USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0 (180deg=-0.0972) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0834 USER MOD Single : A 6 SER OG : rot -61:sc= 1.21 USER MOD Single : A 9 THR OG1 : rot -66:sc= 1.12 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 62:sc= 1.25 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.2!) USER MOD Single : A 46 LYS NZ :NH3+ -151:sc= -0.0368 (180deg=-0.436) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.695 21.383 -23.330 1.00 0.00 N ATOM 2 CA MET A 1 2.526 21.553 -22.105 1.00 0.00 C ATOM 3 C MET A 1 2.711 23.040 -21.823 1.00 0.00 C ATOM 4 O MET A 1 3.807 23.486 -21.488 1.00 0.00 O ATOM 5 CB MET A 1 3.887 20.890 -22.318 1.00 0.00 C ATOM 6 CG MET A 1 4.616 20.771 -20.978 1.00 0.00 C ATOM 7 SD MET A 1 4.622 19.041 -20.445 1.00 0.00 S ATOM 8 CE MET A 1 5.353 19.309 -18.813 1.00 0.00 C ATOM 0 H1 MET A 1 1.707 20.385 -23.622 1.00 0.00 H new ATOM 0 H2 MET A 1 0.717 21.673 -23.129 1.00 0.00 H new ATOM 0 H3 MET A 1 2.080 21.972 -24.095 1.00 0.00 H new ATOM 0 HA MET A 1 2.029 21.085 -21.255 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.756 19.903 -22.761 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.483 21.477 -23.017 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.638 21.136 -21.075 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.125 21.392 -20.229 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.451 18.354 -18.297 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.337 19.763 -18.925 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.712 19.971 -18.231 1.00 0.00 H new ATOM 20 N SER A 2 1.630 23.802 -21.958 1.00 0.00 N ATOM 21 CA SER A 2 1.684 25.239 -21.716 1.00 0.00 C ATOM 22 C SER A 2 1.440 25.545 -20.241 1.00 0.00 C ATOM 23 O SER A 2 1.744 26.639 -19.766 1.00 0.00 O ATOM 24 CB SER A 2 0.635 25.952 -22.566 1.00 0.00 C ATOM 25 OG SER A 2 -0.485 25.095 -22.747 1.00 0.00 O ATOM 0 H SER A 2 0.712 23.451 -22.232 1.00 0.00 H new ATOM 0 HA SER A 2 2.677 25.596 -21.990 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.325 26.877 -22.081 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.058 26.225 -23.533 1.00 0.00 H new ATOM 0 HG SER A 2 -1.161 25.551 -23.291 1.00 0.00 H new ATOM 31 N GLU A 3 0.889 24.570 -19.524 1.00 0.00 N ATOM 32 CA GLU A 3 0.608 24.743 -18.103 1.00 0.00 C ATOM 33 C GLU A 3 1.026 23.505 -17.320 1.00 0.00 C ATOM 34 O GLU A 3 0.184 22.749 -16.834 1.00 0.00 O ATOM 35 CB GLU A 3 -0.885 25.002 -17.895 1.00 0.00 C ATOM 36 CG GLU A 3 -1.189 26.480 -18.151 1.00 0.00 C ATOM 37 CD GLU A 3 -0.831 27.306 -16.920 1.00 0.00 C ATOM 38 OE1 GLU A 3 -1.528 27.184 -15.926 1.00 0.00 O ATOM 39 OE2 GLU A 3 0.133 28.049 -16.989 1.00 0.00 O ATOM 0 H GLU A 3 0.630 23.658 -19.900 1.00 0.00 H new ATOM 0 HA GLU A 3 1.179 25.597 -17.740 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -1.470 24.378 -18.570 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -1.174 24.731 -16.879 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.623 26.832 -19.013 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.245 26.607 -18.390 1.00 0.00 H new ATOM 46 N PRO A 4 2.307 23.287 -17.194 1.00 0.00 N ATOM 47 CA PRO A 4 2.859 22.114 -16.455 1.00 0.00 C ATOM 48 C PRO A 4 2.222 21.950 -15.078 1.00 0.00 C ATOM 49 O PRO A 4 2.213 20.854 -14.516 1.00 0.00 O ATOM 50 CB PRO A 4 4.352 22.431 -16.333 1.00 0.00 C ATOM 51 CG PRO A 4 4.653 23.358 -17.464 1.00 0.00 C ATOM 52 CD PRO A 4 3.371 24.140 -17.744 1.00 0.00 C ATOM 0 HA PRO A 4 2.660 21.175 -16.971 1.00 0.00 H new ATOM 0 HB2 PRO A 4 4.578 22.896 -15.373 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.953 21.524 -16.398 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.469 24.033 -17.205 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.968 22.802 -18.347 1.00 0.00 H new ATOM 0 HD2 PRO A 4 3.387 25.118 -17.263 1.00 0.00 H new ATOM 0 HD3 PRO A 4 3.233 24.312 -18.812 1.00 0.00 H new ATOM 60 N VAL A 5 1.691 23.043 -14.543 1.00 0.00 N ATOM 61 CA VAL A 5 1.054 23.007 -13.231 1.00 0.00 C ATOM 62 C VAL A 5 -0.372 22.479 -13.344 1.00 0.00 C ATOM 63 O VAL A 5 -1.034 22.666 -14.365 1.00 0.00 O ATOM 64 CB VAL A 5 1.032 24.411 -12.623 1.00 0.00 C ATOM 65 CG1 VAL A 5 2.305 24.630 -11.801 1.00 0.00 C ATOM 66 CG2 VAL A 5 0.966 25.450 -13.745 1.00 0.00 C ATOM 0 H VAL A 5 1.688 23.959 -14.993 1.00 0.00 H new ATOM 0 HA VAL A 5 1.628 22.341 -12.587 1.00 0.00 H new ATOM 0 HB VAL A 5 0.160 24.515 -11.978 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.291 25.630 -11.367 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.355 23.889 -11.003 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.177 24.527 -12.447 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.950 26.451 -13.314 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.839 25.346 -14.389 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.061 25.294 -14.333 1.00 0.00 H new ATOM 76 N SER A 6 -0.839 21.821 -12.287 1.00 0.00 N ATOM 77 CA SER A 6 -2.189 21.268 -12.276 1.00 0.00 C ATOM 78 C SER A 6 -3.112 22.126 -11.417 1.00 0.00 C ATOM 79 O SER A 6 -4.057 21.623 -10.810 1.00 0.00 O ATOM 80 CB SER A 6 -2.165 19.840 -11.733 1.00 0.00 C ATOM 81 OG SER A 6 -3.497 19.361 -11.612 1.00 0.00 O ATOM 0 H SER A 6 -0.306 21.658 -11.432 1.00 0.00 H new ATOM 0 HA SER A 6 -2.566 21.260 -13.299 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.594 19.195 -12.400 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.668 19.816 -10.763 1.00 0.00 H new ATOM 0 HG SER A 6 -3.993 19.929 -10.986 1.00 0.00 H new ATOM 87 N LEU A 7 -2.828 23.423 -11.366 1.00 0.00 N ATOM 88 CA LEU A 7 -3.638 24.342 -10.574 1.00 0.00 C ATOM 89 C LEU A 7 -4.863 24.791 -11.363 1.00 0.00 C ATOM 90 O LEU A 7 -4.810 25.768 -12.110 1.00 0.00 O ATOM 91 CB LEU A 7 -2.807 25.565 -10.180 1.00 0.00 C ATOM 92 CG LEU A 7 -2.342 25.425 -8.727 1.00 0.00 C ATOM 93 CD1 LEU A 7 -1.490 24.163 -8.584 1.00 0.00 C ATOM 94 CD2 LEU A 7 -1.507 26.648 -8.341 1.00 0.00 C ATOM 0 H LEU A 7 -2.049 23.859 -11.860 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.968 23.823 -9.675 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.945 25.660 -10.841 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.399 26.473 -10.297 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.210 25.354 -8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.159 24.063 -7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.082 23.291 -8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.621 24.235 -9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.175 26.550 -7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.639 26.717 -8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.112 27.549 -8.444 1.00 0.00 H new ATOM 106 N LEU A 8 -5.966 24.069 -11.191 1.00 0.00 N ATOM 107 CA LEU A 8 -7.202 24.400 -11.891 1.00 0.00 C ATOM 108 C LEU A 8 -8.177 25.106 -10.955 1.00 0.00 C ATOM 109 O LEU A 8 -8.723 26.156 -11.292 1.00 0.00 O ATOM 110 CB LEU A 8 -7.850 23.128 -12.438 1.00 0.00 C ATOM 111 CG LEU A 8 -6.941 22.511 -13.504 1.00 0.00 C ATOM 112 CD1 LEU A 8 -6.993 20.986 -13.399 1.00 0.00 C ATOM 113 CD2 LEU A 8 -7.413 22.943 -14.896 1.00 0.00 C ATOM 0 H LEU A 8 -6.029 23.257 -10.577 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.960 25.069 -12.717 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.017 22.416 -11.630 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.826 23.359 -12.866 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.918 22.852 -13.347 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.346 20.547 -14.158 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.654 20.678 -12.410 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.017 20.645 -13.554 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.764 22.502 -15.653 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.437 22.605 -15.054 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.374 24.030 -14.972 1.00 0.00 H new ATOM 125 N THR A 9 -8.390 24.522 -9.779 1.00 0.00 N ATOM 126 CA THR A 9 -9.300 25.104 -8.800 1.00 0.00 C ATOM 127 C THR A 9 -8.664 25.103 -7.412 1.00 0.00 C ATOM 128 O THR A 9 -9.009 24.284 -6.560 1.00 0.00 O ATOM 129 CB THR A 9 -10.606 24.309 -8.764 1.00 0.00 C ATOM 130 OG1 THR A 9 -11.198 24.433 -7.479 1.00 0.00 O ATOM 131 CG2 THR A 9 -10.319 22.837 -9.055 1.00 0.00 C ATOM 0 H THR A 9 -7.948 23.652 -9.483 1.00 0.00 H new ATOM 0 HA THR A 9 -9.509 26.133 -9.092 1.00 0.00 H new ATOM 0 HB THR A 9 -11.289 24.699 -9.519 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.628 23.995 -6.813 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.251 22.272 -9.029 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.865 22.743 -10.042 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.635 22.444 -8.302 1.00 0.00 H new ATOM 139 N PRO A 10 -7.745 26.002 -7.180 1.00 0.00 N ATOM 140 CA PRO A 10 -7.040 26.119 -5.870 1.00 0.00 C ATOM 141 C PRO A 10 -8.014 26.193 -4.698 1.00 0.00 C ATOM 142 O PRO A 10 -7.654 25.900 -3.558 1.00 0.00 O ATOM 143 CB PRO A 10 -6.239 27.417 -6.000 1.00 0.00 C ATOM 144 CG PRO A 10 -6.057 27.626 -7.465 1.00 0.00 C ATOM 145 CD PRO A 10 -7.276 27.007 -8.145 1.00 0.00 C ATOM 0 HA PRO A 10 -6.416 25.250 -5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.771 28.254 -5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.278 27.338 -5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.980 28.688 -7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.138 27.155 -7.813 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.043 27.754 -8.348 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.013 26.552 -9.100 1.00 0.00 H new ATOM 153 N SER A 11 -9.250 26.589 -4.986 1.00 0.00 N ATOM 154 CA SER A 11 -10.268 26.698 -3.948 1.00 0.00 C ATOM 155 C SER A 11 -10.261 25.462 -3.057 1.00 0.00 C ATOM 156 O SER A 11 -10.621 25.529 -1.882 1.00 0.00 O ATOM 157 CB SER A 11 -11.648 26.860 -4.586 1.00 0.00 C ATOM 158 OG SER A 11 -12.516 25.848 -4.090 1.00 0.00 O ATOM 0 H SER A 11 -9.569 26.838 -5.922 1.00 0.00 H new ATOM 0 HA SER A 11 -10.044 27.573 -3.337 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.053 27.846 -4.359 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.571 26.789 -5.671 1.00 0.00 H new ATOM 0 HG SER A 11 -13.402 25.950 -4.496 1.00 0.00 H new ATOM 164 N ASP A 12 -9.850 24.332 -3.623 1.00 0.00 N ATOM 165 CA ASP A 12 -9.799 23.086 -2.870 1.00 0.00 C ATOM 166 C ASP A 12 -8.543 22.297 -3.217 1.00 0.00 C ATOM 167 O ASP A 12 -7.942 21.659 -2.354 1.00 0.00 O ATOM 168 CB ASP A 12 -11.036 22.239 -3.178 1.00 0.00 C ATOM 169 CG ASP A 12 -12.153 22.572 -2.196 1.00 0.00 C ATOM 170 OD1 ASP A 12 -12.151 23.676 -1.677 1.00 0.00 O ATOM 171 OD2 ASP A 12 -12.995 21.716 -1.974 1.00 0.00 O ATOM 0 H ASP A 12 -9.549 24.254 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.778 23.329 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.370 22.426 -4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.787 21.180 -3.113 1.00 0.00 H new ATOM 176 N LEU A 13 -8.153 22.344 -4.489 1.00 0.00 N ATOM 177 CA LEU A 13 -6.967 21.628 -4.941 1.00 0.00 C ATOM 178 C LEU A 13 -5.754 22.020 -4.105 1.00 0.00 C ATOM 179 O LEU A 13 -4.960 22.871 -4.508 1.00 0.00 O ATOM 180 CB LEU A 13 -6.701 21.945 -6.414 1.00 0.00 C ATOM 181 CG LEU A 13 -5.853 20.829 -7.032 1.00 0.00 C ATOM 182 CD1 LEU A 13 -6.766 19.808 -7.718 1.00 0.00 C ATOM 183 CD2 LEU A 13 -4.889 21.424 -8.063 1.00 0.00 C ATOM 0 H LEU A 13 -8.638 22.867 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.141 20.558 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.644 22.040 -6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.185 22.901 -6.504 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.283 20.335 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.160 19.015 -8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.448 19.379 -6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.340 20.302 -8.502 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.287 20.627 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.458 21.922 -8.848 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.235 22.146 -7.575 1.00 0.00 H new ATOM 195 N ASP A 14 -5.619 21.395 -2.939 1.00 0.00 N ATOM 196 CA ASP A 14 -4.501 21.688 -2.053 1.00 0.00 C ATOM 197 C ASP A 14 -3.560 20.488 -1.961 1.00 0.00 C ATOM 198 O ASP A 14 -3.950 19.356 -2.249 1.00 0.00 O ATOM 199 CB ASP A 14 -5.018 22.045 -0.657 1.00 0.00 C ATOM 200 CG ASP A 14 -4.884 23.544 -0.419 1.00 0.00 C ATOM 201 OD1 ASP A 14 -5.582 24.291 -1.085 1.00 0.00 O ATOM 202 OD2 ASP A 14 -4.086 23.924 0.421 1.00 0.00 O ATOM 