USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=25 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 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 :FLIP amide:sc= 0.979 F(o=-4.5!,f=0.98) USER MOD Single : A 20 THR OG1 : rot 73:sc= 0.791 USER MOD Single : A 21 LYS NZ :NH3+ -127:sc= -0.0212 (180deg=-0.357) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.55! USER MOD Single : A 26 LYS NZ :NH3+ -131:sc= -6.74! (180deg=-9.45!) USER MOD Single : A 27 CYS SG : rot 115:sc= -1.44! USER MOD Single : A 30 SER OG : rot 117:sc= 1.26 USER MOD Single : A 32 SER OG : rot -170:sc= -0.866 USER MOD Single : A 33 ASN : amide:sc=-0.00817 K(o=-0.0082,f=-3.5!) USER MOD Single : A 34 MET CE :methyl -173:sc= -0.571 (180deg=-0.737) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= -1.55 (180deg=-1.59) USER MOD Single : A 56 GLN : amide:sc= 0.0917 X(o=0.092,f=-0.086) USER MOD Single : A 59 GLN : amide:sc= -2.56! C(o=-2.6!,f=-5.3!) USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0194) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= -0.336 (180deg=-0.656) USER MOD Single : A 76 THR OG1 : rot -47:sc= 0.882 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 82 SER OG : rot 180:sc= -0.135 USER MOD Single : A 92 HIS : no HD1:sc=-0.00636 X(o=-0.0064,f=0) USER MOD Single : A 93 THR OG1 : rot 25:sc= 0.92 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.48 K(o=-0.48,f=-1.3) USER MOD Single : A 109 THR OG1 : rot -170:sc= -1.67! USER MOD Single : A 111 GLN : amide:sc= -0.756 K(o=-0.76,f=-6.6!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 15:sc= -4.73! USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 152:sc= -0.129 (180deg=-1.87) USER MOD Single : A 124 THR OG1 : rot -100:sc= -2.58! USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.777 3.796 14.372 1.00 0.00 N ATOM 22 CA LEU A 3 -14.794 4.651 13.666 1.00 0.00 C ATOM 23 C LEU A 3 -13.592 5.012 14.556 1.00 0.00 C ATOM 24 O LEU A 3 -13.140 6.165 14.588 1.00 0.00 O ATOM 25 CB LEU A 3 -15.462 5.929 13.108 1.00 0.00 C ATOM 26 CG LEU A 3 -16.306 5.737 11.844 1.00 0.00 C ATOM 27 CD1 LEU A 3 -17.712 5.266 12.192 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.361 7.029 11.043 1.00 0.00 C ATOM 0 HA LEU A 3 -14.415 4.066 12.828 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.096 6.355 13.885 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.683 6.661 12.895 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.833 4.967 11.234 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -18.290 5.138 11.277 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.656 4.315 12.722 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -18.197 6.007 12.826 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -16.964 6.877 10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.807 7.816 11.652 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -15.351 7.322 10.755 1.00 0.00 H new ATOM 40 N THR A 4 -13.085 4.006 15.282 1.00 0.00 N ATOM 41 CA THR A 4 -11.918 4.163 16.167 1.00 0.00 C ATOM 42 C THR A 4 -11.498 2.804 16.753 1.00 0.00 C ATOM 43 O THR A 4 -12.101 2.314 17.715 1.00 0.00 O ATOM 44 CB THR A 4 -12.143 5.221 17.308 1.00 0.00 C ATOM 45 OG1 THR A 4 -11.035 5.221 18.220 1.00 0.00 O ATOM 46 CG2 THR A 4 -13.442 4.986 18.088 1.00 0.00 C ATOM 0 H THR A 4 -13.470 3.062 15.274 1.00 0.00 H new ATOM 0 HA THR A 4 -11.108 4.551 15.549 1.00 0.00 H new ATOM 0 HB THR A 4 -12.223 6.191 16.817 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.190 5.886 18.923 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.544 5.746 18.862 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.291 5.045 17.407 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.416 3.999 18.550 1.00 0.00 H new ATOM 54 N GLY A 5 -10.471 2.198 16.146 1.00 0.00 N ATOM 55 CA GLY A 5 -9.978 0.908 16.606 1.00 0.00 C ATOM 56 C GLY A 5 -8.472 0.764 16.476 1.00 0.00 C ATOM 57 O GLY A 5 -7.724 1.306 17.295 1.00 0.00 O ATOM 0 H GLY A 5 -9.973 2.581 15.343 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.261 0.769 17.649 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.463 0.116 16.035 1.00 0.00 H new ATOM 61 N ALA A 6 -8.030 0.030 15.444 1.00 0.00 N ATOM 62 CA ALA A 6 -6.600 -0.207 15.212 1.00 0.00 C ATOM 63 C ALA A 6 -6.164 0.123 13.774 1.00 0.00 C ATOM 64 O ALA A 6 -4.992 -0.063 13.423 1.00 0.00 O ATOM 65 CB ALA A 6 -6.257 -1.653 15.554 1.00 0.00 C ATOM 0 H ALA A 6 -8.643 -0.409 14.758 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.049 0.470 15.865 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.195 -1.826 15.381 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.490 -1.844 16.602 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.841 -2.324 14.924 1.00 0.00 H new ATOM 71 N LEU A 7 -7.094 0.626 12.952 1.00 0.00 N ATOM 72 CA LEU A 7 -6.790 0.984 11.567 1.00 0.00 C ATOM 73 C LEU A 7 -6.813 2.500 11.450 1.00 0.00 C ATOM 74 O LEU A 7 -7.706 3.086 10.824 1.00 0.00 O ATOM 75 CB LEU A 7 -7.809 0.336 10.616 1.00 0.00 C ATOM 76 CG LEU A 7 -7.293 -0.094 9.240 1.00 0.00 C ATOM 77 CD1 LEU A 7 -8.304 -1.020 8.582 1.00 0.00 C ATOM 78 CD2 LEU A 7 -7.024 1.109 8.338 1.00 0.00 C ATOM 0 H LEU A 7 -8.062 0.793 13.225 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.803 0.616 11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.226 -0.541 11.111 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.629 1.038 10.467 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.349 -0.619 9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.935 -1.325 7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.449 -1.902 9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.254 -0.498 8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.659 0.764 7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.947 1.672 8.198 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.274 1.750 8.801 1.00 0.00 H new ATOM 90 N ALA A 8 -5.811 3.144 12.086 1.00 0.00 N ATOM 91 CA ALA A 8 -5.708 4.618 12.144 1.00 0.00 C ATOM 92 C ALA A 8 -6.940 5.186 12.864 1.00 0.00 C ATOM 93 O ALA A 8 -7.313 6.352 12.683 1.00 0.00 O ATOM 94 CB ALA A 8 -5.534 5.230 10.746 1.00 0.00 C ATOM 0 H ALA A 8 -5.055 2.660 12.571 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.816 4.887 12.709 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.462 6.314 10.830 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.624 4.840 10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.392 4.970 10.126 1.00 0.00 H new ATOM 100 N MET A 9 -7.556 4.310 13.703 1.00 0.00 N ATOM 101 CA MET A 9 -8.773 4.603 14.484 1.00 0.00 C ATOM 102 C MET A 9 -9.990 4.535 13.554 1.00 0.00 C ATOM 103 O MET A 9 -10.906 5.354 13.637 1.00 0.00 O ATOM 104 CB MET A 9 -8.688 5.963 15.222 1.00 0.00 C ATOM 105 CG MET A 9 -7.685 5.976 16.370 1.00 0.00 C ATOM 106 SD MET A 9 -7.673 7.536 17.279 1.00 0.00 S ATOM 107 CE MET A 9 -6.682 8.569 16.199 1.00 0.00 C ATOM 0 H MET A 9 -7.207 3.363 13.853 1.00 0.00 H new ATOM 0 HA MET A 9 -8.875 3.851 15.266 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.417 6.739 14.506 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.674 6.218 15.610 1.00 0.00 H new ATOM 0 HG2 MET A 9 -7.918 5.163 17.058 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.687 5.784 15.976 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.589 9.565 16.633 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.691 8.129 16.083 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.163 8.642 15.223 1.00 0.00 H new ATOM 117 N ARG A 10 -9.969 3.530 12.649 1.00 0.00 N ATOM 118 CA ARG A 10 -11.035 3.326 11.644 1.00 0.00 C ATOM 119 C ARG A 10 -11.250 1.834 11.335 1.00 0.00 C ATOM 120 O ARG A 10 -11.980 1.479 10.404 1.00 0.00 O ATOM 121 CB ARG A 10 -10.688 4.070 10.329 1.00 0.00 C ATOM 122 CG ARG A 10 -9.912 5.382 10.489 1.00 0.00 C ATOM 123 CD ARG A 10 -10.802 6.532 10.925 1.00 0.00 C ATOM 124 NE ARG A 10 -10.160 7.836 10.725 1.00 0.00 N ATOM 125 CZ ARG A 10 -10.688 9.012 11.096 1.00 0.00 C ATOM 126 NH1 ARG A 10 -11.877 9.077 11.693 1.00 0.00 N ATOM 127 NH2 ARG A 10 -10.017 10.132 10.865 1.00 0.00 N ATOM 0 H ARG A 10 -9.218 2.842 12.595 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.956 3.728 12.067 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.105 3.400 9.698 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.616 4.281 9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.117 5.244 11.222 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.433 5.635 9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.736 6.499 10.364 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.058 6.412 11.978 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.247 7.849 10.271 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.403 8.223 11.876 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.261 9.981 11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.106 10.096 10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.412 11.030 11.144 1.00 0.00 H new ATOM 141 N LEU A 11 -10.624 0.965 12.134 1.00 0.00 N ATOM 142 CA LEU A 11 -10.736 -0.504 11.995 1.00 0.00 C ATOM 143 C LEU A 11 -12.195 -0.982 12.106 1.00 0.00 C ATOM 144 O LEU A 11 -12.500 -2.126 11.755 1.00 0.00 O ATOM 145 CB LEU A 11 -9.843 -1.142 13.090 1.00 0.00 C ATOM 146 CG LEU A 11 -9.736 -2.693 13.191 1.00 0.00 C ATOM 147 CD1 LEU A 11 -10.870 -3.274 14.026 1.00 0.00 C ATOM 148 CD2 LEU A 11 -9.686 -3.361 11.817 1.00 0.00 C ATOM 0 H LEU A 11 -10.020 1.255 12.903 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.400 -0.811 11.005 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.834 -0.754 12.954 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.198 -0.776 14.054 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.793 -2.907 13.693 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.766 -4.358 14.077 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.831 -2.858 15.033 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.826 -3.022 13.567 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.612 -4.441 11.940 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.593 -3.121 11.262 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.818 -2.998 11.267 1.00 0.00 H new ATOM 160 N ASN A 12 -13.091 -0.097 12.575 1.00 0.00 N ATOM 161 CA ASN A 12 -14.511 -0.426 12.710 1.00 0.00 C ATOM 162 C ASN A 12 -15.133 -0.705 11.360 1.00 0.00 C ATOM 163 O ASN A 12 -14.761 -0.124 10.339 1.00 0.00 O ATOM 164 CB ASN A 12 -15.281 0.690 13.411 1.00 0.00 C ATOM 165 CG ASN A 12 -14.944 0.786 14.888 1.00 0.00 C ATOM 166 OD1 ASN A 12 -13.767 1.313 15.196 1.00 0.00 O flip ATOM 167 ND2 ASN A 12 -15.728 0.372 15.741 1.00 0.00 N flip ATOM 0 H ASN A 12 -12.852 0.851 12.866 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.574 -1.325 13.323 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.058 1.641 12.928 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.351 0.517 13.296 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.624 -0.026 15.460 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.482 0.427 16.729 1.00 0.00 H new ATOM 174 N ASP A 13 -16.086 -1.609 11.413 1.00 0.00 N ATOM 175 CA ASP A 13 -16.850 -2.108 10.267 1.00 0.00 C ATOM 176 C ASP A 13 -17.332 -1.031 9.276 1.00 0.00 C ATOM 177 O ASP A 13 -17.534 -1.345 8.106 1.00 0.00 O ATOM 178 CB ASP A 13 -18.025 -2.921 10.814 1.00 0.00 C ATOM 179 CG ASP A 13 -18.818 -3.664 9.747 1.00 0.00 C ATOM 180 OD1 ASP A 13 -19.783 -3.081 9.210 1.00 0.00 O ATOM 181 OD2 ASP A 13 -18.470 -4.827 9.451 1.00 0.00 O ATOM 0 H ASP A 13 -16.370 -2.043 12.291 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.176 -2.721 9.668 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.648 -3.642 11.539 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -18.697 -2.252 11.351 1.00 0.00 H new ATOM 186 N GLU A 14 -17.504 0.220 9.720 1.00 0.00 N ATOM 187 CA GLU A 14 -17.951 1.288 8.813 1.00 0.00 C ATOM 188 C GLU A 14 -16.834 1.696 7.862 1.00 0.00 C ATOM 189 O GLU A 14 -16.998 1.678 6.630 1.00 0.00 O ATOM 190 CB GLU A 14 -18.443 2.510 9.600 1.00 0.00 C ATOM 191 CG GLU A 14 -19.862 2.349 10.111 1.00 0.00 C ATOM 192 CD GLU A 14 -20.347 3.549 10.900 1.00 0.00 C ATOM 193 OE1 GLU A 14 -20.826 4.517 10.273 1.00 0.00 O ATOM 194 OE2 GLU A 14 -20.249 3.520 12.144 1.00 0.00 O ATOM 0 H GLU A 14 -17.344 0.516 10.683 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.782 0.896 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.776 2.685 10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.389 3.392 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.530 2.183 9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.917 1.461 10.740 1.00 0.00 H new ATOM 201 N ASP A 15 -15.667 1.957 8.445 1.00 0.00 N ATOM 202 CA ASP A 15 -14.510 2.392 7.687 1.00 0.00 C ATOM 203 C ASP A 15 -13.790 1.201 7.108 1.00 0.00 C ATOM 204 O ASP A 15 -13.128 1.319 6.097 1.00 0.00 O ATOM 205 CB ASP A 15 -13.568 3.188 8.573 1.00 0.00 C ATOM 206 CG ASP A 15 -14.028 4.619 8.778 1.00 0.00 C ATOM 207 OD1 ASP A 15 -13.259 5.543 8.439 1.00 0.00 O ATOM 208 OD2 ASP A 15 -15.158 4.816 9.271 1.00 0.00 O ATOM 0 H ASP A 15 -15.503 1.872 9.448 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.849 3.031 6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.483 2.695 9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.573 3.191 8.129 1.00 0.00 H new ATOM 213 N LEU A 16 -13.974 0.053 7.759 1.00 0.00 N ATOM 214 CA LEU A 16 -13.367 -1.205 7.347 1.00 0.00 C ATOM 215 C LEU A 16 -14.092 -1.774 6.136 1.00 0.00 C ATOM 216 O LEU A 16 -13.459 -2.344 5.259 1.00 0.00 O ATOM 217 CB LEU A 16 -13.387 -2.173 8.523 1.00 0.00 C ATOM 218 CG LEU A 16 -13.047 -3.636 8.217 1.00 0.00 C ATOM 219 CD1 LEU A 16 -12.130 -4.176 9.281 1.00 0.00 C ATOM 220 CD2 LEU A 16 -14.312 -4.479 8.131 1.00 0.00 C ATOM 0 H LEU A 16 -14.554 -0.027 8.594 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.331 -1.039 7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.685 -1.811 9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.379 -2.141 8.973 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.544 -3.684 7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.890 -5.216 9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.212 -3.589 9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.623 -4.115 10.251 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -14.046 -5.513 7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.845 -4.434 9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.952 -4.094 7.337 1.00 0.00 H new ATOM 232 N ASP A 17 -15.426 -1.660 6.133 1.00 0.00 N ATOM 233 CA ASP A 17 -16.238 -2.100 4.992 1.00 0.00 C ATOM 234 C ASP A 17 -15.992 -1.149 3.813 1.00 0.00 C ATOM 235 O ASP A 17 -15.543 -1.567 2.718 1.00 0.00 O ATOM 236 CB ASP A 17 -17.725 -2.119 5.360 1.00 0.00 C ATOM 237 CG ASP A 17 -18.481 -3.238 4.671 1.00 0.00 C ATOM 238 OD1 ASP A 17 -18.997 -3.009 3.557 1.00 0.00 O ATOM 239 