATOM 0 H GLY A 42 -13.204 -11.643 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.088 -11.083 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.563 -9.412 -4.535 1.00 0.00 H new ATOM 624 N ASN A 43 -16.045 -11.015 -6.991 1.00 0.00 N ATOM 625 CA ASN A 43 -16.895 -10.845 -8.164 1.00 0.00 C ATOM 626 C ASN A 43 -17.234 -12.194 -8.791 1.00 0.00 C ATOM 627 O ASN A 43 -16.348 -12.918 -9.245 1.00 0.00 O ATOM 628 CB ASN A 43 -16.205 -9.950 -9.195 1.00 0.00 C ATOM 629 CG ASN A 43 -16.722 -8.525 -9.162 1.00 0.00 C ATOM 630 OD1 ASN A 43 -15.820 -7.572 -8.957 1.00 0.00 O flip ATOM 631 ND2 ASN A 43 -17.919 -8.283 -9.320 1.00 0.00 N flip ATOM 0 H ASN A 43 -15.929 -11.983 -6.691 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.822 -10.370 -7.843 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.131 -9.948 -9.010 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.356 -10.365 -10.191 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -18.578 -9.046 -9.475 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -18.252 -7.319 -9.296 1.00 0.00 H new ATOM 638 N GLN A 44 -18.521 -12.524 -8.812 1.00 0.00 N ATOM 639 CA GLN A 44 -18.977 -13.785 -9.384 1.00 0.00 C ATOM 640 C GLN A 44 -18.967 -13.728 -10.908 1.00 0.00 C ATOM 641 O GLN A 44 -19.866 -13.153 -11.524 1.00 0.00 O ATOM 642 CB GLN A 44 -20.383 -14.118 -8.883 1.00 0.00 C ATOM 643 CG GLN A 44 -20.511 -15.523 -8.317 1.00 0.00 C ATOM 644 CD GLN A 44 -21.879 -15.790 -7.721 1.00 0.00 C ATOM 645 OE1 GLN A 44 -22.666 -14.868 -7.507 1.00 0.00 O ATOM 646 NE2 GLN A 44 -22.169 -17.057 -7.449 1.00 0.00 N ATOM 0 H GLN A 44 -19.266 -11.936 -8.440 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.290 -14.569 -9.064 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.665 -13.399 -8.114 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.090 -14.001 -9.705 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.315 -16.248 -9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -19.750 -15.673 -7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -21.486 -17.789 -7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.075 -17.298 -7.046 1.00 0.00 H new ATOM 655 N LEU A 45 -17.946 -14.326 -11.511 1.00 0.00 N ATOM 656 CA LEU A 45 -17.818 -14.343 -12.964 1.00 0.00 C ATOM 657 C LEU A 45 -19.099 -14.853 -13.617 1.00 0.00 C ATOM 658 O LEU A 45 -19.910 -15.524 -12.977 1.00 0.00 O ATOM 659 CB LEU A 45 -16.636 -15.219 -13.382 1.00 0.00 C ATOM 660 CG LEU A 45 -15.294 -14.894 -12.724 1.00 0.00 C ATOM 661 CD1 LEU A 45 -14.241 -15.915 -13.126 1.00 0.00 C ATOM 662 CD2 LEU A 45 -14.845 -13.488 -13.094 1.00 0.00 C ATOM 0 H LEU A 45 -17.194 -14.806 -11.016 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.642 -13.321 -13.300 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.884 -16.258 -13.162 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.516 -15.142 -14.463 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.421 -14.940 -11.642 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.293 -15.667 -12.648 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.558 -16.909 -12.810 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -14.116 -15.902 -14.209 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.889 -13.274 -12.617 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -14.735 -13.414 -14.176 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -15.589 -12.767 -12.755 1.00 0.00 H new ATOM 674 N HIS A 46 -19.274 -14.533 -14.895 1.00 0.00 N ATOM 675 CA HIS A 46 -20.455 -14.961 -15.636 1.00 0.00 C ATOM 676 C HIS A 46 -20.094 -15.319 -17.075 1.00 0.00 C ATOM 677 O HIS A 46 -19.146 -14.774 -17.641 1.00 0.00 O ATOM 678 CB HIS A 46 -21.517 -13.861 -15.624 1.00 0.00 C ATOM 679 CG HIS A 46 -22.786 -14.262 -14.936 1.00 0.00 C ATOM 680 ND1 HIS A 46 -23.050 -13.970 -13.615 1.00 0.00 N ATOM 681 CD2 HIS A 46 -23.868 -14.934 -15.395 1.00 0.00 C ATOM 682 CE1 HIS A 46 -24.239 -14.447 -13.290 1.00 0.00 C ATOM 683 NE2 HIS A 46 -24.756 -15.036 -14.353 1.00 0.00 N ATOM 0 H HIS A 