USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 846 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 58 SER OG : rot -81:sc= 0.108 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -1.71 K(o=-1.6,f=-2.5) USER MOD Set 3.1: A 38 GLN : amide:sc= -0.472 X(o=-0.79,f=-0.81) USER MOD Set 3.2: A 42 MET CE :methyl 145:sc= -0.319 (180deg=-1.69) USER MOD Set 4.1: A 22 TYR OH : rot 62:sc= 1.67 USER MOD Set 4.2: A 55 TYR OH : rot 180:sc= 0.189 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 21:sc= 0.58 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -166:sc= -2.48 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -24:sc= 0.699 USER MOD Single : A 23 MET CE :methyl -153:sc= -1.8 (180deg=-2.4!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 40 HIS : no HE2:sc=-0.00161 X(o=-0.0016,f=-0.3) USER MOD Single : A 48 SER OG : rot 140:sc= -0.104 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0509 USER MOD Single : A 51 CYS SG : rot 19:sc= 0.357 USER MOD Single : A 60 SER OG : rot 95:sc= 0.191 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 63 SER OG : rot -54:sc= 0.345 USER MOD Single : A 71 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.3) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -4 K(o=-4,f=-12!) USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0193) USER MOD Single : A 83 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.4) USER MOD Single : A 87 HIS : no HD1:sc= -9.27! C(o=-9.3!,f=-12!) USER MOD Single : A 95 TYR OH : rot 120:sc= -0.0715 USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= 0.893 (180deg=0.722) USER MOD Single : A 98 HIS : no HE2:sc= -2.58! K(o=-2.6!,f=-4) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -41:sc= 0.0966 USER MOD Single : A 103 THR OG1 : rot 180:sc=-0.00397 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.00586 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.874 24.581 -30.945 1.00 0.00 N ATOM 2 CA GLY A 1 -2.860 23.596 -29.879 1.00 0.00 C ATOM 3 C GLY A 1 -3.596 24.070 -28.642 1.00 0.00 C ATOM 4 O GLY A 1 -3.258 25.105 -28.068 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.358 24.209 -31.768 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.857 24.785 -31.216 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.417 25.455 -30.616 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.314 22.672 -30.236 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.828 23.363 -29.617 1.00 0.00 H new ATOM 8 N SER A 2 -4.607 23.311 -28.230 1.00 0.00 N ATOM 9 CA SER A 2 -5.397 23.662 -27.055 1.00 0.00 C ATOM 10 C SER A 2 -5.028 22.777 -25.868 1.00 0.00 C ATOM 11 O SER A 2 -4.412 21.724 -26.032 1.00 0.00 O ATOM 12 CB SER A 2 -6.890 23.528 -27.361 1.00 0.00 C ATOM 13 OG SER A 2 -7.356 24.631 -28.120 1.00 0.00 O ATOM 0 H SER A 2 -4.898 22.450 -28.692 1.00 0.00 H new ATOM 0 HA SER A 2 -5.178 24.698 -26.795 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.071 22.603 -27.909 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.451 23.461 -26.429 1.00 0.00 H new ATOM 0 HG SER A 2 -8.312 24.521 -28.304 1.00 0.00 H new ATOM 19 N SER A 3 -5.410 23.214 -24.672 1.00 0.00 N ATOM 20 CA SER A 3 -5.116 22.465 -23.456 1.00 0.00 C ATOM 21 C SER A 3 -6.394 22.180 -22.672 1.00 0.00 C ATOM 22 O SER A 3 -7.463 22.692 -22.999 1.00 0.00 O ATOM 23 CB SER A 3 -4.130 23.239 -22.580 1.00 0.00 C ATOM 24 OG SER A 3 -2.900 23.442 -23.254 1.00 0.00 O ATOM 0 H SER A 3 -5.923 24.082 -24.519 1.00 0.00 H new ATOM 0 HA SER A 3 -4.666 21.515 -23.744 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.561 24.202 -22.305 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.955 22.692 -21.654 1.00 0.00 H new ATOM 0 HG SER A 3 -2.287 23.940 -22.674 1.00 0.00 H new ATOM 30 N GLY A 4 -6.273 21.356 -21.635 1.00 0.00 N ATOM 31 CA GLY A 4 -7.425 21.016 -20.820 1.00 0.00 C ATOM 32 C GLY A 4 -7.082 20.043 -19.709 1.00 0.00 C ATOM 33 O GLY A 4 -7.132 18.828 -19.902 1.00 0.00 O ATOM 0 H GLY A 4 -5.398 20.918 -21.345 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.841 21.926 -20.387 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.199 20.582 -21.453 1.00 0.00 H new ATOM 37 N SER A 5 -6.731 20.578 -18.544 1.00 0.00 N ATOM 38 CA SER A 5 -6.373 19.748 -17.400 1.00 0.00 C ATOM 39 C SER A 5 -7.090 20.223 -16.139 1.00 0.00 C ATOM 40 O SER A 5 -7.377 21.410 -15.985 1.00 0.00 O ATOM 41 CB SER A 5 -4.859 19.773 -17.179 1.00 0.00 C ATOM 42 OG SER A 5 -4.414 21.075 -16.843 1.00 0.00 O ATOM 0 H SER A 5 -6.687 21.582 -18.368 1.00 0.00 H new ATOM 0 HA SER A 5 -6.686 18.726 -17.612 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.593 19.078 -16.383 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.351 19.433 -18.082 1.00 0.00 H new ATOM 0 HG SER A 5 -3.444 21.064 -16.705 1.00 0.00 H new ATOM 48 N SER A 6 -7.375 19.287 -15.240 1.00 0.00 N ATOM 49 CA SER A 6 -8.061 19.608 -13.994 1.00 0.00 C ATOM 50 C SER A 6 -7.729 18.585 -12.912 1.00 0.00 C ATOM 51 O SER A 6 -7.509 17.409 -13.199 1.00 0.00 O ATOM 52 CB SER A 6 -9.573 19.657 -14.218 1.00 0.00 C ATOM 53 OG SER A 6 -9.963 20.889 -14.800 1.00 0.00 O ATOM 0 H SER A 6 -7.142 18.300 -15.351 1.00 0.00 H new ATOM 0 HA SER A 6 -7.718 20.588 -13.661 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.875 18.834 -14.866 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.089 19.521 -13.268 1.00 0.00 H new ATOM 0 HG SER A 6 -9.191 21.301 -15.242 1.00 0.00 H new ATOM 59 N GLY A 7 -7.694 19.043 -11.664 1.00 0.00 N ATOM 60 CA GLY A 7 -7.388 18.156 -10.556 1.00 0.00 C ATOM 61 C GLY A 7 -8.030 18.606 -9.259 1.00 0.00 C ATOM 62 O GLY A 7 -7.761 19.704 -8.774 1.00 0.00 O ATOM 0 H GLY A 7 -7.872 20.012 -11.400 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.729 17.149 -10.796 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.307 18.104 -10.424 1.00 0.00 H new ATOM 66 N MET A 8 -8.883 17.755 -8.697 1.00 0.00 N ATOM 67 CA MET A 8 -9.566 18.072 -7.448 1.00 0.00 C ATOM 68 C MET A 8 -8.996 17.253 -6.294 1.00 0.00 C ATOM 69 O MET A 8 -8.497 17.806 -5.314 1.00 0.00 O ATOM 70 CB MET A 8 -11.067 17.810 -7.582 1.00 0.00 C ATOM 71 CG MET A 8 -11.821 17.905 -6.265 1.00 0.00 C ATOM 72 SD MET A 8 -13.533 17.355 -6.403 1.00 0.00 S ATOM 73 CE MET A 8 -14.076 17.512 -4.704 1.00 0.00 C ATOM 0 H MET A 8 -9.117 16.842 -9.086 1.00 0.00 H new ATOM 0 HA MET A 8 -9.407 19.129 -7.234 1.00 0.00 H new ATOM 0 HB2 MET A 8 -11.491 18.526 -8.286 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.218 16.818 -8.007 1.00 0.00 H new ATOM 0 HG2 MET A 8 -11.310 17.303 -5.514 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.802 18.937 -5.914 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.120 17.208 -4.626 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.463 16.875 -4.066 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.976 18.549 -4.384 1.00 0.00 H new ATOM 83 N SER A 9 -9.075 15.931 -6.417 1.00 0.00 N ATOM 84 CA SER A 9 -8.570 15.036 -5.382 1.00 0.00 C ATOM 85 C SER A 9 -7.069 14.815 -5.540 1.00 0.00 C ATOM 86 O SER A 9 -6.602 14.375 -6.591 1.00 0.00 O ATOM 87 CB SER A 9 -9.304 13.695 -5.437 1.00 0.00 C ATOM 88 OG SER A 9 -10.696 13.866 -5.235 1.00 0.00 O ATOM 0 H SER A 9 -9.484 15.457 -7.222 1.00 0.00 H new ATOM 0 HA SER A 9 -8.750 15.501 -4.413 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.129 13.221 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.903 13.026 -4.676 1.00 0.00 H new ATOM 0 HG SER A 9 -11.142 12.994 -5.277 1.00 0.00 H new ATOM 94 N SER A 10 -6.318 15.122 -4.487 1.00 0.00 N ATOM 95 CA SER A 10 -4.869 14.961 -4.509 1.00 0.00 C ATOM 96 C SER A 10 -4.487 13.529 -4.871 1.00 0.00 C ATOM 97 O SER A 10 -3.722 13.297 -5.806 1.00 0.00 O ATOM 98 CB SER A 10 -4.273 15.331 -3.149 1.00 0.00 C ATOM 99 OG SER A 10 -4.672 16.632 -2.754 1.00 0.00 O ATOM 0 H SER A 10 -6.689 15.483 -3.608 1.00 0.00 H new ATOM 0 HA SER A 10 -4.465 15.630 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.592 14.606 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.185 15.280 -3.199 1.00 0.00 H new ATOM 0 HG SER A 10 -4.279 16.844 -1.881 1.00 0.00 H new ATOM 105 N ALA A 11 -5.027 12.572 -4.124 1.00 0.00 N ATOM 106 CA ALA A 11 -4.745 11.163 -4.366 1.00 0.00 C ATOM 107 C ALA A 11 -5.470 10.665 -5.613 1.00 0.00 C ATOM 108 O ALA A 11 -6.662 10.361 -5.569 1.00 0.00 O ATOM 109 CB ALA A 11 -5.140 10.329 -3.156 1.00 0.00 C ATOM 0 H ALA A 11 -5.663 12.747 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.673 11.056 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.924 9.279 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.574 10.660 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.206 10.450 -2.963 1.00 0.00 H new ATOM 115 N ARG A 12 -4.742 10.585 -6.722 1.00 0.00 N ATOM 116 CA ARG A 12 -5.317 10.125 -7.981 1.00 0.00 C ATOM 117 C ARG A 12 -4.465 9.018 -8.595 1.00 0.00 C ATOM 118 O ARG A 12 -3.545 9.284 -9.368 1.00 0.00 O ATOM 119 CB ARG A 12 -5.442 11.291 -8.964 1.00 0.00 C ATOM 120 CG ARG A 12 -6.258 10.958 -10.202 1.00 0.00 C ATOM 121 CD ARG A 12 -7.745 10.898 -9.890 1.00 0.00 C ATOM 122 NE ARG A 12 -8.540 10.575 -11.072 1.00 0.00 N ATOM 123 CZ ARG A 12 -9.846 10.336 -11.036 1.00 0.00 C ATOM 124 NH1 ARG A 12 -10.501 10.384 -9.884 1.00 0.00 N ATOM 125 NH2 ARG A 12 -10.500 10.050 -12.155 1.00 0.00 N ATOM 0 H ARG A 12 -3.754 10.832 -6.775 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.309 9.724 -7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.901 12.138 -8.454 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.444 11.606 -9.270 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.077 11.709 -10.971 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.931 10.000 -10.608 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.923 10.150 -9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.070 11.857 -9.486 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.066 10.531 -11.974 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.002 10.605 -9.022 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.504 10.200 -9.860 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.000 10.014 -13.043 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.503 9.867 -12.127 1.00 0.00 H new ATOM 139 N PHE A 13 -4.779 7.775 -8.245 1.00 0.00 N ATOM 140 CA PHE A 13 -4.042 6.627 -8.760 1.00 0.00 C ATOM 141 C PHE A 13 -4.904 5.368 -8.729 1.00 0.00 C ATOM 142 O PHE A 13 -5.765 5.214 -7.863 1.00 0.00 O ATOM 143 CB PHE A 13 -2.767 6.404 -7.944 1.00 0.00 C ATOM 144 CG PHE A 13 -3.027 6.082 -6.500 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.187 7.094 -5.568 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.113 4.766 -6.075 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.426 6.800 -4.239 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.353 4.465 -4.748 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.510 5.484 -3.829 1.00 0.00 C ATOM 0 H PHE A 13 -5.539 7.537 -7.607 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.772 6.836 -9.795 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.196 5.591 -8.392 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.147 7.299 -8.002 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.124 8.125 -5.884 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.991 3.966 -6.790 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.547 7.598 -3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.418 3.435 -4.430 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.698 5.252 -2.791 1.00 0.00 H new ATOM 159 N ASP A 14 -4.668 4.473 -9.682 1.00 0.00 N ATOM 160 CA ASP A 14 -5.422 3.228 -9.765 1.00 0.00 C ATOM 161 C ASP A 14 -4.885 2.200 -8.774 1.00 0.00 C ATOM 162 O ASP A 14 -3.899 1.515 -9.048 1.00 0.00 O ATOM 163 CB ASP A 14 -5.363 2.664 -11.185 1.00 0.00 C ATOM 164 CG ASP A 14 -6.007 3.587 -12.202 1.00 0.00 C ATOM 165 OD1 ASP A 14 -5.425 4.655 -12.486 1.00 0.00 O ATOM 166 OD2 ASP A 14 -7.092 3.240 -12.713 1.00 0.00 O ATOM 0 H ASP A 14 -3.960 4.587 -10.408 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.460 3.444 -9.511 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.323 2.492 -11.462 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.863 1.696 -11.209 1.00 0.00 H new ATOM 171 N SER A 15 -5.539 2.099 -7.621 1.00 0.00 N ATOM 172 CA SER A 15 -5.124 1.158 -6.587 1.00 0.00 C ATOM 173 C SER A 15 -5.204 -0.278 -7.095 1.00 0.00 C ATOM 174 O SER A 15 -4.600 -1.185 -6.523 1.00 0.00 O ATOM 175 CB SER A 15 -5.997 1.319 -5.341 1.00 0.00 C ATOM 176 OG SER A 15 -5.439 0.633 -4.234 1.00 0.00 O ATOM 0 H SER A 15 -6.358 2.657 -7.380 1.00 0.00 H new ATOM 0 HA SER A 15 -4.088 1.376 -6.327 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.102 2.377 -5.101 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.998 0.937 -5.543 1.00 0.00 H new ATOM 0 HG SER A 15 -6.109 0.561 -3.522 1.00 0.00 H new ATOM 182 N SER A 16 -5.953 -0.476 -8.175 1.00 0.00 N ATOM 183 CA SER A 16 -6.116 -1.802 -8.759 1.00 0.00 C ATOM 184 C SER A 16 -4.890 -2.188 -9.580 1.00 0.00 C ATOM 185 O SER A 16 -4.493 -3.353 -9.613 1.00 