USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1000 hydrogens (45 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0334 (180deg=-0.0334) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.723 (180deg=-0.843) USER MOD Single : A 2 SER OG : rot 68:sc= 0.743 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -158:sc= -5.46! USER MOD Single : A 28 LYS NZ :NH3+ -151:sc=-0.00315 (180deg=-0.596) USER MOD Single : A 38 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-4.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -1.53 F(o=-4.4,f=-1.5) USER MOD Single : A 54 GLN : amide:sc= -0.805 K(o=-0.81,f=-2.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -9.37! C(o=-9.4!,f=-21!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -2.8! C(o=-2.8!,f=-3.6!) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -0.208 F(o=-1,f=-0.21) USER MOD Single : A 99 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.237 F(o=-2,f=-0.24) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc=0.000193 USER MOD Single : A 125 TYR OH : rot 81:sc= -0.416! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 79.168 24.331 -22.377 1.00 1.00 N ATOM 2 CA MET A 1 79.646 23.061 -23.002 1.00 1.00 C ATOM 3 C MET A 1 78.510 22.032 -22.920 1.00 1.00 C ATOM 4 O MET A 1 77.516 22.254 -22.232 1.00 1.00 O ATOM 5 CB MET A 1 80.907 22.540 -22.255 1.00 1.00 C ATOM 6 CG MET A 1 81.414 23.598 -21.267 1.00 1.00 C ATOM 7 SD MET A 1 82.868 22.975 -20.393 1.00 1.00 S ATOM 8 CE MET A 1 82.682 24.003 -18.915 1.00 1.00 C ATOM 0 H1 MET A 1 79.904 25.060 -22.466 1.00 1.00 H new ATOM 0 H2 MET A 1 78.303 24.651 -22.858 1.00 1.00 H new ATOM 0 H3 MET A 1 78.963 24.167 -21.371 1.00 1.00 H new ATOM 0 HA MET A 1 79.919 23.231 -24.044 1.00 1.00 H new ATOM 0 HB2 MET A 1 80.668 21.620 -21.722 1.00 1.00 H new ATOM 0 HB3 MET A 1 81.690 22.298 -22.974 1.00 1.00 H new ATOM 0 HG2 MET A 1 81.664 24.515 -21.800 1.00 1.00 H new ATOM 0 HG3 MET A 1 80.629 23.848 -20.553 1.00 1.00 H new ATOM 0 HE1 MET A 1 83.489 23.785 -18.216 1.00 1.00 H new ATOM 0 HE2 MET A 1 82.720 25.055 -19.197 1.00 1.00 H new ATOM 0 HE3 MET A 1 81.724 23.789 -18.441 1.00 1.00 H new ATOM 18 N SER A 2 78.667 20.908 -23.613 1.00 1.00 N ATOM 19 CA SER A 2 77.656 19.850 -23.606 1.00 1.00 C ATOM 20 C SER A 2 77.606 19.137 -22.255 1.00 1.00 C ATOM 21 O SER A 2 76.891 18.154 -22.120 1.00 1.00 O ATOM 22 CB SER A 2 77.978 18.831 -24.701 1.00 1.00 C ATOM 23 OG SER A 2 79.223 18.221 -24.402 1.00 1.00 O ATOM 0 H SER A 2 79.485 20.704 -24.188 1.00 1.00 H new ATOM 0 HA SER A 2 76.684 20.308 -23.789 1.00 1.00 H new ATOM 0 HB2 SER A 2 77.192 18.078 -24.759 1.00 1.00 H new ATOM 0 HB3 SER A 2 78.021 19.322 -25.673 1.00 1.00 H new ATOM 0 HG SER A 2 79.131 17.665 -23.601 1.00 1.00 H new ATOM 29 N ASP A 3 78.354 19.664 -21.274 1.00 1.00 N ATOM 30 CA ASP A 3 78.412 19.118 -19.899 1.00 1.00 C ATOM 31 C ASP A 3 79.824 19.227 -19.346 1.00 1.00 C ATOM 32 O ASP A 3 80.800 19.016 -20.067 1.00 1.00 O ATOM 33 CB ASP A 3 78.023 17.634 -19.803 1.00 1.00 C ATOM 34 CG ASP A 3 78.944 16.778 -20.673 1.00 1.00 C ATOM 35 OD1 ASP A 3 79.014 17.021 -21.865 1.00 1.00 O ATOM 36 OD2 ASP A 3 79.574 15.888 -20.124 1.00 1.00 O ATOM 0 H ASP A 3 78.942 20.487 -21.408 1.00 1.00 H new ATOM 0 HA ASP A 3 77.694 19.710 -19.332 1.00 1.00 H new ATOM 0 HB2 ASP A 3 78.083 17.303 -18.766 1.00 1.00 H new ATOM 0 HB3 ASP A 3 76.989 17.503 -20.120 1.00 1.00 H new ATOM 41 N PHE A 4 79.928 19.535 -18.057 1.00 1.00 N ATOM 42 CA PHE A 4 81.233 19.639 -17.411 1.00 1.00 C ATOM 43 C PHE A 4 81.108 19.401 -15.917 1.00 1.00 C ATOM 44 O PHE A 4 80.069 19.674 -15.313 1.00 1.00 O ATOM 45 CB PHE A 4 81.842 21.014 -17.649 1.00 1.00 C ATOM 46 CG PHE A 4 83.309 20.996 -17.267 1.00 1.00 C ATOM 47 CD1 PHE A 4 84.256 20.481 -18.160 1.00 1.00 C ATOM 48 CD2 PHE A 4 83.719 21.500 -16.025 1.00 1.00 C ATOM 49 CE1 PHE A 4 85.615 20.474 -17.814 1.00 1.00 C ATOM 50 CE2 PHE A 4 85.077 21.491 -15.679 1.00 1.00 C ATOM 51 CZ PHE A 4 86.024 20.979 -16.575 1.00 1.00 C ATOM 0 H PHE A 4 79.133 19.715 -17.444 1.00 1.00 H new ATOM 0 HA PHE A 4 81.882 18.879 -17.845 1.00 1.00 H new ATOM 0 HB2 PHE A 4 81.732 21.295 -18.697 1.00 1.00 H new ATOM 0 HB3 PHE A 4 81.312 21.764 -17.061 1.00 1.00 H new ATOM 0 HD1 PHE A 4 83.940 20.089 -19.115 1.00 1.00 H new ATOM 0 HD2 PHE A 4 82.988 21.895 -15.335 1.00 1.00 H new ATOM 0 HE1 PHE A 4 86.346 20.079 -18.504 1.00 1.00 H new ATOM 0 HE2 PHE A 4 85.393 21.879 -14.722 1.00 1.00 H new ATOM 0 HZ PHE A 4 87.071 20.974 -16.309 1.00 1.00 H new ATOM 61 N ASP A 5 82.179 18.892 -15.328 1.00 1.00 N ATOM 62 CA ASP A 5 82.215 18.611 -13.902 1.00 1.00 C ATOM 63 C ASP A 5 83.636 18.799 -13.381 1.00 1.00 C ATOM 64 O ASP A 5 84.600 18.507 -14.088 1.00 1.00 O ATOM 65 CB ASP A 5 81.747 17.172 -13.679 1.00 1.00 C ATOM 66 CG ASP A 5 80.232 17.079 -13.866 1.00 1.00 C ATOM 67 OD1 ASP A 5 79.529 17.919 -13.325 1.00 1.00 O ATOM 68 OD2 ASP A 5 79.798 16.179 -14.562 1.00 1.00 O ATOM 0 H ASP A 5 83.042 18.663 -15.821 1.00 1.00 H new ATOM 0 HA ASP A 5 81.558 19.293 -13.363 1.00 1.00 H new ATOM 0 HB2 ASP A 5 82.250 16.505 -14.379 1.00 1.00 H new ATOM 0 HB3 ASP A 5 82.019 16.844 -12.676 1.00 1.00 H new ATOM 73 N THR A 6 83.770 19.293 -12.152 1.00 1.00 N ATOM 74 CA THR A 6 85.088 19.523 -11.544 1.00 1.00 C ATOM 75 C THR A 6 85.343 18.514 -10.419 1.00 1.00 C ATOM 76 O THR A 6 84.726 17.480 -10.344 1.00 1.00 O ATOM 77 CB THR A 6 85.147 20.960 -10.980 1.00 1.00 C ATOM 78 OG1 THR A 6 84.576 21.849 -11.928 1.00 1.00 O ATOM 79 CG2 THR A 6 86.599 21.406 -10.686 1.00 1.00 C ATOM 0 H THR A 6 82.983 19.544 -11.553 1.00 1.00 H new ATOM 0 HA THR A 6 85.857 19.395 -12.306 1.00 1.00 H new ATOM 0 HB THR A 6 84.593 20.977 -10.042 1.00 1.00 H new ATOM 0 HG1 THR A 6 84.607 22.764 -11.578 1.00 1.00 H new ATOM 0 HG21 THR A 6 86.595 22.422 -10.291 1.00 1.00 H new ATOM 0 HG22 THR A 6 87.045 20.734 -9.953 1.00 1.00 H new ATOM 0 HG23 THR A 6 87.182 21.377 -11.607 1.00 1.00 H new ATOM 87 N GLU A 7 86.278 18.826 -9.569 1.00 1.00 N ATOM 88 CA GLU A 7 86.648 17.950 -8.473 1.00 1.00 C ATOM 89 C GLU A 7 85.428 17.686 -7.601 1.00 1.00 C ATOM 90 O GLU A 7 85.135 16.561 -7.225 1.00 1.00 O ATOM 91 CB GLU A 7 87.779 18.598 -7.650 1.00 1.00 C ATOM 92 CG GLU A 7 88.441 17.559 -6.732 1.00 1.00 C ATOM 93 CD GLU A 7 89.706 18.141 -6.095 1.00 1.00 C ATOM 94 OE1 GLU A 7 90.581 18.564 -6.835 1.00 1.00 O ATOM 95 OE2 GLU A 7 89.787 18.144 -4.877 1.00 1.00 O ATOM 0 H GLU A 7 86.812 19.694 -9.608 1.00 1.00 H new ATOM 0 HA GLU A 7 87.009 16.999 -8.866 1.00 1.00 H new ATOM 0 HB2 GLU A 7 88.524 19.027 -8.320 1.00 1.00 H new ATOM 0 HB3 GLU A 7 87.378 19.417 -7.052 1.00 1.00 H new ATOM 0 HG2 GLU A 7 87.742 17.253 -5.954 1.00 1.00 H new ATOM 0 HG3 GLU A 7 88.692 16.666 -7.304 1.00 1.00 H new ATOM 102 N ARG A 8 84.681 18.718 -7.307 1.00 1.00 N ATOM 103 CA ARG A 8 83.492 18.490 -6.511 1.00 1.00 C ATOM 104 C ARG A 8 82.455 17.731 -7.326 1.00 1.00 C ATOM 105 O ARG A 8 82.057 16.629 -7.004 1.00 1.00 O ATOM 106 CB ARG A 8 82.904 19.819 -6.077 1.00 1.00 C ATOM 107 CG ARG A 8 81.865 19.583 -4.984 1.00 1.00 C ATOM 108 CD ARG A 8 81.398 20.937 -4.448 1.00 1.00 C ATOM 109 NE ARG A 8 80.511 21.584 -5.412 1.00 1.00 N ATOM 110 CZ ARG A 8 80.968 22.424 -6.341 1.00 1.00 C ATOM 111 NH1 ARG A 8 82.250 22.654 -6.455 1.00 1.00 N ATOM 112 NH2 ARG A 8 80.129 23.011 -7.148 1.00 1.00 N ATOM 0 H ARG A 8 84.857 19.683 -7.588 1.00 1.00 H new ATOM 0 HA ARG A 8 83.765 17.903 -5.634 1.00 1.00 H new ATOM 0 HB2 ARG A 8 83.693 20.475 -5.708 1.00 1.00 H new ATOM 0 HB3 ARG A 8 82.444 20.321 -6.928 1.00 1.00 H new ATOM 0 HG2 ARG A 8 81.019 19.022 -5.382 1.00 1.00 H new ATOM 0 HG3 ARG A 8 82.293 18.986 -4.179 1.00 1.00 H new ATOM 0 HD2 ARG A 8 80.878 20.801 -3.499 1.00 1.00 H new ATOM 0 HD3 ARG A 8 82.260 21.575 -4.251 1.00 1.00 H new ATOM 0 HE ARG A 8 79.511 21.387 -5.373 1.00 1.00 H new ATOM 0 HH11 ARG A 8 82.909 22.189 -5.830 1.00 1.00 H new ATOM 0 HH12 ARG A 8 82.591 23.298 -7.169 1.00 1.00 H new ATOM 0 HH21 ARG A 8 79.129 22.827 -7.067 1.00 1.00 H new ATOM 0 HH22 ARG A 8 80.472 23.655 -7.861 1.00 1.00 H new ATOM 126 N VAL A 9 82.047 18.338 -8.405 1.00 1.00 N ATOM 127 CA VAL A 9 81.047 17.704 -9.256 1.00 1.00 C ATOM 128 C VAL A 9 81.586 16.366 -9.802 1.00 1.00 C ATOM 129 O VAL A 9 80.959 15.350 -9.636 1.00 1.00 O ATOM 130 CB VAL A 9 80.583 18.645 -10.412 1.00 1.00 C ATOM 131 CG1 VAL A 9 79.087 18.965 -10.278 1.00 1.00 C ATOM 132 CG2 VAL A 9 81.365 19.967 -10.382 1.00 1.00 C ATOM 0 H VAL A 9 82.375 19.250 -8.722 1.00 1.00 H new ATOM 0 HA VAL A 9 80.166 17.501 -8.646 1.00 1.00 H new ATOM 0 HB VAL A 9 80.769 18.127 -11.353 1.00 1.00 H new ATOM 0 HG11 VAL A 9 78.781 19.622 -11.092 1.00 1.00 H new ATOM 0 HG12 VAL A 9 78.512 18.040 -10.322 1.00 1.00 H new ATOM 0 HG13 VAL A 9 78.905 19.460 -9.324 1.00 1.00 H new ATOM 0 HG21 VAL A 9 81.027 20.608 -11.196 1.00 1.00 H new ATOM 0 HG22 VAL A 9 81.195 20.469 -9.429 1.00 1.00 H new ATOM 0 HG23 VAL A 9 82.429 19.763 -10.500 1.00 1.00 H new ATOM 142 N SER A 10 82.757 16.374 -10.409 1.00 1.00 N ATOM 143 CA SER A 10 83.328 15.111 -10.948 1.00 1.00 C ATOM 144 C SER A 10 83.729 14.128 -9.841 1.00 1.00 C ATOM 145 O SER A 10 83.188 13.044 -9.749 1.00 1.00 O ATOM 146 CB SER A 10 84.588 15.381 -11.796 1.00 1.00 C ATOM 147 OG SER A 10 84.439 16.593 -12.502 1.00 1.00 O ATOM 0 H SER A 10 83.333 17.204 -10.549 1.00 1.00 H new ATOM 0 HA SER A 10 82.537 14.674 -11.557 1.00 1.00 H new ATOM 0 HB2 SER A 10 85.467 15.430 -11.153 1.00 1.00 H new ATOM 0 HB3 SER A 10 84.750 14.560 -12.495 1.00 1.00 H new ATOM 0 HG SER A 10 85.042 16.598 -13.275 1.00 1.00 H new ATOM 153 N ARG A 11 84.708 14.489 -9.038 1.00 1.00 N ATOM 154 CA ARG A 11 85.192 13.573 -7.997 1.00 1.00 C ATOM 155 C ARG A 11 84.089 13.241 -6.989 1.00 1.00 C ATOM 156 O ARG A 11 83.925 12.083 -6.623 1.00 1.00 O ATOM 157 CB ARG A 11 86.447 14.143 -7.263 1.00 1.00 C ATOM 158 CG ARG A 11 87.757 13.419 -7.659 1.00 1.00 C ATOM 159 CD ARG A 11 88.782 13.590 -6.522 1.00 1.00 C ATOM 160 NE ARG A 11 90.101 13.103 -6.915 1.00 1.00 N ATOM 161 CZ ARG A 11 90.316 11.816 -7.142 1.00 1.00 C ATOM 162 NH1 ARG A 11 89.344 10.963 -6.992 1.00 1.00 N ATOM 163 NH2 ARG A 11 91.503 11.405 -7.496 1.00 1.00 N ATOM 0 H ARG A 11 85.184 15.390 -9.074 1.00 1.00 H new ATOM 0 HA ARG A 11 85.486 12.651 -8.498 1.00 1.00 H new ATOM 0 HB2 ARG A 11 86.542 15.205 -7.489 1.00 1.00 H new ATOM 0 HB3 ARG A 11 86.302 14.058 -6.186 1.00 1.00 H new ATOM 0 HG2 ARG A 11 87.564 12.361 -7.837 1.00 1.00 H new ATOM 0 HG3 ARG A 11 88.151 13.832 -8.587 1.00 1.00 H new ATOM 0 HD2 ARG A 11 88.849 14.642 -6.246 1.00 1.00 H new ATOM 0 HD3 ARG A 11 88.441 13.049 -5.639 1.00 1.00 H new ATOM 0 HE ARG A 11 90.870 13.765 -7.016 1.00 1.00 H new ATOM 0 HH11 ARG A 11 88.422 11.287 -6.701 1.00 1.00 H new ATOM 0 HH12 ARG A 11 89.505 9.971 -7.166 1.00 1.00 H new ATOM 0 HH21 ARG A 11 92.265 12.075 -7.598 1.00 1.00 H new ATOM 0 HH22 ARG A 11 91.668 10.414 -7.671 1.00 1.00 H new ATOM 177 N ALA A 12 83.324 14.241 -6.561 1.00 1.00 N ATOM 178 CA ALA A 12 82.243 13.936 -5.616 1.00 1.00 C ATOM 179 C ALA A 12 81.165 13.154 -6.336 1.00 1.00 C ATOM 180 O ALA A 12 80.825 12.045 -5.948 1.00 1.00 O ATOM 181 CB ALA A 12 81.610 15.182 -4.966 1.00 1.00 C ATOM 0 H ALA A 12 83.418 15.220 -6.832 1.00 1.00 H new ATOM 0 HA ALA A 12 82.690 13.357 -4.808 1.00 1.00 H new ATOM 0 HB1 ALA A 12 80.820 14.874 -4.281 1.00 1.00 H new ATOM 0 HB2 ALA A 12 82.373 15.732 -4.416 1.00 1.00 H new ATOM 0 HB3 ALA A 12 81.189 15.822 -5.741 1.00 1.00 H new ATOM 187 N VAL A 13 80.631 13.737 -7.399 1.00 1.00 N ATOM 188 CA VAL A 13 79.578 13.016 -8.105 1.00 1.00 C ATOM 189 C VAL A 13 80.166 11.730 -8.624 1.00 1.00 C ATOM 190 O VAL A 13 79.705 10.677 -8.286 1.00 1.00 O ATOM 191 CB VAL A 13 78.955 13.789 -9.290 1.00 1.00 C ATOM 192 CG1 VAL A 13 77.786 12.989 -9.892 1.00 1.00 C ATOM 193 CG2 VAL A 13 78.451 15.168 -8.814 1.00 1.00 C ATOM 0 H VAL A 13 80.887 14.650 -7.776 1.00 1.00 H new ATOM 0 HA VAL A 13 78.770 12.856 -7.391 1.00 1.00 H new ATOM 0 HB VAL A 13 79.719 13.930 -10.055 1.00 1.00 H new ATOM 0 HG11 VAL A 13 77.356 13.544 -10.726 1.00 1.00 H new ATOM 0 HG12 VAL A 13 78.150 12.025 -10.247 1.00 1.00 H new ATOM 0 HG13 VAL A 13 77.023 12.830 -9.130 1.00 1.00 H new ATOM 0 HG21 VAL A 13 78.014 15.706 -9.655 1.00 1.00 H new ATOM 0 HG22 VAL A 13 77.697 15.032 -8.039 1.00 1.00 H new ATOM 0 HG23 VAL A 13 79.286 15.741 -8.411 1.00 1.00 H new ATOM 203 N ALA A 14 81.232 11.788 -9.388 1.00 1.00 N ATOM 204 CA ALA A 14 81.762 10.514 -9.866 1.00 1.00 C ATOM 205 C ALA A 14 82.118 9.593 -8.713 1.00 1.00 C ATOM 206 O ALA A 14 81.506 8.557 -8.573 1.00 1.00 O ATOM 207 CB ALA A 14 83.010 10.669 -10.753 1.00 1.00 C ATOM 0 H ALA A 14 81.726 12.631 -9.680 1.00 1.00 H new ATOM 0 HA ALA A 14 80.960 10.083 -10.466 1.00 1.00 H new ATOM 0 HB1 ALA A 14 83.353 9.685 -11.074 1.00 1.00 H new ATOM 0 HB2 ALA A 14 82.762 11.270 -11.628 1.00 1.00 H new ATOM 0 HB3 ALA A 14 83.800 11.161 -10.186 1.00 1.00 H new ATOM 213 N ALA A 15 83.097 9.967 -7.903 1.00 1.00 N ATOM 214 CA ALA A 15 83.498 9.060 -6.819 1.00 1.00 C ATOM 215 C ALA A 15 82.291 8.690 -5.964 1.00 1.00 C ATOM 216 O ALA A 15 81.999 7.525 -5.764 1.00 1.00 O ATOM 217 CB ALA A 15 84.606 9.648 -5.932 1.00 1.00 C ATOM 0 H ALA A 15 83.612 10.846 -7.961 1.00 1.00 H new ATOM 0 HA ALA A 15 83.903 8.165 -7.292 1.00 1.00 H new ATOM 0 HB1 ALA A 15 84.862 8.935 -5.149 1.00 1.00 H new ATOM 0 HB2 ALA A 15 85.488 9.852 -6.539 1.00 1.00 H new ATOM 0 HB3 ALA A 15 84.255 10.575 -5.478 1.00 1.00 H new ATOM 223 N ALA A 16 81.603 9.684 -5.462 1.00 1.00 N ATOM 224 CA ALA A 16 80.447 9.382 -4.618 1.00 1.00 C ATOM 225 C ALA A 16 79.340 8.687 -5.442 1.00 1.00 C ATOM 226 O ALA A 16 78.848 7.617 -5.075 1.00 1.00 O ATOM 227 CB ALA A 16 79.899 10.666 -3.975 1.00 1.00 C ATOM 0 H ALA A 16 81.801 10.674 -5.607 1.00 1.00 H new ATOM 0 HA ALA A 16 80.770 8.705 -3.827 1.00 1.00 H new ATOM 0 HB1 ALA A 16 79.039 10.422 -3.351 1.00 1.00 H new ATOM 0 HB2 ALA A 16 80.674 11.125 -3.362 1.00 1.00 H new ATOM 0 HB3 ALA A 16 79.594 11.363 -4.756 1.00 1.00 H new ATOM 233 N LEU A 17 78.932 9.350 -6.517 1.00 1.00 N ATOM 234 CA LEU A 17 77.832 8.796 -7.357 1.00 1.00 C ATOM 235 C LEU A 17 78.240 7.395 -7.809 1.00 