0 H ASP A 14 -6.265 20.688 -2.589 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.951 22.535 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.061 21.745 -0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.456 21.497 0.099 1.00 0.00 H new ATOM 207 N PRO A 15 -2.335 20.717 -1.564 1.00 0.00 N ATOM 208 CA PRO A 15 -1.317 19.636 -1.428 1.00 0.00 C ATOM 209 C PRO A 15 -1.653 18.670 -0.294 1.00 0.00 C ATOM 210 O PRO A 15 -1.289 17.494 -0.342 1.00 0.00 O ATOM 211 CB PRO A 15 -0.017 20.392 -1.134 1.00 0.00 C ATOM 212 CG PRO A 15 -0.441 21.703 -0.567 1.00 0.00 C ATOM 213 CD PRO A 15 -1.784 22.032 -1.204 1.00 0.00 C ATOM 0 HA PRO A 15 -1.259 19.015 -2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.606 19.842 -0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.572 20.528 -2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.529 21.647 0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.294 22.477 -0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.436 22.562 -0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.665 22.669 -2.080 1.00 0.00 H new ATOM 221 N LEU A 16 -2.347 19.174 0.722 1.00 0.00 N ATOM 222 CA LEU A 16 -2.724 18.347 1.862 1.00 0.00 C ATOM 223 C LEU A 16 -3.653 17.220 1.422 1.00 0.00 C ATOM 224 O LEU A 16 -3.471 16.064 1.805 1.00 0.00 O ATOM 225 CB LEU A 16 -3.422 19.205 2.920 1.00 0.00 C ATOM 226 CG LEU A 16 -2.382 20.040 3.669 1.00 0.00 C ATOM 227 CD1 LEU A 16 -2.935 21.446 3.913 1.00 0.00 C ATOM 228 CD2 LEU A 16 -2.068 19.378 5.012 1.00 0.00 C ATOM 0 H LEU A 16 -2.658 20.144 0.779 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.820 17.911 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.156 19.858 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.965 18.569 3.619 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.472 20.105 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.194 22.041 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.160 21.919 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.845 21.381 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.327 19.973 5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.979 19.313 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.674 18.376 4.841 1.00 0.00 H new ATOM 240 N ILE A 17 -4.651 17.565 0.615 1.00 0.00 N ATOM 241 CA ILE A 17 -5.603 16.574 0.128 1.00 0.00 C ATOM 242 C ILE A 17 -4.945 15.660 -0.900 1.00 0.00 C ATOM 243 O ILE A 17 -5.252 14.470 -0.970 1.00 0.00 O ATOM 244 CB ILE A 17 -6.808 17.272 -0.502 1.00 0.00 C ATOM 245 CG1 ILE A 17 -7.268 18.412 0.410 1.00 0.00 C ATOM 246 CG2 ILE A 17 -7.949 16.268 -0.674 1.00 0.00 C ATOM 247 CD1 ILE A 17 -8.542 19.038 -0.159 1.00 0.00 C ATOM 0 H ILE A 17 -4.821 18.516 0.287 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.936 15.971 0.973 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.527 17.673 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.453 18.035 1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.485 19.166 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.808 16.767 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.623 15.454 -1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.231 15.867 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.870 19.850 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.341 19.429 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.325 18.281 -0.217 1.00 0.00 H new ATOM 259 N LEU A 18 -4.041 16.224 -1.693 1.00 0.00 N ATOM 260 CA LEU A 18 -3.345 15.450 -2.714 1.00 0.00 C ATOM 261 C LEU A 18 -2.522 14.335 -2.074 1.00 0.00 C ATOM 262 O LEU A 18 -2.540 13.194 -2.535 1.00 0.00 O ATOM 263 CB LEU A 18 -2.425 16.361 -3.527 1.00 0.00 C ATOM 264 CG LEU A 18 -2.097 15.698 -4.866 1.00 0.00 C ATOM 265 CD1 LEU A 18 -3.016 16.257 -5.953 1.00 0.00 C ATOM 266 CD2 LEU A 18 -0.639 15.988 -5.234 1.00 0.00 C ATOM 0 H LEU A 18 -3.774 17.208 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.090 15.005 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.907 17.324 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.507 16.556 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.246 14.621 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.781 15.784 -6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.054 16.052 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.868 17.334 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.404 15.516 -6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.492 17.065 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.018 15.590 -4.461 1.00 0.00 H new ATOM 278 N THR A 19 -1.802 14.675 -1.009 1.00 0.00 N ATOM 279 CA THR A 19 -0.977 13.694 -0.314 1.00 0.00 C ATOM 280 C THR A 19 -1.848 12.606 0.303 1.00 0.00 C ATOM 281 O THR A 19 -1.529 11.419 0.218 1.00 0.00 O ATOM 282 CB THR A 19 -0.160 14.382 0.782 1.00 0.00 C ATOM 283 OG1 THR A 19 0.436 15.560 0.257 1.00 0.00 O ATOM 284 CG2 THR A 19 0.931 13.434 1.279 1.00 0.00 C ATOM 0 H THR A 19 -1.773 15.614 -0.612 1.00 0.00 H new ATOM 0 HA THR A 19 -0.301 13.236 -1.036 1.00 0.00 H new ATOM 0 HB THR A 19 -0.815 14.645 1.613 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.177 16.316 0.373 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.512 13.925 2.059 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.472 12.531 1.682 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.588 13.169 0.450 1.00 0.00 H new ATOM 292 N LEU A 20 -2.947 13.018 0.925 1.00 0.00 N ATOM 293 CA LEU A 20 -3.855 12.067 1.555 1.00 0.00 C ATOM 294 C LEU A 20 -4.332 11.031 0.543 1.00 0.00 C ATOM 295 O LEU A 20 -4.351 9.832 0.830 1.00 0.00 O ATOM 296 CB LEU A 20 -5.064 12.805 2.139 1.00 0.00 C ATOM 297 CG LEU A 20 -5.087 12.635 3.660 1.00 0.00 C ATOM 298 CD1 LEU A 20 -3.869 13.334 4.269 1.00 0.00 C ATOM 299 CD2 LEU A 20 -6.366 13.260 4.222 1.00 0.00 C ATOM 0 H LEU A 20 -3.229 13.995 1.006 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.318 11.558 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.015 13.863 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.985 12.414 1.706 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.060 11.574 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.884 13.214 5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.957 12.892 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.897 