46 -18.613 -13.979 -15.439 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.857 -15.849 -15.149 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.109 -12.979 -15.131 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.745 -13.576 -16.651 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -24.007 -15.318 -16.395 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -24.708 -14.368 -12.320 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -25.667 -15.493 -14.393 1.00 0.00 H new ATOM 691 N ILE A 47 -20.854 -16.239 -17.659 1.00 0.00 N ATOM 692 CA ILE A 47 -20.614 -16.669 -19.030 1.00 0.00 C ATOM 693 C ILE A 47 -20.441 -15.473 -19.960 1.00 0.00 C ATOM 694 O ILE A 47 -21.404 -14.774 -20.273 1.00 0.00 O ATOM 695 CB ILE A 47 -21.764 -17.550 -19.554 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.870 -18.833 -18.727 1.00 0.00 C ATOM 697 CG2 ILE A 47 -21.553 -17.877 -21.025 1.00 0.00 C ATOM 698 CD1 ILE A 47 -20.639 -19.708 -18.809 1.00 0.00 C ATOM 0 H ILE A 47 -21.641 -16.701 -17.204 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.694 -17.254 -19.020 1.00 0.00 H new ATOM 0 HB ILE A 47 -22.699 -16.998 -19.455 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -22.050 -18.570 -17.685 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.735 -19.404 -19.066 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -22.374 -18.500 -21.381 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -21.522 -16.953 -21.602 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -20.612 -18.413 -21.147 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -20.785 -20.599 -18.199 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -20.469 -20.001 -19.845 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -19.774 -19.155 -18.442 1.00 0.00 H new ATOM 710 N ALA A 48 -19.207 -15.244 -20.398 1.00 0.00 N ATOM 711 CA ALA A 48 -18.909 -14.135 -21.295 1.00 0.00 C ATOM 712 C ALA A 48 -18.878 -12.811 -20.539 1.00 0.00 C ATOM 713 O ALA A 48 -19.689 -11.921 -20.794 1.00 0.00 O ATOM 714 CB ALA A 48 -19.929 -14.078 -22.422 1.00 0.00 C ATOM 0 H ALA A 48 -18.398 -15.812 -20.146 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.921 -14.302 -21.723 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.694 -13.245 -23.084 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.900 -15.010 -22.987 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -20.926 -13.939 -22.004 1.00 0.00 H new ATOM 720 N ASP A 49 -17.938 -12.688 -19.608 1.00 0.00 N ATOM 721 CA ASP A 49 -17.802 -11.472 -18.815 1.00 0.00 C ATOM 722 C ASP A 49 -16.353 -10.995 -18.795 1.00 0.00 C ATOM 723 O ASP A 49 -15.431 -11.791 -18.622 1.00 0.00 O ATOM 724 CB ASP A 49 -18.293 -11.712 -17.386 1.00 0.00 C ATOM 725 CG ASP A 49 -19.762 -11.380 -17.215 1.00 0.00 C ATOM 726 OD1 ASP A 49 -20.592 -11.978 -17.930 1.00 0.00 O ATOM 727 OD2 ASP A 49 -20.082 -10.520 -16.367 1.00 0.00 O ATOM 0 H ASP A 49 -17.259 -13.416 -19.384 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.414 -10.697 -19.276 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.126 -12.755 -17.118 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.704 -11.107 -16.696 1.00 0.00 H new ATOM 732 N GLU A 50 -16.161 -9.692 -18.974 1.00 0.00 N ATOM 733 CA GLU A 50 -14.824 -9.111 -18.979 1.00 0.00 C ATOM 734 C GLU A 50 -14.143 -9.304 -17.627 1.00 0.00 C ATOM 735 O GLU A 50 -14.765 -9.143 -16.577 1.00 0.00 O ATOM 736 CB GLU A 50 -14.893 -7.621 -19.320 1.00 0.00 C ATOM 737 CG GLU A 50 -15.631 -7.326 -20.614 1.00 0.00 C ATOM 738 CD GLU A 50 -16.586 -6.155 -20.488 1.00 0.00 C ATOM 739 OE1 GLU A 50 -17.233 -6.030 -19.426 1.00 0.00 O ATOM 740 OE2 GLU A 50 -16.688 -5.365 -21.449 1.00 0.00 O ATOM 0 H GLU A 50 -16.914 -9.019 -19.117 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.235 -9.623 -19.740 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.384 -7.092 -18.503 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.880 -7.226 -19.392 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.907 -7.116 -21.401 