1.00 C ATOM 236 O LEU A 17 77.503 6.428 -7.609 1.00 1.00 O ATOM 237 CB LEU A 17 77.536 9.650 -8.611 1.00 1.00 C ATOM 238 CG LEU A 17 76.211 9.243 -9.312 1.00 1.00 C ATOM 239 CD1 LEU A 17 75.072 10.195 -8.913 1.00 1.00 C ATOM 240 CD2 LEU A 17 76.399 9.327 -10.839 1.00 1.00 C ATOM 0 H LEU A 17 79.317 10.240 -6.835 1.00 1.00 H new ATOM 0 HA LEU A 17 76.926 8.788 -6.751 1.00 1.00 H new ATOM 0 HB2 LEU A 17 77.484 10.701 -8.326 1.00 1.00 H new ATOM 0 HB3 LEU A 17 78.361 9.551 -9.316 1.00 1.00 H new ATOM 0 HG LEU A 17 75.957 8.228 -9.008 1.00 1.00 H new ATOM 0 HD11 LEU A 17 74.153 9.893 -9.415 1.00 1.00 H new ATOM 0 HD12 LEU A 17 74.926 10.156 -7.834 1.00 1.00 H new ATOM 0 HD13 LEU A 17 75.328 11.213 -9.208 1.00 1.00 H new ATOM 0 HD21 LEU A 17 75.472 9.042 -11.336 1.00 1.00 H new ATOM 0 HD22 LEU A 17 76.661 10.348 -11.118 1.00 1.00 H new ATOM 0 HD23 LEU A 17 77.197 8.651 -11.145 1.00 1.00 H new ATOM 252 N VAL A 18 79.416 7.291 -8.437 1.00 1.00 N ATOM 253 CA VAL A 18 79.892 5.986 -8.909 1.00 1.00 C ATOM 254 C VAL A 18 80.314 5.116 -7.732 1.00 1.00 C ATOM 255 O VAL A 18 79.813 4.001 -7.568 1.00 1.00 O ATOM 256 CB VAL A 18 81.041 6.118 -9.960 1.00 1.00 C ATOM 257 CG1 VAL A 18 80.754 7.307 -10.919 1.00 1.00 C ATOM 258 CG2 VAL A 18 82.450 6.287 -9.312 1.00 1.00 C ATOM 0 H VAL A 18 80.042 8.073 -8.627 1.00 1.00 H new ATOM 0 HA VAL A 18 79.061 5.499 -9.419 1.00 1.00 H new ATOM 0 HB VAL A 18 81.061 5.182 -10.519 1.00 1.00 H new ATOM 0 HG11 VAL A 18 81.561 7.390 -11.647 1.00 1.00 H new ATOM 0 HG12 VAL A 18 79.812 7.135 -11.439 1.00 1.00 H new ATOM 0 HG13 VAL A 18 80.688 8.231 -10.344 1.00 1.00 H new ATOM 0 HG21 VAL A 18 83.203 6.373 -10.096 1.00 1.00 H new ATOM 0 HG22 VAL A 18 82.462 7.187 -8.697 1.00 1.00 H new ATOM 0 HG23 VAL A 18 82.671 5.419 -8.690 1.00 1.00 H new ATOM 268 N GLY A 19 81.268 5.601 -6.952 1.00 1.00 N ATOM 269 CA GLY A 19 81.795 4.852 -5.842 1.00 1.00 C ATOM 270 C GLY A 19 80.729 4.529 -4.821 1.00 1.00 C ATOM 271 O GLY A 19 79.535 4.659 -5.085 1.00 1.00 O ATOM 0 H GLY A 19 81.691 6.521 -7.077 1.00 1.00 H new ATOM 0 HA2 GLY A 19 82.239 3.926 -6.208 1.00 1.00 H new ATOM 0 HA3 GLY A 19 82.593 5.422 -5.366 1.00 1.00 H new ATOM 275 N PRO A 20 81.127 4.065 -3.681 1.00 1.00 N ATOM 276 CA PRO A 20 80.180 3.677 -2.630 1.00 1.00 C ATOM 277 C PRO A 20 79.668 4.854 -1.798 1.00 1.00 C ATOM 278 O PRO A 20 78.606 4.747 -1.229 1.00 1.00 O ATOM 279 CB PRO A 20 80.982 2.670 -1.767 1.00 1.00 C ATOM 280 CG PRO A 20 82.400 2.685 -2.291 1.00 1.00 C ATOM 281 CD PRO A 20 82.514 3.871 -3.239 1.00 1.00 C ATOM 0 HA PRO A 20 79.269 3.254 -3.053 1.00 1.00 H new ATOM 0 HB2 PRO A 20 80.955 2.954 -0.715 1.00 1.00 H new ATOM 0 HB3 PRO A 20 80.553 1.671 -1.839 1.00 1.00 H new ATOM 0 HG2 PRO A 20 83.113 2.777 -1.471 1.00 1.00 H new ATOM 0 HG3 PRO A 20 82.629 1.754 -2.809 1.00 1.00 H new ATOM 0 HD2 PRO A 20 82.906 4.755 -2.736 1.00 1.00 H new ATOM 0 HD3 PRO A 20 83.180 3.658 -4.076 1.00 1.00 H new ATOM 289 N GLY A 21 80.433 5.950 -1.693 1.00 1.00 N ATOM 290 CA GLY A 21 79.987 7.051 -0.822 1.00 1.00 C ATOM 291 C GLY A 21 78.686 7.682 -1.294 1.00 1.00 C ATOM 292 O GLY A 21 77.706 7.711 -0.558 1.00 1.00 O ATOM 0 H GLY A 21 81.321 6.098 -2.173 1.00 1.00 H new ATOM 0 HA2 GLY A 21 79.857 6.676 0.193 1.00 1.00 H new ATOM 0 HA3 GLY A 21 80.763 7.815 -0.783 1.00 1.00 H new ATOM 296 N GLY A 22 78.666 8.219 -2.489 1.00 1.00 N ATOM 297 CA GLY A 22 77.424 8.849 -2.935 1.00 1.00 C ATOM 298 C GLY A 22 76.358 7.785 -2.854 1.00 1.00 C ATOM 299 O GLY A 22 75.319 7.964 -2.220 1.00 1.00 O ATOM 0 H GLY A 22 79.444 8.241 -3.148 1.00 1.00 H new ATOM 0 HA2 GLY A 22 77.172 9.701 -2.304 1.00 1.00 H new ATOM 0 HA3 GLY A 22 77.522 9.225 -3.954 1.00 1.00 H new ATOM 303 N VAL A 23 76.637 6.661 -3.480 1.00 1.00 N ATOM 304 CA VAL A 23 75.682 5.563 -3.428 1.00 1.00 C ATOM 305 C VAL A 23 75.416 5.227 -1.948 1.00 1.00 C ATOM 306 O VAL A 23 74.313 4.810 -1.596 1.00 1.00 O ATOM 307 CB VAL A 23 76.163 4.322 -4.193 1.00 1.00 C ATOM 308 CG1 VAL A 23 75.024 3.305 -4.261 1.00 1.00 C ATOM 309 CG2 VAL A 23 76.552 4.711 -5.621 1.00 1.00 C ATOM 0 H VAL A 23 77.486 6.481 -4.015 1.00 1.00 H new ATOM 0 HA VAL A 23 74.762 5.878 -3.921 1.00 1.00 H new ATOM 0 HB VAL A 23 77.025 3.896 -3.679 1.00 1.00 H new ATOM 0 HG11 VAL A 23 75.358 2.420 -4.803 1.00 1.00 H new ATOM 0 HG12 VAL A 23 74.729 3.022 -3.251 1.00 1.00 H new ATOM 0 HG13 VAL A 23 74.172 3.747 -4.778 1.00 1.00 H new ATOM 0 HG21 VAL A 23 76.893 3.826 -6.159 1.00 1.00 H new ATOM 0 HG22 VAL A 23 75.687 5.135 -6.131 1.00 1.00 H new ATOM 0 HG23 VAL A 23 77.354 5.449 -5.592 1.00 1.00 H new ATOM 319 N ALA A 24 76.441 5.406 -1.084 1.00 1.00 N ATOM 320 CA ALA A 24 76.229 5.085 0.334 1.00 1.00 C ATOM 321 C ALA A 24 75.109 5.947 0.904 1.00 1.00 C ATOM 322 O ALA A 24 74.099 5.419 1.358 1.00 1.00 O ATOM 323 CB ALA A 24 77.470 5.323 1.217 1.00 1.00 C ATOM 0 H ALA A 24 77.369 5.751 -1.329 1.00 1.00 H new ATOM 0 HA ALA A 24 75.986 4.023 0.355 1.00 1.00 H new ATOM 0 HB1 ALA A 24 77.237 5.064 2.250 1.00 1.00 H new ATOM 0 HB2 ALA A 24 78.293 4.701 0.864 1.00 1.00 H new ATOM 0 HB3 ALA A 24 77.759 6.372 1.163 1.00 1.00 H new ATOM 329 N LEU A 25 75.295 7.269 0.927 1.00 1.00 N ATOM 330 CA LEU A 25 74.283 8.144 1.517 1.00 1.00 C ATOM 331 C LEU A 25 72.962 8.047 0.779 1.00 1.00 C ATOM 332 O LEU A 25 71.905 7.978 1.403 1.00 1.00 O ATOM 333 CB LEU A 25 74.748 9.603 1.494 1.00 1.00 C ATOM 334 CG LEU A 25 75.938 9.806 2.439 1.00 1.00 C ATOM 335 CD1 LEU A 25 76.539 11.180 2.155 1.00 1.00 C ATOM 336 CD2 LEU A 25 75.487 9.728 3.915 1.00 1.00 C ATOM 0 H LEU A 25 76.115 7.746 0.554 1.00 1.00 H new ATOM 0 HA LEU A 25 74.141 7.814 2.546 1.00 1.00 H new ATOM 0 HB2 LEU A 25 75.030 9.884 0.479 1.00 1.00 H new ATOM 0 HB3 LEU A 25 73.927 10.257 1.789 1.00 1.00 H new ATOM 0 HG LEU A 25 76.676 9.021 2.272 1.00 1.00 H new ATOM 0 HD11 LEU A 25 77.389 11.349 2.816 1.00 1.00 H new ATOM 0 HD12 LEU A 25 76.871 11.225 1.118 1.00 1.00 H new ATOM 0 HD13 LEU A 25 75.786 11.949 2.328 1.00 1.00 H new ATOM 0 HD21 LEU A 25 76.348 9.875 4.567 1.00 1.00 H new ATOM 0 HD22 LEU A 25 74.747 10.504 4.111 1.00 1.00 H new ATOM 0 HD23 LEU A 25 75.047 8.750 4.110 1.00 1.00 H new ATOM 348 N VAL A 26 73.006 8.095 -0.542 1.00 1.00 N ATOM 349 CA VAL A 26 71.769 8.059 -1.295 1.00 1.00 C ATOM 350 C VAL A 26 71.010 6.780 -1.003 1.00 1.00 C ATOM 351 O VAL A 26 69.859 6.826 -0.568 1.00 1.00 O ATOM 352 CB VAL A 26 72.113 8.113 -2.779 1.00 1.00 C ATOM 353 CG1 VAL A 26 70.841 7.984 -3.612 1.00 1.00 C ATOM 354 CG2 VAL A 26 72.810 9.441 -3.080 1.00 1.00 C ATOM 0 H VAL A 26 73.858 8.157 -1.099 1.00 1.00 H new ATOM 0 HA VAL A 26 71.143 8.906 -1.013 1.00 1.00 H new ATOM 0 HB VAL A 26 72.778 7.288 -3.034 1.00 1.00 H new ATOM 0 HG11 VAL A 26 71.094 8.023 -4.671 1.00 1.00 H new ATOM 0 HG12 VAL A 26 70.356 7.034 -3.390 1.00 1.00 H new ATOM 0 HG13 VAL A 26 70.163 8.803 -3.370 1.00 1.00 H new ATOM 0 HG21 VAL A 26 73.060 9.489 -4.140 1.00 1.00 H new ATOM 0 HG22 VAL A 26 72.145 10.267 -2.827 1.00 1.00 H new ATOM 0 HG23 VAL A 26 73.722 9.515 -2.488 1.00 1.00 H new ATOM 364 N VAL A 27 71.624 5.640 -1.288 1.00 1.00 N ATOM 365 CA VAL A 27 70.949 4.369 -1.094 1.00 1.00 C ATOM 366 C VAL A 27 70.530 4.210 0.356 1.00 1.00 C ATOM 367 O VAL A 27 69.470 3.664 0.651 1.00 1.00 O ATOM 368 CB VAL A 27 71.867 3.206 -1.536 1.00 1.00 C ATOM 369 CG1 VAL A 27 72.820 2.793 -0.405 1.00 1.00 C ATOM 370 CG2 VAL A 27 71.014 1.998 -1.934 1.00 1.00 C ATOM 0 H VAL A 27 72.575 5.571 -1.649 1.00 1.00 H new ATOM 0 HA VAL A 27 70.050 4.348 -1.710 1.00 1.00 H new ATOM 0 HB VAL A 27 72.458 3.547 -2.386 1.00 1.00 H new ATOM 0 HG11 VAL A 27 73.453 1.973 -0.744 1.00 1.00 H new ATOM 0 HG12 VAL A 27 73.444 3.642 -0.126 1.00 1.00 H new ATOM 0 HG13 VAL A 27 72.240 2.470 0.459 1.00 1.00 H new ATOM 0 HG21 VAL A 27 71.664 1.180 -2.245 1.00 1.00 H new ATOM 0 HG22 VAL A 27 70.413 1.680 -1.082 1.00 1.00 H new ATOM 0 HG23 VAL A 27 70.357 2.273 -2.759 1.00 1.00 H new ATOM 380 N LYS A 28 71.374 4.691 1.251 1.00 1.00 N ATOM 381 CA LYS A 28 71.081 4.594 2.671 1.00 1.00 C ATOM 382 C LYS A 28 69.863 5.439 3.006 1.00 1.00 C ATOM 383 O LYS A 28 68.899 4.958 3.597 1.00 1.00 O ATOM 384 CB LYS A 28 72.294 5.087 3.454 1.00 1.00 C ATOM 385 CG LYS A 28 71.998 5.072 4.958 1.00 1.00 C ATOM 386 CD LYS A 28 73.298 5.379 5.754 1.00 1.00 C ATOM 387 CE LYS A 28 73.086 6.578 6.686 1.00 1.00 C ATOM 388 NZ LYS A 28 72.833 7.799 5.868 1.00 1.00 N ATOM 0 H LYS A 28 72.258 5.148 1.025 1.00 1.00 H new ATOM 0 HA LYS A 28 70.867 3.559 2.937 1.00 1.00 H new ATOM 0 HB2 LYS A 28 73.155 4.454 3.240 1.00 1.00 H new ATOM 0 HB3 LYS A 28 72.554 6.097 3.138 1.00 1.00 H new ATOM 0 HG2 LYS A 28 71.233 5.811 5.195 1.00 1.00 H new ATOM 0 HG3 LYS A 28 71.603 4.099 5.250 1.00 1.00 H new ATOM 0 HD2 LYS A 28 73.590 4.505 6.337 1.00 1.00 H new ATOM 0 HD3 LYS A 28 74.114 5.588 5.062 1.00 1.00 H new ATOM 0 HE2 LYS A 28 72.243 6.391 7.352 1.00 1.00 H new ATOM 0 HE3 LYS A 28 73.964 6.724 7.316 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 73.166 8.638 6.384 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 73.343 7.723 4.965 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 71.813 7.888 5.684 1.00 1.00 H new ATOM 402 N VAL A 29 69.949 6.712 2.668 1.00 1.00 N ATOM 403 CA VAL A 29 68.861 7.627 2.986 1.00 1.00 C ATOM 404 C VAL A 29 67.595 7.197 2.269 1.00 1.00 C ATOM 405 O VAL A 29 66.524 7.127 2.876 1.00 1.00 O ATOM 406 CB VAL A 29 69.207 9.073 2.611 1.00 1.00 C ATOM 407 CG1 VAL A 29 67.991 9.962 2.883 1.00 1.00 C ATOM 408 CG2 VAL A 29 70.375 9.559 3.473 1.00 1.00 C ATOM 0 H VAL A 29 70.742 7.133 2.183 1.00 1.00 H new ATOM 0 HA VAL A 29 68.702 7.591 4.064 1.00 1.00 H new ATOM 0 HB VAL A 29 69.482 9.121 1.557 1.00 1.00 H new ATOM 0 HG11 VAL A 29 68.228 10.993 2.619 1.00 1.00 H new ATOM 0 HG12 VAL A 29 67.148 9.618 2.284 1.00 1.00 H new ATOM 0 HG13 VAL A 29 67.730 9.909 3.940 1.00 1.00 H new ATOM 0 HG21 VAL A 29 70.621 10.587 3.206 1.00 1.00 H new ATOM 0 HG22 VAL A 29 70.094 9.514 4.525 1.00 1.00 H new ATOM 0 HG23 VAL A 29 71.243 8.922 3.302 1.00 1.00 H new ATOM 418 N CYS A 30 67.704 6.932 0.973 1.00 1.00 N ATOM 419 CA CYS A 30 66.537 6.542 0.219 1.00 1.00 C ATOM 420 C CYS A 30 66.021 5.202 0.708 1.00 1.00 C ATOM 421 O CYS A 30 64.873 5.094 1.140 1.00 1.00 O ATOM 422 CB CYS A 30 66.939 6.440 -1.254 1.00 1.00 C ATOM 423 SG CYS A 30 65.490 6.127 -2.292 1.00 1.00 S ATOM 0 H CYS A 30 68.571 6.980 0.439 1.00 1.00 H new ATOM 0 HA CYS A 30 65.744 7.279 0.347 1.00 1.00 H new ATOM 0 HB2 CYS A 30 67.425 7.364 -1.568 1.00 1.00 H new ATOM 0 HB3 CYS A 30 67.665 5.638 -1.383 1.00 1.00 H new ATOM 428 N ALA A 31 66.837 4.165 0.581 1.00 1.00 N ATOM 429 CA ALA A 31 66.409 2.828 0.953 1.00 1.00 C ATOM 430 C ALA A 31 65.969 2.803 2.394 1.00 1.00 C ATOM 431 O ALA A 31 64.906 2.275 2.721 1.00 1.00 O ATOM 432 CB ALA A 31 67.550 1.820 0.734 1.00 1.00 C ATOM 0 H ALA A 31 67.791 4.224 0.226 1.00 1.00 H new ATOM 0 HA ALA A 31 65.566 2.546 0.322 1.00 1.00 H new ATOM 0 HB1 ALA A 31 67.214 0.823 1.017 1.00 1.00 H new ATOM 0 HB2 ALA A 31 67.839 1.821 -0.317 1.00 1.00 H new ATOM 0 HB3 ALA A 31 68.407 2.102 1.346 1.00 1.00 H new ATOM 438 N GLY A 32 66.811 3.333 3.257 1.00 1.00 N ATOM 439 CA GLY A 32 66.513 3.328 4.669 1.00 1.00 C ATOM 440 C GLY A 32 66.722 1.933 5.211 1.00 1.00 C ATOM 441 O GLY A 32 65.765 1.229 5.510 1.00 1.00 O ATOM 0 H GLY A 32 67.699 3.768 3.006 1.00 1.00 H new ATOM 0 HA2 GLY A 32 67.156 4.035 5.192 1.00 1.00 H new ATOM 0 HA3 GLY A 32 65.485 3.647 4.838 1.00 1.00 H new ATOM 445 N LEU A 33 67.997 1.554 5.273 1.00 1.00 N ATOM 446 CA LEU A 33 68.435 0.236 5.729 1.00 1.00 C ATOM 447 C LEU A 33 68.549 -0.704 4.532 1.00 1.00 C ATOM 448 O LEU A 33 67.627 -1.463 4.241 1.00 1.00 O ATOM 449 CB LEU A 33 67.496 -0.371 6.793 1.00 1.00 C ATOM 450 CG LEU A 33 67.319 0.627 7.969 1.00 1.00 C ATOM 451 CD1 LEU A 33 65.926 0.483 8.589 1.00 1.00 C ATOM 452 CD2 LEU A 33 68.383 0.356 9.041 1.00 1.00 C ATOM 0 H LEU A 33 68.768 2.165 5.003 1.00 1.00 H new ATOM 0 HA LEU A 33 69.408 0.362 6.204 1.00 1.00 H new ATOM 0 HB2 LEU A 33 66.527 -0.599 6.349 1.00 1.00 H new ATOM 0 HB3 LEU A 33 67.907 -1.311 7.161 1.00 1.00 H new ATOM 0 HG LEU A 33 67.432 1.641 7.585 1.00 1.00 H new ATOM 0 HD11 LEU A 33 65.819 1.190 9.412 1.00 1.00 H new ATOM 0 HD12 LEU A 33 65.168 0.689 7.833 1.00 1.00 H new ATOM 0 HD13 LEU A 33 65.798 -0.532 8.964 1.00 1.00 H new ATOM 0 HD21 LEU A 33 68.256 1.058 9.865 1.00 1.00 H new ATOM 0 HD22 LEU A 33 68.274 -0.663 9.412 1.00 1.00 H new ATOM 0 HD23 LEU A 33 69.376 0.480 8.608 1.00 1.00 H new ATOM 464 N PRO A 34 69.653 -0.653 3.825 1.00 1.00 N ATOM 465 CA PRO A 34 69.876 -1.510 2.626 1.00 1.00 C ATOM 466 C PRO A 34 69.596 -3.002 2.876 1.00 1.00 C ATOM 467 O PRO A 34 69.262 -3.724 1.937 1.00 1.00 O ATOM 468 CB PRO A 34 71.358 -1.278 2.274 1.00 1.00 C ATOM 469 CG PRO A 34 71.697 0.062 2.848 1.00 1.00 C ATOM 470 CD PRO A 34 70.807 0.238 4.082 1.00 1.00 C ATOM 0 HA PRO A 34 69.190 -1.244 1.822 1.00 1.00 H new ATOM 0 HB2 PRO A 34 71.990 -2.058 2.698 1.00 1.00 H new ATOM 0 HB3 PRO A 34 71.513 -1.294 1.195 1.00 1.00 H new ATOM 0 HG2 PRO A 34 72.752 0.114 3.119 1.00 1.00 H new ATOM 0 HG3 PRO A 34 71.515 0.854 2.121 1.00 1.00 H new ATOM 0 HD2 PRO A 34 71.332 -0.043 4.995 1.00 1.00 H new ATOM 0 HD3 PRO A 34 70.492 1.274 4.201 1.00 1.00 H new ATOM 478 N GLY A 35 69.773 -3.481 4.116 1.00 1.00 N ATOM 479 CA GLY A 35 69.549 -4.915 4.349 1.00 1.00 C ATOM 480 C GLY A 35 68.092 -5.269 4.053 1.00 1.00 C ATOM 481 O GLY A 35 67.822 -6.061 3.151 1.00 1.00 O ATOM 0 H GLY A 35 70.054 -2.934 4.930 1.00 1.00 H new ATOM 0 HA2 GLY A 35 70.211 -5.503 3.714 1.00 1.00 H new ATOM 0 HA3 GLY A 35 69.791 -5.167 5.382 1.00 1.00 H new ATOM 485 N VAL A 36 67.143 -4.670 4.778 1.00 1.00 N ATOM 486 CA VAL A 36 65.723 -4.941 4.519 1.00 1.00 C ATOM 487 C VAL A 36 65.267 -4.000 3.434 1.00 1.00 C ATOM 488 O VAL A 36 65.996 -3.063 3.153 1.00 1.00 O ATOM 489 CB VAL A 36 64.875 -4.735 5.777 1.00 1.00 C ATOM 490 CG1 VAL A 36 64.985 -3.277 6.224 1.00 1.00 C ATOM 491 CG2 VAL A 36 63.405 -5.070 5.469 1.00 1.00 C ATOM 0 H VAL A 36 67.324 -4.008 5.533 1.00 1.00 H new ATOM 0 HA VAL A 36 65.601 -5.980 4.213 1.00 1.00 H new ATOM 0 HB VAL A 36 65.234 -5.390 6.571 1.00 