OD2 ASP A 17 -18.558 -4.344 5.246 1.00 0.00 O ATOM 0 H ASP A 17 -15.964 -1.268 6.906 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.951 -3.114 4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.827 -2.227 6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.174 -1.163 5.092 1.00 0.00 H new ATOM 244 N PHE A 18 -16.211 0.161 4.064 1.00 0.00 N ATOM 245 CA PHE A 18 -15.985 1.163 3.031 1.00 0.00 C ATOM 246 C PHE A 18 -14.485 1.236 2.674 1.00 0.00 C ATOM 247 O PHE A 18 -14.121 1.784 1.643 1.00 0.00 O ATOM 248 CB PHE A 18 -16.586 2.527 3.421 1.00 0.00 C ATOM 249 CG PHE A 18 -18.095 2.545 3.390 1.00 0.00 C ATOM 250 CD1 PHE A 18 -18.832 2.409 4.554 1.00 0.00 C ATOM 251 CD2 PHE A 18 -18.775 2.697 2.188 1.00 0.00 C ATOM 252 CE1 PHE A 18 -20.214 2.423 4.525 1.00 0.00 C ATOM 253 CE2 PHE A 18 -20.155 2.712 2.153 1.00 0.00 C ATOM 254 CZ PHE A 18 -20.876 2.575 3.322 1.00 0.00 C ATOM 0 H PHE A 18 -16.537 0.531 4.957 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.513 0.860 2.127 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.247 2.793 4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.206 3.291 2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.320 2.290 5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -18.217 2.805 1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.775 2.315 5.441 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.670 2.831 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 18 -21.956 2.587 3.296 1.00 0.00 H new ATOM 264 N LEU A 19 -13.626 0.693 3.566 1.00 0.00 N ATOM 265 CA LEU A 19 -12.177 0.581 3.327 1.00 0.00 C ATOM 266 C LEU A 19 -11.886 -0.716 2.557 1.00 0.00 C ATOM 267 O LEU A 19 -10.948 -0.786 1.761 1.00 0.00 O ATOM 268 CB LEU A 19 -11.403 0.506 4.665 1.00 0.00 C ATOM 269 CG LEU A 19 -9.937 1.031 4.727 1.00 0.00 C ATOM 270 CD1 LEU A 19 -9.233 1.069 3.371 1.00 0.00 C ATOM 271 CD2 LEU A 19 -9.890 2.404 5.381 1.00 0.00 C ATOM 0 H LEU A 19 -13.921 0.322 4.469 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.861 1.458 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.980 1.056 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.391 -0.538 4.979 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.389 0.310 5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.218 1.446 3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.197 0.064 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.781 1.725 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.859 2.755 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.492 3.104 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.285 2.338 6.395 1.00 0.00 H new ATOM 283 N THR A 20 -12.714 -1.744 2.822 1.00 0.00 N ATOM 284 CA THR A 20 -12.554 -3.067 2.219 1.00 0.00 C ATOM 285 C THR A 20 -13.044 -3.125 0.771 1.00 0.00 C ATOM 286 O THR A 20 -12.796 -4.120 0.082 1.00 0.00 O ATOM 287 CB THR A 20 -13.236 -4.178 3.074 1.00 0.00 C ATOM 288 OG1 THR A 20 -12.527 -5.412 2.917 1.00 0.00 O ATOM 289 CG2 THR A 20 -14.708 -4.402 2.716 1.00 0.00 C ATOM 0 H THR A 20 -13.508 -1.674 3.459 1.00 0.00 H new ATOM 0 HA THR A 20 -11.481 -3.257 2.202 1.00 0.00 H new ATOM 0 HB THR A 20 -13.203 -3.835 4.108 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.677 -5.365 3.403 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.121 -5.188 3.348 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.265 -3.479 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.787 -4.699 1.670 1.00 0.00 H new ATOM 297 N LYS A 21 -13.761 -2.068 0.332 1.00 0.00 N ATOM 298 CA LYS A 21 -14.280 -1.960 -1.061 1.00 0.00 C ATOM 299 C LYS A 21 -13.356 -2.592 -2.117 1.00 0.00 C ATOM 300 O LYS A 21 -13.829 -3.230 -3.062 1.00 0.00 O ATOM 301 CB LYS A 21 -14.516 -0.481 -1.461 1.00 0.00 C ATOM 302 CG LYS A 21 -13.539 0.535 -0.883 1.00 0.00 C ATOM 303 CD LYS A 21 -12.214 0.569 -1.626 1.00 0.00 C ATOM 304 CE LYS A 21 -11.090 0.920 -0.680 1.00 0.00 C ATOM 305 NZ LYS A 21 -9.769 0.964 -1.366 1.00 0.00 N ATOM 0 H LYS A 21 -13.998 -1.270 0.921 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.218 -2.515 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.481 -0.410 -2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.524 -0.200 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.992 1.526 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.356 0.300 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.022 -0.401 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.261 1.300 -2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.292 1.888 -0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.054 0.188 0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.095 0.355 -0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.874 0.626 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.414 1.942 -1.374 1.00 0.00 H new ATOM 319 N TRP A 22 -12.038 -2.403 -1.938 1.00 0.00 N ATOM 320 CA TRP A 22 -11.025 -2.909 -2.869 1.00 0.00 C ATOM 321 C TRP A 22 -9.630 -2.877 -2.212 1.00 0.00 C ATOM 322 O TRP A 22 -9.512 -2.487 -1.050 1.00 0.00 O ATOM 323 CB TRP A 22 -11.072 -2.062 -4.157 1.00 0.00 C ATOM 324 CG TRP A 22 -11.114 -2.872 -5.425 1.00 0.00 C ATOM 325 CD1 TRP A 22 -12.078 -3.772 -5.793 1.00 0.00 C ATOM 326 CD2 TRP A 22 -10.169 -2.840 -6.501 1.00 0.00 C ATOM 327 NE1 TRP A 22 -11.780 -4.309 -7.019 1.00 0.00 N ATOM 328 CE2 TRP A 22 -10.616 -3.753 -7.476 1.00 0.00 C ATOM 329 CE3 TRP A 22 -8.986 -2.134 -6.736 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -9.923 -3.974 -8.660 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -8.302 -2.356 -7.912 1.00 0.00 C ATOM 332 CH2 TRP A 22 -8.769 -3.267 -8.860 1.00 0.00 C ATOM 0 H TRP A 22 -11.649 -1.895 -1.144 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.233 -3.948 -3.125 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.949 -1.416 -4.122 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.198 -1.411 -4.183 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.947 -4.023 -5.203 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.336 -5.009 -7.510 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.614 -1.427 -6.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.282 -4.678 -9.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.387 -1.815 -8.103 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.208 -3.417 -9.770 1.00 0.00 H new ATOM 343 N THR A 23 -8.580 -3.274 -2.954 1.00 0.00 N ATOM 344 CA THR A 23 -7.212 -3.307 -2.410 1.00 0.00 C ATOM 345 C THR A 23 -6.342 -2.227 -3.042 1.00 0.00 C ATOM 346 O THR A 23 -6.781 -1.539 -3.962 1.00 0.00 O ATOM 347 CB THR A 23 -6.544 -4.682 -2.580 1.00 0.00 C ATOM 348 OG1 THR A 23 -7.482 -5.661 -3.049 1.00 0.00 O ATOM 349 CG2 THR A 23 -5.985 -5.117 -1.245 1.00 0.00 C ATOM 0 H THR A 23 -8.653 -3.575 -3.926 1.00 0.00 H new ATOM 0 HA THR A 23 -7.303 -3.112 -1.341 1.00 0.00 H new ATOM 0 HB THR A 23 -5.748 -4.597 -3.319 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.030 -6.525 -3.150 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.508 -6.091 -1.350 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.250 -4.388 -0.903 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.793 -5.186 -0.517 1.00 0.00 H new ATOM 357 N ASP A 24 -5.095 -2.111 -2.571 1.00 0.00 N ATOM 358 CA ASP A 24 -4.186 -1.076 -3.053 1.00 0.00 C ATOM 359 C ASP A 24 -3.009 -1.678 -3.828 1.00 0.00 C ATOM 360 O ASP A 24 -2.011 -0.995 -4.091 1.00 0.00 O ATOM 361 CB ASP A 24 -3.682 -0.252 -1.865 1.00 0.00 C ATOM 362 CG ASP A 24 -4.789 0.530 -1.177 1.00 0.00 C ATOM 363 OD1 ASP A 24 -5.516 -0.069 -0.357 1.00 0.00 O ATOM 364 OD2 ASP A 24 -4.924 1.739 -1.457 1.00 0.00 O ATOM 0 H ASP A 24 -4.697 -2.722 -1.858 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.730 -0.429 -3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.210 -0.917 -1.142 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.914 0.441 -2.209 1.00 0.00 H new ATOM 369 N PHE A 25 -3.148 -2.946 -4.226 1.00 0.00 N ATOM 370 CA PHE A 25 -2.097 -3.638 -4.959 1.00 0.00 C ATOM 371 C PHE A 25 -2.520 -3.872 -6.415 1.00 0.00 C ATOM 372 O PHE A 25 -2.539 -4.987 -6.945 1.00 0.00 O ATOM 373 CB PHE A 25 -1.766 -4.914 -4.184 1.00 0.00 C ATOM 374 CG PHE A 25 -0.544 -5.711 -4.591 1.00 0.00 C ATOM 375 CD1 PHE A 25 -0.545 -6.491 -5.741 1.00 0.00 C ATOM 376 CD2 PHE A 25 0.594 -5.707 -3.799 1.00 0.00 C ATOM 377 CE1 PHE A 25 0.562 -7.238 -6.093 1.00 0.00 C ATOM 378 CE2 PHE A 25 1.706 -6.450 -4.149 1.00 0.00 C ATOM 379 CZ PHE A 25 1.690 -7.216 -5.297 1.00 0.00 C ATOM 0 H PHE A 25 -3.980 -3.510 -4.050 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.187 -3.042 -5.030 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.651 -4.644 -3.134 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.630 -5.575 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.424 -6.513 -6.368 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.612 -5.115 -2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.545 -7.839 -6.990 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.587 -6.431 -3.524 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.558 -7.797 -5.572 1.00 0.00 H new ATOM 389 N LYS A 26 -2.887 -2.754 -7.014 1.00 0.00 N ATOM 390 CA LYS A 26 -3.211 -2.634 -8.425 1.00 0.00 C ATOM 391 C LYS A 26 -2.291 -1.537 -8.933 1.00 0.00 C ATOM 392 O LYS A 26 -2.306 -1.156 -10.108 1.00 0.00 O ATOM 393 CB LYS A 26 -4.714 -2.291 -8.664 1.00 0.00 C ATOM 394 CG LYS A 26 -5.082 -0.786 -8.666 1.00 0.00 C ATOM 395 CD LYS A 26 -5.336 -0.216 -7.263 1.00 0.00 C ATOM 396 CE LYS A 26 -4.054 -0.095 -6.443 1.00 0.00 C ATOM 397 NZ LYS A 26 -3.804 1.270 -5.913 1.00 0.00 N ATOM 0 H LYS A 26 -2.971 -1.870 -6.512 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.063 -3.575 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.015 -2.718 -9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.305 -2.787 -7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.276 -0.224 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.973 -0.639 -9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.801 0.766 -7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.042 -0.857 -6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.101 -0.795 -5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.209 -0.394 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.826 1.552 -6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.463 1.941 -6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.948 1.274 -4.883 1.00 0.00 H new ATOM 411 N CYS A 27 -1.480 -1.055 -7.978 1.00 0.00 N ATOM 412 CA CYS A 27 -0.552 0.010 -8.190 1.00 0.00 C ATOM 413 C CYS A 27 0.841 -0.444 -7.821 1.00 0.00 C ATOM 414 O CYS A 27 1.099 -0.905 -6.670 1.00 0.00 O ATOM 415 CB CYS A 27 -0.950 1.227 -7.345 1.00 0.00 C ATOM 416 SG CYS A 27 0.199 2.623 -7.446 1.00 0.00 S ATOM 0 H CYS A 27 -1.469 -1.419 -7.025 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.566 0.292 -9.243 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.938 1.563 -7.659 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.035 0.918 -6.303 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.399 3.638 -7.996 1.00 0.00 H new ATOM 422 N PHE A 28 1.709 -0.350 -8.833 1.00 0.00 N ATOM 423 CA PHE A 28 3.110 -0.661 -8.693 1.00 0.00 C ATOM 424 C PHE A 28 3.808 0.620 -8.316 1.00 0.00 C ATOM 425 O PHE A 28 3.746 1.598 -9.057 1.00 0.00 O ATOM 426 CB PHE A 28 3.682 -1.229 -10.000 1.00 0.00 C ATOM 427 CG PHE A 28 3.180 -2.607 -10.336 1.00 0.00 C ATOM 428 CD1 PHE A 28 3.863 -3.732 -9.903 1.00 0.00 C ATOM 429 CD2 PHE A 28 2.026 -2.776 -11.086 1.00 0.00 C ATOM 430 CE1 PHE A 28 3.405 -4.999 -10.210 1.00 0.00 C ATOM 431 CE2 PHE A 28 1.563 -4.040 -11.396 1.00 0.00 C ATOM 432 CZ PHE A 28 2.253 -5.154 -10.957 1.00 0.00 C ATOM 0 H PHE A 28 1.445 -0.053 -9.772 1.00 0.00 H new ATOM 0 HA PHE A 28 3.259 -1.423 -7.928 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.434 -0.553 -10.818 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.769 -1.256 -9.928 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.764 -3.617 -9.319 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.483 -1.909 -11.432 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.947 -5.868 -9.866 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.663 -4.158 -11.981 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.893 -6.143 -11.197 1.00 0.00 H new ATOM 442 N VAL A 29 4.496 0.610 -7.188 1.00 0.00 N ATOM 443 CA VAL A 29 5.171 1.808 -6.734 1.00 0.00 C ATOM 444 C VAL A 29 6.650 1.726 -7.094 1.00 0.00 C ATOM 445 O VAL A 29 7.300 0.675 -6.926 1.00 0.00 O ATOM 446 CB VAL A 29 4.877 2.083 -5.226 1.00 0.00 C ATOM 447 CG1 VAL A 29 6.031 2.776 -4.497 1.00 0.00 C ATOM 448 CG2 VAL A 29 3.621 2.931 -5.106 1.00 0.00 C ATOM 0 H VAL A 29 4.600 -0.202 -6.579 1.00 0.00 H new ATOM 0 HA VAL A 29 4.779 2.684 -7.251 1.00 0.00 H new ATOM 0 HB VAL A 29 4.742 1.113 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.758 2.936 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.922 2.150 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.236 3.736 -4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.412 3.125 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.769 3.877 -5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.779 2.400 -5.551 1.00 0.00 H new ATOM 458 N SER A 30 7.152 2.907 -7.509 1.00 0.00 N ATOM 459 CA SER A 30 8.499 3.133 -8.066 1.00 0.00 C ATOM 460 C SER A 30 9.524 2.060 -7.761 1.00 0.00 C ATOM 461 O SER A 30 10.196 2.051 -6.726 1.00 0.00 O ATOM 462 CB SER A 30 9.017 4.519 -7.652 1.00 0.00 C ATOM 463 OG SER A 30 8.663 4.825 -6.313 1.00 0.00 O ATOM 0 H SER A 30 6.604 3.766 -7.462 1.00 0.00 H new ATOM 0 HA SER A 30 8.371 3.081 -9.147 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.101 4.551 -7.760 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.608 5.277 -8.320 1.00 0.00 H new ATOM 0 HG SER A 30 9.475 4.919 -5.773 1.00 0.00 H new ATOM 469 N ALA A 31 9.619 1.169 -8.756 1.00 0.00 N ATOM 470 CA ALA A 31 10.529 0.036 -8.762 1.00 0.00 C ATOM 471 C ALA A 31 11.916 0.493 -9.186 1.00 0.00 C ATOM 472 O ALA A 31 12.916 -0.175 -8.906 1.00 0.00 O ATOM 473 CB ALA A 31 9.976 -1.014 -9.676 1.00 0.00 C ATOM 0 H ALA A 31 9.046 1.225 -9.598 1.00 0.00 H new ATOM 0 HA ALA A 31 10.623 -0.392 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.647 -1.872 -9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.995 -1.327 -9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.883 -0.607 -10.683 1.00 0.00 H new ATOM 479 N SER A 32 11.928 1.633 -9.906 1.00 0.00 N ATOM 480 CA SER A 32 13.138 2.347 -10.324 1.00 0.00 C ATOM 481 C SER A 32 13.789 1.840 -11.622 1.00 0.00 C ATOM 482 O SER A 32 13.762 2.544 -12.636 1.00 0.00 O ATOM 483 CB SER A 32 14.136 2.341 -9.171 1.00 0.00 C ATOM 484 OG SER A 32 14.854 3.561 -9.089 1.00 0.00 O ATOM 0 H SER A 32 11.071 2.089 -10.218 1.00 0.00 H new ATOM 0 HA SER A 32 12.826 3.362 -10.568 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.607 2.167 -8.234 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.836 1.515 -9.300 1.00 0.00 H new ATOM 0 HG SER A 32 15.588 3.466 -8.447 1.00 0.00 H new ATOM 490 N ASN A 33 14.368 0.633 -11.591 1.00 0.00 N ATOM 491 CA ASN A 33 15.043 0.053 -12.753 1.00 0.00 C ATOM 492 C ASN A 33 14.044 -0.772 -13.529 1.00 0.00 C ATOM 493 O ASN A 33 14.242 -1.093 -14.705 1.00 0.00 O ATOM 494 CB ASN A 33 16.225 -0.806 -12.309 1.00 0.00 C ATOM 495 CG ASN A 33 17.493 0.005 -12.127 1.00 0.00 C ATOM 496 OD1 ASN A 33 17.766 0.519 -11.042 1.00 0.00 O ATOM 497 ND2 ASN A 33 18.278 0.122 -13.192 1.00 0.00 N ATOM 0 H ASN A 33 14.381 0.036 -10.764 1.00 0.00 H new ATOM 0 HA ASN A 33 15.432 0.848 -13.390 1.00 0.00 H new ATOM 0 HB2 ASN A 33 15.977 -1.303 -11.371 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.400 -1.588 -13.048 1.00 0.00 H new ATOM 0 HD21 ASN A 33 19.146 0.654 -13.130 1.00 0.00 H new ATOM 0 HD22 ASN A 33 18.013 -0.321 -14.072 1.00 0.00 H new ATOM 504 N MET A 34 12.965 -1.102 -12.824 1.00 0.00 N ATOM 505 CA MET A 34 11.855 -1.838 -13.375 1.00 0.00 C ATOM 506 C MET A 34 10.851 -0.840 -13.952 1.00 0.00 C ATOM 507 O MET A 34 10.278 -1.050 -15.025 1.00 0.00 O ATOM 508 CB MET A 34 11.193 -2.665 -12.279 1.00 0.00 C ATOM 509 CG MET A 34 10.116 -3.620 -12.773 1.00 0.00 C ATOM 510 SD MET A 34 9.095 -4.279 -11.443 1.00 0.00 S ATOM 511 CE MET A 34 7.761 -3.083 -11.434 1.00 0.00 C ATOM 0 H MET A 34 12.846 -0.857 -11.841 1.00 0.00 H new ATOM 0 HA MET A 34 12.203 -2.511 -14.159 1.00 0.00 H new ATOM 0 HB2 MET A 34 11.961 -3.240 -11.761 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.753 -1.988 -11.546 1.00 0.00 H new ATOM 0 HG2 MET A 34 9.479 -3.101 -13.489 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.587 -4.446 -13.305 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.106 -3.275 -10.585 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.174 -2.078 -11.353 1.00 0.00 H new ATOM 0 HE3 MET A 34 7.190 -3.167 -12.359 1.00 0.00 H new ATOM 521 N ARG A 35 10.669 0.246 -13.197 1.00 0.00 N ATOM 522 CA ARG A 35 9.773 1.319 -13.559 1.00 0.00 C ATOM 523 C ARG A 35 10.534 2.630 -13.523 1.00 0.00 C ATOM 524 O ARG A 35 11.160 2.989 -12.522 1.00 0.00 O ATOM 525 CB ARG A 35 8.558 1.344 -12.626 1.00 0.00 C ATOM 526 CG ARG A 35 7.659 2.571 -12.764 1.00 0.00 C ATOM 527 CD ARG A 35 6.305 2.367 -12.099 1.00 0.00 C ATOM 528 NE ARG A 35 5.637 1.125 -12.526 1.00 0.00 N ATOM 529 CZ ARG A 35 4.311 0.970 -12.636 1.00 0.00 C ATOM 530 NH1 ARG A 35 3.478 1.969 -12.357 1.00 0.00 N ATOM 531 NH2 ARG A 35 3.818 -0.195 -13.032 1.00 0.00 N ATOM 0 H ARG A 35 11.150 0.396 -12.310 1.00 0.00 H new ATOM 0 HA ARG A 35 9.396 1.161 -14.570 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.959 0.452 -12.811 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.909 1.285 -11.596 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.154 3.434 -12.320 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.513 2.796 -13.821 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.436 2.349 -11.017 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.662 3.217 -12.328 1.00 0.00 H new ATOM 0 HE ARG A 35 6.227 0.325 -12.754 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.846 2.871 -12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.471 1.833 -12.446 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.447 -0.967 -13.251 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.809 -0.319 -13.118 1.00 0.00 H new ATOM 545 N ASN A 36 10.450 3.321 -14.641 1.00 0.00 N ATOM 546 CA ASN A 36 11.115 4.606 -14.866 1.00 0.00 C ATOM 547 C ASN A 36 10.648 5.189 -16.210 1.00 0.00 C ATOM 548 O ASN A 36 10.651 6.409 -16.399 1.00 0.00 O ATOM 549 CB ASN A 36 12.659 4.441 -14.819 1.00 0.00 C ATOM 550 CG ASN A 36 13.426 5.727 -15.102 1.00 0.00 C ATOM 551 OD1 ASN A 36 13.750 6.030 -16.250 1.00 0.00 O ATOM 552 ND2 ASN A 36 13.717 6.485 -14.052 1.00 0.00 N ATOM 0 H ASN A 36 9.906 3.004 -15.444 1.00 0.00 H new ATOM 0 HA ASN A 36 10.843 5.302 -14.072 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.945 4.068 -13.836 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.956 3.685 -15.546 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.229 7.358 -14.179 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.428 6.195 -13.118 1.00 0.00 H new ATOM 559 N ALA A 37 10.248 4.295 -17.135 1.00 0.00 N ATOM 560 CA ALA A 37 9.756 4.685 -18.454 1.00 0.00 C ATOM 561 C ALA A 37 8.256 4.997 -18.432 1.00 0.00 C ATOM 562 O ALA A 37 7.818 5.947 -19.089 1.00 0.00 O ATOM 563 CB ALA A 37 10.053 3.590 -19.469 1.00 0.00 C ATOM 0 H ALA A 37 10.260 3.287 -16.981 1.00 0.00 H new ATOM 0 HA ALA A 37 10.277 5.597 -18.746 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.682 3.891 -20.449 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.129 3.426 -19.523 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.561 2.667 -19.163 1.00 0.00 H new ATOM 569 N ALA A 38 7.468 4.201 -17.680 1.00 0.00 N ATOM 570 CA ALA A 38 6.023 4.430 -17.599 1.00 0.00 C ATOM 571 C ALA A 38 5.654 5.226 -16.350 1.00 0.00 C ATOM 572 O ALA A 38 4.983 6.257 -16.457 1.00 0.00 O ATOM 573 CB ALA A 38 5.273 3.103 -17.639 1.00 0.00 C ATOM 0 H ALA A 38 7.806 3.410 -17.132 1.00 0.00 H new ATOM 0 HA ALA A 38 5.726 5.023 -18.464 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.201 3.289 -17.578 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.499 2.585 -18.571 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.582 2.485 -16.796 1.00 0.00 H new ATOM 579 N GLY A 39 6.094 4.754 -15.164 1.00 0.00 N ATOM 580 CA GLY A 39 5.856 5.470 -13.915 1.00 0.00 C ATOM 581 C GLY A 39 4.394 5.747 -13.605 1.00 0.00 C ATOM 582 O GLY A 39 4.096 6.573 -12.738 1.00 0.00 O ATOM 0 H GLY A 39 6.613 3.883 -15.056 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.283 4.893 -13.095 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.391 6.419 -13.949 1.00 0.00 H new ATOM 586 N GLN A 40 3.483 5.075 -14.319 1.00 0.00 N ATOM 587 CA GLN A 40 2.057 5.268 -14.108 1.00 0.00 C ATOM 588 C GLN A 40 1.573 4.413 -12.951 1.00 0.00 C ATOM 589 O GLN A 40 1.168 3.254 -13.108 1.00 0.00 O ATOM 590 CB GLN A 40 1.272 4.997 -15.383 1.00 0.00 C ATOM 591 CG GLN A 40 0.649 6.255 -15.958 1.00 0.00 C ATOM 592 CD GLN A 40 -0.561 5.969 -16.826 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.691 5.926 -16.341 1.00 0.00 O ATOM 594 NE2 GLN A 40 -0.328 5.772 -18.118 1.00 0.00 N ATOM 0 H GLN A 40 3.714 4.396 -15.044 1.00 0.00 H new ATOM 0 HA GLN A 40 1.883 6.311 -13.845 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.933 4.551 -16.125 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.488 4.269 -15.176 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.357 6.916 -15.142 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.395 6.788 -16.547 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.626 5.817 -18.477 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.103 5.576 -18.752 1.00 0.00 H new ATOM 603 N PHE A 41 1.647 5.031 -11.784 1.00 0.00 N ATOM 604 CA PHE A 41 1.284 4.414 -10.525 1.00 0.00 C ATOM 605 C PHE A 41 0.462 5.382 -9.672 1.00 0.00 C ATOM 606 O PHE A 41 -0.442 4.971 -8.936 1.00 0.00 O ATOM 607 CB PHE A 41 2.574 3.969 -9.808 1.00 0.00 C ATOM 608 CG PHE A 41 3.387 5.075 -9.172 1.00 0.00 C ATOM 609 CD1 PHE A 41 4.321 5.781 -9.911 1.00 0.00 C ATOM 610 CD2 PHE A 41 3.215 5.398 -7.834 1.00 0.00 C ATOM 611 CE1 PHE A 41 5.068 6.788 -9.331 1.00 0.00 C ATOM 612 CE2 PHE A 41 3.959 6.405 -7.248 1.00 0.00 C ATOM 613 CZ PHE A 41 4.887 7.101 -7.998 1.00 0.00 C ATOM 0 H PHE A 41 1.968 5.994 -11.686 1.00 0.00 H new ATOM 0 HA PHE A 41 0.659 3.539 -10.699 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.308 3.248 -9.035 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.205 3.447 -10.527 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.467 5.541 -10.954 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.491 4.856 -7.243 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.793 7.330 -9.920 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.815 6.647 -6.205 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.470 7.888 -7.543 1.00 0.00 H new ATOM 623 N ILE A 42 0.783 6.682 -9.799 1.00 0.00 N ATOM 624 CA ILE A 42 0.096 7.754 -9.067 1.00 0.00 C ATOM 625 C ILE A 42 -1.411 7.783 -9.357 1.00 0.00 C ATOM 626 O ILE A 42 -2.175 8.371 -8.590 1.00 0.00 O ATOM 627 CB ILE A 42 0.713 9.159 -9.348 1.00 0.00 C ATOM 628 CG1 ILE A 42 0.997 9.395 -10.846 1.00 0.00 C ATOM 629 CG2 ILE A 42 1.990 9.341 -8.541 1.00 0.00 C ATOM 630 CD1 ILE A 42 -0.152 10.041 -11.591 1.00 0.00 C ATOM 0 H ILE A 42 1.526 7.016 -10.413 1.00 0.00 H new ATOM 0 HA ILE A 42 0.240 7.523 -8.012 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.026 9.899 -9.041 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.881 10.025 -10.944 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.232 8.440 -11.317 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.412 10.325 -8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.764 9.256 -7.478 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.710 8.572 -8.821 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.122 10.175 -12.637 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.033 9.402 -11.526 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.374 11.012 -11.147 1.00 0.00 H new ATOM 642 N GLU A 43 -1.834 7.134 -10.464 1.00 0.00 N ATOM 643 CA GLU A 43 -3.251 7.081 -10.827 1.00 0.00 C ATOM 644 C GLU A 43 -4.038 6.211 -9.835 1.00 0.00 C ATOM 645 O GLU A 43 -4.932 6.723 -9.143 1.00 0.00 O ATOM 646 CB GLU A 43 -3.424 6.567 -12.270 1.00 0.00 C ATOM 647 CG GLU A 43 -3.795 7.647 -13.284 1.00 0.00 C ATOM 648 CD GLU A 43 -2.622 8.527 -13.682 1.00 0.00 C ATOM 649 OE1 GLU A 43 -2.640 9.728 -13.340 1.00 0.00 O ATOM 650 OE2 GLU A 43 -1.689 8.015 -14.337 1.00 0.00 O ATOM 0 H GLU A 43 -1.214 6.646 -11.111 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.654 8.093 -10.777 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.496 6.091 -12.587 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.196 5.797 -12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.203 7.173 -14.176 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.584 8.272 -12.866 1.00 0.00 H new ATOM 657 N ALA A 44 -3.695 4.906 -9.735 1.00 0.00 N ATOM 658 CA ALA A 44 -4.368 4.014 -8.785 1.00 0.00 C ATOM 659 C ALA A 44 -3.987 4.340 -7.339 1.00 0.00 C ATOM 660 O ALA A 44 -4.768 4.085 -6.422 1.00 0.00 O ATOM 661 CB ALA A 44 -4.035 2.564 -9.085 1.00 0.00 C ATOM 0 H ALA A 44 -2.967 4.460 -10.294 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.441 4.169 -8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.544 1.918 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.363 2.317 -10.094 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.958 2.414 -9.007 1.00 0.00 H new ATOM 667 N ALA A 45 -2.783 4.910 -7.145 1.00 0.00 N ATOM 668 CA ALA A 45 -2.299 5.283 -5.809 1.00 0.00 C ATOM 669 C ALA A 45 -3.097 6.456 -5.230 1.00 0.00 C ATOM 670 O ALA A 45 -3.511 6.417 -4.064 1.00 0.00 O ATOM 671 CB ALA A 45 -0.814 5.617 -5.853 1.00 0.00 C ATOM 0 H ALA A 45 -2.130 5.121 -7.899 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.446 4.426 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.473 5.891 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.256 4.748 -6.201 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.649 6.451 -6.535 1.00 0.00 H new ATOM 677 N TYR A 46 -3.340 7.486 -6.067 1.00 0.00 N ATOM 678 CA TYR A 46 -4.105 8.668 -5.646 1.00 0.00 C ATOM 679 C TYR A 46 -5.591 8.332 -5.529 1.00 0.00 C ATOM 680 O TYR A 46 -6.272 8.794 -4.605 1.00 0.00 O ATOM 681 CB TYR A 46 -3.905 9.821 -6.632 1.00 0.00 C ATOM 682 CG TYR A 46 -3.156 10.998 -6.047 1.00 0.00 C ATOM 683 CD1 TYR A 46 -1.771 11.072 -6.124 1.00 0.00 C ATOM 684 CD2 TYR A 46 -3.835 12.034 -5.418 1.00 0.00 C ATOM 685 CE1 TYR A 46 -1.083 12.145 -5.591 1.00 0.00 C ATOM 686 CE2 TYR A 46 -3.154 13.111 -4.883 1.00 0.00 C ATOM 687 CZ TYR A 46 -1.779 13.162 -4.972 1.00 0.00 C ATOM 688 OH TYR A 46 -1.098 14.233 -4.440 1.00 0.00 O ATOM 0 H TYR A 46 -3.017 7.519 -7.034 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.737 8.978 -4.668 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.362 9.453 -7.503 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.879 10.160 -6.983 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.223 10.278 -6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.912 11.997 -5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.006 12.187 -5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.696 13.909 -4.398 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.736 14.861 -4.041 1.00 0.00 H new ATOM 698 N ALA A 47 -6.078 7.498 -6.465 1.00 0.00 N ATOM 699 CA ALA A 47 -7.477 7.069 -6.478 1.00 0.00 C ATOM 700 C ALA A 47 -7.799 6.144 -5.304 1.00 0.00 C ATOM 701 O ALA A 47 -8.841 6.299 -4.655 1.00 0.00 O ATOM 702 CB ALA A 47 -7.801 6.390 -7.791 1.00 0.00 C ATOM 0 H ALA A 47 -5.516 7.110 -7.223 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.098 7.958 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.844 6.075 -7.790 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.633 7.087 -8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.159 5.518 -7.918 1.00 0.00 H new ATOM 708 N LYS A 48 -6.891 5.189 -5.019 1.00 0.00 N ATOM 709 CA LYS A 48 -7.085 4.261 -3.902 1.00 0.00 C ATOM 710 C LYS A 48 -6.993 5.001 -2.581 1.00 0.00 C ATOM 711 O LYS A 48 -7.782 4.736 -1.676 1.00 0.00 O ATOM 712 CB LYS A 48 -6.104 3.096 -3.948 1.00 0.00 C ATOM 713 CG LYS A 48 -6.501 2.020 -4.954 1.00 0.00 C ATOM 714 CD LYS A 48 -7.664 1.139 -4.479 1.00 0.00 C ATOM 715 CE LYS A 48 -9.042 1.642 -4.940 1.00 0.00 C ATOM 716 NZ LYS A 48 -8.973 2.582 -6.100 1.00 0.00 N ATOM 0 H LYS A 48 -6.028 5.046 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.084 3.835 -3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.113 3.473 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.032 2.649 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.777 2.497 -5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.637 1.388 -5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.515 0.124 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.650 1.088 -3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.661 0.787 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.536 2.141 -4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.932 2.896 -6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.394 3.407 -5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.545 2.097 -6.914 1.00 0.00 H new ATOM 730 N ALA A 49 -6.010 5.918 -2.473 1.00 0.00 N ATOM 731 CA ALA A 49 -5.875 6.779 -1.287 1.00 0.00 C ATOM 732 C ALA A 49 -7.209 7.502 -1.046 1.00 0.00 C ATOM 733 O ALA A 49 -7.745 7.519 0.078 1.00 0.00 O ATOM 734 CB ALA A 49 -4.739 7.779 -1.476 1.00 0.00 C ATOM 0 H ALA A 49 -5.303 6.079 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.633 