14.395 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.384 13.140 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.392 14.321 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.234 12.765 3.787 1.00 0.00 H new ATOM 311 N SER A 21 -4.716 11.498 -0.641 1.00 0.00 N ATOM 312 CA SER A 21 -5.190 10.603 -1.687 1.00 0.00 C ATOM 313 C SER A 21 -4.088 9.634 -2.102 1.00 0.00 C ATOM 314 O SER A 21 -4.328 8.438 -2.265 1.00 0.00 O ATOM 315 CB SER A 21 -5.644 11.414 -2.901 1.00 0.00 C ATOM 316 OG SER A 21 -6.995 11.816 -2.720 1.00 0.00 O ATOM 0 H SER A 21 -4.708 12.485 -0.898 1.00 0.00 H new ATOM 0 HA SER A 21 -6.032 10.031 -1.297 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.006 12.289 -3.027 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.549 10.817 -3.808 1.00 0.00 H new ATOM 0 HG SER A 21 -7.288 12.338 -3.496 1.00 0.00 H new ATOM 322 N LEU A 22 -2.880 10.159 -2.271 1.00 0.00 N ATOM 323 CA LEU A 22 -1.746 9.332 -2.667 1.00 0.00 C ATOM 324 C LEU A 22 -1.559 8.179 -1.688 1.00 0.00 C ATOM 325 O LEU A 22 -1.343 7.035 -2.091 1.00 0.00 O ATOM 326 CB LEU A 22 -0.471 10.178 -2.712 1.00 0.00 C ATOM 327 CG LEU A 22 -0.006 10.322 -4.161 1.00 0.00 C ATOM 328 CD1 LEU A 22 -1.095 11.015 -4.982 1.00 0.00 C ATOM 329 CD2 LEU A 22 1.273 11.162 -4.204 1.00 0.00 C ATOM 0 H LEU A 22 -2.661 11.147 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.945 8.925 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.658 11.161 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.310 9.710 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 22 0.191 9.334 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.762 11.117 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.008 10.420 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.292 12.003 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.606 11.265 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.074 12.149 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.051 10.671 -3.620 1.00 0.00 H new ATOM 341 N ILE A 23 -1.641 8.485 -0.399 1.00 0.00 N ATOM 342 CA ILE A 23 -1.476 7.462 0.627 1.00 0.00 C ATOM 343 C ILE A 23 -2.601 6.437 0.549 1.00 0.00 C ATOM 344 O ILE A 23 -2.359 5.230 0.581 1.00 0.00 O ATOM 345 CB ILE A 23 -1.462 8.108 2.016 1.00 0.00 C ATOM 346 CG1 ILE A 23 -0.067 8.680 2.300 1.00 0.00 C ATOM 347 CG2 ILE A 23 -1.819 7.061 3.079 1.00 0.00 C ATOM 348 CD1 ILE A 23 0.834 7.600 2.911 1.00 0.00 C ATOM 0 H ILE A 23 -1.819 9.423 -0.041 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.527 6.954 0.456 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.196 8.913 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.376 9.054 1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.145 9.527 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.808 7.525 4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.813 6.662 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.090 6.251 3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.821 8.018 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.397 7.247 3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.926 6.766 2.215 1.00 0.00 H new ATOM 360 N LEU A 24 -3.831 6.926 0.447 1.00 0.00 N ATOM 361 CA LEU A 24 -4.988 6.043 0.365 1.00 0.00 C ATOM 362 C LEU A 24 -4.828 5.063 -0.791 1.00 0.00 C ATOM 363 O LEU A 24 -5.156 3.885 -0.669 1.00 0.00 O ATOM 364 CB LEU A 24 -6.261 6.870 0.172 1.00 0.00 C ATOM 365 CG LEU A 24 -7.128 6.780 1.430 1.00 0.00 C ATOM 366 CD1 LEU A 24 -6.344 7.310 2.633 1.00 0.00 C ATOM 367 CD2 LEU A 24 -8.392 7.623 1.239 1.00 0.00 C ATOM 0 H LEU A 24 -4.052 7.921 0.419 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.063 5.479 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.004 7.910 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.817 6.505 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.404 5.740 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.963 7.245 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.442 6.713 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.067 8.350 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.010 7.560 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.113 8.662 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.953 7.248 0.383 1.00 0.00 H new ATOM 379 N VAL A 25 -4.318 5.560 -1.912 1.00 0.00 N ATOM 380 CA VAL A 25 -4.118 4.718 -3.086 1.00 0.00 C ATOM 381 C VAL A 25 -3.055 3.660 -2.808 1.00 0.00 C ATOM 382 O VAL A 25 -3.221 2.492 -3.156 1.00 0.00 O ATOM 383 CB VAL A 25 -3.687 5.575 -4.275 1.00 0.00 C ATOM 384 CG1 VAL A 25 -3.398 4.674 -5.477 1.00 0.00 C ATOM 385 CG2 VAL A 25 -4.808 6.556 -4.633 1.00 0.00 C ATOM 0 H VAL A 25 -4.037 6.533 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.059 4.221 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.787 6.131 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.091 5.286 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.600 3.976 -5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.298 4.117 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.500 7.167 -5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.708 6.000 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.015 7.200 -3.778 1.00 0.00 H new ATOM 395 N VAL A 26 -1.962 4.079 -2.179 1.00 0.00 N ATOM 396 CA VAL A 26 -0.876 3.157 -1.860 1.00 0.00 C ATOM 397 C VAL A 26 -1.391 1.982 -1.035 1.00 0.00 C ATOM 398 O VAL A 26 -1.007 0.835 -1.265 1.00 0.00 O ATOM 399 CB VAL A 26 0.218 3.888 -1.082 1.00 0.00 C ATOM 400 CG1 VAL A 26 1.346 2.911 -0.744 1.00 0.00 C ATOM 401 CG2 VAL A 26 0.773 5.032 -1.934 1.00 0.00 C ATOM 0 H VAL A 26 -1.804 5.042 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.465 2.775 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.201 4.291 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.126 3.433 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.952 2.096 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.765 2.506 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.553 5.553 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.191 4.629 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.030 5.729 -2.174 1.00 0.00 H new ATOM 411 N ILE A 27 -2.262 2.276 -0.076 1.00 0.00 N ATOM 412 CA ILE A 27 -2.823 1.235 0.777 1.00 0.00 C ATOM 