1.00 H new ATOM 0 HG11 VAL A 36 64.383 -3.125 7.120 1.00 1.00 H new ATOM 0 HG12 VAL A 36 66.026 -3.041 6.442 1.00 1.00 H new ATOM 0 HG13 VAL A 36 64.624 -2.624 5.429 1.00 1.00 H new ATOM 0 HG21 VAL A 36 62.803 -4.923 6.366 1.00 1.00 H new ATOM 0 HG22 VAL A 36 63.041 -4.416 4.676 1.00 1.00 H new ATOM 0 HG23 VAL A 36 63.328 -6.108 5.147 1.00 1.00 H new ATOM 501 N ILE A 37 64.069 -4.262 2.859 1.00 1.00 N ATOM 502 CA ILE A 37 63.470 -3.435 1.782 1.00 1.00 C ATOM 503 C ILE A 37 63.340 -4.247 0.487 1.00 1.00 C ATOM 504 O ILE A 37 64.324 -4.532 -0.194 1.00 1.00 O ATOM 505 CB ILE A 37 64.278 -2.140 1.516 1.00 1.00 C ATOM 506 CG1 ILE A 37 63.428 -1.134 0.738 1.00 1.00 C ATOM 507 CG2 ILE A 37 65.555 -2.445 0.697 1.00 1.00 C ATOM 508 CD1 ILE A 37 64.282 0.113 0.457 1.00 1.00 C ATOM 0 H ILE A 37 63.488 -5.056 3.130 1.00 1.00 H new ATOM 0 HA ILE A 37 62.478 -3.139 2.124 1.00 1.00 H new ATOM 0 HB ILE A 37 64.559 -1.721 2.482 1.00 1.00 H new ATOM 0 HG12 ILE A 37 63.081 -1.574 -0.197 1.00 1.00 H new ATOM 0 HG13 ILE A 37 62.541 -0.864 1.311 1.00 1.00 H new ATOM 0 HG21 ILE A 37 66.105 -1.520 0.523 1.00 1.00 H new ATOM 0 HG22 ILE A 37 66.184 -3.143 1.250 1.00 1.00 H new ATOM 0 HG23 ILE A 37 65.277 -2.887 -0.260 1.00 1.00 H new ATOM 0 HD11 ILE A 37 63.691 0.841 -0.098 1.00 1.00 H new ATOM 0 HD12 ILE A 37 64.607 0.552 1.400 1.00 1.00 H new ATOM 0 HD13 ILE A 37 65.155 -0.169 -0.131 1.00 1.00 H new ATOM 520 N HIS A 38 62.113 -4.618 0.139 1.00 1.00 N ATOM 521 CA HIS A 38 61.872 -5.380 -1.087 1.00 1.00 C ATOM 522 C HIS A 38 60.600 -4.881 -1.763 1.00 1.00 C ATOM 523 O HIS A 38 59.584 -4.655 -1.101 1.00 1.00 O ATOM 524 CB HIS A 38 61.749 -6.871 -0.766 1.00 1.00 C ATOM 525 CG HIS A 38 63.086 -7.379 -0.312 1.00 1.00 C ATOM 526 ND1 HIS A 38 63.629 -7.024 0.911 1.00 1.00 N ATOM 527 CD2 HIS A 38 64.011 -8.200 -0.911 1.00 1.00 C ATOM 528 CE1 HIS A 38 64.830 -7.622 1.011 1.00 1.00 C ATOM 529 NE2 HIS A 38 65.112 -8.351 -0.072 1.00 1.00 N ATOM 0 H HIS A 38 61.275 -4.407 0.681 1.00 1.00 H new ATOM 0 HA HIS A 38 62.714 -5.238 -1.765 1.00 1.00 H new ATOM 0 HB2 HIS A 38 61.001 -7.029 0.011 1.00 1.00 H new ATOM 0 HB3 HIS A 38 61.415 -7.420 -1.646 1.00 1.00 H new ATOM 0 HD2 HIS A 38 63.901 -8.658 -1.883 1.00 1.00 H new ATOM 0 HE1 HIS A 38 65.486 -7.524 1.863 1.00 1.00 H new ATOM 0 HE2 HIS A 38 65.953 -8.900 -0.247 1.00 1.00 H new ATOM 537 N THR A 39 60.655 -4.703 -3.086 1.00 1.00 N ATOM 538 CA THR A 39 59.495 -4.219 -3.833 1.00 1.00 C ATOM 539 C THR A 39 58.869 -5.362 -4.642 1.00 1.00 C ATOM 540 O THR A 39 59.583 -6.079 -5.342 1.00 1.00 O ATOM 541 CB THR A 39 59.917 -3.099 -4.786 1.00 1.00 C ATOM 542 OG1 THR A 39 60.790 -2.205 -4.108 1.00 1.00 O ATOM 543 CG2 THR A 39 58.670 -2.348 -5.256 1.00 1.00 C ATOM 0 H THR A 39 61.482 -4.885 -3.655 1.00 1.00 H new ATOM 0 HA THR A 39 58.761 -3.837 -3.123 1.00 1.00 H new ATOM 0 HB THR A 39 60.435 -3.520 -5.647 1.00 1.00 H new ATOM 0 HG1 THR A 39 61.062 -1.488 -4.718 1.00 1.00 H new ATOM 0 HG21 THR A 39 58.962 -1.548 -5.936 1.00 1.00 H new ATOM 0 HG22 THR A 39 58.003 -3.038 -5.773 1.00 1.00 H new ATOM 0 HG23 THR A 39 58.155 -1.922 -4.395 1.00 1.00 H new ATOM 551 N PRO A 40 57.568 -5.565 -4.574 1.00 1.00 N ATOM 552 CA PRO A 40 56.918 -6.670 -5.339 1.00 1.00 C ATOM 553 C PRO A 40 57.002 -6.469 -6.852 1.00 1.00 C ATOM 554 O PRO A 40 56.965 -7.436 -7.610 1.00 1.00 O ATOM 555 CB PRO A 40 55.448 -6.630 -4.870 1.00 1.00 C ATOM 556 CG PRO A 40 55.237 -5.240 -4.364 1.00 1.00 C ATOM 557 CD PRO A 40 56.575 -4.795 -3.787 1.00 1.00 C ATOM 0 HA PRO A 40 57.410 -7.625 -5.154 1.00 1.00 H new ATOM 0 HB2 PRO A 40 54.767 -6.859 -5.690 1.00 1.00 H new ATOM 0 HB3 PRO A 40 55.264 -7.366 -4.088 1.00 1.00 H new ATOM 0 HG2 PRO A 40 54.919 -4.576 -5.168 1.00 1.00 H new ATOM 0 HG3 PRO A 40 54.457 -5.216 -3.603 1.00 1.00 H new ATOM 0 HD2 PRO A 40 56.722 -3.721 -3.898 1.00 1.00 H new ATOM 0 HD3 PRO A 40 56.647 -5.019 -2.723 1.00 1.00 H new ATOM 565 N ALA A 41 57.152 -5.216 -7.285 1.00 1.00 N ATOM 566 CA ALA A 41 57.292 -4.896 -8.709 1.00 1.00 C ATOM 567 C ALA A 41 58.518 -4.020 -8.938 1.00 1.00 C ATOM 568 O ALA A 41 58.729 -3.057 -8.202 1.00 1.00 O ATOM 569 CB ALA A 41 56.038 -4.189 -9.224 1.00 1.00 C ATOM 0 H ALA A 41 57.180 -4.403 -6.669 1.00 1.00 H new ATOM 0 HA ALA A 41 57.419 -5.828 -9.260 1.00 1.00 H new ATOM 0 HB1 ALA A 41 56.159 -3.959 -10.283 1.00 1.00 H new ATOM 0 HB2 ALA A 41 55.173 -4.839 -9.090 1.00 1.00 H new ATOM 0 HB3 ALA A 41 55.887 -3.265 -8.667 1.00 1.00 H new ATOM 575 N ARG A 42 59.303 -4.315 -9.960 1.00 1.00 N ATOM 576 CA ARG A 42 60.470 -3.491 -10.250 1.00 1.00 C ATOM 577 C ARG A 42 61.094 -3.882 -11.578 1.00 1.00 C ATOM 578 O ARG A 42 60.711 -4.881 -12.186 1.00 1.00 O ATOM 579 CB ARG A 42 61.506 -3.641 -9.141 1.00 1.00 C ATOM 580 CG ARG A 42 61.880 -5.114 -9.001 1.00 1.00 C ATOM 581 CD ARG A 42 62.741 -5.296 -7.755 1.00 1.00 C ATOM 582 NE ARG A 42 63.776 -4.273 -7.710 1.00 1.00 N ATOM 583 CZ ARG A 42 64.484 -4.069 -6.606 1.00 1.00 C ATOM 584 NH1 ARG A 42 64.273 -4.813 -5.554 1.00 1.00 N ATOM 585 NH2 ARG A 42 65.387 -3.130 -6.573 1.00 1.00 N ATOM 0 H ARG A 42 59.161 -5.102 -10.593 1.00 1.00 H new ATOM 0 HA ARG A 42 60.143 -2.453 -10.308 1.00 1.00 H new ATOM 0 HB2 ARG A 42 62.392 -3.049 -9.371 1.00 1.00 H new ATOM 0 HB3 ARG A 42 61.106 -3.264 -8.200 1.00 1.00 H new ATOM 0 HG2 ARG A 42 60.980 -5.725 -8.928 1.00 1.00 H new ATOM 0 HG3 ARG A 42 62.423 -5.450 -9.885 1.00 1.00 H new ATOM 0 HD2 ARG A 42 62.119 -5.235 -6.862 1.00 1.00 H new ATOM 0 HD3 ARG A 42 63.197 -6.286 -7.760 1.00 1.00 H new ATOM 0 HE ARG A 42 63.959 -3.706 -8.538 1.00 1.00 H new ATOM 0 HH11 ARG A 42 63.566 -5.548 -5.583 1.00 1.00 H new ATOM 0 HH12 ARG A 42 64.815 -4.659 -4.704 1.00 1.00 H new ATOM 0 HH21 ARG A 42 65.551 -2.551 -7.396 1.00 1.00 H new ATOM 0 HH22 ARG A 42 65.930 -2.974 -5.724 1.00 1.00 H new ATOM 599 N ARG A 43 62.064 -3.095 -12.024 1.00 1.00 N ATOM 600 CA ARG A 43 62.733 -3.399 -13.282 1.00 1.00 C ATOM 601 C ARG A 43 63.473 -4.756 -13.169 1.00 1.00 C ATOM 602 O ARG A 43 64.417 -5.035 -13.902 1.00 1.00 O ATOM 603 CB ARG A 43 63.702 -2.252 -13.668 1.00 1.00 C ATOM 604 CG ARG A 43 64.485 -2.548 -14.977 1.00 1.00 C ATOM 605 CD ARG A 43 63.556 -3.083 -16.084 1.00 1.00 C ATOM 606 NE ARG A 43 64.317 -3.363 -17.303 1.00 1.00 N ATOM 607 CZ ARG A 43 64.774 -4.592 -17.576 1.00 1.00 C ATOM 608 NH1 ARG A 43 64.595 -5.567 -16.723 1.00 1.00 N ATOM 609 NH2 ARG A 43 65.408 -4.819 -18.695 1.00 1.00 N ATOM 0 H ARG A 43 62.400 -2.259 -11.546 1.00 1.00 H new ATOM 0 HA ARG A 43 61.990 -3.483 -14.075 1.00 1.00 H new ATOM 0 HB2 ARG A 43 63.136 -1.328 -13.788 1.00 1.00 H new ATOM 0 HB3 ARG A 43 64.409 -2.089 -12.855 1.00 1.00 H new ATOM 0 HG2 ARG A 43 64.976 -1.638 -15.322 1.00 1.00 H new ATOM 0 HG3 ARG A 43 65.270 -3.277 -14.776 1.00 1.00 H new ATOM 0 HD2 ARG A 43 63.059 -3.991 -15.742 1.00 1.00 H new ATOM 0 HD3 ARG A 43 62.775 -2.353 -16.296 1.00 1.00 H new ATOM 0 HE ARG A 43 64.503 -2.605 -17.959 1.00 1.00 H new ATOM 0 HH11 ARG A 43 64.105 -5.393 -15.845 1.00 1.00 H new ATOM 0 HH12 ARG A 43 64.945 -6.501 -16.936 1.00 1.00 H new ATOM 0 HH21 ARG A 43 65.555 -4.060 -19.361 1.00 1.00 H new ATOM 0 HH22 ARG A 43 65.756 -5.755 -18.903 1.00 1.00 H new ATOM 623 N GLY A 44 63.014 -5.616 -12.252 1.00 1.00 N ATOM 624 CA GLY A 44 63.617 -6.936 -12.055 1.00 1.00 C ATOM 625 C GLY A 44 64.921 -6.817 -11.275 1.00 1.00 C ATOM 626 O GLY A 44 65.345 -7.744 -10.581 1.00 1.00 O ATOM 0 H GLY A 44 62.226 -5.419 -11.635 1.00 1.00 H new ATOM 0 HA2 GLY A 44 62.923 -7.583 -11.518 1.00 1.00 H new ATOM 0 HA3 GLY A 44 63.806 -7.404 -13.021 1.00 1.00 H new ATOM 630 N PHE A 45 65.533 -5.652 -11.410 1.00 1.00 N ATOM 631 CA PHE A 45 66.791 -5.349 -10.739 1.00 1.00 C ATOM 632 C PHE A 45 67.169 -3.904 -11.003 1.00 1.00 C ATOM 633 O PHE A 45 66.375 -3.164 -11.573 1.00 1.00 O ATOM 634 CB PHE A 45 67.915 -6.276 -11.254 1.00 1.00 C ATOM 635 CG PHE A 45 68.478 -5.768 -12.577 1.00 1.00 C ATOM 636 CD1 PHE A 45 67.791 -5.998 -13.777 1.00 1.00 C ATOM 637 CD2 PHE A 45 69.688 -5.055 -12.595 1.00 1.00 C ATOM 638 CE1 PHE A 45 68.312 -5.517 -14.988 1.00 1.00 C ATOM 639 CE2 PHE A 45 70.208 -4.578 -13.807 1.00 1.00 C ATOM 640 CZ PHE A 45 69.518 -4.808 -15.002 1.00 1.00 C ATOM 0 H PHE A 45 65.175 -4.890 -11.986 1.00 1.00 H new ATOM 0 HA PHE A 45 66.665 -5.509 -9.668 1.00 1.00 H new ATOM 0 HB2 PHE A 45 68.712 -6.333 -10.513 1.00 1.00 H new ATOM 0 HB3 PHE A 45 67.527 -7.286 -11.384 1.00 1.00 H new ATOM 0 HD1 PHE A 45 66.860 -6.546 -13.770 1.00 1.00 H new ATOM 0 HD2 PHE A 45 70.220 -4.874 -11.673 1.00 1.00 H new ATOM 0 HE1 PHE A 45 67.781 -5.695 -15.911 1.00 1.00 H new ATOM 0 HE2 PHE A 45 71.141 -4.033 -13.818 1.00 1.00 H new ATOM 0 HZ PHE A 45 69.916 -4.438 -15.935 1.00 1.00 H new ATOM 650 N PHE A 46 68.375 -3.540 -10.537 1.00 1.00 N ATOM 651 CA PHE A 46 68.953 -2.185 -10.672 1.00 1.00 C ATOM 652 C PHE A 46 69.016 -1.510 -9.305 1.00 1.00 C ATOM 653 O PHE A 46 67.986 -1.118 -8.769 1.00 1.00 O ATOM 654 CB PHE A 46 68.146 -1.295 -11.663 1.00 1.00 C ATOM 655 CG PHE A 46 69.025 -0.246 -12.347 1.00 1.00 C ATOM 656 CD1 PHE A 46 69.834 0.639 -11.608 1.00 1.00 C ATOM 657 CD2 PHE A 46 69.007 -0.151 -13.754 1.00 1.00 C ATOM 658 CE1 PHE A 46 70.613 1.603 -12.276 1.00 1.00 C ATOM 659 CE2 PHE A 46 69.781 0.813 -14.410 1.00 1.00 C ATOM 660 CZ PHE A 46 70.582 1.689 -13.674 1.00 1.00 C ATOM 0 H PHE A 46 68.990 -4.189 -10.046 1.00 1.00 H new ATOM 0 HA PHE A 46 69.958 -2.298 -11.078 1.00 1.00 H new ATOM 0 HB2 PHE A 46 67.682 -1.927 -12.420 1.00 1.00 H new ATOM 0 HB3 PHE A 46 67.339 -0.796 -11.126 1.00 1.00 H new ATOM 0 HD1 PHE A 46 69.857 0.578 -10.530 1.00 1.00 H new ATOM 0 HD2 PHE A 46 68.392 -0.827 -14.329 1.00 1.00 H new ATOM 0 HE1 PHE A 46 71.236 2.278 -11.709 1.00 1.00 H new ATOM 0 HE2 PHE A 46 69.759 0.880 -15.488 1.00 1.00 H new ATOM 0 HZ PHE A 46 71.178 2.433 -14.183 1.00 1.00 H new ATOM 670 N ARG A 47 70.239 -1.388 -8.761 1.00 1.00 N ATOM 671 CA ARG A 47 70.480 -0.757 -7.453 1.00 1.00 C ATOM 672 C ARG A 47 70.599 -1.802 -6.360 1.00 1.00 C ATOM 673 O ARG A 47 70.095 -2.916 -6.492 1.00 1.00 O ATOM 674 CB ARG A 47 69.380 0.256 -7.099 1.00 1.00 C ATOM 675 CG ARG A 47 69.862 1.200 -5.982 1.00 1.00 C ATOM 676 CD ARG A 47 68.997 2.461 -5.979 1.00 1.00 C ATOM 677 NE ARG A 47 69.003 3.065 -7.312 1.00 1.00 N ATOM 678 CZ ARG A 47 70.097 3.646 -7.784 1.00 1.00 C ATOM 679 NH1 ARG A 47 71.163 3.708 -7.042 1.00 1.00 N ATOM 680 NH2 ARG A 47 70.104 4.159 -8.986 1.00 1.00 N ATOM 0 H ARG A 47 71.088 -1.724 -9.216 1.00 1.00 H new ATOM 0 HA ARG A 47 71.424 -0.217 -7.527 1.00 1.00 H new ATOM 0 HB2 ARG A 47 69.111 0.835 -7.983 1.00 1.00 H new ATOM 0 HB3 ARG A 47 68.481 -0.270 -6.777 1.00 1.00 H new ATOM 0 HG2 ARG A 47 69.800 0.700 -5.015 1.00 1.00 H new ATOM 0 HG3 ARG A 47 70.908 1.463 -6.138 1.00 1.00 H new ATOM 0 HD2 ARG A 47 67.977 2.213 -5.686 1.00 1.00 H new ATOM 0 HD3 ARG A 47 69.376 3.172 -5.245 1.00 1.00 H new ATOM 0 HE ARG A 47 68.158 3.039 -7.883 1.00 1.00 H new ATOM 0 HH11 ARG A 47 71.154 3.311 -6.103 1.00 1.00 H new ATOM 0 HH12 ARG A 47 72.008 4.154 -7.399 1.00 1.00 H new ATOM 0 HH21 ARG A 47 69.265 4.113 -9.565 1.00 1.00 H new ATOM 0 HH22 ARG A 47 70.948 4.605 -9.345 1.00 1.00 H new ATOM 694 N CYS A 48 71.314 -1.448 -5.298 1.00 1.00 N ATOM 695 CA CYS A 48 71.539 -2.386 -4.209 1.00 1.00 C ATOM 696 C CYS A 48 72.423 -3.515 -4.729 1.00 1.00 C ATOM 697 O CYS A 48 71.938 -4.548 -5.190 1.00 1.00 O ATOM 698 CB CYS A 48 70.201 -2.934 -3.704 1.00 1.00 C ATOM 699 SG CYS A 48 70.388 -3.502 -1.995 1.00 1.00 S ATOM 0 H CYS A 48 71.742 -0.531 -5.170 1.00 1.00 H new ATOM 0 HA CYS A 48 72.032 -1.888 -3.374 1.00 1.00 H new ATOM 0 HB2 CYS A 48 69.435 -2.161 -3.760 1.00 1.00 H new ATOM 0 HB3 CYS A 48 69.870 -3.757 -4.338 1.00 1.00 H new ATOM 704 N ASN A 49 73.733 -3.297 -4.665 1.00 1.00 N ATOM 705 CA ASN A 49 74.693 -4.296 -5.145 1.00 1.00 C ATOM 706 C ASN A 49 76.035 -4.176 -4.414 1.00 1.00 C ATOM 707 O ASN A 49 76.349 -3.130 -3.853 1.00 1.00 O ATOM 708 CB ASN A 49 74.873 -4.162 -6.682 1.00 1.00 C ATOM 709 CG ASN A 49 73.987 -3.045 -7.231 1.00 1.00 C ATOM 710 OD1 ASN A 49 72.752 -3.313 -7.561 1.00 1.00 O flip ATOM 711 ND2 ASN A 49 74.428 -1.904 -7.362 1.00 1.00 N flip ATOM 0 H ASN A 49 74.155 -2.447 -4.290 1.00 1.00 H new ATOM 0 HA ASN A 49 74.298 -5.288 -4.928 1.00 1.00 H new ATOM 0 HB2 ASN A 49 75.917 -3.953 -6.915 1.00 1.00 H new ATOM 0 HB3 ASN A 49 74.621 -5.105 -7.167 1.00 1.00 H new ATOM 0 HD21 ASN A 49 75.393 -1.697 -7.104 1.00 1.00 H new ATOM 0 HD22 ASN A 49 73.829 -1.165 -7.729 1.00 1.00 H new ATOM 718 N PRO A 50 76.842 -5.209 -4.445 1.00 1.00 N ATOM 719 CA PRO A 50 78.191 -5.193 -3.808 1.00 1.00 C ATOM 720 C PRO A 50 79.107 -4.149 -4.462 1.00 1.00 C ATOM 721 O PRO A 50 80.169 -4.482 -4.982 1.00 1.00 O ATOM 722 CB PRO A 50 78.717 -6.633 -4.026 1.00 1.00 C ATOM 723 CG PRO A 50 77.924 -7.165 -5.177 1.00 1.00 C ATOM 724 CD PRO A 50 76.555 -6.505 -5.080 1.00 1.00 C ATOM 0 HA PRO A 50 78.157 -4.917 -2.754 1.00 1.00 H new ATOM 0 HB2 PRO A 50 79.784 -6.634 -4.248 1.00 1.00 H new ATOM 0 HB3 PRO A 50 78.576 -7.244 -3.134 1.00 1.00 H new ATOM 0 HG2 PRO A 50 78.406 -6.928 -6.126 1.00 1.00 H new ATOM 0 HG3 PRO A 50 77.839 -8.250 -5.125 1.00 1.00 H new ATOM 0 HD2 PRO A 50 76.100 -6.378 -6.062 1.00 1.00 H new ATOM 0 HD3 PRO A 50 75.864 -7.100 -4.483 1.00 1.00 H new ATOM 732 N GLU A 51 78.707 -2.878 -4.398 1.00 1.00 N ATOM 733 CA GLU A 51 79.510 -1.791 -4.951 1.00 1.00 C ATOM 734 C GLU A 51 80.109 -2.170 -6.307 1.00 1.00 C ATOM 735 O GLU A 51 81.253 -1.822 -6.609 1.00 1.00 O ATOM 736 CB GLU A 51 80.627 -1.453 -3.966 1.00 1.00 C ATOM 737 CG GLU A 51 80.029 -1.161 -2.583 1.00 1.00 C ATOM 738 CD GLU A 51 81.142 -1.120 -1.537 1.00 1.00 C ATOM 739 OE1 GLU A 51 81.959 -2.026 -1.540 1.00 1.00 O ATOM 740 OE2 GLU A 51 81.156 -0.201 -0.736 1.00 1.00 O ATOM 0 H GLU A 51 77.832 -2.578 -3.968 1.00 1.00 H new ATOM 0 HA GLU A 51 78.866 -0.925 -5.105 1.00 1.00 H new ATOM 0 HB2 GLU A 51 81.330 -2.283 -3.900 1.00 1.00 H new ATOM 0 HB3 GLU A 51 81.187 -0.588 -4.320 1.00 1.00 H new ATOM 0 HG2 GLU A 51 79.498 -0.209 -2.600 1.00 1.00 H new ATOM 0 HG3 GLU A 51 79.300 -1.928 -2.322 1.00 1.00 H new ATOM 747 N ARG A 52 79.340 -2.896 -7.111 1.00 1.00 N ATOM 748 CA