6.169 -0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.655 8.406 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.803 7.242 -1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.946 8.405 -2.344 1.00 0.00 H new ATOM 740 N LEU A 50 -7.774 8.042 -2.147 1.00 0.00 N ATOM 741 CA LEU A 50 -9.072 8.712 -2.108 1.00 0.00 C ATOM 742 C LEU A 50 -10.166 7.711 -1.712 1.00 0.00 C ATOM 743 O LEU A 50 -11.161 8.090 -1.082 1.00 0.00 O ATOM 744 CB LEU A 50 -9.383 9.379 -3.454 1.00 0.00 C ATOM 745 CG LEU A 50 -8.669 10.722 -3.687 1.00 0.00 C ATOM 746 CD1 LEU A 50 -8.468 10.983 -5.171 1.00 0.00 C ATOM 747 CD2 LEU A 50 -9.455 11.869 -3.059 1.00 0.00 C ATOM 0 H LEU A 50 -7.343 8.022 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.040 9.500 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.108 8.693 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.459 9.538 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.691 10.663 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.961 11.938 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.862 10.186 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.437 11.012 -5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.932 12.809 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.448 11.917 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.548 11.702 -1.986 1.00 0.00 H new ATOM 759 N ARG A 51 -9.969 6.418 -2.076 1.00 0.00 N ATOM 760 CA ARG A 51 -10.911 5.364 -1.680 1.00 0.00 C ATOM 761 C ARG A 51 -10.752 5.083 -0.181 1.00 0.00 C ATOM 762 O ARG A 51 -11.739 4.890 0.519 1.00 0.00 O ATOM 763 CB ARG A 51 -10.767 4.073 -2.512 1.00 0.00 C ATOM 764 CG ARG A 51 -11.586 4.064 -3.815 1.00 0.00 C ATOM 765 CD ARG A 51 -13.084 3.917 -3.544 1.00 0.00 C ATOM 766 NE ARG A 51 -13.867 3.522 -4.717 1.00 0.00 N ATOM 767 CZ ARG A 51 -15.112 3.018 -4.655 1.00 0.00 C ATOM 768 NH1 ARG A 51 -15.725 2.836 -3.487 1.00 0.00 N ATOM 769 NH2 ARG A 51 -15.752 2.709 -5.774 1.00 0.00 N ATOM 0 H ARG A 51 -9.178 6.094 -2.633 1.00 0.00 H new ATOM 0 HA ARG A 51 -11.919 5.727 -1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.715 3.928 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.071 3.224 -1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.405 4.988 -4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.249 3.245 -4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.229 3.177 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.469 4.864 -3.166 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.442 3.636 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.250 3.080 -2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.670 2.452 -3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.300 2.854 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.697 2.326 -5.732 1.00 0.00 H new ATOM 783 N ILE A 52 -9.509 5.104 0.334 1.00 0.00 N ATOM 784 CA ILE A 52 -9.281 4.932 1.781 1.00 0.00 C ATOM 785 C ILE A 52 -9.991 6.092 2.502 1.00 0.00 C ATOM 786 O ILE A 52 -10.353 5.994 3.679 1.00 0.00 O ATOM 787 CB ILE A 52 -7.758 4.875 2.132 1.00 0.00 C ATOM 788 CG1 ILE A 52 -7.150 3.565 1.625 1.00 0.00 C ATOM 789 CG2 ILE A 52 -7.496 5.007 3.633 1.00 0.00 C ATOM 790 CD1 ILE A 52 -6.053 3.766 0.613 1.00 0.00 C ATOM 0 H ILE A 52 -8.661 5.236 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.691 3.977 2.111 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.288 5.725 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.754 3.005 2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.937 2.956 1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.423 4.961 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.886 5.961 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.992 4.193 4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.668 2.797 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.449 4.299 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.248 4.348 1.060 1.00 0.00 H new ATOM 802 N GLU A 53 -10.185 7.182 1.740 1.00 0.00 N ATOM 803 CA GLU A 53 -10.910 8.361 2.204 1.00 0.00 C ATOM 804 C GLU A 53 -12.426 8.175 2.006 1.00 0.00 C ATOM 805 O GLU A 53 -13.206 8.779 2.719 1.00 0.00 O ATOM 806 CB GLU A 53 -10.411 9.617 1.480 1.00 0.00 C ATOM 807 CG GLU A 53 -8.995 10.045 1.861 1.00 0.00 C ATOM 808 CD GLU A 53 -8.936 10.793 3.182 1.00 0.00 C ATOM 809 OE1 GLU A 53 -9.057 12.037 3.166 1.00 0.00 O ATOM 810 OE2 GLU A 53 -8.770 10.135 4.231 1.00 0.00 O ATOM 0 H GLU A 53 -9.840 7.263 0.784 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.722 8.488 3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.447 9.440 0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.095 10.439 1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.358 9.162 1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.588 10.678 1.073 1.00 0.00 H new ATOM 817 N LEU A 54 -12.845 7.373 1.003 1.00 0.00 N ATOM 818 CA LEU A 54 -14.280 7.054 0.798 1.00 0.00 C ATOM 819 C LEU A 54 -14.772 6.198 1.961 1.00 0.00 C ATOM 820 O LEU A 54 -15.942 6.231 2.349 1.00 0.00 O ATOM 821 CB LEU A 54 -14.485 6.367 -0.604 1.00 0.00 C ATOM 822 CG LEU A 54 -14.831 4.829 -0.736 1.00 0.00 C ATOM 823 CD1 LEU A 54 -13.749 3.954 -0.170 1.00 0.00 C ATOM 824 CD2 LEU A 54 -16.150 4.423 -0.105 1.00 0.00 C ATOM 0 H LEU A 54 -12.218 6.937 0.327 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.879 7.965 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.281 6.914 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.571 6.535 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.917 4.679 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.031 2.907 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.816 4.138 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.614 4.181 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.305 3.353 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.129 4.652 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.964 4.972 -0.578 1.00 0.00 H new ATOM 836 N ALA A 55 -13.819 5.437 2.484 1.00 0.00 N ATOM 837 CA ALA A 55 -13.995 4.539 3.635 1.00 0.00 C ATOM 838 C ALA A 55 -14.595 5.261 4.842 1.00 0.00 C ATOM 839 O ALA A 55 -15.051 4.640 5.806 1.00 0.00 O ATOM 840 CB ALA A 55 -12.659 3.931 4.013 1.00 0.00 C ATOM 0 H ALA A 55 -12.869 5.422 2.112 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.694 3.756 3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.790 3.266 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.265 3.365 3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.960 4.724 4.276 1.00 0.00 H new ATOM 846 N GLN A 56 -14.584 6.578 4.742 1.00 0.00 N ATOM 847 CA GLN A 56 -15.097 7.473 5.765 1.00 0.00 C ATOM 848 C GLN A 56 -16.402 8.121 5.358 1.00 0.00 C ATOM 849 O GLN A 56 -16.710 9.231 5.797 1.00 0.00 O ATOM 850 CB GLN A 56 -14.031 8.511 6.186 1.00 0.00 C ATOM 851 CG GLN A 56 -13.423 9.321 5.060 1.00 0.00 C ATOM 852 CD GLN A 56 -12.561 10.464 5.561 1.00 0.00 C ATOM 853 OE1 GLN A 56 -11.349 10.318 5.719 1.00 0.00 O ATOM 854 NE2 GLN A 56 -13.182 11.607 5.825 1.00 0.00 N ATOM 0 H GLN A 56 -14.210 7.067 3.929 1.00 0.00 H new ATOM 0 HA GLN A 56 -15.322 6.867 6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -14.482 9.199 6.901 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.229 7.989 6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.821 8.666 4.431 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -14.220 9.720 4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.189 11.686 5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.653 12.407 6.173 1.00 0.00 H new ATOM 863 N LEU A 57 -17.174 7.410 4.519 1.00 0.00 N ATOM 864 CA LEU A 57 -18.480 7.882 4.073 1.00 0.00 C ATOM 865 C LEU A 57 -19.388 8.141 5.250 1.00 0.00 C ATOM 866 O LEU A 57 -20.217 7.314 5.658 1.00 0.00 O ATOM 867 CB LEU A 57 -19.155 6.913 3.089 1.00 0.00 C ATOM 868 CG LEU A 57 -20.666 7.168 2.816 1.00 0.00 C ATOM 869 CD1 LEU A 57 -20.893 8.317 1.841 1.00 0.00 C ATOM 870 CD2 LEU A 57 -21.353 5.900 2.331 1.00 0.00 C ATOM 0 H LEU A 57 -16.907 6.502 4.139 1.00 0.00 H new ATOM 0 HA LEU A 57 -18.306 8.817 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -18.621 6.958 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -19.040 5.899 3.471 1.00 0.00 H new ATOM 0 HG LEU A 57 -21.115 7.463 3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -21.963 8.455 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -20.466 9.232 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -20.413 8.087 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -22.408 6.105 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -20.883 5.562 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -21.261 5.123 3.090 1.00 0.00 H new ATOM 882 N VAL A 58 -19.147 9.287 5.820 1.00 0.00 N ATOM 883 CA VAL A 58 -19.954 9.796 6.876 1.00 0.00 C ATOM 884 C VAL A 58 -21.092 10.506 6.148 1.00 0.00 C ATOM 885 O VAL A 58 -22.181 10.712 6.690 1.00 0.00 O ATOM 886 CB VAL A 58 -19.141 10.757 7.790 1.00 0.00 C ATOM 887 CG1 VAL A 58 -20.009 11.397 8.875 1.00 0.00 C ATOM 888 CG2 VAL A 58 -17.964 10.024 8.431 1.00 0.00 C ATOM 0 H VAL A 58 -18.373 9.897 5.556 1.00 0.00 H new ATOM 0 HA VAL A 58 -20.321 9.022 7.550 1.00 0.00 H new ATOM 0 HB VAL A 58 -18.765 11.557 7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.397 12.059 9.487 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.810 11.971 8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.440 10.617 9.503 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -17.408 10.714 9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -18.336 9.195 9.033 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -17.307 9.639 7.651 1.00 0.00 H new ATOM 898 N GLN A 59 -20.779 10.874 4.872 1.00 0.00 N ATOM 899 CA GLN A 59 -21.753 11.542 3.986 1.00 0.00 C ATOM 900 C GLN A 59 -21.382 11.553 2.479 1.00 0.00 C ATOM 901 O GLN A 59 -22.183 11.106 1.652 1.00 0.00 O ATOM 902 CB GLN A 59 -21.989 12.996 4.454 1.00 0.00 C ATOM 903 CG GLN A 59 -20.695 13.739 4.809 1.00 0.00 C ATOM 904 CD GLN A 59 -20.628 15.151 4.244 1.00 0.00 C ATOM 905 OE1 GLN A 59 -21.163 15.441 3.170 1.00 0.00 O ATOM 906 NE2 GLN A 59 -19.965 16.042 4.972 1.00 0.00 N ATOM 0 H GLN A 59 -19.866 10.717 4.446 1.00 0.00 H new ATOM 0 HA GLN A 59 -22.658 10.941 4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -22.509 13.543 3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -22.645 12.988 5.324 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -20.599 13.786 5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -19.844 13.167 4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -19.537 15.762 5.855 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.884 17.006 4.649 1.00 0.00 H new ATOM 915 N VAL A 60 -20.180 12.058 2.128 1.00 0.00 N ATOM 916 CA VAL A 60 -19.768 12.191 0.706 1.00 0.00 C ATOM 917 C VAL A 60 -18.497 11.426 0.329 1.00 0.00 C ATOM 918 O VAL A 60 -18.175 11.253 -0.864 1.00 0.00 O ATOM 919 CB VAL A 60 -19.571 13.675 0.300 1.00 0.00 C ATOM 920 CG1 VAL A 60 -20.907 14.315 -0.044 1.00 0.00 C ATOM 921 CG2 VAL A 60 -18.854 14.489 1.383 1.00 0.00 C ATOM 0 H VAL A 60 -19.481 12.378 2.799 1.00 0.00 H new ATOM 0 HA VAL A 60 -20.597 11.743 0.159 1.00 0.00 H new ATOM 0 HB VAL A 60 -18.931 13.681 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -20.750 15.356 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -21.364 13.778 -0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -21.566 14.270 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.742 15.520 1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -19.440 14.467 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -17.870 14.059 1.570 1.00 0.00 H new ATOM 931 N ASP A 61 -17.757 11.002 1.339 1.00 0.00 N ATOM 932 CA ASP A 61 -16.479 10.320 1.133 1.00 0.00 C ATOM 933 C ASP A 61 -16.583 9.150 0.153 1.00 0.00 C ATOM 934 O ASP A 61 -15.798 9.058 -0.793 1.00 0.00 O ATOM 935 CB ASP A 61 -15.877 9.884 2.469 1.00 0.00 C ATOM 936 CG ASP A 61 -16.022 10.950 3.546 1.00 0.00 C ATOM 937 OD1 ASP A 61 -15.026 11.637 3.843 1.00 0.00 O ATOM 938 OD2 ASP A 61 -17.141 11.105 4.078 1.00 0.00 O ATOM 0 H ASP A 61 -18.017 11.116 2.319 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.803 11.040 0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -16.363 8.967 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.821 9.653 2.330 1.00 0.00 H new ATOM 943 N LYS A 62 -17.543 8.256 0.367 1.00 0.00 N ATOM 944 CA LYS A 62 -17.738 7.116 -0.553 1.00 0.00 C ATOM 945 C LYS A 62 -17.824 7.549 -2.033 1.00 0.00 C ATOM 946 O LYS A 62 -17.289 6.866 -2.920 1.00 0.00 O ATOM 947 CB LYS A 62 -18.996 6.305 -0.177 1.00 0.00 C ATOM 948 CG LYS A 62 -19.750 5.667 -1.356 1.00 0.00 C ATOM 949 CD LYS A 62 -21.189 6.182 -1.471 1.00 0.00 C ATOM 950 CE LYS A 62 -21.279 7.608 -2.012 1.00 0.00 C ATOM 951 NZ LYS A 62 -22.194 7.703 -3.183 1.00 0.00 N ATOM 0 H LYS A 62 -18.193 8.287 1.152 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.855 6.487 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -18.704 5.515 0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.683 6.960 0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -19.216 5.877 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -19.762 4.584 -1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -21.755 5.517 -2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.661 6.143 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -21.629 8.274 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -20.285 7.950 -2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -22.293 8.699 -3.