USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 678 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot 165:sc= 0.862 USER MOD Set 1.2: A 65 SER OG : rot 64:sc= 1.68 USER MOD Single : A 0 HIS : no HD1:sc= -0.0856 X(o=-0.086,f=-0.086) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00139 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -141:sc= 0.0388 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 100:sc= -0.179 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -8:sc= 0.894 USER MOD Single : A 37 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.43) USER MOD Single : A 38 ASN : amide:sc= -0.692 K(o=-0.69,f=-0.03) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -20:sc= 0.0655 USER MOD Single : A 43 SER OG : rot 176:sc= 0.89 USER MOD Single : A 58 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.11) USER MOD Single : A 63 SER OG : rot -120:sc= -0.0138 USER MOD Single : A 70 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.27) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 6.249 17.654 8.868 1.00 0.00 N ATOM 2 CA GLY A -2 5.086 16.743 8.798 1.00 0.00 C ATOM 3 C GLY A -2 5.512 15.288 8.934 1.00 0.00 C ATOM 4 O GLY A -2 6.449 15.024 9.674 1.00 0.00 O ATOM 0 H1 GLY A -2 5.992 18.504 9.409 1.00 0.00 H new ATOM 0 H2 GLY A -2 7.041 17.170 9.338 1.00 0.00 H new ATOM 0 H3 GLY A -2 6.533 17.929 7.906 1.00 0.00 H new ATOM 0 HA2 GLY A -2 4.379 16.992 9.589 1.00 0.00 H new ATOM 0 HA3 GLY A -2 4.567 16.885 7.850 1.00 0.00 H new ATOM 10 N SER A -1 4.796 14.358 8.282 1.00 0.00 N ATOM 11 CA SER A -1 4.643 12.966 8.751 1.00 0.00 C ATOM 12 C SER A -1 4.381 11.941 7.624 1.00 0.00 C ATOM 13 O SER A -1 3.729 12.282 6.638 1.00 0.00 O ATOM 14 CB SER A -1 3.452 12.962 9.723 1.00 0.00 C ATOM 15 OG SER A -1 2.333 13.636 9.172 1.00 0.00 O ATOM 0 H SER A -1 4.303 14.549 7.410 1.00 0.00 H new ATOM 0 HA SER A -1 5.581 12.657 9.213 1.00 0.00 H new ATOM 0 HB2 SER A -1 3.178 11.934 9.962 1.00 0.00 H new ATOM 0 HB3 SER A -1 3.742 13.440 10.659 1.00 0.00 H new ATOM 0 HG SER A -1 1.591 13.616 9.812 1.00 0.00 H new ATOM 21 N HIS A 0 4.818 10.676 7.805 1.00 0.00 N ATOM 22 CA HIS A 0 4.570 9.484 6.952 1.00 0.00 C ATOM 23 C HIS A 0 4.721 8.160 7.759 1.00 0.00 C ATOM 24 O HIS A 0 5.021 8.224 8.949 1.00 0.00 O ATOM 25 CB HIS A 0 5.522 9.502 5.732 1.00 0.00 C ATOM 26 CG HIS A 0 5.179 10.521 4.667 1.00 0.00 C ATOM 27 ND1 HIS A 0 3.980 10.611 3.981 1.00 0.00 N ATOM 28 CD2 HIS A 0 6.007 11.504 4.198 1.00 0.00 C ATOM 29 CE1 HIS A 0 4.077 11.637 3.113 1.00 0.00 C ATOM 30 NE2 HIS A 0 5.301 12.193 3.225 1.00 0.00 N ATOM 0 H HIS A 0 5.397 10.439 8.610 1.00 0.00 H new ATOM 0 HA HIS A 0 3.540 9.527 6.597 1.00 0.00 H new ATOM 0 HB2 HIS A 0 6.536 9.694 6.084 1.00 0.00 H new ATOM 0 HB3 HIS A 0 5.525 8.511 5.278 1.00 0.00 H new ATOM 0 HD2 HIS A 0 7.017 11.704 4.524 1.00 0.00 H new ATOM 0 HE1 HIS A 0 3.300 11.962 2.437 1.00 0.00 H new ATOM 0 HE2 HIS A 0 5.648 12.986 2.685 1.00 0.00 H new ATOM 39 N MET A 1 4.496 6.979 7.141 1.00 0.00 N ATOM 40 CA MET A 1 4.561 5.622 7.747 1.00 0.00 C ATOM 41 C MET A 1 4.767 4.496 6.692 1.00 0.00 C ATOM 42 O MET A 1 4.704 4.777 5.495 1.00 0.00 O ATOM 43 CB MET A 1 3.260 5.367 8.543 1.00 0.00 C ATOM 44 CG MET A 1 3.497 5.385 10.056 1.00 0.00 C ATOM 45 SD MET A 1 1.971 5.199 11.012 1.00 0.00 S ATOM 46 CE MET A 1 2.661 5.295 12.685 1.00 0.00 C ATOM 0 H MET A 1 4.250 6.940 6.152 1.00 0.00 H new ATOM 0 HA MET A 1 5.429 5.594 8.405 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.522 6.126 8.283 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.842 4.403 8.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.185 4.582 10.320 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.980 6.322 10.332 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.858 5.198 13.416 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.381 4.489 12.828 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.159 6.255 12.818 1.00 0.00 H new ATOM 56 N THR A 2 4.979 3.233 7.125 1.00 0.00 N ATOM 57 CA THR A 2 5.222 2.020 6.291 1.00 0.00 C ATOM 58 C THR A 2 4.670 0.732 6.945 1.00 0.00 C ATOM 59 O THR A 2 4.807 0.608 8.162 1.00 0.00 O ATOM 60 CB THR A 2 6.736 1.769 6.130 1.00 0.00 C ATOM 61 OG1 THR A 2 7.326 1.581 7.401 1.00 0.00 O ATOM 62 CG2 THR A 2 7.501 2.885 5.420 1.00 0.00 C ATOM 0 H THR A 2 4.987 3.013 8.121 1.00 0.00 H new ATOM 0 HA THR A 2 4.723 2.217 5.342 1.00 0.00 H new ATOM 0 HB THR A 2 6.810 0.882 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.287 1.420 7.295 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.556 2.618 5.354 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.098 3.021 4.416 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.396 3.813 5.982 1.00 0.00 H new ATOM 70 N LEU A 3 4.164 -0.259 6.178 1.00 0.00 N ATOM 71 CA LEU A 3 3.602 -1.533 6.698 1.00 0.00 C ATOM 72 C LEU A 3 3.924 -2.741 5.777 1.00 0.00 C ATOM 73 O LEU A 3 3.910 -2.577 4.565 1.00 0.00 O ATOM 74 CB LEU A 3 2.063 -1.411 6.838 1.00 0.00 C ATOM 75 CG LEU A 3 1.541 -0.186 7.626 1.00 0.00 C ATOM 76 CD1 LEU A 3 1.238 1.019 6.721 1.00 0.00 C ATOM 77 CD2 LEU A 3 0.240 -0.518 8.366 1.00 0.00 C ATOM 0 H LEU A 3 4.133 -0.198 5.160 1.00 0.00 H new ATOM 0 HA LEU A 3 4.065 -1.713 7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.630 -1.385 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.691 -2.314 7.323 1.00 0.00 H new ATOM 0 HG LEU A 3 2.341 0.067 8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.875 1.848 7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.147 1.321 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.477 0.744 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.103 0.361 8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.521 -0.819 7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.418 -1.333 9.068 1.00 0.00 H new ATOM 89 N ARG A 4 4.155 -3.963 6.311 1.00 0.00 N ATOM 90 CA ARG A 4 4.497 -5.184 5.524 1.00 0.00 C ATOM 91 C ARG A 4 3.335 -6.195 5.420 1.00 0.00 C ATOM 92 O ARG A 4 2.315 -6.034 6.086 1.00 0.00 O ATOM 93 CB ARG A 4 5.783 -5.844 6.081 1.00 0.00 C ATOM 94 CG ARG A 4 5.645 -6.316 7.539 1.00 0.00 C ATOM 95 CD ARG A 4 6.685 -7.364 7.957 1.00 0.00 C ATOM 96 NE ARG A 4 7.960 -6.789 8.418 1.00 0.00 N ATOM 97 CZ ARG A 4 8.968 -7.481 8.943 1.00 0.00 C ATOM 98 NH1 ARG A 4 9.014 -8.794 8.877 1.00 0.00 N ATOM 99 NH2 ARG A 4 9.951 -6.870 9.556 1.00 0.00 N ATOM 0 H ARG A 4 4.110 -4.137 7.315 1.00 0.00 H new ATOM 0 HA ARG A 4 4.686 -4.856 4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.046 -6.696 5.454 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.606 -5.133 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.729 -5.453 8.199 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.648 -6.731 7.683 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.266 -7.979 8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.880 -8.025 7.112 1.00 0.00 H new ATOM 0 HE ARG A 4 8.080 -5.780 8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.264 -9.308 8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.799 -9.298 9.289 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.949 -5.853 9.635 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.718 -7.411 9.955 1.00 0.00 H new ATOM 113 N ILE A 5 3.485 -7.286 4.644 1.00 0.00 N ATOM 114 CA ILE A 5 2.434 -8.326 4.504 1.00 0.00 C ATOM 115 C ILE A 5 2.059 -8.952 5.855 1.00 0.00 C ATOM 116 O ILE A 5 0.879 -9.081 6.173 1.00 0.00 O ATOM 117 CB ILE A 5 2.806 -9.399 3.441 1.00 0.00 C ATOM 118 CG1 ILE A 5 1.579 -10.207 2.962 1.00 0.00 C ATOM 119 CG2 ILE A 5 3.901 -10.378 3.899 1.00 0.00 C ATOM 120 CD1 ILE A 5 0.485 -9.349 2.312 1.00 0.00 C ATOM 0 H ILE A 5 4.327 -7.475 4.100 1.00 0.00 H new ATOM 0 HA ILE A 5 1.541 -7.821 4.135 1.00 0.00 H new ATOM 0 HB ILE A 5 3.204 -8.817 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.909 -10.960 2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.152 -10.739 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.104 -11.095 3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.811 -9.824 4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.565 -10.910 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.342 -9.988 2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.125 -8.612 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.894 -8.837 1.441 1.00 0.00 H new ATOM 132 N ARG A 6 3.068 -9.223 6.696 1.00 0.00 N ATOM 133 CA ARG A 6 2.959 -9.637 8.103 1.00 0.00 C ATOM 134 C ARG A 6 2.326 -8.574 9.025 1.00 0.00 C ATOM 135 O ARG A 6 2.094 -8.870 10.197 1.00 0.00 O ATOM 136 CB ARG A 6 4.357 -10.051 8.613 1.00 0.00 C ATOM 137 CG ARG A 6 4.550 -11.571 8.711 1.00 0.00 C ATOM 138 CD ARG A 6 5.926 -11.877 9.323 1.00 0.00 C ATOM 139 NE ARG A 6 6.250 -13.317 9.319 1.00 0.00 N ATOM 140 CZ ARG A 6 5.810 -14.261 10.146 1.00 0.00 C ATOM 141 NH1 ARG A 6 4.921 -14.014 11.080 1.00 0.00 N ATOM 142 NH2 ARG A 6 6.266 -15.486 10.045 1.00 0.00 N ATOM 0 H ARG A 6 4.040 -9.155 6.394 1.00 0.00 H new ATOM 0 HA ARG A 6 2.273 -10.484 8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.114 -9.639 7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.522 -9.608 9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.762 -12.009 9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.472 -12.022 7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.693 -11.336 8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.952 -11.507 10.348 1.00 0.00 H new ATOM 0 HE ARG A 6 6.892 -13.627 8.590 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.544 -13.072 11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.607 -14.764 11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.958 -15.715 9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.928 -16.210 10.679 1.00 0.00 H new ATOM 156 N THR A 7 2.052 -7.364 8.530 1.00 0.00 N ATOM 157 CA THR A 7 1.306 -6.296 9.209 1.00 0.00 C ATOM 158 C THR A 7 -0.120 -6.209 8.656 1.00 0.00 C ATOM 159 O THR A 7 -1.056 -6.149 9.449 1.00 0.00 O ATOM 160 CB THR A 7 2.004 -4.930 9.071 1.00 0.00 C ATOM 161 OG1 THR A 7 3.374 -5.011 9.394 1.00 0.00 O ATOM 162 CG2 THR A 7 1.402 -3.890 10.013 1.00 0.00 C ATOM 0 H THR A 7 2.359 -7.087 7.598 1.00 0.00 H new ATOM 0 HA THR A 7 1.271 -6.548 10.269 1.00 0.00 H new ATOM 0 HB THR A 7 1.866 -4.637 8.030 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.786 -4.128 9.294 