ARG A 52 79.804 -3.339 -8.427 1.00 1.00 C ATOM 749 C ARG A 52 78.657 -3.396 -9.443 1.00 1.00 C ATOM 750 O ARG A 52 77.483 -3.371 -9.076 1.00 1.00 O ATOM 751 CB ARG A 52 80.410 -4.738 -8.300 1.00 1.00 C ATOM 752 CG ARG A 52 81.777 -4.671 -7.630 1.00 1.00 C ATOM 753 CD ARG A 52 82.266 -6.097 -7.422 1.00 1.00 C ATOM 754 NE ARG A 52 83.624 -6.098 -6.905 1.00 1.00 N ATOM 755 CZ ARG A 52 83.917 -6.366 -5.635 1.00 1.00 C ATOM 756 NH1 ARG A 52 82.986 -6.656 -4.765 1.00 1.00 N ATOM 757 NH2 ARG A 52 85.160 -6.345 -5.267 1.00 1.00 N ATOM 0 H ARG A 52 78.392 -3.192 -6.877 1.00 1.00 H new ATOM 0 HA ARG A 52 80.544 -2.621 -8.780 1.00 1.00 H new ATOM 0 HB2 ARG A 52 79.745 -5.377 -7.719 1.00 1.00 H new ATOM 0 HB3 ARG A 52 80.505 -5.190 -9.287 1.00 1.00 H new ATOM 0 HG2 ARG A 52 82.479 -4.114 -8.250 1.00 1.00 H new ATOM 0 HG3 ARG A 52 81.709 -4.148 -6.676 1.00 1.00 H new ATOM 0 HD2 ARG A 52 81.606 -6.617 -6.728 1.00 1.00 H new ATOM 0 HD3 ARG A 52 82.229 -6.642 -8.365 1.00 1.00 H new ATOM 0 HE ARG A 52 84.388 -5.883 -7.545 1.00 1.00 H new ATOM 0 HH11 ARG A 52 82.008 -6.681 -5.054 1.00 1.00 H new ATOM 0 HH12 ARG A 52 83.237 -6.858 -3.797 1.00 1.00 H new ATOM 0 HH21 ARG A 52 85.889 -6.126 -5.946 1.00 1.00 H new ATOM 0 HH22 ARG A 52 85.409 -6.547 -4.299 1.00 1.00 H new ATOM 771 N ILE A 53 79.023 -3.541 -10.716 1.00 1.00 N ATOM 772 CA ILE A 53 78.041 -3.679 -11.795 1.00 1.00 C ATOM 773 C ILE A 53 77.485 -5.096 -11.749 1.00 1.00 C ATOM 774 O ILE A 53 78.092 -5.964 -11.118 1.00 1.00 O ATOM 775 CB ILE A 53 78.680 -3.407 -13.164 1.00 1.00 C ATOM 776 CG1 ILE A 53 77.583 -3.377 -14.238 1.00 1.00 C ATOM 777 CG2 ILE A 53 79.687 -4.511 -13.492 1.00 1.00 C ATOM 778 CD1 ILE A 53 78.153 -2.851 -15.556 1.00 1.00 C ATOM 0 H ILE A 53 79.994 -3.566 -11.027 1.00 1.00 H new ATOM 0 HA ILE A 53 77.243 -2.950 -11.656 1.00 1.00 H new ATOM 0 HB ILE A 53 79.196 -2.447 -13.140 1.00 1.00 H new ATOM 0 HG12 ILE A 53 77.177 -4.378 -14.382 1.00 1.00 H new ATOM 0 HG13 ILE A 53 76.759 -2.743 -13.910 1.00 1.00 H new ATOM 0 HG21 ILE A 53 80.138 -4.314 -14.464 1.00 1.00 H new ATOM 0 HG22 ILE A 53 80.465 -4.533 -12.729 1.00 1.00 H new ATOM 0 HG23 ILE A 53 79.176 -5.474 -13.517 1.00 1.00 H new ATOM 0 HD11 ILE A 53 77.367 -2.834 -16.311 1.00 1.00 H new ATOM 0 HD12 ILE A 53 78.537 -1.842 -15.409 1.00 1.00 H new ATOM 0 HD13 ILE A 53 78.961 -3.502 -15.889 1.00 1.00 H new ATOM 790 N GLN A 54 76.357 -5.359 -12.418 1.00 1.00 N ATOM 791 CA GLN A 54 75.772 -6.695 -12.440 1.00 1.00 C ATOM 792 C GLN A 54 75.409 -7.054 -13.888 1.00 1.00 C ATOM 793 O GLN A 54 74.757 -6.270 -14.579 1.00 1.00 O ATOM 794 CB GLN A 54 74.516 -6.708 -11.569 1.00 1.00 C ATOM 795 CG GLN A 54 74.095 -8.149 -11.302 1.00 1.00 C ATOM 796 CD GLN A 54 72.861 -8.155 -10.412 1.00 1.00 C ATOM 797 OE1 GLN A 54 72.267 -7.104 -10.175 1.00 1.00 O ATOM 798 NE2 GLN A 54 72.444 -9.273 -9.892 1.00 1.00 N ATOM 0 H GLN A 54 75.835 -4.662 -12.949 1.00 1.00 H new ATOM 0 HA GLN A 54 76.483 -7.424 -12.052 1.00 1.00 H new ATOM 0 HB2 GLN A 54 74.709 -6.194 -10.627 1.00 1.00 H new ATOM 0 HB3 GLN A 54 73.710 -6.169 -12.067 1.00 1.00 H new ATOM 0 HG2 GLN A 54 73.882 -8.658 -12.242 1.00 1.00 H new ATOM 0 HG3 GLN A 54 74.907 -8.694 -10.821 1.00 1.00 H new ATOM 0 HE21 GLN A 54 72.938 -10.143 -10.090 1.00 1.00 H new ATOM 0 HE22 GLN A 54 71.623 -9.279 -9.287 1.00 1.00 H new ATOM 807 N ILE A 55 75.811 -8.246 -14.335 1.00 1.00 N ATOM 808 CA ILE A 55 75.493 -8.698 -15.701 1.00 1.00 C ATOM 809 C ILE A 55 75.213 -10.197 -15.707 1.00 1.00 C ATOM 810 O ILE A 55 75.706 -10.915 -14.833 1.00 1.00 O ATOM 811 CB ILE A 55 76.655 -8.348 -16.655 1.00 1.00 C ATOM 812 CG1 ILE A 55 76.138 -8.252 -18.101 1.00 1.00 C ATOM 813 CG2 ILE A 55 77.748 -9.421 -16.582 1.00 1.00 C ATOM 814 CD1 ILE A 55 77.259 -7.737 -19.011 1.00 1.00 C ATOM 0 H ILE A 55 76.351 -8.912 -13.783 1.00 1.00 H new ATOM 0 HA ILE A 55 74.597 -8.185 -16.049 1.00 1.00 H new ATOM 0 HB ILE A 55 77.073 -7.388 -16.350 1.00 1.00 H new ATOM 0 HG12 ILE A 55 75.798 -9.230 -18.443 1.00 1.00 H new ATOM 0 HG13 ILE A 55 75.280 -7.582 -18.148 1.00 1.00 H new ATOM 0 HG21 ILE A 55 78.560 -9.160 -17.260 1.00 1.00 H new ATOM 0 HG22 ILE A 55 78.131 -9.481 -15.563 1.00 1.00 H new ATOM 0 HG23 ILE A 55 77.331 -10.386 -16.870 1.00 1.00 H new ATOM 0 HD11 ILE A 55 76.893 -7.669 -20.036 1.00 1.00 H new ATOM 0 HD12 ILE A 55 77.578 -6.751 -18.673 1.00 1.00 H new ATOM 0 HD13 ILE A 55 78.104 -8.425 -18.972 1.00 1.00 H new ATOM 826 N GLY A 56 74.419 -10.692 -16.668 1.00 1.00 N ATOM 827 CA GLY A 56 74.100 -12.115 -16.713 1.00 1.00 C ATOM 828 C GLY A 56 72.679 -12.343 -16.211 1.00 1.00 C ATOM 829 O GLY A 56 72.227 -13.482 -16.088 1.00 1.00 O ATOM 0 H GLY A 56 73.995 -10.134 -17.410 1.00 1.00 H new ATOM 0 HA2 GLY A 56 74.199 -12.487 -17.733 1.00 1.00 H new ATOM 0 HA3 GLY A 56 74.806 -12.675 -16.100 1.00 1.00 H new ATOM 833 N ASP A 57 71.988 -11.246 -15.881 1.00 1.00 N ATOM 834 CA ASP A 57 70.624 -11.320 -15.346 1.00 1.00 C ATOM 835 C ASP A 57 69.541 -11.268 -16.442 1.00 1.00 C ATOM 836 O ASP A 57 69.259 -10.228 -17.034 1.00 1.00 O ATOM 837 CB ASP A 57 70.400 -10.178 -14.341 1.00 1.00 C ATOM 838 CG ASP A 57 71.033 -10.518 -12.995 1.00 1.00 C ATOM 839 OD1 ASP A 57 70.633 -11.511 -12.405 1.00 1.00 O ATOM 840 OD2 ASP A 57 71.900 -9.782 -12.567 1.00 1.00 O ATOM 0 H ASP A 57 72.351 -10.297 -15.975 1.00 1.00 H new ATOM 0 HA ASP A 57 70.529 -12.287 -14.852 1.00 1.00 H new ATOM 0 HB2 ASP A 57 70.830 -9.255 -14.729 1.00 1.00 H new ATOM 0 HB3 ASP A 57 69.332 -10.003 -14.213 1.00 1.00 H new ATOM 845 N TRP A 58 68.909 -12.416 -16.611 1.00 1.00 N ATOM 846 CA TRP A 58 67.789 -12.595 -17.545 1.00 1.00 C ATOM 847 C TRP A 58 66.511 -12.127 -16.868 1.00 1.00 C ATOM 848 O TRP A 58 66.573 -11.669 -15.729 1.00 1.00 O ATOM 849 CB TRP A 58 67.661 -14.019 -18.038 1.00 1.00 C ATOM 850 CG TRP A 58 68.993 -14.513 -18.493 1.00 1.00 C ATOM 851 CD1 TRP A 58 70.076 -14.709 -17.703 1.00 1.00 C ATOM 852 CD2 TRP A 58 69.393 -14.882 -19.838 1.00 1.00 C ATOM 853 NE1 TRP A 58 71.115 -15.182 -18.484 1.00 1.00 N ATOM 854 CE2 TRP A 58 70.742 -15.304 -19.809 1.00 1.00 C ATOM 855 CE3 TRP A 58 68.719 -14.887 -21.067 1.00 1.00 C ATOM 856 CZ2 TRP A 58 71.397 -15.722 -20.966 1.00 1.00 C ATOM 857 CZ3 TRP A 58 69.372 -15.305 -22.233 1.00 1.00 C ATOM 858 CH2 TRP A 58 70.708 -15.723 -22.184 1.00 1.00 C ATOM 0 H TRP A 58 69.155 -13.265 -16.102 1.00 1.00 H new ATOM 0 HA TRP A 58 67.981 -11.993 -18.433 1.00 1.00 H new ATOM 0 HB2 TRP A 58 67.278 -14.657 -17.242 1.00 1.00 H new ATOM 0 HB3 TRP A 58 66.944 -14.068 -18.858 1.00 1.00 H new ATOM 0 HD1 TRP A 58 70.121 -14.526 -16.640 1.00 1.00 H new ATOM 0 HE1 TRP A 58 72.042 -15.412 -18.126 1.00 1.00 H new ATOM 0 HE3 TRP A 58 67.689 -14.566 -21.115 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 72.427 -16.042 -20.923 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 68.843 -15.305 -23.175 1.00 1.00 H new ATOM 0 HH2 TRP A 58 71.206 -16.046 -23.086 1.00 1.00 H new ATOM 869 N ARG A 59 65.346 -12.258 -17.519 1.00 1.00 N ATOM 870 CA ARG A 59 64.067 -11.868 -16.923 1.00 1.00 C ATOM 871 C ARG A 59 63.322 -13.098 -16.339 1.00 1.00 C ATOM 872 O ARG A 59 62.912 -13.101 -15.184 1.00 1.00 O ATOM 873 CB ARG A 59 63.222 -11.188 -18.019 1.00 1.00 C ATOM 874 CG ARG A 59 63.083 -12.115 -19.240 1.00 1.00 C ATOM 875 CD ARG A 59 62.609 -11.317 -20.452 1.00 1.00 C ATOM 876 NE ARG A 59 61.245 -10.862 -20.243 1.00 1.00 N ATOM 877 CZ ARG A 59 60.231 -11.714 -20.298 1.00 1.00 C ATOM 878 NH1 ARG A 59 60.454 -12.977 -20.543 1.00 1.00 N ATOM 879 NH2 ARG A 59 59.016 -11.291 -20.102 1.00 1.00 N ATOM 0 H ARG A 59 65.267 -12.634 -18.464 1.00 1.00 H new ATOM 0 HA ARG A 59 64.239 -11.179 -16.096 1.00 1.00 H new ATOM 0 HB2 ARG A 59 62.235 -10.942 -17.627 1.00 1.00 H new ATOM 0 HB3 ARG A 59 63.689 -10.250 -18.318 1.00 1.00 H new ATOM 0 HG2 ARG A 59 64.040 -12.588 -19.458 1.00 1.00 H new ATOM 0 HG3 ARG A 59 62.375 -12.914 -19.021 1.00 1.00 H new ATOM 0 HD2 ARG A 59 63.266 -10.462 -20.615 1.00 1.00 H new ATOM 0 HD3 ARG A 59 62.662 -11.935 -21.348 1.00 1.00 H new ATOM 0 HE ARG A 59 61.066 -9.876 -20.052 1.00 1.00 H new ATOM 0 HH11 ARG A 59 61.408 -13.307 -20.692 1.00 1.00 H new ATOM 0 HH12 ARG A 59 59.675 -13.634 -20.586 1.00 1.00 H new ATOM 0 HH21 ARG A 59 58.845 -10.305 -19.906 1.00 1.00 H new ATOM 0 HH22 ARG A 59 58.235 -11.946 -20.144 1.00 1.00 H new ATOM 893 N TYR A 60 63.131 -14.112 -17.191 1.00 1.00 N ATOM 894 CA TYR A 60 62.419 -15.365 -16.858 1.00 1.00 C ATOM 895 C TYR A 60 63.310 -16.360 -16.086 1.00 1.00 C ATOM 896 O TYR A 60 62.834 -17.359 -15.519 1.00 1.00 O ATOM 897 CB TYR A 60 61.892 -16.023 -18.164 1.00 1.00 C ATOM 898 CG TYR A 60 62.766 -17.208 -18.558 1.00 1.00 C ATOM 899 CD1 TYR A 60 63.938 -17.012 -19.303 1.00 1.00 C ATOM 900 CD2 TYR A 60 62.419 -18.500 -18.135 1.00 1.00 C ATOM 901 CE1 TYR A 60 64.760 -18.103 -19.618 1.00 1.00 C ATOM 902 CE2 TYR A 60 63.236 -19.589 -18.459 1.00 1.00 C ATOM 903 CZ TYR A 60 64.406 -19.391 -19.198 1.00 1.00 C ATOM 904 OH TYR A 60 65.224 -20.463 -19.491 1.00 1.00 O ATOM 0 H TYR A 60 63.472 -14.090 -18.152 1.00 1.00 H new ATOM 0 HA TYR A 60 61.585 -15.109 -16.204 1.00 1.00 H new ATOM 0 HB2 TYR A 60 60.863 -16.354 -18.021 1.00 1.00 H new ATOM 0 HB3 TYR A 60 61.881 -15.288 -18.969 1.00 1.00 H new ATOM 0 HD1 TYR A 60 64.207 -16.020 -19.634 1.00 1.00 H new ATOM 0 HD2 TYR A 60 61.519 -18.654 -17.558 1.00 1.00 H new ATOM 0 HE1 TYR A 60 65.667 -17.950 -20.185 1.00 1.00 H new ATOM 0 HE2 TYR A 60 62.962 -20.583 -18.138 1.00 1.00 H new ATOM 0 HH TYR A 60 64.832 -21.283 -19.126 1.00 1.00 H new ATOM 914 N GLU A 61 64.598 -16.083 -16.031 1.00 1.00 N ATOM 915 CA GLU A 61 65.502 -16.964 -15.309 1.00 1.00 C ATOM 916 C GLU A 61 65.434 -16.691 -13.840 1.00 1.00 C ATOM 917 O GLU A 61 65.931 -17.459 -13.042 1.00 1.00 O ATOM 918 CB GLU A 61 66.941 -16.809 -15.767 1.00 1.00 C ATOM 919 CG GLU A 61 67.026 -17.242 -17.228 1.00 1.00 C ATOM 920 CD GLU A 61 68.471 -17.212 -17.702 1.00 1.00 C ATOM 921 OE1 GLU A 61 69.342 -17.047 -16.865 1.00 1.00 O ATOM 922 OE2 GLU A 61 68.684 -17.357 -18.894 1.00 1.00 O ATOM 0 H GLU A 61 65.038 -15.273 -16.467 1.00 1.00 H new ATOM 0 HA GLU A 61 65.180 -17.984 -15.520 1.00 1.00 H new ATOM 0 HB2 GLU A 61 67.265 -15.774 -15.658 1.00 1.00 H new ATOM 0 HB3 GLU A 61 67.603 -17.417 -15.151 1.00 1.00 H new ATOM 0 HG2 GLU A 61 66.619 -18.247 -17.341 1.00 1.00 H new ATOM 0 HG3 GLU A 61 66.419 -16.581 -17.847 1.00 1.00 H new ATOM 929 N VAL A 62 64.884 -15.553 -13.482 1.00 1.00 N ATOM 930 CA VAL A 62 64.852 -15.151 -12.076 1.00 1.00 C ATOM 931 C VAL A 62 64.452 -16.326 -11.236 1.00 1.00 C ATOM 932 O VAL A 62 65.101 -16.636 -10.241 1.00 1.00 O ATOM 933 CB VAL A 62 63.881 -13.989 -11.836 1.00 1.00 C ATOM 934 CG1 VAL A 62 64.372 -12.742 -12.573 1.00 1.00 C ATOM 935 CG2 VAL A 62 62.471 -14.368 -12.319 1.00 1.00 C ATOM 0 H VAL A 62 64.455 -14.890 -14.128 1.00 1.00 H new ATOM 0 HA VAL A 62 65.849 -14.809 -11.799 1.00 1.00 H new ATOM 0 HB VAL A 62 63.839 -13.777 -10.768 1.00 1.00 H new ATOM 0 HG11 VAL A 62 63.678 -11.920 -12.399 1.00 1.00 H new ATOM 0 HG12 VAL A 62 65.360 -12.467 -12.205 1.00 1.00 H new ATOM 0 HG13 VAL A 62 64.428 -12.949 -13.642 1.00 1.00 H new ATOM 0 HG21 VAL A 62 61.790 -13.535 -12.143 1.00 1.00 H new ATOM 0 HG22 VAL A 62 62.500 -14.594 -13.385 1.00 1.00 H new ATOM 0 HG23 VAL A 62 62.122 -15.244 -11.772 1.00 1.00 H new ATOM 945 N ALA A 63 63.422 -17.020 -11.653 1.00 1.00 N ATOM 946 CA ALA A 63 63.020 -18.179 -10.948 1.00 1.00 C ATOM 947 C ALA A 63 64.122 -19.222 -11.084 1.00 1.00 C ATOM 948 O ALA A 63 64.570 -19.806 -10.088 1.00 1.00 O ATOM 949 CB ALA A 63 61.720 -18.697 -11.560 1.00 1.00 C ATOM 0 H ALA A 63 62.860 -16.793 -12.473 1.00 1.00 H new ATOM 0 HA ALA A 63 62.853 -17.961 -9.893 1.00 1.00 H new ATOM 0 HB1 ALA A 63 61.398 -19.591 -11.026 1.00 1.00 H new ATOM 0 HB2 ALA A 63 60.950 -17.930 -11.481 1.00 1.00 H new ATOM 0 HB3 ALA A 63 61.884 -18.940 -12.610 1.00 1.00 H new ATOM 955 N HIS A 64 64.609 -19.394 -12.327 1.00 1.00 N ATOM 956 CA HIS A 64 65.684 -20.362 -12.575 1.00 1.00 C ATOM 957 C HIS A 64 66.934 -20.043 -11.722 1.00 1.00 C ATOM 958 O HIS A 64 67.348 -20.836 -10.871 1.00 1.00 O ATOM 959 CB HIS A 64 66.023 -20.338 -14.080 1.00 1.00 C ATOM 960 CG HIS A 64 66.545 -21.677 -14.528 1.00 1.00 C ATOM 961 ND1 HIS A 64 67.883 -21.897 -14.813 1.00 1.00 N ATOM 962 CD2 HIS A 64 65.913 -22.875 -14.741 1.00 1.00 C ATOM 963 CE1 HIS A 64 68.011 -23.187 -15.177 1.00 1.00 C ATOM 964 NE2 HIS A 64 66.839 -23.828 -15.148 1.00 1.00 N ATOM 0 H HIS A 64 64.284 -18.889 -13.152 1.00 1.00 H new ATOM 0 HA HIS A 64 65.350 -21.359 -12.287 1.00 1.00 H new ATOM 0 HB2 HIS A 64 65.134 -20.078 -14.654 1.00 1.00 H new ATOM 0 HB3 HIS A 64 66.767 -19.567 -14.278 1.00 1.00 H new ATOM 0 HD2 HIS A 64 64.855 -23.051 -14.612 1.00 1.00 H new ATOM 0 HE1 HIS A 64 68.947 -23.647 -15.458 1.00 1.00 H new ATOM 0 HE2 HIS A 64 66.662 -24.806 -15.376 1.00 1.00 H new ATOM 972 N ASP A 65 67.517 -18.875 -11.906 1.00 1.00 N ATOM 973 CA ASP A 65 68.684 -18.500 -11.111 1.00 1.00 C ATOM 974 C ASP A 65 68.269 -18.241 -9.636 1.00 1.00 C ATOM 975 O ASP A 65 68.770 -18.884 -8.689 1.00 1.00 O ATOM 976 CB ASP A 65 69.292 -17.224 -11.742 1.00 1.00 C ATOM 977 CG ASP A 65 70.474 -17.562 -12.660 1.00 1.00 C ATOM 978 OD1 ASP A 65 71.521 -17.900 -12.144 1.00 1.00 O ATOM 979 OD2 ASP A 65 70.310 -17.462 -13.866 1.00 1.00 O ATOM 0 H ASP A 65 67.214 -18.176 -12.584 1.00 1.00 H new ATOM 0 HA ASP A 65 69.420 -19.304 -11.108 1.00 1.00 H new ATOM 0 HB2 ASP A 65 68.526 -16.697 -12.311 1.00 1.00 H new ATOM 0 HB3 ASP A 65 69.623 -16.549 -10.953 1.00 1.00 H new ATOM 984 N GLY A 66 67.308 -17.335 -9.433 1.00 1.00 N ATOM 985 CA GLY A 66 66.790 -17.010 -8.095 1.00 1.00 C ATOM 986 C GLY A 66 66.082 -18.206 -7.466 1.00 1.00 C ATOM 987 O GLY A 66 65.173 -18.052 -6.653 1.00 1.00 O ATOM 0 H GLY A 66 66.867 -16.807 -10.186 1.00 1.00 H new ATOM 0 HA2 GLY A 66 67.611 -16.692 -7.453 1.00 1.00 H new ATOM 0 HA3 GLY A 66 66.098 -16.171 -8.165 1.00 1.00 H new ATOM 991 N ARG A 67 66.568 -19.386 -7.788 1.00 1.00 N ATOM 992 CA ARG A 67 66.085 -20.627 -7.233 1.00 1.00 C ATOM 993 C ARG A 67 66.631 -20.818 -5.833 1.00 1.00 C ATOM 994 O ARG A 67 66.469 -21.894 -5.260 1.00 