USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 993 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 102 LYS NZ :NH3+ -119:sc= -1.48 (180deg=-6.12!) USER MOD Set 1.2: A 109 THR OG1 : rot 160:sc= -2.99! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -4.85! K(o=-4.9!,f=0.81) USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.587 USER MOD Single : A 21 LYS NZ :NH3+ 145:sc= -0.668 (180deg=-1.87!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 26 LYS NZ :NH3+ -141:sc= -1.39 (180deg=-5.59!) USER MOD Single : A 27 CYS SG : rot 105:sc= -3.49! USER MOD Single : A 30 SER OG : rot 79:sc= 1.29 USER MOD Single : A 32 SER OG : rot -170:sc= -0.587 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 34 MET CE :methyl 154:sc= -2 (180deg=-2.18!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.0671 X(o=0.067,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= -5.73! (180deg=-6.1!) USER MOD Single : A 56 GLN : amide:sc= 0.29 K(o=0.29,f=-0.31) USER MOD Single : A 59 GLN : amide:sc= -1.92! X(o=-1.9!,f=-1.5) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= 0.201 (180deg=0.11) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.784 K(o=-0.78,f=-1.6) USER MOD Single : A 82 SER OG : rot 180:sc= -0.47 USER MOD Single : A 92 HIS : no HD1:sc=-0.00169 X(o=-0.0017,f=0) USER MOD Single : A 93 THR OG1 : rot 19:sc= 0.793 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 78:sc= 0.00524 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.403 K(o=-0.4,f=-1.3) USER MOD Single : A 111 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.2) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 15:sc= -5.31! USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 152:sc= -0.0767 (180deg=-1.97!) USER MOD Single : A 124 THR OG1 : rot -160:sc= -1.06 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.867 4.012 14.509 1.00 0.00 N ATOM 22 CA LEU A 3 -14.887 4.885 13.822 1.00 0.00 C ATOM 23 C LEU A 3 -13.726 5.303 14.747 1.00 0.00 C ATOM 24 O LEU A 3 -13.321 6.472 14.781 1.00 0.00 O ATOM 25 CB LEU A 3 -15.581 6.125 13.212 1.00 0.00 C ATOM 26 CG LEU A 3 -16.358 5.875 11.914 1.00 0.00 C ATOM 27 CD1 LEU A 3 -17.734 5.281 12.200 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.493 7.168 11.123 1.00 0.00 C ATOM 0 HA LEU A 3 -14.454 4.299 13.011 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.267 6.536 13.952 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.824 6.886 13.021 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.798 5.154 11.319 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -18.261 5.115 11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.619 4.332 12.724 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -18.306 5.971 12.820 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.047 6.976 10.204 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -17.027 7.906 11.721 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -15.502 7.549 10.877 1.00 0.00 H new ATOM 40 N THR A 4 -13.204 4.324 15.502 1.00 0.00 N ATOM 41 CA THR A 4 -12.078 4.535 16.428 1.00 0.00 C ATOM 42 C THR A 4 -11.532 3.187 16.933 1.00 0.00 C ATOM 43 O THR A 4 -12.063 2.603 17.886 1.00 0.00 O ATOM 44 CB THR A 4 -12.443 5.480 17.630 1.00 0.00 C ATOM 45 OG1 THR A 4 -11.366 5.529 18.577 1.00 0.00 O ATOM 46 CG2 THR A 4 -13.731 5.060 18.348 1.00 0.00 C ATOM 0 H THR A 4 -13.549 3.364 15.489 1.00 0.00 H new ATOM 0 HA THR A 4 -11.297 5.043 15.863 1.00 0.00 H new ATOM 0 HB THR A 4 -12.611 6.469 17.203 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.609 6.123 19.318 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.932 5.749 19.168 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.563 5.081 17.644 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.615 4.051 18.743 1.00 0.00 H new ATOM 54 N GLY A 5 -10.479 2.695 16.267 1.00 0.00 N ATOM 55 CA GLY A 5 -9.873 1.427 16.650 1.00 0.00 C ATOM 56 C GLY A 5 -8.359 1.417 16.512 1.00 0.00 C ATOM 57 O GLY A 5 -7.667 2.161 17.212 1.00 0.00 O ATOM 0 H GLY A 5 -10.038 3.154 15.470 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.138 1.203 17.683 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.292 0.631 16.034 1.00 0.00 H new ATOM 61 N ALA A 6 -7.851 0.570 15.605 1.00 0.00 N ATOM 62 CA ALA A 6 -6.405 0.437 15.383 1.00 0.00 C ATOM 63 C ALA A 6 -5.976 0.842 13.963 1.00 0.00 C ATOM 64 O ALA A 6 -4.782 0.816 13.644 1.00 0.00 O ATOM 65 CB ALA A 6 -5.969 -0.991 15.683 1.00 0.00 C ATOM 0 H ALA A 6 -8.422 -0.034 15.013 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.909 1.128 16.064 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.896 -1.086 15.517 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.199 -1.231 16.721 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.500 -1.679 15.026 1.00 0.00 H new ATOM 71 N LEU A 7 -6.945 1.227 13.122 1.00 0.00 N ATOM 72 CA LEU A 7 -6.664 1.643 11.747 1.00 0.00 C ATOM 73 C LEU A 7 -6.718 3.164 11.679 1.00 0.00 C ATOM 74 O LEU A 7 -7.581 3.750 11.011 1.00 0.00 O ATOM 75 CB LEU A 7 -7.677 1.007 10.777 1.00 0.00 C ATOM 76 CG LEU A 7 -7.183 0.715 9.354 1.00 0.00 C ATOM 77 CD1 LEU A 7 -8.153 -0.228 8.659 1.00 0.00 C ATOM 78 CD2 LEU A 7 -7.027 1.995 8.535 1.00 0.00 C ATOM 0 H LEU A 7 -7.933 1.258 13.374 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.671 1.305 11.450 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.025 0.071 11.215 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.542 1.667 10.708 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.201 0.248 9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.800 -0.434 7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.217 -1.161 9.218 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.139 0.234 8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.676 1.746 7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.989 2.502 8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.305 2.652 9.020 1.00 0.00 H new ATOM 90 N ALA A 8 -5.777 3.810 12.398 1.00 0.00 N ATOM 91 CA ALA A 8 -5.710 5.282 12.499 1.00 0.00 C ATOM 92 C ALA A 8 -7.011 5.818 13.124 1.00 0.00 C ATOM 93 O ALA A 8 -7.423 6.959 12.878 1.00 0.00 O ATOM 94 CB ALA A 8 -5.427 5.928 11.136 1.00 0.00 C ATOM 0 H ALA A 8 -5.046 3.329 12.922 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.877 5.551 13.149 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.385 7.011 11.249 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.473 5.565 10.753 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.222 5.667 10.437 1.00 0.00 H new ATOM 100 N MET A 9 -7.641 4.947 13.956 1.00 0.00 N ATOM 101 CA MET A 9 -8.915 5.218 14.655 1.00 0.00 C ATOM 102 C MET A 9 -10.107 5.098 13.688 1.00 0.00 C ATOM 103 O MET A 9 -11.045 5.900 13.730 1.00 0.00 O ATOM 104 CB MET A 9 -8.909 6.590 15.376 1.00 0.00 C ATOM 105 CG MET A 9 -7.977 6.648 16.578 1.00 0.00 C ATOM 106 SD MET A 9 -8.036 8.238 17.425 1.00 0.00 S ATOM 107 CE MET A 9 -6.856 7.964 18.744 1.00 0.00 C ATOM 0 H MET A 9 -7.266 4.021 14.160 1.00 0.00 H new ATOM 0 HA MET A 9 -9.026 4.459 15.429 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.618 7.363 14.664 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.923 6.823 15.702 1.00 0.00 H new ATOM 0 HG2 MET A 9 -8.244 5.857 17.279 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.956 6.452 16.251 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.781 8.862 19.358 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.188 7.129 19.361 1.00 0.00 H new ATOM 0 HE3 MET A 9 -5.880 7.734 18.317 1.00 0.00 H new ATOM 117 N ARG A 10 -10.050 4.079 12.800 1.00 0.00 N ATOM 118 CA ARG A 10 -11.117 3.826 11.803 1.00 0.00 C ATOM 119 C ARG A 10 -11.253 2.329 11.467 1.00 0.00 C ATOM 120 O ARG A 10 -11.983 1.956 10.543 1.00 0.00 O ATOM 121 CB ARG A 10 -10.867 4.625 10.508 1.00 0.00 C ATOM 122 CG ARG A 10 -10.901 6.140 10.677 1.00 0.00 C ATOM 123 CD ARG A 10 -9.928 6.823 9.731 1.00 0.00 C ATOM 124 NE ARG A 10 -9.941 8.281 9.889 1.00 0.00 N ATOM 125 CZ ARG A 10 -9.210 9.136 9.159 1.00 0.00 C ATOM 126 NH1 ARG A 10 -8.391 8.701 8.202 1.00 0.00 N ATOM 127 NH2 ARG A 10 -9.300 10.438 9.391 1.00 0.00 N ATOM 0 H ARG A 10 -9.275 3.417 12.753 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.051 4.159 12.256 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.896 4.340 10.103 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.616 4.339 9.770 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.911 6.506 10.491 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.653 6.399 11.706 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.921 6.447 9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.182 6.567 8.702 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.551 8.673 10.607 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.312 7.702 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.843 9.367 7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.922 10.784 10.121 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.747 11.094 8.839 1.00 0.00 H new ATOM 141 N LEU A 11 -10.561 1.473 12.235 1.00 0.00 N ATOM 142 CA LEU A 11 -10.609 0.001 12.066 1.00 0.00 C ATOM 143 C LEU A 11 -12.045 -0.546 12.186 1.00 0.00 C ATOM 144 O LEU A 11 -12.301 -1.697 11.824 1.00 0.00 O ATOM 145 CB LEU A 11 -9.670 -0.629 13.128 1.00 0.00 C ATOM 146 CG LEU A 11 -9.516 -2.178 13.203 1.00 0.00 C ATOM 147 CD1 LEU A 11 -10.612 -2.806 14.056 1.00 0.00 C ATOM 148 CD2 LEU A 11 -9.478 -2.825 11.818 1.00 0.00 C ATOM 0 H LEU A 11 -9.950 1.776 12.993 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.273 -0.264 11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.676 -0.210 12.972 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.010 -0.288 14.106 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.555 -2.370 13.681 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.475 -3.887 14.087 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.560 -2.404 15.068 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.586 -2.576 13.624 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.370 -3.904 11.924 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.404 -2.603 11.287 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.633 -2.429 11.254 1.00 0.00 H new ATOM 160 N ASN A 12 -12.977 0.292 12.671 1.00 0.00 N ATOM 161 CA ASN A 12 -14.377 -0.107 12.817 1.00 0.00 C ATOM 162 C ASN A 12 -14.994 -0.413 11.472 1.00 0.00 C ATOM 163 O ASN A 12 -14.659 0.188 10.450 1.00 0.00 O ATOM 164 CB ASN A 12 -15.195 0.967 13.529 1.00 0.00 C ATOM 165 CG ASN A 12 -14.853 1.074 15.004 1.00 0.00 C ATOM 166 OD1 ASN A 12 -15.640 0.680 15.864 1.00 0.00 O ATOM 167 ND2 ASN A 12 -13.668 1.590 15.305 1.00 0.00 N ATOM 0 H ASN A 12 -12.781 1.248 12.967 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.392 -1.010 13.428 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.022 1.930 13.048 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.256 0.743 13.420 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.380 1.672 16.280 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.045 1.905 14.561 1.00 0.00 H new ATOM 174 N ASP A 13 -15.900 -1.365 11.529 1.00 0.00 N ATOM 175 CA ASP A 13 -16.646 -1.898 10.388 1.00 0.00 C ATOM 176 C ASP A 13 -17.179 -0.842 9.402 1.00 0.00 C ATOM 177 O ASP A 13 -17.348 -1.155 8.227 1.00 0.00 O ATOM 178 CB ASP A 13 -17.782 -2.762 10.942 1.00 0.00 C ATOM 179 CG ASP A 13 -18.547 -3.538 9.878 1.00 0.00 C ATOM 180 OD1 ASP A 13 -18.151 -4.685 9.580 1.00 0.00 O ATOM 181 OD2 ASP A 13 -19.540 -2.998 9.347 1.00 0.00 O ATOM 0 H ASP A 13 -16.155 -1.815 12.408 1.00 0.00 H new ATOM 0 HA ASP A 13 -15.950 -2.482 9.785 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.370 -3.466 11.664 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -18.480 -2.123 11.483 1.00 0.00 H new ATOM 186 N GLU A 14 -17.431 0.392 9.856 1.00 0.00 N ATOM 187 CA GLU A 14 -17.929 1.441 8.953 1.00 0.00 C ATOM 188 C GLU A 14 -16.849 1.853 7.959 1.00 0.00 C ATOM 189 O GLU A 14 -17.037 1.775 6.734 1.00 0.00 O ATOM 190 CB GLU A 14 -18.407 2.674 9.740 1.00 0.00 C ATOM 191 CG GLU A 14 -19.841 2.569 10.238 1.00 0.00 C ATOM 192 CD GLU A 14 -19.981 1.709 11.483 1.00 0.00 C ATOM 193 OE1 GLU A 14 -20.191 0.486 11.340 1.00 0.00 O ATOM 194 OE2 GLU A 14 -19.879 2.260 12.599 1.00 0.00 O ATOM 0 H GLU A 14 -17.302 0.687 10.824 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.778 1.028 8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.746 2.827 10.594 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.317 3.556 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.219 3.569 10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.464 2.154 9.446 1.00 0.00 H new ATOM 201 N ASP A 15 -15.681 2.185 8.504 1.00 0.00 N ATOM 202 CA ASP A 15 -14.557 2.637 7.704 1.00 0.00 C ATOM 203 C ASP A 15 -13.805 1.455 7.148 1.00 0.00 C ATOM 204 O ASP A 15 -13.162 1.568 6.124 1.00 0.00 O ATOM 205 CB ASP A 15 -13.622 3.495 8.541 1.00 0.00 C ATOM 206 CG ASP A 15 -14.148 4.904 8.747 1.00 0.00 C ATOM 207 OD1 ASP A 15 -15.270 5.049 9.274 1.00 0.00 O ATOM 208 OD2 ASP A 15 -13.435 5.862 8.380 1.00 0.00 O ATOM 0 H ASP A 15 -15.493 2.147 9.506 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.940 3.236 6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.472 3.022 9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.647 3.543 8.056 1.00 0.00 H new ATOM 213 N LEU A 16 -13.934 0.319 7.834 1.00 0.00 N ATOM 214 CA LEU A 16 -13.285 -0.927 7.449 1.00 0.00 C ATOM 215 C LEU A 16 -14.005 -1.570 6.267 1.00 0.00 C ATOM 216 O LEU A 16 -13.371 -2.214 5.438 1.00 0.00 O ATOM 217 CB LEU A 16 -13.232 -1.855 8.657 1.00 0.00 C ATOM 218 CG LEU A 16 -12.797 -3.303 8.400 1.00 0.00 C ATOM 219 CD1 LEU A 16 -11.301 -3.391 8.165 1.00 0.00 C ATOM 220 CD2 LEU A 16 -13.211 -4.174 9.564 1.00 0.00 C ATOM 0 H LEU A 16 -14.498 0.241 8.680 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.265 -0.725 7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.551 -1.421 9.389 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.221 -1.874 9.114 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.292 -3.661 7.497 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.021 -4.429 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.033 -2.788 7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.772 -3.019 9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.900 -5.202 9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.737 -3.811 10.476 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.294 -4.138 9.678 1.00 0.00 H new ATOM 232 N ASP A 17 -15.334 -1.405 6.219 1.00 0.00 N ATOM 233 CA ASP A 17 -16.143 -1.913 5.108 1.00 0.00 C ATOM 234 C ASP A 17 -15.958 -0.980 3.908 1.00 0.00 C ATOM 235 O ASP A 17 -15.542 -1.407 2.807 1.00 0.00 O ATOM 236 CB ASP A 17 -17.619 -1.986 5.508 1.00 0.00 C ATOM 237 CG ASP A 17 -18.369 -3.091 4.788 1.00 0.00 C ATOM 238 OD1 ASP A 17 -18.918 -2.823 3.698 1.00 0.00 O ATOM 239 OD2 ASP A 17 -18.408 -4.223 5.314 1.00 0.00 O ATOM 0 H ASP A 17 -15.871 -0.922 6.940 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.820 -2.921 4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.692 -2.145 6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.096 -1.030 5.294 1.00 0.00 H new ATOM 244 N PHE A 18 -16.199 0.326 4.150 1.00 0.00 N ATOM 245 CA PHE A 18 -16.023 1.330 3.108 1.00 0.00 C ATOM 246 C PHE A 18 -14.528 1.435 2.727 1.00 0.00 C ATOM 247 O PHE A 18 -14.181 2.037 1.713 1.00 0.00 O ATOM 248 CB PHE A 18 -16.652 2.682 3.514 1.00 0.00 C ATOM 249 CG PHE A 18 -18.164 2.644 3.646 1.00 0.00 C ATOM 250 CD1 PHE A 18 -18.969 2.297 2.564 1.00 0.00 C ATOM 251 CD2 PHE A 18 -18.778 2.961 4.847 1.00 0.00 C ATOM 252 CE1 PHE A 18 -20.344 2.265 2.685 1.00 0.00 C ATOM 253 CE2 PHE A 18 -20.154 2.931 4.972 1.00 0.00 C ATOM 254 CZ PHE A 18 -20.938 2.582 3.890 1.00 0.00 C ATOM 0 H PHE A 18 -16.511 0.695 5.048 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.561 1.019 2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.222 3.000 4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.381 3.434 2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.512 2.050 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -18.172 3.236 5.698 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.955 1.992 1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.616 3.180 5.916 1.00 0.00 H new ATOM 0 HZ PHE A 18 -22.013 2.557 3.986 1.00 0.00 H new ATOM 264 N LEU A 19 -13.657 0.899 3.614 1.00 0.00 N ATOM 265 CA LEU A 19 -12.206 0.790 3.376 1.00 0.00 C ATOM 266 C LEU A 19 -11.903 -0.521 2.631 1.00 0.00 C ATOM 267 O LEU A 19 -10.970 -0.594 1.829 1.00 0.00 O ATOM 268 CB LEU A 19 -11.429 0.758 4.712 1.00 0.00 C ATOM 269 CG LEU A 19 -9.987 1.350 4.763 1.00 0.00 C ATOM 270 CD1 LEU A 19 -9.271 1.351 3.411 1.00 0.00 C ATOM 271 CD2 LEU A 19 -10.005 2.755 5.347 1.00 0.00 C ATOM 0 H LEU A 19 -13.947 0.529 4.519 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.898 1.656 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.028 1.287 5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.369 -0.282 5.033 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.416 0.686 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.275 1.777 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.187 0.328 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.840 1.948 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.990 3.151 5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.629 3.399 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.409 2.723 6.359 1.00 0.00 H new ATOM 283 N THR A 20 -12.705 -1.564 2.937 1.00 0.00 N ATOM 284 CA THR A 20 -12.526 -2.903 2.360 1.00 0.00 C ATOM 285 C THR A 20 -12.992 -3.006 0.903 1.00 0.00 C ATOM 286 O THR A 20 -12.675 -3.990 0.229 1.00 0.00 O ATOM 287 CB THR A 20 -13.215 -3.999 3.228 1.00 0.00 C ATOM 288 OG1 THR A 20 -12.494 -5.231 3.114 1.00 0.00 O ATOM 289 CG2 THR A 20 -14.678 -4.244 2.848 1.00 0.00 C ATOM 0 H THR A 20 -13.488 -1.497 3.587 1.00 0.00 H new ATOM 0 HA THR A 20 -11.450 -3.078 2.361 1.00 0.00 H new ATOM 0 HB THR A 20 -13.204 -3.631 4.254 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.631 -5.148 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.096 -5.018 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.246 -3.322 2.974 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.735 -4.566 1.808 1.00 0.00 H new ATOM 297 N LYS A 21 -13.771 -2.005 0.444 1.00 0.00 N ATOM 298 CA LYS A 21 -14.288 -1.941 -0.954 1.00 0.00 C ATOM 299 C LYS A 21 -13.304 -2.463 -2.025 1.00 0.00 C ATOM 300 O LYS A 21 -13.735 -2.998 -3.051 1.00 0.00 O ATOM 301 CB LYS A 21 -14.689 -0.495 -1.331 1.00 0.00 C ATOM 302 CG LYS A 21 -13.884 0.618 -0.668 1.00 0.00 C ATOM 303 CD LYS A 21 -12.459 0.716 -1.180 1.00 0.00 C ATOM 304 CE LYS A 21 -11.592 1.455 -0.191 1.00 0.00 C ATOM 305 NZ LYS A 21 -10.171 1.528 -0.631 1.00 0.00 N ATOM 0 H LYS A 21 -14.063 -1.218 1.023 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.154 -2.603 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.601 -0.385 -2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.740 -0.354 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.388 1.570 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.865 0.451 0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.058 -0.283 -1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.446 1.231 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.980 2.464 -0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.645 0.959 0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.762 2.437 -0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.633 0.749 -0.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.124 1.449 -1.667 1.00 0.00 H new ATOM 319 N TRP A 22 -11.990 -2.303 -1.777 1.00 0.00 N ATOM 320 CA TRP A 22 -10.937 -2.726 -2.718 1.00 0.00 C ATOM 321 C TRP A 22 -9.559 -2.646 -2.041 1.00 0.00 C ATOM 322 O TRP A 22 -9.461 -2.215 -0.891 1.00 0.00 O ATOM 323 CB TRP A 22 -10.974 -1.847 -3.986 1.00 0.00 C ATOM 324 CG TRP A 22 -10.591 -2.571 -5.248 1.00 0.00 C ATOM 325 CD1 TRP A 22 -9.505 -2.321 -6.037 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.300 -3.654 -5.877 1.00 0.00 C ATOM 327 NE1 TRP A 22 -9.493 -3.176 -7.113 1.00 0.00 N ATOM 328 CE2 TRP A 22 -10.581 -4.005 -7.035 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.470 -4.364 -5.573 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -10.990 -5.029 -7.886 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -12.873 -5.379 -6.419 1.00 0.00 C ATOM 332 CH2 TRP A 22 -12.135 -5.703 -7.563 1.00 0.00 C ATOM 0 H TRP A 22 -11.630 -1.879 -0.922 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.117 -3.760 -3.011 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.978 -1.441 -4.104 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.302 -1.000 -3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -8.763 -1.561 -5.843 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.788 -3.191 -7.850 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.046 -4.122 -4.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.423 -5.282 -8.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -13.773 -5.932 -6.194 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.477 -6.502 -8.204 1.00 0.00 H new ATOM 343 N THR A 23 -8.501 -3.051 -2.760 1.00 0.00 N ATOM 344 CA THR A 23 -7.136 -3.035 -2.216 1.00 0.00 C ATOM 345 C THR A 23 -6.316 -1.898 -2.821 1.00 0.00 C ATOM 346 O THR A 23 -6.828 -1.118 -3.629 1.00 0.00 O ATOM 347 CB THR A 23 -6.411 -4.379 -2.422 1.00 0.00 C ATOM 348 OG1 THR A 23 -7.312 -5.384 -2.910 1.00 0.00 O ATOM 349 CG2 THR A 23 -5.821 -4.826 -1.102 1.00 0.00 C ATOM 0 H THR A 23 -8.565 -3.393 -3.719 1.00 0.00 H new ATOM 0 HA THR A 23 -7.230 -2.870 -1.143 1.00 0.00 H new ATOM 0 HB THR A 23 -5.623 -4.242 -3.163 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.827 -6.226 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.305 -5.777 -1.237 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.113 -4.077 -0.747 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.619 -4.947 -0.369 1.00 0.00 H new ATOM 357 N ASP A 24 -5.040 -1.812 -2.428 1.00 0.00 N ATOM 358 CA ASP A 24 -4.156 -0.753 -2.902 1.00 0.00 C ATOM 359 C ASP A 24 -2.955 -1.324 -3.662 1.00 0.00 C ATOM 360 O ASP A 24 -1.992 -0.603 -3.950 1.00 0.00 O ATOM 361 CB ASP A 24 -3.682 0.083 -1.709 1.00 0.00 C ATOM 362 CG ASP A 24 -4.804 0.877 -1.064 1.00 0.00 C ATOM 363 OD1 ASP A 24 -5.467 0.335 -0.154 1.00 0.00 O ATOM 364 OD2 ASP A 24 -5.019 2.038 -1.469 1.00 0.00 O ATOM 0 H ASP A 24 -4.600 -2.467 -1.781 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.712 -0.122 -3.595 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.235 -0.576 -0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.901 0.768 -2.039 1.00 0.00 H new ATOM 369 N PHE A 25 -3.031 -2.612 -4.015 1.00 0.00 N ATOM 370 CA PHE A 25 -1.942 -3.273 -4.723 1.00 0.00 C ATOM 371 C PHE A 25 -2.319 -3.542 -6.183 1.00 0.00 C ATOM 372 O PHE A 25 -2.277 -4.665 -6.693 1.00 0.00 O ATOM 373 CB PHE A 25 -1.569 -4.529 -3.933 1.00 0.00 C ATOM 374 CG PHE A 25 -0.307 -5.276 -4.322 1.00 0.00 C ATOM 375 CD1 PHE A 25 0.827 -5.202 -3.530 1.00 0.00 C ATOM 376 CD2 PHE A 25 -0.267 -6.074 -5.458 1.00 0.00 C ATOM 377 CE1 PHE A 25 1.974 -5.899 -3.862 1.00 0.00 C ATOM 378 CE2 PHE A 25 0.878 -6.770 -5.798 1.00 0.00 C ATOM 379 CZ PHE A 25 1.999 -6.682 -4.999 1.00 0.00 C ATOM 0 H PHE A 25 -3.834 -3.211 -3.821 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.061 -2.634 -4.781 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.478 -4.247 -2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.403 -5.227 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.815 -4.591 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.143 -6.152 -6.085 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.849 -5.831 -3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.895 -7.382 -6.688 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.895 -7.225 -5.262 1.00 0.00 H new ATOM 389 N LYS A 26 -2.718 -2.456 -6.817 1.00 0.00 N ATOM 390 CA LYS A 26 -2.996 -2.392 -8.236 1.00 0.00 C ATOM 391 C LYS A 26 -2.158 -1.224 -8.744 1.00 0.00 C ATOM 392 O LYS A 26 -2.187 -0.855 -9.922 1.00 0.00 O ATOM 393 CB LYS A 26 -4.518 -2.232 -8.549 1.00 0.00 C ATOM 394 CG LYS A 26 -5.070 -0.791 -8.605 1.00 0.00 C ATOM 395 CD LYS A 26 -5.407 -0.197 -7.230 1.00 0.00 C ATOM 396 CE LYS A 26 -4.167 0.084 -6.382 1.00 0.00 C ATOM 397 NZ LYS A 26 -4.115 1.466 -5.837 1.00 0.00 N ATOM 0 H LYS A 26 -2.862 -1.565 -6.341 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.734 -3.322 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.720 -2.710 -9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.080 -2.782 -7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.337 -0.151 -9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.967 -0.781 -9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.964 0.730 -7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.060 -0.885 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.136 -0.625 -5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.277 -0.092 -6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.137 1.818 -5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.728 2.086 -6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.444 1.463 -4.850 1.00 0.00 H new ATOM 411 N CYS A 27 -1.400 -0.669 -7.780 1.00 0.00 N ATOM 412 CA CYS A 27 -0.530 0.453 -7.989 1.00 0.00 C ATOM 413 C CYS A 27 0.879 0.089 -7.563 1.00 0.00 C ATOM 414 O CYS A 27 1.113 -0.412 -6.425 1.00 0.00 O ATOM 415 CB CYS A 27 -1.022 1.666 -7.194 1.00 0.00 C ATOM 416 SG CYS A 27 0.072 3.105 -7.286 1.00 0.00 S ATOM 0 H CYS A 27 -1.391 -1.012 -6.820 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.532 0.710 -9.048 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.009 1.950 -7.559 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.139 1.379 -6.149 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.447 3.995 -8.078 1.00 0.00 H new ATOM 422 N PHE A 28 1.793 0.336 -8.505 1.00 0.00 N ATOM 423 CA PHE A 28 3.209 0.091 -8.328 1.00 0.00 C ATOM 424 C PHE A 28 3.887 1.351 -7.833 1.00 0.00 C ATOM 425 O PHE A 28 3.795 2.401 -8.464 1.00 0.00 O ATOM 426 CB PHE A 28 3.846 -0.367 -9.647 1.00 0.00 C ATOM 427 CG PHE A 28 3.435 -1.749 -10.075 1.00 0.00 C ATOM 428 CD1 PHE A 28 4.167 -2.857 -9.681 1.00 0.00 C ATOM 429 CD2 PHE A 28 2.317 -1.937 -10.873 1.00 0.00 C ATOM 430 CE1 PHE A 28 3.793 -4.128 -10.074 1.00 0.00 C ATOM 431 CE2 PHE A 28 1.938 -3.206 -11.270 1.00 0.00 C ATOM 432 CZ PHE A 28 2.677 -4.302 -10.870 1.00 0.00 C ATOM 0 H PHE A 28 1.557 0.717 -9.421 1.00 0.00 H new ATOM 0 HA PHE A 28 3.339 -0.701 -7.590 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.580 0.340 -10.433 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.931 -0.336 -9.545 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.040 -2.726 -9.059 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.736 -1.083 -11.188 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.372 -4.984 -9.760 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.065 -3.340 -11.892 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.383 -5.294 -11.179 1.00 0.00 H new ATOM 442 N VAL A 29 4.572 1.242 -6.705 1.00 0.00 N ATOM 443 CA VAL A 29 5.274 2.384 -6.150 1.00 0.00 C ATOM 444 C VAL A 29 6.759 2.265 -6.512 1.00 0.00 C ATOM 445 O VAL A 29 7.375 1.194 -6.362 1.00 0.00 O ATOM 446 CB VAL A 29 4.978 2.546 -4.626 1.00 0.00 C ATOM 447 CG1 VAL A 29 6.131 3.184 -3.848 1.00 0.00 C ATOM 448 CG2 VAL A 29 3.720 3.383 -4.447 1.00 0.00 C ATOM 0 H VAL A 29 4.655 0.383 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 29 4.913 3.315 -6.588 1.00 0.00 H new ATOM 0 HB VAL A 29 4.843 1.544 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.858 3.267 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.022 2.564 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.335 4.177 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.509 3.499 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.869 4.365 -4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.880 2.886 -4.932 1.00 0.00 H new ATOM 458 N SER A 30 7.306 3.435 -6.899 1.00 0.00 N ATOM 459 CA SER A 30 8.666 3.629 -7.456 1.00 0.00 C ATOM 460 C SER A 30 9.677 2.527 -7.200 1.00 0.00 C ATOM 461 O SER A 30 10.333 2.451 -6.161 1.00 0.00 O ATOM 462 CB SER A 30 9.224 4.990 -7.010 1.00 0.00 C ATOM 463 OG SER A 30 8.880 5.274 -5.663 1.00 0.00 O ATOM 0 H SER A 30 6.791 4.312 -6.830 1.00 0.00 H new ATOM 0 HA SER A 30 8.521 3.592 -8.536 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.309 4.994 -7.119 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.836 5.775 -7.659 1.00 0.00 H new ATOM 0 HG SER A 30 9.480 4.785 -5.062 1.00 0.00 H new ATOM 469 N ALA A 31 9.780 1.683 -8.240 1.00 0.00 N ATOM 470 CA ALA A 31 10.701 0.558 -8.287 1.00 0.00 C ATOM 471 C ALA A 31 12.082 1.034 -8.700 1.00 0.00 C ATOM 472 O ALA A 31 13.086 0.376 -8.410 1.00 0.00 O ATOM 473 CB ALA A 31 10.176 -0.474 -9.234 1.00 0.00 C ATOM 0 H ALA A 31 9.211 1.773 -9.082 1.00 0.00 H new ATOM 0 HA ALA A 31 10.785 0.108 -7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.865 -1.318 -9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.199 -0.817 -8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.081 -0.040 -10.229 1.00 0.00 H new ATOM 479 N SER A 32 12.092 2.175 -9.426 1.00 0.00 N ATOM 480 CA SER A 32 13.305 2.885 -9.847 1.00 0.00 C ATOM 481 C SER A 32 13.891 2.441 -11.197 1.00 0.00 C ATOM 482 O SER A 32 13.881 3.221 -12.154 1.00 0.00 O ATOM 483 CB SER A 32 14.339 2.786 -8.741 1.00 0.00 C ATOM 484 OG SER A 32 15.053 4.000 -8.576 1.00 0.00 O ATOM 0 H SER A 32 11.235 2.631 -9.738 1.00 0.00 H new ATOM 0 HA SER A 32 13.013 3.921 -10.017 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.846 2.525 -7.805 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.038 