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -21.802 7.155 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -23.127 7.322 -2.926 1.00 0.00 H new ATOM 965 N VAL A 63 -18.464 8.701 -2.279 1.00 0.00 N ATOM 966 CA VAL A 63 -18.671 9.194 -3.639 1.00 0.00 C ATOM 967 C VAL A 63 -17.380 9.707 -4.265 1.00 0.00 C ATOM 968 O VAL A 63 -17.067 9.401 -5.427 1.00 0.00 O ATOM 969 CB VAL A 63 -19.795 10.272 -3.701 1.00 0.00 C ATOM 970 CG1 VAL A 63 -19.380 11.649 -3.183 1.00 0.00 C ATOM 971 CG2 VAL A 63 -20.299 10.380 -5.119 1.00 0.00 C ATOM 0 H VAL A 63 -18.845 9.305 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.002 8.341 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.584 9.936 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -20.222 12.337 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -19.075 11.568 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -18.547 12.025 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -21.086 11.133 -5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -19.478 10.669 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.697 9.417 -5.438 1.00 0.00 H new ATOM 981 N ARG A 64 -16.638 10.476 -3.481 1.00 0.00 N ATOM 982 CA ARG A 64 -15.369 11.040 -3.962 1.00 0.00 C ATOM 983 C ARG A 64 -14.372 9.918 -4.310 1.00 0.00 C ATOM 984 O ARG A 64 -13.707 9.958 -5.362 1.00 0.00 O ATOM 985 CB ARG A 64 -14.777 12.038 -2.944 1.00 0.00 C ATOM 986 CG ARG A 64 -14.809 11.578 -1.493 1.00 0.00 C ATOM 987 CD ARG A 64 -13.620 10.714 -1.139 1.00 0.00 C ATOM 988 NE ARG A 64 -13.401 10.648 0.317 1.00 0.00 N ATOM 989 CZ ARG A 64 -12.946 11.669 1.074 1.00 0.00 C ATOM 990 NH1 ARG A 64 -12.656 12.850 0.532 1.00 0.00 N ATOM 991 NH2 ARG A 64 -12.780 11.498 2.378 1.00 0.00 N ATOM 0 H ARG A 64 -16.881 10.725 -2.522 1.00 0.00 H new ATOM 0 HA ARG A 64 -15.570 11.599 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.743 12.244 -3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -15.322 12.979 -3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.830 12.449 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -15.728 11.020 -1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.774 9.708 -1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.727 11.110 -1.623 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.608 9.767 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.777 12.994 -0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.313 13.610 1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.996 10.598 2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.436 12.267 2.954 1.00 0.00 H new ATOM 1005 N GLY A 65 -14.325 8.885 -3.444 1.00 0.00 N ATOM 1006 CA GLY A 65 -13.438 7.757 -3.665 1.00 0.00 C ATOM 1007 C GLY A 65 -13.856 6.885 -4.836 1.00 0.00 C ATOM 1008 O GLY A 65 -12.993 6.381 -5.560 1.00 0.00 O ATOM 0 H GLY A 65 -14.890 8.821 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.427 8.127 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.404 7.148 -2.762 1.00 0.00 H new ATOM 1012 N THR A 66 -15.179 6.699 -5.030 1.00 0.00 N ATOM 1013 CA THR A 66 -15.677 5.877 -6.145 1.00 0.00 C ATOM 1014 C THR A 66 -15.353 6.533 -7.505 1.00 0.00 C ATOM 1015 O THR A 66 -14.909 5.856 -8.448 1.00 0.00 O ATOM 1016 CB THR A 66 -17.199 5.549 -6.010 1.00 0.00 C ATOM 1017 OG1 THR A 66 -17.555 4.515 -6.935 1.00 0.00 O ATOM 1018 CG2 THR A 66 -18.102 6.755 -6.251 1.00 0.00 C ATOM 0 H THR A 66 -15.907 7.100 -4.439 1.00 0.00 H new ATOM 0 HA THR A 66 -15.152 4.923 -6.100 1.00 0.00 H new ATOM 0 HB THR A 66 -17.353 5.227 -4.980 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.509 4.311 -6.846 1.00 0.00 H new ATOM 0 HG21 THR A 66 -19.145 6.457 -6.142 1.00 0.00 H new ATOM 0 HG22 THR A 66 -17.870 7.534 -5.525 1.00 0.00 H new ATOM 0 HG23 THR A 66 -17.938 7.137 -7.259 1.00 0.00 H new ATOM 1026 N LEU A 67 -15.545 7.868 -7.574 1.00 0.00 N ATOM 1027 CA LEU A 67 -15.256 8.647 -8.788 1.00 0.00 C ATOM 1028 C LEU A 67 -13.749 8.640 -9.083 1.00 0.00 C ATOM 1029 O LEU A 67 -13.332 8.556 -10.246 1.00 0.00 O ATOM 1030 CB LEU A 67 -15.763 10.090 -8.626 1.00 0.00 C ATOM 1031 CG LEU A 67 -16.012 10.863 -9.931 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -17.412 10.592 -10.468 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -15.805 12.354 -9.711 1.00 0.00 C ATOM 0 H LEU A 67 -15.900 8.426 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 67 -15.775 8.187 -9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -16.692 10.067 -8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.038 10.645 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.293 10.516 -10.674 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.562 11.151 -11.392 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.526 9.526 -10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -18.151 10.905 -9.731 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.985 12.888 -10.644 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.500 12.709 -8.950 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.782 12.535 -9.381 1.00 0.00 H new ATOM 1045 N ALA A 68 -12.941 8.701 -8.007 1.00 0.00 N ATOM 1046 CA ALA A 68 -11.477 8.668 -8.118 1.00 0.00 C ATOM 1047 C ALA A 68 -11.025 7.277 -8.571 1.00 0.00 C ATOM 1048 O ALA A 68 -10.151 7.129 -9.439 1.00 0.00 O ATOM 1049 CB ALA A 68 -10.839 9.030 -6.786 1.00 0.00 C ATOM 0 H ALA A 68 -13.283 8.774 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.158 9.401 -8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.754 9.002 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.151 10.033 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.154 8.316 -6.025 1.00 0.00 H new ATOM 1055 N LYS A 69 -11.682 6.263 -7.985 1.00 0.00 N ATOM 1056 CA LYS A 69 -11.446 4.858 -8.282 1.00 0.00 C ATOM 1057 C LYS A 69 -11.569 4.597 -9.781 1.00 0.00 C ATOM 1058 O LYS A 69 -10.678 4.003 -10.375 1.00 0.00 O ATOM 1059 CB LYS A 69 -12.437 4.024 -7.472 1.00 0.00 C ATOM 1060 CG LYS A 69 -12.938 2.782 -8.181 1.00 0.00 C ATOM 1061 CD LYS A 69 -12.383 1.499 -7.569 1.00 0.00 C ATOM 1062 CE LYS A 69 -13.308 0.908 -6.512 1.00 0.00 C ATOM 1063 NZ LYS A 69 -13.021 -0.531 -6.264 1.00 0.00 N ATOM 0 H LYS A 69 -12.404 6.409 -7.279 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.432 4.575 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.963 3.727 -6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.292 4.649 -7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.027 2.759 -8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.658 2.830 -9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.222 0.764 -8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.411 1.705 -7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.199 1.465 -5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.344 1.022 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.523 -0.843 -5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.341 -1.094 -7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.998 -0.663 -6.133 1.00 0.00 H new ATOM 1077 N LEU A 70 -12.683 5.057 -10.371 1.00 0.00 N ATOM 1078 CA LEU A 70 -12.922 4.918 -11.810 1.00 0.00 C ATOM 1079 C LEU A 70 -11.861 5.724 -12.590 1.00 0.00 C ATOM 1080 O LEU A 70 -11.249 5.214 -13.563 1.00 0.00 O ATOM 1081 CB LEU A 70 -14.374 5.366 -12.114 1.00 0.00 C ATOM 1082 CG LEU A 70 -14.631 6.103 -13.440 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -15.985 5.713 -14.012 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -14.560 7.609 -13.229 1.00 0.00 C ATOM 0 H LEU A 70 -13.434 5.530 -9.868 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.823 3.881 -12.131 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.010 4.481 -12.093 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.703 6.013 -11.301 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.859 5.813 -14.152 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -16.150 6.244 -14.950 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.007 4.639 -14.194 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.769 5.977 -13.303 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.744 8.118 -14.175 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.314 7.911 -12.502 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.571 7.878 -12.858 1.00 0.00 H new ATOM 1096 N GLU A 71 -11.605 6.963 -12.091 1.00 0.00 N ATOM 1097 CA GLU A 71 -10.621 7.892 -12.684 1.00 0.00 C ATOM 1098 C GLU A 71 -9.307 7.166 -12.995 1.00 0.00 C ATOM 1099 O GLU A 71 -8.705 7.376 -14.053 1.00 0.00 O ATOM 1100 CB GLU A 71 -10.421 9.105 -11.733 1.00 0.00 C ATOM 1101 CG GLU A 71 -9.010 9.307 -11.151 1.00 0.00 C ATOM 1102 CD GLU A 71 -8.095 10.082 -12.082 1.00 0.00 C ATOM 1103 OE1 GLU A 71 -8.127 11.330 -12.042 1.00 0.00 O ATOM 1104 OE2 GLU A 71 -7.348 9.440 -12.850 1.00 0.00 O ATOM 0 H GLU A 71 -12.077 7.339 -11.269 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.996 8.270 -13.635 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.698 10.010 -12.274 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.120 9.004 -10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.086 9.836 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.566 8.334 -10.940 1.00 0.00 H new ATOM 1111 N ALA A 72 -8.884 6.317 -12.053 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.679 5.518 -12.223 1.00 0.00 C ATOM 1113 C ALA A 72 -8.002 4.203 -12.927 1.00 0.00 C ATOM 1114 O ALA A 72 -7.336 3.838 -13.881 1.00 0.00 O ATOM 1115 CB ALA A 72 -7.020 5.252 -10.885 1.00 0.00 C ATOM 0 H ALA A 72 -9.364 6.169 -11.165 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.982 6.081 -12.844 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.121 4.653 -11.035 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.751 6.199 -10.417 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.712 4.712 -10.239 1.00 0.00 H new ATOM 1121 N PHE A 73 -9.075 3.536 -12.486 1.00 0.00 N ATOM 1122 CA PHE A 73 -9.534 2.236 -13.034 1.00 0.00 C ATOM 1123 C PHE A 73 -9.640 2.213 -14.567 1.00 0.00 C ATOM 1124 O PHE A 73 -9.860 1.151 -15.160 1.00 0.00 O ATOM 1125 CB PHE A 73 -10.910 1.932 -12.437 1.00 0.00 C ATOM 1126 CG PHE A 73 -11.131 0.519 -11.976 1.00 0.00 C ATOM 1127 CD1 PHE A 73 -11.870 -0.364 -12.747 1.00 0.00 C ATOM 1128 CD2 PHE A 73 -10.633 0.086 -10.758 1.00 0.00 C ATOM 1129 CE1 PHE A 73 -12.106 -1.652 -12.311 1.00 0.00 C ATOM 1130 CE2 PHE A 73 -10.861 -1.202 -10.322 1.00 0.00 C ATOM 1131 CZ PHE A 73 -11.599 -2.073 -11.098 1.00 0.00 C ATOM 0 H PHE A 73 -9.663 3.882 -11.728 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.789 1.487 -12.765 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.072 2.599 -11.590 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.668 2.173 -13.182 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -12.265 -0.041 -13.699 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.060 0.765 -10.143 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.687 -2.330 -12.918 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.462 -1.529 -9.373 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.779 -3.082 -10.757 1.00 0.00 H new ATOM 1141 N ALA A 74 -9.488 3.392 -15.185 1.00 0.00 N ATOM 1142 CA ALA A 74 -9.549 3.556 -16.645 1.00 0.00 C ATOM 1143 C ALA A 74 -8.843 2.460 -17.488 1.00 0.00 C ATOM 1144 O ALA A 74 -9.542 1.718 -18.186 1.00 0.00 O ATOM 1145 CB ALA A 74 -9.020 4.934 -17.024 1.00 0.00 C ATOM 0 H ALA A 74 -9.318 4.264 -14.684 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.604 3.447 -16.897 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.065 5.056 -18.106 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.629 5.702 -16.547 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.987 5.031 -16.691 1.00 0.00 H new ATOM 1151 N ASP A 75 -7.495 2.334 -17.446 1.00 0.00 N ATOM 1152 CA ASP A 75 -6.826 1.314 -18.288 1.00 0.00 C ATOM 1153 C ASP A 75 -5.696 0.519 -17.619 1.00 0.00 C ATOM 1154 O ASP A 75 -5.810 -0.699 -17.451 1.00 0.00 O ATOM 1155 CB ASP A 75 -6.318 1.946 -19.596 1.00 0.00 C ATOM 1156 CG ASP A 75 -7.445 2.334 -20.535 1.00 0.00 C ATOM 1157 OD1 ASP A 75 -7.842 1.491 -21.366 1.00 0.00 O ATOM 1158 OD2 ASP A 75 -7.930 3.481 -20.438 1.00 0.00 O ATOM 0 H ASP A 75 -6.873 2.898 -16.866 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.605 0.578 -18.483 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.725 2.830 -19.361 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.655 1.243 -20.101 1.00 0.00 H new ATOM 1163 N THR A 76 -4.620 1.210 -17.241 1.00 0.00 N ATOM 1164 CA THR A 76 -3.426 0.557 -16.663 1.00 0.00 C ATOM 1165 C THR A 76 -3.409 0.750 -15.157 1.00 0.00 C ATOM 1166 O THR A 76 -2.361 0.842 -14.507 1.00 0.00 O ATOM 1167 CB THR A 76 -2.107 1.071 -17.330 1.00 0.00 C ATOM 1168 OG1 THR A 76 -0.968 0.420 -16.750 1.00 0.00 O ATOM 1169 CG2 THR A 76 -1.936 2.590 -17.215 1.00 0.00 C ATOM 0 H THR A 76 -4.543 2.224 -17.322 1.00 0.00 H new ATOM 0 HA THR A 76 -3.481 -0.512 -16.871 1.00 0.00 H new ATOM 0 HB THR A 76 -2.180 0.827 -18.390 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.048 0.429 -15.773 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.004 2.889 -17.695 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.773 3.088 -17.705 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.910 2.875 -16.163 1.00 0.00 H new ATOM 1177 N VAL A 77 -4.620 0.780 -14.636 1.00 0.00 N ATOM 1178 CA VAL A 77 -4.901 1.003 -13.230 1.00 0.00 C ATOM 1179 C VAL A 77 -6.288 0.408 -12.921 1.00 0.00 C ATOM 1180 O VAL A 77 -7.018 0.870 -12.037 1.00 0.00 O ATOM 1181 CB VAL A 77 -4.833 2.522 -12.916 1.00 0.00 C ATOM 1182 CG1 VAL A 77 -3.453 2.861 -12.378 1.00 0.00 C ATOM 1183 CG2 VAL A 77 -5.123 3.375 -14.161 1.00 0.00 C ATOM 0 H VAL A 77 -5.462 0.646 -15.196 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.161 0.513 -12.598 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.597 2.748 -12.172 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.401 3.927 -12.156 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.267 2.291 -11.467 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.699 2.608 -13.124 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.066 4.432 -13.900 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.388 3.152 -14.934 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.122 3.147 -14.534 1.00 0.00 H new ATOM 1193 N ALA A 78 -6.600 -0.660 -13.681 1.00 0.00 N ATOM 1194 CA ALA A 78 -7.875 -1.383 -13.622 1.00 0.00 C ATOM 1195 C ALA A 78 -7.747 -2.707 -12.802 1.00 0.00 C ATOM 1196 O ALA A 78 -6.808 -2.804 -12.014 1.00 0.00 O ATOM 1197 CB ALA A 78 -8.318 -1.609 -15.068 1.00 0.00 C ATOM 0 H ALA A 78 -5.954 -1.049 -14.368 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.634 -0.807 -13.093 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.267 -2.146 -15.078 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.440 -0.647 -15.566 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.563 -2.195 -15.592 1.00 0.00 H new ATOM 1203 N PRO A 79 -8.688 -3.739 -12.925 1.00 0.00 N ATOM 1204 CA PRO A 79 -8.600 -5.018 -12.155 1.00 0.00 C ATOM 1205 C PRO A 79 -7.247 -5.751 -12.250 1.00 0.00 C ATOM 1206 O PRO A 79 -7.112 -6.772 -12.939 1.00 0.00 O ATOM 1207 CB PRO A 79 -9.720 -5.876 -12.759 1.00 0.00 C ATOM 1208 CG PRO A 79 -10.718 -4.902 -13.252 1.00 0.00 C ATOM 1209 CD PRO A 79 -9.923 -3.736 -13.765 1.00 0.00 C ATOM 0 HA PRO A 79 -8.698 -4.821 -11.087 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -9.345 -6.503 -13.568 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -10.153 -6.543 -12.014 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -11.332 -5.335 -14.041 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.394 -4.595 -12.454 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.686 -3.850 -14.823 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.474 -2.801 -13.661 1.00 0.00 H new ATOM 1217 N GLN A 80 -6.248 -5.199 -11.558 1.00 0.00 N ATOM 1218 CA GLN A 80 -4.908 -5.780 -11.506 1.00 0.00 C ATOM 1219 C GLN A 80 -4.438 -5.852 -10.042 1.00 0.00 C ATOM 1220 O GLN A 80 -3.631 -5.040 -9.594 1.00 0.00 O ATOM 1221 CB GLN A 80 -3.940 -4.966 -12.406 1.00 0.00 C ATOM 1222 CG GLN A 80 -3.865 -3.462 -12.122 1.00 0.00 C ATOM 1223 CD GLN A 80 -2.934 -2.737 -13.074 1.00 0.00 C ATOM 1224 OE1 GLN A 80 -3.351 -2.269 -14.133 