1.00 O ATOM 995 CB ARG A 67 66.440 -21.829 -8.105 1.00 1.00 C ATOM 996 CG ARG A 67 65.313 -22.179 -9.110 1.00 1.00 C ATOM 997 CD ARG A 67 65.125 -23.705 -9.234 1.00 1.00 C ATOM 998 NE ARG A 67 63.807 -24.045 -8.710 1.00 1.00 N ATOM 999 CZ ARG A 67 62.940 -24.789 -9.383 1.00 1.00 C ATOM 1000 NH1 ARG A 67 63.250 -25.291 -10.551 1.00 1.00 N ATOM 1001 NH2 ARG A 67 61.767 -25.015 -8.866 1.00 1.00 N ATOM 0 H ARG A 67 67.327 -19.509 -8.458 1.00 1.00 H new ATOM 0 HA ARG A 67 64.997 -20.565 -7.196 1.00 1.00 H new ATOM 0 HB2 ARG A 67 67.359 -21.620 -8.652 1.00 1.00 H new ATOM 0 HB3 ARG A 67 66.637 -22.692 -7.468 1.00 1.00 H new ATOM 0 HG2 ARG A 67 64.379 -21.721 -8.786 1.00 1.00 H new ATOM 0 HG3 ARG A 67 65.551 -21.759 -10.087 1.00 1.00 H new ATOM 0 HD2 ARG A 67 65.212 -24.016 -10.275 1.00 1.00 H new ATOM 0 HD3 ARG A 67 65.902 -24.230 -8.679 1.00 1.00 H new ATOM 0 HE ARG A 67 63.542 -23.696 -7.789 1.00 1.00 H new ATOM 0 HH11 ARG A 67 64.169 -25.112 -10.955 1.00 1.00 H new ATOM 0 HH12 ARG A 67 62.573 -25.862 -11.057 1.00 1.00 H new ATOM 0 HH21 ARG A 67 61.526 -24.622 -7.956 1.00 1.00 H new ATOM 0 HH22 ARG A 67 61.088 -25.585 -9.371 1.00 1.00 H new ATOM 1015 N LEU A 68 67.323 -19.795 -5.312 1.00 1.00 N ATOM 1016 CA LEU A 68 67.917 -19.892 -3.953 1.00 1.00 C ATOM 1017 C LEU A 68 66.982 -20.764 -3.102 1.00 1.00 C ATOM 1018 O LEU A 68 67.389 -21.485 -2.208 1.00 1.00 O ATOM 1019 CB LEU A 68 68.059 -18.512 -3.269 1.00 1.00 C ATOM 1020 CG LEU A 68 66.732 -17.693 -3.382 1.00 1.00 C ATOM 1021 CD1 LEU A 68 66.019 -17.602 -2.017 1.00 1.00 C ATOM 1022 CD2 LEU A 68 67.035 -16.267 -3.867 1.00 1.00 C ATOM 0 H LEU A 68 67.488 -18.909 -5.789 1.00 1.00 H new ATOM 0 HA LEU A 68 68.917 -20.317 -4.042 1.00 1.00 H new ATOM 0 HB2 LEU A 68 68.319 -18.647 -2.219 1.00 1.00 H new ATOM 0 HB3 LEU A 68 68.875 -17.955 -3.730 1.00 1.00 H new ATOM 0 HG LEU A 68 66.085 -18.207 -4.093 1.00 1.00 H new ATOM 0 HD11 LEU A 68 65.099 -17.027 -2.125 1.00 1.00 H new ATOM 0 HD12 LEU A 68 65.781 -18.605 -1.663 1.00 1.00 H new ATOM 0 HD13 LEU A 68 66.673 -17.109 -1.297 1.00 1.00 H new ATOM 0 HD21 LEU A 68 66.105 -15.703 -3.943 1.00 1.00 H new ATOM 0 HD22 LEU A 68 67.701 -15.775 -3.158 1.00 1.00 H new ATOM 0 HD23 LEU A 68 67.514 -16.309 -4.845 1.00 1.00 H new ATOM 1034 N LEU A 69 65.705 -20.719 -3.419 1.00 1.00 N ATOM 1035 CA LEU A 69 64.791 -21.594 -2.676 1.00 1.00 C ATOM 1036 C LEU A 69 65.197 -23.051 -2.974 1.00 1.00 C ATOM 1037 O LEU A 69 65.660 -23.766 -2.085 1.00 1.00 O ATOM 1038 CB LEU A 69 63.338 -21.349 -3.122 1.00 1.00 C ATOM 1039 CG LEU A 69 62.711 -20.198 -2.293 1.00 1.00 C ATOM 1040 CD1 LEU A 69 61.732 -19.407 -3.163 1.00 1.00 C ATOM 1041 CD2 LEU A 69 61.952 -20.772 -1.086 1.00 1.00 C ATOM 0 H LEU A 69 65.285 -20.130 -4.138 1.00 1.00 H new ATOM 0 HA LEU A 69 64.853 -21.389 -1.607 1.00 1.00 H new ATOM 0 HB2 LEU A 69 63.313 -21.099 -4.183 1.00 1.00 H new ATOM 0 HB3 LEU A 69 62.752 -22.259 -2.995 1.00 1.00 H new ATOM 0 HG LEU A 69 63.509 -19.543 -1.945 1.00 1.00 H new ATOM 0 HD11 LEU A 69 61.294 -18.600 -2.576 1.00 1.00 H new ATOM 0 HD12 LEU A 69 62.262 -18.988 -4.018 1.00 1.00 H new ATOM 0 HD13 LEU A 69 60.941 -20.069 -3.515 1.00 1.00 H new ATOM 0 HD21 LEU A 69 61.515 -19.957 -0.510 1.00 1.00 H new ATOM 0 HD22 LEU A 69 61.160 -21.434 -1.436 1.00 1.00 H new ATOM 0 HD23 LEU A 69 62.642 -21.333 -0.456 1.00 1.00 H new ATOM 1053 N ALA A 70 65.059 -23.471 -4.244 1.00 1.00 N ATOM 1054 CA ALA A 70 65.475 -24.837 -4.624 1.00 1.00 C ATOM 1055 C ALA A 70 66.999 -24.817 -4.732 1.00 1.00 C ATOM 1056 O ALA A 70 67.688 -25.356 -3.871 1.00 1.00 O ATOM 1057 CB ALA A 70 64.835 -25.203 -5.973 1.00 1.00 C ATOM 0 H ALA A 70 64.676 -22.908 -5.004 1.00 1.00 H new ATOM 0 HA ALA A 70 65.157 -25.579 -3.891 1.00 1.00 H new ATOM 0 HB1 ALA A 70 65.139 -26.210 -6.258 1.00 1.00 H new ATOM 0 HB2 ALA A 70 63.749 -25.163 -5.883 1.00 1.00 H new ATOM 0 HB3 ALA A 70 65.163 -24.496 -6.735 1.00 1.00 H new ATOM 1063 N ALA A 71 67.509 -24.173 -5.787 1.00 1.00 N ATOM 1064 CA ALA A 71 68.940 -24.007 -6.066 1.00 1.00 C ATOM 1065 C ALA A 71 69.709 -23.503 -4.856 1.00 1.00 C ATOM 1066 O ALA A 71 70.890 -23.176 -4.965 1.00 1.00 O ATOM 1067 CB ALA A 71 69.128 -23.075 -7.262 1.00 1.00 C ATOM 0 H ALA A 71 66.917 -23.738 -6.495 1.00 1.00 H new ATOM 0 HA ALA A 71 69.350 -24.988 -6.307 1.00 1.00 H new ATOM 0 HB1 ALA A 71 70.192 -22.955 -7.466 1.00 1.00 H new ATOM 0 HB2 ALA A 71 68.637 -23.502 -8.137 1.00 1.00 H new ATOM 0 HB3 ALA A 71 68.689 -22.103 -7.038 1.00 1.00 H new ATOM 1073 N HIS A 72 69.021 -23.372 -3.729 1.00 1.00 N ATOM 1074 CA HIS A 72 69.597 -22.832 -2.499 1.00 1.00 C ATOM 1075 C HIS A 72 71.112 -22.854 -2.509 1.00 1.00 C ATOM 1076 O HIS A 72 71.727 -21.801 -2.671 1.00 1.00 O ATOM 1077 CB HIS A 72 69.060 -23.700 -1.346 1.00 1.00 C ATOM 1078 CG HIS A 72 69.346 -25.159 -1.644 1.00 1.00 C ATOM 1079 ND1 HIS A 72 69.799 -25.582 -2.889 1.00 1.00 N ATOM 1080 CD2 HIS A 72 69.275 -26.295 -0.872 1.00 1.00 C ATOM 1081 CE1 HIS A 72 69.984 -26.913 -2.828 1.00 1.00 C ATOM 1082 NE2 HIS A 72 69.681 -27.399 -1.622 1.00 1.00 N ATOM 0 H HIS A 72 68.041 -23.639 -3.640 1.00 1.00 H new ATOM 0 HA HIS A 72 69.313 -21.785 -2.389 1.00 1.00 H new ATOM 0 HB2 HIS A 72 69.531 -23.409 -0.407 1.00 1.00 H new ATOM 0 HB3 HIS A 72 67.988 -23.544 -1.227 1.00 1.00 H new ATOM 0 HD2 HIS A 72 68.954 -26.327 0.159 1.00 1.00 H new ATOM 0 HE1 HIS A 72 70.335 -27.515 -3.653 1.00 1.00 H new ATOM 0 HE2 HIS A 72 69.735 -28.370 -1.315 1.00 1.00 H new ATOM 1090 N MET A 73 71.724 -23.991 -2.378 1.00 1.00 N ATOM 1091 CA MET A 73 73.162 -24.027 -2.428 1.00 1.00 C ATOM 1092 C MET A 73 73.648 -23.767 -3.853 1.00 1.00 C ATOM 1093 O MET A 73 74.648 -23.075 -4.045 1.00 1.00 O ATOM 1094 CB MET A 73 73.621 -25.374 -1.924 1.00 1.00 C ATOM 1095 CG MET A 73 73.443 -25.399 -0.410 1.00 1.00 C ATOM 1096 SD MET A 73 73.707 -27.077 0.180 1.00 1.00 S ATOM 1097 CE MET A 73 72.862 -26.863 1.757 1.00 1.00 C ATOM 0 H MET A 73 71.266 -24.892 -2.238 1.00 1.00 H new ATOM 0 HA MET A 73 73.584 -23.246 -1.796 1.00 1.00 H new ATOM 0 HB2 MET A 73 73.042 -26.172 -2.389 1.00 1.00 H new ATOM 0 HB3 MET A 73 74.665 -25.543 -2.187 1.00 1.00 H new ATOM 0 HG2 MET A 73 74.149 -24.717 0.064 1.00 1.00 H new ATOM 0 HG3 MET A 73 72.443 -25.058 -0.142 1.00 1.00 H new ATOM 0 HE1 MET A 73 72.895 -27.797 2.317 1.00 1.00 H new ATOM 0 HE2 MET A 73 73.355 -26.078 2.331 1.00 1.00 H new ATOM 0 HE3 MET A 73 71.824 -26.584 1.578 1.00 1.00 H new ATOM 1107 N VAL A 74 72.992 -24.383 -4.844 1.00 1.00 N ATOM 1108 CA VAL A 74 73.453 -24.269 -6.228 1.00 1.00 C ATOM 1109 C VAL A 74 73.851 -22.825 -6.536 1.00 1.00 C ATOM 1110 O VAL A 74 74.914 -22.614 -7.122 1.00 1.00 O ATOM 1111 CB VAL A 74 72.340 -24.732 -7.186 1.00 1.00 C ATOM 1112 CG1 VAL A 74 72.665 -24.332 -8.631 1.00 1.00 C ATOM 1113 CG2 VAL A 74 72.152 -26.254 -7.109 1.00 1.00 C ATOM 0 H VAL A 74 72.157 -24.954 -4.716 1.00 1.00 H new ATOM 0 HA VAL A 74 74.327 -24.905 -6.366 1.00 1.00 H new ATOM 0 HB VAL A 74 71.416 -24.243 -6.879 1.00 1.00 H new ATOM 0 HG11 VAL A 74 71.865 -24.669 -9.290 1.00 1.00 H new ATOM 0 HG12 VAL A 74 72.757 -23.248 -8.697 1.00 1.00 H new ATOM 0 HG13 VAL A 74 73.604 -24.794 -8.934 1.00 1.00 H new ATOM 0 HG21 VAL A 74 71.361 -26.558 -7.794 1.00 1.00 H new ATOM 0 HG22 VAL A 74 73.082 -26.750 -7.386 1.00 1.00 H new ATOM 0 HG23 VAL A 74 71.879 -26.536 -6.092 1.00 1.00 H new ATOM 1123 N ASN A 75 73.035 -21.828 -6.155 1.00 1.00 N ATOM 1124 CA ASN A 75 73.367 -20.415 -6.405 1.00 1.00 C ATOM 1125 C ASN A 75 74.862 -20.138 -6.210 1.00 1.00 C ATOM 1126 O ASN A 75 75.416 -19.170 -6.720 1.00 1.00 O ATOM 1127 CB ASN A 75 72.550 -19.555 -5.432 1.00 1.00 C ATOM 1128 CG ASN A 75 72.395 -18.142 -5.974 1.00 1.00 C ATOM 1129 OD1 ASN A 75 71.503 -17.883 -6.778 1.00 1.00 O ATOM 1130 ND2 ASN A 75 73.221 -17.213 -5.578 1.00 1.00 N ATOM 0 H ASN A 75 72.146 -21.973 -5.676 1.00 1.00 H new ATOM 0 HA ASN A 75 73.125 -20.173 -7.440 1.00 1.00 H new ATOM 0 HB2 ASN A 75 71.568 -20.002 -5.278 1.00 1.00 H new ATOM 0 HB3 ASN A 75 73.043 -19.526 -4.460 1.00 1.00 H new ATOM 0 HD21 ASN A 75 73.129 -16.262 -5.936 1.00 1.00 H new ATOM 0 HD22 ASN A 75 73.959 -17.437 -4.910 1.00 1.00 H new ATOM 1137 N GLY A 76 75.490 -21.041 -5.506 1.00 1.00 N ATOM 1138 CA GLY A 76 76.929 -20.977 -5.249 1.00 1.00 C ATOM 1139 C GLY A 76 77.662 -20.586 -6.546 1.00 1.00 C ATOM 1140 O GLY A 76 78.813 -20.151 -6.524 1.00 1.00 O ATOM 0 H GLY A 76 75.029 -21.849 -5.087 1.00 1.00 H new ATOM 0 HA2 GLY A 76 77.138 -20.248 -4.466 1.00 1.00 H new ATOM 0 HA3 GLY A 76 77.289 -21.941 -4.891 1.00 1.00 H new ATOM 1144 N ILE A 77 76.970 -20.772 -7.679 1.00 1.00 N ATOM 1145 CA ILE A 77 77.544 -20.442 -8.990 1.00 1.00 C ATOM 1146 C ILE A 77 77.198 -18.996 -9.303 1.00 1.00 C ATOM 1147 O ILE A 77 78.037 -18.243 -9.745 1.00 1.00 O ATOM 1148 CB ILE A 77 77.061 -21.390 -10.095 1.00 1.00 C ATOM 1149 CG1 ILE A 77 75.555 -21.211 -10.316 1.00 1.00 C ATOM 1150 CG2 ILE A 77 77.376 -22.840 -9.703 1.00 1.00 C ATOM 1151 CD1 ILE A 77 75.033 -22.311 -11.243 1.00 1.00 C ATOM 0 H ILE A 77 76.021 -21.145 -7.714 1.00 1.00 H new ATOM 0 HA ILE A 77 78.626 -20.568 -8.951 1.00 1.00 H new ATOM 0 HB ILE A 77 77.578 -21.155 -11.025 1.00 1.00 H new ATOM 0 HG12 ILE A 77 75.031 -21.249 -9.361 1.00 1.00 H new ATOM 0 HG13 ILE A 77 75.356 -20.231 -10.751 1.00 1.00 H new ATOM 0 HG21 ILE A 77 77.032 -23.512 -10.489 1.00 1.00 H new ATOM 0 HG22 ILE A 77 78.452 -22.956 -9.571 1.00 1.00 H new ATOM 0 HG23 ILE A 77 76.868 -23.083 -8.770 1.00 1.00 H new ATOM 0 HD11 ILE A 77 73.962 -22.179 -11.397 1.00 1.00 H new ATOM 0 HD12 ILE A 77 75.547 -22.253 -12.202 1.00 1.00 H new ATOM 0 HD13 ILE A 77 75.217 -23.286 -10.791 1.00 1.00 H new ATOM 1163 N VAL A 78 75.919 -18.651 -9.156 1.00 1.00 N ATOM 1164 CA VAL A 78 75.454 -17.319 -9.479 1.00 1.00 C ATOM 1165 C VAL A 78 76.554 -16.320 -9.120 1.00 1.00 C ATOM 1166 O VAL A 78 76.754 -15.327 -9.822 1.00 1.00 O ATOM 1167 CB VAL A 78 74.172 -17.030 -8.685 1.00 1.00 C ATOM 1168 CG1 VAL A 78 73.933 -15.525 -8.573 1.00 1.00 C ATOM 1169 CG2 VAL A 78 72.981 -17.692 -9.385 1.00 1.00 C ATOM 0 H VAL A 78 75.193 -19.281 -8.815 1.00 1.00 H new ATOM 0 HA VAL A 78 75.230 -17.233 -10.542 1.00 1.00 H new ATOM 0 HB VAL A 78 74.282 -17.437 -7.680 1.00 1.00 H new ATOM 0 HG11 VAL A 78 73.020 -15.343 -8.007 1.00 1.00 H new ATOM 0 HG12 VAL A 78 74.776 -15.060 -8.062 1.00 1.00 H new ATOM 0 HG13 VAL A 78 73.833 -15.097 -9.571 1.00 1.00 H new ATOM 0 HG21 VAL A 78 72.069 -17.488 -8.823 1.00 1.00 H new ATOM 0 HG22 VAL A 78 72.883 -17.291 -10.394 1.00 1.00 H new ATOM 0 HG23 VAL A 78 73.142 -18.769 -9.437 1.00 1.00 H new ATOM 1179 N ILE A 79 77.281 -16.618 -8.038 1.00 1.00 N ATOM 1180 CA ILE A 79 78.381 -15.768 -7.604 1.00 1.00 C ATOM 1181 C ILE A 79 79.696 -16.239 -8.234 1.00 1.00 C ATOM 1182 O ILE A 79 80.606 -15.476 -8.391 1.00 1.00 O ATOM 1183 CB ILE A 79 78.493 -15.786 -6.063 1.00 1.00 C ATOM 1184 CG1 ILE A 79 79.178 -17.097 -5.566 1.00 1.00 C ATOM 1185 CG2 ILE A 79 77.083 -15.683 -5.466 1.00 1.00 C ATOM 1186 CD1 ILE A 79 80.661 -16.840 -5.250 1.00 1.00 C ATOM 0 H ILE A 79 77.124 -17.439 -7.453 1.00 1.00 H new ATOM 0 HA ILE A 79 78.183 -14.747 -7.930 1.00 1.00 H new ATOM 0 HB ILE A 79 79.105 -14.943 -5.742 1.00 1.00 H new ATOM 0 HG12 ILE A 79 78.669 -17.466 -4.676 1.00 1.00 H new ATOM 0 HG13 ILE A 79 79.091 -17.872 -6.328 1.00 1.00 H new ATOM 0 HG21 ILE A 79 77.147 -15.695 -4.378 1.00 1.00 H new ATOM 0 HG22 ILE A 79 76.617 -14.753 -5.792 1.00 1.00 H new ATOM 0 HG23 ILE A 79 76.483 -16.528 -5.803 1.00 1.00 H new ATOM 0 HD11 ILE A 79 81.125 -17.764 -4.905 1.00 1.00 H new ATOM 0 HD12 ILE A 79 81.170 -16.493 -6.149 1.00 1.00 H new ATOM 0 HD13 ILE A 79 80.741 -16.081 -4.472 1.00 1.00 H new ATOM 1198 N ALA A 80 79.766 -17.489 -8.656 1.00 1.00 N ATOM 1199 CA ALA A 80 80.939 -18.038 -9.348 1.00 1.00 C ATOM 1200 C ALA A 80 80.829 -17.927 -10.894 1.00 1.00 C ATOM 1201 O ALA A 80 81.780 -18.248 -11.607 1.00 1.00 O ATOM 1202 CB ALA A 80 81.156 -19.495 -8.929 1.00 1.00 C ATOM 0 H ALA A 80 79.011 -18.163 -8.532 1.00 1.00 H new ATOM 0 HA ALA A 80 81.800 -17.439 -9.052 1.00 1.00 H new ATOM 0 HB1 ALA A 80 82.028 -19.896 -9.446 1.00 1.00 H new ATOM 0 HB2 ALA A 80 81.318 -19.544 -7.852 1.00 1.00 H new ATOM 0 HB3 ALA A 80 80.277 -20.084 -9.190 1.00 1.00 H new ATOM 1208 N GLU A 81 79.642 -17.550 -11.398 1.00 1.00 N ATOM 1209 CA GLU A 81 79.409 -17.496 -12.842 1.00 1.00 C ATOM 1210 C GLU A 81 79.990 -16.241 -13.482 1.00 1.00 C ATOM 1211 O GLU A 81 81.038 -16.296 -14.129 1.00 1.00 O ATOM 1212 CB GLU A 81 77.875 -17.523 -13.085 1.00 1.00 C ATOM 1213 CG GLU A 81 77.412 -18.921 -13.516 1.00 1.00 C ATOM 1214 CD GLU A 81 77.775 -19.155 -14.979 1.00 1.00 C ATOM 1215 OE1 GLU A 81 77.466 -18.295 -15.790 1.00 1.00 O ATOM 1216 OE2 GLU A 81 78.359 -20.183 -15.267 1.00 1.00 O ATOM 0 H GLU A 81 78.839 -17.281 -10.829 1.00 1.00 H new ATOM 0 HA GLU A 81 79.906 -18.352 -13.298 1.00 1.00 H new ATOM 0 HB2 GLU A 81 77.354 -17.228 -12.174 1.00 1.00 H new ATOM 0 HB3 GLU A 81 77.612 -16.796 -13.853 1.00 1.00 H new ATOM 0 HG2 GLU A 81 77.881 -19.679 -12.889 1.00 1.00 H new ATOM 0 HG3 GLU A 81 76.335 -19.016 -13.379 1.00 1.00 H new ATOM 1223 N ASP A 82 79.306 -15.115 -13.305 1.00 1.00 N ATOM 1224 CA ASP A 82 79.756 -13.854 -13.870 1.00 1.00 C ATOM 1225 C ASP A 82 80.734 -13.155 -12.943 1.00 1.00 C ATOM 1226 O ASP A 82 81.379 -12.213 -13.332 1.00 1.00 O ATOM 1227 CB ASP A 82 78.565 -12.935 -14.145 1.00 1.00 C ATOM 1228 CG ASP A 82 77.503 -13.683 -14.947 1.00 1.00 C ATOM 1229 OD1 ASP A 82 76.657 -14.308 -14.329 1.00 1.00 O ATOM 1230 OD2 ASP A 82 77.554 -13.624 -16.165 1.00 1.00 O ATOM 0 H ASP A 82 78.437 -15.053 -12.774 1.00 1.00 H new ATOM 0 HA ASP A 82 80.265 -14.076 -14.808 1.00 1.00 H new ATOM 0 HB2 ASP A 82 78.142 -12.583 -13.204 1.00 1.00 H new ATOM 0 HB3 ASP A 82 78.895 -12.054 -14.695 1.00 1.00 H new ATOM 1235 N ALA A 83 80.779 -13.540 -11.685 1.00 1.00 N ATOM 1236 CA ALA A 83 81.646 -12.814 -10.777 1.00 1.00 C ATOM 1237 C ALA A 83 83.101 -12.837 -11.237 1.00 1.00 C ATOM 1238 O ALA A 83 83.815 -11.855 -11.059 1.00 1.00 O ATOM 1239 CB ALA A 83 81.571 -13.391 -9.394 1.00 1.00 C ATOM 0 H ALA A 83 80.253 -14.314 -11.280 1.00 1.00 H new ATOM 0 HA ALA A 