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.921 -2.940 9.886 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.345 -3.759 9.783 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.510 -4.227 11.044 1.00 0.00 H new ATOM 170 N ILE A 8 -0.305 -6.265 7.325 1.00 0.00 N ATOM 171 CA ILE A 8 -1.640 -6.355 6.707 1.00 0.00 C ATOM 172 C ILE A 8 -2.374 -7.600 7.219 1.00 0.00 C ATOM 173 O ILE A 8 -3.470 -7.496 7.766 1.00 0.00 O ATOM 174 CB ILE A 8 -1.593 -6.355 5.158 1.00 0.00 C ATOM 175 CG1 ILE A 8 -0.809 -5.141 4.616 1.00 0.00 C ATOM 176 CG2 ILE A 8 -3.036 -6.350 4.612 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.893 -4.949 3.095 1.00 0.00 C ATOM 0 H ILE A 8 0.461 -6.249 6.652 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.186 -5.459 7.001 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.073 -7.253 4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.180 -4.239 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.239 -5.247 4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.013 -6.350 3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.561 -7.238 4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.555 -5.458 4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.312 -4.073 2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.493 -5.831 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.934 -4.807 2.803 1.00 0.00 H new ATOM 189 N ALA A 9 -1.768 -8.783 7.067 1.00 0.00 N ATOM 190 CA ALA A 9 -2.369 -10.047 7.476 1.00 0.00 C ATOM 191 C ALA A 9 -2.723 -10.070 8.970 1.00 0.00 C ATOM 192 O ALA A 9 -3.781 -10.579 9.341 1.00 0.00 O ATOM 193 CB ALA A 9 -1.409 -11.178 7.112 1.00 0.00 C ATOM 0 H ALA A 9 -0.841 -8.885 6.654 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.313 -10.177 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.842 -12.133 7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.238 -11.178 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.461 -11.031 7.630 1.00 0.00 H new ATOM 199 N ARG A 10 -1.887 -9.441 9.812 1.00 0.00 N ATOM 200 CA ARG A 10 -2.083 -9.263 11.260 1.00 0.00 C ATOM 201 C ARG A 10 -3.400 -8.573 11.645 1.00 0.00 C ATOM 202 O ARG A 10 -3.782 -8.671 12.805 1.00 0.00 O ATOM 203 CB ARG A 10 -0.893 -8.496 11.866 1.00 0.00 C ATOM 204 CG ARG A 10 0.050 -9.384 12.687 1.00 0.00 C ATOM 205 CD ARG A 10 1.096 -8.487 13.360 1.00 0.00 C ATOM 206 NE ARG A 10 2.139 -9.253 14.066 1.00 0.00 N ATOM 207 CZ ARG A 10 3.349 -9.550 13.609 1.00 0.00 C ATOM 208 NH1 ARG A 10 3.687 -9.383 12.351 1.00 0.00 N ATOM 209 NH2 ARG A 10 4.265 -10.023 14.421 1.00 0.00 N ATOM 0 H ARG A 10 -1.015 -9.023 9.486 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.142 -10.270 11.674 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.328 -8.024 11.063 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.272 -7.696 12.502 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.511 -9.941 13.437 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.537 -10.117 12.044 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.564 -7.855 12.606 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.598 -7.824 14.067 1.00 0.00 H new ATOM 0 HE ARG A 10 1.907 -9.589 15.001 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.009 -9.013 11.685 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.628 -9.624 12.039 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.048 -10.164 15.408 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.194 -10.250 14.065 1.00 0.00 H new ATOM 223 N MET A 11 -4.118 -7.945 10.702 1.00 0.00 N ATOM 224 CA MET A 11 -5.494 -7.478 10.906 1.00 0.00 C ATOM 225 C MET A 11 -6.417 -8.590 11.429 1.00 0.00 C ATOM 226 O MET A 11 -7.246 -8.319 12.293 1.00 0.00 O ATOM 227 CB MET A 11 -6.062 -6.924 9.589 1.00 0.00 C ATOM 228 CG MET A 11 -5.445 -5.583 9.172 1.00 0.00 C ATOM 229 SD MET A 11 -6.215 -4.117 9.917 1.00 0.00 S ATOM 230 CE MET A 11 -4.805 -3.376 10.774 1.00 0.00 C ATOM 0 H MET A 11 -3.755 -7.746 9.770 1.00 0.00 H new ATOM 0 HA MET A 11 -5.457 -6.693 11.661 1.00 0.00 H new ATOM 0 HB2 MET A 11 -5.896 -7.653 8.796 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.140 -6.803 9.690 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.387 -5.591 9.433 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.505 -5.494 8.087 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.124 -2.465 11.280 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.414 -4.080 11.508 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.025 -3.136 10.051 1.00 0.00 H new ATOM 240 N THR A 12 -6.300 -9.824 10.904 1.00 0.00 N ATOM 241 CA THR A 12 -7.138 -10.969 11.333 1.00 0.00 C ATOM 242 C THR A 12 -6.473 -12.351 11.243 1.00 0.00 C ATOM 243 O THR A 12 -7.039 -13.321 11.741 1.00 0.00 O ATOM 244 CB THR A 12 -8.445 -11.064 10.520 1.00 0.00 C ATOM 245 OG1 THR A 12 -8.151 -11.322 9.167 1.00 0.00 O ATOM 246 CG2 THR A 12 -9.331 -9.819 10.548 1.00 0.00 C ATOM 0 H THR A 12 -5.627 -10.059 10.174 1.00 0.00 H new ATOM 0 HA THR A 12 -7.319 -10.742 12.384 1.00 0.00 H new ATOM 0 HB THR A 12 -8.999 -11.869 11.002 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.274 -12.276 8.982 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.222 -9.993 9.945 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.624 -9.604 11.576 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.779 -8.971 10.143 1.00 0.00 H new ATOM 254 N GLY A 13 -5.329 -12.495 10.564 1.00 0.00 N ATOM 255 CA GLY A 13 -4.706 -13.776 10.223 1.00 0.00 C ATOM 256 C GLY A 13 -5.460 -14.550 9.136 1.00 0.00 C ATOM 257 O GLY A 13 -4.835 -15.010 8.185 1.00 0.00 O ATOM 0 H GLY A 13 -4.795 -11.695 10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.684 -13.597 9.888 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.644 -14.392 11.120 1.00 0.00 H new ATOM 261 N ILE A 14 -6.792 -14.662 9.221 1.00 0.00 N ATOM 262 CA ILE A 14 -7.615 -15.445 8.279 1.00 0.00 C ATOM 263 C ILE A 14 -7.408 -14.980 6.828 1.00 0.00 C ATOM 264 O ILE A 14 -7.365 -15.799 5.910 1.00 0.00 O ATOM 265 CB ILE A 14 -9.116 -15.526 8.698 1.00 0.00 C ATOM 266 CG1 ILE A 14 -10.098 -14.561 7.991 1.00 0.00 C ATOM 267 CG2 ILE A 14 -9.314 -15.338 10.217 1.00 0.00 C ATOM 268 CD1 ILE A 14 -10.577 -15.017 6.601 1.00 0.00 C ATOM 0 H ILE A 14 -7.338 -14.208 9.953 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.260 -16.474 8.327 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.368 -16.535 8.370 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.970 -14.422 8.631 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.617 -13.588 7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.375 -15.403 10.456 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.773 -16.117 10.754 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -8.934 -14.361 10.515 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.260 -14.274 6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.719 -15.127 5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.092 -15.974 6.689 1.00 0.00 H new ATOM 280 N ARG A 15 -7.227 -13.666 6.622 1.00 0.00 N ATOM 281 CA ARG A 15 -6.950 -13.082 5.305 1.00 0.00 C ATOM 282 C ARG A 15 -5.555 -13.427 4.769 1.00 0.00 C ATOM 283 O ARG A 15 -5.351 -13.270 3.570 1.00 0.00 O ATOM 284 CB ARG A 15 -7.148 -11.554 5.323 1.00 0.00 C ATOM 285 CG ARG A 15 -8.539 -11.078 5.777 1.00 0.00 C ATOM 286 CD ARG A 15 -9.705 -11.570 4.907 1.00 0.00 C ATOM 287 NE ARG A 15 -10.966 -10.883 5.243 1.00 0.00 N ATOM 288 CZ ARG A 15 -11.706 -10.910 6.343 1.00 0.00 C ATOM 289 NH1 ARG A 15 -11.516 -11.766 7.309 1.00 0.00 N ATOM 290 NH2 ARG A 15 -12.682 -10.049 6.457 1.00 0.00 N ATOM 0 H ARG A 15 -7.270 -12.976 7.372 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.672 -13.531 4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.399 -11.115 5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.958 -11.167 4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.704 -11.410 6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.548 -9.988 5.789 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.470 -11.404 3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.830 -12.645 5.040 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.332 -10.285 4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.769 -12.457 7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.114 -11.744 8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.860 -9.377 5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.266 -10.048 7.293 1.00 0.00 H new ATOM 304 N GLU A 16 -4.605 -13.925 5.576 1.00 0.00 N ATOM 305 CA GLU A 16 -3.246 -14.258 5.112 1.00 0.00 C ATOM 306 C GLU A 16 -3.275 -15.291 3.984 1.00 0.00 C ATOM 307 O GLU A 16 -2.611 -15.111 2.966 1.00 0.00 O ATOM 308 CB GLU A 16 -2.367 -14.756 6.272 1.00 0.00 C ATOM 309 CG GLU A 16 -0.862 -14.598 5.980 1.00 0.00 C ATOM 310 CD GLU A 16 -0.118 -15.938 5.956 1.00 0.00 C ATOM 311 OE1 GLU A 16 0.039 -16.527 7.047 1.00 0.00 O ATOM 312 OE2 GLU A 16 0.295 -16.355 4.851 1.00 0.00 O ATOM 0 H GLU A 16 -4.756 -14.109 6.568 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.808 -13.341 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.618 -14.204 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.588 -15.805 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.733 -14.099 5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.415 -13.953 6.737 1.00 0.00 H new ATOM 319 N ALA A 17 -4.131 -16.313 4.121 1.00 0.00 N ATOM 320 CA ALA A 17 -4.379 -17.331 3.104 1.00 0.00 C ATOM 321 C ALA A 17 -4.847 -16.745 1.760 1.00 0.00 C ATOM 322 O ALA A 17 -4.537 -17.305 0.712 1.00 0.00 O ATOM 323 CB ALA A 17 -5.411 -18.318 3.661 1.00 0.00 C ATOM 0 H ALA A 17 -4.683 -16.454 4.967 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.438 -17.837 2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.614 -19.090 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.020 -18.780 4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.334 -17.787 3.894 1.00 0.00 H new ATOM 329 N THR A 18 -5.561 -15.614 1.791 1.00 0.00 N ATOM 330 CA THR A 18 -5.995 -14.836 0.625 1.00 0.00 C ATOM 331 C THR A 18 -4.877 -13.911 0.128 1.00 0.00 C ATOM 332 O THR A 18 -4.573 -13.917 -1.062 1.00 0.00 O ATOM 333 CB THR A 18 -7.277 -14.073 1.002 1.00 0.00 C ATOM 334 OG1 THR A 18 -8.357 -14.976 0.953 1.00 0.00 O ATOM 335 CG2 THR A 18 -7.629 -12.907 0.093 1.00 0.00 C ATOM 0 H THR A 18 -5.866 -15.197 2.670 1.00 0.00 H new ATOM 0 HA THR A 18 -6.219 -15.500 -0.210 1.00 0.00 H new ATOM 0 HB THR A 18 -7.091 -13.656 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.185 -14.509 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.548 -12.437 0.444 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.819 -12.177 0.107 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.773 -13.270 -0.925 1.00 0.00 H new ATOM 343 N LEU A 19 -4.229 -13.158 1.023 1.00 0.00 N ATOM 344 CA LEU A 19 -3.126 -12.238 0.730 1.00 0.00 C ATOM 345 C LEU A 19 -1.950 -12.951 0.037 1.00 0.00 C ATOM 346 O LEU A 19 -1.517 -12.530 -1.036 1.00 0.00 O ATOM 347 CB LEU A 19 -2.687 -11.562 2.045 1.00 0.00 C ATOM 348 CG LEU A 19 -3.711 -10.567 2.630 1.00 0.00 C ATOM 349 CD1 LEU A 19 -3.461 -10.326 4.120 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.635 -9.207 1.938 1.00 0.00 C ATOM 0 H LEU A 19 -4.470 -13.174 2.014 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.471 -11.478 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.488 -12.336 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.748 -11.037 1.872 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.691 -11.017 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.198 -9.621 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.546 -11.269 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.461 -9.916 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.371 -8.534 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.637 -8.788 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.843 -9.328 0.875 1.00 0.00 H new ATOM 362 N ARG A 20 -1.460 -14.058 0.617 1.00 0.00 N ATOM 363 CA ARG A 20 -0.397 -14.887 0.027 1.00 0.00 C ATOM 364 C ARG A 20 -0.828 -15.528 -1.298 1.00 0.00 C ATOM 365 O ARG A 20 -0.022 -15.655 -2.216 1.00 0.00 O ATOM 366 CB ARG A 20 0.079 -15.937 1.052 1.00 0.00 C ATOM 367 CG ARG A 20 -0.847 -17.162 1.109 1.00 0.00 C ATOM 368 CD ARG A 20 -0.555 -18.094 2.278 1.00 0.00 C ATOM 369 NE ARG A 20 -1.360 -19.319 2.146 1.00 0.00 N ATOM 370 CZ ARG A 20 -1.132 -20.485 2.728 1.00 0.00 C ATOM 371 NH1 ARG A 20 -0.126 -20.659 3.552 1.00 0.00 N ATOM 372 NH2 ARG A 20 -1.925 -21.503 2.482 1.00 0.00 N ATOM 0 H ARG A 20 -1.793 -14.406 1.516 1.00 0.00 H new ATOM 0 HA ARG A 20 0.445 -14.239 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.088 -16.259 0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.132 -15.479 2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.881 -16.823 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.754 -17.721 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.506 -18.344 2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.785 -17.596 3.220 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.180 -19.263 1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.504 -19.884 3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.026 -21.569 3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.713 -21.393 1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.752 -22.404 2.929 1.00 0.00 H new ATOM 386 N ALA A 21 -2.105 -15.920 -1.416 1.00 0.00 N ATOM 387 CA ALA A 21 -2.650 -16.447 -2.660 1.00 0.00 C ATOM 388 C ALA A 21 -2.620 -15.366 -3.740 1.00 0.00 C ATOM 389 O ALA A 21 -2.135 -15.632 -4.838 1.00 0.00 O ATOM 390 CB ALA A 21 -4.061 -17.006 -2.446 1.00 0.00 C ATOM 0 H ALA A 21 -2.780 -15.878 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.029 -17.277 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.446 -17.393 -3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.026 -17.810 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.716 -16.213 -2.085 1.00 0.00 H new ATOM 396 N TRP A 22 -3.067 -14.141 -3.434 1.00 0.00 N ATOM 397 CA TRP A 22 -3.029 -13.030 -4.379 1.00 0.00 C ATOM 398 C TRP A 22 -1.640 -12.759 -4.948 1.00 0.00 C ATOM 399 O TRP A 22 -1.566 -12.499 -6.145 1.00 0.00 O ATOM 400 CB TRP A 22 -3.553 -11.744 -3.769 1.00 0.00 C ATOM 401 CG TRP A 22 -4.973 -11.665 -3.327 1.00 0.00 C ATOM 402 CD1 TRP A 22 -6.008 -12.394 -3.797 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.540 -10.717 -2.378 1.00 0.00 C ATOM 404 NE1 TRP A 22 -7.176 -11.934 -3.228 1.00 0.00 N ATOM 405 CE2 TRP A 22 -6.949 -10.876 -2.378 1.00 0.00 C ATOM 406 CE3 TRP A 22 -5.014 -9.711 -1.545 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -7.793 -10.061 -1.619 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -5.852 -8.889 -0.768 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.245 -9.062 -0.800 1.00 0.00 C ATOM 0 H TRP A 22 -3.463 -13.898 -2.526 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.679 -13.348 -5.194 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.929 -11.515 -2.905 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.393 -10.949 -4.497 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.933 -13.206 -4.505 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.097 -12.330 -3.414 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.945 -9.567 -1.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.863 -10.199 -1.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.421 -8.121 -0.143 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -7.887 -8.433 -0.201 1.00 0.00 H new ATOM 420 N GLU A 23 -0.560 -12.883 -4.165 1.00 0.00 N ATOM 421 CA GLU A 23 0.826 -12.792 -4.660 1.00 0.00 C ATOM 422 C GLU A 23 1.077 -13.696 -5.886 1.00 0.00 C ATOM 423 O GLU A 23 1.805 -13.306 -6.797 1.00 0.00 O ATOM 424 CB GLU A 23 1.819 -13.026 -3.494 1.00 0.00 C ATOM 425 CG GLU A 23 2.950 -14.035 -3.761 1.00 0.00 C ATOM 426 CD GLU A 23 3.931 -14.105 -2.587 1.00 0.00 C ATOM 427 OE1 GLU A 23 3.679 -14.916 -1.668 1.00 0.00 O ATOM 428 OE2 GLU A 23 4.927 -13.348 -2.626 1.00 0.00 O ATOM 0 H GLU A 23 -0.621 -13.051 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 23 0.999 -11.782 -5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.268 -12.069 -3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.255 -13.365 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.523 -15.022 -3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.485 -13.751 -4.667 1.00 0.00 H new ATOM 435 N ARG A 24 0.425 -14.866 -5.938 1.00 0.00 N ATOM 436 CA ARG A 24 0.476 -15.833 -7.044 1.00 0.00 C ATOM 437 C ARG A 24 -0.725 -15.764 -7.999 1.00 0.00 C ATOM 438 O ARG A 24 -0.636 -16.290 -9.105 1.00 0.00 O ATOM 439 CB ARG A 24 0.597 -17.238 -6.430 1.00 0.00 C ATOM 440 CG ARG A 24 2.055 -17.563 -6.081 1.00 0.00 C ATOM 441 CD ARG A 24 2.134 -18.772 -5.139 1.00 0.00 C ATOM 442 NE ARG A 24 3.325 -19.600 -5.409 1.00 0.00 N ATOM 443 CZ ARG A 24 3.440 -20.530 -6.351 1.00 0.00 C ATOM 444 NH1 ARG A 24 2.459 -20.801 -7.181 1.00 0.00 N ATOM 445 NH2 ARG A 24 4.556 -21.209 -6.482 1.00 0.00 N ATOM 0 H ARG A 24 -0.179 -15.178 -5.177 1.00 0.00 H new ATOM 0 HA ARG A 24 1.339 -15.587 -7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.018 -17.300 -5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.213 -17.979 -7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.614 -17.770 -6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.522 -16.698 -5.610 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.158 -18.427 -4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.236 -19.379 -5.251 1.00 0.00 H new ATOM 0 HE ARG A 24 4.139 -19.443 -4.815 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.578 -20.292 -7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.578 -21.521 -7.894 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.342 -21.024 -5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.637 -21.922 -7.207 1.00 0.00 H new ATOM 459 N ARG A 25 -1.835 -15.139 -7.589 1.00 0.00 N ATOM 460 CA ARG A 25 -3.127 -15.130 -8.297 1.00 0.00 C ATOM 461 C ARG A 25 -3.385 -13.834 -9.085 1.00 0.00 C ATOM 462 O ARG A 25 -4.061 -13.898 -10.106 1.00 0.00 O ATOM 463 CB ARG A 25 -4.231 -15.435 -7.265 1.00 0.00 C ATOM 464 CG ARG A 25 -5.534 -16.020 -7.823 1.00 0.00 C ATOM 465 CD ARG A 25 -6.453 -16.355 -6.635 1.00 0.00 C ATOM 466 NE ARG A 25 -7.760 -16.881 -7.067 1.00 0.00 N ATOM 467 CZ ARG A 25 -8.636 -17.535 -6.313 1.00 0.00 C ATOM 468 NH1 ARG A 25 -8.440 -17.734 -5.027 1.00 0.00 N ATOM 469 NH2 ARG A 25 -9.740 -18.010 -6.839 1.00 0.00 N ATOM 0 H ARG A 25 -1.862 -14.604 -6.721 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.119 -15.901 -9.067 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.830 -16.132 -6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.469 -14.513 -6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.018 -15.306 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.329 -16.915 -8.410 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.963 -17.089 -5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.606 -15.459 -6.033 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.017 -16.728 -8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.594 -17.381 -4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.134 -18.241 -4.478 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.930 -17.878 -7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.409 -18.511 -6.254 1.00 0.00 H new ATOM 483 N TYR A 26 -2.835 -12.691 -8.643 1.00 0.00 N ATOM 484 CA TYR A 26 -2.973 -11.371 -9.294 1.00 0.00 C ATOM 485 C TYR A 26 -1.770 -10.436 -9.091 1.00 0.00 C ATOM 486 O TYR A 26 -1.405 -9.699 -10.003 1.00 0.00 O ATOM 487 CB TYR A 26 -4.208 -10.621 -8.757 1.00 0.00 C ATOM 488 CG TYR A 26 -5.487 -11.424 -8.737 1.00 0.00 C ATOM 489 CD1 TYR A 26 -6.249 -11.572 -9.911 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.875 -12.073 -7.552 1.00 0.00 C ATOM 491 CE1 TYR A 26 -7.395 -12.386 -9.906 1.00 0.00 C ATOM 492 CE2 TYR A 26 -7.011 -12.896 -7.548 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.772 -13.058 -8.723 1.00 0.00 C ATOM 494 OH TYR A 26 -8.868 -13.861 -8.719 1.00 0.00 O ATOM 0 H TYR A 26 -2.265 -12.655 -7.798 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.059 -11.604 -10.355 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.995 -10.281 -7.744 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.366 -9.730 -9.365 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.953 -11.061 -10.815 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.300 -11.938 -6.648 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.985 -12.497 -10.804 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.303 -13.407 -6.642 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.856 -14.428 -7.919 1.00 0.00 H new ATOM 504 N GLY A 27 -1.200 -10.419 -7.880 1.00 0.00 N ATOM 505 CA GLY A 27 -0.125 -9.531 -7.444 1.00 0.00 C ATOM 506 C GLY A 27 -0.562 -8.382 -6.525 1.00 0.00 C ATOM 507 O GLY A 27 0.297 -7.610 -6.131 1.00 0.00 O ATOM 0 H GLY A 27 -1.494 -11.059 -7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.628 -10.125 -6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.356 -9.108 -8.326 1.00 0.00 H new ATOM 511 N PHE A 28 -1.854 -8.245 -6.187 1.00 0.00 N ATOM 512 CA PHE A 28 -2.389 -7.230 -5.261 1.00 0.00 C ATOM 513 C PHE A 28 -2.451 -7.753 -3.806 1.00 0.00 C ATOM 514 O PHE A 28 -2.793 -8.912 -3.617 1.00 0.00 O ATOM 515 CB PHE A 28 -3.797 -6.843 -5.738 1.00 0.00 C ATOM 516 CG PHE A 28 -4.662 -6.074 -4.750 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.461 -6.770 -3.819 1.00 0.00 C ATOM 518 CD2 PHE A 28 -4.715 -4.668 -4.791 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.368 -6.076 -3.000 1.00 0.00 C ATOM 520 CE2 PHE A 28 -5.597 -3.972 -3.947 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.446 -4.676 -3.077 1.00 0.00 C ATOM 0 H PHE A 28 -2.579 -8.856 -6.562 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.726 -6.365 -5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.698 -6.243 -6.643 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.325 -7.755 -6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.375 -7.843 -3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.077 -4.124 -5.472 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.003 -6.617 -2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.622 -2.892 -3.967 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.159 -4.141 -2.467 1.00 0.00 H new ATOM 531 N PRO A 29 -2.196 -6.932 -2.768 1.00 0.00 N ATOM 532 CA PRO A 29 -1.493 -5.666 -2.879 1.00 0.00 C ATOM 533 C PRO A 29 -0.069 -5.950 -3.348 1.00 0.00 C ATOM 534 O PRO A 29 0.535 -6.963 -2.971 1.00 0.00 O ATOM 535 CB PRO A 29 -1.510 -5.056 -1.484 1.00 0.00 C ATOM 536 CG PRO A 29 -1.531 -6.285 -0.567 1.00 0.00 C ATOM 537 CD PRO A 29 -2.323 -7.316 -1.369 1.00 0.00 C ATOM 0 HA PRO A 29 -1.950 -4.981 -3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.633 -4.435 -1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.385 -4.424 -1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.524 -6.637 -0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.010 -6.065 0.387 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.932 -8.320 -1.205 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.369 -7.327 -1.062 1.00 0.00 H new ATOM 545 N ARG A 30 0.471 -5.046 -4.164 1.00 0.00 N ATOM 546 CA ARG A 30 1.749 -5.249 -4.831 1.00 0.00 C ATOM 547 C ARG A 30 2.881 -4.734 -3.946 1.00 0.00 C ATOM 548 O ARG A 30 2.957 -3.527 -3.724 1.00 0.00 O ATOM 549 CB ARG A 30 1.693 -4.627 -6.233 1.00 0.00 C ATOM 550 CG ARG A 30 2.762 -5.238 -7.150 1.00 0.00 C ATOM 551 CD ARG A 30 4.161 -4.627 -6.958 1.00 0.00 C ATOM 552 NE ARG A 30 4.560 -3.828 -8.129 1.00 0.00 N ATOM 553 CZ ARG A 30 4.954 -4.292 -9.309 1.00 0.00 C ATOM 554 NH1 ARG A 30 5.114 -5.577 -9.532 1.00 0.00 N ATOM 555 NH2 ARG A 30 5.184 -3.464 -10.300 1.00 0.00 N ATOM 0 H ARG A 30 0.031 -4.151 -4.379 1.00 0.00 H new ATOM 0 HA ARG A 30 1.956 -6.309 -4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.705 -4.785 -6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.842 -3.550 -6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.815 -6.311 -6.967 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.457 -5.106 -8.188 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.167 -3.999 -6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.888 -5.422 -6.792 1.00 0.00 H new ATOM 0 HE ARG A 30 4.531 -2.814 -8.023 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.934 -6.250 -8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.418 -5.901 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.060 -2.461 -10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.487 -3.824 -11.205 1.00 0.00 H new ATOM 569 N PRO A 31 3.744 -5.619 -3.402 1.00 0.00 N ATOM 570 CA PRO A 31 4.784 -5.224 -2.460 1.00 0.00 C ATOM 571 C PRO A 31 5.773 -4.299 -3.165 1.00 0.00 C ATOM 572 O PRO A 31 6.531 -4.746 -4.032 1.00 0.00 O ATOM 573 CB PRO A 31 5.405 -6.530 -1.949 1.00 0.00 C ATOM 574 CG PRO A 31 5.103 -7.551 -3.040 1.00 0.00 C ATOM 575 CD PRO A 31 3.788 -7.060 -3.633 1.00 0.00 C ATOM 0 HA PRO A 31 4.411 -4.656 -1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.478 -6.424 -1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.971 -6.829 -0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.894 -7.583 -3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.009 -8.558 -2.633 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.735 -7.284 -4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.940 -7.555 -3.160 1.00 0.00 H new ATOM 583 N LEU A 32 5.716 -2.998 -2.845 1.00 0.00 N ATOM 584 CA LEU A 32 6.614 -2.025 -3.461 1.00 0.00 C ATOM 585 C LEU A 32 8.060 -2.338 -3.071 1.00 0.00 C ATOM 586 O LEU A 32 8.347 -2.936 -2.028 1.00 0.00 O ATOM 587 CB LEU A 32 6.235 -0.548 -3.192 1.00 0.00 C ATOM 588 CG LEU A 32 5.731 -0.184 -1.782 1.00 0.00 C ATOM 589 CD1 LEU A 32 6.219 1.193 -1.325 1.00 0.00 C ATOM 590 CD2 LEU A 32 4.199 -0.151 -1.768 1.00 0.00 C ATOM 0 H LEU A 32 5.062 -2.603 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 32 6.506 -2.130 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.109 0.067 -3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.464 -0.264 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 32 6.124 -0.945 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.836 1.402 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.309 1.205 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.860 1.954 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.850 0.107 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.845 0.595 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.811 -1.131 -2.046 1.00 0.00 H new ATOM 602 N ARG A 33 8.977 -1.907 -3.942 1.00 0.00 N ATOM 603 CA ARG A 33 10.410 -1.979 -3.678 1.00 0.00 C ATOM 604 C ARG A 33 10.759 -1.158 -2.439 1.00 0.00 C ATOM 605 O ARG A 33 9.978 -0.348 -1.936 1.00 0.00 O ATOM 606 CB ARG A 33 11.203 -1.549 -4.922 1.00 0.00 C ATOM 607 CG ARG A 33 11.143 -2.658 -5.983 1.00 0.00 C ATOM 608 CD ARG A 33 11.964 -2.313 -7.234 1.00 0.00 C ATOM 609 NE ARG A 33 12.713 -3.476 -7.752 1.00 0.00 N ATOM 610 CZ ARG A 33 12.236 -4.615 -8.241 1.00 0.00 C ATOM 611 NH1 ARG A 33 10.948 -4.847 -8.345 1.00 0.00 N ATOM 612 NH2 ARG A 33 13.061 -5.557 -8.633 1.00 0.00 N ATOM 0 H ARG A 33 8.744 -1.500 -4.847 1.00 0.00 H new ATOM 0 HA ARG A 33 10.693 -3.010 -3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.792 -0.624 -5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.239 -1.346 -4.652 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.513 -3.589 -5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.105 -2.829 -6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.298 -1.938 -8.011 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.662 -1.510 -6.997 1.00 0.00 H new ATOM 0 HE ARG A 33 13.729 -3.394 -7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.277 -4.140 -8.045 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.619 -5.734 -8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.069 -5.414 -8.562 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.695 -6.432 -9.009 1.00 0.00 H new ATOM 626 N SER A 34 11.924 -1.434 -1.873 1.00 0.00 N ATOM 627 CA SER A 34 12.394 -0.836 -0.630 1.00 0.00 C ATOM 628 C SER A 34 13.916 -0.979 -0.567 1.00 0.00 C ATOM 629 O SER A 34 14.520 -1.538 -1.486 1.00 0.00 O ATOM 630 CB SER A 34 11.684 -1.500 0.558 1.00 0.00 C ATOM 631 OG SER A 34 10.296 -1.224 0.506 1.00 0.00 O ATOM 0 H SER A 34 12.587 -2.097 -2.275 1.00 0.00 H new ATOM 0 HA SER A 34 12.156 0.227 -0.587 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.850 -2.577 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.102 -1.132 1.495 1.00 0.00 H new ATOM 0 HG SER A 34 10.119 -0.567 -0.199 1.00 0.00 H new ATOM 637 N GLU A 35 14.540 -0.407 0.464 1.00 0.00 N ATOM 638 CA GLU A 35 15.998 -0.364 0.590 1.00 0.00 C ATOM 639 C GLU A 35 16.631 -1.725 0.958 1.00 0.00 C ATOM 640 O GLU A 35 15.949 -2.743 1.039 1.00 0.00 O ATOM 641 CB GLU A 35 16.389 0.744 1.586 1.00 0.00 C ATOM 642 CG GLU A 35 17.448 1.660 0.965 1.00 0.00 C ATOM 643 CD GLU A 35 18.240 2.376 2.052 1.00 0.00 C ATOM 644 OE1 GLU A 35 17.695 3.338 2.630 1.00 0.00 O ATOM 645 OE2 GLU A 35 19.370 1.914 2.318 1.00 0.00 O ATOM 0 H GLU A 35 14.048 0.041 1.237 1.00 0.00 H new ATOM 0 HA GLU A 35 16.407 -0.129 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.509 1.326 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.774 0.300 2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 35 18.123 1.074 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.968 2.392 0.315 1.00 0.00 H new ATOM 652 N GLY A 36 17.955 -1.755 1.174 1.00 0.00 N ATOM 653 CA GLY A 36 18.717 -2.988 1.405 1.00 0.00 C ATOM 654 C GLY A 36 18.212 -3.830 2.585 1.00 0.00 C ATOM 655 O GLY A 36 17.874 -4.998 2.415 1.00 0.00 O ATOM 0 H GLY A 36 18.531 -0.914 1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.686 -3.595 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.761 -2.729 1.579 1.00 0.00 H new ATOM 659 N ASN A 37 18.184 -3.243 3.789 1.00 0.00 N ATOM 660 CA ASN A 37 17.661 -3.888 5.001 1.00 0.00 C ATOM 661 C ASN A 37 16.138 -3.725 5.168 1.00 0.00 C ATOM 662 O ASN A 37 15.493 -4.597 5.746 1.00 0.00 O ATOM 663 CB ASN A 37 18.416 -3.353 6.231 1.00 0.00 C ATOM 664 CG ASN A 37 18.417 -1.832 6.304 1.00 0.00 C ATOM 665 OD1 ASN A 37 17.411 -1.202 6.578 1.00 0.00 O ATOM 666 ND2 ASN A 37 19.531 -1.198 5.998 1.00 0.00 N ATOM 0 H ASN A 37 18.528 -2.296 3.951 1.00 0.00 H new ATOM 0 HA ASN A 37 17.832 -4.960 4.902 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.960 -3.756 7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.445 -3.712 6.205 1.00 0.00 H new ATOM 0 HD21 ASN A 37 19.552 -0.178 5.990 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.372 -1.727 5.769 1.00 0.00 H new ATOM 673 N ASN A 38 15.556 -2.631 4.663 1.00 0.00 N ATOM 674 CA ASN A 38 14.121 -2.381 4.703 1.00 0.00 C ATOM 675 C ASN A 38 13.401 -3.340 3.750 1.00 