1.981 -8.968 1.00 0.00 H new ATOM 0 HG SER A 32 15.810 3.855 -7.971 1.00 0.00 H new ATOM 490 N ASN A 33 14.406 1.209 -11.274 1.00 0.00 N ATOM 491 CA ASN A 33 15.004 0.690 -12.503 1.00 0.00 C ATOM 492 C ASN A 33 13.958 -0.108 -13.251 1.00 0.00 C ATOM 493 O ASN A 33 14.099 -0.408 -14.440 1.00 0.00 O ATOM 494 CB ASN A 33 16.228 -0.173 -12.184 1.00 0.00 C ATOM 495 CG ASN A 33 17.510 0.636 -12.059 1.00 0.00 C ATOM 496 OD1 ASN A 33 17.509 1.770 -11.574 1.00 0.00 O ATOM 497 ND2 ASN A 33 18.618 0.051 -12.500 1.00 0.00 N ATOM 0 H ASN A 33 14.419 0.552 -10.494 1.00 0.00 H new ATOM 0 HA ASN A 33 15.342 1.517 -13.127 1.00 0.00 H new ATOM 0 HB2 ASN A 33 16.053 -0.712 -11.253 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.352 -0.921 -12.967 1.00 0.00 H new ATOM 0 HD21 ASN A 33 19.511 0.541 -12.444 1.00 0.00 H new ATOM 0 HD22 ASN A 33 18.576 -0.889 -12.895 1.00 0.00 H new ATOM 504 N MET A 34 12.905 -0.439 -12.505 1.00 0.00 N ATOM 505 CA MET A 34 11.762 -1.153 -13.020 1.00 0.00 C ATOM 506 C MET A 34 10.699 -0.128 -13.447 1.00 0.00 C ATOM 507 O MET A 34 9.970 -0.331 -14.422 1.00 0.00 O ATOM 508 CB MET A 34 11.208 -2.074 -11.941 1.00 0.00 C ATOM 509 CG MET A 34 10.178 -3.077 -12.441 1.00 0.00 C ATOM 510 SD MET A 34 9.172 -3.768 -11.117 1.00 0.00 S ATOM 511 CE MET A 34 7.849 -2.562 -11.053 1.00 0.00 C ATOM 0 H MET A 34 12.831 -0.211 -11.514 1.00 0.00 H new ATOM 0 HA MET A 34 12.049 -1.760 -13.879 1.00 0.00 H new ATOM 0 HB2 MET A 34 12.035 -2.618 -11.484 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.755 -1.466 -11.158 1.00 0.00 H new ATOM 0 HG2 MET A 34 9.528 -2.591 -13.168 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.690 -3.886 -12.962 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.948 -3.031 -10.658 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.141 -1.735 -10.406 1.00 0.00 H new ATOM 0 HE3 MET A 34 7.651 -2.185 -12.056 1.00 0.00 H new ATOM 521 N ARG A 35 10.644 0.972 -12.680 1.00 0.00 N ATOM 522 CA ARG A 35 9.728 2.072 -12.923 1.00 0.00 C ATOM 523 C ARG A 35 10.554 3.333 -13.071 1.00 0.00 C ATOM 524 O ARG A 35 11.324 3.690 -12.174 1.00 0.00 O ATOM 525 CB ARG A 35 8.704 2.182 -11.761 1.00 0.00 C ATOM 526 CG ARG A 35 8.369 3.593 -11.256 1.00 0.00 C ATOM 527 CD ARG A 35 7.468 4.366 -12.206 1.00 0.00 C ATOM 528 NE ARG A 35 7.224 5.733 -11.724 1.00 0.00 N ATOM 529 CZ ARG A 35 7.823 6.835 -12.205 1.00 0.00 C ATOM 530 NH1 ARG A 35 8.711 6.759 -13.193 1.00 0.00 N ATOM 531 NH2 ARG A 35 7.537 8.020 -11.683 1.00 0.00 N ATOM 0 H ARG A 35 11.245 1.114 -11.868 1.00 0.00 H new ATOM 0 HA ARG A 35 9.152 1.910 -13.834 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.776 1.708 -12.082 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.084 1.603 -10.919 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.883 3.519 -10.283 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.295 4.149 -11.109 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.927 4.404 -13.194 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.518 3.843 -12.315 1.00 0.00 H new ATOM 0 HE ARG A 35 6.550 5.854 -10.968 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.947 5.853 -13.598 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.156 7.607 -13.545 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.865 8.092 -10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.989 8.859 -12.045 1.00 0.00 H new ATOM 545 N ASN A 36 10.354 4.006 -14.197 1.00 0.00 N ATOM 546 CA ASN A 36 11.077 5.239 -14.537 1.00 0.00 C ATOM 547 C ASN A 36 10.716 5.712 -15.962 1.00 0.00 C ATOM 548 O ASN A 36 10.894 6.890 -16.285 1.00 0.00 O ATOM 549 CB ASN A 36 12.614 5.041 -14.403 1.00 0.00 C ATOM 550 CG ASN A 36 13.412 6.324 -14.590 1.00 0.00 C ATOM 551 OD1 ASN A 36 13.808 6.666 -15.704 1.00 0.00 O ATOM 552 ND2 ASN A 36 13.651 7.037 -13.496 1.00 0.00 N ATOM 0 H ASN A 36 9.683 3.716 -14.908 1.00 0.00 H new ATOM 0 HA ASN A 36 10.771 6.010 -13.830 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.834 4.626 -13.419 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.943 4.308 -15.139 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.182 7.906 -13.559 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.304 6.716 -12.592 1.00 0.00 H new ATOM 559 N ALA A 37 10.209 4.788 -16.801 1.00 0.00 N ATOM 560 CA ALA A 37 9.844 5.099 -18.187 1.00 0.00 C ATOM 561 C ALA A 37 8.393 5.586 -18.337 1.00 0.00 C ATOM 562 O ALA A 37 8.167 6.670 -18.884 1.00 0.00 O ATOM 563 CB ALA A 37 10.096 3.888 -19.077 1.00 0.00 C ATOM 0 H ALA A 37 10.044 3.817 -16.536 1.00 0.00 H new ATOM 0 HA ALA A 37 10.479 5.927 -18.503 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.822 4.128 -20.104 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.152 3.620 -19.036 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.495 3.049 -18.728 1.00 0.00 H new ATOM 569 N ALA A 38 7.414 4.795 -17.855 1.00 0.00 N ATOM 570 CA ALA A 38 5.996 5.167 -17.975 1.00 0.00 C ATOM 571 C ALA A 38 5.504 5.937 -16.751 1.00 0.00 C ATOM 572 O ALA A 38 4.911 7.011 -16.893 1.00 0.00 O ATOM 573 CB ALA A 38 5.144 3.924 -18.209 1.00 0.00 C ATOM 0 H ALA A 38 7.579 3.905 -17.385 1.00 0.00 H new ATOM 0 HA ALA A 38 5.898 5.831 -18.834 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.096 4.212 -18.296 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.463 3.432 -19.128 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.263 3.238 -17.370 1.00 0.00 H new ATOM 579 N GLY A 39 5.748 5.386 -15.550 1.00 0.00 N ATOM 580 CA GLY A 39 5.360 6.050 -14.312 1.00 0.00 C ATOM 581 C GLY A 39 3.864 6.144 -14.089 1.00 0.00 C ATOM 582 O GLY A 39 3.415 6.956 -13.274 1.00 0.00 O ATOM 0 H GLY A 39 6.210 4.486 -15.419 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.806 5.516 -13.473 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.779 7.056 -14.308 1.00 0.00 H new ATOM 586 N GLN A 40 3.088 5.327 -14.809 1.00 0.00 N ATOM 587 CA GLN A 40 1.642 5.339 -14.658 1.00 0.00 C ATOM 588 C GLN A 40 1.211 4.403 -13.539 1.00 0.00 C ATOM 589 O GLN A 40 0.848 3.238 -13.746 1.00 0.00 O ATOM 590 CB GLN A 40 0.946 5.022 -15.973 1.00 0.00 C ATOM 591 CG GLN A 40 0.393 6.266 -16.638 1.00 0.00 C ATOM 592 CD GLN A 40 -0.530 5.952 -17.799 1.00 0.00 C ATOM 593 OE1 GLN A 40 -0.090 5.836 -18.943 1.00 0.00 O ATOM 594 NE2 GLN A 40 -1.819 5.815 -17.510 1.00 0.00 N ATOM 0 H GLN A 40 3.439 4.658 -15.494 1.00 0.00 H new ATOM 0 HA GLN A 40 1.335 6.346 -14.376 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.650 4.533 -16.647 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.135 4.316 -15.793 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.148 6.857 -15.899 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.220 6.880 -16.994 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.140 5.920 -16.547 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.488 5.605 -18.251 1.00 0.00 H new ATOM 603 N PHE A 41 1.300 4.964 -12.344 1.00 0.00 N ATOM 604 CA PHE A 41 0.960 4.289 -11.102 1.00 0.00 C ATOM 605 C PHE A 41 0.132 5.225 -10.213 1.00 0.00 C ATOM 606 O PHE A 41 -0.762 4.784 -9.474 1.00 0.00 O ATOM 607 CB PHE A 41 2.258 3.843 -10.404 1.00 0.00 C ATOM 608 CG PHE A 41 3.095 4.963 -9.826 1.00 0.00 C ATOM 609 CD1 PHE A 41 2.998 5.295 -8.484 1.00 0.00 C ATOM 610 CD2 PHE A 41 3.972 5.677 -10.627 1.00 0.00 C ATOM 611 CE1 PHE A 41 3.759 6.318 -7.952 1.00 0.00 C ATOM 612 CE2 PHE A 41 4.734 6.701 -10.100 1.00 0.00 C ATOM 613 CZ PHE A 41 4.628 7.023 -8.761 1.00 0.00 C ATOM 0 H PHE A 41 1.618 5.924 -12.207 1.00 0.00 H new ATOM 0 HA PHE A 41 0.355 3.405 -11.303 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.001 3.151 -9.602 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.865 3.289 -11.120 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.320 4.748 -7.847 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.060 5.430 -11.675 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.674 6.566 -6.904 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.413 7.250 -10.735 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.223 7.824 -8.348 1.00 0.00 H new ATOM 623 N ILE A 42 0.440 6.535 -10.312 1.00 0.00 N ATOM 624 CA ILE A 42 -0.256 7.586 -9.558 1.00 0.00 C ATOM 625 C ILE A 42 -1.765 7.587 -9.835 1.00 0.00 C ATOM 626 O ILE A 42 -2.538 8.146 -9.051 1.00 0.00 O ATOM 627 CB ILE A 42 0.331 9.007 -9.831 1.00 0.00 C ATOM 628 CG1 ILE A 42 0.584 9.266 -11.332 1.00 0.00 C ATOM 629 CG2 ILE A 42 1.617 9.203 -9.043 1.00 0.00 C ATOM 630 CD1 ILE A 42 -0.591 9.894 -12.051 1.00 0.00 C ATOM 0 H ILE A 42 1.180 6.889 -10.919 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.094 7.350 -8.506 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.416 9.730 -9.502 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.452 9.917 -11.437 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.832 8.322 -11.817 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.017 10.197 -9.241 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.410 9.101 -7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.347 8.451 -9.345 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.337 10.045 -13.100 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.456 9.235 -11.978 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.827 10.855 -11.593 1.00 0.00 H new ATOM 642 N GLU A 43 -2.177 6.955 -10.957 1.00 0.00 N ATOM 643 CA GLU A 43 -3.594 6.858 -11.309 1.00 0.00 C ATOM 644 C GLU A 43 -4.341 6.034 -10.252 1.00 0.00 C ATOM 645 O GLU A 43 -5.231 6.560 -9.565 1.00 0.00 O ATOM 646 CB GLU A 43 -3.768 6.239 -12.713 1.00 0.00 C ATOM 647 CG GLU A 43 -4.164 7.240 -13.795 1.00 0.00 C ATOM 648 CD GLU A 43 -3.004 8.097 -14.272 1.00 0.00 C ATOM 649 OE1 GLU A 43 -2.959 9.290 -13.908 1.00 0.00 O ATOM 650 OE2 GLU A 43 -2.141 7.573 -15.008 1.00 0.00 O ATOM 0 H GLU A 43 -1.546 6.510 -11.624 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.019 7.862 -11.332 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.834 5.758 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.527 5.458 -12.662 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.582 6.700 -14.645 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.952 7.888 -13.411 1.00 0.00 H new ATOM 657 N ALA A 44 -3.951 4.750 -10.089 1.00 0.00 N ATOM 658 CA ALA A 44 -4.565 3.881 -9.083 1.00 0.00 C ATOM 659 C ALA A 44 -4.234 4.335 -7.660 1.00 0.00 C ATOM 660 O ALA A 44 -5.051 4.164 -6.750 1.00 0.00 O ATOM 661 CB ALA A 44 -4.118 2.447 -9.280 1.00 0.00 C ATOM 0 H ALA A 44 -3.219 4.303 -10.641 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.645 3.946 -9.214 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.583 1.814 -8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.415 2.106 -10.272 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.034 2.388 -9.186 1.00 0.00 H new ATOM 667 N ALA A 45 -3.031 4.916 -7.472 1.00 0.00 N ATOM 668 CA ALA A 45 -2.607 5.415 -6.154 1.00 0.00 C ATOM 669 C ALA A 45 -3.530 6.532 -5.665 1.00 0.00 C ATOM 670 O ALA A 45 -3.943 6.543 -4.499 1.00 0.00 O ATOM 671 CB ALA A 45 -1.167 5.908 -6.199 1.00 0.00 C ATOM 0 H ALA A 45 -2.343 5.049 -8.213 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.670 4.584 -5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.876 6.272 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.511 5.088 -6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.082 6.717 -6.924 1.00 0.00 H new ATOM 677 N TYR A 46 -3.875 7.450 -6.586 1.00 0.00 N ATOM 678 CA TYR A 46 -4.761 8.577 -6.283 1.00 0.00 C ATOM 679 C TYR A 46 -6.199 8.093 -6.088 1.00 0.00 C ATOM 680 O TYR A 46 -6.902 8.547 -5.176 1.00 0.00 O ATOM 681 CB TYR A 46 -4.702 9.603 -7.418 1.00 0.00 C ATOM 682 CG TYR A 46 -4.860 11.037 -6.958 1.00 0.00 C ATOM 683 CD1 TYR A 46 -6.110 11.644 -6.933 1.00 0.00 C ATOM 684 CD2 TYR A 46 -3.761 11.783 -6.551 1.00 0.00 C ATOM 685 CE1 TYR A 46 -6.259 12.953 -6.516 1.00 0.00 C ATOM 686 CE2 TYR A 46 -3.902 13.092 -6.132 1.00 0.00 C ATOM 687 CZ TYR A 46 -5.153 13.672 -6.116 1.00 0.00 C ATOM 688 OH TYR A 46 -5.297 14.975 -5.699 1.00 0.00 O ATOM 0 H TYR A 46 -3.548 7.428 -7.552 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.426 9.046 -5.358 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.749 9.501 -7.937 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.485 9.375 -8.141 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -6.979 11.084 -7.245 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.780 11.332 -6.562 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.237 13.411 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.037 13.658 -5.819 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.421 15.338 -5.451 1.00 0.00 H new ATOM 698 N ALA A 47 -6.612 7.139 -6.941 1.00 0.00 N ATOM 699 CA ALA A 47 -7.957 6.561 -6.892 1.00 0.00 C ATOM 700 C ALA A 47 -8.215 5.786 -5.600 1.00 0.00 C ATOM 701 O ALA A 47 -9.243 5.996 -4.945 1.00 0.00 O ATOM 702 CB ALA A 47 -8.171 5.649 -8.083 1.00 0.00 C ATOM 0 H ALA A 47 -6.023 6.752 -7.678 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.663 7.391 -6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.173 5.223 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.059 6.221 -9.004 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.434 4.846 -8.063 1.00 0.00 H new ATOM 708 N LYS A 48 -7.273 4.902 -5.222 1.00 0.00 N ATOM 709 CA LYS A 48 -7.438 4.099 -4.012 1.00 0.00 C ATOM 710 C LYS A 48 -7.245 4.931 -2.752 1.00 0.00 C ATOM 711 O LYS A 48 -7.942 4.704 -1.760 1.00 0.00 O ATOM 712 CB LYS A 48 -6.548 2.853 -4.015 1.00 0.00 C ATOM 713 CG LYS A 48 -7.047 1.743 -4.947 1.00 0.00 C ATOM 714 CD LYS A 48 -8.466 1.262 -4.612 1.00 0.00 C ATOM 715 CE LYS A 48 -9.454 1.562 -5.744 1.00 0.00 C ATOM 716 NZ LYS A 48 -9.371 2.969 -6.237 1.00 0.00 N ATOM 0 H LYS A 48 -6.406 4.732 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.469 3.745 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.539 3.139 -4.312 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.483 2.461 -3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.027 2.105 -5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.362 0.897 -4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.450 0.189 -4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.806 1.745 -3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.264 0.881 -6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.468 1.365 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.168 3.160 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.410 3.623 -5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.476 3.105 -6.749 1.00 0.00 H new ATOM 730 N ALA A 49 -6.296 5.889 -2.783 1.00 0.00 N ATOM 731 CA ALA A 49 -6.100 6.808 -1.650 1.00 0.00 C ATOM 732 C ALA A 49 -7.414 7.560 -1.393 1.00 0.00 C ATOM 733 O ALA A 49 -7.863 7.708 -0.243 1.00 0.00 O ATOM 734 CB ALA A 49 -4.961 7.780 -1.928 1.00 0.00 C ATOM 0 H ALA A 49 -5.664 6.043 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.827 6.238 