83 81.296 -11.782 -10.770 1.00 1.00 H new ATOM 0 HB1 ALA A 83 82.229 -12.831 -8.730 1.00 1.00 H new ATOM 0 HB2 ALA A 83 80.546 -13.327 -9.028 1.00 1.00 H new ATOM 0 HB3 ALA A 83 81.883 -14.435 -9.418 1.00 1.00 H new ATOM 1245 N LEU A 84 83.566 -13.975 -11.742 1.00 1.00 N ATOM 1246 CA LEU A 84 84.975 -14.122 -12.123 1.00 1.00 C ATOM 1247 C LEU A 84 85.550 -12.858 -12.750 1.00 1.00 C ATOM 1248 O LEU A 84 86.707 -12.518 -12.493 1.00 1.00 O ATOM 1249 CB LEU A 84 85.121 -15.294 -13.120 1.00 1.00 C ATOM 1250 CG LEU A 84 86.603 -15.592 -13.482 1.00 1.00 C ATOM 1251 CD1 LEU A 84 87.195 -14.521 -14.425 1.00 1.00 C ATOM 1252 CD2 LEU A 84 87.461 -15.705 -12.213 1.00 1.00 C ATOM 0 H LEU A 84 82.996 -14.806 -11.898 1.00 1.00 H new ATOM 0 HA LEU A 84 85.535 -14.319 -11.209 1.00 1.00 H new ATOM 0 HB2 LEU A 84 84.669 -16.189 -12.692 1.00 1.00 H new ATOM 0 HB3 LEU A 84 84.568 -15.062 -14.030 1.00 1.00 H new ATOM 0 HG LEU A 84 86.617 -16.546 -14.009 1.00 1.00 H new ATOM 0 HD11 LEU A 84 88.232 -14.769 -14.652 1.00 1.00 H new ATOM 0 HD12 LEU A 84 86.618 -14.491 -15.350 1.00 1.00 H new ATOM 0 HD13 LEU A 84 87.153 -13.546 -13.940 1.00 1.00 H new ATOM 0 HD21 LEU A 84 88.494 -15.914 -12.490 1.00 1.00 H new ATOM 0 HD22 LEU A 84 87.416 -14.767 -11.659 1.00 1.00 H new ATOM 0 HD23 LEU A 84 87.082 -16.514 -11.589 1.00 1.00 H new ATOM 1264 N ILE A 85 84.766 -12.144 -13.541 1.00 1.00 N ATOM 1265 CA ILE A 85 85.264 -10.933 -14.168 1.00 1.00 C ATOM 1266 C ILE A 85 85.488 -9.825 -13.146 1.00 1.00 C ATOM 1267 O ILE A 85 86.308 -8.935 -13.364 1.00 1.00 O ATOM 1268 CB ILE A 85 84.265 -10.475 -15.239 1.00 1.00 C ATOM 1269 CG1 ILE A 85 82.882 -10.332 -14.605 1.00 1.00 C ATOM 1270 CG2 ILE A 85 84.205 -11.545 -16.335 1.00 1.00 C ATOM 1271 CD1 ILE A 85 81.952 -9.509 -15.490 1.00 1.00 C ATOM 0 H ILE A 85 83.798 -12.377 -13.761 1.00 1.00 H new ATOM 0 HA ILE A 85 86.228 -11.151 -14.628 1.00 1.00 H new ATOM 0 HB ILE A 85 84.575 -9.519 -15.660 1.00 1.00 H new ATOM 0 HG12 ILE A 85 82.451 -11.319 -14.439 1.00 1.00 H new ATOM 0 HG13 ILE A 85 82.974 -9.857 -13.628 1.00 1.00 H new ATOM 0 HG21 ILE A 85 83.499 -11.237 -17.106 1.00 1.00 H new ATOM 0 HG22 ILE A 85 85.194 -11.669 -16.777 1.00 1.00 H new ATOM 0 HG23 ILE A 85 83.879 -12.491 -15.902 1.00 1.00 H new ATOM 0 HD11 ILE A 85 80.976 -9.425 -15.013 1.00 1.00 H new ATOM 0 HD12 ILE A 85 82.373 -8.514 -15.634 1.00 1.00 H new ATOM 0 HD13 ILE A 85 81.842 -9.999 -16.457 1.00 1.00 H new ATOM 1283 N ALA A 86 84.750 -9.867 -12.040 1.00 1.00 N ATOM 1284 CA ALA A 86 84.870 -8.849 -10.999 1.00 1.00 C ATOM 1285 C ALA A 86 85.976 -9.178 -10.007 1.00 1.00 C ATOM 1286 O ALA A 86 86.382 -8.321 -9.232 1.00 1.00 O ATOM 1287 CB ALA A 86 83.555 -8.707 -10.242 1.00 1.00 C ATOM 0 H ALA A 86 84.063 -10.594 -11.841 1.00 1.00 H new ATOM 0 HA ALA A 86 85.119 -7.912 -11.497 1.00 1.00 H new ATOM 0 HB1 ALA A 86 83.660 -7.945 -9.470 1.00 1.00 H new ATOM 0 HB2 ALA A 86 82.766 -8.415 -10.935 1.00 1.00 H new ATOM 0 HB3 ALA A 86 83.297 -9.659 -9.779 1.00 1.00 H new ATOM 1293 N GLU A 87 86.444 -10.418 -10.016 1.00 1.00 N ATOM 1294 CA GLU A 87 87.497 -10.833 -9.094 1.00 1.00 C ATOM 1295 C GLU A 87 88.685 -9.884 -9.197 1.00 1.00 C ATOM 1296 O GLU A 87 89.619 -9.951 -8.396 1.00 1.00 O ATOM 1297 CB GLU A 87 87.941 -12.275 -9.439 1.00 1.00 C ATOM 1298 CG GLU A 87 87.952 -13.161 -8.185 1.00 1.00 C ATOM 1299 CD GLU A 87 88.463 -14.554 -8.542 1.00 1.00 C ATOM 1300 OE1 GLU A 87 89.653 -14.683 -8.775 1.00 1.00 O ATOM 1301 OE2 GLU A 87 87.658 -15.469 -8.577 1.00 1.00 O ATOM 0 H GLU A 87 86.116 -11.151 -10.645 1.00 1.00 H new ATOM 0 HA GLU A 87 87.115 -10.806 -8.073 1.00 1.00 H new ATOM 0 HB2 GLU A 87 87.266 -12.699 -10.183 1.00 1.00 H new ATOM 0 HB3 GLU A 87 88.936 -12.257 -9.885 1.00 1.00 H new ATOM 0 HG2 GLU A 87 88.587 -12.716 -7.419 1.00 1.00 H new ATOM 0 HG3 GLU A 87 86.948 -13.228 -7.767 1.00 1.00 H new ATOM 1308 N ALA A 88 88.647 -8.999 -10.190 1.00 1.00 N ATOM 1309 CA ALA A 88 89.741 -8.036 -10.385 1.00 1.00 C ATOM 1310 C ALA A 88 89.411 -6.745 -9.662 1.00 1.00 C ATOM 1311 O ALA A 88 90.244 -5.847 -9.535 1.00 1.00 O ATOM 1312 CB ALA A 88 89.972 -7.765 -11.875 1.00 1.00 C ATOM 0 H ALA A 88 87.886 -8.924 -10.865 1.00 1.00 H new ATOM 0 HA ALA A 88 90.658 -8.458 -9.974 1.00 1.00 H new ATOM 0 HB1 ALA A 88 90.786 -7.050 -11.993 1.00 1.00 H new ATOM 0 HB2 ALA A 88 90.232 -8.696 -12.378 1.00 1.00 H new ATOM 0 HB3 ALA A 88 89.063 -7.356 -12.316 1.00 1.00 H new ATOM 1318 N VAL A 89 88.186 -6.674 -9.166 1.00 1.00 N ATOM 1319 CA VAL A 89 87.725 -5.530 -8.427 1.00 1.00 C ATOM 1320 C VAL A 89 87.977 -5.790 -6.945 1.00 1.00 C ATOM 1321 O VAL A 89 87.220 -5.332 -6.089 1.00 1.00 O ATOM 1322 CB VAL A 89 86.247 -5.243 -8.737 1.00 1.00 C ATOM 1323 CG1 VAL A 89 85.873 -3.838 -8.259 1.00 1.00 C ATOM 1324 CG2 VAL A 89 86.016 -5.306 -10.254 1.00 1.00 C ATOM 0 H VAL A 89 87.490 -7.413 -9.269 1.00 1.00 H new ATOM 0 HA VAL A 89 88.272 -4.634 -8.721 1.00 1.00 H new ATOM 0 HB VAL A 89 85.636 -5.987 -8.226 1.00 1.00 H new ATOM 0 HG11 VAL A 89 84.824 -3.645 -8.483 1.00 1.00 H new ATOM 0 HG12 VAL A 89 86.034 -3.765 -7.183 1.00 1.00 H new ATOM 0 HG13 VAL A 89 86.495 -3.102 -8.769 1.00 1.00 H new ATOM 0 HG21 VAL A 89 84.967 -5.102 -10.471 1.00 1.00 H new ATOM 0 HG22 VAL A 89 86.640 -4.562 -10.748 1.00 1.00 H new ATOM 0 HG23 VAL A 89 86.276 -6.299 -10.621 1.00 1.00 H new ATOM 1334 N GLY A 90 89.106 -6.467 -6.626 1.00 1.00 N ATOM 1335 CA GLY A 90 89.476 -6.695 -5.247 1.00 1.00 C ATOM 1336 C GLY A 90 89.449 -5.398 -4.446 1.00 1.00 C ATOM 1337 O GLY A 90 89.144 -5.475 -3.262 1.00 1.00 O ATOM 0 H GLY A 90 89.756 -6.853 -7.311 1.00 1.00 H new ATOM 0 HA2 GLY A 90 88.792 -7.416 -4.799 1.00 1.00 H new ATOM 0 HA3 GLY A 90 90.474 -7.132 -5.203 1.00 1.00 H new ATOM 1341 N PRO A 91 89.674 -4.190 -5.037 1.00 1.00 N ATOM 1342 CA PRO A 91 89.522 -2.875 -4.319 1.00 1.00 C ATOM 1343 C PRO A 91 88.417 -2.868 -3.246 1.00 1.00 C ATOM 1344 O PRO A 91 88.224 -1.865 -2.561 1.00 1.00 O ATOM 1345 CB PRO A 91 89.156 -1.890 -5.460 1.00 1.00 C ATOM 1346 CG PRO A 91 89.568 -2.562 -6.754 1.00 1.00 C ATOM 1347 CD PRO A 91 90.229 -3.894 -6.386 1.00 1.00 C ATOM 0 HA PRO A 91 90.430 -2.626 -3.770 1.00 1.00 H new ATOM 0 HB2 PRO A 91 88.088 -1.673 -5.458 1.00 1.00 H new ATOM 0 HB3 PRO A 91 89.674 -0.940 -5.334 1.00 1.00 H new ATOM 0 HG2 PRO A 91 88.701 -2.727 -7.394 1.00 1.00 H new ATOM 0 HG3 PRO A 91 90.260 -1.931 -7.311 1.00 1.00 H new ATOM 0 HD2 PRO A 91 89.983 -4.677 -7.103 1.00 1.00 H new ATOM 0 HD3 PRO A 91 91.316 -3.812 -6.365 1.00 1.00 H new ATOM 1355 N HIS A 92 87.711 -3.982 -3.099 1.00 1.00 N ATOM 1356 CA HIS A 92 86.669 -4.089 -2.107 1.00 1.00 C ATOM 1357 C HIS A 92 87.261 -3.628 -0.786 1.00 1.00 C ATOM 1358 O HIS A 92 86.536 -3.083 0.035 1.00 1.00 O ATOM 1359 CB HIS A 92 86.202 -5.559 -2.002 1.00 1.00 C ATOM 1360 CG HIS A 92 85.700 -5.864 -0.608 1.00 1.00 C ATOM 1361 ND1 HIS A 92 84.762 -5.253 0.188 1.00 1.00 N flip ATOM 1362 CD2 HIS A 92 86.226 -6.894 0.154 1.00 1.00 C flip ATOM 1363 CE1 HIS A 92 84.711 -5.890 1.426 1.00 1.00 C flip ATOM 1364 NE2 HIS A 92 85.613 -6.871 1.351 1.00 1.00 N flip ATOM 0 H HIS A 92 87.848 -4.823 -3.660 1.00 1.00 H new ATOM 0 HA HIS A 92 85.806 -3.478 -2.373 1.00 1.00 H new ATOM 0 HB2 HIS A 92 85.411 -5.747 -2.728 1.00 1.00 H new ATOM 0 HB3 HIS A 92 87.027 -6.226 -2.250 1.00 1.00 H new ATOM 0 HD2 HIS A 92 86.991 -7.590 -0.157 1.00 1.00 H new ATOM 0 HE1 HIS A 92 84.078 -5.643 2.266 1.00 1.00 H new ATOM 0 HE2 HIS A 92 85.813 -7.524 2.109 1.00 1.00 H new ATOM 1372 N LEU A 93 88.571 -3.809 -0.582 1.00 1.00 N ATOM 1373 CA LEU A 93 89.196 -3.333 0.634 1.00 1.00 C ATOM 1374 C LEU A 93 89.005 -1.825 0.714 1.00 1.00 C ATOM 1375 O LEU A 93 88.538 -1.291 1.714 1.00 1.00 O ATOM 1376 CB LEU A 93 90.690 -3.689 0.586 1.00 1.00 C ATOM 1377 CG LEU A 93 91.352 -3.128 -0.713 1.00 1.00 C ATOM 1378 CD1 LEU A 93 92.120 -1.823 -0.406 1.00 1.00 C ATOM 1379 CD2 LEU A 93 92.328 -4.165 -1.293 1.00 1.00 C ATOM 0 H LEU A 93 89.200 -4.274 -1.236 1.00 1.00 H new ATOM 0 HA LEU A 93 88.750 -3.796 1.514 1.00 1.00 H new ATOM 0 HB2 LEU A 93 91.194 -3.281 1.462 1.00 1.00 H new ATOM 0 HB3 LEU A 93 90.812 -4.772 0.624 1.00 1.00 H new ATOM 0 HG LEU A 93 90.566 -2.918 -1.438 1.00 1.00 H new ATOM 0 HD11 LEU A 93 92.575 -1.445 -1.321 1.00 1.00 H new ATOM 0 HD12 LEU A 93 91.429 -1.079 -0.010 1.00 1.00 H new ATOM 0 HD13 LEU A 93 92.898 -2.023 0.330 1.00 1.00 H new ATOM 0 HD21 LEU A 93 92.786 -3.767 -2.199 1.00 1.00 H new ATOM 0 HD22 LEU A 93 93.104 -4.384 -0.560 1.00 1.00 H new ATOM 0 HD23 LEU A 93 91.787 -5.080 -1.532 1.00 1.00 H new ATOM 1391 N ALA A 94 89.378 -1.127 -0.352 1.00 1.00 N ATOM 1392 CA ALA A 94 89.241 0.327 -0.355 1.00 1.00 C ATOM 1393 C ALA A 94 87.822 0.645 0.069 1.00 1.00 C ATOM 1394 O ALA A 94 87.594 1.343 1.051 1.00 1.00 O ATOM 1395 CB ALA A 94 89.503 0.892 -1.748 1.00 1.00 C ATOM 0 H ALA A 94 89.768 -1.529 -1.205 1.00 1.00 H new ATOM 0 HA ALA A 94 89.965 0.775 0.326 1.00 1.00 H new ATOM 0 HB1 ALA A 94 89.396 1.976 -1.727 1.00 1.00 H new ATOM 0 HB2 ALA A 94 90.515 0.634 -2.061 1.00 1.00 H new ATOM 0 HB3 ALA A 94 88.786 0.470 -2.453 1.00 1.00 H new ATOM 1401 N ARG A 95 86.880 0.086 -0.655 1.00 1.00 N ATOM 1402 CA ARG A 95 85.490 0.266 -0.324 1.00 1.00 C ATOM 1403 C ARG A 95 85.261 -0.264 1.083 1.00 1.00 C ATOM 1404 O ARG A 95 84.400 0.230 1.807 1.00 1.00 O ATOM 1405 CB ARG A 95 84.640 -0.540 -1.295 1.00 1.00 C ATOM 1406 CG ARG A 95 85.006 -0.141 -2.724 1.00 1.00 C ATOM 1407 CD ARG A 95 84.261 -1.039 -3.707 1.00 1.00 C ATOM 1408 NE ARG A 95 84.577 -0.663 -5.080 1.00 1.00 N ATOM 1409 CZ ARG A 95 83.899 0.293 -5.703 1.00 1.00 C ATOM 1410 NH1 ARG A 95 82.919 0.894 -5.089 1.00 1.00 N ATOM 1411 NH2 ARG A 95 84.209 0.627 -6.927 1.00 1.00 N ATOM 0 H ARG A 95 87.053 -0.496 -1.475 1.00 1.00 H new ATOM 0 HA ARG A 95 85.221 1.321 -0.384 1.00 1.00 H new ATOM 0 HB2 ARG A 95 84.808 -1.607 -1.147 1.00 1.00 H new ATOM 0 HB3 ARG A 95 83.581 -0.356 -1.112 1.00 1.00 H new ATOM 0 HG2 ARG A 95 84.747 0.903 -2.900 1.00 1.00 H new ATOM 0 HG3 ARG A 95 86.082 -0.232 -2.875 1.00 1.00 H new ATOM 0 HD2 ARG A 95 84.534 -2.080 -3.537 1.00 1.00 H new ATOM 0 HD3 ARG A 95 83.187 -0.960 -3.540 1.00 1.00 H new ATOM 0 HE ARG A 95 85.332 -1.143 -5.570 1.00 1.00 H new ATOM 0 HH11 ARG A 95 82.676 0.629 -4.134 1.00 1.00 H new ATOM 0 HH12 ARG A 95 82.395 1.629 -5.563 1.00 1.00 H new ATOM 0 HH21 ARG A 95 84.974 0.153 -7.407 1.00 1.00 H new ATOM 0 HH22 ARG A 95 83.686 1.362 -7.403 1.00 1.00 H new ATOM 1425 N ALA A 96 86.026 -1.305 1.460 1.00 1.00 N ATOM 1426 CA ALA A 96 85.830 -1.882 2.806 1.00 1.00 C ATOM 1427 C ALA A 96 85.995 -0.763 3.785 1.00 1.00 C ATOM 1428 O ALA A 96 85.184 -0.575 4.659 1.00 1.00 O ATOM 1429 CB ALA A 96 86.775 -3.032 3.144 1.00 1.00 C ATOM 0 H ALA A 96 86.748 -1.745 0.889 1.00 1.00 H new ATOM 0 HA ALA A 96 84.835 -2.326 2.846 1.00 1.00 H new ATOM 0 HB1 ALA A 96 86.561 -3.395 4.149 1.00 1.00 H new ATOM 0 HB2 ALA A 96 86.633 -3.842 2.428 1.00 1.00 H new ATOM 0 HB3 ALA A 96 87.806 -2.682 3.096 1.00 1.00 H new ATOM 1435 N LEU A 97 87.089 -0.037 3.614 1.00 1.00 N ATOM 1436 CA LEU A 97 87.390 1.096 4.499 1.00 1.00 C ATOM 1437 C LEU A 97 86.027 1.792 4.842 1.00 1.00 C ATOM 1438 O LEU A 97 85.808 2.325 5.952 1.00 1.00 O ATOM 1439 CB LEU A 97 88.346 2.056 3.752 1.00 1.00 C ATOM 1440 CG LEU A 97 89.022 3.071 4.730 1.00 1.00 C ATOM 1441 CD1 LEU A 97 90.555 3.001 4.623 1.00 1.00 C ATOM 1442 CD2 LEU A 97 88.590 4.498 4.374 1.00 1.00 C ATOM 0 H LEU A 97 87.780 -0.203 2.882 1.00 1.00 H new ATOM 0 HA LEU A 97 87.876 0.784 5.423 1.00 1.00 H new ATOM 0 HB2 LEU A 97 89.114 1.478 3.238 1.00 1.00 H new ATOM 0 HB3 LEU A 97 87.792 2.600 2.988 1.00 1.00 H new ATOM 0 HG LEU A 97 88.714 2.813 5.743 1.00 1.00 H new ATOM 0 HD11 LEU A 97 91.001 3.717 5.313 1.00 1.00 H new ATOM 0 HD12 LEU A 97 90.892 1.995 4.875 1.00 1.00 H new ATOM 0 HD13 LEU A 97 90.860 3.241 3.604 1.00 1.00 H new ATOM 0 HD21 LEU A 97 89.063 5.203 5.058 1.00 1.00 H new ATOM 0 HD22 LEU A 97 88.893 4.725 3.352 1.00 1.00 H new ATOM 0 HD23 LEU A 97 87.507 4.582 4.459 1.00 1.00 H new ATOM 1454 N GLY A 98 85.058 1.636 3.911 1.00 1.00 N ATOM 1455 CA GLY A 98 83.691 2.116 4.156 1.00 1.00 C ATOM 1456 C GLY A 98 82.860 1.066 4.937 1.00 1.00 C ATOM 1457 O GLY A 98 82.288 1.316 6.022 1.00 1.00 O ATOM 0 H GLY A 98 85.198 1.191 3.004 1.00 1.00 H new ATOM 0 HA2 GLY A 98 83.726 3.048 4.719 1.00 1.00 H new ATOM 0 HA3 GLY A 98 83.204 2.336 3.206 1.00 1.00 H new ATOM 1461 N GLN A 99 82.851 -0.147 4.399 1.00 1.00 N ATOM 1462 CA GLN A 99 82.172 -1.263 4.999 1.00 1.00 C ATOM 1463 C GLN A 99 83.020 -1.825 6.133 1.00 1.00 C ATOM 1464 O GLN A 99 82.696 -2.871 6.690 1.00 1.00 O ATOM 1465 CB GLN A 99 81.830 -2.339 3.966 1.00 1.00 C ATOM 1466 CG GLN A 99 80.623 -1.899 3.132 1.00 1.00 C ATOM 1467 CD GLN A 99 80.272 -2.982 2.115 1.00 1.00 C ATOM 1468 OE1 GLN A 99 81.115 -3.953 1.897 1.00 1.00 O flip ATOM 1469 NE2 GLN A 99 79.203 -2.946 1.506 1.00 1.00 N flip ATOM 0 H GLN A 99 83.323 -0.375 3.524 1.00 1.00 H new ATOM 0 HA GLN A 99 81.224 -0.915 5.409 1.00 1.00 H new ATOM 0 HB2 GLN A 99 82.687 -2.516 3.316 1.00 1.00 H new ATOM 0 HB3 GLN A 99 81.611 -3.281 4.469 1.00 1.00 H new ATOM 0 HG2 GLN A 99 79.770 -1.709 3.783 1.00 1.00 H new ATOM 0 HG3 GLN A 99 80.846 -0.964 2.618 1.00 1.00 H new ATOM 0 HE21 GLN A 99 78.544 -2.186 1.677 1.00 1.00 H new ATOM 0 HE22 GLN A 99 78.976 -3.676 0.830 1.00 1.00 H new ATOM 1478 N ILE A 100 84.106 -1.122 6.473 1.00 1.00 N ATOM 1479 CA ILE A 100 84.981 -1.556 7.539 1.00 1.00 C ATOM 1480 C ILE A 100 84.184 -1.613 8.790 1.00 1.00 C ATOM 1481 O ILE A 100 84.190 -2.621 9.490 1.00 1.00 O ATOM 1482 CB ILE A 100 86.127 -0.564 7.730 1.00 1.00 C ATOM 1483 CG1 ILE A 100 87.059 -1.031 8.852 1.00 1.00 C ATOM 1484 CG2 ILE A 100 85.568 0.812 8.116 1.00 1.00 C ATOM 1485 CD1 ILE A 100 88.389 -0.279 8.731 1.00 1.00 C ATOM 0 H ILE A 100 84.390 -0.253 6.020 1.00 1.00 H new ATOM 0 HA ILE A 100 85.401 -2.531 7.292 1.00 1.00 H new ATOM 0 HB ILE A 100 86.679 -0.501 6.792 1.00 1.00 H new ATOM 0 HG12 ILE A 100 86.605 -0.841 9.824 1.00 1.00 H new ATOM 0 HG13 ILE A 100 87.225 -2.106 8.782 1.00 1.00 H new ATOM 0 HG21 ILE A 100 86.391 1.514 8.251 1.00 1.00 H new ATOM 0 HG22 ILE A 100 84.909 