0.00 O ATOM 186 CB SER A 16 -7.367 -1.845 -9.639 1.00 0.00 C ATOM 187 OG SER A 16 -7.756 -3.180 -9.908 1.00 0.00 O ATOM 0 H SER A 16 -6.456 0.265 -8.663 1.00 0.00 H new ATOM 0 HA SER A 16 -6.228 -2.519 -7.946 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.182 -1.318 -9.143 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.174 -1.323 -10.576 1.00 0.00 H new ATOM 0 HG SER A 16 -8.558 -3.180 -10.471 1.00 0.00 H new ATOM 193 N ASP A 17 -4.294 -1.202 -10.241 1.00 0.00 N ATOM 194 CA ASP A 17 -3.111 -1.437 -11.062 1.00 0.00 C ATOM 195 C ASP A 17 -1.909 -1.791 -10.193 1.00 0.00 C ATOM 196 O ASP A 17 -1.220 -0.909 -9.680 1.00 0.00 O ATOM 197 CB ASP A 17 -2.799 -0.202 -11.909 1.00 0.00 C ATOM 198 CG ASP A 17 -1.730 -0.469 -12.950 1.00 0.00 C ATOM 199 OD1 ASP A 17 -0.795 -1.243 -12.656 1.00 0.00 O ATOM 200 OD2 ASP A 17 -1.830 0.094 -14.060 1.00 0.00 O ATOM 0 H ASP A 17 -4.610 -0.232 -10.225 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.318 -2.278 -11.723 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.709 0.134 -12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.473 0.609 -11.258 1.00 0.00 H new ATOM 205 N ARG A 18 -1.662 -3.087 -10.033 1.00 0.00 N ATOM 206 CA ARG A 18 -0.544 -3.558 -9.224 1.00 0.00 C ATOM 207 C ARG A 18 0.786 -3.117 -9.827 1.00 0.00 C ATOM 208 O ARG A 18 1.723 -2.773 -9.106 1.00 0.00 O ATOM 209 CB ARG A 18 -0.581 -5.082 -9.103 1.00 0.00 C ATOM 210 CG ARG A 18 -1.368 -5.578 -7.901 1.00 0.00 C ATOM 211 CD ARG A 18 -2.012 -6.928 -8.176 1.00 0.00 C ATOM 212 NE ARG A 18 -3.289 -6.794 -8.871 1.00 0.00 N ATOM 213 CZ ARG A 18 -4.187 -7.770 -8.953 1.00 0.00 C ATOM 214 NH1 ARG A 18 -3.949 -8.944 -8.386 1.00 0.00 N ATOM 215 NH2 ARG A 18 -5.327 -7.571 -9.604 1.00 0.00 N ATOM 0 H ARG A 18 -2.221 -3.830 -10.453 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.636 -3.119 -8.230 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.018 -5.500 -10.010 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.440 -5.458 -9.038 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.706 -5.658 -7.039 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.139 -4.851 -7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.335 -7.537 -8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.165 -7.455 -7.234 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.504 -5.903 -9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.074 -9.100 -7.885 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.640 -9.691 -8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.514 -6.669 -10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.016 -8.320 -9.667 1.00 0.00 H new ATOM 229 N SER A 19 0.862 -3.131 -11.154 1.00 0.00 N ATOM 230 CA SER A 19 2.079 -2.737 -11.854 1.00 0.00 C ATOM 231 C SER A 19 2.349 -1.246 -11.678 1.00 0.00 C ATOM 232 O SER A 19 3.358 -0.726 -12.154 1.00 0.00 O ATOM 233 CB SER A 19 1.968 -3.074 -13.343 1.00 0.00 C ATOM 234 OG SER A 19 3.117 -2.642 -14.050 1.00 0.00 O ATOM 0 H SER A 19 0.095 -3.411 -11.766 1.00 0.00 H new ATOM 0 HA SER A 19 2.912 -3.293 -11.423 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.844 -4.150 -13.467 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.080 -2.600 -13.761 1.00 0.00 H new ATOM 0 HG SER A 19 3.546 -1.910 -13.560 1.00 0.00 H new ATOM 240 N ALA A 20 1.440 -0.564 -10.989 1.00 0.00 N ATOM 241 CA ALA A 20 1.579 0.867 -10.747 1.00 0.00 C ATOM 242 C ALA A 20 2.022 1.140 -9.313 1.00 0.00 C ATOM 243 O ALA A 20 2.677 2.145 -9.037 1.00 0.00 O ATOM 244 CB ALA A 20 0.270 1.583 -11.042 1.00 0.00 C ATOM 0 H ALA A 20 0.599 -0.980 -10.588 1.00 0.00 H new ATOM 0 HA ALA A 20 2.348 1.250 -11.417 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.389 2.650 -10.857 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.005 1.424 -12.085 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.514 1.188 -10.396 1.00 0.00 H new ATOM 250 N TRP A 21 1.660 0.241 -8.406 1.00 0.00 N ATOM 251 CA TRP A 21 2.019 0.386 -7.000 1.00 0.00 C ATOM 252 C TRP A 21 2.686 -0.880 -6.475 1.00 0.00 C ATOM 253 O TRP A 21 3.697 -0.816 -5.774 1.00 0.00 O ATOM 254 CB TRP A 21 0.779 0.708 -6.165 1.00 0.00 C ATOM 255 CG TRP A 21 -0.370 -0.220 -6.427 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.403 -0.019 -7.297 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.601 -1.492 -5.812 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.263 -1.090 -7.259 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.793 -2.007 -6.357 1.00 0.00 C ATOM 260 CE3 TRP A 21 0.084 -2.246 -4.855 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.313 -3.241 -5.975 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.434 -3.470 -4.477 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.622 -3.959 -5.037 1.00 0.00 C ATOM 0 H TRP A 21 1.118 -0.596 -8.619 1.00 0.00 H new ATOM 0 HA TRP A 21 2.728 1.210 -6.916 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.040 0.663 -5.108 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.465 1.731 -6.372 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.526 0.853 -7.922 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.114 -1.186 -7.813 1.00 0.00 H new ATOM 0 HE3 TRP A 21 1.001 -1.879 -4.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.230 -3.618 -6.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.086 -4.060 -3.737 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.999 -4.921 -4.722 1.00 0.00 H new ATOM 274 N TYR A 22 2.115 -2.030 -6.817 1.00 0.00 N ATOM 275 CA TYR A 22 2.654 -3.311 -6.377 1.00 0.00 C ATOM 276 C TYR A 22 4.060 -3.529 -6.927 1.00 0.00 C ATOM 277 O TYR A 22 4.235 -3.868 -8.097 1.00 0.00 O ATOM 278 CB TYR A 22 1.738 -4.453 -6.822 1.00 0.00 C ATOM 279 CG TYR A 22 2.046 -5.772 -6.151 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.311 -5.837 -4.789 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.070 -6.955 -6.880 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.594 -7.040 -4.172 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.350 -8.164 -6.272 1.00 0.00 C ATOM 284 CZ TYR A 22 2.612 -8.201 -4.918 1.00 0.00 C ATOM 285 OH TYR A 22 2.891 -9.402 -4.307 1.00 0.00 O ATOM 0 H TYR A 22 1.279 -2.101 -7.397 1.00 0.00 H new ATOM 0 HA TYR A 22 2.707 -3.299 -5.288 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.704 -4.181 -6.612 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.822 -4.576 -7.902 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.295 -4.931 -4.202 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.866 -6.929 -7.940 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.800 -7.072 -3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.364 -9.074 -6.853 1.00 0.00 H new ATOM 0 HH TYR A 22 2.211 -9.589 -3.627 1.00 0.00 H new ATOM 295 N MET A 23 5.060 -3.331 -6.073 1.00 0.00 N ATOM 296 CA MET A 23 6.451 -3.507 -6.473 1.00 0.00 C ATOM 297 C MET A 23 6.848 -4.979 -6.427 1.00 0.00 C ATOM 298 O MET A 23 7.924 -5.356 -6.889 1.00 0.00 O ATOM 299 CB MET A 23 7.372 -2.690 -5.564 1.00 0.00 C ATOM 300 CG MET A 23 6.912 -1.255 -5.365 1.00 0.00 C ATOM 301 SD MET A 23 7.592 -0.130 -6.599 1.00 0.00 S ATOM 302 CE MET A 23 6.201 0.967 -6.860 1.00 0.00 C ATOM 0 H MET A 23 4.933 -3.049 -5.101 1.00 0.00 H new ATOM 0 HA MET A 23 6.556 -3.153 -7.498 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.438 -3.180 -4.592 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.376 -2.686 -5.988 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.823 -1.218 -5.406 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.206 -0.918 -4.371 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.251 1.385 -7.865 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.271 0.410 -6.744 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.233 1.775 -6.129 1.00 0.00 H new ATOM 312 N GLY A 24 5.971 -5.807 -5.866 1.00 0.00 N ATOM 313 CA GLY A 24 6.249 -7.228 -5.771 1.00 0.00 C ATOM 314 C GLY A 24 7.733 -7.524 -5.690 1.00 0.00 C ATOM 315 O GLY A 24 8.323 -7.558 -4.610 1.00 0.00 O ATOM 0 H GLY A 24 5.074 -5.519 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.752 -7.634 -4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.827 -7.736 -6.638 1.00 0.00 H new ATOM 319 N PRO A 25 8.360 -7.747 -6.855 1.00 0.00 N ATOM 320 CA PRO A 25 9.793 -8.048 -6.937 1.00 0.00 C ATOM 321 C PRO A 25 10.659 -6.842 -6.590 1.00 0.00 C ATOM 322 O PRO A 25 11.191 -6.171 -7.474 1.00 0.00 O ATOM 323 CB PRO A 25 9.988 -8.441 -8.404 1.00 0.00 C ATOM 324 CG PRO A 25 8.884 -7.755 -9.131 1.00 0.00 C ATOM 325 CD PRO A 25 7.719 -7.723 -8.180 1.00 0.00 C ATOM 0 HA PRO A 25 10.088 -8.823 -6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.963 -8.122 -8.773 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.936 -9.522 -8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.177 -6.747 -9.424 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.627 -8.290 -10.045 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.113 -6.828 -8.317 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.060 -8.579 -8.323 1.00 0.00 H new ATOM 333 N VAL A 26 10.797 -6.572 -5.295 1.00 0.00 N ATOM 334 CA VAL A 26 11.601 -5.448 -4.830 1.00 0.00 C ATOM 335 C VAL A 26 12.212 -5.737 -3.464 1.00 0.00 C ATOM 336 O VAL A 26 11.606 -6.413 -2.632 1.00 0.00 O ATOM 337 CB VAL A 26 10.763 -4.158 -4.743 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.414 -3.162 -3.796 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.578 -3.549 -6.125 1.00 0.00 C ATOM 0 H VAL A 26 10.362 -7.116 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 26 12.399 -5.306 -5.559 1.00 0.00 H new ATOM 0 HB VAL A 26 9.779 -4.410 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.808 -2.257 -3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.490 -3.602 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.411 -2.912 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.984 -2.639 -6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.553 -3.310 -6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.065 -4.261 -6.771 1.00 0.00 H new ATOM 349 N SER A 27 13.415 -5.220 -3.239 1.00 0.00 N ATOM 350 CA SER A 27 14.111 -5.425 -1.974 1.00 0.00 C ATOM 351 C SER A 27 13.924 -4.225 -1.050 1.00 0.00 C ATOM 352 O SER A 27 13.847 -3.084 -1.505 1.00 0.00 O ATOM 353 CB SER A 27 15.602 -5.666 -2.220 1.00 0.00 C ATOM 354 OG SER A 27 15.832 -6.974 -2.715 1.00 0.00 O ATOM 0 H SER A 27 13.928 -4.656 -3.916 1.00 0.00 H new ATOM 0 HA SER A 27 13.683 -6.304 -1.491 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.980 -4.932 -2.932 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.155 -5.523 -1.292 1.00 0.00 H new ATOM 0 HG SER A 27 16.792 -7.103 -2.866 1.00 0.00 H new ATOM 360 N ARG A 28 13.853 -4.493 0.250 1.00 0.00 N ATOM 361 CA ARG A 28 13.673 -3.437 1.238 1.00 0.00 C ATOM 362 C ARG A 28 14.636 -2.281 0.980 1.00 0.00 C ATOM 363 O ARG A 28 14.223 -1.125 0.894 1.00 0.00 O ATOM 364 CB ARG A 28 13.888 -3.987 2.649 1.00 0.00 C ATOM 365 CG ARG A 28 13.307 -3.106 3.742 1.00 0.00 C ATOM 366 CD ARG A 28 13.984 -3.358 5.080 1.00 0.00 C ATOM 367 NE ARG A 28 13.116 -3.021 6.205 1.00 0.00 N ATOM 368 CZ ARG A 28 12.957 -1.786 6.668 1.00 0.00 C ATOM 369 NH1 ARG A 28 13.605 -0.776 6.104 1.00 0.00 N ATOM 370 NH2 ARG A 28 12.149 -1.559 7.695 1.00 0.00 N ATOM 0 H ARG A 28 13.917 -5.432 0.643 1.00 0.00 H new ATOM 0 HA ARG A 28 12.652 -3.064 1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.439 -4.978 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.957 -4.109 2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.423 -2.058 3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.237 -3.295 3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.274 -4.406 5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.899 -2.769 5.140 1.00 0.00 H new ATOM 0 HE ARG A 28 12.603 -3.776 6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.227 -0.947 5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.482 0.172 6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.648 -2.333 8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.028 -0.610 8.049 1.00 0.00 H new ATOM 384 N GLN A 29 15.920 -2.603 0.858 1.00 0.00 N ATOM 385 CA GLN A 29 16.941 -1.592 0.611 1.00 0.00 C ATOM 386 C GLN A 29 16.524 -0.664 -0.526 1.00 0.00 C ATOM 387 O GLN A 29 16.859 0.520 -0.527 1.00 0.00 O ATOM 388 CB GLN A 29 18.277 -2.257 0.278 1.00 0.00 C ATOM 389 CG GLN A 29 18.236 -3.111 -0.979 1.00 0.00 C ATOM 390 CD GLN A 29 19.606 -3.615 -1.388 1.00 0.00 C ATOM 391 OE1 GLN A 29 19.971 -4.755 -1.102 1.00 0.00 O ATOM 392 NE2 GLN A 29 20.372 -2.765 -2.062 1.00 0.00 N ATOM 0 H GLN A 29 16.278 -3.556 0.926 1.00 0.00 H new ATOM 0 HA GLN A 29 17.055 -0.998 1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 29 19.037 -1.485 0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.584 -2.878 1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.575 -3.962 -0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.809 -2.529 -1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 29 20.028 -1.829 -2.277 