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.187 -8.212 -20.921 1.00 0.00 H new ATOM 747 N VAL A 51 -12.860 -9.650 -17.662 1.00 0.00 N ATOM 748 CA VAL A 51 -12.092 -9.864 -16.441 1.00 0.00 C ATOM 749 C VAL A 51 -10.697 -9.262 -16.556 1.00 0.00 C ATOM 750 O VAL A 51 -10.180 -9.075 -17.657 1.00 0.00 O ATOM 751 CB VAL A 51 -11.967 -11.364 -16.113 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.342 -11.986 -15.921 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.195 -12.086 -17.207 1.00 0.00 C ATOM 0 H VAL A 51 -12.330 -9.788 -18.523 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.633 -9.367 -15.636 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.414 -11.468 -15.180 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.233 -13.046 -15.690 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.856 -11.487 -15.100 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.924 -11.872 -16.836 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.116 -13.144 -16.959 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.719 -11.974 -18.156 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.196 -11.658 -17.291 1.00 0.00 H new ATOM 763 N GLU A 52 -10.091 -8.962 -15.411 1.00 0.00 N ATOM 764 CA GLU A 52 -8.754 -8.380 -15.384 1.00 0.00 C ATOM 765 C GLU A 52 -7.775 -9.300 -14.660 1.00 0.00 C ATOM 766 O GLU A 52 -8.034 -9.743 -13.541 1.00 0.00 O ATOM 767 CB GLU A 52 -8.784 -7.011 -14.702 1.00 0.00 C ATOM 768 CG GLU A 52 -7.418 -6.352 -14.602 1.00 0.00 C ATOM 769 CD GLU A 52 -7.490 -4.841 -14.711 1.00 0.00 C ATOM 770 OE1 GLU A 52 -7.751 -4.183 -13.682 1.00 0.00 O ATOM 771 OE2 GLU A 52 -7.286 -4.317 -15.826 1.00 0.00 O ATOM 0 H GLU A 52 -10.504 -9.112 -14.491 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.417 -8.258 -16.413 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.456 -6.354 -15.254 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.199 -7.122 -13.700 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.957 -6.622 -13.652 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.773 -6.739 -15.391 1.00 0.00 H new ATOM 778 N PHE A 53 -6.650 -9.583 -15.307 1.00 0.00 N ATOM 779 CA PHE A 53 -5.632 -10.451 -14.727 1.00 0.00 C ATOM 780 C PHE A 53 -4.237 -10.032 -15.180 1.00 0.00 C ATOM 781 O PHE A 53 -4.074 -9.398 -16.223 1.00 0.00 O ATOM 782 CB PHE A 53 -5.891 -11.908 -15.117 1.00 0.00 C ATOM 783 CG PHE A 53 -6.350 -12.075 -16.537 1.00 0.00 C ATOM 784 CD1 PHE A 53 -5.551 -11.661 -17.591 1.00 0.00 C ATOM 785 CD2 PHE A 53 -7.581 -12.646 -16.819 1.00 0.00 C ATOM 786 CE1 PHE A 53 -5.971 -11.814 -18.899 1.00 0.00 C ATOM 787 CE2 PHE A 53 -8.006 -12.802 -18.125 1.00 0.00 C ATOM 788 CZ PHE A 53 -7.200 -12.384 -19.166 1.00 0.00 C ATOM 0 H PHE A 53 -6.420 -9.224 -16.234 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.686 -10.357 -13.642 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.977 -12.484 -14.969 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.643 -12.327 -14.449 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.589 -11.214 -17.388 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.216 -12.973 -16.009 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.338 -11.488 -19.711 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.967 -13.250 -18.331 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.531 -12.503 -20.187 1.00 0.00 H new ATOM 798 N THR A 54 -3.231 -10.390 -14.387 1.00 0.00 N ATOM 799 CA THR A 54 -1.850 -10.050 -14.705 1.00 0.00 C ATOM 800 C THR A 54 -1.343 -10.860 -15.892 1.00 0.00 C ATOM 801 O THR A 54 -0.917 -10.300 -16.902 1.00 0.00 O ATOM 802 CB THR A 54 -0.921 -10.290 -13.499 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.440 -9.628 -12.341 1.00 0.00 O ATOM 804 CG2 THR A 54 0.485 -9.786 -13.790 1.00 0.00 C ATOM 0 H THR A 54 -3.347 -10.915 -13.520 1.00 0.00 H new ATOM 0 HA THR A 54 -1.836 -8.990 -14.960 1.00 0.00 H new ATOM 0 HB THR A 54 -0.874 -11.363 -13.313 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.704 -9.214 -11.844 