1.00 0.00 O ATOM 1225 NE2 GLN A 80 -1.663 -2.639 -12.699 1.00 0.00 N ATOM 0 H GLN A 80 -6.346 -4.338 -11.019 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.922 -6.798 -11.896 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.939 -5.386 -12.302 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.238 -5.105 -13.445 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.863 -3.031 -12.197 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.526 -3.305 -11.098 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.360 -3.042 -11.812 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.990 -2.161 -13.298 1.00 0.00 H new ATOM 1234 N LEU A 81 -4.934 -6.860 -9.306 1.00 0.00 N ATOM 1235 CA LEU A 81 -4.614 -7.012 -7.869 1.00 0.00 C ATOM 1236 C LEU A 81 -4.883 -8.432 -7.346 1.00 0.00 C ATOM 1237 O LEU A 81 -5.419 -9.284 -8.060 1.00 0.00 O ATOM 1238 CB LEU A 81 -5.437 -5.986 -7.026 1.00 0.00 C ATOM 1239 CG LEU A 81 -6.951 -6.270 -6.830 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -7.595 -5.148 -6.038 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -7.688 -6.459 -8.154 1.00 0.00 C ATOM 0 H LEU A 81 -5.555 -7.580 -9.676 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.546 -6.821 -7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.978 -5.915 -6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.336 -5.007 -7.495 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.030 -7.206 -6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.657 -5.358 -5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.117 -5.071 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.475 -4.208 -6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.742 -6.655 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.592 -5.555 -8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.256 -7.302 -8.694 1.00 0.00 H new ATOM 1253 N SER A 82 -4.494 -8.651 -6.079 1.00 0.00 N ATOM 1254 CA SER A 82 -4.700 -9.920 -5.385 1.00 0.00 C ATOM 1255 C SER A 82 -5.984 -9.833 -4.513 1.00 0.00 C ATOM 1256 O SER A 82 -6.551 -8.742 -4.393 1.00 0.00 O ATOM 1257 CB SER A 82 -3.462 -10.240 -4.533 1.00 0.00 C ATOM 1258 OG SER A 82 -3.017 -11.567 -4.753 1.00 0.00 O ATOM 0 H SER A 82 -4.026 -7.945 -5.510 1.00 0.00 H new ATOM 0 HA SER A 82 -4.836 -10.726 -6.106 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.661 -9.541 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.698 -10.103 -3.478 1.00 0.00 H new ATOM 0 HG SER A 82 -2.227 -11.743 -4.200 1.00 0.00 H new ATOM 1264 N PRO A 83 -6.478 -10.965 -3.891 1.00 0.00 N ATOM 1265 CA PRO A 83 -7.719 -10.973 -3.062 1.00 0.00 C ATOM 1266 C PRO A 83 -7.886 -9.831 -2.052 1.00 0.00 C ATOM 1267 O PRO A 83 -9.002 -9.324 -1.897 1.00 0.00 O ATOM 1268 CB PRO A 83 -7.640 -12.316 -2.338 1.00 0.00 C ATOM 1269 CG PRO A 83 -6.923 -13.206 -3.283 1.00 0.00 C ATOM 1270 CD PRO A 83 -5.901 -12.339 -3.969 1.00 0.00 C ATOM 0 HA PRO A 83 -8.585 -10.829 -3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.104 -12.226 -1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -8.633 -12.701 -2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.445 -14.032 -2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.611 -13.645 -4.005 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.933 -12.394 -3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.745 -12.648 -5.003 1.00 0.00 H new ATOM 1278 N GLY A 84 -6.812 -9.423 -1.371 1.00 0.00 N ATOM 1279 CA GLY A 84 -6.948 -8.349 -0.402 1.00 0.00 C ATOM 1280 C GLY A 84 -5.688 -8.058 0.395 1.00 0.00 C ATOM 1281 O GLY A 84 -4.699 -8.785 0.293 1.00 0.00 O ATOM 0 H GLY A 84 -5.873 -9.808 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.250 -7.441 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.751 -8.601 0.291 1.00 0.00 H new ATOM 1285 N ASP A 85 -5.758 -6.985 1.221 1.00 0.00 N ATOM 1286 CA ASP A 85 -4.646 -6.507 2.098 1.00 0.00 C ATOM 1287 C ASP A 85 -3.265 -6.421 1.403 1.00 0.00 C ATOM 1288 O ASP A 85 -2.287 -7.013 1.874 1.00 0.00 O ATOM 1289 CB ASP A 85 -4.540 -7.334 3.410 1.00 0.00 C ATOM 1290 CG ASP A 85 -4.538 -8.845 3.215 1.00 0.00 C ATOM 1291 OD1 ASP A 85 -3.445 -9.416 3.019 1.00 0.00 O ATOM 1292 OD2 ASP A 85 -5.629 -9.450 3.258 1.00 0.00 O ATOM 0 H ASP A 85 -6.600 -6.414 1.302 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.924 -5.482 2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.626 -7.048 3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.374 -7.067 4.060 1.00 0.00 H new ATOM 1297 N ILE A 86 -3.198 -5.719 0.258 1.00 0.00 N ATOM 1298 CA ILE A 86 -1.927 -5.544 -0.472 1.00 0.00 C ATOM 1299 C ILE A 86 -1.839 -4.215 -1.251 1.00 0.00 C ATOM 1300 O ILE A 86 -2.861 -3.658 -1.674 1.00 0.00 O ATOM 1301 CB ILE A 86 -1.578 -6.745 -1.421 1.00 0.00 C ATOM 1302 CG1 ILE A 86 -2.749 -7.726 -1.617 1.00 0.00 C ATOM 1303 CG2 ILE A 86 -0.372 -7.493 -0.877 1.00 0.00 C ATOM 1304 CD1 ILE A 86 -3.718 -7.334 -2.711 1.00 0.00 C ATOM 0 H ILE A 86 -4.001 -5.267 -0.180 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.178 -5.515 0.319 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.356 -6.318 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.346 -8.713 -1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.296 -7.812 -0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.132 -8.326 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.481 -6.817 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.599 -7.874 0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.510 -8.080 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.154 -6.362 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.189 -7.277 -3.662 1.00 0.00 H new ATOM 1316 N VAL A 87 -0.590 -3.699 -1.358 1.00 0.00 N ATOM 1317 CA VAL A 87 -0.223 -2.493 -2.152 1.00 0.00 C ATOM 1318 C VAL A 87 1.212 -2.717 -2.707 1.00 0.00 C ATOM 1319 O VAL A 87 2.085 -3.121 -1.933 1.00 0.00 O ATOM 1320 CB VAL A 87 -0.321 -1.180 -1.301 1.00 0.00 C ATOM 1321 CG1 VAL A 87 0.527 -1.236 -0.027 1.00 0.00 C ATOM 1322 CG2 VAL A 87 0.034 0.060 -2.124 1.00 0.00 C ATOM 0 H VAL A 87 0.211 -4.117 -0.885 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.926 -2.360 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.364 -1.102 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.421 -0.301 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.191 -2.064 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.574 -1.384 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.046 0.948 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.055 -0.030 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.653 0.147 -2.966 1.00 0.00 H new ATOM 1332 N VAL A 88 1.482 -2.466 -4.023 1.00 0.00 N ATOM 1333 CA VAL A 88 2.828 -2.747 -4.558 1.00 0.00 C ATOM 1334 C VAL A 88 3.778 -1.538 -4.474 1.00 0.00 C ATOM 1335 O VAL A 88 3.452 -0.451 -4.946 1.00 0.00 O ATOM 1336 CB VAL A 88 2.805 -3.245 -6.030 1.00 0.00 C ATOM 1337 CG1 VAL A 88 3.955 -4.208 -6.301 1.00 0.00 C ATOM 1338 CG2 VAL A 88 1.484 -3.887 -6.425 1.00 0.00 C ATOM 0 H VAL A 88 0.814 -2.088 -4.695 1.00 0.00 H new ATOM 0 HA VAL A 88 3.204 -3.542 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 88 2.925 -2.355 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.914 -4.541 -7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.903 -3.703 -6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.871 -5.071 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.534 -4.213 -7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.291 -4.747 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.678 -3.162 -6.311 1.00 0.00 H new ATOM 1348 N ALA A 89 4.947 -1.765 -3.838 1.00 0.00 N ATOM 1349 CA ALA A 89 6.020 -0.769 -3.690 1.00 0.00 C ATOM 1350 C ALA A 89 7.372 -1.488 -3.676 1.00 0.00 C ATOM 1351 O ALA A 89 7.743 -2.098 -2.665 1.00 0.00 O ATOM 1352 CB ALA A 89 5.828 0.046 -2.408 1.00 0.00 C ATOM 0 H ALA A 89 5.172 -2.662 -3.407 1.00 0.00 H new ATOM 0 HA ALA A 89 5.988 -0.076 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.632 0.777 -2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.870 0.564 -2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.846 -0.621 -1.546 1.00 0.00 H new ATOM 1358 N LEU A 90 8.101 -1.439 -4.802 1.00 0.00 N ATOM 1359 CA LEU A 90 9.403 -2.126 -4.885 1.00 0.00 C ATOM 1360 C LEU A 90 10.508 -1.206 -5.380 1.00 0.00 C ATOM 1361 O LEU A 90 10.247 -0.309 -6.164 1.00 0.00 O ATOM 1362 CB LEU A 90 9.322 -3.385 -5.784 1.00 0.00 C ATOM 1363 CG LEU A 90 8.923 -3.183 -7.266 1.00 0.00 C ATOM 1364 CD1 LEU A 90 9.302 -4.396 -8.090 1.00 0.00 C ATOM 1365 CD2 LEU A 90 7.430 -2.902 -7.420 1.00 0.00 C ATOM 0 H LEU A 90 7.822 -0.944 -5.649 1.00 0.00 H new ATOM 0 HA LEU A 90 9.652 -2.435 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.295 -3.877 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.607 -4.073 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 90 9.470 -2.313 -7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.013 -4.235 -9.129 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.379 -4.553 -8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.786 -5.275 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.192 -2.766 -8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.859 -3.742 -7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.172 -1.997 -6.871 1.00 0.00 H new ATOM 1377 N GLY A 91 11.732 -1.416 -4.878 1.00 0.00 N ATOM 1378 CA GLY A 91 12.886 -0.627 -5.323 1.00 0.00 C ATOM 1379 C GLY A 91 12.945 0.775 -4.736 1.00 0.00 C ATOM 1380 O GLY A 91 12.953 0.939 -3.515 1.00 0.00 O ATOM 0 H GLY A 91 11.947 -2.119 -4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.800 -1.159 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 91 12.864 -0.553 -6.410 1.00 0.00 H new ATOM 1384 N HIS A 92 12.978 1.788 -5.621 1.00 0.00 N ATOM 1385 CA HIS A 92 13.039 3.210 -5.207 1.00 0.00 C ATOM 1386 C HIS A 92 11.721 3.624 -4.552 1.00 0.00 C ATOM 1387 O HIS A 92 10.901 4.351 -5.123 1.00 0.00 O ATOM 1388 CB HIS A 92 13.357 4.112 -6.402 1.00 0.00 C ATOM 1389 CG HIS A 92 13.722 5.524 -6.038 1.00 0.00 C ATOM 1390 ND1 HIS A 92 15.022 5.982 -6.007 1.00 0.00 N ATOM 1391 CD2 HIS A 92 12.946 6.579 -5.691 1.00 0.00 C ATOM 1392 CE1 HIS A 92 15.031 7.256 -5.657 1.00 0.00 C ATOM 1393 NE2 HIS A 92 13.784 7.642 -5.460 1.00 0.00 N ATOM 0 H HIS A 92 12.964 1.652 -6.632 1.00 0.00 H new ATOM 0 HA HIS A 92 13.841 3.324 -4.478 1.00 0.00 H new ATOM 0 HB2 HIS A 92 14.180 3.671 -6.965 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.492 4.133 -7.065 1.00 0.00 H new ATOM 0 HD2 HIS A 92 11.869 6.583 -5.611 1.00 0.00 H new ATOM 0 HE1 HIS A 92 15.909 7.876 -5.550 1.00 0.00 H new ATOM 0 HE2 HIS A 92 13.491 8.578 -5.181 1.00 0.00 H new ATOM 1402 N THR A 93 11.553 3.128 -3.344 1.00 0.00 N ATOM 1403 CA THR A 93 10.358 3.356 -2.549 1.00 0.00 C ATOM 1404 C THR A 93 10.768 3.838 -1.141 1.00 0.00 C ATOM 1405 O THR A 93 11.266 3.038 -0.343 1.00 0.00 O ATOM 1406 CB THR A 93 9.502 2.050 -2.502 1.00 0.00 C ATOM 1407 OG1 THR A 93 10.174 1.035 -1.742 1.00 0.00 O ATOM 1408 CG2 THR A 93 9.255 1.529 -3.922 1.00 0.00 C ATOM 0 H THR A 93 12.250 2.547 -2.878 1.00 0.00 H new ATOM 0 HA THR A 93 9.741 4.133 -3.000 1.00 0.00 H new ATOM 0 HB THR A 93 8.550 2.285 -2.026 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.793 1.456 -1.109 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.657 0.619 -3.877 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.722 2.285 -4.499 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.210 1.313 -4.401 1.00 0.00 H new ATOM 1416 N PRO A 94 10.581 5.164 -0.812 1.00 0.00 N ATOM 1417 CA PRO A 94 10.996 5.730 0.496 1.00 0.00 C ATOM 1418 C PRO A 94 10.266 5.119 1.702 1.00 0.00 C ATOM 1419 O PRO A 94 9.240 5.633 2.162 1.00 0.00 O ATOM 1420 CB PRO A 94 10.698 7.233 0.357 1.00 0.00 C ATOM 1421 CG PRO A 94 9.682 7.343 -0.726 1.00 0.00 C ATOM 1422 CD PRO A 94 9.948 6.203 -1.671 1.00 0.00 C ATOM 0 HA PRO A 94 12.044 5.511 0.702 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.320 7.645 1.292 1.00 0.00 H new ATOM 0 HB3 PRO A 94 11.601 7.790 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.672 7.284 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.763 8.301 -1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.027 5.838 -2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.608 6.504 -2.485 1.00 0.00 H new ATOM 1430 N VAL A 95 10.827 4.006 2.194 1.00 0.00 N ATOM 1431 CA VAL A 95 10.285 3.265 3.346 1.00 0.00 C ATOM 1432 C VAL A 95 11.346 2.342 3.954 1.00 0.00 C ATOM 1433 O VAL A 95 11.506 2.281 5.176 1.00 0.00 O ATOM 1434 CB VAL A 95 9.036 2.397 2.985 1.00 0.00 C ATOM 1435 CG1 VAL A 95 7.767 3.229 3.047 1.00 0.00 C ATOM 1436 CG2 VAL A 95 9.164 1.730 1.612 1.00 0.00 C ATOM 0 H VAL A 95 11.673 3.591 1.804 1.00 0.00 H new ATOM 0 HA VAL A 95 9.981 4.027 4.063 1.00 0.00 H new ATOM 0 HB VAL A 95 8.980 1.602 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.910 2.605 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.641 3.625 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.838 4.054 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.271 1.139 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.274 2.496 0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.039 1.080 1.604 1.00 0.00 H new ATOM 1446 N GLY A 96 12.075 1.647 3.069 1.00 0.00 N ATOM 1447 CA GLY A 96 13.104 0.687 3.469 1.00 0.00 C ATOM 1448 C GLY A 96 14.308 1.267 4.182 1.00 0.00 C ATOM 1449 O GLY A 96 14.521 0.986 5.365 1.00 0.00 O ATOM 0 H GLY A 96 11.965 1.737 2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.645 -0.058 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.451 0.163 2.578 1.00 0.00 H new ATOM 1453 N GLY A 97 15.090 2.075 3.465 1.00 0.00 N ATOM 1454 CA GLY A 97 16.325 2.617 4.024 1.00 0.00 C ATOM 1455 C GLY A 97 17.474 1.651 3.759 1.00 0.00 C ATOM 1456 O GLY A 97 18.651 1.992 3.898 1.00 0.00 O ATOM 0 H GLY A 97 14.892 2.365 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.543 3.588 3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.211 2.777 5.096 1.00 0.00 H new ATOM 1460 N ILE A 98 17.074 0.428 3.372 1.00 0.00 N ATOM 1461 CA ILE A 98 17.965 -0.676 3.025 1.00 0.00 C ATOM 1462 C ILE A 98 18.465 -0.465 1.572 1.00 0.00 C ATOM 1463 O ILE A 98 18.119 0.548 0.959 1.00 0.00 O ATOM 1464 CB ILE A 98 17.217 -2.063 3.250 1.00 0.00 C ATOM 1465 CG1 ILE A 98 17.791 -3.239 2.430 1.00 0.00 C ATOM 1466 CG2 ILE A 98 15.714 -1.951 2.985 1.00 0.00 C ATOM 1467 CD1 ILE A 98 19.031 -3.868 3.036 1.00 0.00 C ATOM 0 H ILE A 98 16.088 0.179 3.292 1.00 0.00 H new ATOM 0 HA ILE A 98 18.843 -0.700 3.671 1.00 0.00 H new ATOM 0 HB ILE A 98 17.392 -2.291 4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 98 17.022 -4.005 2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 98 18.029 -2.887 1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.242 -2.920 3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.279 -1.215 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.549 -1.638 1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 98 19.372 -4.686 2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 98 19.818 -3.118 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 98 18.796 -4.253 4.028 1.00 0.00 H new ATOM 1479 N PHE A 99 19.308 -1.369 1.046 1.00 0.00 N ATOM 1480 CA PHE A 99 19.805 -1.234 -0.327 1.00 0.00 C ATOM 1481 C PHE A 99 19.683 -2.546 -1.118 1.00 0.00 C ATOM 1482 O PHE A 99 20.586 -3.391 -1.106 1.00 0.00 O ATOM 1483 CB PHE A 99 21.258 -0.737 -0.312 1.00 0.00 C ATOM 1484 CG PHE A 99 21.699 -0.079 -1.594 1.00 0.00 C ATOM 1485 CD1 PHE A 99 22.273 -0.826 -2.610 1.00 0.00 C ATOM 1486 CD2 PHE A 99 21.539 1.285 -1.778 1.00 0.00 C ATOM 1487 CE1 PHE A 99 22.678 -0.225 -3.787 1.00 0.00 C ATOM 1488 CE2 PHE A 99 21.942 1.892 -2.952 1.00 0.00 C ATOM 1489 CZ PHE A 99 22.512 1.136 -3.958 1.00 0.00 C ATOM 0 H PHE A 99 19.654 -2.189 1.545 1.00 0.00 H new ATOM 0 HA PHE A 99 19.182 -0.499 -0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 99 21.379 -0.028 0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 99 21.917 -1.580 -0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 99 22.405 -1.890 -2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 99 21.094 1.881 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 99 23.124 -0.818 -4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 99 21.812 2.956 -3.083 1.00 0.00 H new ATOM 0 HZ PHE A 99 22.827 1.608 -4.877 1.00 0.00 H new ATOM 1499 N ASP A 100 18.533 -2.691 -1.798 1.00 0.00 N ATOM 1500 CA ASP A 100 18.228 -3.838 -2.665 1.00 0.00 C ATOM 1501 C ASP A 100 17.115 -3.475 -3.651 1.00 0.00 C ATOM 1502 O ASP A 100 16.012 -3.142 -3.247 1.00 0.00 O ATOM 1503 CB ASP A 100 17.775 -5.066 -1.853 1.00 0.00 C ATOM 1504 CG ASP A 100 18.916 -5.755 -1.132 1.00 0.00 C ATOM 1505 OD1 ASP A 100 19.606 -6.579 -1.768 1.00 0.00 O ATOM 1506 OD2 ASP A 100 19.121 -5.468 0.066 1.00 0.00 O ATOM 0 H ASP A 100 17.780 -2.004 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 100 19.146 -4.086 -3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.027 -4.756 -1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.292 -5.779 -2.522 1.00 0.00 H new ATOM 1511 N LEU A 101 17.390 -3.606 -4.945 1.00 0.00 N ATOM 1512 CA LEU A 101 16.391 -3.316 -5.980 1.00 0.00 C ATOM 1513 C LEU A 101 16.043 -4.598 -6.729 1.00 0.00 C ATOM 1514 O LEU A 101 16.933 -5.284 -7.236 1.00 0.00 O ATOM 1515 CB LEU A 101 16.920 -2.258 -6.955 1.00 0.00 C ATOM 1516 CG LEU A 101 16.108 -0.953 -7.074 1.00 0.00 C ATOM 1517 CD1 LEU A 101 16.262 -0.083 -5.829 1.00 0.00 C ATOM 1518 CD2 LEU A 101 16.563 -0.186 -8.303 1.00 0.00 C ATOM 0 H LEU A 101 18.294 -3.910 -5.306 1.00 0.00 H new ATOM 0 HA LEU A 101 15.492 -2.924 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 101 17.936 -2.000 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.983 -2.710 -7.945 1.00 0.00 H new ATOM 0 HG LEU A 101 15.054 -1.213 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.676 0.829 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.908 -0.631 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 101 17.312 0.176 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.990 0.737 -8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.623 0.052 -8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 101 16.404 -0.796 -9.192 1.00 0.00 H new ATOM 1530 N LYS A 102 14.767 -4.987 -6.691 1.00 0.00 N ATOM 1531 CA LYS A 102 14.329 -6.182 -7.403 1.00 0.00 C ATOM 1532 C LYS A 102 13.744 -5.845 -8.779 1.00 0.00 C ATOM 1533 O LYS A 102 12.664 -5.255 -8.896 1.00 0.00 O ATOM 1534 CB LYS A 102 13.372 -7.028 -6.524 1.00 0.00 C ATOM 1535 CG LYS A 102 11.921 -6.538 -6.421 1.00 0.00 C ATOM 1536 CD LYS A 102 10.992 -7.295 -7.367 1.00 0.00 C ATOM 1537 CE LYS A 102 9.736 -7.763 -6.650 1.00 0.00 C ATOM 1538 NZ LYS A 102 8.733 -8.325 -7.597 1.00 0.00 N ATOM 0 H LYS A 102 14.031 -4.498 -6.182 1.00 0.00 H new ATOM 0 HA LYS A 102 15.204 -6.801 -7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 102 13.361 -8.046 -6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.787 -7.077 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.570 -6.658 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.881 -5.473 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.718 -6.652 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.516 -8.154 -7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.000 -8.519 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.295 -6.927 -6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.891 -8.633 -7.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.461 -7.596 -8.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.145 -9.139 -8.096 1.00 0.00 H new ATOM 1552 N VAL A 103 14.509 -6.195 -9.815 1.00 0.00 N ATOM 1553 CA VAL A 103 14.109 -5.974 -11.203 1.00 0.00 C ATOM 1554 C VAL A 103 14.536 -7.197 -12.045 1.00 0.00 C ATOM 1555 O VAL A 103 15.633 -7.221 -12.621 1.00 0.00 O ATOM 1556 CB VAL A 103 14.715 -4.656 -11.805 1.00 0.00 C ATOM 1557 CG1 VAL A 103 14.185 -4.387 -13.215 1.00 0.00 C ATOM 1558 CG2 VAL A 103 14.431 -3.449 -10.913 1.00 0.00 C ATOM 0 H VAL A 103 15.422 -6.639 -9.714 1.00 0.00 H new ATOM 0 HA VAL A 103 13.026 -5.854 -11.228 1.00 0.00 H new ATOM 0 HB VAL A 103 15.793 -4.805 -11.859 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.626 -3.467 -13.600 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.451 -5.218 -13.868 1.00 0.00 H new ATOM 0 HG13 VAL A 103 13.100 -4.284 -13.182 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.865 -2.555 -11.361 1.00 0.00 H new ATOM 0 HG22 VAL A 103 13.354 -3.317 -10.811 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.871 -3.612 -9.929 1.00 0.00 H new ATOM 1568 N GLY A 104 13.683 -8.237 -12.046 1.00 0.00 N ATOM 1569 CA GLY A 104 13.936 -9.467 -12.813 1.00 0.00 C ATOM 1570 C GLY A 104 15.285 -10.118 -12.552 1.00 0.00 C ATOM 1571 O GLY A 104 15.460 -10.808 -11.546 1.00 0.00 O ATOM 0 H GLY A 104 12.809 -8.248 -11.521 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.151 -10.188 -12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 104 13.859 -9.237 -13.876 1.00 0.00 H new ATOM 1575 N SER A 105 16.238 -9.898 -13.475 1.00 0.00 N ATOM 1576 CA SER A 105 17.599 -10.448 -13.353 1.00 0.00 C ATOM 1577 C SER A 105 18.425 -9.638 -12.336 1.00 0.00 C ATOM 1578 O SER A 105 19.649 -9.781 -12.230 1.00 0.00 O ATOM 1579 CB SER A 105 18.287 -10.454 -14.724 1.00 0.00 C ATOM 1580 OG SER A 105 17.569 -11.248 -15.652 1.00 0.00 O ATOM 0 H SER A 105 16.089 -9.341 -14.316 1.00 0.00 H new ATOM 0 HA SER A 105 17.529 -11.474 -12.991 1.00 0.00 H new ATOM 0 HB2 SER A 105 18.366 -9.434 -15.099 1.00 0.00 H new ATOM 0 HB3 SER A 105 19.303 -10.836 -14.623 1.00 0.00 H new ATOM 0 HG SER A 105 18.027 -11.234 -16.518 1.00 0.00 H new ATOM 1586 N THR A 106 17.704 -8.806 -11.587 1.00 0.00 N ATOM 1587 CA THR A 106 18.251 -7.946 -10.548 1.00 0.00 C ATOM 1588 C THR A 106 17.274 -7.986 -9.373 1.00 0.00 C ATOM 1589 O THR A 106 17.079 -7.006 -8.659 1.00 0.00 O ATOM 1590 CB THR A 106 18.381 -6.493 -11.063 1.00 0.00 C ATOM 1591 OG1 THR A 106 18.755 -6.489 -12.443 1.00 0.00 O ATOM 1592 CG2 THR A 106 19.403 -5.695 -10.257 1.00 0.00 C ATOM 0 H THR A 106 16.694 -8.711 -11.692 1.00 0.00 H new ATOM 0 HA THR A 106 19.242 -8.289 -10.252 1.00 0.00 H new ATOM 0 HB THR A 106 17.408 -6.017 -10.943 1.00 0.00 H new ATOM 0 HG1 THR A 106 18.833 -5.564 -12.758 1.00 0.00 H new ATOM 0 HG21 THR A 106 19.464 -4.680 -10.650 1.00 0.00 H new ATOM 0 HG22 THR A 106 19.096 -5.661 -9.212 1.00 0.00 H new ATOM 0 HG23 THR A 106 20.380 -6.173 -10.333 1.00 0.00 H new ATOM 1600 N LYS A 107 16.682 -9.164 -9.190 1.00 0.00 N ATOM 1601 CA LYS A 107 15.659 -9.403 -8.183 1.00 0.00 C ATOM 1602 C LYS A 107 16.197 -9.439 -6.730 1.00 0.00 C ATOM 1603 O LYS A 107 16.565 -10.496 -6.206 1.00 0.00 O ATOM 1604 CB LYS A 107 14.925 -10.692 -8.577 1.00 0.00 C ATOM 1605 CG LYS A 107 13.510 -10.815 -8.031 1.00 0.00 C ATOM 1606 CD LYS A 107 12.737 -11.918 -8.746 1.00 0.00 C ATOM 1607 CE LYS A 107 11.252 -11.603 -8.827 1.00 0.00 C ATOM 1608 NZ LYS A 107 10.555 -11.842 -7.532 1.00 0.00 N ATOM 0 H LYS A 107 16.905 -9.989 -9.747 1.00 0.00 H new ATOM 0 HA LYS A 107 14.969 -8.559 -8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 107 14.886 -10.753 -9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.508 -11.545 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.547 -11.027 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.988 -9.866 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.136 -12.049 -9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.880 -12.862 -8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.119 -10.562 -9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.794 -12.216 -9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.545 -11.614 -7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.659 -12.841 -7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.973 -11.238 -6.796 1.00 0.00 H new ATOM 1622 N HIS A 108 16.248 -8.241 -6.110 1.00 0.00 N ATOM 1623 CA HIS A 108 16.665 -8.061 -4.709 1.00 0.00 C ATOM 1624 C HIS A 108 15.866 -6.882 -4.164 1.00 0.00 C ATOM 1625 O HIS A 108 16.169 -5.753 -4.468 1.00 0.00 O ATOM 1626 CB HIS A 108 18.178 -7.794 -4.564 1.00 0.00 C ATOM 1627 CG HIS A 108 19.058 -8.816 -5.224 1.00 0.00 C ATOM 1628 ND1 HIS A 108 18.998 -10.164 -4.938 1.00 0.00 N ATOM 1629 CD2 HIS A 108 20.008 -8.678 -6.179 1.00 0.00 C ATOM 1630 CE1 HIS A 108 19.873 -10.810 -5.689 1.00 0.00 C ATOM 1631 NE2 HIS A 108 20.498 -9.931 -6.450 1.00 0.00 N ATOM 0 H HIS A 108 15.999 -7.367 -6.574 1.00 0.00 H new ATOM 0 HA HIS A 108 16.472 -8.978 -4.153 1.00 0.00 H new ATOM 0 HB2 HIS A 108 18.403 -6.814 -4.985 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.426 -7.750 -3.504 1.00 0.00 H new ATOM 0 HD2 HIS A 108 20.322 -7.754 -6.641 1.00 0.00 H new ATOM 0 HE1 HIS A 108 20.047 -11.876 -5.681 1.00 0.00 H new ATOM 0 HE2 HIS A 108 21.227 -10.148 -7.129 1.00 0.00 H new ATOM 1640 N THR A 109 14.860 -7.145 -3.347 1.00 0.00 N ATOM 1641 CA THR A 109 13.968 -6.079 -2.862 1.00 0.00 C ATOM 1642 C THR A 109 14.313 -5.487 -1.498 1.00 0.00 C ATOM 1643 O THR A 109 14.577 -6.204 -0.534 1.00 0.00 O ATOM 1644 CB THR A 109 12.499 -6.568 -2.795 1.00 0.00 C ATOM 1645 OG1 THR A 109 12.289 -7.685 -3.667 1.00 0.00 O ATOM 1646 CG2 THR A 109 11.514 -5.452 -3.147 1.00 0.00 C ATOM 0 H THR A 109 14.633 -8.077 -3.002 1.00 0.00 H new ATOM 0 HA THR A 109 14.109 -5.288 -3.599 1.00 0.00 H new ATOM 0 HB THR A 109 12.315 -6.878 -1.766 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.330 -7.876 -3.729 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.495 -5.834 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 109 11.633 -4.627 -2.445 1.00 0.00 H new ATOM 0 HG23 THR A 109 11.711 -5.098 -4.159 1.00 0.00 H new ATOM 1654 N LEU A 110 14.308 -4.146 -1.466 1.00 0.00 N ATOM 1655 CA LEU A 110 14.501 -3.375 -0.239 1.00 0.00 C ATOM 1656 C LEU A 110 13.166 -2.669 0.122 1.00 0.00 C ATOM 1657 O LEU A 110 12.857 -1.598 -0.409 1.00 0.00 O ATOM 1658 CB LEU A 110 15.664 -2.343 -0.457 1.00 0.00 C ATOM 1659 CG LEU A 110 15.336 -0.983 -1.154 1.00 0.00 C ATOM 1660 CD1 LEU A 110 16.587 -0.147 -1.325 1.00 0.00 C ATOM 1661 CD2 LEU A 110 14.678 -1.166 -2.514 1.00 0.00 C ATOM 0 H LEU A 110 14.169 -3.569 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 110 14.780 -4.025 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 110 16.095 -2.119 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.439 -2.837 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 110 14.631 -0.471 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 110 16.332 0.794 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 110 17.024 0.057 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 110 17.306 -0.690 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.472 -0.190 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 110 15.346 -1.725 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.744 -1.715 -2.395 1.00 0.00 H new ATOM 1673 N GLN A 111 12.338 -3.265 0.995 1.00 0.00 N ATOM 1674 CA GLN A 111 11.075 -2.605 1.359 1.00 0.00 C ATOM 1675 C GLN A 111 10.651 -2.922 2.794 1.00 0.00 C ATOM 1676 O GLN A 111 10.000 -3.934 3.066 1.00 0.00 O ATOM 1677 CB GLN A 111 9.972 -2.971 0.337 1.00 0.00 C ATOM 1678 CG GLN A 111 8.805 -1.976 0.265 1.00 0.00 C ATOM 1679 CD GLN A 111 7.762 -2.148 1.370 1.00 0.00 C ATOM 1680 OE1 GLN A 111 7.210 -1.165 1.865 1.00 0.00 O ATOM 1681 NE2 GLN A 111 7.466 -3.392 1.747 1.00 0.00 N ATOM 0 H GLN A 111 12.509 -4.164 1.445 1.00 0.00 H new ATOM 0 HA GLN A 111 11.233 -1.527 1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.424 -3.051 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.577 -3.955 0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.204 -0.963 0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 111 8.313 -2.080 -0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 111 7.944 -4.183 1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 111 6.762 -3.553 2.467 1.00 0.00 H new ATOM 1690 N ALA A 112 11.043 -2.027 3.695 1.00 0.00 N ATOM 1691 CA ALA A 112 10.709 -2.126 5.115 1.00 0.00 C ATOM 1692 C ALA A 112 9.772 -0.997 5.540 1.00 0.00 C ATOM 1693 O ALA A 112 10.227 0.129 5.771 1.00 0.00 O ATOM 1694 CB ALA A 112 11.977 -2.144 5.965 1.00 0.00 C ATOM 0 H ALA A 112 11.604 -1.208 3.461 1.00 0.00 H new ATOM 0 HA ALA A 112 10.182 -3.066 5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 112 11.708 -2.218 7.019 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.590 -3.001 5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.540 -1.226 5.798 1.00 0.00 H new ATOM 1700 N ILE A 113 8.465 -1.276 5.630 1.00 0.00 N ATOM 1701 CA ILE A 113 7.522 -0.237 6.051 1.00 0.00 C ATOM 1702 C ILE A 113 6.937 -0.534 7.446 1.00 0.00 C ATOM 1703 O ILE A 113 7.209 0.214 8.390 1.00 0.00 O ATOM 1704 CB ILE A 113 6.417 0.075 4.971 1.00 0.00 C ATOM 1705 CG1 ILE A 113 5.451 1.176 5.471 1.00 0.00 C ATOM 1706 CG2 ILE A 113 5.652 -1.172 4.517 1.00 0.00 C ATOM 1707 CD1 ILE A 113 4.789 1.993 4.373 1.00 0.00 C ATOM 0 H ILE A 113 8.048 -2.184 5.424 1.00 0.00 H new ATOM 0 HA ILE A 113 8.095 0.686 6.140 1.00 0.00 H new ATOM 0 HB ILE A 113 6.940 0.447 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.673 0.710 6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.001 1.852 6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.906 -0.891 3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.349 -1.887 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.156 -1.627 5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 113 4.131 2.738 4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.555 2.494 3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.206 1.334 3.730 1.00 0.00 H new ATOM 1719 N GLU A 114 6.142 -1.612 7.582 1.00 0.00 N ATOM 1720 CA GLU A 114 5.523 -1.963 8.890 1.00 0.00 C ATOM 1721 C GLU A 114 4.956 -3.396 8.836 1.00 0.00 C ATOM 1722 O GLU A 114 5.237 -4.120 7.890 1.00 0.00 O ATOM 1723 CB GLU A 114 4.449 -0.870 9.260 1.00 0.00 C ATOM 1724 CG GLU A 114 3.204 -1.332 10.027 1.00 0.00 C ATOM 1725 CD GLU A 114 3.388 -1.288 11.532 1.00 0.00 C ATOM 1726 OE1 GLU A 114 4.161 -2.114 12.061 1.00 0.00 O ATOM 1727 OE2 GLU A 114 2.756 -0.429 12.182 1.00 0.00 O ATOM 0 H GLU A 114 5.911 -2.250 6.821 1.00 0.00 H new ATOM 0 HA GLU A 114 6.267 -1.963 9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.943 -0.100 9.853 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.118 -0.397 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.359 -0.702 9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.955 -2.350 9.726 1.00 0.00 H new ATOM 1734 N THR A 115 4.259 -3.834 9.895 1.00 0.00 N ATOM 1735 CA THR A 115 3.622 -5.148 9.897 1.00 0.00 C ATOM 1736 C THR A 115 2.116 -4.982 10.175 1.00 0.00 C ATOM 1737 O THR A 115 1.644 -5.159 11.305 1.00 0.00 O ATOM 1738 CB THR A 115 4.267 -6.102 10.941 1.00 0.00 C ATOM 1739 OG1 THR A 115 5.664 -5.809 11.085 1.00 0.00 O ATOM 1740 CG2 THR A 115 4.106 -7.562 10.529 1.00 0.00 C ATOM 0 H THR A 115 4.126 -3.298 10.752 1.00 0.00 H new ATOM 0 HA THR A 115 3.768 -5.602 8.917 1.00 0.00 H new ATOM 0 HB THR A 115 3.755 -5.945 11.891 1.00 0.00 H new ATOM 0 HG1 THR A 115 6.059 -6.415 11.746 1.00 0.00 H new ATOM 0 HG21 THR A 115 4.567 -8.205 11.279 1.00 0.00 H new ATOM 0 HG22 THR A 115 3.046 -7.802 10.448 1.00 0.00 H new ATOM 0 HG23 THR A 115 4.590 -7.724 9.566 1.00 0.00 H new ATOM 1748 N ARG A 116 1.383 -4.613 9.116 1.00 0.00 N ATOM 1749 CA ARG A 116 -0.072 -4.421 9.171 1.00 0.00 C ATOM 1750 C ARG A 116 -0.729 -5.101 7.974 1.00 0.00 C ATOM 1751 O ARG A 116 -0.357 -4.823 6.836 1.00 0.00 O ATOM 1752 CB ARG A 116 -0.427 -2.926 9.193 1.00 0.00 C ATOM 1753 CG ARG A 116 -0.128 -2.232 10.520 1.00 0.00 C ATOM 1754 CD ARG A 116 -1.306 -2.314 11.482 1.00 0.00 C ATOM 1755 NE ARG A 116 -1.003 -1.688 12.774 1.00 0.00 N ATOM 1756 CZ ARG A 116 -1.527 -0.531 13.205 1.00 0.00 C ATOM 1757 NH1 ARG A 116 -2.392 0.155 12.460 1.00 0.00 N ATOM 1758 NH2 ARG A 116 -1.180 -0.059 14.395 1.00 0.00 N ATOM 0 H ARG A 116 1.784 -4.439 8.194 1.00 0.00 H new ATOM 0 HA ARG A 116 -0.446 -4.872 10.090 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.124 -2.421 8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -1.487 -2.812 8.967 1.00 0.00 H new ATOM 0 HG2 ARG A 116 0.748 -2.689 10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 116 0.118 -1.186 10.335 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -2.173 -1.826 11.037 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -1.574 -3.359 11.639 1.00 0.00 H new ATOM 0 HE ARG A 116 -0.346 -2.168 13.389 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -2.667 -0.198 11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -2.779 1.033 12.806 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -0.519 -0.575 14.975 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -1.574 0.820 14.730 1.00 0.00 H new ATOM 1772 N VAL A 117 -1.665 -6.016 8.233 1.00 0.00 N ATOM 1773 CA VAL A 117 -2.363 -6.739 7.175 1.00 0.00 C ATOM 1774 C VAL A 117 -3.896 -6.677 7.365 1.00 0.00 C ATOM 1775 O VAL A 117 -4.455 -7.521 8.077 1.00 0.00 O ATOM 1776 CB VAL A 117 -1.900 -8.236 7.126 1.00 0.00 C ATOM 1777 CG1 VAL A 117 -2.450 -8.954 5.903 1.00 0.00 C ATOM 1778 CG2 VAL A 117 -0.377 -8.366 7.164 1.00 0.00 C ATOM 0 H VAL A 117 -1.957 -6.273 9.176 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.111 -6.255 6.232 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.305 -8.711 8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.108 -9.989 5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -3.540 -8.932 5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.098 -8.456 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.101 -9.420 7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.054 -7.849 6.307 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.003 -7.922 8.084 1.00 0.00 H new ATOM 1788 N LEU A 118 -4.583 -5.683 6.765 1.00 0.00 N ATOM 1789 CA LEU A 118 -6.042 -5.640 6.873 1.00 0.00 C ATOM 1790 C LEU A 118 -6.668 -5.932 5.510 1.00 0.00 C ATOM 1791 O LEU A 118 -6.436 -5.199 4.544 1.00 0.00 O ATOM 1792 CB LEU A 118 -6.530 -4.291 7.438 1.00 0.00 C ATOM 1793 CG LEU A 118 -6.448 -4.080 8.976 1.00 0.00 C ATOM 1794 CD1 LEU A 118 -7.218 -5.152 9.746 1.00 0.00 C ATOM 1795 CD2 LEU A 118 -4.999 -4.013 9.454 1.00 0.00 C ATOM 0 H LEU A 118 -4.164 -4.929 6.221 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.360 -6.409 7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -5.954 -3.499 6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.569 -4.157 7.136 1.00 0.00 H new ATOM 0 HG LEU A 118 -6.922 -3.121 9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.132 -4.964 10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.268 -5.125 9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.803 -6.134 9.516 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -4.979 -3.865 10.534 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.491 -4.945 9.206 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.492 -3.182 8.964 1.00 0.00 H new ATOM 1807 N ALA A 119 -7.451 -7.028 5.442 1.00 0.00 N ATOM 1808 CA ALA A 119 -8.106 -7.489 4.197 1.00 0.00 C ATOM 1809 C ALA A 119 -8.953 -6.408 3.524 1.00 0.00 C ATOM 1810 O ALA A 119 -9.993 -5.996 4.051 1.00 0.00 O ATOM 1811 CB ALA A 119 -8.947 -8.727 4.480 1.00 0.00 C ATOM 0 H ALA A 119 -7.648 -7.620 6.249 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.311 -7.735 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.426 -9.060 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.307 -9.521 4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.711 -8.487 5.220 1.00 0.00 H new ATOM 1817 N GLY A 120 -8.477 -5.943 2.353 1.00 0.00 N ATOM 1818 CA GLY A 120 -9.171 -4.911 1.612 1.00 0.00 C ATOM 1819 C GLY A 120 -8.735 -3.530 2.051 1.00 0.00 C ATOM 1820 O GLY A 120 -8.994 -2.533 1.374 1.00 0.00 O ATOM 0 H GLY A 120 -7.618 -6.274 1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.978 -5.034 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.246 -5.018 1.756 1.00 0.00 H new ATOM 1824 N SER A 121 -8.078 -3.493 3.207 1.00 0.00 N ATOM 1825 CA SER A 121 -7.553 -2.282 3.771 1.00 0.00 C ATOM 1826 C SER A 121 -6.031 -2.296 3.620 1.00 0.00 C ATOM 1827 O SER A 121 -5.484 -3.149 2.911 1.00 0.00 O ATOM 1828 CB SER A 121 -8.020 -2.078 5.223 1.00 0.00 C ATOM 1829 OG SER A 121 -7.733 -0.760 5.652 1.00 0.00 O ATOM 0 H SER A 121 -7.900 -4.321 3.775 1.00 0.00 H new ATOM 0 HA SER A 121 -7.943 -1.420 3.230 1.00 0.00 H new ATOM 0 HB2 SER A 121 -9.091 -2.267 5.297 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.524 -2.796 5.876 1.00 0.00 H new ATOM 0 HG SER A 121 -7.523 -0.201 4.875 1.00 0.00 H new ATOM 1835 N LYS A 122 -5.352 -1.364 4.275 1.00 0.00 N ATOM 1836 CA LYS A 122 -3.910 -1.205 4.149 1.00 0.00 C ATOM 1837 C LYS A 122 -3.110 -2.359 4.739 1.00 0.00 C ATOM 1838 O LYS A 122 -3.533 -3.035 5.691 1.00 0.00 O ATOM 1839 CB LYS A 122 -3.482 0.123 4.774 1.00 0.00 C ATOM 1840 CG LYS A 122 -4.059 1.332 4.036 1.00 0.00 C ATOM 1841 CD LYS A 122 -3.041 2.012 3.117 1.00 0.00 C ATOM 1842 CE LYS A 122 -2.993 1.370 1.735 1.00 0.00 C ATOM 1843 NZ LYS A 122 -2.040 2.069 0.829 1.00 0.00 N ATOM 0 H LYS A 122 -5.787 -0.695 4.910 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.686 -1.207 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.803 0.150 5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.394 0.187 4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.918 1.014 3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.423 2.056 4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.293 3.068 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -2.052 1.962 3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.701 0.324 1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.990 1.384 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.038 1.601 -0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.332 3.061 0.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.084 2.034 1.237 1.00 0.00 H new ATOM 1857 N MET A 123 -1.965 -2.585 4.100 1.00 0.00 N ATOM 1858 CA MET A 123 -1.017 -3.610 4.495 1.00 0.00 C ATOM 1859 C MET A 123 0.392 -3.090 4.299 1.00 0.00 C ATOM 1860 O MET A 123 0.828 -2.815 3.175 1.00 0.00 O ATOM 1861 CB MET A 123 -1.239 -4.921 3.715 1.00 0.00 C ATOM 1862 CG MET A 123 -0.204 -6.021 3.978 1.00 0.00 C ATOM 1863 SD MET A 123 0.494 -6.720 2.463 1.00 0.00 S ATOM 1864 CE MET A 123 1.690 -5.468 1.998 1.00 0.00 C ATOM 0 H MET A 123 -1.670 -2.051 3.282 1.00 0.00 H new ATOM 0 HA MET A 123 -1.171 -3.841 5.549 1.00 0.00 H new ATOM 0 HB2 MET A 123 -2.228 -5.308 3.961 1.00 0.00 H new ATOM 0 HB3 MET A 123 -1.242 -4.695 2.649 1.00 0.00 H new ATOM 0 HG2 MET A 123 0.603 -5.614 4.588 1.00 0.00 H new ATOM 0 HG3 MET A 123 -0.670 -6.818 4.557 1.00 0.00 H new ATOM 0 HE1 MET A 123 2.501 -5.931 1.436 1.00 0.00 H new ATOM 0 HE2 MET A 123 1.205 -4.713 1.379 1.00 0.00 H new ATOM 0 HE3 MET A 123 2.092 -4.998 2.895 1.00 0.00 H new ATOM 1874 N THR A 124 1.072 -2.937 5.416 1.00 0.00 N ATOM 1875 CA THR A 124 2.440 -2.487 5.438 1.00 0.00 C ATOM 1876 C THR A 124 3.296 -3.653 5.871 1.00 0.00 C ATOM 1877 O THR A 124 2.996 -4.307 6.872 1.00 0.00 O ATOM 1878 CB THR A 124 2.604 -1.289 6.381 1.00 0.00 C ATOM 1879 OG1 THR A 124 1.782 -1.466 7.540 1.00 0.00 O ATOM 1880 CG2 THR A 124 2.213 0.005 5.681 1.00 0.00 C ATOM 0 H THR A 124 0.683 -3.124 6.340 1.00 0.00 H new ATOM 0 HA THR A 124 2.748 -2.148 4.449 1.00 0.00 H new ATOM 0 HB THR A 124 3.651 -1.228 6.677 1.00 0.00 H new ATOM 0 HG1 THR A 124 0.961 -0.939 7.442 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.337 0.842 6.368 1.00 0.00 H new ATOM 0 HG22 THR A 124 2.850 0.154 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 124 1.172 -0.053 5.364 1.00 0.00 H new ATOM 1888 N VAL A 125 4.323 -3.939 5.080 1.00 0.00 N ATOM 1889 CA VAL A 125 5.207 -5.068 5.338 1.00 0.00 C ATOM 1890 C VAL A 125 6.681 -4.648 5.269 1.00 0.00 C ATOM 1891 O VAL A 125 7.045 -3.725 4.531 1.00 0.00 O ATOM 1892 CB VAL A 125 4.879 -6.202 4.324 1.00 0.00 C ATOM 1893 CG1 VAL A 125 5.990 -7.247 4.189 1.00 0.00 C ATOM 1894 CG2 VAL A 125 3.574 -6.890 4.707 1.00 0.00 C ATOM 0 H VAL A 125 4.565 -3.400 4.249 1.00 0.00 H new ATOM 0 HA VAL A 125 5.041 -5.438 6.350 1.00 0.00 H new ATOM 0 HB VAL A 125 4.783 -5.719 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.690 -8.005 3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.906 -6.763 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 125 6.166 -7.718 5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 125 3.356 -7.681 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 125 3.668 -7.320 5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.763 -6.161 4.701 1.00 0.00 H new ATOM 1904 N ALA A 126 7.517 -5.319 6.061 1.00 0.00 N ATOM 1905 CA ALA A 126 8.942 -5.044 6.051 1.00 0.00 C ATOM 1906 C ALA A 126 9.713 -6.296 5.669 1.00 0.00 C ATOM 1907 O ALA A 126 9.830 -7.244 6.455 1.00 0.00 O ATOM 1908 CB ALA A 126 9.397 -4.498 7.399 1.00 0.00 C ATOM 0 H ALA A 126 7.229 -6.050 6.711 1.00 0.00 H new ATOM 0 HA ALA A 126 9.147 -4.278 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.468 -4.299 7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.862 -3.573 7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.186 -5.231 8.178 1.00 0.00 H new ATOM 1914 N ARG A 127 10.221 -6.289 4.432 1.00 0.00 N ATOM 1915 CA ARG A 127 10.990 -7.407 3.895 1.00 0.00 C ATOM 1916 C ARG A 127 12.080 -6.932 2.938 1.00 0.00 C ATOM 1917 O ARG A 127 11.889 -5.984 2.159 1.00 0.00 O ATOM 1918 CB ARG A 127 10.076 -8.410 3.174 1.00 0.00 C ATOM 1919 CG ARG A 127 10.569 -9.854 3.252 1.00 0.00 C ATOM 1920 CD ARG A 127 9.895 -10.625 4.379 1.00 0.00 C ATOM 1921 NE ARG A 127 8.499 -10.961 4.069 1.00 0.00 N ATOM 1922 CZ ARG A 127 7.678 -11.641 4.882 1.00 0.00 C ATOM 1923 NH1 ARG A 127 8.090 -12.074 6.072 1.00 0.00 N ATOM 1924 NH2 ARG A 127 6.433 -11.888 4.497 1.00 0.00 N ATOM 0 H ARG A 127 10.109 -5.511 3.782 1.00 0.00 H new ATOM 0 HA ARG A 127 11.464 -7.901 4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 127 9.076 -8.353 3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 127 9.989 -8.121 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 127 10.376 -10.355 2.303 1.00 0.00 H new ATOM 0 HG3 ARG A 127 11.649 -9.861 3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.452 -11.541 4.573 1.00 0.00 H new ATOM 0 HD3 ARG A 127 9.929 -10.032 5.293 1.00 0.00 H new ATOM 0 HE ARG A 127 8.127 -10.655 3.170 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.045 -11.890 6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 127 7.450 -12.590 6.676 1.00 0.00 H new ATOM 0 HH21 ARG A 127 6.106 -11.561 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 127 5.803 -12.405 5.110 1.00 0.00 H new ATOM 1938 N VAL A 128 13.228 -7.589 3.041 1.00 0.00 N ATOM 1939 CA VAL A 128 14.373 -7.320 2.179 1.00 0.00 C ATOM 1940 C VAL A 128 14.784 -8.622 1.473 1.00 0.00 C ATOM 1941 O VAL A 128 15.469 -9.467 2.060 1.00 0.00 O ATOM 1942 CB VAL A 128 15.564 -6.647 2.952 1.00 0.00 C ATOM 1943 CG1 VAL A 128 15.826 -7.310 4.300 1.00 0.00 C ATOM 1944 CG2 VAL A 128 16.845 -6.610 2.117 1.00 0.00 C ATOM 0 H VAL A 128 13.392 -8.326 3.727 1.00 0.00 H new ATOM 0 HA VAL A 128 14.082 -6.590 1.424 1.00 0.00 H new ATOM 0 HB VAL A 128 15.256 -5.619 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 128 16.658 -6.810 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 128 14.934 -7.234 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 128 16.074 -8.360 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 128 17.641 -6.136 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 128 17.140 -7.627 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.668 -6.040 1.205 1.00 0.00 H new ATOM 1954 N VAL A 129 14.346 -8.772 0.215 1.00 0.00 N ATOM 1955 CA VAL A 129 14.650 -9.967 -0.584 1.00 0.00 C ATOM 1956 C VAL A 129 16.066 -9.866 -1.159 1.00 0.00 C ATOM 1957 O VAL A 129 16.314 -9.102 -2.095 1.00 0.00 O ATOM 1958 CB VAL A 129 13.609 -10.202 -1.729 1.00 0.00 C ATOM 1959 CG1 VAL A 129 13.748 -11.600 -2.330 1.00 0.00 C ATOM 1960 CG2 VAL A 129 12.180 -9.995 -1.234 1.00 0.00 C ATOM 0 H VAL A 129 13.778 -8.078 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 129 14.588 -10.828 0.081 1.00 0.00 H new ATOM 0 HB VAL A 129 13.820 -9.466 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 129 13.011 -11.731 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 129 14.749 -11.721 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 129 13.583 -12.348 -1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.483 -10.166 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 129 11.970 -10.696 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 129 12.066 -8.975 -0.868 1.00 0.00 H new