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.304 -3.048 -2.364 1.00 0.00 H new ATOM 401 N GLU A 30 15.791 -1.211 -1.491 1.00 0.00 N ATOM 402 CA GLU A 30 15.330 -0.431 -2.633 1.00 0.00 C ATOM 403 C GLU A 30 14.160 0.468 -2.242 1.00 0.00 C ATOM 404 O GLU A 30 14.290 1.691 -2.203 1.00 0.00 O ATOM 405 CB GLU A 30 14.915 -1.358 -3.778 1.00 0.00 C ATOM 406 CG GLU A 30 14.641 -0.629 -5.083 1.00 0.00 C ATOM 407 CD GLU A 30 14.923 -1.487 -6.300 1.00 0.00 C ATOM 408 OE1 GLU A 30 14.296 -2.559 -6.430 1.00 0.00 O ATOM 409 OE2 GLU A 30 15.771 -1.086 -7.124 1.00 0.00 O ATOM 0 H GLU A 30 15.504 -2.190 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 30 16.154 0.200 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.702 -2.094 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.021 -1.907 -3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.600 -0.307 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.254 0.271 -5.128 1.00 0.00 H new ATOM 416 N ALA A 31 13.019 -0.149 -1.954 1.00 0.00 N ATOM 417 CA ALA A 31 11.826 0.594 -1.565 1.00 0.00 C ATOM 418 C ALA A 31 12.187 1.798 -0.702 1.00 0.00 C ATOM 419 O ALA A 31 11.482 2.807 -0.702 1.00 0.00 O ATOM 420 CB ALA A 31 10.856 -0.315 -0.827 1.00 0.00 C ATOM 0 H ALA A 31 12.895 -1.161 -1.983 1.00 0.00 H new ATOM 0 HA ALA A 31 11.344 0.961 -2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.970 0.253 -0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.565 -1.140 -1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.337 -0.710 0.068 1.00 0.00 H new ATOM 426 N GLN A 32 13.289 1.684 0.034 1.00 0.00 N ATOM 427 CA GLN A 32 13.741 2.764 0.903 1.00 0.00 C ATOM 428 C GLN A 32 14.287 3.929 0.084 1.00 0.00 C ATOM 429 O GLN A 32 13.866 5.074 0.256 1.00 0.00 O ATOM 430 CB GLN A 32 14.815 2.255 1.867 1.00 0.00 C ATOM 431 CG GLN A 32 14.251 1.680 3.156 1.00 0.00 C ATOM 432 CD GLN A 32 15.237 1.751 4.306 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.879 0.759 4.650 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.362 2.928 4.908 1.00 0.00 N ATOM 0 H GLN A 32 13.884 0.856 0.045 1.00 0.00 H new ATOM 0 HA GLN A 32 12.885 3.117 1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.408 1.490 1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.492 3.074 2.110 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.344 2.222 3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.964 0.641 2.991 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.810 3.725 4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.010 3.035 5.688 1.00 0.00 H new ATOM 443 N THR A 33 15.227 3.631 -0.807 1.00 0.00 N ATOM 444 CA THR A 33 15.831 4.654 -1.652 1.00 0.00 C ATOM 445 C THR A 33 14.791 5.306 -2.556 1.00 0.00 C ATOM 446 O THR A 33 14.992 6.415 -3.049 1.00 0.00 O ATOM 447 CB THR A 33 16.958 4.069 -2.523 1.00 0.00 C ATOM 448 OG1 THR A 33 17.908 5.090 -2.847 1.00 0.00 O ATOM 449 CG2 THR A 33 16.396 3.468 -3.803 1.00 0.00 C ATOM 0 H THR A 33 15.587 2.689 -0.962 1.00 0.00 H new ATOM 0 HA THR A 33 16.251 5.407 -0.985 1.00 0.00 H new ATOM 0 HB THR A 33 17.453 3.280 -1.956 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.622 4.709 -3.400 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.211 3.061 -4.402 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.696 2.671 -3.554 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.879 4.241 -4.371 1.00 0.00 H new ATOM 457 N ARG A 34 13.679 4.609 -2.769 1.00 0.00 N ATOM 458 CA ARG A 34 12.608 5.121 -3.615 1.00 0.00 C ATOM 459 C ARG A 34 11.752 6.131 -2.857 1.00 0.00 C ATOM 460 O ARG A 34 11.245 7.092 -3.438 1.00 0.00 O ATOM 461 CB ARG A 34 11.733 3.971 -4.118 1.00 0.00 C ATOM 462 CG ARG A 34 12.528 2.785 -4.641 1.00 0.00 C ATOM 463 CD ARG A 34 11.770 2.045 -5.732 1.00 0.00 C ATOM 464 NE ARG A 34 12.672 1.414 -6.692 1.00 0.00 N ATOM 465 CZ ARG A 34 12.257 0.661 -7.705 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.962 0.447 -7.889 1.00 0.00 N ATOM 467 NH2 ARG A 34 13.139 0.121 -8.536 1.00 0.00 N ATOM 0 H ARG A 34 13.497 3.689 -2.368 1.00 0.00 H new ATOM 0 HA ARG A 34 13.062 5.624 -4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.087 3.635 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.083 4.340 -4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.485 3.131 -5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.747 2.102 -3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.133 1.285 -5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.114 2.741 -6.254 1.00 0.00 H new ATOM 0 HE ARG A 34 13.675 1.559 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.281 0.861 -7.252 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.646 -0.131 -8.668 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.136 0.284 -8.397 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.820 -0.457 -9.313 1.00 0.00 H new ATOM 481 N LEU A 35 11.594 5.907 -1.557 1.00 0.00 N ATOM 482 CA LEU A 35 10.799 6.798 -0.718 1.00 0.00 C ATOM 483 C LEU A 35 11.689 7.586 0.237 1.00 0.00 C ATOM 484 O LEU A 35 11.199 8.341 1.076 1.00 0.00 O ATOM 485 CB LEU A 35 9.765 5.996 0.075 1.00 0.00 C ATOM 486 CG LEU A 35 8.964 4.963 -0.719 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.391 3.903 0.209 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.852 5.642 -1.506 1.00 0.00 C ATOM 0 H LEU A 35 12.006 5.116 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 35 10.282 7.504 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.279 5.482 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.065 6.695 0.533 1.00 0.00 H new ATOM 0 HG LEU A 35 9.636 4.474 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.824 3.177 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.204 3.396 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.733 4.375 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.292 4.892 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.182 6.157 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.285 6.363 -2.199 1.00 0.00 H new ATOM 500 N GLN A 36 12.999 7.406 0.101 1.00 0.00 N ATOM 501 CA GLN A 36 13.958 8.102 0.951 1.00 0.00 C ATOM 502 C GLN A 36 14.188 9.526 0.458 1.00 0.00 C ATOM 503 O GLN A 36 14.844 9.743 -0.560 1.00 0.00 O ATOM 504 CB GLN A 36 15.284 7.341 0.988 1.00 0.00 C ATOM 505 CG GLN A 36 16.423 8.134 1.610 1.00 0.00 C ATOM 506 CD GLN A 36 16.370 8.142 3.125 1.00 0.00 C ATOM 507 OE1 GLN A 36 17.110 7.415 3.787 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.491 8.967 3.682 1.00 0.00 N ATOM 0 H GLN A 36 13.420 6.784 -0.589 1.00 0.00 H new ATOM 0 HA GLN A 36 13.546 8.149 1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.147 6.416 1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.561 7.060 -0.028 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.374 7.712 1.286 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.389 9.160 1.244 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.897 9.552 3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.410 9.016 4.698 1.00 0.00 H new ATOM 517 N GLY A 37 13.644 10.495 1.188 1.00 0.00 N ATOM 518 CA GLY A 37 13.801 11.887 0.809 1.00 0.00 C ATOM 519 C GLY A 37 12.739 12.345 -0.170 1.00 0.00 C ATOM 520 O GLY A 37 12.822 13.445 -0.717 1.00 0.00 O ATOM 0 H GLY A 37 13.097 10.341 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.760 12.510 1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.786 12.030 0.365 1.00 0.00 H new ATOM 524 N GLN A 38 11.738 11.499 -0.394 1.00 0.00 N ATOM 525 CA GLN A 38 10.657 11.822 -1.317 1.00 0.00 C ATOM 526 C GLN A 38 9.562 12.618 -0.615 1.00 0.00 C ATOM 527 O GLN A 38 9.491 12.645 0.614 1.00 0.00 O ATOM 528 CB GLN A 38 10.070 10.543 -1.916 1.00 0.00 C ATOM 529 CG GLN A 38 11.009 9.836 -2.880 1.00 0.00 C ATOM 530 CD GLN A 38 11.890 10.801 -3.650 1.00 0.00 C ATOM 531 OE1 GLN A 38 13.046 11.026 -3.290 1.00 0.00 O ATOM 532 NE2 GLN A 38 11.347 11.377 -4.716 1.00 0.00 N ATOM 0 H GLN A 38 11.654 10.585 0.051 1.00 0.00 H new ATOM 0 HA GLN A 38 11.069 12.434 -2.119 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.810 9.859 -1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.144 10.787 -2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.638 9.140 -2.324 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.423 9.244 -3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.385 11.161 -4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.892 12.035 -5.273 1.00 0.00 H new ATOM 541 N ARG A 39 8.709 13.265 -1.403 1.00 0.00 N ATOM 542 CA ARG A 39 7.618 14.063 -0.856 1.00 0.00 C ATOM 543 C ARG A 39 6.708 13.210 0.022 1.00 0.00 C ATOM 544 O ARG A 39 6.553 12.010 -0.207 1.00 0.00 O ATOM 545 CB ARG A 39 6.806 14.698 -1.986 1.00 0.00 C ATOM 546 CG ARG A 39 6.032 13.690 -2.820 1.00 0.00 C ATOM 547 CD ARG A 39 6.856 13.190 -3.996 1.00 0.00 C ATOM 548 NE ARG A 39 7.548 14.278 -4.681 1.00 0.00 N ATOM 549 CZ ARG A 39 6.934 15.173 -5.448 1.00 0.00 C ATOM 550 NH1 ARG A 39 5.621 15.108 -5.626 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.632 16.134 -6.038 1.00 0.00 N ATOM 0 H ARG A 39 8.752 13.252 -2.422 1.00 0.00 H new ATOM 0 HA ARG A 39 8.051 14.852 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.107 15.418 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.479 15.255 -2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.740 12.847 -2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.114 14.148 -3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.586 12.461 -3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.205 12.674 -4.701 1.00 0.00 H new ATOM 0 HE ARG A 39 8.558 14.355 -4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.081 14.370 -5.174 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.152 15.796 -6.215 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.642 16.187 -5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.159 16.820 -6.626 1.00 0.00 H new ATOM 565 N HIS A 40 6.108 13.837 1.030 1.00 0.00 N ATOM 566 CA HIS A 40 5.213 13.136 1.943 1.00 0.00 C ATOM 567 C HIS A 40 3.935 12.706 1.228 1.00 0.00 C ATOM 568 O HIS A 40 3.171 13.541 0.747 1.00 0.00 O ATOM 569 CB HIS A 40 4.868 14.026 3.137 1.00 0.00 C ATOM 570 CG HIS A 40 6.051 14.367 3.990 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.158 15.551 4.690 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.181 13.671 4.257 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.303 15.569 5.348 1.00 0.00 C ATOM 574 NE2 HIS A 40 7.942 14.440 5.102 1.00 0.00 N ATOM 0 H HIS A 40 6.226 14.829 1.234 1.00 0.00 H new ATOM 0 HA HIS A 40 5.726 12.244 2.301 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.414 14.948 2.774 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.120 13.523 3.751 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.462 16.296 4.698 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.436 12.693 3.876 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.656 16.371 5.980 1.00 0.00 H new ATOM 583 N GLY A 41 3.711 11.397 1.161 1.00 0.00 N ATOM 584 CA GLY A 41 2.526 10.880 0.503 1.00 0.00 C ATOM 585 C GLY A 41 2.819 9.655 -0.340 1.00 0.00 C ATOM 586 O GLY A 41 1.945 8.816 -0.554 1.00 0.00 O ATOM 0 H GLY A 41 4.329 10.686 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.777 10.630 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.096 11.658 -0.129 1.00 0.00 H new ATOM 590 N MET A 42 4.053 9.552 -0.823 1.00 0.00 N ATOM 591 CA MET A 42 4.459 8.420 -1.648 1.00 0.00 C ATOM 592 C MET A 42 4.260 7.105 -0.903 1.00 0.00 C ATOM 593 O MET A 42 4.278 7.068 0.328 1.00 0.00 O ATOM 594 CB MET A 42 5.923 8.566 -2.067 1.00 0.00 C ATOM 595 CG MET A 42 6.255 7.860 -3.372 1.00 0.00 C ATOM 596 SD MET A 42 7.861 8.345 -4.034 1.00 0.00 S ATOM 597 CE MET A 42 7.467 9.942 -4.743 1.00 0.00 C ATOM 0 H MET A 42 4.789 10.239 -0.657 1.00 0.00 H new ATOM 0 HA MET A 42 3.833 8.410 -2.540 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.160 9.625 -2.166 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.560 8.169 -1.276 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.243 6.782 -3.211 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.481 8.081 -4.107 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.318 10.612 -4.625 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.242 9.824 -5.803 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.601 10.363 -4.233 1.00 0.00 H new ATOM 607 N PHE A 43 4.068 6.026 -1.656 1.00 0.00 N ATOM 608 CA PHE A 43 3.864 4.709 -1.066 1.00 0.00 C ATOM 609 C PHE A 43 4.135 3.607 -2.087 1.00 0.00 C ATOM 610 O PHE A 43 4.320 3.878 -3.274 1.00 0.00 O ATOM 611 CB PHE A 43 2.437 4.582 -0.530 1.00 0.00 C ATOM 612 CG PHE A 43 1.432 4.206 -1.581 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.211 2.876 -1.903 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.709 5.182 -2.248 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.288 2.528 -2.871 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.215 4.839 -3.216 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.427 3.510 -3.527 1.00 0.00 C ATOM 0 H PHE A 43 4.050 6.039 