1.172 7.326 1.00 1.00 H new ATOM 0 HG23 ILE A 100 85.006 0.729 9.046 1.00 1.00 H new ATOM 0 HD11 ILE A 100 89.063 -0.602 9.524 1.00 1.00 H new ATOM 0 HD12 ILE A 100 88.841 -0.492 7.762 1.00 1.00 H new ATOM 0 HD13 ILE A 100 88.211 0.793 8.820 1.00 1.00 H new ATOM 1497 N VAL A 101 83.456 -0.553 9.094 1.00 1.00 N ATOM 1498 CA VAL A 101 82.650 -0.644 10.301 1.00 1.00 C ATOM 1499 C VAL A 101 81.684 -1.804 10.127 1.00 1.00 C ATOM 1500 O VAL A 101 81.589 -2.704 10.974 1.00 1.00 O ATOM 1501 CB VAL A 101 81.852 0.652 10.547 1.00 1.00 C ATOM 1502 CG1 VAL A 101 80.718 0.395 11.556 1.00 1.00 C ATOM 1503 CG2 VAL A 101 82.789 1.709 11.116 1.00 1.00 C ATOM 0 H VAL A 101 83.403 0.320 8.569 1.00 1.00 H new ATOM 0 HA VAL A 101 83.305 -0.797 11.159 1.00 1.00 H new ATOM 0 HB VAL A 101 81.422 0.992 9.605 1.00 1.00 H new ATOM 0 HG11 VAL A 101 80.162 1.318 11.721 1.00 1.00 H new ATOM 0 HG12 VAL A 101 80.046 -0.368 11.162 1.00 1.00 H new ATOM 0 HG13 VAL A 101 81.142 0.053 12.500 1.00 1.00 H new ATOM 0 HG21 VAL A 101 82.234 2.630 11.293 1.00 1.00 H new ATOM 0 HG22 VAL A 101 83.211 1.353 12.056 1.00 1.00 H new ATOM 0 HG23 VAL A 101 83.594 1.902 10.407 1.00 1.00 H new ATOM 1513 N CYS A 102 80.904 -1.726 9.062 1.00 1.00 N ATOM 1514 CA CYS A 102 79.880 -2.724 8.834 1.00 1.00 C ATOM 1515 C CYS A 102 80.447 -4.141 9.039 1.00 1.00 C ATOM 1516 O CYS A 102 79.820 -4.981 9.694 1.00 1.00 O ATOM 1517 CB CYS A 102 79.340 -2.548 7.403 1.00 1.00 C ATOM 1518 SG CYS A 102 78.669 -4.101 6.741 1.00 1.00 S ATOM 0 H CYS A 102 80.960 -0.994 8.354 1.00 1.00 H new ATOM 0 HA CYS A 102 79.068 -2.593 9.550 1.00 1.00 H new ATOM 0 HB2 CYS A 102 78.562 -1.785 7.399 1.00 1.00 H new ATOM 0 HB3 CYS A 102 80.140 -2.191 6.754 1.00 1.00 H new ATOM 1523 N ARG A 103 81.700 -4.282 8.586 1.00 1.00 N ATOM 1524 CA ARG A 103 82.510 -5.526 8.718 1.00 1.00 C ATOM 1525 C ARG A 103 82.840 -5.885 10.176 1.00 1.00 C ATOM 1526 O ARG A 103 82.525 -6.980 10.649 1.00 1.00 O ATOM 1527 CB ARG A 103 83.838 -5.358 7.930 1.00 1.00 C ATOM 1528 CG ARG A 103 84.785 -6.588 8.063 1.00 1.00 C ATOM 1529 CD ARG A 103 86.231 -6.195 7.691 1.00 1.00 C ATOM 1530 NE ARG A 103 87.037 -6.114 8.902 1.00 1.00 N ATOM 1531 CZ ARG A 103 88.329 -5.814 8.854 1.00 1.00 C ATOM 1532 NH1 ARG A 103 88.893 -5.526 7.711 1.00 1.00 N ATOM 1533 NH2 ARG A 103 89.030 -5.812 9.955 1.00 1.00 N ATOM 0 H ARG A 103 82.197 -3.530 8.109 1.00 1.00 H new ATOM 0 HA ARG A 103 81.907 -6.339 8.314 1.00 1.00 H new ATOM 0 HB2 ARG A 103 83.611 -5.194 6.877 1.00 1.00 H new ATOM 0 HB3 ARG A 103 84.356 -4.468 8.287 1.00 1.00 H new ATOM 0 HG2 ARG A 103 84.756 -6.969 9.084 1.00 1.00 H new ATOM 0 HG3 ARG A 103 84.441 -7.392 7.413 1.00 1.00 H new ATOM 0 HD2 ARG A 103 86.655 -6.930 7.007 1.00 1.00 H new ATOM 0 HD3 ARG A 103 86.237 -5.236 7.172 1.00 1.00 H new ATOM 0 HE ARG A 103 86.599 -6.292 9.806 1.00 1.00 H new ATOM 0 HH11 ARG A 103 88.340 -5.531 6.854 1.00 1.00 H new ATOM 0 HH12 ARG A 103 89.886 -5.296 7.676 1.00 1.00 H new ATOM 0 HH21 ARG A 103 88.584 -6.040 10.844 1.00 1.00 H new ATOM 0 HH22 ARG A 103 90.023 -5.583 9.927 1.00 1.00 H new ATOM 1547 N TYR A 104 83.429 -4.947 10.877 1.00 1.00 N ATOM 1548 CA TYR A 104 83.820 -5.040 12.278 1.00 1.00 C ATOM 1549 C TYR A 104 82.687 -4.479 13.102 1.00 1.00 C ATOM 1550 O TYR A 104 82.897 -3.942 14.188 1.00 1.00 O ATOM 1551 CB TYR A 104 85.160 -4.332 12.557 1.00 1.00 C ATOM 1552 CG TYR A 104 85.361 -4.218 14.057 1.00 1.00 C ATOM 1553 CD1 TYR A 104 85.628 -5.362 14.826 1.00 1.00 C ATOM 1554 CD2 TYR A 104 85.220 -2.974 14.688 1.00 1.00 C ATOM 1555 CE1 TYR A 104 85.750 -5.259 16.221 1.00 1.00 C ATOM 1556 CE2 TYR A 104 85.353 -2.871 16.077 1.00 1.00 C ATOM 1557 CZ TYR A 104 85.612 -4.014 16.845 1.00 1.00 C ATOM 1558 OH TYR A 104 85.712 -3.919 18.219 1.00 1.00 O ATOM 0 H TYR A 104 83.666 -4.043 10.469 1.00 1.00 H new ATOM 0 HA TYR A 104 83.994 -6.081 12.550 1.00 1.00 H new ATOM 0 HB2 TYR A 104 85.981 -4.892 12.109 1.00 1.00 H new ATOM 0 HB3 TYR A 104 85.164 -3.342 12.101 1.00 1.00 H new ATOM 0 HD1 TYR A 104 85.740 -6.322 14.344 1.00 1.00 H new ATOM 0 HD2 TYR A 104 85.008 -2.093 14.100 1.00 1.00 H new ATOM 0 HE1 TYR A 104 85.950 -6.140 16.812 1.00 1.00 H new ATOM 0 HE2 TYR A 104 85.256 -1.909 16.558 1.00 1.00 H new ATOM 0 HH TYR A 104 85.593 -2.985 18.492 1.00 1.00 H new ATOM 1568 N GLY A 105 81.453 -4.633 12.640 1.00 1.00 N ATOM 1569 CA GLY A 105 80.320 -4.156 13.373 1.00 1.00 C ATOM 1570 C GLY A 105 79.094 -4.329 12.474 1.00 1.00 C ATOM 1571 O GLY A 105 78.974 -5.310 11.754 1.00 1.00 O ATOM 0 H GLY A 105 81.225 -5.088 11.756 1.00 1.00 H new ATOM 0 HA2 GLY A 105 80.199 -4.715 14.301 1.00 1.00 H new ATOM 0 HA3 GLY A 105 80.452 -3.109 13.647 1.00 1.00 H new ATOM 1575 N ALA A 106 78.228 -3.343 12.564 1.00 1.00 N ATOM 1576 CA ALA A 106 76.973 -3.205 11.814 1.00 1.00 C ATOM 1577 C ALA A 106 75.670 -3.380 12.625 1.00 1.00 C ATOM 1578 O ALA A 106 75.276 -4.497 12.955 1.00 1.00 O ATOM 1579 CB ALA A 106 76.920 -4.204 10.701 1.00 1.00 C ATOM 0 H ALA A 106 78.380 -2.560 13.200 1.00 1.00 H new ATOM 0 HA ALA A 106 77.002 -2.171 11.469 1.00 1.00 H new ATOM 0 HB1 ALA A 106 75.984 -4.090 10.154 1.00 1.00 H new ATOM 0 HB2 ALA A 106 77.758 -4.039 10.024 1.00 1.00 H new ATOM 0 HB3 ALA A 106 76.979 -5.211 11.113 1.00 1.00 H new ATOM 1585 N THR A 107 74.974 -2.258 12.852 1.00 1.00 N ATOM 1586 CA THR A 107 73.660 -2.294 13.523 1.00 1.00 C ATOM 1587 C THR A 107 72.596 -2.879 12.574 1.00 1.00 C ATOM 1588 O THR A 107 71.843 -3.758 12.949 1.00 1.00 O ATOM 1589 CB THR A 107 73.223 -0.904 13.971 1.00 1.00 C ATOM 1590 OG1 THR A 107 74.261 -0.309 14.732 1.00 1.00 O ATOM 1591 CG2 THR A 107 71.947 -1.019 14.810 1.00 1.00 C ATOM 0 H THR A 107 75.290 -1.325 12.587 1.00 1.00 H new ATOM 0 HA THR A 107 73.759 -2.926 14.405 1.00 1.00 H new ATOM 0 HB THR A 107 73.019 -0.280 13.101 1.00 1.00 H new ATOM 0 HG1 THR A 107 73.984 0.586 15.020 1.00 1.00 H new ATOM 0 HG21 THR A 107 71.632 -0.026 15.132 1.00 1.00 H new ATOM 0 HG22 THR A 107 71.158 -1.474 14.211 1.00 1.00 H new ATOM 0 HG23 THR A 107 72.142 -1.639 15.685 1.00 1.00 H new ATOM 1599 N VAL A 108 72.491 -2.342 11.368 1.00 1.00 N ATOM 1600 CA VAL A 108 71.471 -2.825 10.411 1.00 1.00 C ATOM 1601 C VAL A 108 71.674 -4.318 10.050 1.00 1.00 C ATOM 1602 O VAL A 108 70.728 -5.096 10.017 1.00 1.00 O ATOM 1603 CB VAL A 108 71.528 -1.983 9.135 1.00 1.00 C ATOM 1604 CG1 VAL A 108 72.923 -2.112 8.507 1.00 1.00 C ATOM 1605 CG2 VAL A 108 70.461 -2.478 8.145 1.00 1.00 C ATOM 0 H VAL A 108 73.081 -1.586 11.020 1.00 1.00 H new ATOM 0 HA VAL A 108 70.496 -2.726 10.889 1.00 1.00 H new ATOM 0 HB VAL A 108 71.334 -0.937 9.374 1.00 1.00 H new ATOM 0 HG11 VAL A 108 72.969 -1.514 7.597 1.00 1.00 H new ATOM 0 HG12 VAL A 108 73.674 -1.757 9.213 1.00 1.00 H new ATOM 0 HG13 VAL A 108 73.118 -3.157 8.265 1.00 1.00 H new ATOM 0 HG21 VAL A 108 70.502 -1.878 7.236 1.00 1.00 H new ATOM 0 HG22 VAL A 108 70.650 -3.523 7.899 1.00 1.00 H new ATOM 0 HG23 VAL A 108 69.474 -2.385 8.597 1.00 1.00 H new ATOM 1615 N ILE A 109 72.914 -4.691 9.756 1.00 1.00 N ATOM 1616 CA ILE A 109 73.214 -6.090 9.362 1.00 1.00 C ATOM 1617 C ILE A 109 72.370 -7.077 10.176 1.00 1.00 C ATOM 1618 O ILE A 109 71.630 -7.866 9.595 1.00 1.00 O ATOM 1619 CB ILE A 109 74.712 -6.444 9.546 1.00 1.00 C ATOM 1620 CG1 ILE A 109 75.512 -6.047 8.271 1.00 1.00 C ATOM 1621 CG2 ILE A 109 74.920 -7.956 9.851 1.00 1.00 C ATOM 1622 CD1 ILE A 109 76.932 -6.619 8.330 1.00 1.00 C ATOM 0 H ILE A 109 73.723 -4.070 9.778 1.00 1.00 H new ATOM 0 HA ILE A 109 72.967 -6.171 8.303 1.00 1.00 H new ATOM 0 HB ILE A 109 75.080 -5.880 10.403 1.00 1.00 H new ATOM 0 HG12 ILE A 109 75.000 -6.418 7.383 1.00 1.00 H new ATOM 0 HG13 ILE A 109 75.554 -4.961 8.184 1.00 1.00 H new ATOM 0 HG21 ILE A 109 75.984 -8.160 9.973 1.00 1.00 H new ATOM 0 HG22 ILE A 109 74.393 -8.218 10.769 1.00 1.00 H new ATOM 0 HG23 ILE A 109 74.529 -8.551 9.026 1.00 1.00 H new ATOM 0 HD11 ILE A 109 77.477 -6.332 7.431 1.00 1.00 H new ATOM 0 HD12 ILE A 109 77.446 -6.226 9.207 1.00 1.00 H new ATOM 0 HD13 ILE A 109 76.884 -7.706 8.394 1.00 1.00 H new ATOM 1634 N PRO A 110 72.474 -7.095 11.486 1.00 1.00 N ATOM 1635 CA PRO A 110 71.706 -8.069 12.297 1.00 1.00 C ATOM 1636 C PRO A 110 70.199 -7.978 12.036 1.00 1.00 C ATOM 1637 O PRO A 110 69.498 -8.940 12.292 1.00 1.00 O ATOM 1638 CB PRO A 110 72.081 -7.733 13.753 1.00 1.00 C ATOM 1639 CG PRO A 110 72.562 -6.331 13.695 1.00 1.00 C ATOM 1640 CD PRO A 110 73.289 -6.222 12.349 1.00 1.00 C ATOM 0 HA PRO A 110 71.951 -9.101 12.046 1.00 1.00 H new ATOM 0 HB2 PRO A 110 71.223 -7.832 14.417 1.00 1.00 H new ATOM 0 HB3 PRO A 110 72.854 -8.403 14.129 1.00 1.00 H new ATOM 0 HG2 PRO A 110 71.733 -5.626 13.755 1.00 1.00 H new ATOM 0 HG3 PRO A 110 73.232 -6.108 14.526 1.00 1.00 H new ATOM 0 HD2 PRO A 110 73.315 -5.196 11.982 1.00 1.00 H new ATOM 0 HD3 PRO A 110 74.322 -6.564 12.415 1.00 1.00 H new ATOM 1648 N ASN A 111 69.695 -6.840 11.523 1.00 1.00 N ATOM 1649 CA ASN A 111 68.256 -6.745 11.241 1.00 1.00 C ATOM 1650 C ASN A 111 67.877 -7.739 10.152 1.00 1.00 C ATOM 1651 O ASN A 111 67.123 -8.675 10.400 1.00 1.00 O ATOM 1652 CB ASN A 111 67.866 -5.341 10.774 1.00 1.00 C ATOM 1653 CG ASN A 111 67.994 -4.364 11.929 1.00 1.00 C ATOM 1654 OD1 ASN A 111 69.172 -4.074 12.403 1.00 1.00 O flip ATOM 1655 ND2 ASN A 111 66.986 -3.862 12.426 1.00 1.00 N flip ATOM 0 H ASN A 111 70.239 -6.006 11.303 1.00 1.00 H new ATOM 0 HA ASN A 111 67.725 -6.968 12.166 1.00 1.00 H new ATOM 0 HB2 ASN A 111 68.507 -5.030 9.949 1.00 1.00 H new ATOM 0 HB3 ASN A 111 66.843 -5.343 10.399 1.00 1.00 H new ATOM 0 HD21 ASN A 111 66.065 -4.091 12.052 1.00 1.00 H new ATOM 0 HD22 ASN A 111 67.072 -3.217 13.211 1.00 1.00 H new ATOM 1662 N ILE A 112 68.389 -7.533 8.934 1.00 1.00 N ATOM 1663 CA ILE A 112 68.055 -8.436 7.833 1.00 1.00 C ATOM 1664 C ILE A 112 68.171 -9.876 8.316 1.00 1.00 C ATOM 1665 O ILE A 112 67.507 -10.781 7.838 1.00 1.00 O ATOM 1666 CB ILE A 112 69.000 -8.200 6.621 1.00 1.00 C ATOM 1667 CG1 ILE A 112 68.967 -9.393 5.641 1.00 1.00 C ATOM 1668 CG2 ILE A 112 70.431 -8.007 7.112 1.00 1.00 C ATOM 1669 CD1 ILE A 112 69.571 -8.979 4.294 1.00 1.00 C ATOM 0 H ILE A 112 69.020 -6.769 8.691 1.00 1.00 H new ATOM 0 HA ILE A 112 67.033 -8.239 7.508 1.00 1.00 H new ATOM 0 HB ILE A 112 68.654 -7.308 6.099 1.00 1.00 H new ATOM 0 HG12 ILE A 112 69.525 -10.232 6.057 1.00 1.00 H new ATOM 0 HG13 ILE A 112 67.940 -9.731 5.500 1.00 1.00 H new ATOM 0 HG21 ILE A 112 71.089 -7.842 6.259 1.00 1.00 H new ATOM 0 HG22 ILE A 112 70.474 -7.144 7.776 1.00 1.00 H new ATOM 0 HG23 ILE A 112 70.753 -8.897 7.652 1.00 1.00 H new ATOM 0 HD11 ILE A 112 69.544 -9.825 3.608 1.00 1.00 H new ATOM 0 HD12 ILE A 112 68.995 -8.154 3.875 1.00 1.00 H new ATOM 0 HD13 ILE A 112 70.604 -8.663 4.440 1.00 1.00 H new ATOM 1681 N ASN A 113 69.012 -10.100 9.293 1.00 1.00 N ATOM 1682 CA ASN A 113 69.165 -11.431 9.824 1.00 1.00 C ATOM 1683 C ASN A 113 68.086 -11.704 10.869 1.00 1.00 C ATOM 1684 O ASN A 113 67.355 -12.675 10.827 1.00 1.00 O ATOM 1685 CB ASN A 113 70.558 -11.625 10.427 1.00 1.00 C ATOM 1686 CG ASN A 113 70.658 -13.002 11.071 1.00 1.00 C ATOM 1687 OD1 ASN A 113 70.652 -13.121 12.296 1.00 1.00 O ATOM 1688 ND2 ASN A 113 70.754 -14.060 10.309 1.00 1.00 N ATOM 0 H ASN A 113 69.595 -9.388 9.733 1.00 1.00 H new ATOM 0 HA ASN A 113 69.053 -12.143 9.006 1.00 1.00 H new ATOM 0 HB2 ASN A 113 71.317 -11.521 9.652 1.00 1.00 H new ATOM 0 HB3 ASN A 113 70.753 -10.852 11.170 1.00 1.00 H new ATOM 0 HD21 ASN A 113 70.824 -14.987 10.729 1.00 1.00 H new ATOM 0 HD22 ASN A 113 70.759 -13.959 9.294 1.00 1.00 H new ATOM 1695 N ALA A 114 68.001 -10.823 11.814 1.00 1.00 N ATOM 1696 CA ALA A 114 67.035 -11.007 12.860 1.00 1.00 C ATOM 1697 C ALA A 114 65.634 -11.152 12.267 1.00 1.00 C ATOM 1698 O ALA A 114 64.972 -12.191 12.434 1.00 1.00 O ATOM 1699 CB ALA A 114 67.086 -9.797 13.796 1.00 1.00 C ATOM 0 H ALA A 114 68.575 -9.983 11.888 1.00 1.00 H new ATOM 0 HA ALA A 114 67.267 -11.915 13.417 1.00 1.00 H new ATOM 0 HB1 ALA A 114 66.356 -9.925 14.596 1.00 1.00 H new ATOM 0 HB2 ALA A 114 68.084 -9.711 14.226 1.00 1.00 H new ATOM 0 HB3 ALA A 114 66.854 -8.892 13.234 1.00 1.00 H new ATOM 1705 N ALA A 115 65.217 -10.139 11.520 1.00 1.00 N ATOM 1706 CA ALA A 115 63.901 -10.144 10.890 1.00 1.00 C ATOM 1707 C ALA A 115 63.818 -10.968 9.598 1.00 1.00 C ATOM 1708 O ALA A 115 62.989 -11.890 9.475 1.00 1.00 O ATOM 1709 CB ALA A 115 63.502 -8.694 10.592 1.00 1.00 C ATOM 0 H ALA A 115 65.770 -9.302 11.335 1.00 1.00 H new ATOM 0 HA ALA A 115 63.218 -10.623 11.592 1.00 1.00 H new ATOM 0 HB1 ALA A 115 62.520 -8.677 10.120 1.00 1.00 H new ATOM 0 HB2 ALA A 115 63.468 -8.127 11.523 1.00 1.00 H new ATOM 0 HB3 ALA A 115 64.235 -8.246 9.921 1.00 1.00 H new ATOM 1715 N ILE A 116 64.614 -10.622 8.596 1.00 1.00 N ATOM 1716 CA ILE A 116 64.466 -11.329 7.333 1.00 1.00 C ATOM 1717 C ILE A 116 64.902 -12.798 7.412 1.00 1.00 C ATOM 1718 O ILE A 116 64.168 -13.673 6.992 1.00 1.00 O ATOM 1719 CB ILE A 116 65.241 -10.578 6.236 1.00 1.00 C ATOM 1720 CG1 ILE A 116 64.382 -9.448 5.652 1.00 1.00 C ATOM 1721 CG2 ILE A 116 65.687 -11.536 5.121 1.00 1.00 C ATOM 1722 CD1 ILE A 116 65.257 -8.558 4.767 1.00 1.00 C ATOM 0 H ILE A 116 65.331 -9.897 8.625 1.00 1.00 H new ATOM 0 HA ILE A 116 63.404 -11.349 7.086 1.00 1.00 H new ATOM 0 HB ILE A 116 66.132 -10.145 6.690 1.00 1.00 H new ATOM 0 HG12 ILE A 116 63.559 -9.864 5.070 1.00 1.00 H new ATOM 0 HG13 ILE A 116 63.939 -8.859 6.455 1.00 1.00 H new ATOM 0 HG21 ILE A 116 66.232 -10.979 4.359 1.00 1.00 H new ATOM 0 HG22 ILE A 116 66.334 -12.306 5.540 1.00 1.00 H new ATOM 0 HG23 ILE A 116 64.811 -12.004 4.671 1.00 1.00 H new ATOM 0 HD11 ILE A 116 64.652 -7.753 4.349 1.00 1.00 H new ATOM 0 HD12 ILE A 116 66.064 -8.133 5.364 1.00 1.00 H new ATOM 0 HD13 ILE A 116 65.679 -9.153 3.957 1.00 1.00 H new ATOM 1734 N GLU A 117 66.132 -13.042 7.842 1.00 1.00 N ATOM 1735 CA GLU A 117 66.683 -14.407 7.834 1.00 1.00 C ATOM 1736 C GLU A 117 65.628 -15.404 8.247 1.00 1.00 C ATOM 1737 O GLU A 117 65.232 -16.262 7.427 1.00 1.00 O ATOM 1738 CB GLU A 117 67.961 -14.526 8.718 1.00 1.00 C ATOM 1739 CG GLU A 117 68.193 -15.950 9.337 1.00 1.00 C ATOM 1740 CD GLU A 117 68.022 -15.932 10.864 1.00 1.00 