0.00 C ATOM 676 O ASN A 38 13.320 -3.083 2.552 1.00 0.00 O ATOM 677 CB ASN A 38 13.839 -0.905 4.365 1.00 0.00 C ATOM 678 CG ASN A 38 12.411 -0.464 4.684 1.00 0.00 C ATOM 679 OD1 ASN A 38 12.201 0.494 5.408 1.00 0.00 O ATOM 680 ND2 ASN A 38 11.374 -1.107 4.181 1.00 0.00 N ATOM 0 H ASN A 38 16.083 -1.885 4.209 1.00 0.00 H new ATOM 0 HA ASN A 38 13.738 -2.567 5.707 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.536 -0.275 4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.032 -0.741 3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.427 -0.799 4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.520 -1.912 3.572 1.00 0.00 H new ATOM 687 N TYR A 39 12.834 -4.422 4.287 1.00 0.00 N ATOM 688 CA TYR A 39 12.024 -5.384 3.533 1.00 0.00 C ATOM 689 C TYR A 39 10.891 -4.697 2.748 1.00 0.00 C ATOM 690 O TYR A 39 10.507 -3.564 3.051 1.00 0.00 O ATOM 691 CB TYR A 39 11.453 -6.454 4.483 1.00 0.00 C ATOM 692 CG TYR A 39 12.311 -6.734 5.704 1.00 0.00 C ATOM 693 CD1 TYR A 39 13.515 -7.454 5.577 1.00 0.00 C ATOM 694 CD2 TYR A 39 11.958 -6.165 6.943 1.00 0.00 C ATOM 695 CE1 TYR A 39 14.367 -7.608 6.687 1.00 0.00 C ATOM 696 CE2 TYR A 39 12.809 -6.314 8.054 1.00 0.00 C ATOM 697 CZ TYR A 39 14.015 -7.032 7.928 1.00 0.00 C ATOM 698 OH TYR A 39 14.833 -7.155 9.007 1.00 0.00 O ATOM 0 H TYR A 39 12.926 -4.659 5.275 1.00 0.00 H new ATOM 0 HA TYR A 39 12.676 -5.863 2.802 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.464 -6.137 4.814 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.321 -7.382 3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.785 -7.889 4.626 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.034 -5.614 7.041 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.287 -8.165 6.590 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.538 -5.878 9.004 1.00 0.00 H new ATOM 0 HH TYR A 39 14.433 -6.696 9.775 1.00 0.00 H new ATOM 708 N ARG A 40 10.325 -5.404 1.760 1.00 0.00 N ATOM 709 CA ARG A 40 9.207 -4.895 0.953 1.00 0.00 C ATOM 710 C ARG A 40 7.984 -4.596 1.830 1.00 0.00 C ATOM 711 O ARG A 40 7.672 -5.340 2.764 1.00 0.00 O ATOM 712 CB ARG A 40 8.823 -5.884 -0.152 1.00 0.00 C ATOM 713 CG ARG A 40 9.957 -6.208 -1.134 1.00 0.00 C ATOM 714 CD ARG A 40 9.438 -7.142 -2.232 1.00 0.00 C ATOM 715 NE ARG A 40 10.535 -7.671 -3.062 1.00 0.00 N ATOM 716 CZ ARG A 40 10.412 -8.451 -4.129 1.00 0.00 C ATOM 717 NH1 ARG A 40 9.238 -8.781 -4.616 1.00 0.00 N ATOM 718 NH2 ARG A 40 11.482 -8.923 -4.728 1.00 0.00 N ATOM 0 H ARG A 40 10.628 -6.342 1.498 1.00 0.00 H new ATOM 0 HA ARG A 40 9.541 -3.967 0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.482 -6.811 0.309 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.980 -5.477 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.341 -5.289 -1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.786 -6.678 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.894 -7.970 -1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.731 -6.604 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 40 11.483 -7.412 -2.789 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.387 -8.436 -4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.177 -9.382 -5.438 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.410 -8.690 -4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.385 -9.522 -5.548 1.00 0.00 H new ATOM 732 N VAL A 41 7.286 -3.514 1.494 1.00 0.00 N ATOM 733 CA VAL A 41 6.166 -2.952 2.263 1.00 0.00 C ATOM 734 C VAL A 41 5.027 -2.498 1.336 1.00 0.00 C ATOM 735 O VAL A 41 5.038 -2.763 0.133 1.00 0.00 O ATOM 736 CB VAL A 41 6.657 -1.832 3.224 1.00 0.00 C ATOM 737 CG1 VAL A 41 7.353 -2.422 4.458 1.00 0.00 C ATOM 738 CG2 VAL A 41 7.588 -0.811 2.567 1.00 0.00 C ATOM 0 H VAL A 41 7.488 -2.981 0.648 1.00 0.00 H new ATOM 0 HA VAL A 41 5.749 -3.737 2.893 1.00 0.00 H new ATOM 0 HB VAL A 41 5.752 -1.302 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.685 -1.614 5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.655 -3.061 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.215 -3.011 4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.886 -0.064 3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.474 -1.319 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.068 -0.322 1.743 1.00 0.00 H new ATOM 748 N TYR A 42 4.017 -1.857 1.927 1.00 0.00 N ATOM 749 CA TYR A 42 2.783 -1.399 1.308 1.00 0.00 C ATOM 750 C TYR A 42 2.451 0.038 1.699 1.00 0.00 C ATOM 751 O TYR A 42 2.785 0.500 2.794 1.00 0.00 O ATOM 752 CB TYR A 42 1.652 -2.329 1.733 1.00 0.00 C ATOM 753 CG TYR A 42 1.863 -3.723 1.207 1.00 0.00 C ATOM 754 CD1 TYR A 42 1.720 -3.947 -0.169 1.00 0.00 C ATOM 755 CD2 TYR A 42 2.242 -4.772 2.064 1.00 0.00 C ATOM 756 CE1 TYR A 42 1.891 -5.236 -0.675 1.00 0.00 C ATOM 757 CE2 TYR A 42 2.405 -6.068 1.542 1.00 0.00 C ATOM 758 CZ TYR A 42 2.199 -6.313 0.169 1.00 0.00 C ATOM 759 OH TYR A 42 2.259 -7.571 -0.346 1.00 0.00 O ATOM 0 H TYR A 42 4.047 -1.631 2.921 1.00 0.00 H new ATOM 0 HA TYR A 42 2.908 -1.418 0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.589 -2.354 2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.702 -1.940 1.367 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.480 -3.129 -0.832 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.407 -4.584 3.115 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.784 -5.408 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.689 -6.879 2.196 1.00 0.00 H new ATOM 0 HH TYR A 42 1.767 -7.602 -1.193 1.00 0.00 H new ATOM 769 N SER A 43 1.753 0.722 0.792 1.00 0.00 N ATOM 770 CA SER A 43 1.231 2.067 0.973 1.00 0.00 C ATOM 771 C SER A 43 -0.182 2.036 1.574 1.00 0.00 C ATOM 772 O SER A 43 -0.904 1.037 1.511 1.00 0.00 O ATOM 773 CB SER A 43 1.277 2.790 -0.380 1.00 0.00 C ATOM 774 OG SER A 43 0.710 1.994 -1.402 1.00 0.00 O ATOM 0 H SER A 43 1.530 0.334 -0.124 1.00 0.00 H new ATOM 0 HA SER A 43 1.846 2.616 1.685 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.738 3.735 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.310 3.030 -0.633 1.00 0.00 H new ATOM 0 HG SER A 43 0.697 2.500 -2.241 1.00 0.00 H new ATOM 780 N ARG A 44 -0.578 3.155 2.192 1.00 0.00 N ATOM 781 CA ARG A 44 -1.830 3.291 2.956 1.00 0.00 C ATOM 782 C ARG A 44 -3.078 3.154 2.072 1.00 0.00 C ATOM 783 O ARG A 44 -4.058 2.555 2.486 1.00 0.00 O ATOM 784 CB ARG A 44 -1.780 4.628 3.714 1.00 0.00 C ATOM 785 CG ARG A 44 -2.608 4.659 5.016 1.00 0.00 C ATOM 786 CD ARG A 44 -1.781 5.188 6.207 1.00 0.00 C ATOM 787 NE ARG A 44 -2.517 6.172 7.021 1.00 0.00 N ATOM 788 CZ ARG A 44 -2.034 6.847 8.060 1.00 0.00 C ATOM 789 NH1 ARG A 44 -0.838 6.608 8.549 1.00 0.00 N ATOM 790 NH2 ARG A 44 -2.752 7.787 8.629 1.00 0.00 N ATOM 0 H ARG A 44 -0.026 4.013 2.176 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.913 2.473 3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.741 4.856 3.954 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.136 5.419 3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.486 5.290 4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.969 3.656 5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.484 4.350 6.838 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.865 5.645 5.833 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.487 6.352 6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.251 5.887 8.130 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.497 7.144 9.347 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.684 8.002 8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.378 8.303 9.426 1.00 0.00 H new ATOM 804 N GLU A 45 -2.982 3.651 0.840 1.00 0.00 N ATOM 805 CA GLU A 45 -3.855 3.437 -0.328 1.00 0.00 C ATOM 806 C GLU A 45 -4.042 1.950 -0.696 1.00 0.00 C ATOM 807 O GLU A 45 -5.183 1.489 -0.776 1.00 0.00 O ATOM 808 CB GLU A 45 -3.290 4.224 -1.536 1.00 0.00 C ATOM 809 CG GLU A 45 -1.748 4.238 -1.558 1.00 0.00 C ATOM 810 CD GLU A 45 -1.092 4.255 -2.936 1.00 0.00 C ATOM 811 OE1 GLU A 45 -1.542 5.032 -3.806 1.00 0.00 O ATOM 812 OE2 GLU A 45 -0.101 3.495 -3.065 1.00 0.00 O ATOM 0 H GLU A 45 -2.214 4.279 0.604 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.846 3.804 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.660 3.781 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.660 5.249 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.406 5.113 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.390 3.361 -1.019 1.00 0.00 H new ATOM 819 N GLU A 46 -2.954 1.188 -0.899 1.00 0.00 N ATOM 820 CA GLU A 46 -3.027 -0.265 -1.111 1.00 0.00 C ATOM 821 C GLU A 46 -3.720 -0.931 0.080 1.00 0.00 C ATOM 822 O GLU A 46 -4.683 -1.670 -0.106 1.00 0.00 O ATOM 823 CB GLU A 46 -1.625 -0.872 -1.335 1.00 0.00 C ATOM 824 CG GLU A 46 -1.152 -0.845 -2.798 1.00 0.00 C ATOM 825 CD GLU A 46 -1.752 -1.987 -3.634 1.00 0.00 C ATOM 826 OE1 GLU A 46 -2.993 -2.122 -3.646 1.00 0.00 O ATOM 827 OE2 GLU A 46 -0.961 -2.747 -4.241 1.00 0.00 O ATOM 0 H GLU A 46 -2.005 1.561 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.612 -0.450 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.905 -0.330 -0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.628 -1.904 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.424 0.110 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.064 -0.912 -2.826 1.00 0.00 H new ATOM 834 N VAL A 47 -3.281 -0.632 1.310 1.00 0.00 N ATOM 835 CA VAL A 47 -3.914 -1.147 2.532 1.00 0.00 C ATOM 836 C VAL A 47 -5.402 -0.781 2.614 1.00 0.00 C ATOM 837 O VAL A 47 -6.196 -1.644 2.968 1.00 0.00 O ATOM 838 CB VAL A 47 -3.137 -0.719 3.792 1.00 0.00 C ATOM 839 CG1 VAL A 47 -3.882 -1.068 5.090 1.00 0.00 C ATOM 840 CG2 VAL A 47 -1.788 -1.446 3.832 1.00 0.00 C ATOM 0 H VAL A 47 -2.479 -0.027 1.486 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.871 -2.235 2.482 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.017 0.363 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.291 -0.745 5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.847 -0.561 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.037 -2.146 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.238 -1.144 4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.956 -2.523 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.210 -1.189 2.944 1.00 0.00 H new ATOM 850 N GLU A 48 -5.807 0.446 2.272 1.00 0.00 N ATOM 851 CA GLU A 48 -7.210 0.873 2.210 1.00 0.00 C ATOM 852 