413 C ILE A 27 -3.745 0.321 -0.026 1.00 0.00 C ATOM 414 O ILE A 27 -3.722 -0.897 0.137 1.00 0.00 O ATOM 415 CB ILE A 27 -3.606 1.869 1.928 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.626 2.507 2.917 1.00 0.00 C ATOM 417 CG2 ILE A 27 -4.423 0.794 2.646 1.00 0.00 C ATOM 418 CD1 ILE A 27 -3.278 3.731 3.563 1.00 0.00 C ATOM 0 H ILE A 27 -2.593 3.219 0.129 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.003 0.641 1.179 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.278 2.631 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.344 1.785 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.711 2.799 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.980 1.247 3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.119 0.336 1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.753 0.031 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.581 4.185 4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.538 4.455 2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.181 3.426 4.092 1.00 0.00 H new ATOM 430 N LEU A 28 -4.555 0.920 -0.893 1.00 0.00 N ATOM 431 CA LEU A 28 -5.480 0.148 -1.714 1.00 0.00 C ATOM 432 C LEU A 28 -4.718 -0.798 -2.638 1.00 0.00 C ATOM 433 O LEU A 28 -5.153 -1.924 -2.881 1.00 0.00 O ATOM 434 CB LEU A 28 -6.348 1.092 -2.548 1.00 0.00 C ATOM 435 CG LEU A 28 -7.781 1.078 -2.009 1.00 0.00 C ATOM 436 CD1 LEU A 28 -7.778 1.515 -0.543 1.00 0.00 C ATOM 437 CD2 LEU A 28 -8.641 2.042 -2.827 1.00 0.00 C ATOM 0 H LEU A 28 -4.590 1.928 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.116 -0.443 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.944 2.104 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.338 0.784 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.190 0.071 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.798 1.505 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.164 0.829 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.370 2.523 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.662 2.033 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.233 3.050 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.642 1.731 -3.872 1.00 0.00 H new ATOM 449 N VAL A 29 -3.581 -0.331 -3.145 1.00 0.00 N ATOM 450 CA VAL A 29 -2.765 -1.143 -4.040 1.00 0.00 C ATOM 451 C VAL A 29 -2.239 -2.377 -3.315 1.00 0.00 C ATOM 452 O VAL A 29 -2.280 -3.487 -3.846 1.00 0.00 O ATOM 453 CB VAL A 29 -1.589 -0.319 -4.566 1.00 0.00 C ATOM 454 CG1 VAL A 29 -0.535 -1.253 -5.162 1.00 0.00 C ATOM 455 CG2 VAL A 29 -2.084 0.645 -5.648 1.00 0.00 C ATOM 0 H VAL A 29 -3.206 0.598 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.387 -1.464 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.149 0.248 -3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.303 -0.665 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.181 -1.940 -4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.974 -1.821 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.246 1.232 -6.023 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.525 0.077 -6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.834 1.313 -5.225 1.00 0.00 H new ATOM 465 N LEU A 30 -1.745 -2.176 -2.098 1.00 0.00 N ATOM 466 CA LEU A 30 -1.212 -3.281 -1.312 1.00 0.00 C ATOM 467 C LEU A 30 -2.322 -4.264 -0.953 1.00 0.00 C ATOM 468 O LEU A 30 -2.111 -5.477 -0.944 1.00 0.00 O ATOM 469 CB LEU A 30 -0.562 -2.748 -0.032 1.00 0.00 C ATOM 470 CG LEU A 30 0.897 -3.205 0.030 1.00 0.00 C ATOM 471 CD1 LEU A 30 1.553 -2.642 1.291 1.00 0.00 C ATOM 472 CD2 LEU A 30 0.956 -4.735 0.066 1.00 0.00 C ATOM 0 H LEU A 30 -1.703 -1.266 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.461 -3.799 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.614 -1.659 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.105 -3.110 0.841 1.00 0.00 H new ATOM 0 HG LEU A 30 1.427 -2.843 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.592 -2.967 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.514 -1.553 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.021 -3.004 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.996 -5.058 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.425 -5.099 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.489 -5.138 -0.832 1.00 0.00 H new ATOM 484 N LEU A 31 -3.502 -3.732 -0.657 1.00 0.00 N ATOM 485 CA LEU A 31 -4.636 -4.572 -0.297 1.00 0.00 C ATOM 486 C LEU A 31 -4.914 -5.592 -1.395 1.00 0.00 C ATOM 487 O LEU A 31 -5.067 -6.783 -1.127 1.00 0.00 O ATOM 488 CB LEU A 31 -5.878 -3.704 -0.075 1.00 0.00 C ATOM 489 CG LEU A 31 -6.296 -3.760 1.397 1.00 0.00 C ATOM 490 CD1 LEU A 31 -7.365 -2.702 1.665 1.00 0.00 C ATOM 491 CD2 LEU A 31 -6.861 -5.148 1.712 1.00 0.00 C ATOM 0 H LEU A 31 -3.697 -2.731 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.396 -5.103 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.669 -2.674 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.694 -4.053 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.429 -3.567 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.662 -2.742 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.964 -1.714 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.233 -2.894 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.159 -5.190 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.728 -5.340 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.098 -5.903 1.521 1.00 0.00 H new ATOM 503 N THR A 32 -4.979 -5.119 -2.633 1.00 0.00 N ATOM 504 CA THR A 32 -5.240 -6.004 -3.761 1.00 0.00 C ATOM 505 C THR A 32 -4.133 -7.046 -3.890 1.00 0.00 C ATOM 506 O THR A 32 -4.399 -8.224 -4.124 1.00 0.00 O ATOM 507 CB THR A 32 -5.327 -5.190 -5.051 1.00 0.00 C ATOM 508 OG1 THR A 32 -4.841 -3.876 -4.813 1.00 0.00 O ATOM 509 CG2 THR A 32 -6.781 -5.125 -5.521 1.00 0.00 C ATOM 0 H THR A 32 -4.856 -4.137 -2.880 1.00 0.00 H new ATOM 0 HA THR A 32 -6.187 -6.515 -3.588 1.00 0.00 H new ATOM 0 HB THR A 32 -4.722 -5.666 -5.823 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.898 -3.919 -4.549 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.840 -4.544 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.149 -6.134 -5.705 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.391 -4.651 -4.752 1.00 0.00 H new ATOM 517 N VAL A 33 -2.891 -6.603 -3.738 