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.837 8.448 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.038 7.223 -2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.192 8.366 -2.818 1.00 0.00 H new ATOM 740 N LEU A 50 -8.053 7.987 -2.503 1.00 0.00 N ATOM 741 CA LEU A 50 -9.347 8.665 -2.446 1.00 0.00 C ATOM 742 C LEU A 50 -10.433 7.680 -1.989 1.00 0.00 C ATOM 743 O LEU A 50 -11.397 8.076 -1.328 1.00 0.00 O ATOM 744 CB LEU A 50 -9.700 9.285 -3.806 1.00 0.00 C ATOM 745 CG LEU A 50 -9.521 10.811 -3.903 1.00 0.00 C ATOM 746 CD1 LEU A 50 -8.063 11.182 -4.147 1.00 0.00 C ATOM 747 CD2 LEU A 50 -10.402 11.383 -5.004 1.00 0.00 C ATOM 0 H LEU A 50 -7.685 7.869 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.287 9.476 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.083 8.815 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.737 9.042 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.825 11.243 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.969 12.266 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.451 10.813 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.725 10.733 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.262 12.463 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.129 10.934 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.447 11.163 -4.785 1.00 0.00 H new ATOM 759 N ARG A 51 -10.258 6.381 -2.339 1.00 0.00 N ATOM 760 CA ARG A 51 -11.192 5.327 -1.904 1.00 0.00 C ATOM 761 C ARG A 51 -11.063 5.117 -0.389 1.00 0.00 C ATOM 762 O ARG A 51 -12.036 4.763 0.284 1.00 0.00 O ATOM 763 CB ARG A 51 -10.960 4.007 -2.649 1.00 0.00 C ATOM 764 CG ARG A 51 -11.706 3.898 -3.982 1.00 0.00 C ATOM 765 CD ARG A 51 -12.745 2.783 -3.925 1.00 0.00 C ATOM 766 NE ARG A 51 -13.796 2.902 -4.937 1.00 0.00 N ATOM 767 CZ ARG A 51 -15.030 2.384 -4.806 1.00 0.00 C ATOM 768 NH1 ARG A 51 -15.384 1.721 -3.706 1.00 0.00 N ATOM 769 NH2 ARG A 51 -15.898 2.493 -5.799 1.00 0.00 N ATOM 0 H ARG A 51 -9.486 6.047 -2.915 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.203 5.656 -2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.892 3.890 -2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.266 3.182 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.194 4.846 -4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.997 3.702 -4.787 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.242 1.824 -4.048 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.204 2.777 -2.937 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.579 3.409 -5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.715 1.600 -2.946 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.324 1.335 -3.624 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.630 2.969 -6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.835 2.101 -5.703 1.00 0.00 H new ATOM 783 N ILE A 52 -9.843 5.345 0.143 1.00 0.00 N ATOM 784 CA ILE A 52 -9.598 5.265 1.593 1.00 0.00 C ATOM 785 C ILE A 52 -10.303 6.467 2.234 1.00 0.00 C ATOM 786 O ILE A 52 -10.776 6.400 3.372 1.00 0.00 O ATOM 787 CB ILE A 52 -8.079 5.259 1.964 1.00 0.00 C ATOM 788 CG1 ILE A 52 -7.328 4.175 1.162 1.00 0.00 C ATOM 789 CG2 ILE A 52 -7.895 5.023 3.470 1.00 0.00 C ATOM 790 CD1 ILE A 52 -5.819 4.357 1.107 1.00 0.00 C ATOM 0 H ILE A 52 -9.019 5.584 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.990 4.319 1.967 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.662 6.233 1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.547 3.201 1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.716 4.161 0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.832 5.022 3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.392 5.818 4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.330 4.062 3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.376 3.550 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.585 5.313 0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.413 4.338 2.118 1.00 0.00 H new ATOM 802 N GLU A 53 -10.342 7.572 1.466 1.00 0.00 N ATOM 803 CA GLU A 53 -11.052 8.795 1.865 1.00 0.00 C ATOM 804 C GLU A 53 -12.554 8.628 1.623 1.00 0.00 C ATOM 805 O GLU A 53 -13.343 9.434 2.100 1.00 0.00 O ATOM 806 CB GLU A 53 -10.523 10.025 1.117 1.00 0.00 C ATOM 807 CG GLU A 53 -9.097 10.410 1.485 1.00 0.00 C ATOM 808 CD GLU A 53 -8.608 11.627 0.724 1.00 0.00 C ATOM 809 OE1 GLU A 53 -8.034 11.451 -0.371 1.00 0.00 O ATOM 810 OE2 GLU A 53 -8.800 12.756 1.222 1.00 0.00 O ATOM 0 H GLU A 53 -9.884 7.639 0.557 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.874 8.957 2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.571 9.834 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.180 10.871 1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.043 10.609 2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.434 9.569 1.283 1.00 0.00 H new ATOM 817 N LEU A 54 -12.937 7.622 0.809 1.00 0.00 N ATOM 818 CA LEU A 54 -14.352 7.313 0.595 1.00 0.00 C ATOM 819 C LEU A 54 -14.835 6.428 1.735 1.00 0.00 C ATOM 820 O LEU A 54 -16.010 6.446 2.110 1.00 0.00 O ATOM 821 CB LEU A 54 -14.618 6.685 -0.807 1.00 0.00 C ATOM 822 CG LEU A 54 -14.602 5.126 -1.001 1.00 0.00 C ATOM 823 CD1 LEU A 54 -15.577 4.375 -0.089 1.00 0.00 C ATOM 824 CD2 LEU A 54 -14.956 4.786 -2.434 1.00 0.00 C ATOM 0 H LEU A 54 -12.290 7.021 0.299 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.926 8.240 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.594 7.040 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.879 7.101 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.593 4.808 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.506 3.305 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.325 4.572 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.594 4.713 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.944 3.704 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.951 5.168 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -14.228 5.241 -3.106 1.00 0.00 H new ATOM 836 N ALA A 55 -13.882 5.646 2.260 1.00 0.00 N ATOM 837 CA ALA A 55 -14.087 4.735 3.398 1.00 0.00 C ATOM 838 C ALA A 55 -14.726 5.441 4.596 1.00 0.00 C ATOM 839 O ALA A 55 -15.225 4.806 5.529 1.00 0.00 O ATOM 840 CB ALA A 55 -12.760 4.132 3.811 1.00 0.00 C ATOM 0 H ALA A 55 -12.928 5.627 1.900 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.773 3.952 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.913 3.458 4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.337 3.577 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.074 4.927 4.103 1.00 0.00 H new ATOM 846 N GLN A 56 -14.686 6.762 4.526 1.00 0.00 N ATOM 847 CA GLN A 56 -15.230 7.649 5.537 1.00 0.00 C ATOM 848 C GLN A 56 -16.573 8.203 5.117 1.00 0.00 C ATOM 849 O GLN A 56 -16.952 9.305 5.518 1.00 0.00 O ATOM 850 CB GLN A 56 -14.209 8.754 5.900 1.00 0.00 C ATOM 851 CG GLN A 56 -13.714 9.586 4.728 1.00 0.00 C ATOM 852 CD GLN A 56 -12.861 10.777 5.145 1.00 0.00 C ATOM 853 OE1 GLN A 56 -12.157 10.741 6.159 1.00 0.00 O ATOM 854 NE2 GLN A 56 -12.913 11.844 4.357 1.00 0.00 N ATOM 0 H GLN A 56 -14.262 7.258 3.742 1.00 0.00 H new ATOM 0 HA GLN A 56 -15.410 7.074 6.445 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -14.664 9.421 6.632 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.350 8.289 6.383 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.133 8.949 4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -14.572 9.945 4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.506 11.837 3.527 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.360 12.671 4.581 1.00 0.00 H new ATOM 863 N LEU A 57 -17.291 7.410 4.305 1.00 0.00 N ATOM 864 CA LEU A 57 -18.621 7.766 3.832 1.00 0.00 C ATOM 865 C LEU A 57 -19.553 8.004 4.992 1.00 0.00 C ATOM 866 O LEU A 57 -20.320 7.134 5.431 1.00 0.00 O ATOM 867 CB LEU A 57 -19.206 6.705 2.883 1.00 0.00 C ATOM 868 CG LEU A 57 -20.726 6.827 2.581 1.00 0.00 C ATOM 869 CD1 LEU A 57 -21.026 7.924 1.568 1.00 0.00 C ATOM 870 CD2 LEU A 57 -21.296 5.493 2.123 1.00 0.00 C ATOM 0 H LEU A 57 -16.959 6.508 3.964 1.00 0.00 H new ATOM 0 HA LEU A 57 -18.520 8.690 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -18.663 6.751 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -19.018 5.720 3.311 1.00 0.00 H new ATOM 0 HG LEU A 57 -21.216 7.111 3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -22.100 7.971 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -20.681 8.882 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -20.512 7.705 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -22.361 5.604 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -20.783 5.170 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -21.153 4.748 2.906 1.00 0.00 H new ATOM 882 N VAL A 58 -19.406 9.191 5.511 1.00 0.00 N ATOM 883 CA VAL A 58 -20.252 9.681 6.545 1.00 0.00 C ATOM 884 C VAL A 58 -21.445 10.260 5.792 1.00 0.00 C ATOM 885 O VAL A 58 -22.543 10.413 6.334 1.00 0.00 O ATOM 886 CB VAL A 58 -19.520 10.745 7.412 1.00 0.00 C ATOM 887 CG1 VAL A 58 -20.438 11.359 8.470 1.00 0.00 C ATOM 888 CG2 VAL A 58 -18.287 10.139 8.080 1.00 0.00 C ATOM 0 H VAL A 58 -18.683 9.849 5.219 1.00 0.00 H new ATOM 0 HA VAL A 58 -20.555 8.911 7.255 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.210 11.544 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.883 12.096 9.050 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -21.283 11.844 7.981 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.804 10.575 9.134 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -17.789 10.899 8.682 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -18.590 9.310 8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -17.601 9.775 7.315 1.00 0.00 H new ATOM 898 N GLN A 59 -21.169 10.580 4.496 1.00 0.00 N ATOM 899 CA GLN A 59 -22.199 11.119 3.586 1.00 0.00 C ATOM 900 C GLN A 59 -21.842 11.077 2.083 1.00 0.00 C ATOM 901 O GLN A 59 -22.612 10.527 1.290 1.00 0.00 O ATOM 902 CB GLN A 59 -22.559 12.569 3.978 1.00 0.00 C ATOM 903 CG GLN A 59 -21.342 13.405 4.394 1.00 0.00 C ATOM 904 CD GLN A 59 -21.361 14.828 3.852 1.00 0.00 C ATOM 905 OE1 GLN A 59 -22.422 15.425 3.647 1.00 0.00 O ATOM 906 NE2 GLN A 59 -20.178 15.384 3.623 1.00 0.00 N ATOM 0 H GLN A 59 -20.249 10.472 4.069 1.00 0.00 H new ATOM 0 HA GLN A 59 -23.050 10.450 3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -23.053 13.054 3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -23.275 12.549 4.799 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -21.292 13.441 5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -20.436 12.907 4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -19.323 14.858 3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -20.123 16.338 3.265 1.00 0.00 H new ATOM 915 N VAL A 60 -20.691 11.657 1.692 1.00 0.00 N ATOM 916 CA VAL A 60 -20.304 11.729 0.261 1.00 0.00 C ATOM 917 C VAL A 60 -18.972 11.055 -0.069 1.00 0.00 C ATOM 918 O VAL A 60 -18.678 10.741 -1.244 1.00 0.00 O ATOM 919 CB VAL A 60 -20.251 13.192 -0.254 1.00 0.00 C ATOM 920 CG1 VAL A 60 -21.646 13.681 -0.609 1.00 0.00 C ATOM 921 CG2 VAL A 60 -19.595 14.144 0.752 1.00 0.00 C ATOM 0 H VAL A 60 -20.018 12.078 2.333 1.00 0.00 H new ATOM 0 HA VAL A 60 -21.092 11.175 -0.248 1.00 0.00 H new ATOM 0 HB VAL A 60 -19.630 13.192 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -21.591 14.709 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -22.067 13.046 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -22.282 13.640 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -19.583 15.154 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -20.162 14.136 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -18.573 13.820 0.947 1.00 0.00 H new ATOM 931 N ASP A 61 -18.163 10.841 0.962 1.00 0.00 N ATOM 932 CA ASP A 61 -16.820 10.279 0.798 1.00 0.00 C ATOM 933 C ASP A 61 -16.805 9.096 -0.175 1.00 0.00 C ATOM 934 O ASP A 61 -16.040 9.111 -1.155 1.00 0.00 O ATOM 935 CB ASP A 61 -16.220 9.906 2.158 1.00 0.00 C ATOM 936 CG ASP A 61 -16.428 10.994 3.200 1.00 0.00 C ATOM 937 OD1 ASP A 61 -15.476 11.756 3.460 1.00 0.00 O ATOM 938 OD2 ASP A 61 -17.549 11.090 3.742 1.00 0.00 O ATOM 0 H ASP A 61 -18.413 11.049 1.929 1.00 0.00 H new ATOM 0 HA ASP A 61 -16.191 11.050 0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -16.672 8.978 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.153 9.717 2.042 1.00 0.00 H new ATOM 943 N LYS A 62 -17.670 8.094 0.073 1.00 0.00 N ATOM 944 CA LYS A 62 -17.779 6.901 -0.812 1.00 0.00 C ATOM 945 C LYS A 62 -17.933 7.286 -2.299 1.00 0.00 C ATOM 946 O LYS A 62 -17.362 6.627 -3.178 1.00 0.00 O ATOM 947 CB LYS A 62 -18.956 6.003 -0.382 1.00 0.00 C ATOM 948 CG LYS A 62 -19.678 5.265 -1.522 1.00 0.00 C ATOM 949 CD LYS A 62 -21.164 5.630 -1.595 1.00 0.00 C ATOM 950 CE LYS A 62 -21.418 6.997 -2.229 1.00 0.00 C ATOM 951 NZ LYS A 62 -22.260 6.894 -3.453 1.00 0.00 N ATOM 0 H LYS A 62 -18.303 8.079 0.872 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.846 6.348 -0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -18.585 5.264 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.684 6.617 0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -19.199 5.507 -2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -19.576 4.189 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -21.691 4.867 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.584 5.620 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -21.908 7.648 -1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -20.465 7.463 -2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -22.409 7.842 -3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -21.781 6.294 -4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -23.179 6.473 -3.208 1.00 0.00 H new ATOM 965 N VAL A 63 -18.690 8.364 -2.561 1.00 0.00 N ATOM 966 CA VAL A 63 -18.951 8.818 -3.930 1.00 0.00 C ATOM 967 C VAL A 63 -17.680 9.389 -4.580 1.00 0.00 C ATOM 968 O VAL A 63 -17.394 9.108 -5.760 1.00 0.00 O ATOM 969 CB VAL A 63 -20.157 9.818 -3.985 1.00 0.00 C ATOM 970 CG1 VAL A 63 -19.783 11.253 -3.631 1.00 0.00 C ATOM 971 CG2 VAL A 63 -20.852 9.760 -5.341 1.00 0.00 C ATOM 0 H VAL A 63 -19.131 8.935 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.243 7.950 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.851 9.488 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -20.669 11.885 -3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -19.382 11.285 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.030 11.616 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -21.685 10.463 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.142 10.024 -6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -21.226 8.751 -5.515 1.00 0.00 H new ATOM 981 N ARG A 64 -16.895 10.157 -3.798 1.00 0.00 N ATOM 982 CA ARG A 64 -15.631 10.728 -4.353 1.00 0.00 C ATOM 983 C ARG A 64 -14.651 9.613 -4.703 1.00 0.00 C ATOM 984 O ARG A 64 -14.051 9.611 -5.789 1.00 0.00 O