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 43 4.567 4.596 -0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.420 3.833 0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.142 5.529 -0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.766 2.103 -1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.870 6.223 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.126 1.488 -3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.771 5.609 -3.729 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.151 3.240 -4.282 1.00 0.00 H new ATOM 627 N LEU A 44 4.158 2.365 -1.616 1.00 0.00 N ATOM 628 CA LEU A 44 4.407 1.222 -2.487 1.00 0.00 C ATOM 629 C LEU A 44 4.249 -0.089 -1.723 1.00 0.00 C ATOM 630 O LEU A 44 4.559 -0.168 -0.534 1.00 0.00 O ATOM 631 CB LEU A 44 5.812 1.309 -3.087 1.00 0.00 C ATOM 632 CG LEU A 44 6.970 1.294 -2.089 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.322 -0.133 -1.701 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.184 2.006 -2.670 1.00 0.00 C ATOM 0 H LEU A 44 4.007 2.124 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 44 3.673 1.243 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.943 0.476 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.878 2.224 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 44 6.657 1.826 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.148 -0.123 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.455 -0.610 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.615 -0.690 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.999 1.986 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.498 1.502 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.925 3.040 -2.896 1.00 0.00 H new ATOM 646 N VAL A 45 3.766 -1.116 -2.415 1.00 0.00 N ATOM 647 CA VAL A 45 3.570 -2.425 -1.803 1.00 0.00 C ATOM 648 C VAL A 45 4.470 -3.473 -2.447 1.00 0.00 C ATOM 649 O VAL A 45 4.303 -3.816 -3.617 1.00 0.00 O ATOM 650 CB VAL A 45 2.104 -2.884 -1.918 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.883 -4.168 -1.132 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.164 -1.788 -1.438 1.00 0.00 C ATOM 0 H VAL A 45 3.503 -1.067 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 45 3.831 -2.324 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 45 1.886 -3.086 -2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.842 -4.477 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.530 -4.952 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.118 -3.997 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.132 -2.129 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.381 -1.553 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.304 -0.895 -2.048 1.00 0.00 H new ATOM 662 N ARG A 46 5.426 -3.979 -1.674 1.00 0.00 N ATOM 663 CA ARG A 46 6.354 -4.989 -2.168 1.00 0.00 C ATOM 664 C ARG A 46 6.157 -6.314 -1.437 1.00 0.00 C ATOM 665 O ARG A 46 5.373 -6.402 -0.493 1.00 0.00 O ATOM 666 CB ARG A 46 7.798 -4.511 -2.000 1.00 0.00 C ATOM 667 CG ARG A 46 8.001 -3.597 -0.803 1.00 0.00 C ATOM 668 CD ARG A 46 9.469 -3.256 -0.605 1.00 0.00 C ATOM 669 NE ARG A 46 10.141 -4.215 0.269 1.00 0.00 N ATOM 670 CZ ARG A 46 10.137 -4.128 1.594 1.00 0.00 C ATOM 671 NH1 ARG A 46 9.500 -3.133 2.195 1.00 0.00 N ATOM 672 NH2 ARG A 46 10.771 -5.040 2.321 1.00 0.00 N ATOM 0 H ARG A 46 5.578 -3.706 -0.703 1.00 0.00 H new ATOM 0 HA ARG A 46 6.151 -5.145 -3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.450 -5.379 -1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.105 -3.985 -2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.429 -2.680 -0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.614 -4.080 0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.970 -3.235 -1.573 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.555 -2.256 -0.180 1.00 0.00 H new ATOM 0 HE ARG A 46 10.640 -4.993 -0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.011 -2.431 1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.499 -3.069 3.213 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.261 -5.808 1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.768 -4.973 3.339 1.00 0.00 H new ATOM 686 N ASP A 47 6.873 -7.340 -1.881 1.00 0.00 N ATOM 687 CA ASP A 47 6.778 -8.661 -1.269 1.00 0.00 C ATOM 688 C ASP A 47 7.535 -8.702 0.054 1.00 0.00 C ATOM 689 O ASP A 47 8.745 -8.480 0.096 1.00 0.00 O ATOM 690 CB ASP A 47 7.327 -9.727 -2.219 1.00 0.00 C ATOM 691 CG ASP A 47 7.872 -10.934 -1.481 1.00 0.00 C ATOM 692 OD1 ASP A 47 7.062 -11.773 -1.036 1.00 0.00 O ATOM 693 OD2 ASP A 47 9.110 -11.038 -1.347 1.00 0.00 O ATOM 0 H ASP A 47 7.526 -7.283 -2.663 1.00 0.00 H new ATOM 0 HA ASP A 47 5.726 -8.869 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.536 -10.046 -2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.117 -9.292 -2.831 1.00 0.00 H new ATOM 698 N SER A 48 6.814 -8.987 1.134 1.00 0.00 N ATOM 699 CA SER A 48 7.417 -9.053 2.460 1.00 0.00 C ATOM 700 C SER A 48 8.648 -9.954 2.453 1.00 0.00 C ATOM 701 O SER A 48 8.702 -10.944 1.724 1.00 0.00 O ATOM 702 CB SER A 48 6.399 -9.567 3.481 1.00 0.00 C ATOM 703 OG SER A 48 6.915 -9.488 4.798 1.00 0.00 O ATOM 0 H SER A 48 5.812 -9.176 1.117 1.00 0.00 H new ATOM 0 HA SER A 48 7.727 -8.047 2.742 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.482 -8.983 3.411 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.138 -10.600 3.251 1.00 0.00 H new ATOM 0 HG SER A 48 6.209 -9.190 5.409 1.00 0.00 H new ATOM 709 N SER A 49 9.635 -9.603 3.272 1.00 0.00 N ATOM 710 CA SER A 49 10.867 -10.377 3.359 1.00 0.00 C ATOM 711 C SER A 49 10.956 -11.110 4.693 1.00 0.00 C ATOM 712 O SER A 49 11.204 -12.316 4.738 1.00 0.00 O ATOM 713 CB SER A 49 12.082 -9.462 3.185 1.00 0.00 C ATOM 714 OG SER A 49 12.337 -9.208 1.815 1.00 0.00 O ATOM 0 H SER A 49 9.605 -8.788 3.884 1.00 0.00 H new ATOM 0 HA SER A 49 10.859 -11.117 2.558 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.910 -8.521 3.707 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.957 -9.924 3.642 1.00 0.00 H new ATOM 0 HG SER A 49 13.117 -8.620 1.731 1.00 0.00 H new ATOM 720 N THR A 50 10.750 -10.374 5.781 1.00 0.00 N ATOM 721 CA THR A 50 10.808 -10.953 7.118 1.00 0.00 C ATOM 722 C THR A 50 9.628 -11.886 7.364 1.00 0.00 C ATOM 723 O THR A 50 9.529 -12.512 8.419 1.00 0.00 O ATOM 724 CB THR A 50 10.818 -9.860 8.203 1.00 0.00 C ATOM 725 OG1 THR A 50 10.061 -8.726 7.764 1.00 0.00 O ATOM 726 CG2 THR A 50 12.242 -9.431 8.526 1.00 0.00 C ATOM 0 H THR A 50 10.541 -9.376 5.762 1.00 0.00 H new ATOM 0 HA THR A 50 11.736 -11.522 7.177 1.00 0.00 H new ATOM 0 HB THR A 50 10.365 -10.271 9.105 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.071 -8.037 8.460 1.00 0.00 H new ATOM 0 HG21 THR A 50 12.224 -8.658 9.295 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.807 -10.290 8.888 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.716 -9.037 7.627 1.00 0.00 H new ATOM 734 N CYS A 51 8.736 -11.975 6.383 1.00 0.00 N ATOM 735 CA CYS A 51 7.561 -12.832 6.494 1.00 0.00 C ATOM 736 C CYS A 51 7.177 -13.406 5.134 1.00 0.00 C ATOM 737 O CYS A 51 7.007 -12.682 4.153 1.00 0.00 O ATOM 738 CB CYS A 51 6.386 -12.050 7.082 1.00 0.00 C ATOM 739 SG CYS A 51 6.488 -11.796 8.869 1.00 0.00 S ATOM 0 H CYS A 51 8.804 -11.465 5.503 1.00 0.00 H new ATOM 0 HA CYS A 51 7.806 -13.658 7.161 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.328 -11.079 6.591 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.461 -12.579 6.853 1.00 0.00 H new ATOM 0 HG CYS A 51 7.714 -11.976 9.264 1.00 0.00 H new ATOM 745 N PRO A 52 7.037 -14.739 5.072 1.00 0.00 N ATOM 746 CA PRO A 52 6.673 -15.440 3.837 1.00 0.00 C ATOM 747 C PRO A 52 5.230 -15.171 3.422 1.00 0.00 C ATOM 748 O PRO A 52 4.293 -15.509 4.145 1.00 0.00 O ATOM 749 CB PRO A 52 6.859 -16.915 4.199 1.00 0.00 C ATOM 750 CG PRO A 52 6.689 -16.967 5.678 1.00 0.00 C ATOM 751 CD PRO A 52 7.224 -15.664 6.202 1.00 0.00 C ATOM 0 HA PRO A 52 7.278 -15.115 2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.124 -17.542 3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.844 -17.275 3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.640 -17.094 5.946 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.231 -17.811 6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.680 -15.333 7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.273 -15.745 6.485 1.00 0.00 H new ATOM 759 N GLY A 53 5.059 -14.561 2.253 1.00 0.00 N ATOM 760 CA GLY A 53 3.727 -14.258 1.763 1.00 0.00 C ATOM 761 C GLY A 53 3.284 -12.853 2.118 1.00 0.00 C ATOM 762 O GLY A 53 2.853 -12.093 1.251 1.00 0.00 O ATOM 0 H GLY A 53 5.819 -14.271 1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.705 -14.380 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.019 -14.975 2.178 1.00 0.00 H new ATOM 766 N ASP A 54 3.389 -12.507 3.397 1.00 0.00 N ATOM 767 CA ASP A 54 2.995 -11.183 3.865 1.00 0.00 C ATOM 768 C ASP A 54 3.497 -10.099 2.917 1.00 0.00 C ATOM 769 O ASP A 54 4.339 -10.355 2.056 1.00 0.00 O ATOM 770 CB ASP A 54 3.536 -10.936 5.274 1.00 0.00 C ATOM 771 CG ASP A 54 2.712 -11.629 6.341 1.00 0.00 C ATOM 772 OD1 ASP A 54 2.874 -12.856 6.512 1.00 0.00 O ATOM 773 OD2 ASP A 54 1.906 -10.945 7.006 1.00 0.00 O ATOM 0 H ASP A 54 3.743 -13.125 4.127 1.00 0.00 H new ATOM 0 HA ASP A 54 1.906 -11.142 3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.567 -11.286 5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.552 -9.864 5.471 1.00 0.00 H new ATOM 778 N TYR A 55 2.974 -8.889 3.079 1.00 0.00 N ATOM 779 CA TYR A 55 3.366 -7.767 2.235 1.00 0.00 C ATOM 780 C TYR A 55 3.899 -6.612 3.077 1.00 0.00 C ATOM 781 O TYR A 55 3.754 -6.601 4.300 1.00 0.00 O ATOM 782 CB TYR A 55 2.178 -7.295 1.394 1.00 0.00 C ATOM 783 CG TYR A 55 1.820 -8.238 0.268 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.806 -8.792 -0.540 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.497 -8.574 0.012 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.483 -9.654 -1.571 1.00 0.00 C ATOM 787 CE2 TYR A 55 0.166 -9.436 -1.016 1.00 0.00 C ATOM 788 CZ TYR A 55 1.162 -9.973 -1.804 1.00 0.00 C ATOM 789 OH TYR A 55 0.836 -10.831 -2.829 1.00 0.00 O ATOM 0 H TYR A 55 2.277 -8.660 3.788 1.00 0.00 H new ATOM 0 HA TYR A 55 4.161 -8.105 1.571 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.311 -7.172 2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.406 -6.314 0.977 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.842 -8.545 -0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.286 -8.155 0.626 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.261 -10.075 -2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.868 -9.688 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.136 -10.952 -2.858 1.00 0.00 H new ATOM 799 N VAL A 56 4.516 -5.639 2.413 1.00 0.00 N ATOM 800 CA VAL A 56 5.069 -4.478 3.098 1.00 0.00 C ATOM 801 C VAL A 56 4.765 -3.193 2.336 1.00 0.00 C ATOM 802 O VAL A 56 5.267 -2.980 1.231 1.00 0.00 O ATOM 803 CB VAL A 56 6.594 -4.606 3.278 1.00 0.00 C ATOM 804 CG1 VAL A 56 7.147 -3.401 4.024 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.937 -5.897 4.006 1.00 0.00 C ATOM 0 H VAL A 56 4.645 -5.633 1.401 1.00 0.00 H new ATOM 0 HA VAL A 56 4.597 -4.435 4.079 1.00 0.00 H new ATOM 0 HB VAL A 56 7.058 -4.637 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.225 -3.509 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.933 -2.494 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.680 -3.335 5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.018 -5.972 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.463 -5.898 4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.576 -6.748 3.428 1.00 0.00 H new ATOM 815 N LEU A 57 3.940 -2.339 2.932 1.00 0.00 N ATOM 816 CA LEU A 57 3.569 -1.073 2.310 1.00 0.00 C ATOM 817 C LEU A 57 4.498 0.049 2.760 1.00 0.00 C ATOM 818 O LEU A 57 4.279 0.671 3.799 1.00 0.00 O ATOM 819 CB LEU A 57 2.120 -0.720 2.653 1.00 0.00 C ATOM 820 CG LEU A 57 1.511 0.444 1.871 1.00 0.00 C ATOM 821 CD1 LEU A 57 0.084 0.707 2.330 1.00 0.00 C ATOM 822 CD2 LEU A 57 2.362 1.696 2.027 1.00 0.00 C ATOM 0 H LEU A 57 3.515 -2.500 3.845 1.00 0.00 H new ATOM 0 HA LEU A 57 3.664 -1.186 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.503 -1.604 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.066 -0.485 3.716 1.00 0.00 H new ATOM 0 HG LEU A 57 1.488 0.174 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.333 1.539 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.521 -0.184 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.083 0.955 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.913 2.514 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.418 1.969 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.366 1.503 1.649 1.00 0.00 H new ATOM 834 N SER A 58 5.537 0.303 1.970 1.00 0.00 N ATOM 835 CA SER A 58 6.501 1.350 2.289 1.00 0.00 C ATOM 836 C SER A 58 5.936 2.728 1.957 1.00 0.00 C ATOM 837 O SER A 58 5.655 3.034 0.798 1.00 0.00 O ATOM 838 CB SER A 58 7.804 1.122 1.521 1.00 0.00 C ATOM 839 OG SER