1.00 0.00 N ATOM 518 CA VAL A 33 -1.750 -7.509 -3.841 1.00 0.00 C ATOM 519 C VAL A 33 -1.861 -8.624 -2.807 1.00 0.00 C ATOM 520 O VAL A 33 -1.622 -9.793 -3.112 1.00 0.00 O ATOM 521 CB VAL A 33 -0.448 -6.736 -3.625 1.00 0.00 C ATOM 522 CG1 VAL A 33 0.707 -7.718 -3.425 1.00 0.00 C ATOM 523 CG2 VAL A 33 -0.166 -5.864 -4.853 1.00 0.00 C ATOM 0 H VAL A 33 -2.648 -5.632 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.747 -7.951 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.544 -6.106 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.633 -7.164 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.508 -8.341 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.804 -8.350 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.762 -5.312 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.072 -6.497 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.987 -5.162 -4.997 1.00 0.00 H new ATOM 533 N LEU A 34 -2.226 -8.256 -1.585 1.00 0.00 N ATOM 534 CA LEU A 34 -2.361 -9.236 -0.517 1.00 0.00 C ATOM 535 C LEU A 34 -3.536 -10.166 -0.793 1.00 0.00 C ATOM 536 O LEU A 34 -3.504 -11.343 -0.432 1.00 0.00 O ATOM 537 CB LEU A 34 -2.572 -8.522 0.823 1.00 0.00 C ATOM 538 CG LEU A 34 -1.327 -8.677 1.698 1.00 0.00 C ATOM 539 CD1 LEU A 34 -1.397 -7.691 2.866 1.00 0.00 C ATOM 540 CD2 LEU A 34 -1.261 -10.106 2.245 1.00 0.00 C ATOM 0 H LEU A 34 -2.432 -7.295 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.447 -9.828 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.778 -7.465 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.440 -8.938 1.334 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.438 -8.473 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.510 -7.802 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.445 -6.673 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.287 -7.895 3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.374 -10.216 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.151 -10.309 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.211 -10.811 1.415 1.00 0.00 H new ATOM 552 N ALA A 35 -4.568 -9.635 -1.436 1.00 0.00 N ATOM 553 CA ALA A 35 -5.747 -10.431 -1.755 1.00 0.00 C ATOM 554 C ALA A 35 -5.424 -11.459 -2.833 1.00 0.00 C ATOM 555 O ALA A 35 -5.906 -12.591 -2.791 1.00 0.00 O ATOM 556 CB ALA A 35 -6.878 -9.520 -2.234 1.00 0.00 C ATOM 0 H ALA A 35 -4.613 -8.664 -1.745 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.063 -10.956 -0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.755 -10.122 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.128 -8.807 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.558 -8.980 -3.125 1.00 0.00 H new ATOM 562 N LEU A 36 -4.605 -11.056 -3.799 1.00 0.00 N ATOM 563 CA LEU A 36 -4.224 -11.949 -4.886 1.00 0.00 C ATOM 564 C LEU A 36 -3.396 -13.113 -4.354 1.00 0.00 C ATOM 565 O LEU A 36 -3.541 -14.249 -4.805 1.00 0.00 O ATOM 566 CB LEU A 36 -3.418 -11.180 -5.936 1.00 0.00 C ATOM 567 CG LEU A 36 -4.273 -10.968 -7.187 1.00 0.00 C ATOM 568 CD1 LEU A 36 -3.602 -9.939 -8.098 1.00 0.00 C ATOM 569 CD2 LEU A 36 -4.415 -12.296 -7.938 1.00 0.00 C ATOM 0 H LEU A 36 -4.195 -10.123 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.131 -12.343 -5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.101 -10.218 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.514 -11.732 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.259 -10.606 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.212 -9.789 -8.989 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.499 -8.994 -7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.616 -10.300 -8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.024 -12.146 -8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.428 -12.657 -8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.894 -13.031 -7.291 1.00 0.00 H new ATOM 581 N LEU A 37 -2.530 -12.824 -3.393 1.00 0.00 N ATOM 582 CA LEU A 37 -1.684 -13.858 -2.814 1.00 0.00 C ATOM 583 C LEU A 37 -2.518 -14.838 -2.001 1.00 0.00 C ATOM 584 O LEU A 37 -2.271 -16.043 -2.022 1.00 0.00 O ATOM 585 CB LEU A 37 -0.612 -13.221 -1.920 1.00 0.00 C ATOM 586 CG LEU A 37 0.778 -13.440 -2.522 1.00 0.00 C ATOM 587 CD1 LEU A 37 1.076 -14.939 -2.587 1.00 0.00 C ATOM 588 CD2 LEU A 37 0.823 -12.842 -3.932 1.00 0.00 C ATOM 0 H LEU A 37 -2.395 -11.892 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.199 -14.401 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.805 -12.154 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.656 -13.655 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 37 1.527 -12.951 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.066 -15.095 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.045 -15.360 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.329 -15.432 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.813 -12.997 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.075 -13.329 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.613 -11.774 -3.881 1.00 0.00 H new ATOM 600 N SER A 38 -3.504 -14.315 -1.282 1.00 0.00 N ATOM 601 CA SER A 38 -4.367 -15.157 -0.465 1.00 0.00 C ATOM 602 C SER A 38 -5.094 -16.176 -1.336 1.00 0.00 C ATOM 603 O SER A 38 -5.163 -17.358 -0.999 1.00 0.00 O ATOM 604 CB SER A 38 -5.386 -14.291 0.273 1.00 0.00 C ATOM 605 OG SER A 38 -5.350 -14.604 1.659 1.00 0.00 O ATOM 0 H SER A 38 -3.724 -13.320 -1.248 1.00 0.00 H new ATOM 0 HA SER A 38 -3.751 -15.690 0.260 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.162 -13.235 0.121 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.385 -14.465 -0.125 1.00 0.00 H new ATOM 0 HG SER A 38 -6.001 -14.049 2.137 1.00 0.00 H new ATOM 611 N HIS A 39 -5.636 -15.709 -2.459 1.00 0.00 N ATOM 612 CA HIS A 39 -6.358 -16.588 -3.371 1.00 0.00 C ATOM 613 C HIS A 39 -5.421 -17.642 -3.951 1.00 0.00 C ATOM 614 O HIS A 39 -5.776 -18.817 -4.044 1.00 0.00 O ATOM 615 CB HIS A 39 -6.977 -15.771 -4.507 1.00 0.00 C ATOM 616 CG HIS A 39 -8.456 -15.628 -4.273 1.00 0.00 C ATOM 617 ND1 HIS A 39 -9.027 -14.433 -3.865 1.00 0.00 N ATOM 618 CD2 HIS A 39 -9.494 -16.520 -4.386 1.00 0.00 C ATOM 619 CE1 HIS A 39 -10.352 -14.636 -3.748 1.00 0.00 C ATOM 620 NE2 HIS A 39 -10.691 -15.891 -4.054 1.00 0.00 N ATOM 0 H HIS A 39 -5.589 -14.734 -2.756 