ATOM 985 CB ARG A 64 -14.893 11.749 -3.446 1.00 0.00 C ATOM 986 CG ARG A 64 -15.395 11.895 -2.023 1.00 0.00 C ATOM 987 CD ARG A 64 -16.707 12.646 -1.985 1.00 0.00 C ATOM 988 NE ARG A 64 -16.588 14.037 -2.452 1.00 0.00 N ATOM 989 CZ ARG A 64 -16.589 15.114 -1.653 1.00 0.00 C ATOM 990 NH1 ARG A 64 -16.702 14.992 -0.332 1.00 0.00 N ATOM 991 NH2 ARG A 64 -16.477 16.323 -2.185 1.00 0.00 N ATOM 0 H ARG A 64 -17.091 10.394 -2.825 1.00 0.00 H new ATOM 0 HA ARG A 64 -15.960 11.280 -5.233 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.841 11.468 -3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.944 12.727 -3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.523 10.909 -1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.653 12.422 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -17.437 12.123 -2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -17.092 12.643 -0.965 1.00 0.00 H new ATOM 0 HE ARG A 64 -16.498 14.193 -3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -16.790 14.067 0.089 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -16.701 15.823 0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -16.391 16.429 -3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -16.477 17.147 -1.584 1.00 0.00 H new ATOM 1005 N GLY A 65 -14.521 8.647 -3.781 1.00 0.00 N ATOM 1006 CA GLY A 65 -13.619 7.523 -3.988 1.00 0.00 C ATOM 1007 C GLY A 65 -14.037 6.603 -5.122 1.00 0.00 C ATOM 1008 O GLY A 65 -13.175 6.067 -5.824 1.00 0.00 O ATOM 0 H GLY A 65 -15.027 8.628 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.619 7.905 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.557 6.944 -3.067 1.00 0.00 H new ATOM 1012 N THR A 66 -15.360 6.412 -5.307 1.00 0.00 N ATOM 1013 CA THR A 66 -15.860 5.554 -6.389 1.00 0.00 C ATOM 1014 C THR A 66 -15.565 6.193 -7.762 1.00 0.00 C ATOM 1015 O THR A 66 -15.136 5.507 -8.704 1.00 0.00 O ATOM 1016 CB THR A 66 -17.374 5.201 -6.232 1.00 0.00 C ATOM 1017 OG1 THR A 66 -17.718 4.139 -7.129 1.00 0.00 O ATOM 1018 CG2 THR A 66 -18.301 6.381 -6.495 1.00 0.00 C ATOM 0 H THR A 66 -16.087 6.835 -4.729 1.00 0.00 H new ATOM 0 HA THR A 66 -15.324 4.607 -6.324 1.00 0.00 H new ATOM 0 HB THR A 66 -17.513 4.902 -5.193 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.668 3.919 -7.027 1.00 0.00 H new ATOM 0 HG21 THR A 66 -19.337 6.065 -6.369 1.00 0.00 H new ATOM 0 HG22 THR A 66 -18.078 7.183 -5.791 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.153 6.740 -7.513 1.00 0.00 H new ATOM 1026 N LEU A 67 -15.772 7.527 -7.845 1.00 0.00 N ATOM 1027 CA LEU A 67 -15.499 8.293 -9.074 1.00 0.00 C ATOM 1028 C LEU A 67 -13.997 8.280 -9.398 1.00 0.00 C ATOM 1029 O LEU A 67 -13.599 8.174 -10.567 1.00 0.00 O ATOM 1030 CB LEU A 67 -15.995 9.737 -8.913 1.00 0.00 C ATOM 1031 CG LEU A 67 -17.519 9.919 -8.940 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -17.921 11.140 -8.128 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -18.025 10.049 -10.373 1.00 0.00 C ATOM 0 H LEU A 67 -16.127 8.092 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 67 -16.032 7.824 -9.901 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.616 10.130 -7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.560 10.343 -9.708 1.00 0.00 H new ATOM 0 HG LEU A 67 -17.975 9.035 -8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.004 11.256 -8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.597 11.013 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.450 12.028 -8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.107 10.177 -10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -17.560 10.914 -10.846 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -17.769 9.149 -10.932 1.00 0.00 H new ATOM 1045 N ALA A 68 -13.173 8.354 -8.336 1.00 0.00 N ATOM 1046 CA ALA A 68 -11.709 8.319 -8.457 1.00 0.00 C ATOM 1047 C ALA A 68 -11.268 6.922 -8.888 1.00 0.00 C ATOM 1048 O ALA A 68 -10.395 6.754 -9.756 1.00 0.00 O ATOM 1049 CB ALA A 68 -11.059 8.688 -7.130 1.00 0.00 C ATOM 0 H ALA A 68 -13.505 8.439 -7.375 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.395 9.044 -9.208 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.975 8.658 -7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.368 9.693 -6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.369 7.978 -6.363 1.00 0.00 H new ATOM 1055 N LYS A 69 -11.934 5.925 -8.280 1.00 0.00 N ATOM 1056 CA LYS A 69 -11.710 4.515 -8.548 1.00 0.00 C ATOM 1057 C LYS A 69 -11.836 4.227 -10.034 1.00 0.00 C ATOM 1058 O LYS A 69 -10.950 3.623 -10.606 1.00 0.00 O ATOM 1059 CB LYS A 69 -12.702 3.692 -7.728 1.00 0.00 C ATOM 1060 CG LYS A 69 -13.251 2.478 -8.454 1.00 0.00 C ATOM 1061 CD LYS A 69 -12.627 1.176 -7.966 1.00 0.00 C ATOM 1062 CE LYS A 69 -13.516 0.450 -6.965 1.00 0.00 C ATOM 1063 NZ LYS A 69 -13.228 -1.010 -6.920 1.00 0.00 N ATOM 0 H LYS A 69 -12.654 6.092 -7.577 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.697 4.238 -8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.214 3.363 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.533 4.333 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.331 2.434 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.070 2.586 -9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.436 0.525 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.662 1.388 -7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.371 0.879 -5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.562 0.605 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.041 -1.512 -6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.057 -1.360 -7.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.384 -1.180 -6.336 1.00 0.00 H new ATOM 1077 N LEU A 70 -12.947 4.674 -10.635 1.00 0.00 N ATOM 1078 CA LEU A 70 -13.187 4.499 -12.068 1.00 0.00 C ATOM 1079 C LEU A 70 -12.125 5.280 -12.869 1.00 0.00 C ATOM 1080 O LEU A 70 -11.494 4.733 -13.810 1.00 0.00 O ATOM 1081 CB LEU A 70 -14.638 4.945 -12.378 1.00 0.00 C ATOM 1082 CG LEU A 70 -14.898 5.650 -13.720 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -16.253 5.247 -14.280 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -14.824 7.161 -13.547 1.00 0.00 C ATOM 0 H LEU A 70 -13.696 5.162 -10.144 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.091 3.455 -12.365 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.277 4.063 -12.333 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.961 5.613 -11.580 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.127 5.342 -14.427 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -16.420 5.755 -15.230 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.276 4.169 -14.437 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.036 5.528 -13.576 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.010 7.646 -14.505 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.575 7.482 -12.826 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.833 7.438 -13.186 1.00 0.00 H new ATOM 1096 N GLU A 71 -11.882 6.537 -12.413 1.00 0.00 N ATOM 1097 CA GLU A 71 -10.903 7.452 -13.034 1.00 0.00 C ATOM 1098 C GLU A 71 -9.586 6.723 -13.335 1.00 0.00 C ATOM 1099 O GLU A 71 -8.999 6.901 -14.406 1.00 0.00 O ATOM 1100 CB GLU A 71 -10.708 8.689 -12.111 1.00 0.00 C ATOM 1101 CG GLU A 71 -9.293 8.930 -11.562 1.00 0.00 C ATOM 1102 CD GLU A 71 -8.408 9.690 -12.533 1.00 0.00 C ATOM 1103 OE1 GLU A 71 -8.459 10.938 -12.532 1.00 0.00 O ATOM 1104 OE2 GLU A 71 -7.663 9.036 -13.293 1.00 0.00 O ATOM 0 H GLU A 71 -12.361 6.938 -11.607 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.279 7.804 -13.995 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.013 9.577 -12.665 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.388 8.592 -11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.361 9.486 -10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.830 7.971 -11.329 1.00 0.00 H new ATOM 1111 N ALA A 72 -9.146 5.908 -12.372 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.933 5.114 -12.528 1.00 0.00 C ATOM 1113 C ALA A 72 -8.243 3.738 -13.106 1.00 0.00 C ATOM 1114 O ALA A 72 -7.557 3.277 -14.003 1.00 0.00 O ATOM 1115 CB ALA A 72 -7.222 4.969 -11.207 1.00 0.00 C ATOM 0 H ALA A 72 -9.616 5.784 -11.475 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.282 5.639 -13.227 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.319 4.374 -11.343 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.953 5.955 -10.829 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.879 4.473 -10.493 1.00 0.00 H new ATOM 1121 N PHE A 73 -9.319 3.110 -12.614 1.00 0.00 N ATOM 1122 CA PHE A 73 -9.754 1.764 -13.048 1.00 0.00 C ATOM 1123 C PHE A 73 -9.965 1.669 -14.568 1.00 0.00 C ATOM 1124 O PHE A 73 -10.331 0.611 -15.089 1.00 0.00 O ATOM 1125 CB PHE A 73 -11.055 1.391 -12.311 1.00 0.00 C ATOM 1126 CG PHE A 73 -10.976 0.187 -11.402 1.00 0.00 C ATOM 1127 CD1 PHE A 73 -10.098 0.155 -10.324 1.00 0.00 C ATOM 1128 CD2 PHE A 73 -11.798 -0.911 -11.619 1.00 0.00 C ATOM 1129 CE1 PHE A 73 -10.041 -0.944 -9.490 1.00 0.00 C ATOM 1130 CE2 PHE A 73 -11.741 -2.013 -10.788 1.00 0.00 C ATOM 1131 CZ PHE A 73 -10.862 -2.029 -9.723 1.00 0.00 C ATOM 0 H PHE A 73 -9.920 3.519 -11.899 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.958 1.063 -12.797 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.373 2.249 -11.719 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.832 1.211 -13.054 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.453 1.000 -10.137 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -12.490 -0.903 -12.448 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.355 -0.955 -8.656 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -12.383 -2.862 -10.971 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.817 -2.890 -9.073 1.00 0.00 H new ATOM 1141 N ALA A 74 -9.752 2.799 -15.260 1.00 0.00 N ATOM 1142 CA ALA A 74 -9.859 2.881 -16.720 1.00 0.00 C ATOM 1143 C ALA A 74 -9.250 1.684 -17.490 1.00 0.00 C ATOM 1144 O ALA A 74 -10.009 0.936 -18.114 1.00 0.00 O ATOM 1145 CB ALA A 74 -9.252 4.193 -17.207 1.00 0.00 C ATOM 0 H ALA A 74 -9.500 3.683 -14.818 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.926 2.843 -16.941 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.333 4.251 -18.292 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.787 5.030 -16.758 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.202 4.237 -16.919 1.00 0.00 H new ATOM 1151 N ASP A 75 -7.912 1.485 -17.464 1.00 0.00 N ATOM 1152 CA ASP A 75 -7.323 0.359 -18.214 1.00 0.00 C ATOM 1153 C ASP A 75 -6.221 -0.414 -17.486 1.00 0.00 C ATOM 1154 O ASP A 75 -6.413 -1.579 -17.123 1.00 0.00 O ATOM 1155 CB ASP A 75 -6.830 0.837 -19.595 1.00 0.00 C ATOM 1156 CG ASP A 75 -6.914 -0.245 -20.658 1.00 0.00 C ATOM 1157 OD1 ASP A 75 -5.927 -0.993 -20.822 1.00 0.00 O ATOM 1158 OD2 ASP A 75 -7.966 -0.343 -21.324 1.00 0.00 O ATOM 0 H ASP A 75 -7.246 2.064 -16.953 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.134 -0.360 -18.326 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.423 1.696 -19.910 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.798 1.176 -19.510 1.00 0.00 H new ATOM 1163 N THR A 76 -5.085 0.238 -17.277 1.00 0.00 N ATOM 1164 CA THR A 76 -3.915 -0.405 -16.666 1.00 0.00 C ATOM 1165 C THR A 76 -3.779 0.030 -15.217 1.00 0.00 C ATOM 1166 O THR A 76 -2.677 0.202 -14.680 1.00 0.00 O ATOM 1167 CB THR A 76 -2.628 -0.077 -17.470 1.00 0.00 C ATOM 1168 OG1 THR A 76 -2.913 -0.077 -18.876 1.00 0.00 O ATOM 1169 CG2 THR A 76 -1.513 -1.084 -17.193 1.00 0.00 C ATOM 0 H THR A 76 -4.942 1.218 -17.521 1.00 0.00 H new ATOM 0 HA THR A 76 -4.055 -1.486 -16.689 1.00 0.00 H new ATOM 0 HB THR A 76 -2.291 0.909 -17.152 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.096 0.132 -19.375 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.630 -0.819 -17.775 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.266 -1.070 -16.132 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.847 -2.083 -17.475 1.00 0.00 H new ATOM 1177 N VAL A 77 -4.939 0.182 -14.596 1.00 0.00 N ATOM 1178 CA VAL A 77 -5.050 0.622 -13.212 1.00 0.00 C ATOM 1179 C VAL A 77 -6.384 0.140 -12.620 1.00 0.00 C ATOM 1180 O VAL A 77 -7.075 0.887 -11.915 1.00 0.00 O ATOM 1181 CB VAL A 77 -4.920 2.171 -13.111 1.00 0.00 C ATOM 1182 CG1 VAL A 77 -3.502 2.540 -12.700 1.00 0.00 C ATOM 1183 CG2 VAL A 77 -5.283 2.870 -14.432 1.00 0.00 C ATOM 0 H VAL A 77 -5.838 0.002 -15.042 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.234 0.186 -12.636 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.627 2.515 -12.356 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.414 3.624 -12.630 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.276 2.094 -11.731 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.799 2.166 -13.444 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.178 3.948 -14.314 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.616 2.525 -15.222 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.313 2.633 -14.698 1.00 0.00 H new ATOM 1193 N ALA A 78 -6.735 -1.141 -12.904 1.00 0.00 N ATOM 1194 CA ALA A 78 -8.003 -1.719 -12.432 1.00 0.00 C ATOM 1195 C ALA A 78 -7.902 -3.214 -12.031 1.00 0.00 C ATOM 1196 O ALA A 78 -8.109 -3.525 -10.855 1.00 0.00 O ATOM 1197 CB ALA A 78 -9.096 -1.539 -13.487 1.00 0.00 C ATOM 0 H ALA A 78 -6.159 -1.780 -13.452 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.259 -1.172 -11.525 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.028 -1.972 -13.123 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.241 -0.477 -13.683 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.799 -2.040 -14.408 1.00 0.00 H new ATOM 1203 N PRO A 79 -7.588 -4.173 -12.973 1.00 0.00 N ATOM 1204 CA PRO A 79 -7.545 -5.609 -12.662 1.00 0.00 C ATOM 1205 C PRO A 79 -6.138 -6.147 -12.352 1.00 0.00 C ATOM 1206 O PRO A 79 -5.760 -7.231 -12.818 1.00 0.00 O ATOM 1207 CB PRO A 79 -8.096 -6.219 -13.968 1.00 0.00 C ATOM 1208 CG PRO A 79 -7.896 -5.182 -15.050 1.00 0.00 C ATOM 1209 CD PRO A 79 -7.250 -3.979 -14.402 1.00 0.00 C ATOM 0 HA PRO A 79 -8.103 -5.854 -11.758 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -7.572 -7.142 -14.215 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -9.151 -6.470 -13.863 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.265 -5.575 -15.847 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.849 -4.910 -15.503 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.173 -3.958 -14.566 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -7.650 -3.043 -14.791 1.00 0.00 H new ATOM 1217 N GLN A 80 -5.376 -5.403 -11.548 1.00 0.00 N ATOM 1218 CA GLN A 80 -4.016 -5.810 -11.212 1.00 0.00 C ATOM 1219 C GLN A 80 -3.776 -5.766 -9.693 1.00 0.00 C ATOM 1220 O GLN A 80 -3.138 -4.854 -9.179 1.00 0.00 O ATOM 1221 CB GLN A 80 -3.015 -4.929 -12.004 1.00 0.00 C ATOM 1222 CG GLN A 80 -3.168 -3.416 -11.824 1.00 0.00 C ATOM 1223 CD GLN A 80 -2.199 -2.630 -12.685 1.00 0.00 C ATOM 1224 OE1 GLN A 80 -2.498 -2.299 -13.831 1.00 0.00 O ATOM 1225 NE2 GLN A 80 -1.029 -2.327 -12.134 1.00 0.00 N ATOM 0 H GLN A 80 -5.676 -4.526 -11.123 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.861 -6.849 -11.504 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.003 -5.210 -11.711 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -3.116 -5.161 -13.064 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.189 -3.125 -12.072 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.009 -3.160 -10.777 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.823 -2.622 -11.180 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.336 -1.799 -12.665 1.00 0.00 H new ATOM 1234 N LEU A 81 -4.264 -6.800 -8.984 1.00 0.00 N ATOM 1235 CA LEU A 81 -4.134 -6.874 -7.511 1.00 0.00 C ATOM 1236 C LEU A 81 -4.390 -8.287 -6.968 1.00 0.00 C ATOM 1237 O LEU A 81 -4.779 -9.195 -7.709 1.00 0.00 O ATOM 1238 CB LEU A 81 -5.101 -5.866 -6.817 1.00 0.00 C ATOM 1239 CG LEU A 81 -6.604 -6.240 -6.758 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -7.372 -5.195 -5.971 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -7.213 -6.400 -8.149 1.00 0.00 C ATOM 0 H LEU A 81 -4.750 -7.594 -9.401 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.102 -6.610 -7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.752 -5.714 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.013 -4.908 -7.330 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.679 -7.204 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.427 -5.468 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.977 -5.141 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.264 -4.224 -6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.267 -6.662 -8.057 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.119 -5.463 -8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.689 -7.190 -8.687 1.00 0.00 H new ATOM 1253 N SER A 82 -4.160 -8.438 -5.656 1.00 0.00 N ATOM 1254 CA SER A 82 -4.378 -9.694 -4.946 1.00 0.00 C ATOM 1255 C SER A 82 -5.668 -9.589 -4.088 1.00 0.00 C ATOM 1256 O SER A 82 -6.209 -8.487 -3.954 1.00 0.00 O ATOM 1257 CB SER A 82 -3.152 -10.008 -4.077 1.00 0.00 C ATOM 1258 OG SER A 82 -2.749 -11.360 -4.220 1.00 0.00 O ATOM 0 H SER A 82 -3.816 -7.685 -5.060 1.00 0.00 H new ATOM 0 HA SER A 82 -4.510 -10.509 -5.658 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.329 -9.350 -4.355 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.383 -9.804 -3.031 1.00 0.00 H new ATOM 0 HG SER A 82 -1.966 -11.529 -3.656 1.00 0.00 H new ATOM 1264 N PRO A 83 -6.196 -10.721 -3.497 1.00 0.00 N ATOM 1265 CA PRO A 83 -7.444 -10.723 -2.679 1.00 0.00 C ATOM 1266 C PRO A 83 -7.630 -9.568 -1.688 1.00 0.00 C ATOM 1267 O PRO A 83 -8.757 -9.087 -1.531 1.00 0.00 O ATOM 1268 CB PRO A 83 -7.359 -12.052 -1.934 1.00 0.00 C ATOM 1269 CG PRO A 83 -6.656 -12.960 -2.874 1.00 0.00 C ATOM 1270 CD PRO A 83 -5.649 -12.106 -3.601 1.00 0.00 C ATOM 0 HA PRO A 83 -8.305 -10.593 -3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.811 -11.948 -0.998 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -8.350 -12.430 -1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.165 -13.772 -2.338 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.357 -13.417 -3.573 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.662 -12.179 -3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.543 -12.415 -4.641 1.00 0.00 H new ATOM 1278 N GLY A 84 -6.560 -9.122 -1.024 1.00 0.00 N ATOM 1279 CA GLY A 84 -6.716 -8.032 -0.075 1.00 0.00 C ATOM 1280 C GLY A 84 -5.462 -7.697 0.715 1.00 0.00 C ATOM 1281 O GLY A 84 -4.456 -8.402 0.625 1.00 0.00 O ATOM 0 H GLY A 84 -5.613 -9.486 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.039 -7.141 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.513 -8.287 0.624 1.00 0.00 H new ATOM 1285 N ASP A 85 -5.557 -6.611 1.522 1.00 0.00 N ATOM 1286 CA ASP A 85 -4.458 -6.093 2.393 1.00 0.00 C ATOM 1287 C ASP A 85 -3.082 -5.982 1.692 1.00 0.00 C ATOM 1288 O ASP A 85 -2.086 -6.537 2.169 1.00 0.00 O ATOM 1289 CB ASP A 85 -4.330 -6.902 3.715 1.00 0.00 C ATOM 1290 CG ASP A 85 -4.213 -8.409 3.536 1.00 0.00 C ATOM 1291 OD1 ASP A 85 -3.074 -8.905 3.407 1.00 0.00 O ATOM 1292 OD2 ASP A 85 -5.260 -9.089 3.524 1.00 0.00 O ATOM 0 H ASP A 85 -6.411 -6.058 1.591 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.761 -5.073 2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.454 -6.546 4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.199 -6.691 4.338 1.00 0.00 H new ATOM 1297 N ILE A 86 -3.043 -5.300 0.536 1.00 0.00 N ATOM 1298 CA ILE A 86 -1.784 -5.103 -0.209 1.00 0.00 C ATOM 1299 C ILE A 86 -1.742 -3.787 -1.012 1.00 0.00 C ATOM 1300 O ILE A 86 -2.779 -3.279 -1.456 1.00 0.00 O ATOM 1301 CB ILE A 86 -1.407 -6.311 -1.135 1.00 0.00 C ATOM 1302 CG1 ILE A 86 -2.561 -7.311 -1.329 1.00 0.00 C ATOM 1303 CG2 ILE A 86 -0.196 -7.034 -0.567 1.00 0.00 C ATOM 1304 CD1 ILE A 86 -3.476 -6.992 -2.489 1.00 0.00 C ATOM 0 H ILE A 86 -3.861 -4.878 0.097 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.028 -5.038 0.574 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.180 -5.895 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.142 -8.306 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.153 -7.346 -0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.063 -7.873 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.647 -6.345 -0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.428 -7.404 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.260 -7.747 -2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.928 -6.012 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.901 -6.987 -3.415 1.00 0.00 H new ATOM 1316 N VAL A 87 -0.514 -3.233 -1.125 1.00 0.00 N ATOM 1317 CA VAL A 87 -0.184 -2.027 -1.931 1.00 0.00 C ATOM 1318 C VAL A 87 1.258 -2.226 -2.471 1.00 0.00 C ATOM 1319 O VAL A 87 2.133 -2.597 -1.682 1.00 0.00 O ATOM 1320 CB VAL A 87 -0.318 -0.705 -1.099 1.00 0.00 C ATOM 1321 CG1 VAL A 87 0.536 -0.717 0.172 1.00 0.00 C ATOM 1322 CG2 VAL A 87 -0.004 0.531 -1.943 1.00 0.00 C ATOM 0 H VAL A 87 0.300 -3.620 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.890 -1.918 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.361 -0.652 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.404 0.223 0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.227 -1.545 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.586 -0.837 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.108 1.426 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.017 0.465 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.697 0.584 -2.783 1.00 0.00 H new ATOM 1332 N VAL A 88 1.534 -1.990 -3.785 1.00 0.00 N ATOM 1333 CA VAL A 88 2.889 -2.257 -4.301 1.00 0.00 C ATOM 1334 C VAL A 88 3.840 -1.063 -4.127 1.00 0.00 C ATOM 1335 O VAL A 88 3.529 0.054 -4.531 1.00 0.00 O ATOM 1336 CB VAL A 88 2.903 -2.692 -5.796 1.00 0.00 C ATOM 1337 CG1 VAL A 88 4.086 -3.608 -6.090 1.00 0.00 C ATOM 1338 CG2 VAL A 88 1.608 -3.366 -6.231 1.00 0.00 C ATOM 0 H VAL A 88 0.867 -1.633 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 88 3.245 -3.088 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 88 3.003 -1.774 -6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.071 -3.896 -7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.016 -3.083 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.018 -4.501 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.679 -3.646 -7.282 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.442 -4.259 -5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.775 -2.676 -6.095 1.00 0.00 H new ATOM 1348 N ALA A 89 4.992 -1.346 -3.491 1.00 0.00 N ATOM 1349 CA ALA A 89 6.072 -0.385 -3.251 1.00 0.00 C ATOM 1350 C ALA A 89 7.392 -1.148 -3.286 1.00 0.00 C ATOM 1351 O ALA A 89 7.795 -1.766 -2.293 1.00 0.00 O ATOM 1352 CB ALA A 89 5.883 0.333 -1.913 1.00 0.00 C ATOM 0 H ALA A 89 5.198 -2.275 -3.122 1.00 0.00 H new ATOM 0 HA ALA A 89 6.066 0.385 -4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.699 1.040 -1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.934 0.869 -1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.881 -0.398 -1.105 1.00 0.00 H new ATOM 1358 N LEU A 90 8.054 -1.123 -4.444 1.00 0.00 N ATOM 1359 CA LEU A 90 9.300 -1.862 -4.624 1.00 0.00 C ATOM 1360 C LEU A 90 10.445 -0.975 -5.083 1.00 0.00 C ATOM 1361 O LEU A 90 10.229 -0.046 -5.843 1.00 0.00 O ATOM 1362 CB LEU A 90 9.085 -3.028 -5.621 1.00 0.00 C ATOM 1363 CG LEU A 90 8.660 -2.712 -7.096 1.00 0.00 C ATOM 1364 CD1 LEU A 90 8.163 -3.968 -7.792 1.00 0.00 C ATOM 1365 CD2 LEU A 90 7.577 -1.642 -7.216 1.00 0.00 C ATOM 0 H LEU A 90 7.749 -0.601 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 90 9.583 -2.262 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.014 -3.597 -5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.327 -3.686 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 90 9.561 -2.326 -7.573 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.873 -3.727 -8.815 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.957 -4.714 -7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.302 -4.365 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.339 -1.481 -8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.682 -1.969 -6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.936 -0.710 -6.779 1.00 0.00 H new ATOM 1377 N GLY A 91 11.651 -1.247 -4.561 1.00 0.00 N ATOM 1378 CA GLY A 91 12.845 -0.497 -4.959 1.00 0.00 C ATOM 1379 C GLY A 91 12.956 0.874 -4.315 1.00 0.00 C ATOM 1380 O GLY A 91 12.899 0.993 -3.090 1.00 0.00 O ATOM 0 H GLY A 91 11.821 -1.976 -3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.730 -1.080 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 91 12.843 -0.379 -6.043 1.00 0.00 H new ATOM 1384 N HIS A 92 13.100 1.912 -5.157 1.00 0.00 N ATOM 1385 CA HIS A 92 13.228 3.313 -4.685 1.00 0.00 C ATOM 1386 C HIS A 92 11.918 3.776 -4.058 1.00 0.00 C ATOM 1387 O HIS A 92 11.132 4.523 -4.651 1.00 0.00 O ATOM 1388 CB HIS A 92 13.632 4.244 -5.829 1.00 0.00 C ATOM 1389 CG HIS A 92 14.054 5.620 -5.395 1.00 0.00 C ATOM 1390 ND1 HIS A 92 15.373 6.007 -5.296 1.00 0.00 N ATOM 1391 CD2 HIS A 92 13.319 6.699 -5.034 1.00 0.00 C ATOM 1392 CE1 HIS A 92 15.432 7.264 -4.894 1.00 0.00 C ATOM 1393 NE2 HIS A 92 14.200 7.707 -4.728 1.00 0.00 N ATOM 0 H HIS A 92 13.131 1.813 -6.172 1.00 0.00 H new ATOM 0 HA HIS A 92 14.014 3.349 -3.930 1.00 0.00 H new ATOM 0 HB2 HIS A 92 14.451 3.784 -6.382 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.793 4.336 -6.519 1.00 0.00 H new ATOM 0 HD2 HIS A 92 12.241 6.756 -4.994 1.00 0.00 H new ATOM 0 HE1 HIS A 92 16.335 7.833 -4.729 1.00 0.00 H new ATOM 0 HE2 HIS A 92 13.944 8.646 -4.422 1.00 0.00 H new ATOM 1402 N THR A 93 11.712 3.297 -2.853 1.00 0.00 N ATOM 1403 CA THR A 93 10.508 3.568 -2.090 1.00 0.00 C ATOM 1404 C THR A 93 10.897 4.047 -0.682 1.00 0.00 C ATOM 1405 O THR A 93 11.517 3.284 0.063 1.00 0.00 O ATOM 1406 CB THR A 93 9.616 2.289 -2.049 1.00 0.00 C ATOM 1407 OG1 THR A 93 10.230 1.276 -1.238 1.00 0.00 O ATOM 1408 CG2 THR A 93 9.410 1.741 -3.466 1.00 0.00 C ATOM 0 H THR A 93 12.381 2.701 -2.366 1.00 0.00 H new ATOM 0 HA THR A 93 9.927 4.359 -2.564 1.00 0.00 H new ATOM 0 HB THR A 93 8.652 2.560 -1.619 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.899 1.687 -0.652 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.786 0.848 -3.424 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.921 2.497 -4.081 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.376 1.488 -3.902 1.00 0.00 H new ATOM 1416 N PRO A 94 10.558 5.324 -0.292 1.00 0.00 N ATOM 1417 CA PRO A 94 10.935 5.880 1.030 1.00 0.00 C ATOM 1418 C PRO A 94 10.300 5.131 2.212 1.00 0.00 C ATOM 1419 O PRO A 94 9.292 5.564 2.786 1.00 0.00 O ATOM 1420 CB PRO A 94 10.460 7.342 0.963 1.00 0.00 C ATOM 1421 CG PRO A 94 9.412 7.376 -0.095 1.00 0.00 C ATOM 1422 CD PRO A 94 9.784 6.312 -1.092 1.00 0.00 C ATOM 0 HA PRO A 94 12.005 5.784 1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.059 7.668 1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 94 11.285 8.011 0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.426 7.185 0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.370 8.356 -0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.900 5.858 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.381 6.720 -1.908 1.00 0.00 H new ATOM 1430 N VAL A 95 10.913 3.991 2.551 1.00 0.00 N ATOM 1431 CA VAL A 95 10.452 3.133 3.648 1.00 0.00 C ATOM 1432 C VAL A 95 11.601 2.312 4.239 1.00 0.00 C ATOM 1433 O VAL A 95 11.799 2.294 5.457 1.00 0.00 O ATOM 1434 CB VAL A 95 9.311 2.155 3.217 1.00 0.00 C ATOM 1435 CG1 VAL A 95 7.973 2.875 3.177 1.00 0.00 C ATOM 1436 CG2 VAL A 95 9.585 1.492 1.861 1.00 0.00 C ATOM 0 H VAL A 95 11.742 3.638 2.073 1.00 0.00 H new ATOM 0 HA VAL A 95 10.056 3.815 4.401 1.00 0.00 H new ATOM 0 HB VAL A 95 9.278 1.366 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.193 2.176 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.743 3.270 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.023 3.695 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.762 0.823 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.676 2.260 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.512 0.921 1.916 1.00 0.00 H new ATOM 1446 N GLY A 96 12.354 1.646 3.354 1.00 0.00 N ATOM 1447 CA GLY A 96 13.456 0.798 3.777 1.00 0.00 C ATOM 1448 C GLY A 96 14.806 1.471 3.724 1.00 0.00 C ATOM 1449 O GLY A 96 15.214 1.989 2.681 1.00 0.00 O ATOM 0 H GLY A 96 12.214 1.683 2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.270 0.460 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.480 -0.091 3.146 1.00 0.00 H new ATOM 1453 N GLY A 97 15.492 1.454 4.874 1.00 0.00 N ATOM 1454 CA GLY A 97 16.841 2.013 4.977 1.00 0.00 C ATOM 1455 C GLY A 97 17.891 1.022 4.485 1.00 0.00 C ATOM 1456 O GLY A 97 19.096 1.277 4.563 1.00 0.00 O ATOM 0 H GLY A 97 15.133 1.059 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.902 2.931 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.048 2.281 6.013 1.00 0.00 H new ATOM 1460 N ILE A 98 17.391 -0.114 3.977 1.00 0.00 N ATOM 1461 CA ILE A 98 18.197 -1.202 3.424 1.00 0.00 C ATOM 1462 C ILE A 98 18.630 -0.832 1.983 1.00 0.00 C ATOM 1463 O ILE A 98 18.258 0.237 1.492 1.00 0.00 O ATOM 1464 CB ILE A 98 17.384 -2.564 3.511 1.00 0.00 C ATOM 1465 CG1 ILE A 98 17.892 -3.668 2.561 1.00 0.00 C ATOM 1466 CG2 ILE A 98 15.887 -2.347 3.278 1.00 0.00 C ATOM 1467 CD1 ILE A 98 19.123 -4.399 3.061 1.00 0.00 C ATOM 0 H ILE A 98 16.389 -0.302 3.940 1.00 0.00 H new ATOM 0 HA ILE A 98 19.109 -1.348 4.003 1.00 0.00 H new ATOM 0 HB ILE A 98 17.554 -2.915 4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 98 17.093 -4.392 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 98 18.116 -3.223 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.366 -3.302 3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.496 -1.666 4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.731 -1.918 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 98 19.415 -5.158 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 98 19.940 -3.689 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 98 18.900 -4.876 4.015 1.00 0.00 H new ATOM 1479 N PHE A 99 19.440 -1.684 1.335 1.00 0.00 N ATOM 1480 CA PHE A 99 19.898 -1.417 -0.031 1.00 0.00 C ATOM 1481 C PHE A 99 19.749 -2.651 -0.931 1.00 0.00 C ATOM 1482 O PHE A 99 20.651 -3.494 -1.017 1.00 0.00 O ATOM 1483 CB PHE A 99 21.357 -0.936 -0.021 1.00 0.00 C ATOM 1484 CG PHE A 99 21.547 0.422 0.601 1.00 0.00 C ATOM 1485 CD1 PHE A 99 21.465 1.570 -0.172 1.00 0.00 C ATOM 1486 CD2 PHE A 99 21.806 0.548 1.956 1.00 0.00 C ATOM 1487 CE1 PHE A 99 21.638 2.818 0.396 1.00 0.00 C ATOM 1488 CE2 PHE A 99 21.980 1.793 2.530 1.00 0.00 C ATOM 1489 CZ PHE A 99 21.896 2.930 1.749 1.00 0.00 C ATOM 0 H PHE A 99 19.787 -2.556 1.734 1.00 0.00 H new ATOM 0 HA PHE A 99 19.267 -0.630 -0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 99 21.965 -1.661 0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 99 21.728 -0.911 -1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 99 21.264 1.488 -1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 99 21.873 -0.337 2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 99 21.572 3.705 -0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 99 22.181 1.877 3.588 1.00 0.00 H new ATOM 0 HZ PHE A 99 22.032 3.904 2.195 1.00 0.00 H new ATOM 1499 N ASP A 100 18.581 -2.743 -1.591 1.00 0.00 N ATOM 1500 CA ASP A 100 18.262 -3.820 -2.534 1.00 0.00 C ATOM 1501 C ASP A 100 17.172 -3.367 -3.503 1.00 0.00 C ATOM 1502 O ASP A 100 16.068 -3.035 -3.090 1.00 0.00 O ATOM 1503 CB ASP A 100 17.770 -5.086 -1.807 1.00 0.00 C ATOM 1504 CG ASP A 100 18.868 -5.810 -1.053 1.00 0.00 C ATOM 1505 OD1 ASP A 100 18.987 -5.598 0.172 1.00 0.00 O ATOM 1506 OD2 ASP A 100 19.611 -6.587 -1.689 1.00 0.00 O ATOM 0 H ASP A 100 17.828 -2.064 -1.481 1.00 0.00 H new ATOM 0 HA ASP A 100 19.179 -4.055 -3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 100 16.980 -4.811 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.329 -5.767 -2.535 1.00 0.00 H new ATOM 1511 N LEU A 101 17.466 -3.421 -4.797 1.00 0.00 N ATOM 1512 CA LEU A 101 16.498 -3.047 -5.831 1.00 0.00 C ATOM 1513 C LEU A 101 16.137 -4.275 -6.653 1.00 0.00 C ATOM 1514 O LEU A 101 17.018 -4.962 -7.171 1.00 0.00 O ATOM 1515 CB LEU A 101 17.066 -1.956 -6.740 1.00 0.00 C ATOM 1516 CG LEU A 101 16.229 -0.671 -6.888 1.00 0.00 C ATOM 1517 CD1 LEU A 101 16.296 0.187 -5.627 1.00 0.00 C ATOM 1518 CD2 LEU A 101 16.722 0.124 -8.087 1.00 0.00 C ATOM 0 H LEU A 101 18.371 -3.721 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 101 15.603 -2.654 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 101 18.051 -1.679 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.212 -2.383 -7.732 1.00 0.00 H new ATOM 0 HG LEU A 101 15.188 -0.957 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.695 1.085 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.911 -0.380 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 101 17.331 0.469 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.129 1.033 -8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.769 0.389 -7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 101 16.622 -0.479 -8.989 1.00 0.00 H new ATOM 1530 N LYS A 102 14.854 -4.617 -6.665 1.00 0.00 N ATOM 1531 CA LYS A 102 14.382 -5.758 -7.438 1.00 0.00 C ATOM 1532 C LYS A 102 13.890 -5.357 -8.832 1.00 0.00 C ATOM 1533 O LYS A 102 12.851 -4.707 -8.984 1.00 0.00 O ATOM 1534 CB LYS A 102 13.308 -6.535 -6.649 1.00 0.00 C ATOM 1535 CG LYS A 102 12.104 -5.701 -6.199 1.00 0.00 C ATOM 1536 CD LYS A 102 10.889 -5.898 -7.100 1.00 0.00 C ATOM 1537 CE LYS A 102 9.792 -6.717 -6.422 1.00 0.00 C ATOM 1538 NZ LYS A 102 9.395 -6.170 -5.092 1.00 0.00 N ATOM 0 H LYS A 102 14.125 -4.123 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 102 15.232 -6.421 -7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 102 12.950 -7.358 -7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.774 -6.977 -5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.841 -5.970 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.379 -4.646 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.489 -4.925 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.197 -6.398 -8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.917 -6.750 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.136 -7.744 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.582 -6.879 -4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.945 -5.310 -4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.381 -5.939 -5.100 1.00 0.00 H new ATOM 1552 N VAL A 103 14.685 -5.725 -9.844 1.00 0.00 N ATOM 1553 CA VAL A 103 14.360 -5.446 -11.246 1.00 0.00 C ATOM 1554 C VAL A 103 14.821 -6.630 -12.122 1.00 0.00 C ATOM 1555 O VAL A 103 15.960 -6.659 -12.608 1.00 0.00 O ATOM 1556 CB VAL A 103 14.986 -4.101 -11.760 1.00 0.00 C ATOM 1557 CG1 VAL A 103 14.531 -3.779 -13.184 1.00 0.00 C ATOM 1558 CG2 VAL A 103 14.633 -2.934 -10.840 1.00 0.00 C ATOM 0 H VAL A 103 15.566 -6.222 -9.714 1.00 0.00 H new ATOM 0 HA VAL A 103 13.279 -5.327 -11.318 1.00 0.00 H new ATOM 0 HB VAL A 103 16.067 -4.239 -11.758 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.984 -2.842 -13.507 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.839 -4.581 -13.855 1.00 0.00 H new ATOM 0 HG13 VAL A 103 13.445 -3.685 -13.206 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.082 -2.018 -11.225 1.00 0.00 H new ATOM 0 HG22 VAL A 103 13.550 -2.818 -10.799 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.015 -3.132 -9.838 1.00 0.00 H new ATOM 1568 N GLY A 104 13.931 -7.627 -12.265 1.00 0.00 N ATOM 1569 CA GLY A 104 14.198 -8.823 -13.079 1.00 0.00 C ATOM 1570 C GLY A 104 15.481 -9.558 -12.727 1.00 0.00 C ATOM 1571 O GLY A 104 15.526 -10.296 -11.740 1.00 0.00 O ATOM 0 H GLY A 104 13.012 -7.626 -11.822 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.360 -9.512 -12.973 1.00 0.00 H new ATOM 0 HA3 GLY A 104 14.239 -8.530 -14.128 1.00 0.00 H new ATOM 1575 N SER A 105 16.525 -9.350 -13.548 1.00 0.00 N ATOM 1576 CA SER A 105 17.840 -9.974 -13.327 1.00 0.00 C ATOM 1577 C SER A 105 18.603 -9.236 -12.213 1.00 0.00 C ATOM 1578 O SER A 105 19.799 -9.457 -11.986 1.00 0.00 O ATOM 1579 CB SER A 105 18.649 -9.971 -14.629 1.00 0.00 C ATOM 1580 OG SER A 105 17.980 -10.694 -15.648 1.00 0.00 O ATOM 0 H SER A 105 16.482 -8.752 -14.373 1.00 0.00 H new ATOM 0 HA SER A 105 17.691 -11.007 -13.013 1.00 0.00 H new ATOM 0 HB2 SER A 105 18.814 -8.944 -14.956 1.00 0.00 H new ATOM 0 HB3 SER A 105 19.631 -10.411 -14.452 1.00 0.00 H new ATOM 0 HG SER A 105 18.516 -10.675 -16.468 1.00 0.00 H new ATOM 1586 N THR A 106 17.858 -8.376 -11.520 1.00 0.00 N ATOM 1587 CA THR A 106 18.349 -7.566 -10.417 1.00 0.00 C ATOM 1588 C THR A 106 17.294 -7.603 -9.310 1.00 0.00 C ATOM 1589 O THR A 106 17.142 -6.662 -8.535 1.00 0.00 O ATOM 1590 CB THR A 106 18.564 -6.104 -10.875 1.00 0.00 C ATOM 1591 OG1 THR A 106 19.024 -6.073 -12.229 1.00 0.00 O ATOM 1592 CG2 THR A 106 19.564 -5.374 -9.983 1.00 0.00 C ATOM 0 H THR A 106 16.870 -8.223 -11.719 1.00 0.00 H new ATOM 0 HA THR A 106 19.303 -7.956 -10.062 1.00 0.00 H new ATOM 0 HB THR A 106 17.604 -5.594 -10.799 1.00 0.00 H new ATOM 0 HG1 THR A 106 18.268 -6.224 -12.835 1.00 0.00 H new ATOM 0 HG21 THR A 106 19.688 -4.351 -10.337 1.00 0.00 H new ATOM 0 HG22 THR A 106 19.195 -5.361 -8.957 1.00 0.00 H new ATOM 0 HG23 THR A 106 20.524 -5.888 -10.016 1.00 0.00 H new ATOM 1600 N LYS A 107 16.582 -8.727 -9.252 1.00 0.00 N ATOM 1601 CA LYS A 107 15.489 -8.938 -8.311 1.00 0.00 C ATOM 1602 C LYS A 107 15.967 -9.072 -6.841 1.00 0.00 C ATOM 1603 O LYS A 107 16.217 -10.176 -6.343 1.00 0.00 O ATOM 1604 CB LYS A 107 14.691 -10.160 -8.794 1.00 0.00 C ATOM 1605 CG LYS A 107 13.257 -10.234 -8.281 1.00 0.00 C ATOM 1606 CD LYS A 107 12.384 -11.095 -9.186 1.00 0.00 C ATOM 1607 CE LYS A 107 11.640 -10.256 -10.215 1.00 0.00 C ATOM 1608 NZ LYS A 107 10.680 -11.071 -11.009 1.00 0.00 N ATOM 0 H LYS A 107 16.752 -9.524 -9.865 1.00 0.00 H new ATOM 0 HA LYS A 107 14.845 -8.058 -8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 107 14.672 -10.156 -9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.218 -11.064 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.251 -10.644 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.839 -9.229 -8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.005 -11.831 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.666 -11.648 -8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.103 -9.454 -9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.358 -9.785 -10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.194 -10.462 -11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.195 -11.821 -11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.979 -11.500 -10.372 1.00 0.00 H new ATOM 1622 N HIS A 108 16.105 -7.905 -6.175 1.00 0.00 N ATOM 1623 CA HIS A 108 16.498 -7.818 -4.761 1.00 0.00 C ATOM 1624 C HIS A 108 15.729 -6.647 -4.152 1.00 0.00 C ATOM 1625 O HIS A 108 16.065 -5.510 -4.386 1.00 0.00 O ATOM 1626 CB HIS A 108 18.016 -7.605 -4.579 1.00 0.00 C ATOM 1627 CG HIS A 108 18.882 -8.530 -5.386 1.00 0.00 C ATOM 1628 ND1 HIS A 108 18.787 -9.905 -5.325 1.00 0.00 N ATOM 1629 CD2 HIS A 108 19.851 -8.263 -6.294 1.00 0.00 C ATOM 1630 CE1 HIS A 108 19.660 -10.442 -6.160 1.00 0.00 C ATOM 1631 NE2 HIS A 108 20.317 -9.467 -6.759 1.00 0.00 N ATOM 0 H HIS A 108 15.945 -6.996 -6.609 1.00 0.00 H new ATOM 0 HA HIS A 108 16.261 -8.759 -4.265 1.00 0.00 H new ATOM 0 HB2 HIS A 108 18.259 -6.577 -4.846 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.262 -7.727 -3.524 1.00 0.00 H new ATOM 0 HD2 HIS A 108 20.193 -7.284 -6.596 1.00 0.00 H new ATOM 0 HE1 HIS A 108 19.810 -11.499 -6.324 1.00 0.00 H new ATOM 0 HE2 HIS A 108 21.052 -9.589 -7.455 1.00 0.00 H new ATOM 1640 N THR A 109 14.706 -6.931 -3.366 1.00 0.00 N ATOM 1641 CA THR A 109 13.848 -5.871 -2.808 1.00 0.00 C ATOM 1642 C THR A 109 14.238 -5.371 -1.416 1.00 0.00 C ATOM 1643 O THR A 109 14.455 -6.154 -0.493 1.00 0.00 O ATOM 1644 CB THR A 109 12.372 -6.338 -2.733 1.00 0.00 C ATOM 1645 OG1 THR A 109 12.077 -7.273 -3.776 1.00 0.00 O ATOM 1646 CG2 THR A 109 11.398 -5.159 -2.806 1.00 0.00 C ATOM 0 H THR A 109 14.440 -7.877 -3.094 1.00 0.00 H new ATOM 0 HA THR A 109 13.986 -5.041 -3.501 1.00 0.00 H new ATOM 0 HB THR A 109 12.243 -6.828 -1.768 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.279 -7.789 -3.537 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.374 -5.529 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 109 11.585 -4.481 -1.973 1.00 0.00 H new ATOM 0 HG23 THR A 109 11.541 -4.627 -3.746 1.00 0.00 H new ATOM 1654 N LEU A 110 14.324 -4.036 -1.312 1.00 0.00 N ATOM 1655 CA LEU A 110 14.567 -3.347 -0.042 1.00 0.00 C ATOM 1656 C LEU A 110 13.262 -2.625 0.399 1.00 0.00 C ATOM 1657 O LEU A 110 12.962 -1.528 -0.081 1.00 0.00 O ATOM 1658 CB LEU A 110 15.758 -2.342 -0.214 1.00 0.00 C ATOM 1659 CG LEU A 110 15.461 -0.933 -0.820 1.00 0.00 C ATOM 1660 CD1 LEU A 110 16.729 -0.113 -0.933 1.00 0.00 C ATOM 1661 CD2 LEU A 110 14.802 -1.014 -2.190 1.00 0.00 C ATOM 0 H LEU A 110 14.227 -3.406 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 110 14.842 -4.060 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 110 16.210 -2.193 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.509 -2.822 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 110 14.766 -0.449 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 110 16.494 0.863 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 110 17.167 0.018 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 110 17.439 -0.629 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.618 -0.007 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 110 15.460 -1.543 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.856 -1.549 -2.108 1.00 0.00 H new ATOM 1673 N GLN A 111 12.446 -3.237 1.279 1.00 0.00 N ATOM 1674 CA GLN A 111 11.208 -2.560 1.709 1.00 0.00 C ATOM 1675 C GLN A 111 10.825 -2.894 3.158 1.00 0.00 C ATOM 1676 O GLN A 111 10.162 -3.895 3.432 1.00 0.00 O ATOM 1677 CB GLN A 111 10.056 -2.901 0.733 1.00 0.00 C ATOM 1678 CG GLN A 111 8.813 -2.017 0.882 1.00 0.00 C ATOM 1679 CD GLN A 111 7.520 -2.725 0.497 1.00 0.00 C ATOM 1680 OE1 GLN A 111 7.494 -3.580 -0.393 1.00 0.00 O ATOM 1681 NE2 GLN A 111 6.433 -2.368 1.170 1.00 0.00 N ATOM 0 H GLN A 111 12.609 -4.156 1.690 1.00 0.00 H new ATOM 0 HA GLN A 111 11.393 -1.486 1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.426 -2.817 -0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.766 -3.941 0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 111 8.739 -1.677 1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 111 8.931 -1.129 0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 111 6.495 -1.657 1.899 1.00 0.00 H new ATOM 0 HE22 GLN A 111 5.536 -2.805 0.958 1.00 0.00 H new ATOM 1690 N ALA A 112 11.256 -2.020 4.067 1.00 0.00 N ATOM 1691 CA ALA A 112 10.959 -2.140 5.497 1.00 0.00 C ATOM 1692 C ALA A 112 10.047 -1.010 5.963 1.00 0.00 C ATOM 1693 O ALA A 112 10.508 0.121 6.160 1.00 0.00 O ATOM 1694 CB ALA A 112 12.248 -2.184 6.311 1.00 0.00 C ATOM 0 H ALA A 112 11.823 -1.205 3.833 1.00 0.00 H new ATOM 0 HA ALA A 112 10.428 -3.078 5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 112 12.007 -2.273 7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.845 -3.042 6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.815 -1.268 6.144 1.00 0.00 H new ATOM 1700 N ILE A 113 8.749 -1.301 6.123 1.00 0.00 N ATOM 1701 CA ILE A 113 7.816 -0.274 6.583 1.00 0.00 C ATOM 1702 C ILE A 113 7.209 -0.610 7.954 1.00 0.00 C ATOM 1703 O ILE A 113 7.489 0.096 8.924 1.00 0.00 O ATOM 1704 CB ILE A 113 6.717 0.101 5.514 1.00 0.00 C ATOM 1705 CG1 ILE A 113 5.681 1.098 6.078 1.00 0.00 C ATOM 1706 CG2 ILE A 113 6.018 -1.111 4.908 1.00 0.00 C ATOM 1707 CD1 ILE A 113 6.136 2.544 6.086 1.00 0.00 C ATOM 0 H ILE A 113 8.333 -2.215 5.945 1.00 0.00 H new ATOM 0 HA ILE A 113 8.414 0.628 6.715 1.00 0.00 H new ATOM 0 HB ILE A 113 7.261 0.587 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.766 1.022 5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.431 0.804 7.097 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.276 -0.778 4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.753 -1.744 4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.525 -1.679 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.346 3.172 6.498 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.032 2.640 6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.357 2.861 5.067 1.00 0.00 H new ATOM 1719 N GLU A 114 6.379 -1.667 8.045 1.00 0.00 N ATOM 1720 CA GLU A 114 5.729 -2.026 9.335 1.00 0.00 C ATOM 1721 