A 58 8.260 -0.211 1.673 1.00 0.00 O ATOM 0 H SER A 58 5.732 -0.201 1.105 1.00 0.00 H new ATOM 0 HA SER A 58 6.705 1.309 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.649 1.338 0.464 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.567 1.813 1.879 1.00 0.00 H new ATOM 0 HG SER A 58 8.730 -0.300 2.528 1.00 0.00 H new ATOM 845 N VAL A 59 5.773 3.556 2.984 1.00 0.00 N ATOM 846 CA VAL A 59 5.243 4.903 2.803 1.00 0.00 C ATOM 847 C VAL A 59 6.277 5.956 3.186 1.00 0.00 C ATOM 848 O VAL A 59 7.139 5.716 4.031 1.00 0.00 O ATOM 849 CB VAL A 59 3.970 5.122 3.641 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.948 6.527 4.223 1.00 0.00 C ATOM 851 CG2 VAL A 59 2.729 4.865 2.800 1.00 0.00 C ATOM 0 H VAL A 59 6.000 3.318 3.950 1.00 0.00 H new ATOM 0 HA VAL A 59 4.996 5.007 1.746 1.00 0.00 H new ATOM 0 HB VAL A 59 3.974 4.413 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.041 6.663 4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.820 6.670 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.967 7.257 3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.838 5.024 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.716 5.549 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.742 3.837 2.437 1.00 0.00 H new ATOM 861 N SER A 60 6.185 7.123 2.557 1.00 0.00 N ATOM 862 CA SER A 60 7.114 8.214 2.829 1.00 0.00 C ATOM 863 C SER A 60 6.515 9.203 3.823 1.00 0.00 C ATOM 864 O SER A 60 5.484 9.820 3.556 1.00 0.00 O ATOM 865 CB SER A 60 7.480 8.936 1.531 1.00 0.00 C ATOM 866 OG SER A 60 8.532 9.861 1.741 1.00 0.00 O ATOM 0 H SER A 60 5.476 7.338 1.855 1.00 0.00 H new ATOM 0 HA SER A 60 8.017 7.788 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.778 8.207 0.777 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.605 9.457 1.142 1.00 0.00 H new ATOM 0 HG SER A 60 9.388 9.440 1.516 1.00 0.00 H new ATOM 872 N GLU A 61 7.169 9.348 4.972 1.00 0.00 N ATOM 873 CA GLU A 61 6.700 10.262 6.007 1.00 0.00 C ATOM 874 C GLU A 61 7.782 10.495 7.058 1.00 0.00 C ATOM 875 O GLU A 61 8.528 9.581 7.408 1.00 0.00 O ATOM 876 CB GLU A 61 5.437 9.710 6.672 1.00 0.00 C ATOM 877 CG GLU A 61 4.741 10.710 7.580 1.00 0.00 C ATOM 878 CD GLU A 61 4.815 12.129 7.050 1.00 0.00 C ATOM 879 OE1 GLU A 61 4.396 12.354 5.895 1.00 0.00 O ATOM 880 OE2 GLU A 61 5.292 13.015 7.790 1.00 0.00 O ATOM 0 H GLU A 61 8.024 8.845 5.209 1.00 0.00 H new ATOM 0 HA GLU A 61 6.465 11.216 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.740 9.388 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.699 8.826 7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.696 10.424 7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.194 10.672 8.571 1.00 0.00 H new ATOM 887 N ASN A 62 7.860 11.724 7.556 1.00 0.00 N ATOM 888 CA ASN A 62 8.851 12.078 8.566 1.00 0.00 C ATOM 889 C ASN A 62 10.266 11.834 8.049 1.00 0.00 C ATOM 890 O ASN A 62 11.075 11.183 8.710 1.00 0.00 O ATOM 891 CB ASN A 62 8.617 11.271 9.845 1.00 0.00 C ATOM 892 CG ASN A 62 7.503 11.848 10.697 1.00 0.00 C ATOM 893 OD1 ASN A 62 7.563 13.003 11.117 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.479 11.043 10.956 1.00 0.00 N ATOM 0 H ASN A 62 7.249 12.492 7.277 1.00 0.00 H new ATOM 0 HA ASN A 62 8.743 13.139 8.789 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.374 10.241 9.582 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.538 11.242 10.427 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.700 11.375 11.524 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.472 10.092 10.587 1.00 0.00 H new ATOM 901 N SER A 63 10.556 12.362 6.864 1.00 0.00 N ATOM 902 CA SER A 63 11.872 12.200 6.257 1.00 0.00 C ATOM 903 C SER A 63 12.377 10.770 6.429 1.00 0.00 C ATOM 904 O SER A 63 13.579 10.535 6.550 1.00 0.00 O ATOM 905 CB SER A 63 12.868 13.182 6.876 1.00 0.00 C ATOM 906 OG SER A 63 14.059 13.250 6.113 1.00 0.00 O ATOM 0 H SER A 63 9.898 12.905 6.306 1.00 0.00 H new ATOM 0 HA SER A 63 11.781 12.410 5.191 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.416 14.172 6.939 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.102 12.873 7.895 1.00 0.00 H new ATOM 0 HG SER A 63 14.427 12.349 6.000 1.00 0.00 H new ATOM 912 N ARG A 64 11.449 9.819 6.438 1.00 0.00 N ATOM 913 CA ARG A 64 11.798 8.412 6.597 1.00 0.00 C ATOM 914 C ARG A 64 10.837 7.522 5.815 1.00 0.00 C ATOM 915 O ARG A 64 9.876 8.004 5.214 1.00 0.00 O ATOM 916 CB ARG A 64 11.781 8.024 8.076 1.00 0.00 C ATOM 917 CG ARG A 64 10.382 7.896 8.656 1.00 0.00 C ATOM 918 CD ARG A 64 10.335 6.871 9.778 1.00 0.00 C ATOM 919 NE ARG A 64 9.062 6.901 10.494 1.00 0.00 N ATOM 920 CZ ARG A 64 8.692 7.895 11.294 1.00 0.00 C ATOM 921 NH1 ARG A 64 9.493 8.935 11.479 1.00 0.00 N ATOM 922 NH2 ARG A 64 7.518 7.850 11.911 1.00 0.00 N ATOM 0 H ARG A 64 10.450 9.997 6.337 1.00 0.00 H new ATOM 0 HA ARG A 64 12.804 8.266 6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.305 7.076 8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.334 8.771 8.645 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.053 8.865 9.033 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.686 7.607 7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.496 5.875 9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.149 7.062 10.477 1.00 0.00 H new ATOM 0 HE ARG A 64 8.422 6.116 10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.396 8.974 11.006 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.206 9.697 12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.899 7.052 11.771 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.235 8.614 12.525 1.00 0.00 H new ATOM 936 N VAL A 65 11.103 6.220 5.826 1.00 0.00 N ATOM 937 CA VAL A 65 10.261 5.262 5.118 1.00 0.00 C ATOM 938 C VAL A 65 9.365 4.498 6.086 1.00 0.00 C ATOM 939 O VAL A 65 9.793 3.527 6.710 1.00 0.00 O ATOM 940 CB VAL A 65 11.109 4.255 4.317 1.00 0.00 C ATOM 941 CG1 VAL A 65 10.238 3.489 3.333 1.00 0.00 C ATOM 942 CG2 VAL A 65 12.242 4.968 3.596 1.00 0.00 C ATOM 0 H VAL A 65 11.894 5.804 6.317 1.00 0.00 H new ATOM 0 HA VAL A 65 9.641 5.834 4.428 1.00 0.00 H new ATOM 0 HB VAL A 65 11.546 3.539 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.853 2.782 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.465 2.947 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.771 4.188 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.831 4.242 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.829 5.707 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.880 5.467 4.325 1.00 0.00 H new ATOM 952 N SER A 66 8.118 4.942 6.206 1.00 0.00 N ATOM 953 CA SER A 66 7.161 4.303 7.101 1.00 0.00 C ATOM 954 C SER A 66 6.690 2.969 6.529 1.00 0.00 C ATOM 955 O SER A 66 5.712 2.911 5.782 1.00 0.00 O ATOM 956 CB SER A 66 5.961 5.221 7.339 1.00 0.00 C ATOM 957 OG SER A 66 6.293 6.274 8.227 1.00 0.00 O ATOM 0 H SER A 66 7.747 5.742 5.694 1.00 0.00 H new ATOM 0 HA SER A 66 7.660 4.115 8.052 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.622 5.635 6.389 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.133 4.643 7.749 1.00 0.00 H new ATOM 0 HG SER A 66 5.510 6.848 8.362 1.00 0.00 H new ATOM 963 N HIS A 67 7.393 1.898 6.884 1.00 0.00 N ATOM 964 CA HIS A 67 7.047 0.564 6.407 1.00 0.00 C ATOM 965 C HIS A 67 5.820 0.027 7.138 1.00 0.00 C ATOM 966 O HIS A 67 5.892 -0.324 8.316 1.00 0.00 O ATOM 967 CB HIS A 67 8.227 -0.390 6.596 1.00 0.00 C ATOM 968 CG HIS A 67 9.481 0.067 5.918 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.830 -0.321 4.641 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.471 0.886 6.344 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.982 0.237 4.313 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.391 0.975 5.329 1.00 0.00 N ATOM 0 H HIS A 67 8.205 1.928 7.500 1.00 0.00 H new ATOM 0 HA HIS A 67 6.813 0.634 5.345 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.422 -0.507 7.662 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.954 -1.373 6.212 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.527 1.378 7.304 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.501 0.111 3.374 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.251 1.522 5.355 1.00 0.00 H new ATOM 981 N TYR A 68 4.697 -0.034 6.433 1.00 0.00 N ATOM 982 CA TYR A 68 3.454 -0.526 7.015 1.00 0.00 C ATOM 983 C TYR A 68 3.198 -1.975 6.612 1.00 0.00 C ATOM 984 O TYR A 68 2.648 -2.245 5.544 1.00 0.00 O ATOM 985 CB TYR A 68 2.279 0.351 6.579 1.00 0.00 C ATOM 986 CG TYR A 68 2.441 1.808 6.951 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.698 2.186 8.263 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.337 2.806 5.990 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.846 3.516 8.607 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.484 4.138 6.325 1.00 0.00 C ATOM 991 CZ TYR A 68 2.738 4.488 7.635 1.00 0.00 C ATOM 992 OH TYR A 68 2.886 5.814 7.973 1.00 0.00 O ATOM 0 H TYR A 68 4.621 0.251 5.457 1.00 0.00 H new ATOM 0 HA TYR A 68 3.549 -0.481 8.100 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.158 0.272 5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.364 -0.031 7.031 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.784 1.427 9.027 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.138 2.536 4.964 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.045 3.793 9.632 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.401 4.901 5.565 1.00 0.00 H new ATOM 0 HH TYR A 68 2.782 6.369 7.172 1.00 0.00 H new ATOM 1002 N ILE A 69 3.602 -2.902 7.473 1.00 0.00 N ATOM 1003 CA ILE A 69 3.416 -4.323 7.208 1.00 0.00 C ATOM 1004 C ILE A 69 1.936 -4.668 7.076 1.00 0.00 C ATOM 1005 O ILE A 69 1.090 -4.092 7.760 1.00 0.00 O ATOM 1006 CB ILE A 69 4.036 -5.189 8.321 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.562 -5.092 8.282 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.588 -6.636 8.177 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.245 -5.854 9.397 1.00 0.00 C ATOM 0 H ILE A 69 4.060 -2.695 8.360 1.00 0.00 H new ATOM 0 HA ILE A 69 3.922 -4.538 6.267 1.00 0.00 H new ATOM 0 HB ILE A 69 3.692 -4.816 9.286 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.918 -5.470 7.324 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.853 -4.043 8.339 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.034 -7.236 8.970 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.502 -6.689 8.249 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.907 -7.021 7.208 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.325 -5.741 9.307 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.918 -5.461 10.360 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.984 -6.910 9.329 1.00 0.00 H new ATOM 1021 N ILE A 70 1.632 -5.614 6.193 1.00 0.00 N ATOM 1022 CA ILE A 70 0.255 -6.038 5.973 1.00 0.00 C ATOM 1023 C ILE A 70 0.050 -7.486 6.403 1.00 0.00 C ATOM 1024 O ILE A 70 0.688 -8.397 5.876 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.150 -5.891 4.494 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.050 -4.428 4.058 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.560 -6.420 4.276 1.00 0.00 C ATOM 1028 CD1 ILE A 70 1.301 -4.058 3.489 1.00 0.00 C ATOM 0 H ILE A 70 2.320 -6.101 5.619 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.376 -5.389 6.580 1.00 0.00 H new ATOM 0 HB ILE A 70 0.536 -6.479 3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.817 -4.227 3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.263 -3.787 4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.832 -6.309 3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.600 -7.474 4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.260 -5.856 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.299 -3.007 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.071 -4.227 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.508 -4.673 2.613 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.845 -7.692 7.364 1.00 0.00 N ATOM 1041 CA ASN A 71 -1.135 -9.031 7.864 1.00 0.00 C ATOM 1042 C ASN A 71 -2.124 -9.750 6.952 1.00 0.00 C ATOM 1043 O ASN A 71 -3.234 -9.270 6.721 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.697 -8.956 9.286 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.684 -8.422 10.280 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.996 -7.554 11.096 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.537 -8.940 10.217 1.00 0.00 N ATOM 0 H ASN A 71 -1.382 -6.949 7.812 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.203 -9.597 7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.580 -8.316 9.292 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.021 -9.949 9.599 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.260 -8.620 10.861 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.751 -9.658 9.525 1.00 0.00 H new ATOM 1054 N SER A 72 -1.713 -10.905 6.437 1.00 0.00 N ATOM 1055 CA SER A 72 -2.561 -11.689 5.547 1.00 0.00 C ATOM 1056 C SER A 72 -3.560 -12.522 6.344 1.00 0.00 C ATOM 1057 O SER A 72 -3.194 -13.509 6.984 1.00 0.00 O ATOM 1058 CB SER A 72 -1.705 -12.603 