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.149 -17.088 -2.813 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.509 -14.788 -4.559 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.795 -16.261 -5.463 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.397 -17.553 -4.687 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.056 -13.876 -3.443 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.625 -16.300 -4.046 1.00 0.00 H new ATOM 628 N ARG A 40 -4.224 -17.211 -4.340 1.00 0.00 N ATOM 629 CA ARG A 40 -3.241 -18.125 -4.910 1.00 0.00 C ATOM 630 C ARG A 40 -2.936 -19.258 -3.935 1.00 0.00 C ATOM 631 O ARG A 40 -2.864 -20.424 -4.325 1.00 0.00 O ATOM 632 CB ARG A 40 -1.952 -17.370 -5.237 1.00 0.00 C ATOM 633 CG ARG A 40 -2.161 -16.524 -6.496 1.00 0.00 C ATOM 634 CD ARG A 40 -1.768 -17.338 -7.729 1.00 0.00 C ATOM 635 NE ARG A 40 -0.352 -17.685 -7.676 1.00 0.00 N ATOM 636 CZ ARG A 40 0.585 -16.792 -7.977 1.00 0.00 C ATOM 637 NH1 ARG A 40 0.244 -15.582 -8.328 1.00 0.00 N ATOM 638 NH2 ARG A 40 1.845 -17.126 -7.923 1.00 0.00 N ATOM 0 H ARG A 40 -3.914 -16.242 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.655 -18.549 -5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.670 -16.732 -4.400 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.134 -18.074 -5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.203 -16.213 -6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.561 -15.616 -6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.370 -18.245 -7.781 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.975 -16.765 -8.633 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.077 -18.629 -7.403 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.741 -15.322 -8.371 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.963 -14.896 -8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.111 -18.072 -7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.565 -16.441 -8.154 1.00 0.00 H new ATOM 652 N ARG A 41 -2.756 -18.907 -2.666 1.00 0.00 N ATOM 653 CA ARG A 41 -2.459 -19.903 -1.644 1.00 0.00 C ATOM 654 C ARG A 41 -3.620 -20.879 -1.489 1.00 0.00 C ATOM 655 O ARG A 41 -3.425 -22.095 -1.470 1.00 0.00 O ATOM 656 CB ARG A 41 -2.191 -19.213 -0.304 1.00 0.00 C ATOM 657 CG ARG A 41 -1.565 -20.214 0.669 1.00 0.00 C ATOM 658 CD ARG A 41 -0.056 -19.976 0.753 1.00 0.00 C ATOM 659 NE ARG A 41 0.225 -18.823 1.602 1.00 0.00 N ATOM 660 CZ ARG A 41 1.368 -18.153 1.495 1.00 0.00 C ATOM 661 NH1 ARG A 41 2.260 -18.523 0.619 1.00 0.00 N ATOM 662 NH2 ARG A 41 1.596 -17.126 2.268 1.00 0.00 N ATOM 0 H ARG A 41 -2.810 -17.948 -2.323 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.573 -20.457 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.524 -18.363 -0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.121 -18.822 0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.015 -20.107 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.764 -21.233 0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.438 -20.861 1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.350 -19.810 -0.245 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.468 -18.526 2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.080 -19.326 0.016 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.137 -18.009 0.536 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.897 -16.838 2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.473 -16.611 2.187 1.00 0.00 H new ATOM 676 N ALA A 42 -4.829 -20.339 -1.376 1.00 0.00 N ATOM 677 CA ALA A 42 -6.015 -21.173 -1.222 1.00 0.00 C ATOM 678 C ALA A 42 -6.084 -22.216 -2.333 1.00 0.00 C ATOM 679 O ALA A 42 -6.309 -23.399 -2.075 1.00 0.00 O ATOM 680 CB ALA A 42 -7.273 -20.304 -1.260 1.00 0.00 C ATOM 0 H ALA A 42 -5.013 -19.336 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.954 -21.684 -0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.154 -20.935 -1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.238 -19.577 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.325 -19.780 -2.214 1.00 0.00 H new ATOM 686 N LEU A 43 -5.889 -21.771 -3.569 1.00 0.00 N ATOM 687 CA LEU A 43 -5.932 -22.678 -4.710 1.00 0.00 C ATOM 688 C LEU A 43 -4.899 -23.788 -4.552 1.00 0.00 C ATOM 689 O LEU A 43 -5.180 -24.956 -4.816 1.00 0.00 O ATOM 690 CB LEU A 43 -5.661 -21.903 -6.002 1.00 0.00 C ATOM 691 CG LEU A 43 -6.928 -21.161 -6.430 1.00 0.00 C ATOM 692 CD1 LEU A 43 -6.544 -19.888 -7.187 1.00 0.00 C ATOM 693 CD2 LEU A 43 -7.762 -22.063 -7.347 1.00 0.00 C ATOM 0 H LEU A 43 -5.701 -20.797 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.924 -23.127 -4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.847 -21.195 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.345 -22.587 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.510 -20.899 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.447 -19.360 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.949 -19.245 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.962 -20.151 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.665 -21.535 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.178 -22.324 -8.230 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.036 -22.972 -6.812 1.00 0.00 H new ATOM 705 N LYS A 44 -3.701 -23.417 -4.118 1.00 0.00 N ATOM 706 CA LYS A 44 -2.635 -24.394 -3.929 1.00 0.00 C ATOM 707 C LYS A 44 -3.030 -25.416 -2.867 1.00 0.00 C ATOM 708 O LYS A 44 -2.796 -26.614 -3.026 1.00 0.00 O ATOM 709 CB LYS A 44 -1.347 -23.684 -3.506 1.00 0.00 C ATOM 710 CG LYS A 44 -0.159 -24.629 -3.689 1.00 0.00 C ATOM 711 CD LYS A 44 1.139 -23.885 -3.367 1.00 0.00 C ATOM 712 CE LYS A 44 2.331 -24.818 -3.591 1.00 0.00 C ATOM 713 NZ LYS A 44 3.258 -24.207 -4.586 1.00 0.00 N ATOM 0 H LYS A 44 -3.444 -22.456 -3.892 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.469 -24.914 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.203 -22.783 -4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.418 -23.369 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.266 -25.495 -3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.132 -25.003 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.231 -23.002 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.125 -23.537 -2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.853 -24.992 -2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.985 -25.788 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.069 -24.840 -4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.756 -24.063 -5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.597 -23.291 -4.228 1.00 0.00 H new ATOM 727 N GLN A 45 -3.629 -24.934 -1.785 1.00 0.00 N ATOM 728 CA GLN A 45 -4.051 -25.817 -0.702 1.00 0.00 C ATOM 729 C GLN A 45 -5.109 -26.799 -1.194 1.00 0.00 C ATOM 730 O GLN A 45 -5.114 -27.967 -0.804 1.00 0.00 O ATOM 731 CB GLN A 45 -4.614 -24.990 0.457 1.00 0.00 C ATOM 732 CG GLN A 45 -3.470 -24.285 1.185 1.00 0.00 C ATOM 733 CD GLN A 45 -2.810 -25.242 2.171 1.00 0.00 C ATOM 734 OE1 GLN A 45 -3.494 -26.035 2.820 1.00 0.00 O ATOM 735 NE2 GLN A 45 -1.514 -25.217 2.323 1.00 0.00 N ATOM 0 H GLN A 45 -3.833 -23.946 -1.633 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.184 -26.380 -0.357 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.327 -24.256 0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.156 -25.635 1.148 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.734 -23.928 0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.849 -23.410 1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.950 -24.560 1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.065 -25.855 2.980 1.00 0.00 H new ATOM 744 N LYS A 46 -6.001 -26.317 -2.050 1.00 0.00 N ATOM 745 CA LYS A 46 -7.061 -27.162 -2.590 1.00 0.00 C ATOM 746 C LYS A 46 -6.480 -28.235 -3.503 1.00 0.00 C ATOM 747 O LYS A 46 -7.009 -29.342 -3.591 1.00 0.00 O ATOM 748 CB LYS A 46 -8.063 -26.309 -3.373 1.00 0.00 C ATOM 749 CG LYS A 46 -9.478 -26.560 -2.844 1.00 0.00 C ATOM 750 CD LYS A 46 -9.583 -26.090 -1.389 1.00 0.00 C ATOM 751 CE LYS A 46 -10.833 -25.230 -1.218 1.00 0.00 C ATOM 752 NZ LYS A 46 -10.674 -23.964 -1.990 1.00 0.00 N ATOM 0 H LYS A 46 -6.013 -25.353 -2.384 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.571 -27.648 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.810 -25.253 -3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.012 -26.553 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.205 -26.030 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.717 -27.621 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.627 -26.950 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.696 -25.519 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.712 -25.773 -1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.993 -25.008 -0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.219 -23.206 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.669 -23.699 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.024 -24.102 -2.960 1.00 0.00 H new ATOM 766 N ILE A 47 -5.390 -27.899 -4.180 1.00 0.00 N ATOM 767 CA ILE A 47 -4.744 -28.843 -5.084 1.00 0.00 C ATOM 768 C ILE A 47 -3.926 -29.863 -4.297 1.00 0.00 C ATOM 769 O ILE A 47 -3.872 -31.040 -4.654 1.00 0.00 O ATOM 770 CB ILE A 47 -3.832 -28.095 -6.057 1.00 0.00 C ATOM 771 CG1 ILE A 47 -4.688 -27.277 -7.027 1.00 0.00 C ATOM 772 CG2 ILE A 47 -2.988 -29.098 -6.846 1.00 0.00 C ATOM 773 CD1 ILE A 47 -3.885 -26.077 -7.530 1.00 0.00 C ATOM 0 H ILE A 47 -4.937 -26.987 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.517 -29.368 -5.644 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.174 -27.430 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.998 -27.898 -7.867 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.596 -26.937 -6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.339 -28.562 -7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.379 -29.683 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.644 -29.765 -7.406 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.495 -25.495 -8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.597 -25.452 -6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.990 -26.428 -8.044 1.00 0.00 H new ATOM 785 N TRP A 48 -3.288 -29.405 -3.224 1.00 0.00 N ATOM 786 CA TRP A 48 -2.474 -30.289 -2.398 1.00 0.00 C ATOM 787 C TRP A 48 -2.610 -29.918 -0.924 1.00 0.00 C ATOM 788 O TRP A 48 -1.707 -29.323 -0.336 1.00 0.00 O ATOM 789 CB TRP A 48 -1.008 -30.190 -2.815 1.00 0.00 C ATOM 790 CG TRP A 48 -0.183 -31.085 -1.946 1.00 0.00 C ATOM 791 CD1 TRP A 48 -0.353 -32.421 -1.821 1.00 0.00 C ATOM 792 CD2 TRP A 48 0.936 -30.732 -1.082 1.00 0.00 C ATOM 793 NE1 TRP A 48 0.589 -32.910 -0.935 1.00 0.00 N ATOM 794 CE2 TRP A 48 1.408 -31.908 -0.453 1.00 0.00 C ATOM 795 CE3 TRP A 48 1.581 -29.517 -0.785 1.00 0.00 C ATOM 796 CZ2 TRP A 48 2.480 -31.882 0.440 1.00 0.00 C ATOM 797 CZ3 TRP A 48 2.663 -29.487 0.112 1.00 0.00 C ATOM 798 CH2 TRP A 48 3.110 -30.666 0.722 1.00 0.00 C ATOM 0 H TRP A 48 -3.318 -28.436 -2.908 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.824 -31.312 -2.539 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.896 -30.476 -3.861 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.662 -29.160 -2.727 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.102 -33.009 -2.330 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.669 -33.892 -0.670 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.243 -28.602 -1.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.820 -32.793 0.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.152 -28.550 0.332 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.942 -30.636 1.410 1.00 0.00 H new ATOM 809 N PRO A 49 -3.720 -30.256 -0.327 1.00 0.00 N ATOM 810 CA PRO A 49 -3.991 -29.959 1.111 1.00 0.00 C ATOM 811 C PRO A 49 -2.884 -30.484 2.023 1.00 0.00 C ATOM 812 O PRO A 49 -2.656 -29.877 3.054 1.00 0.00 O ATOM 813 CB PRO A 49 -5.317 -30.675 1.392 1.00 0.00 C ATOM 814 CG PRO A 49 -5.972 -30.831 0.060 1.00 0.00 C ATOM 815 CD PRO A 49 -4.844 -30.962 -0.959 1.00 0.00 C ATOM 816 OXT PRO A 49 -2.283 -31.488 1.673 1.00 0.00 O ATOM 0 HA PRO A 49 -4.035 -28.887 1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.149 -31.643 1.863 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.941 -30.094 2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.615 -31.711 0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.603 -29.971 -0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.601 -32.006 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.113 -30.512 -1.915 1.00 0.00 H new TER 824 PRO A 49