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.123 -9.966 -12.924 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.889 -10.313 -14.654 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.452 -8.717 -14.000 1.00 0.00 H new ATOM 968 N ASN A 65 1.717 -19.183 -18.633 1.00 0.00 N ATOM 969 CA ASN A 65 1.110 -18.002 -18.030 1.00 0.00 C ATOM 970 C ASN A 65 -0.152 -18.373 -17.257 1.00 0.00 C ATOM 971 O ASN A 65 -0.899 -19.265 -17.658 1.00 0.00 O ATOM 972 CB ASN A 65 0.775 -16.968 -19.108 1.00 0.00 C ATOM 973 CG ASN A 65 2.007 -16.491 -19.853 1.00 0.00 C ATOM 974 OD1 ASN A 65 3.134 -16.683 -19.399 1.00 0.00 O ATOM 975 ND2 ASN A 65 1.795 -15.864 -21.005 1.00 0.00 N ATOM 0 HA ASN A 65 1.829 -17.571 -17.333 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.070 -17.402 -19.817 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.279 -16.114 -18.647 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.585 -15.520 -21.551 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.843 -15.727 -21.343 1.00 0.00 H new ATOM 982 N HIS A 66 -0.382 -17.681 -16.145 1.00 0.00 N ATOM 983 CA HIS A 66 -1.554 -17.937 -15.315 1.00 0.00 C ATOM 984 C HIS A 66 -2.232 -16.630 -14.914 1.00 0.00 C ATOM 985 O HIS A 66 -1.572 -15.607 -14.737 1.00 0.00 O ATOM 986 CB HIS A 66 -1.158 -18.724 -14.066 1.00 0.00 C ATOM 987 CG HIS A 66 -0.485 -17.889 -13.020 1.00 0.00 C ATOM 988 ND1 HIS A 66 0.314 -16.803 -13.134 1.00 0.00 N flip ATOM 989 CD2 HIS A 66 -0.600 -18.139 -11.669 1.00 0.00 C flip ATOM 990 CE1 HIS A 66 0.664 -16.420 -11.863 1.00 0.00 C flip ATOM 991 NE2 HIS A 66 0.100 -17.242 -10.997 1.00 0.00 N flip ATOM 0 H HIS A 66 0.227 -16.940 -15.798 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.260 -18.528 -15.899 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.050 -19.181 -13.636 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.491 -19.537 -14.355 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -1.172 -18.942 -11.229 1.00 0.00 H new ATOM 0 HE1 HIS A 66 1.298 -15.582 -11.612 1.00 0.00 H new ATOM 0 HE2 HIS A 66 0.189 -17.193 -9.982 1.00 0.00 H new ATOM 999 N ALA A 67 -3.553 -16.673 -14.774 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.319 -15.493 -14.393 1.00 0.00 C ATOM 1001 C ALA A 67 -4.458 -15.394 -12.878 1.00 0.00 C ATOM 1002 O ALA A 67 -5.034 -16.276 -12.239 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.691 -15.520 -15.050 1.00 0.00 C ATOM 0 H ALA A 67 -4.115 -17.512 -14.919 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.779 -14.612 -14.740 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.252 -14.633 -14.757 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.575 -15.534 -16.134 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.230 -16.412 -14.731 1.00 0.00 H new ATOM 1009 N ILE A 68 -3.927 -14.318 -12.309 1.00 0.00 N ATOM 1010 CA ILE A 68 -3.993 -14.105 -10.868 1.00 0.00 C ATOM 1011 C ILE A 68 -4.941 -12.961 -10.524 1.00 0.00 C ATOM 1012 O ILE A 68 -5.249 -12.121 -11.370 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.603 -13.798 -10.280 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -2.035 -12.519 -10.897 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.660 -14.969 -10.513 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -1.296 -11.647 -9.906 1.00 0.00 C ATOM 0 H ILE A 68 -3.446 -13.580 -12.823 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.368 -15.030 -10.430 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.705 -13.646 -9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.358 -12.786 -11.709 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.850 -11.944 -11.337 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.682 -14.738 -10.092 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.061 -15.861 -10.031 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.561 -15.149 -11.583 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.921 -10.758 -10.413 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.974 -11.350 -9.106 