C GLU A 48 -8.021 0.007 1.239 1.00 0.00 C ATOM 853 O GLU A 48 -9.029 -0.584 1.644 1.00 0.00 O ATOM 854 CB GLU A 48 -7.282 2.368 1.855 1.00 0.00 C ATOM 855 CG GLU A 48 -8.722 2.892 1.728 1.00 0.00 C ATOM 856 CD GLU A 48 -8.910 4.199 2.502 1.00 0.00 C ATOM 857 OE1 GLU A 48 -8.589 5.265 1.934 1.00 0.00 O ATOM 858 OE2 GLU A 48 -9.369 4.104 3.663 1.00 0.00 O ATOM 0 H GLU A 48 -5.153 1.189 2.024 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.664 0.734 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.760 2.942 2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.756 2.537 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.961 3.052 0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.418 2.142 2.103 1.00 0.00 H new ATOM 865 N ALA A 49 -7.562 -0.112 -0.015 1.00 0.00 N ATOM 866 CA ALA A 49 -8.170 -1.001 -1.000 1.00 0.00 C ATOM 867 C ALA A 49 -8.258 -2.436 -0.465 1.00 0.00 C ATOM 868 O ALA A 49 -9.341 -3.016 -0.447 1.00 0.00 O ATOM 869 CB ALA A 49 -7.385 -0.930 -2.313 1.00 0.00 C ATOM 0 H ALA A 49 -6.759 0.408 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.191 -0.673 -1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.841 -1.595 -3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.400 0.092 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.354 -1.237 -2.137 1.00 0.00 H new ATOM 875 N VAL A 50 -7.144 -2.995 0.019 1.00 0.00 N ATOM 876 CA VAL A 50 -7.066 -4.347 0.588 1.00 0.00 C ATOM 877 C VAL A 50 -8.042 -4.537 1.735 1.00 0.00 C ATOM 878 O VAL A 50 -8.764 -5.524 1.735 1.00 0.00 O ATOM 879 CB VAL A 50 -5.646 -4.657 1.073 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.561 -5.953 1.890 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.705 -4.808 -0.110 1.00 0.00 C ATOM 0 H VAL A 50 -6.248 -2.508 0.027 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.335 -5.038 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.361 -3.819 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.531 -6.118 2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.200 -5.872 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.892 -6.792 1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.700 -5.028 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.049 -5.623 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.690 -3.881 -0.684 1.00 0.00 H new ATOM 891 N ARG A 51 -8.075 -3.625 2.710 1.00 0.00 N ATOM 892 CA ARG A 51 -8.975 -3.661 3.864 1.00 0.00 C ATOM 893 C ARG A 51 -10.434 -3.681 3.400 1.00 0.00 C ATOM 894 O ARG A 51 -11.218 -4.485 3.908 1.00 0.00 O ATOM 895 CB ARG A 51 -8.609 -2.479 4.780 1.00 0.00 C ATOM 896 CG ARG A 51 -9.245 -2.476 6.175 1.00 0.00 C ATOM 897 CD ARG A 51 -10.714 -2.041 6.174 1.00 0.00 C ATOM 898 NE ARG A 51 -11.155 -1.693 7.535 1.00 0.00 N ATOM 899 CZ ARG A 51 -12.194 -0.936 7.862 1.00 0.00 C ATOM 900 NH1 ARG A 51 -13.015 -0.461 6.954 1.00 0.00 N ATOM 901 NH2 ARG A 51 -12.422 -0.638 9.119 1.00 0.00 N ATOM 0 H ARG A 51 -7.455 -2.815 2.717 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.857 -4.575 4.446 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.526 -2.461 4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.890 -1.555 4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.170 -3.476 6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.677 -1.809 6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.844 -1.183 5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.336 -2.844 5.779 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.605 -2.073 8.305 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.862 -0.672 5.968 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.806 0.119 7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.800 -0.989 9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.222 -0.056 9.368 1.00 0.00 H new ATOM 915 N ARG A 52 -10.787 -2.860 2.398 1.00 0.00 N ATOM 916 CA ARG A 52 -12.073 -2.943 1.693 1.00 0.00 C ATOM 917 C ARG A 52 -12.301 -4.317 1.066 1.00 0.00 C ATOM 918 O ARG A 52 -13.261 -4.975 1.458 1.00 0.00 O ATOM 919 CB ARG A 52 -12.208 -1.812 0.659 1.00 0.00 C ATOM 920 CG ARG A 52 -13.016 -0.653 1.245 1.00 0.00 C ATOM 921 CD ARG A 52 -13.126 0.498 0.239 1.00 0.00 C ATOM 922 NE ARG A 52 -14.150 1.472 0.659 1.00 0.00 N ATOM 923 CZ ARG A 52 -15.462 1.380 0.469 1.00 0.00 C ATOM 924 NH1 ARG A 52 -16.005 0.376 -0.181 1.00 0.00 N ATOM 925 NH2 ARG A 52 -16.264 2.303 0.945 1.00 0.00 N ATOM 0 H ARG A 52 -10.182 -2.115 2.053 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.860 -2.810 2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.220 -1.462 0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.697 -2.188 -0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.013 -1.000 1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.541 -0.298 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.161 0.997 0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.377 0.103 -0.745 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.816 2.304 1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.415 -0.366 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.016 0.338 -0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.881 3.094 1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.271 2.229 0.797 1.00 0.00 H new ATOM 939 N VAL A 53 -11.437 -4.761 0.144 1.00 0.00 N ATOM 940 CA VAL A 53 -11.515 -6.069 -0.534 1.00 0.00 C ATOM 941 C VAL A 53 -11.684 -7.209 0.482 1.00 0.00 C ATOM 942 O VAL A 53 -12.599 -8.016 0.365 1.00 0.00 O ATOM 943 CB VAL A 53 -10.290 -6.300 -1.456 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.328 -7.706 -2.060 1.00 0.00 C ATOM 945 CG2 VAL A 53 -10.207 -5.269 -2.595 1.00 0.00 C ATOM 0 H VAL A 53 -10.638 -4.205 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.400 -6.064 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.406 -6.185 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.460 -7.849 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.312 -8.446 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.239 -7.825 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.332 -5.476 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.105 -5.332 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.125 -4.267 -2.174 1.00 0.00 H new ATOM 955 N ALA A 54 -10.838 -7.242 1.511 1.00 0.00 N ATOM 956 CA ALA A 54 -10.851 -8.185 2.617 1.00 0.00 C ATOM 957 C ALA A 54 -12.158 -8.156 3.418 1.00 0.00 C ATOM 958 O ALA A 54 -12.623 -9.221 3.829 1.00 0.00 O ATOM 959 CB ALA A 54 -9.652 -7.884 3.522 1.00 0.00 C ATOM 0 H ALA A 54 -10.079 -6.566 1.595 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.780 -9.192 2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.644 -8.582 4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.729 -7.991 2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.728 -6.865 3.900 1.00 0.00 H new ATOM 965 N ARG A 55 -12.765 -6.989 3.679 1.00 0.00 N ATOM 966 CA ARG A 55 -14.089 -6.953 4.314 1.00 0.00 C ATOM 967 C ARG A 55 -15.197 -7.386 3.347 1.00 0.00 C ATOM 968 O ARG A 55 -16.056 -8.163 3.745 1.00 0.00 O ATOM 969 CB ARG A 55 -14.356 -5.590 4.968 1.00 0.00 C ATOM 970 CG ARG A 55 -15.570 -5.686 5.916 1.00 0.00 C ATOM 971 CD ARG A 55 -16.764 -4.829 5.479 1.00 0.00 C ATOM 972 NE ARG A 55 -16.790 -3.550 6.210 1.00 0.00 N ATOM 973 CZ ARG A 55 -17.840 -2.758 6.379 1.00 0.00 C ATOM 974 NH1 ARG A 55 -18.978 -2.969 5.758 1.00 0.00 N ATOM 975 NH2 ARG A 55 -17.763 -1.740 7.204 1.00 0.00 N ATOM 0 H ARG A 55 -12.369 -6.074 3.465 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.095 -7.687 5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.476 -5.266 5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.543 -4.840 4.200 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.886 -6.727 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.263 -5.382 6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.707 -4.639 4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.692 -5.373 5.657 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.912 -3.243 6.628 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -19.073 -3.762 5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.766 -2.340 5.911 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.897 -1.560 7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.569 -1.129 7.336 1.00 0.00 H new ATOM 989 N LEU A 56 -15.132 -6.977 2.077 1.00 0.00 N ATOM 990 CA LEU A 56 -16.026 -7.436 1.008 1.00 0.00 C ATOM 991 C LEU A 56 -16.012 -8.975 0.861 1.00 0.00 C ATOM 992 O LEU A 56 -17.052 -9.611 0.719 1.00 0.00 O ATOM 993 CB LEU A 56 -15.612 -6.753 -0.315 1.00 0.00 C ATOM 994 CG LEU A 56 -16.620 -5.804 -0.987 1.00 0.00 C ATOM 995 CD1 LEU A 56 -18.034 -6.381 -1.073 1.00 0.00 C ATOM 996 CD2 LEU A 56 -16.648 -4.438 -0.299 1.00 0.00 C ATOM 0 H LEU A 56 -14.440 -6.301 1.755 1.00 0.00 H new ATOM 0 HA LEU A 56 -17.048 -7.158 1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.698 -6.190 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.363 -7.536 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 56 -16.265 -5.680 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.692 -5.660 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.016 -7.303 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.403 -6.592 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.371 -3.793 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.935 -4.562 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.659 -3.984 -0.352 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.831 -9.594 0.953 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.636 -11.052 0.932 1.00 0.00 C ATOM 1010 C ILE A 57 -15.373 -11.777 2.062 1.00 0.00 C ATOM 1011 O ILE A 57 -15.755 -12.929 1.874 1.00 0.00 O ATOM 1012 CB ILE A 57 -13.122 -11.360 0.923 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.633 -11.140 -0.519 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.736 -12.770 1.420 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -11.126 -10.973 -0.605 1.00 0.00 C ATOM 0 H ILE A 57 -13.955 -9.080 1.047 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.084 -11.442 0.018 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.640 -10.692 1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.937 -11.986 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.117 -10.255 -0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.653 -12.888 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.073 -12.898 2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.209 -13.521 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.836 -10.821 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.821 -10.110 -0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.638 -11.868 -0.219 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.630 -11.119 3.201 1.00 0.00 N ATOM 1028 CA GLN A 58 -16.476 -11.697 4.247 1.00 0.00 C ATOM 1029 C GLN A 58 -17.955 -11.807 3.835 1.00 0.00 C ATOM 1030 O GLN A 58 -18.696 -12.526 4.498 1.00 0.00 O ATOM 1031 CB GLN A 58 -16.314 -10.920 5.571 1.00 0.00 C ATOM 1032 CG GLN A 58 -15.559 -11.714 6.646 1.00 0.00 C ATOM 1033 CD GLN A 58 -16.270 -12.995 7.074 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -17.207 -12.980 7.851 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -15.815 -14.147 6.621 1.00 0.00 N ATOM 0 H GLN A 58 -15.265 -10.192 3.418 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.132 -12.720 4.401 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.783 -9.988 5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.300 -10.652 5.951 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.568 -11.967 6.269 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.415 -11.079 7.520 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.030 -14.165 5.970 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.248 -15.020 6.922 1.00 0.00 H new ATOM 1044 N GLU A 59 -18.389 -11.141 2.753 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.766 -11.216 2.257 1.00 0.00 C ATOM 1046 C GLU A 59 -19.960 -12.386 1.274 1.00 0.00 C ATOM 1047 O GLU A 59 -20.953 -13.101 1.384 1.00 0.00 O ATOM 1048 CB GLU A 59 -20.199 -9.867 1.643 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.887 -8.682 2.582 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.592 -7.372 2.213 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -20.741 -7.095 1.004 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -20.930 -6.620 3.156 1.00 0.00 O ATOM 0 H GLU A 59 -17.788 -10.533 2.197 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.417 -11.418 3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.688 -9.720 0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.268 -9.891 1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -20.169 -8.957 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.810 -8.512 2.585 1.00 0.00 H new ATOM 1059 N GLU A 60 -19.006 -12.621 0.356 1.00 0.00 N ATOM 1060 CA GLU A 60 -19.048 -13.750 -0.599 1.00 0.00 C ATOM 1061 C GLU A 60 -17.688 -14.387 -0.922 1.00 0.00 C ATOM 1062 O GLU A 60 -17.607 -15.601 -1.086 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.678 -13.313 -1.935 1.00 0.00 C ATOM 1064 CG GLU A 60 -21.212 -13.294 -1.907 1.00 0.00 C ATOM 1065 CD GLU A 60 -21.793 -13.061 -3.308 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -21.432 -13.838 -4.222 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -22.592 -12.110 -3.453 1.00 0.00 O ATOM 0 H GLU A 60 -18.179 -12.032 0.253 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.648 -14.501 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.314 -12.318 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -19.345 -13.988 -2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -21.582 -14.239 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.556 -12.509 -1.233 1.00 0.00 H new ATOM 1074 N GLY A 61 -16.630 -13.585 -1.090 1.00 0.00 N ATOM 1075 CA GLY A 61 -15.301 -14.056 -1.498 1.00 0.00 C ATOM 1076 C GLY A 61 -14.981 -13.833 -2.980 1.00 0.00 C ATOM 1077 O GLY A 61 -13.813 -13.653 -3.315 1.00 0.00 O ATOM 0 H GLY A 61 -16.673 -12.576 -0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.548 -13.549 -0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.222 -15.121 -1.277 1.00 0.00 H new ATOM 1081 N LEU A 62 -15.998 -13.731 -3.850 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.893 -13.278 -5.251 1.00 0.00 C ATOM 1083 C LEU A 62 -15.059 -11.989 -5.373 1.00 0.00 C ATOM 1084 O LEU A 62 -14.242 -11.856 -6.287 1.00 0.00 O ATOM 1085 CB LEU A 62 -17.327 -13.131 -5.811 1.00 0.00 C ATOM 1086 CG LEU A 62 -17.518 -12.197 -7.026 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.787 -12.668 -8.290 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -19.005 -12.080 -7.357 1.00 0.00 C ATOM 0 H LEU A 62 -16.955 -13.971 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.355 -14.014 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.685 -14.123 -6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.969 -12.774 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.090 -11.238 -6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.968 -11.961 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.717 -12.725 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -17.156 -13.652 -8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -19.136 -11.420 -8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -19.404 -13.066 -7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.538 -11.670 -6.499 1.00 0.00 H new ATOM 1100 N SER A 63 -15.196 -11.084 -4.397 1.00 0.00 N ATOM 1101 CA SER A 63 -14.397 -9.872 -4.247 1.00 0.00 C ATOM 1102 C SER A 63 -12.880 -10.076 -4.256 1.00 0.00 C ATOM 1103 O SER A 63 -12.191 -9.106 -4.552 1.00 0.00 O ATOM 1104 CB SER A 63 -14.828 -9.118 -2.998 1.00 0.00 C ATOM 1105 OG SER A 63 -16.101 -8.551 -3.221 1.00 0.00 O ATOM 0 H SER A 63 -15.896 -11.184 -3.662 1.00 0.00 H new ATOM 0 HA SER A 63 -14.598 -9.284 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.861 -9.793 -2.143 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.105 -8.338 -2.760 1.00 0.00 H new ATOM 0 HG SER A 63 -16.046 -7.577 -3.127 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.354 -11.297 -4.057 1.00 0.00 N ATOM 1112 CA VAL A 64 -10.974 -11.641 -4.434 1.00 0.00 C ATOM 1113 C VAL A 64 -10.697 -11.188 -5.866 1.00 0.00 C ATOM 1114 O VAL A 64 -9.845 -10.335 -6.069 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.680 -13.151 -4.254 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -9.448 -13.613 -5.047 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -10.454 -13.486 -2.776 1.00 0.00 C ATOM 0 H VAL A 64 -12.870 -12.068 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.299 -11.112 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.555 -13.676 -4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.289 -14.679 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.609 -13.428 -6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.571 -13.060 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.249 -14.551 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.606 -12.915 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.346 -13.230 -2.204 1.00 0.00 H new ATOM 1127 N SER A 65 -11.402 -11.741 -6.855 1.00 0.00 N ATOM 1128 CA SER A 65 -11.175 -11.367 -8.247 1.00 0.00 C ATOM 1129 C SER A 65 -11.903 -10.071 -8.596 1.00 0.00 C ATOM 1130 O SER A 65 -11.341 -9.229 -9.295 1.00 0.00 O ATOM 1131 CB SER A 65 -11.598 -12.507 -9.177 1.00 0.00 C ATOM 1132 OG SER A 65 -10.668 -12.607 -10.240 1.00 0.00 O ATOM 0 H SER A 65 -12.129 -12.443 -6.717 1.00 0.00 H new ATOM 0 HA SER A 65 -10.109 -11.188 -8.385 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.641 -13.446 -8.625 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.598 -12.321 -9.569 1.00 0.00 H new ATOM 0 HG SER A 65 -9.788 -12.850 -9.883 1.00 0.00 H new ATOM 1138 N GLU A 66 -13.134 -9.902 -8.097 1.00 0.00 N ATOM 1139 CA GLU A 66 -13.999 -8.780 -8.458 1.00 0.00 C ATOM 1140 C GLU A 66 -13.447 -7.447 -7.953 1.00 0.00 C ATOM 1141 O GLU A 66 -13.290 -6.525 -8.747 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.422 -9.003 -7.922 1.00 0.00 C ATOM 1143 CG GLU A 66 -16.478 -8.211 -8.701 1.00 0.00 C ATOM 1144 CD GLU A 66 -17.005 -9.012 -9.893 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -16.168 -9.381 -10.746 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -18.231 -9.253 -9.926 1.00 0.00 O ATOM 0 H GLU A 66 -13.557 -10.545 -7.428 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.031 -8.732 -9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.662 -10.065 -7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.459 -8.715 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.305 -7.954 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.047 -7.273 -9.052 1.00 0.00 H new ATOM 1153 N ALA A 67 -13.141 -7.319 -6.654 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.718 -6.039 -6.097 1.00 0.00 C ATOM 1155 C ALA A 67 -11.267 -5.690 -6.486 1.00 0.00 C ATOM 1156 O ALA A 67 -10.941 -4.509 -6.598 1.00 0.00 O ATOM 1157 CB ALA A 67 -12.957 -6.009 -4.589 1.00 0.00 C ATOM 0 H ALA A 67 -13.180 -8.083 -5.979 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.333 -5.254 -6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.636 -5.047 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -14.019 -6.151 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.387 -6.808 -4.114 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.425 -6.696 -6.786 1.00 0.00 N ATOM 1164 CA ILE A 68 -9.140 -6.485 -7.469 1.00 0.00 C ATOM 1165 C ILE A 68 -9.379 -5.948 -8.883 1.00 0.00 C ATOM 1166 O ILE A 68 -8.851 -4.891 -9.216 1.00 0.00 O ATOM 1167 CB ILE A 68 -8.244 -7.748 -7.451 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.794 -7.996 -5.995 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -7.013 -7.558 -8.361 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.948 -9.259 -5.773 1.00 0.00 C ATOM 0 H ILE A 68 -10.617 -7.672 -6.562 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.581 -5.731 -6.915 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.806 -8.603 -7.826 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.222 -7.132 -5.657 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.681 -8.058 -5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.398 -8.457 -8.333 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.342 -7.375 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.429 -6.708 -8.010 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.685 -9.340 -4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.520 -10.137 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.038 -9.197 -6.370 