C GLU A 114 5.146 -3.449 9.262 1.00 0.00 C ATOM 1722 O GLU A 114 5.429 -4.173 8.318 1.00 0.00 O ATOM 1723 CB GLU A 114 4.645 -0.931 9.653 1.00 0.00 C ATOM 1724 CG GLU A 114 3.410 -1.361 10.455 1.00 0.00 C ATOM 1725 CD GLU A 114 3.625 -1.288 11.954 1.00 0.00 C ATOM 1726 OE1 GLU A 114 4.049 -2.303 12.545 1.00 0.00 O ATOM 1727 OE2 GLU A 114 3.369 -0.214 12.538 1.00 0.00 O ATOM 0 H GLU A 114 6.142 -2.279 7.264 1.00 0.00 H new ATOM 0 HA GLU A 114 6.452 -2.041 10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.134 -0.123 10.198 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.301 -0.514 8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.567 -0.726 10.183 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.142 -2.381 10.181 1.00 0.00 H new ATOM 1734 N THR A 115 4.426 -3.881 10.307 1.00 0.00 N ATOM 1735 CA THR A 115 3.752 -5.172 10.282 1.00 0.00 C ATOM 1736 C THR A 115 2.251 -4.941 10.530 1.00 0.00 C ATOM 1737 O THR A 115 1.744 -5.119 11.645 1.00 0.00 O ATOM 1738 CB THR A 115 4.338 -6.153 11.336 1.00 0.00 C ATOM 1739 OG1 THR A 115 5.739 -5.907 11.518 1.00 0.00 O ATOM 1740 CG2 THR A 115 4.139 -7.604 10.910 1.00 0.00 C ATOM 0 H THR A 115 4.300 -3.354 11.171 1.00 0.00 H new ATOM 0 HA THR A 115 3.907 -5.634 9.307 1.00 0.00 H new ATOM 0 HB THR A 115 3.808 -5.985 12.273 1.00 0.00 H new ATOM 0 HG1 THR A 115 6.096 -6.530 12.185 1.00 0.00 H new ATOM 0 HG21 THR A 115 4.559 -8.266 11.667 1.00 0.00 H new ATOM 0 HG22 THR A 115 3.074 -7.808 10.800 1.00 0.00 H new ATOM 0 HG23 THR A 115 4.642 -7.776 9.958 1.00 0.00 H new ATOM 1748 N ARG A 116 1.561 -4.515 9.461 1.00 0.00 N ATOM 1749 CA ARG A 116 0.118 -4.248 9.490 1.00 0.00 C ATOM 1750 C ARG A 116 -0.562 -4.859 8.269 1.00 0.00 C ATOM 1751 O ARG A 116 -0.173 -4.563 7.138 1.00 0.00 O ATOM 1752 CB ARG A 116 -0.158 -2.741 9.549 1.00 0.00 C ATOM 1753 CG ARG A 116 0.038 -2.138 10.932 1.00 0.00 C ATOM 1754 CD ARG A 116 -0.317 -0.660 10.951 1.00 0.00 C ATOM 1755 NE ARG A 116 -0.127 -0.067 12.279 1.00 0.00 N ATOM 1756 CZ ARG A 116 -0.419 1.203 12.597 1.00 0.00 C ATOM 1757 NH1 ARG A 116 -0.922 2.042 11.693 1.00 0.00 N ATOM 1758 NH2 ARG A 116 -0.206 1.633 13.833 1.00 0.00 N ATOM 0 H ARG A 116 1.990 -4.346 8.551 1.00 0.00 H new ATOM 0 HA ARG A 116 -0.293 -4.708 10.389 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.499 -2.232 8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -1.181 -2.555 9.223 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -0.581 -2.671 11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.074 -2.268 11.243 1.00 0.00 H new ATOM 0 HD2 ARG A 116 0.300 -0.130 10.225 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -1.354 -0.532 10.642 1.00 0.00 H new ATOM 0 HE ARG A 116 0.255 -0.663 13.013 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -1.092 1.722 10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.138 3.004 11.954 1.00 0.00 H new ATOM 0 HH21 ARG A 116 0.177 0.999 14.534 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -0.426 2.597 14.082 1.00 0.00 H new ATOM 1772 N VAL A 117 -1.549 -5.726 8.505 1.00 0.00 N ATOM 1773 CA VAL A 117 -2.288 -6.386 7.425 1.00 0.00 C ATOM 1774 C VAL A 117 -3.818 -6.261 7.591 1.00 0.00 C ATOM 1775 O VAL A 117 -4.426 -7.097 8.273 1.00 0.00 O ATOM 1776 CB VAL A 117 -1.903 -7.901 7.300 1.00 0.00 C ATOM 1777 CG1 VAL A 117 -0.562 -8.069 6.602 1.00 0.00 C ATOM 1778 CG2 VAL A 117 -1.868 -8.609 8.660 1.00 0.00 C ATOM 0 H VAL A 117 -1.857 -5.989 9.441 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.000 -5.866 6.511 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.683 -8.368 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.320 -9.129 6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.616 -7.640 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.213 -7.559 7.174 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.597 -9.655 8.519 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.131 -8.127 9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.851 -8.549 9.127 1.00 0.00 H new ATOM 1788 N LEU A 118 -4.458 -5.226 7.008 1.00 0.00 N ATOM 1789 CA LEU A 118 -5.912 -5.137 7.105 1.00 0.00 C ATOM 1790 C LEU A 118 -6.527 -5.477 5.749 1.00 0.00 C ATOM 1791 O LEU A 118 -6.296 -4.774 4.763 1.00 0.00 O ATOM 1792 CB LEU A 118 -6.367 -3.751 7.605 1.00 0.00 C ATOM 1793 CG LEU A 118 -6.255 -3.459 9.128 1.00 0.00 C ATOM 1794 CD1 LEU A 118 -7.009 -4.488 9.969 1.00 0.00 C ATOM 1795 CD2 LEU A 118 -4.796 -3.369 9.573 1.00 0.00 C ATOM 0 H LEU A 118 -4.006 -4.474 6.488 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.262 -5.858 7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -5.786 -2.996 7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.408 -3.615 7.313 1.00 0.00 H new ATOM 0 HG LEU A 118 -6.725 -2.490 9.295 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.902 -4.243 11.026 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.065 -4.476 9.699 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.599 -5.481 9.783 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -4.754 -3.164 10.643 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.293 -4.313 9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.299 -2.565 9.030 1.00 0.00 H new ATOM 1807 N ALA A 119 -7.289 -6.588 5.711 1.00 0.00 N ATOM 1808 CA ALA A 119 -7.931 -7.095 4.480 1.00 0.00 C ATOM 1809 C ALA A 119 -8.784 -6.042 3.771 1.00 0.00 C ATOM 1810 O ALA A 119 -9.844 -5.641 4.268 1.00 0.00 O ATOM 1811 CB ALA A 119 -8.759 -8.334 4.799 1.00 0.00 C ATOM 0 H ALA A 119 -7.477 -7.161 6.534 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.132 -7.357 3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.229 -8.702 3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.112 -9.108 5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.529 -8.079 5.527 1.00 0.00 H new ATOM 1817 N GLY A 120 -8.291 -5.590 2.604 1.00 0.00 N ATOM 1818 CA GLY A 120 -8.987 -4.582 1.831 1.00 0.00 C ATOM 1819 C GLY A 120 -8.576 -3.181 2.241 1.00 0.00 C ATOM 1820 O GLY A 120 -8.892 -2.201 1.564 1.00 0.00 O ATOM 0 H GLY A 120 -7.417 -5.913 2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.778 -4.727 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.063 -4.700 1.963 1.00 0.00 H new ATOM 1824 N SER A 121 -7.871 -3.111 3.368 1.00 0.00 N ATOM 1825 CA SER A 121 -7.368 -1.876 3.910 1.00 0.00 C ATOM 1826 C SER A 121 -5.840 -1.876 3.815 1.00 0.00 C ATOM 1827 O SER A 121 -5.254 -2.736 3.148 1.00 0.00 O ATOM 1828 CB SER A 121 -7.882 -1.626 5.337 1.00 0.00 C ATOM 1829 OG SER A 121 -7.664 -0.278 5.708 1.00 0.00 O ATOM 0 H SER A 121 -7.636 -3.929 3.930 1.00 0.00 H new ATOM 0 HA SER A 121 -7.746 -1.040 3.321 1.00 0.00 H new ATOM 0 HB2 SER A 121 -8.945 -1.859 5.394 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.373 -2.290 6.036 1.00 0.00 H new ATOM 0 HG SER A 121 -7.458 0.252 4.910 1.00 0.00 H new ATOM 1835 N LYS A 122 -5.201 -0.916 4.477 1.00 0.00 N ATOM 1836 CA LYS A 122 -3.756 -0.729 4.407 1.00 0.00 C ATOM 1837 C LYS A 122 -2.959 -1.883 5.001 1.00 0.00 C ATOM 1838 O LYS A 122 -3.408 -2.589 5.920 1.00 0.00 O ATOM 1839 CB LYS A 122 -3.376 0.595 5.072 1.00 0.00 C ATOM 1840 CG LYS A 122 -3.959 1.807 4.340 1.00 0.00 C ATOM 1841 CD LYS A 122 -2.932 2.520 3.454 1.00 0.00 C ATOM 1842 CE LYS A 122 -2.872 1.930 2.048 1.00 0.00 C ATOM 1843 NZ LYS A 122 -1.929 2.678 1.172 1.00 0.00 N ATOM 0 H LYS A 122 -5.674 -0.243 5.080 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.491 -0.704 3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.728 0.594 6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.290 0.683 5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.799 1.484 3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.352 2.513 5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.183 3.579 3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.947 2.452 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.564 0.886 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.868 1.945 1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.917 2.246 0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.237 3.669 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.973 2.643 1.581 1.00 0.00 H new ATOM 1857 N MET A 123 -1.782 -2.072 4.408 1.00 0.00 N ATOM 1858 CA MET A 123 -0.839 -3.104 4.804 1.00 0.00 C ATOM 1859 C MET A 123 0.583 -2.609 4.586 1.00 0.00 C ATOM 1860 O MET A 123 0.954 -2.196 3.483 1.00 0.00 O ATOM 1861 CB MET A 123 -1.104 -4.409 4.024 1.00 0.00 C ATOM 1862 CG MET A 123 -0.077 -5.525 4.241 1.00 0.00 C ATOM 1863 SD MET A 123 0.684 -6.099 2.706 1.00 0.00 S ATOM 1864 CE MET A 123 1.977 -4.883 2.467 1.00 0.00 C ATOM 0 H MET A 123 -1.456 -1.502 3.628 1.00 0.00 H new ATOM 0 HA MET A 123 -0.970 -3.323 5.864 1.00 0.00 H new ATOM 0 HB2 MET A 123 -2.088 -4.785 4.303 1.00 0.00 H new ATOM 0 HB3 MET A 123 -1.142 -4.175 2.960 1.00 0.00 H new ATOM 0 HG2 MET A 123 0.702 -5.167 4.914 1.00 0.00 H new ATOM 0 HG3 MET A 123 -0.563 -6.366 4.735 1.00 0.00 H new ATOM 0 HE1 MET A 123 2.800 -5.331 1.910 1.00 0.00 H new ATOM 0 HE2 MET A 123 1.580 -4.035 1.908 1.00 0.00 H new ATOM 0 HE3 MET A 123 2.339 -4.541 3.437 1.00 0.00 H new ATOM 1874 N THR A 124 1.351 -2.648 5.661 1.00 0.00 N ATOM 1875 CA THR A 124 2.743 -2.237 5.653 1.00 0.00 C ATOM 1876 C THR A 124 3.573 -3.375 6.203 1.00 0.00 C ATOM 1877 O THR A 124 3.245 -3.919 7.257 1.00 0.00 O ATOM 1878 CB THR A 124 2.929 -0.950 6.476 1.00 0.00 C ATOM 1879 OG1 THR A 124 2.264 -1.079 7.735 1.00 0.00 O ATOM 1880 CG2 THR A 124 2.363 0.256 5.732 1.00 0.00 C ATOM 0 H THR A 124 1.022 -2.969 6.572 1.00 0.00 H new ATOM 0 HA THR A 124 3.068 -2.013 4.637 1.00 0.00 H new ATOM 0 HB THR A 124 3.997 -0.798 6.634 1.00 0.00 H new ATOM 0 HG1 THR A 124 2.107 -0.189 8.115 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.506 1.154 6.333 1.00 0.00 H new ATOM 0 HG22 THR A 124 2.880 0.371 4.779 1.00 0.00 H new ATOM 0 HG23 THR A 124 1.299 0.106 5.552 1.00 0.00 H new ATOM 1888 N VAL A 125 4.597 -3.781 5.443 1.00 0.00 N ATOM 1889 CA VAL A 125 5.451 -4.903 5.832 1.00 0.00 C ATOM 1890 C VAL A 125 6.949 -4.585 5.702 1.00 0.00 C ATOM 1891 O VAL A 125 7.348 -3.694 4.946 1.00 0.00 O ATOM 1892 CB VAL A 125 5.052 -6.177 5.032 1.00 0.00 C ATOM 1893 CG1 VAL A 125 5.484 -6.120 3.563 1.00 0.00 C ATOM 1894 CG2 VAL A 125 5.559 -7.453 5.703 1.00 0.00 C ATOM 0 H VAL A 125 4.852 -3.348 4.556 1.00 0.00 H new ATOM 0 HA VAL A 125 5.286 -5.094 6.892 1.00 0.00 H new ATOM 0 HB VAL A 125 3.962 -6.203 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.178 -7.036 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 125 5.014 -5.264 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 125 6.568 -6.019 3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 125 5.259 -8.319 5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.646 -7.420 5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 125 5.134 -7.531 6.704 1.00 0.00 H new ATOM 1904 N ALA A 126 7.763 -5.319 6.462 1.00 0.00 N ATOM 1905 CA ALA A 126 9.205 -5.158 6.399 1.00 0.00 C ATOM 1906 C ALA A 126 9.837 -6.428 5.852 1.00 0.00 C ATOM 1907 O ALA A 126 9.901 -7.458 6.534 1.00 0.00 O ATOM 1908 CB ALA A 126 9.772 -4.792 7.765 1.00 0.00 C ATOM 0 H ALA A 126 7.444 -6.026 7.124 1.00 0.00 H new ATOM 0 HA ALA A 126 9.444 -4.336 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.853 -4.677 7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.330 -3.855 8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.539 -5.582 8.479 1.00 0.00 H new ATOM 1914 N ARG A 127 10.286 -6.340 4.596 1.00 0.00 N ATOM 1915 CA ARG A 127 10.906 -7.467 3.904 1.00 0.00 C ATOM 1916 C ARG A 127 12.003 -7.006 2.944 1.00 0.00 C ATOM 1917 O ARG A 127 11.853 -6.004 2.226 1.00 0.00 O ATOM 1918 CB ARG A 127 9.845 -8.268 3.129 1.00 0.00 C ATOM 1919 CG ARG A 127 10.139 -9.762 3.038 1.00 0.00 C ATOM 1920 CD ARG A 127 9.070 -10.502 2.244 1.00 0.00 C ATOM 1921 NE ARG A 127 7.817 -10.648 2.997 1.00 0.00 N ATOM 1922 CZ ARG A 127 6.711 -11.246 2.530 1.00 0.00 C ATOM 1923 NH1 ARG A 127 6.673 -11.767 1.305 1.00 0.00 N ATOM 1924 NH2 ARG A 127 5.633 -11.321 3.300 1.00 0.00 N ATOM 0 H ARG A 127 10.229 -5.489 4.036 1.00 0.00 H new ATOM 0 HA ARG A 127 11.363 -8.104 4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 127 8.876 -8.127 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 127 9.763 -7.862 2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 127 11.111 -9.913 2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 127 10.202 -10.182 4.042 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.873 -9.965 1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 127 9.443 -11.489 1.969 1.00 0.00 H new ATOM 0 HE ARG A 127 7.786 -10.267 3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.495 -11.715 0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 127 5.822 -12.218 0.969 1.00 0.00 H new ATOM 0 HH21 ARG A 127 5.649 -10.925 4.240 1.00 0.00 H new ATOM 0 HH22 ARG A 127 4.788 -11.774 2.952 1.00 0.00 H new ATOM 1938 N VAL A 128 13.116 -7.732 2.978 1.00 0.00 N ATOM 1939 CA VAL A 128 14.247 -7.484 2.092 1.00 0.00 C ATOM 1940 C VAL A 128 14.551 -8.763 1.299 1.00 0.00 C ATOM 1941 O VAL A 128 15.157 -9.702 1.826 1.00 0.00 O ATOM 1942 CB VAL A 128 15.509 -6.939 2.852 1.00 0.00 C ATOM 1943 CG1 VAL A 128 15.795 -7.715 4.133 1.00 0.00 C ATOM 1944 CG2 VAL A 128 16.750 -6.916 1.957 1.00 0.00 C ATOM 0 H VAL A 128 13.259 -8.510 3.622 1.00 0.00 H new ATOM 0 HA VAL A 128 13.974 -6.690 1.397 1.00 0.00 H new ATOM 0 HB VAL A 128 15.271 -5.913 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 128 16.677 -7.299 4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 128 14.939 -7.638 4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 128 15.974 -8.763 3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 128 17.599 -6.532 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 128 16.970 -7.927 1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.566 -6.272 1.097 1.00 0.00 H new ATOM 1954 N VAL A 129 14.111 -8.785 0.034 1.00 0.00 N ATOM 1955 CA VAL A 129 14.318 -9.941 -0.848 1.00 0.00 C ATOM 1956 C VAL A 129 15.730 -9.904 -1.439 1.00 0.00 C ATOM 1957 O VAL A 129 16.033 -9.067 -2.290 1.00 0.00 O ATOM 1958 CB VAL A 129 13.250 -10.015 -1.989 1.00 0.00 C ATOM 1959 CG1 VAL A 129 13.324 -11.343 -2.743 1.00 0.00 C ATOM 1960 CG2 VAL A 129 11.839 -9.816 -1.441 1.00 0.00 C ATOM 0 H VAL A 129 13.608 -8.013 -0.403 1.00 0.00 H new ATOM 0 HA VAL A 129 14.202 -10.840 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 129 13.476 -9.207 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 129 12.568 -11.358 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 129 14.312 -11.453 -3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 129 13.145 -12.165 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.120 -9.873 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 129 11.620 -10.594 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 129 11.769 -8.839 -0.963 1.00 0.00 H new