4.668 1.00 0.00 C ATOM 1059 OG SER A 72 -2.503 -13.574 4.013 1.00 0.00 O ATOM 0 H SER A 72 -0.799 -11.318 6.621 1.00 0.00 H new ATOM 0 HA SER A 72 -3.115 -10.999 4.911 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.172 -12.006 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.951 -13.099 5.279 1.00 0.00 H new ATOM 0 HG SER A 72 -1.933 -14.145 3.456 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.825 -12.117 6.301 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.880 -12.825 7.018 1.00 0.00 C ATOM 1067 C LEU A 73 -6.326 -14.064 6.248 1.00 0.00 C ATOM 1068 O LEU A 73 -6.380 -14.074 5.018 1.00 0.00 O ATOM 1069 CB LEU A 73 -7.074 -11.899 7.252 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.764 -10.560 7.923 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -8.016 -9.699 8.000 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.181 -10.781 9.311 1.00 0.00 C ATOM 0 H LEU A 73 -5.145 -11.302 5.777 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.480 -13.143 7.981 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.548 -11.700 6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.805 -12.429 7.864 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.023 -10.036 7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.776 -8.750 8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.391 -9.512 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.779 -10.217 8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.967 -9.817 9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.898 -11.326 9.924 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.260 -11.358 9.231 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.655 -15.134 6.987 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.105 -16.397 6.395 1.00 0.00 C ATOM 1086 C PRO A 74 -8.490 -16.282 5.767 1.00 0.00 C ATOM 1087 O PRO A 74 -8.917 -17.160 5.018 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.137 -17.356 7.587 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.327 -16.478 8.775 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.615 -15.192 8.458 1.00 0.00 C ATOM 0 HA PRO A 74 -6.452 -16.723 5.585 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.949 -18.077 7.493 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.211 -17.927 7.661 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.386 -16.301 8.964 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.916 -16.941 9.672 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.115 -14.334 8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.591 -15.197 8.832 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.187 -15.193 6.076 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.524 -14.964 5.541 1.00 0.00 C ATOM 1100 C ASN A 75 -10.454 -14.303 4.168 1.00 0.00 C ATOM 1101 O ASN A 75 -11.368 -13.580 3.769 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.336 -14.090 6.500 1.00 0.00 C ATOM 1103 CG ASN A 75 -10.751 -12.699 6.651 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -9.582 -12.469 6.341 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -11.563 -11.765 7.130 1.00 0.00 N ATOM 0 H ASN A 75 -8.848 -14.456 6.694 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.017 -15.930 5.435 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.361 -14.013 6.137 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.379 -14.571 7.477 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.225 -10.811 7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.525 -12.002 7.374 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.365 -14.556 3.450 1.00 0.00 N ATOM 1113 CA ARG A 76 -9.176 -13.985 2.122 1.00 0.00 C ATOM 1114 C ARG A 76 -9.166 -12.461 2.181 1.00 0.00 C ATOM 1115 O ARG A 76 -9.679 -11.791 1.285 1.00 0.00 O ATOM 1116 CB ARG A 76 -10.281 -14.462 1.177 1.00 0.00 C ATOM 1117 CG ARG A 76 -9.949 -15.759 0.457 1.00 0.00 C ATOM 1118 CD ARG A 76 -10.869 -15.987 -0.732 1.00 0.00 C ATOM 1119 NE ARG A 76 -10.366 -17.033 -1.620 1.00 0.00 N ATOM 1120 CZ ARG A 76 -11.065 -17.537 -2.630 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -12.289 -17.094 -2.881 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -10.539 -18.487 -3.394 1.00 0.00 N ATOM 0 H ARG A 76 -8.600 -15.153 3.765 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.211 -14.323 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.201 -14.597 1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.475 -13.685 0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.914 -15.733 0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.036 -16.595 1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.862 -16.261 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.976 -15.057 -1.291 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.427 -17.396 -1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.697 -16.364 -2.297 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.823 -17.484 -3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.597 -18.830 -3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.077 -18.874 -4.170 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.578 -11.919 3.243 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.502 -10.474 3.421 1.00 0.00 C ATOM 1138 C ARG A 77 -7.171 -10.072 4.050 1.00 0.00 C ATOM 1139 O ARG A 77 -6.428 -10.918 4.549 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.659 -9.985 4.294 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.902 -9.610 3.503 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.831 -10.801 3.329 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.071 -10.434 2.650 1.00 0.00 N ATOM 1144 CZ ARG A 77 -13.882 -11.314 2.073 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -13.586 -12.606 2.094 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -14.993 -10.902 1.475 1.00 0.00 N ATOM 0 H ARG A 77 -8.147 -12.459 3.993 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.575 -10.008 2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.916 -10.764 5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.329 -9.119 4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.431 -8.806 4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.611 -9.228 2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.322 -11.578 2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.064 -11.224 4.306 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.329 -9.448 2.617 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.734 -12.927 2.554 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.210 -13.280 1.650 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.225 -9.909 1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.615 -11.579 1.032 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.876 -8.777 4.021 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.634 -8.263 4.587 1.00 0.00 C ATOM 1162 C PHE A 78 -5.913 -7.388 5.806 1.00 0.00 C ATOM 1163 O PHE A 78 -7.052 -6.993 6.053 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.863 -7.463 3.536 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.526 -8.257 2.306 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -5.529 -8.736 1.479 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -3.207 -8.524 1.978 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -5.222 -9.467 0.346 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -2.894 -9.254 0.847 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.903 -9.727 0.030 1.00 0.00 C ATOM 0 H PHE A 78 -7.480 -8.064 3.612 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.028 -9.113 4.903 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.454 -6.594 3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.941 -7.088 3.981 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.562 -8.536 1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.414 -8.158 2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.013 -9.834 -0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.861 -9.455 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.661 -10.299 -0.854 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.864 -7.089 6.564 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.993 -6.260 7.757 1.00 0.00 C ATOM 1182 C LYS A 79 -3.720 -5.455 8.000 1.00 0.00 C ATOM 1183 O LYS A 79 -2.706 -5.997 8.440 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.299 -7.131 8.977 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.222 -6.380 10.295 1.00 0.00 C ATOM 1186 CD LYS A 79 -4.932 -7.317 11.455 1.00 0.00 C ATOM 1187 CE LYS A 79 -5.544 -6.807 12.751 1.00 0.00 C ATOM 1188 NZ LYS A 79 -6.929 -7.318 12.949 1.00 0.00 N ATOM 0 H LYS A 79 -3.914 -7.408 6.374 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.817 -5.564 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.297 -7.556 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.598 -7.965 9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.443 -5.620 10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.163 -5.859 10.473 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.326 -8.308 11.231 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.854 -7.423 11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.921 -7.112 13.592 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.557 -5.717 12.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.429 -6.711 13.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.435 -7.310 12.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.891 -8.290 13.316 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.782 -4.159 7.712 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.635 -3.280 7.903 1.00 0.00 C ATOM 1204 C ILE A 80 -2.647 -2.653 9.293 1.00 0.00 C ATOM 1205 O ILE A 80 -3.429 -1.745 9.569 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.604 -2.159 6.847 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.469 -1.177 7.147 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -3.941 -1.434 6.804 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -0.930 -0.482 5.917 1.00 0.00 C ATOM 0 H ILE A 80 -4.613 -3.695 7.346 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.743 -3.897 7.794 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.424 -2.606 5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.826 -0.426 7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.656 -1.713 7.637 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.903 -0.645 6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.730 -2.141 6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.149 -0.996 7.780 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.129 0.198 6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.542 -1.225 5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.730 0.082 5.438 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.772 -3.145 10.165 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.698 -2.620 11.516 1.00 0.00 C ATOM 1223 C GLY A 81 -2.820 -3.129 12.399 1.00 0.00 C ATOM 1224 O GLY A 81 -2.811 -4.286 12.822 1.00 0.00 O ATOM 0 H GLY A 81 -1.114 -3.897 9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.740 -2.895 11.957 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.733 -1.531 11.482 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.789 -2.265 12.679 1.00 0.00 N ATOM 1229 CA ASP A 82 -4.923 -2.633 13.518 1.00 0.00 C ATOM 1230 C ASP A 82 -6.233 -2.505 12.747 1.00 0.00 C ATOM 1231 O ASP A 82 -7.313 -2.494 13.338 1.00 0.00 O ATOM 1232 CB ASP A 82 -4.966 -1.754 14.769 1.00 0.00 C ATOM 1233 CG ASP A 82 -5.685 -2.425 15.924 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -5.513 -3.650 16.098 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -6.417 -1.725 16.653 1.00 0.00 O ATOM 0 H ASP A 82 -3.812 -1.304 12.337 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.798 -3.673 13.818 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.948 -1.508 15.072 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.464 -0.814 14.532 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.129 -2.409 11.425 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.306 -2.281 10.574 1.00 0.00 C ATOM 1242 C GLN A 83 -7.378 -3.425 9.569 1.00 0.00 C ATOM 1243 O GLN A 83 -6.367 -4.053 9.257 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.285 -0.940 9.838 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.421 0.262 10.759 1.00 0.00 C ATOM 1246 CD GLN A 83 -8.765 0.311 11.460 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -9.709 -0.373 11.065 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -8.857 1.121 12.508 1.00 0.00 N ATOM 0 H GLN A 83 -5.242 -2.417 10.921 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.190 -2.325 11.210 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.352 -0.856 9.280 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.095 -0.922 9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.627 0.235 11.505 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.284 1.176 10.181 