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.460 -12.204 -9.484 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.400 -12.935 -9.277 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.313 -11.893 -8.821 1.00 0.00 C ATOM 1030 C ARG A 69 -7.287 -11.501 -9.928 1.00 0.00 C ATOM 1031 O ARG A 69 -7.131 -10.460 -10.566 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.528 -10.664 -8.358 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.504 -10.967 -7.277 1.00 0.00 C ATOM 1034 CD ARG A 69 -5.073 -10.727 -5.888 1.00 0.00 C ATOM 1035 NE ARG A 69 -5.478 -9.337 -5.694 1.00 0.00 N ATOM 1036 CZ ARG A 69 -4.624 -8.353 -5.436 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -3.326 -8.604 -5.342 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -5.069 -7.113 -5.273 1.00 0.00 N ATOM 0 H ARG A 69 -5.155 -13.623 -8.565 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.885 -12.288 -7.981 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.019 -10.224 -9.216 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.228 -9.916 -7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.178 -12.003 -7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.623 -10.342 -7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.931 -11.380 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.327 -10.995 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.470 -9.110 -5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.980 -9.555 -5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.673 -7.846 -5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.067 -6.916 -5.346 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.413 -6.358 -5.075 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.292 -12.342 -10.149 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.291 -12.083 -11.178 1.00 0.00 C ATOM 1054 C ILE A 70 -10.271 -11.002 -10.733 1.00 0.00 C ATOM 1055 O ILE A 70 -10.892 -11.108 -9.676 1.00 0.00 O ATOM 1056 CB ILE A 70 -10.079 -13.359 -11.532 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -9.165 -14.373 -12.223 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -11.267 -13.018 -12.419 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.752 -15.765 -12.294 1.00 0.00 C ATOM 0 H ILE A 70 -8.436 -13.208 -9.629 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.752 -11.741 -12.062 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.454 -13.805 -10.611 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.950 -14.026 -13.234 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.215 -14.415 -11.691 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.814 -13.929 -12.661 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.927 -12.327 -11.894 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.913 -12.553 -13.339 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.050 -16.431 -12.796 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.942 -16.132 -11.285 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.688 -15.737 -12.852 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.405 -9.962 -11.549 1.00 0.00 N ATOM 1072 CA LYS A 71 -11.312 -8.861 -11.243 1.00 0.00 C ATOM 1073 C LYS A 71 -12.265 -8.602 -12.405 1.00 0.00 C ATOM 1074 O LYS A 71 -11.846 -8.185 -13.484 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.517 -7.592 -10.929 1.00 0.00 C ATOM 1076 CG LYS A 71 -11.373 -6.453 -10.401 1.00 0.00 C ATOM 1077 CD LYS A 71 -10.716 -5.104 -10.642 1.00 0.00 C ATOM 1078 CE LYS A 71 -11.581 -3.964 -10.128 1.00 0.00 C ATOM 1079 NZ LYS A 71 -10.782 -2.956 -9.377 1.00 0.00 N ATOM 0 H LYS A 71 -9.897 -9.858 -12.427 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.901 -9.140 -10.369 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.747 -7.828 -10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.004 -7.262 -11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.349 -6.475 -10.886 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.544 -6.590 -9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.745 -5.077 -10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.534 -4.972 -11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.080 -3.480 -10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.362 -4.364 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.408 -2.195 -9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.326 -3.412 -8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.053 -2.556 -10.001 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.550 -8.851 -12.176 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.565 -8.643 -13.202 1.00 0.00 C ATOM 1095 C LYS A 72 -14.655 -7.169 -13.587 1.00 0.00 C ATOM 1096 O LYS A 72 -14.851 -6.305 -12.732 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.927 -9.136 -12.710 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.861 -9.562 -13.829 1.00 0.00 C ATOM 1099 CD LYS A 72 -17.744 -10.724 -13.407 1.00 0.00 C ATOM 1100 CE LYS A 72 -18.982 -10.242 -12.666 1.00 0.00 C ATOM 1101 NZ LYS A 72 -20.182 -10.220 -13.547 1.00 0.00 N ATOM 0 H LYS A 72 -13.913 -9.197 -11.288 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.276 -9.215 -14.084 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.777 -9.977 -12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.404 -8.344 -12.132 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.485 -8.718 -14.124 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.276 -9.847 -14.703 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.044 -11.293 -14.287 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.176 -11.401 -12.768 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.170 -10.893 -11.812 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.803 -9.242 -12.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.681 -9.315 -13.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.887 -10.328 -14.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.817 -11.002 -13.288 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.512 -6.890 -14.878 1.00 0.00 N ATOM 1116 CA LEU A 73 -14.579 -5.520 -15.376 1.00 0.00 C ATOM 1117 C LEU A 73 -15.952 -5.224 -15.972 1.00 0.00 C ATOM 1118 O LEU A 73 -16.629 -6.105 -16.501 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.493 -5.285 -16.427 1.00 0.00 C ATOM 1120 CG LEU A 73 -12.093 -5.785 -16.068 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.387 -6.326 -17.302 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -11.276 -4.670 -15.431 1.00 0.00 C ATOM 0 H LEU A 73 -14.349 -7.593 -15.599 1.00 0.00 H new ATOM 0 HA LEU A 73 -14.415 -4.845 -14.536 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.803 -5.767 -17.354 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.435 -4.215 -16.628 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.191 -6.595 -15.346 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.392 -6.677 -17.027 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.962 -7.154 -17.717 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.300 -5.535 -18.047 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.283 -5.043 -15.182 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.186 -3.839 -16.131 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.773 -4.328 -14.523 1.00 0.00 H new ATOM 1134 N PRO A 74 -16.372 -3.953 -15.886 1.00 0.00 N ATOM 1135 CA PRO A 74 -17.666 -3.511 -16.414 1.00 0.00 C ATOM 1136 C PRO A 74 -17.706 -3.524 -17.938 1.00 0.00 C ATOM 1137 O PRO A 74 -16.666 -3.516 -18.597 1.00 0.00 O ATOM 1138 CB PRO A 74 -17.792 -2.078 -15.889 1.00 0.00 C ATOM 1139 CG PRO A 74 -16.388 -1.627 -15.679 1.00 0.00 C ATOM 1140 CD PRO A 74 -15.617 -2.850 -15.269 1.00 0.00 C ATOM 0 HA PRO A 74 -18.478 -4.168 -16.103 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -18.311 -1.439 -16.604 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.362 -2.045 -14.960 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.977 -1.194 -16.591 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -16.337 -0.857 -14.909 