1.00 0.00 H new ATOM 1182 N ALA A 69 -10.180 -6.629 -9.717 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.497 -6.142 -11.060 1.00 0.00 C ATOM 1184 C ALA A 69 -11.126 -4.737 -11.033 1.00 0.00 C ATOM 1185 O ALA A 69 -10.721 -3.886 -11.823 1.00 0.00 O ATOM 1186 CB ALA A 69 -11.384 -7.161 -11.782 1.00 0.00 C ATOM 0 H ALA A 69 -10.618 -7.519 -9.481 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.567 -6.039 -11.620 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.618 -6.796 -12.782 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.858 -8.113 -11.858 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.308 -7.301 -11.221 1.00 0.00 H new ATOM 1192 N GLN A 70 -12.033 -4.466 -10.082 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.556 -3.133 -9.779 1.00 0.00 C ATOM 1194 C GLN A 70 -11.425 -2.147 -9.488 1.00 0.00 C ATOM 1195 O GLN A 70 -11.255 -1.231 -10.281 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.574 -3.157 -8.634 1.00 0.00 C ATOM 1197 CG GLN A 70 -14.929 -3.751 -9.055 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.852 -4.017 -7.865 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -15.743 -3.430 -6.800 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.804 -4.919 -7.999 1.00 0.00 N ATOM 0 H GLN A 70 -12.432 -5.192 -9.487 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.083 -2.790 -10.669 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.169 -3.738 -7.806 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.725 -2.142 -8.267 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.422 -3.067 -9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.761 -4.683 -9.594 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.911 -5.420 -8.881 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.433 -5.116 -7.221 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.623 -2.320 -8.424 1.00 0.00 N ATOM 1210 CA VAL A 71 -9.550 -1.361 -8.087 1.00 0.00 C ATOM 1211 C VAL A 71 -8.444 -1.270 -9.159 1.00 0.00 C ATOM 1212 O VAL A 71 -7.682 -0.308 -9.180 1.00 0.00 O ATOM 1213 CB VAL A 71 -8.992 -1.619 -6.669 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -7.866 -2.659 -6.623 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -8.504 -0.313 -6.032 1.00 0.00 C ATOM 0 H VAL A 71 -10.694 -3.110 -7.783 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.010 -0.373 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.826 -2.030 -6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.528 -2.784 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.235 -3.612 -7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.033 -2.321 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.115 -0.518 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.715 0.119 -6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.334 0.390 -5.961 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.358 -2.243 -10.080 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.527 -2.174 -11.288 1.00 0.00 C ATOM 1227 C LYS A 72 -8.153 -1.343 -12.419 1.00 0.00 C ATOM 1228 O LYS A 72 -7.398 -0.691 -13.137 1.00 0.00 O ATOM 1229 CB LYS A 72 -7.217 -3.594 -11.794 1.00 0.00 C ATOM 1230 CG LYS A 72 -6.279 -4.410 -10.881 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.865 -4.557 -11.460 1.00 0.00 C ATOM 1232 CE LYS A 72 -4.081 -3.240 -11.400 1.00 0.00 C ATOM 1233 NZ LYS A 72 -3.211 -3.067 -12.585 1.00 0.00 N ATOM 0 H LYS A 72 -8.876 -3.118 -10.002 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.608 -1.663 -11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.155 -4.138 -11.908 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.767 -3.523 -12.784 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.219 -3.927 -9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.706 -5.400 -10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.325 -5.326 -10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.930 -4.894 -12.495 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.778 -2.404 -11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.473 -3.219 -10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.697 -2.166 -12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.530 -3.851 -12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.794 -3.062 -13.446 1.00 0.00 H new ATOM 1247 N THR A 73 -9.481 -1.372 -12.614 1.00 0.00 N ATOM 1248 CA THR A 73 -10.173 -0.553 -13.634 1.00 0.00 C ATOM 1249 C THR A 73 -10.552 0.846 -13.123 1.00 0.00 C ATOM 1250 O THR A 73 -10.533 1.803 -13.892 1.00 0.00 O ATOM 1251 CB THR A 73 -11.382 -1.296 -14.246 1.00 0.00 C ATOM 1252 OG1 THR A 73 -11.834 -0.617 -15.395 1.00 0.00 O ATOM 1253 CG2 THR A 73 -12.602 -1.475 -13.342 1.00 0.00 C ATOM 0 H THR A 73 -10.110 -1.963 -12.071 1.00 0.00 H new ATOM 0 HA THR A 73 -9.453 -0.394 -14.437 1.00 0.00 H new ATOM 0 HB THR A 73 -10.986 -2.291 -14.448 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.599 -1.095 -15.778 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.382 -2.010 -13.885 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.319 -2.046 -12.458 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.976 -0.497 -13.038 1.00 0.00 H new ATOM 1261 N GLU A 74 -10.844 0.977 -11.827 1.00 0.00 N ATOM 1262 CA GLU A 74 -11.073 2.214 -11.085 1.00 0.00 C ATOM 1263 C GLU A 74 -9.751 2.985 -10.923 1.00 0.00 C ATOM 1264 O GLU A 74 -8.864 2.520 -10.204 1.00 0.00 O ATOM 1265 CB GLU A 74 -11.679 1.851 -9.716 1.00 0.00 C ATOM 1266 CG GLU A 74 -11.918 3.047 -8.785 1.00 0.00 C ATOM 1267 CD GLU A 74 -12.668 2.604 -7.522 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -12.081 1.823 -6.738 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -13.831 3.038 -7.360 1.00 0.00 O ATOM 0 H GLU A 74 -10.933 0.158 -11.226 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.765 2.860 -11.625 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.627 1.338 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.016 1.145 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.964 3.497 -8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.493 3.812 -9.307 1.00 0.00 H new ATOM 1276 N PRO A 75 -9.575 4.157 -11.561 1.00 0.00 N ATOM 1277 CA PRO A 75 -8.405 4.985 -11.311 1.00 0.00 C ATOM 1278 C PRO A 75 -8.489 5.565 -9.885 1.00 0.00 C ATOM 1279 O PRO A 75 -9.512 6.162 -9.545 1.00 0.00 O ATOM 1280 CB PRO A 75 -8.441 6.071 -12.391 1.00 0.00 C ATOM 1281 CG PRO A 75 -9.925 6.215 -12.729 1.00 0.00 C ATOM 1282 CD PRO A 75 -10.501 4.823 -12.468 1.00 0.00 C ATOM 0 HA PRO A 75 -7.465 4.435 -11.362 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.023 7.009 -12.026 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -7.859 5.782 -13.266 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.405 6.969 -12.105 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.071 6.519 -13.766 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -11.495 4.891 -12.027 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.603 4.264 -13.398 1.00 0.00 H new ATOM 1290 N PRO A 76 -7.437 5.460 -9.044 1.00 0.00 N ATOM 1291 CA PRO A 76 -7.408 6.039 -7.693 1.00 0.00 C ATOM 1292 C PRO A 76 -7.232 7.577 -7.714 1.00 0.00 C ATOM 1293 O PRO A 76 -6.402 8.144 -7.006 1.00 0.00 O ATOM 1294 CB PRO A 76 -6.287 5.277 -6.970 1.00 0.00 C ATOM 1295 CG PRO A 76 -5.303 4.964 -8.093 1.00 0.00 C ATOM 1296 CD PRO A 76 -6.221 4.696 -9.285 1.00 0.00 C ATOM 0 HA PRO A 76 -8.353 5.920 -7.163 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.828 5.882 -6.188 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.658 4.369 -6.494 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.627 5.798 -8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.683 4.099 -7.858 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.747 5.003 -10.217 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.441 3.632 -9.375 1.00 0.00 H new ATOM 1304 N ARG A 77 -8.027 8.254 -8.552 1.00 0.00 N ATOM 1305 CA ARG A 77 -8.200 9.703 -8.651 1.00 0.00 C ATOM 1306 C ARG A 77 -9.579 10.005 -9.247 1.00 0.00 C ATOM 1307 O ARG A 77 -9.837 9.659 -10.398 1.00 0.00 O ATOM 1308 CB ARG A 77 -7.087 10.344 -9.513 1.00 0.00 C ATOM 1309 CG ARG A 77 -6.174 11.249 -8.669 1.00 0.00 C ATOM 1310 CD ARG A 77 -5.513 12.356 -9.499 1.00 0.00 C ATOM 1311 NE ARG A 77 -4.466 11.852 -10.409 1.00 0.00 N ATOM 1312 CZ ARG A 77 -3.738 12.595 -11.235 1.00 0.00 C ATOM 1313 NH1 ARG A 77 -3.952 13.883 -11.374 1.00 0.00 N ATOM 1314 NH2 ARG A 77 -2.767 12.056 -11.936 1.00 0.00 N ATOM 0 H ARG A 77 -8.610 7.762 -9.229 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.129 10.134 -7.652 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.492 9.561 -9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.537 10.927 -10.316 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.757 11.700 -7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.401 10.642 -8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.277 12.869 -10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.076 13.094 -8.826 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.286 10.848 -10.403 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.693 14.337 -10.840 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.377 14.429 -12.016 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.567 11.060 -11.848 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.213 12.634 -12.568 1.00 0.00 H new ATOM 1328 N GLU A 78 -10.434 10.650 -8.451 1.00 0.00 N ATOM 1329 CA GLU A 78 -11.615 11.401 -8.905 1.00 0.00 C ATOM 1330 C GLU A 78 -11.175 12.832 -9.261 1.00 0.00 C ATOM 1331 O GLU A 78 -10.512 13.454 -8.398 1.00 0.00 O ATOM 1332 CB GLU A 78 -12.696 11.363 -7.799 1.00 0.00 C ATOM 1333 CG GLU A 78 -14.107 10.994 -8.290 1.00 0.00 C ATOM 1334 CD GLU A 78 -14.834 12.115 -9.049 1.00 0.00 C ATOM 1335 OE1 GLU A 78 -15.154 13.140 -8.402 1.00 0.00 O ATOM 1336 OE2 GLU A 78 -15.143 11.899 -10.244 1.00 0.00 O ATOM 1337 OXT GLU A 78 -11.419 13.241 -10.414 1.00 0.00 O ATOM 0 H GLU A 78 -10.323 10.667 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.054 10.956 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.392 10.645 -7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.738 12.340 -7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.035 10.121 -8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.712 10.703 -7.431 1.00 0.00 H new TER 1344 GLU A 78