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.049 1.670 12.801 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.736 1.194 13.020 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.579 -3.690 9.066 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.782 -4.760 8.096 1.00 0.00 C ATOM 1259 C GLU A 84 -9.502 -4.240 6.855 1.00 0.00 C ATOM 1260 O GLU A 84 -10.304 -3.309 6.933 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.584 -5.902 8.724 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.943 -6.480 9.974 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.868 -7.420 10.722 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.820 -6.930 11.366 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.641 -8.647 10.663 1.00 0.00 O ATOM 0 H GLU A 84 -9.426 -3.179 9.314 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.803 -5.135 7.796 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.582 -5.541 8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.706 -6.697 7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.034 -7.014 9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.646 -5.666 10.635 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.209 -4.848 5.710 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.826 -4.447 4.451 1.00 0.00 C ATOM 1274 C PHE A 85 -10.195 -5.668 3.613 1.00 0.00 C ATOM 1275 O PHE A 85 -9.837 -6.797 3.950 1.00 0.00 O ATOM 1276 CB PHE A 85 -8.881 -3.539 3.662 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.628 -2.216 4.326 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.539 -1.179 4.203 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.480 -2.008 5.072 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.308 0.040 4.812 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.243 -0.792 5.684 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.160 0.234 5.554 1.00 0.00 C ATOM 0 H PHE A 85 -8.548 -5.620 5.628 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.739 -3.897 4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.930 -4.053 3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.300 -3.365 2.671 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.439 -1.325 3.625 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.761 -2.807 5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.025 0.841 4.707 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.343 -0.644 6.263 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.979 1.185 6.032 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.913 -5.432 2.521 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.331 -6.511 1.633 1.00 0.00 C ATOM 1294 C ASP A 86 -10.143 -7.061 0.850 1.00 0.00 C ATOM 1295 O ASP A 86 -10.111 -8.241 0.498 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.410 -6.017 0.668 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.133 -7.156 -0.024 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -12.511 -8.221 -0.223 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -14.322 -6.983 -0.365 1.00 0.00 O ATOM 0 H ASP A 86 -11.218 -4.503 2.229 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.742 -7.314 2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.132 -5.411 1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.954 -5.371 -0.082 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.168 -6.199 0.579 1.00 0.00 N ATOM 1305 CA HIS A 87 -7.978 -6.599 -0.163 1.00 0.00 C ATOM 1306 C HIS A 87 -6.974 -5.452 -0.238 1.00 0.00 C ATOM 1307 O HIS A 87 -7.175 -4.396 0.364 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.359 -7.052 -1.573 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.499 -6.280 -2.162 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.369 -4.994 -2.642 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.795 -6.621 -2.350 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.537 -4.576 -3.098 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.419 -5.545 -2.932 1.00 0.00 N ATOM 0 H HIS A 87 -9.179 -5.219 0.862 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.513 -7.432 0.365 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.490 -6.955 -2.224 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.622 -8.110 -1.548 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.253 -7.564 -2.091 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.736 -3.607 -3.532 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.404 -5.501 -3.194 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.893 -5.667 -0.979 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.857 -4.651 -1.132 1.00 0.00 C ATOM 1324 C LEU A 88 -5.440 -3.357 -1.689 1.00 0.00 C ATOM 1325 O LEU A 88 -5.372 -2.297 -1.066 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.747 -5.162 -2.054 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.542 -5.800 -1.363 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.619 -6.445 -2.386 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.788 -4.764 -0.541 1.00 0.00 C ATOM 0 H LEU A 88 -5.711 -6.535 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.438 -4.444 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.178 -5.893 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.393 -4.328 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.904 -6.577 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.767 -6.894 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.163 -7.216 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.265 -5.688 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.933 -5.236 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.439 -3.965 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.451 -4.348 0.217 1.00 0.00 H new ATOM 1341 N PRO A 89 -6.031 -3.443 -2.891 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.641 -2.288 -3.557 1.00 0.00 C ATOM 1343 C PRO A 89 -7.912 -1.819 -2.856 1.00 0.00 C ATOM 1344 O PRO A 89 -8.653 -0.990 -3.384 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.966 -2.817 -4.956 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.112 -4.289 -4.780 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.149 -4.673 -3.691 1.00 0.00 C ATOM 0 HA PRO A 89 -5.980 -1.421 -3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.882 -2.372 -5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.171 -2.580 -5.663 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.134 -4.550 -4.507 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.885 -4.817 -5.706 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.526 -5.505 -3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.186 -4.982 -4.097 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.158 -2.355 -1.665 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.338 -1.989 -0.892 1.00 0.00 C ATOM 1357 C ALA A 90 -8.956 -1.175 0.340 1.00 0.00 C ATOM 1358 O ALA A 90 -9.792 -0.482 0.922 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.109 -3.236 -0.484 1.00 0.00 C ATOM 0 H ALA A 90 -7.556 -3.044 -1.215 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.977 -1.369 -1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.988 -2.948 0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.422 -3.778 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.470 -3.876 0.124 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.690 -1.263 0.732 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.197 -0.534 1.896 1.00 0.00 C ATOM 1367 C LEU A 91 -6.589 0.803 1.484 1.00 0.00 C ATOM 1368 O LEU A 91 -6.787 1.820 2.151 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.159 -1.371 2.644 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.795 -1.510 1.967 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.862 -0.394 2.411 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.185 -2.871 2.271 1.00 0.00 C ATOM 0 H LEU A 91 -6.986 -1.832 0.261 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.042 -0.339 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.010 -0.932 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.569 -2.369 2.798 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.936 -1.430 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.896 -0.510 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.294 0.570 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.726 -0.441 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.215 -2.952 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.058 -2.980 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.845 -3.656 1.902 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.850 0.795 0.380 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.214 2.008 -0.123 1.00 0.00 C ATOM 1386 C LEU A 92 -6.258 3.056 -0.495 1.00 0.00 C ATOM 1387 O LEU A 92 -6.113 4.233 -0.166 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.345 1.685 -1.340 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.296 0.590 -1.143 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.738 0.138 -2.483 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.177 1.080 -0.235 1.00 0.00 C ATOM 0 H LEU A 92 -5.676 -0.037 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.584 2.413 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.999 1.391 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.835 2.597 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.776 -0.264 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.993 -0.641 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.546 -0.254 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.274 0.985 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.440 0.288 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.699 1.951 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.590 1.353 0.736 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.311 2.620 -1.179 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.379 3.521 -1.593 1.00 0.00 C ATOM 1405 C GLU A 93 -9.068 4.142 -0.381 1.00 0.00 C ATOM 1406 O GLU A 93 -9.604 5.247 -0.456 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.404 2.774 -2.449 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.223 1.758 -1.670 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.591 1.520 -2.280 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -11.788 1.887 -3.457 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -12.463 0.965 -1.580 1.00 0.00 O ATOM 0 H GLU A 93 -7.447 1.648 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.935 4.321 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.078 3.497 -2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.885 2.264 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.679 0.814 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.342 2.104 -0.643 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.050 3.421 0.735 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.674 3.899 1.964 1.00 0.00 C ATOM 1420 C PHE A 94 -8.766 4.890 2.685 1.00 0.00 C ATOM 1421 O PHE A 94 -9.237 5.846 3.301 1.00 0.00 O ATOM 1422 CB PHE A 94 -9.998 2.723 2.887 1.00 0.00 C ATOM 1423 CG PHE A 94 -10.495 3.142 4.241 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -9.605 3.494 5.242 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -11.854 3.185 4.512 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -10.059 3.881 6.489 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -12.314 3.572 5.756 1.00 0.00 C ATOM 1428 CZ PHE A 94 -11.416 3.919 6.746 1.00 0.00 C ATOM 0 H PHE A 94 -8.610 2.504 0.814 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.600 4.409 1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.751 2.095 2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.104 2.111 3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.543 3.466 5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.561 2.913 3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.354 4.153 7.261 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -13.375 3.603 5.954 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.774 4.220 7.720 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.461 4.656 2.603 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.486 5.526 3.249 1.00 0.00 C ATOM 1440 C TYR A 95 -6.291 6.813 2.453 1.00 0.00 C ATOM 1441 O TYR A 95 -5.636 7.749 2.913 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.147 4.801 3.403 1.00 0.00 C ATOM 1443 CG TYR A 95 -5.091 3.882 4.602 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.214 4.383 5.893 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.913 2.513 4.446 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -5.162 3.547 6.991 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.862 1.670 5.538 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.987 2.191 6.809 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.935 1.355 7.900 1.00 0.00 O ATOM 0 H TYR A 95 -7.054 3.871 2.095 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.867 5.785 4.237 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.952 