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.589 -2.816 -15.629 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.572 -2.951 -14.185 1.00 0.00 H new ATOM 1148 N LYS A 75 -18.913 -3.546 -18.494 1.00 0.00 N ATOM 1149 CA LYS A 75 -19.089 -3.559 -19.941 1.00 0.00 C ATOM 1150 C LYS A 75 -18.716 -2.210 -20.547 1.00 0.00 C ATOM 1151 O LYS A 75 -19.322 -1.187 -20.231 1.00 0.00 O ATOM 1152 CB LYS A 75 -20.537 -3.906 -20.296 1.00 0.00 C ATOM 1153 CG LYS A 75 -20.690 -4.554 -21.661 1.00 0.00 C ATOM 1154 CD LYS A 75 -22.016 -5.286 -21.786 1.00 0.00 C ATOM 1155 CE LYS A 75 -22.847 -4.741 -22.937 1.00 0.00 C ATOM 1156 NZ LYS A 75 -23.512 -3.457 -22.581 1.00 0.00 N ATOM 0 H LYS A 75 -19.784 -3.555 -17.964 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.427 -4.319 -20.355 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -20.937 -4.578 -19.537 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -21.138 -2.997 -20.265 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.620 -3.791 -22.437 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -19.870 -5.253 -21.827 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.833 -6.349 -21.940 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -22.575 -5.190 -20.855 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -22.208 -4.590 -23.807 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -23.602 -5.475 -23.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -24.069 -3.118 -23.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -24.141 -3.606 -21.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.791 -2.749 -22.336 1.00 0.00 H new ATOM 1170 N GLY A 76 -17.714 -2.216 -21.422 1.00 0.00 N ATOM 1171 CA GLY A 76 -17.279 -0.987 -22.059 1.00 0.00 C ATOM 1172 C GLY A 76 -15.769 -0.849 -22.083 1.00 0.00 C ATOM 1173 O GLY A 76 -15.219 -0.089 -22.881 1.00 0.00 O ATOM 0 H GLY A 76 -17.197 -3.050 -21.700 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.660 -0.956 -23.080 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.710 -0.136 -21.532 1.00 0.00 H new ATOM 1177 N THR A 77 -15.096 -1.585 -21.204 1.00 0.00 N ATOM 1178 CA THR A 77 -13.641 -1.540 -21.125 1.00 0.00 C ATOM 1179 C THR A 77 -13.003 -2.221 -22.330 1.00 0.00 C ATOM 1180 O THR A 77 -12.535 -1.558 -23.256 1.00 0.00 O ATOM 1181 CB THR A 77 -13.127 -2.212 -19.838 1.00 0.00 C ATOM 1182 OG1 THR A 77 -13.577 -1.483 -18.691 1.00 0.00 O ATOM 1183 CG2 THR A 77 -11.608 -2.285 -19.835 1.00 0.00 C ATOM 0 H THR A 77 -15.535 -2.219 -20.537 1.00 0.00 H new ATOM 0 HA THR A 77 -13.358 -0.487 -21.114 1.00 0.00 H new ATOM 0 HB THR A 77 -13.524 -3.227 -19.801 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.247 -1.918 -17.877 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.269 -2.763 -18.916 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.270 -2.866 -20.693 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.195 -1.278 -19.894 1.00 0.00 H new ATOM 1191 N VAL A 78 -12.989 -3.550 -22.314 1.00 0.00 N ATOM 1192 CA VAL A 78 -12.410 -4.322 -23.407 1.00 0.00 C ATOM 1193 C VAL A 78 -13.474 -4.712 -24.428 1.00 0.00 C ATOM 1194 O VAL A 78 -14.671 -4.625 -24.157 1.00 0.00 O ATOM 1195 CB VAL A 78 -11.719 -5.598 -22.890 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -12.735 -6.535 -22.254 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -10.973 -6.294 -24.017 1.00 0.00 C ATOM 0 H VAL A 78 -13.372 -4.115 -21.556 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.667 -3.684 -23.885 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.994 -5.314 -22.127 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.229 -7.431 -21.895 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.220 -6.032 -21.417 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.485 -6.814 -22.994 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.491 -7.193 -23.633 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.676 -6.567 -24.804 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.217 -5.622 -24.422 1.00 0.00 H new