C ATOM 1741 OE1 GLU A 117 67.349 -15.046 11.368 1.00 1.00 O ATOM 1742 OE2 GLU A 117 68.566 -16.815 11.509 1.00 1.00 O ATOM 0 H GLU A 117 66.768 -12.328 8.198 1.00 1.00 H new ATOM 0 HA GLU A 117 66.989 -14.637 6.813 1.00 1.00 H new ATOM 0 HB2 GLU A 117 68.830 -14.259 8.116 1.00 1.00 H new ATOM 0 HB3 GLU A 117 67.897 -13.798 9.527 1.00 1.00 H new ATOM 0 HG2 GLU A 117 67.489 -16.658 8.899 1.00 1.00 H new ATOM 0 HG3 GLU A 117 69.195 -16.299 9.086 1.00 1.00 H new ATOM 1749 N VAL A 118 65.177 -15.328 9.496 1.00 1.00 N ATOM 1750 CA VAL A 118 64.182 -16.277 9.944 1.00 1.00 C ATOM 1751 C VAL A 118 63.093 -16.418 8.891 1.00 1.00 C ATOM 1752 O VAL A 118 62.387 -17.430 8.867 1.00 1.00 O ATOM 1753 CB VAL A 118 63.593 -15.818 11.295 1.00 1.00 C ATOM 1754 CG1 VAL A 118 62.160 -16.341 11.476 1.00 1.00 C ATOM 1755 CG2 VAL A 118 64.458 -16.355 12.442 1.00 1.00 C ATOM 0 H VAL A 118 65.476 -14.642 10.189 1.00 1.00 H new ATOM 0 HA VAL A 118 64.646 -17.253 10.088 1.00 1.00 H new ATOM 0 HB VAL A 118 63.579 -14.728 11.305 1.00 1.00 H new ATOM 0 HG11 VAL A 118 61.768 -16.004 12.436 1.00 1.00 H new ATOM 0 HG12 VAL A 118 61.530 -15.960 10.672 1.00 1.00 H new ATOM 0 HG13 VAL A 118 62.164 -17.431 11.449 1.00 1.00 H new ATOM 0 HG21 VAL A 118 64.041 -16.030 13.395 1.00 1.00 H new ATOM 0 HG22 VAL A 118 64.475 -17.444 12.406 1.00 1.00 H new ATOM 0 HG23 VAL A 118 65.474 -15.973 12.341 1.00 1.00 H new ATOM 1765 N LEU A 119 62.987 -15.444 7.972 1.00 1.00 N ATOM 1766 CA LEU A 119 62.018 -15.530 6.889 1.00 1.00 C ATOM 1767 C LEU A 119 62.577 -16.255 5.653 1.00 1.00 C ATOM 1768 O LEU A 119 61.948 -17.190 5.153 1.00 1.00 O ATOM 1769 CB LEU A 119 61.566 -14.124 6.488 1.00 1.00 C ATOM 1770 CG LEU A 119 60.193 -14.160 5.799 1.00 1.00 C ATOM 1771 CD1 LEU A 119 59.630 -12.743 5.805 1.00 1.00 C ATOM 1772 CD2 LEU A 119 60.327 -14.659 4.346 1.00 1.00 C ATOM 0 H LEU A 119 63.559 -14.599 7.964 1.00 1.00 H new ATOM 0 HA LEU A 119 61.174 -16.112 7.259 1.00 1.00 H new ATOM 0 HB2 LEU A 119 61.516 -13.489 7.372 1.00 1.00 H new ATOM 0 HB3 LEU A 119 62.301 -13.680 5.817 1.00 1.00 H new ATOM 0 HG LEU A 119 59.530 -14.843 6.330 1.00 1.00 H new ATOM 0 HD11 LEU A 119 58.653 -12.737 5.321 1.00 1.00 H new ATOM 0 HD12 LEU A 119 59.527 -12.397 6.833 1.00 1.00 H new ATOM 0 HD13 LEU A 119 60.306 -12.081 5.265 1.00 1.00 H new ATOM 0 HD21 LEU A 119 59.344 -14.677 3.875 1.00 1.00 H new ATOM 0 HD22 LEU A 119 60.983 -13.989 3.790 1.00 1.00 H new ATOM 0 HD23 LEU A 119 60.749 -15.664 4.344 1.00 1.00 H new ATOM 1784 N GLY A 120 63.739 -15.787 5.107 1.00 1.00 N ATOM 1785 CA GLY A 120 64.263 -16.392 3.874 1.00 1.00 C ATOM 1786 C GLY A 120 65.267 -17.508 4.113 1.00 1.00 C ATOM 1787 O GLY A 120 66.283 -17.568 3.427 1.00 1.00 O ATOM 0 H GLY A 120 64.299 -15.026 5.491 1.00 1.00 H new ATOM 0 HA2 GLY A 120 63.430 -16.785 3.291 1.00 1.00 H new ATOM 0 HA3 GLY A 120 64.735 -15.615 3.272 1.00 1.00 H new ATOM 1791 N THR A 121 64.951 -18.399 5.049 1.00 1.00 N ATOM 1792 CA THR A 121 65.789 -19.570 5.373 1.00 1.00 C ATOM 1793 C THR A 121 67.023 -19.127 6.140 1.00 1.00 C ATOM 1794 O THR A 121 67.586 -19.875 6.940 1.00 1.00 O ATOM 1795 CB THR A 121 66.156 -20.363 4.095 1.00 1.00 C ATOM 1796 OG1 THR A 121 64.976 -20.944 3.555 1.00 1.00 O ATOM 1797 CG2 THR A 121 67.143 -21.479 4.435 1.00 1.00 C ATOM 0 H THR A 121 64.103 -18.336 5.612 1.00 1.00 H new ATOM 0 HA THR A 121 65.220 -20.247 6.011 1.00 1.00 H new ATOM 0 HB THR A 121 66.611 -19.685 3.373 1.00 1.00 H new ATOM 0 HG1 THR A 121 65.200 -21.447 2.744 1.00 1.00 H new ATOM 0 HG21 THR A 121 67.395 -22.031 3.529 1.00 1.00 H new ATOM 0 HG22 THR A 121 68.049 -21.047 4.860 1.00 1.00 H new ATOM 0 HG23 THR A 121 66.691 -22.157 5.159 1.00 1.00 H new ATOM 1805 N GLY A 122 67.420 -17.896 5.883 1.00 1.00 N ATOM 1806 CA GLY A 122 68.571 -17.250 6.496 1.00 1.00 C ATOM 1807 C GLY A 122 69.707 -17.138 5.508 1.00 1.00 C ATOM 1808 O GLY A 122 70.453 -16.161 5.557 1.00 1.00 O ATOM 0 H GLY A 122 66.934 -17.294 5.218 1.00 1.00 H new ATOM 0 HA2 GLY A 122 68.292 -16.258 6.851 1.00 1.00 H new ATOM 0 HA3 GLY A 122 68.894 -17.821 7.367 1.00 1.00 H new ATOM 1812 N THR A 123 69.875 -18.137 4.644 1.00 1.00 N ATOM 1813 CA THR A 123 70.975 -18.135 3.677 1.00 1.00 C ATOM 1814 C THR A 123 71.358 -16.732 3.238 1.00 1.00 C ATOM 1815 O THR A 123 70.747 -16.154 2.337 1.00 1.00 O ATOM 1816 CB THR A 123 70.572 -18.943 2.437 1.00 1.00 C ATOM 1817 OG1 THR A 123 70.216 -20.262 2.822 1.00 1.00 O ATOM 1818 CG2 THR A 123 71.747 -18.993 1.452 1.00 1.00 C ATOM 0 H THR A 123 69.268 -18.955 4.592 1.00 1.00 H new ATOM 0 HA THR A 123 71.837 -18.583 4.172 1.00 1.00 H new ATOM 0 HB THR A 123 69.718 -18.465 1.957 1.00 1.00 H new ATOM 0 HG1 THR A 123 69.957 -20.776 2.029 1.00 1.00 H new ATOM 0 HG21 THR A 123 71.459 -19.567 0.571 1.00 1.00 H new ATOM 0 HG22 THR A 123 72.014 -17.980 1.153 1.00 1.00 H new ATOM 0 HG23 THR A 123 72.603 -19.468 1.931 1.00 1.00 H new ATOM 1826 N ASP A 124 72.420 -16.212 3.855 1.00 1.00 N ATOM 1827 CA ASP A 124 72.949 -14.906 3.512 1.00 1.00 C ATOM 1828 C ASP A 124 74.478 -14.972 3.609 1.00 1.00 C ATOM 1829 O ASP A 124 75.029 -15.668 4.461 1.00 1.00 O ATOM 1830 CB ASP A 124 72.382 -13.826 4.446 1.00 1.00 C ATOM 1831 CG ASP A 124 72.885 -14.024 5.869 1.00 1.00 C ATOM 1832 OD1 ASP A 124 72.685 -15.102 6.403 1.00 1.00 O ATOM 1833 OD2 ASP A 124 73.453 -13.089 6.412 1.00 1.00 O ATOM 0 H ASP A 124 72.930 -16.686 4.601 1.00 1.00 H new ATOM 0 HA ASP A 124 72.655 -14.637 2.497 1.00 1.00 H new ATOM 0 HB2 ASP A 124 72.673 -12.839 4.087 1.00 1.00 H new ATOM 0 HB3 ASP A 124 71.293 -13.862 4.432 1.00 1.00 H new ATOM 1838 N TYR A 125 75.152 -14.276 2.707 1.00 1.00 N ATOM 1839 CA TYR A 125 76.607 -14.260 2.644 1.00 1.00 C ATOM 1840 C TYR A 125 77.085 -12.936 2.015 1.00 1.00 C ATOM 1841 O TYR A 125 76.426 -12.382 1.136 1.00 1.00 O ATOM 1842 CB TYR A 125 77.105 -15.466 1.790 1.00 1.00 C ATOM 1843 CG TYR A 125 77.888 -14.979 0.579 1.00 1.00 C ATOM 1844 CD1 TYR A 125 77.210 -14.413 -0.509 1.00 1.00 C ATOM 1845 CD2 TYR A 125 79.285 -15.059 0.568 1.00 1.00 C ATOM 1846 CE1 TYR A 125 77.930 -13.934 -1.610 1.00 1.00 C ATOM 1847 CE2 TYR A 125 80.006 -14.573 -0.532 1.00 1.00 C ATOM 1848 CZ TYR A 125 79.328 -14.011 -1.620 1.00 1.00 C ATOM 1849 OH TYR A 125 80.038 -13.530 -2.702 1.00 1.00 O ATOM 0 H TYR A 125 74.703 -13.702 1.993 1.00 1.00 H new ATOM 0 HA TYR A 125 77.015 -14.342 3.651 1.00 1.00 H new ATOM 0 HB2 TYR A 125 77.734 -16.115 2.399 1.00 1.00 H new ATOM 0 HB3 TYR A 125 76.254 -16.063 1.463 1.00 1.00 H new ATOM 0 HD1 TYR A 125 76.132 -14.346 -0.498 1.00 1.00 H new ATOM 0 HD2 TYR A 125 79.808 -15.495 1.407 1.00 1.00 H new ATOM 0 HE1 TYR A 125 77.407 -13.505 -2.452 1.00 1.00 H new ATOM 0 HE2 TYR A 125 81.084 -14.632 -0.540 1.00 1.00 H new ATOM 0 HH TYR A 125 80.133 -12.558 -2.625 1.00 1.00 H new ATOM 1859 N ARG A 126 78.257 -12.486 2.437 1.00 1.00 N ATOM 1860 CA ARG A 126 78.859 -11.271 1.880 1.00 1.00 C ATOM 1861 C ARG A 126 80.385 -11.376 1.928 1.00 1.00 C ATOM 1862 O ARG A 126 80.931 -12.066 2.788 1.00 1.00 O ATOM 1863 CB ARG A 126 78.388 -10.022 2.647 1.00 1.00 C ATOM 1864 CG ARG A 126 76.963 -9.623 2.233 1.00 1.00 C ATOM 1865 CD ARG A 126 76.927 -9.175 0.753 1.00 1.00 C ATOM 1866 NE ARG A 126 76.352 -10.226 -0.077 1.00 1.00 N ATOM 1867 CZ ARG A 126 75.039 -10.423 -0.118 1.00 1.00 C ATOM 1868 NH1 ARG A 126 74.255 -9.704 0.635 1.00 1.00 N ATOM 1869 NH2 ARG A 126 74.535 -11.337 -0.905 1.00 1.00 N ATOM 0 H ARG A 126 78.814 -12.939 3.162 1.00 1.00 H new ATOM 0 HA ARG A 126 78.539 -11.173 0.843 1.00 1.00 H new ATOM 0 HB2 ARG A 126 78.417 -10.217 3.719 1.00 1.00 H new ATOM 0 HB3 ARG A 126 79.071 -9.194 2.455 1.00 1.00 H new ATOM 0 HG2 ARG A 126 76.287 -10.466 2.379 1.00 1.00 H new ATOM 0 HG3 ARG A 126 76.607 -8.814 2.871 1.00 1.00 H new ATOM 0 HD2 ARG A 126 76.339 -8.262 0.656 1.00 1.00 H new ATOM 0 HD3 ARG A 126 77.936 -8.942 0.411 1.00 1.00 H new ATOM 0 HE ARG A 126 76.967 -10.819 -0.635 1.00 1.00 H new ATOM 0 HH11 ARG A 126 74.650 -8.994 1.252 1.00 1.00 H new ATOM 0 HH12 ARG A 126 73.246 -9.851 0.608 1.00 1.00 H new ATOM 0 HH21 ARG A 126 75.150 -11.902 -1.490 1.00 1.00 H new ATOM 0 HH22 ARG A 126 73.526 -11.485 -0.934 1.00 1.00 H new ATOM 1883 N PHE A 127 81.069 -10.683 1.012 1.00 1.00 N ATOM 1884 CA PHE A 127 82.536 -10.697 0.974 1.00 1.00 C ATOM 1885 C PHE A 127 83.065 -9.325 0.558 1.00 1.00 C ATOM 1886 O PHE A 127 84.181 -9.265 0.067 1.00 1.00 O ATOM 1887 CB PHE A 127 83.038 -11.754 -0.013 1.00 1.00 C ATOM 1888 CG PHE A 127 82.634 -11.368 -1.417 1.00 1.00 C ATOM 1889 CD1 PHE A 127 81.288 -11.419 -1.790 1.00 1.00 C ATOM 1890 CD2 PHE A 127 83.604 -10.962 -2.344 1.00 1.00 C ATOM 1891 CE1 PHE A 127 80.908 -11.066 -3.088 1.00 1.00 C ATOM 1892 CE2 PHE A 127 83.222 -10.608 -3.644 1.00 1.00 C ATOM 1893 CZ PHE A 127 81.874 -10.661 -4.017 1.00 1.00 C ATOM 1894 OXT PHE A 127 82.344 -8.355 0.732 1.00 1.00 O ATOM 0 H PHE A 127 80.634 -10.108 0.290 1.00 1.00 H new ATOM 0 HA PHE A 127 82.901 -10.940 1.972 1.00 1.00 H new ATOM 0 HB2 PHE A 127 84.122 -11.842 0.053 1.00 1.00 H new ATOM 0 HB3 PHE A 127 82.623 -12.729 0.241 1.00 1.00 H new ATOM 0 HD1 PHE A 127 80.541 -11.731 -1.075 1.00 1.00 H new ATOM 0 HD2 PHE A 127 84.644 -10.922 -2.056 1.00 1.00 H new ATOM 0 HE1 PHE A 127 79.868 -11.106 -3.375 1.00 1.00 H new ATOM 0 HE2 PHE A 127 83.968 -10.294 -4.359 1.00 1.00 H new ATOM 0 HZ PHE A 127 81.579 -10.390 -5.020 1.00 1.00 H new TER 1904 PHE A 127 HETATM 1905 O1 MTN A 128 66.727 4.503 -9.626 1.00 1.00 O HETATM 1906 N1 MTN A 128 66.076 4.301 -8.558 1.00 1.00 N HETATM 1907 C1 MTN A 128 65.239 3.086 -8.315 1.00 1.00 C HETATM 1908 C2 MTN A 128 64.763 3.365 -6.931 1.00 1.00 C HETATM 1909 C3 MTN A 128 65.188 4.514 -6.431 1.00 1.00 C HETATM 1910 C4 MTN A 128 64.847 5.042 -5.060 1.00 1.00 C HETATM 1911 S1 MTN A 128 66.275 5.366 -3.994 1.00 1.00 S HETATM 1912 C5 MTN A 128 66.074 5.281 -7.401 1.00 1.00 C HETATM 1913 C6 MTN A 128 65.481 6.648 -7.746 1.00 1.00 C HETATM 1914 C7 MTN A 128 67.496 5.438 -6.831 1.00 1.00 C HETATM 1915 C8 MTN A 128 64.045 2.981 -9.269 1.00 1.00 C HETATM 1916 C9 MTN A 128 66.065 1.817 -8.374 1.00 1.00 C HETATM 0 H93 MTN A 128 66.523 1.727 -9.359 1.00 1.00 H new HETATM 0 H92 MTN A 128 66.845 1.855 -7.613 1.00 1.00 H new HETATM 0 H91 MTN A 128 65.422 0.956 -8.193 1.00 1.00 H new HETATM 0 H83 MTN A 128 63.404 3.854 -9.147 1.00 1.00 H new HETATM 0 H82 MTN A 128 64.404 2.935 -10.297 1.00 1.00 H new HETATM 0 H81 MTN A 128 63.477 2.079 -9.043 1.00 1.00 H new HETATM 0 H73 MTN A 128 67.855 4.471 -6.478 1.00 1.00 H new HETATM 0 H72 MTN A 128 68.161 5.809 -7.610 1.00 1.00 H new HETATM 0 H71 MTN A 128 67.479 6.144 -6.001 1.00 1.00 H new HETATM 0 H63 MTN A 128 66.058 7.102 -8.551 1.00 1.00 H new HETATM 0 H62 MTN A 128 64.446 6.526 -8.066 1.00 1.00 H new HETATM 0 H61 MTN A 128 65.515 7.292 -6.867 1.00 1.00 H new HETATM 0 H42 MTN A 128 64.279 5.965 -5.173 1.00 1.00 H new HETATM 0 H41 MTN A 128 64.195 4.325 -4.562 1.00 1.00 H new HETATM 0 H2 MTN A 128 64.120 2.681 -6.378 1.00 1.00 H new HETATM 1932 O1 MTN A 129 71.282 -9.574 -5.585 1.00 1.00 O HETATM 1933 N1 MTN A 129 70.882 -8.678 -4.784 1.00 1.00 N HETATM 1934 C1 MTN A 129 69.612 -7.955 -4.963 1.00 1.00 C HETATM 1935 C2 MTN A 129 69.660 -7.061 -3.782 1.00 1.00 C HETATM 1936 C3 MTN A 129 70.743 -7.217 -3.040 1.00 1.00 C HETATM 1937 C4 MTN A 129 71.049 -6.448 -1.797 1.00 1.00 C HETATM 1938 S1 MTN A 129 71.877 -4.866 -2.091 1.00 1.00 S HETATM 1939 C5 MTN A 129 71.671 -8.281 -3.586 1.00 1.00 C HETATM 1940 C6 MTN A 129 73.072 -7.763 -3.897 1.00 1.00 C HETATM 1941 C7 MTN A 129 71.724 -9.476 -2.628 1.00 1.00 C HETATM 1942 C8 MTN A 129 69.551 -7.173 -6.271 1.00 1.00 C HETATM 1943 C9 MTN A 129 68.453 -8.931 -4.852 1.00 1.00 C HETATM 0 H93 MTN A 129 68.547 -9.696 -5.623 1.00 1.00 H new HETATM 0 H92 MTN A 129 68.467 -9.402 -3.869 1.00 1.00 H new HETATM 0 H91 MTN A 129 67.513 -8.396 -4.984 1.00 1.00 H new HETATM 0 H83 MTN A 129 70.356 -6.438 -6.294 1.00 1.00 H new HETATM 0 H82 MTN A 129 69.662 -7.859 -7.111 1.00 1.00 H new HETATM 0 H81 MTN A 129 68.591 -6.662 -6.345 1.00 1.00 H new HETATM 0 H73 MTN A 129 70.711 -9.752 -2.334 1.00 1.00 H new HETATM 0 H72 MTN A 129 72.200 -10.321 -3.126 1.00 1.00 H new HETATM 0 H71 MTN A 129 72.298 -9.207 -1.742 1.00 1.00 H new HETATM 0 H63 MTN A 129 73.641 -8.539 -4.409 1.00 1.00 H new HETATM 0 H62 MTN A 129 73.001 -6.883 -4.536 1.00 1.00 H new HETATM 0 H61 MTN A 129 73.576 -7.497 -2.968 1.00 1.00 H new HETATM 0 H42 MTN A 129 70.119 -6.265 -1.258 1.00 1.00 H new HETATM 0 H41 MTN A 129 71.677 -7.060 -1.150 1.00 1.00 H new HETATM 0 H2 MTN A 129 68.875 -6.342 -3.547 1.00 1.00 H new HETATM 1959 O1 MTN A 130 82.556 -10.512 6.311 1.00 1.00 O HETATM 1960 N1 MTN A 130 81.605 -9.676 6.355 1.00 1.00 N HETATM 1961 C1 MTN A 130 80.558 -9.700 7.397 1.00 1.00 C HETATM 1962 C2 MTN A 130 79.748 -8.536 6.973 1.00 1.00 C HETATM 1963 C3 MTN A 130 80.201 -7.915 5.900 1.00 1.00 C HETATM 1964 C4 MTN A 130 79.589 -6.666 5.318 1.00 1.00 C HETATM 1965 S1 MTN A 130 80.265 -5.116 6.002 1.00 1.00 S HETATM 1966 C5 MTN A 130 81.457 -8.578 5.347 1.00 1.00 C HETATM 1967 C6 MTN A 130 81.334 -9.085 3.929 1.00 1.00 C HETATM 1968 C7 MTN A 130 82.628 -7.620 5.461 1.00 1.00 C HETATM 1969 C8 MTN A 130 79.735 -10.987 7.398 1.00 1.00 C HETATM 1970 C9 MTN A 130 81.170 -9.445 8.762 1.00 1.00 C HETATM 0 H93 MTN A 130 81.907 -10.217 8.980 1.00 1.00 H new HETATM 0 H92 MTN A 130 81.655 -8.469 8.767 1.00 1.00 H new HETATM 0 H91 MTN A 130 80.388 -9.465 9.521 1.00 1.00 H new HETATM 0 H83 MTN A 130 79.240 -11.103 6.434 1.00 1.00 H new HETATM 0 H82 MTN A 130 80.392 -11.839 7.574 1.00 1.00 H new HETATM 0 H81 MTN A 130 78.985 -10.938 8.187 1.00 1.00 H new HETATM 0 H73 MTN A 130 82.651 -7.191 6.463 1.00 1.00 H new HETATM 0 H72 MTN A 130 83.558 -8.158 5.276 1.00 1.00 H new HETATM 0 H71 MTN A 130 82.518 -6.822 4.727 1.00 1.00 H new HETATM 0 H63 MTN A 130 82.226 -9.654 3.667 1.00 1.00 H new HETATM 0 H62 MTN A 130 80.457 -9.727 3.847 1.00 1.00 H new HETATM 0 H61 MTN A 130 81.230 -8.240 3.248 1.00 1.00 H new HETATM 0 H42 MTN A 130 79.739 -6.670 4.238 1.00 1.00 H new HETATM 0 H41 MTN A 130 78.513 -6.688 5.490 1.00 1.00 H new HETATM 0 H2 MTN A 130 78.851 -8.218 7.504 1.00 1.00 H new