4.221 2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.350 5.540 3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.353 5.444 6.040 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.813 2.101 3.453 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.258 3.953 7.987 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.725 0.608 5.398 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.659 0.697 7.843 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.866 6.852 1.256 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.759 8.024 0.394 1.00 0.00 C ATOM 1461 C LYS A 96 -7.320 9.262 1.087 1.00 0.00 C ATOM 1462 O LYS A 96 -6.988 10.391 0.725 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.502 7.783 -0.922 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.656 7.096 -1.981 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.383 7.019 -3.313 1.00 0.00 C ATOM 1466 CE LYS A 96 -6.506 6.404 -4.392 1.00 0.00 C ATOM 1467 NZ LYS A 96 -7.314 5.740 -5.452 1.00 0.00 N ATOM 0 H LYS A 96 -7.411 6.086 0.860 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.703 8.194 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.386 7.176 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.852 8.739 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.719 7.639 -2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.399 6.091 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.291 6.427 -3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.691 8.019 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.885 7.179 -4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.831 5.677 -3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.720 5.575 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.672 4.831 -5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.115 6.350 -5.711 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.170 9.042 2.084 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.774 10.140 2.828 1.00 0.00 C ATOM 1483 C ILE A 97 -8.281 10.163 4.271 1.00 0.00 C ATOM 1484 O ILE A 97 -8.095 11.230 4.858 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.311 10.045 2.825 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.768 8.788 3.568 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.838 10.044 1.397 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.270 8.681 3.707 1.00 0.00 C ATOM 0 H ILE A 97 -8.456 8.114 2.395 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.474 11.061 2.329 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.715 10.916 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.396 7.909 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.318 8.779 4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -11.926 9.976 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.538 10.965 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.428 9.190 0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.521 7.766 4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.646 9.541 4.260 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.726 8.658 2.717 1.00 0.00 H new ATOM 1500 N HIS A 98 -8.068 8.979 4.837 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.594 8.863 6.212 1.00 0.00 C ATOM 1502 C HIS A 98 -6.069 8.839 6.260 1.00 0.00 C ATOM 1503 O HIS A 98 -5.426 8.102 5.512 1.00 0.00 O ATOM 1504 CB HIS A 98 -8.156 7.599 6.863 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.619 7.686 7.174 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -10.324 6.660 7.766 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.509 8.686 6.972 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.586 7.024 7.914 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.724 8.250 7.441 1.00 0.00 N ATOM 0 H HIS A 98 -8.216 8.087 4.365 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.944 9.734 6.766 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.984 6.751 6.200 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.608 7.400 7.784 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -9.933 5.761 8.046 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.302 9.647 6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.371 6.422 8.348 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.497 9.649 7.143 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.048 9.722 7.286 1.00 0.00 C ATOM 1520 C TYR A 99 -3.529 8.589 8.165 1.00 0.00 C ATOM 1521 O TYR A 99 -3.833 8.522 9.357 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.641 11.071 7.881 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.383 12.246 7.284 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.657 12.584 7.725 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.812 13.016 6.279 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.339 13.655 7.181 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -4.486 14.090 5.731 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.749 14.405 6.185 1.00 0.00 C ATOM 1529 OH TYR A 99 -6.425 15.473 5.641 1.00 0.00 O ATOM 0 H TYR A 99 -6.014 10.264 7.771 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.605 9.620 6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -3.815 11.051 8.957 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.571 11.215 7.734 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.121 12.000 8.506 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.824 12.771 5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.329 13.904 7.534 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.026 14.679 4.952 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.870 15.896 4.953 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.743 7.699 7.569 1.00 0.00 N ATOM 1540 CA LEU A 100 -2.180 6.567 8.296 1.00 0.00 C ATOM 1541 C LEU A 100 -1.587 7.016 9.628 1.00 0.00 C ATOM 1542 O LEU A 100 -2.127 6.712 10.693 1.00 0.00 O ATOM 1543 CB LEU A 100 -1.105 5.878 7.454 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.550 5.373 6.081 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.394 5.423 5.093 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -2.103 3.960 6.185 1.00 0.00 C ATOM 0 H LEU A 100 -2.481 7.740 6.584 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.985 5.860 8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.280 6.576 7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.714 5.033 8.021 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.343 6.026 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.730 5.060 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.043 6.450 4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.420 4.795 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.415 3.618 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.331 3.295 6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.960 3.953 6.859 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.477 7.741 9.561 1.00 0.00 N ATOM 1559 CA ASP A 101 0.187 8.235 10.762 1.00 0.00 C ATOM 1560 C ASP A 101 0.066 9.753 10.865 1.00 0.00 C ATOM 1561 O ASP A 101 -0.561 10.276 11.786 1.00 0.00 O ATOM 1562 CB ASP A 101 1.662 7.828 10.760 1.00 0.00 C ATOM 1563 CG ASP A 101 2.216 7.653 12.160 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.414 7.438 13.093 1.00 0.00 O ATOM 1565 OD2 ASP A 101 3.452 7.732 12.323 1.00 0.00 O ATOM 0 H ASP A 101 -0.017 8.000 8.688 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.304 7.789 11.627 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.778 6.896 10.207 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.244 8.585 10.234 1.00 0.00 H new ATOM 1570 N THR A 102 0.673 10.455 9.913 1.00 0.00 N ATOM 1571 CA THR A 102 0.635 11.912 9.897 1.00 0.00 C ATOM 1572 C THR A 102 0.309 12.439 8.504 1.00 0.00 C ATOM 1573 O THR A 102 0.227 13.648 8.289 1.00 0.00 O ATOM 1574 CB THR A 102 1.975 12.514 10.360 1.00 0.00 C ATOM 1575 OG1 THR A 102 1.780 13.861 10.805 1.00 0.00 O ATOM 1576 CG2 THR A 102 2.998 12.489 9.234 1.00 0.00 C ATOM 0 H THR A 102 1.197 10.038 9.143 1.00 0.00 H new ATOM 0 HA THR A 102 -0.150 12.215 10.590 1.00 0.00 H new ATOM 0 HB THR A 102 2.353 11.911 11.186 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.163 14.320 10.197 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.936 12.919 9.585 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.167 11.459 8.918 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.625 13.070 8.391 1.00 0.00 H new ATOM 1584 N THR A 103 0.124 11.522 7.558 1.00 0.00 N ATOM 1585 CA THR A 103 -0.192 11.895 6.185 1.00 0.00 C ATOM 1586 C THR A 103 -1.016 10.812 5.498 1.00 0.00 C ATOM 1587 O THR A 103 -1.197 9.719 6.036 1.00 0.00 O ATOM 1588 CB THR A 103 1.086 12.151 5.364 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.776 12.938 4.208 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.724 10.839 4.933 1.00 0.00 C ATOM 0 H THR A 103 0.188 10.517 7.718 1.00 0.00 H new ATOM 0 HA THR A 103 -0.774 12.815 6.233 1.00 0.00 H new ATOM 0 HB THR A 103 1.793 12.692 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.594 13.098 3.692 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.625 11.045 4.355 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.985 10.254 5.815 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.020 10.276 4.320 1.00 0.00 H new ATOM 1598 N THR A 104 -1.514 11.121 4.304 1.00 0.00 N ATOM 1599 CA THR A 104 -2.319 10.174 3.543 1.00 0.00 C ATOM 1600 C THR A 104 -1.540 9.621 2.355 1.00 0.00 C ATOM 1601 O THR A 104 -0.381 9.977 2.138 1.00 0.00 O ATOM 1602 CB THR A 104 -3.618 10.824 3.033 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.366 12.176 2.634 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.694 10.800 4.109 1.00 0.00 C ATOM 0 H THR A 104 -1.374 12.020 3.844 1.00 0.00 H new ATOM 0 HA THR A 104 -2.572 9.358 4.220 1.00 0.00 H new ATOM 0 HB THR A 104 -3.971 10.252 2.175 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.197 12.582 2.309 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.602 11.265 3.726 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.905 9.768 4.390 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.346 11.350 4.983 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.183 8.748 1.587 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.551 8.145 0.419 1.00 0.00 C ATOM 1614 C LEU A 105 -1.850 8.954 -0.840 1.00 0.00 C ATOM 1615 O LEU A 105 -2.967 8.923 -1.358 1.00 0.00 O ATOM 1616 CB LEU A 105 -2.033 6.705 0.240 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.698 5.739 1.377 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.310 4.372 1.115 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.191 5.625 1.554 1.00 0.00 C ATOM 0 H LEU A 105 -3.142 8.442 1.752 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.473 8.143 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.115 6.719 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.605 6.312 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.124 6.134 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.061 3.699 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.393 4.467 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.915 3.969 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.029 4.933 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.257 5.254 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.223 6.605 1.790 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.846 9.674 -1.327 1.00 0.00 N ATOM 1632 CA ILE A 106 -1.001 10.487 -2.527 1.00 0.00 C ATOM 1633 C ILE A 106 -0.925 9.629 -3.786 1.00 0.00 C ATOM 1634 O ILE A 106 -1.913 9.474 -4.502 1.00 0.00 O ATOM 1635 CB ILE A 106 0.074 11.587 -2.604 1.00 0.00 C ATOM 1636 CG1 ILE A 106 0.049 12.444 -1.336 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.140 12.451 -3.838 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.172 13.330 -1.230 1.00 0.00 C ATOM 0 H ILE A 106 0.084 9.711 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.984 10.954 -2.467 1.00 0.00 H new ATOM 0 HB ILE A 106 1.053 11.114 -2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.091 11.791 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.943 13.067 -1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.628 13.224 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.078 11.830 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.123 12.919 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.123 13.908 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.204 14.008 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.070 12.712 -1.224 1.00 0.00 H new ATOM 1650 N GLU A 107 0.254 9.074 -4.047 1.00 0.00 N ATOM 1651 CA GLU A 107 0.458 8.231 -5.219 1.00 0.00 C ATOM 1652 C GLU A 107 1.620 7.266 -5.000 1.00 0.00 C ATOM 1653 O GLU A 107 2.554 7.540 -4.247 1.00 0.00 O ATOM 1654 CB GLU A 107 0.723 9.093 -6.455 1.00 0.00 C ATOM 1655 CG GLU A 107 1.945 9.986 -6.324 1.00 0.00 C ATOM 1656 CD GLU A 107 2.186 10.830 -7.561 1.00 0.00 C ATOM 1657 OE1 GLU A 107 2.408 10.248 -8.643 1.00 0.00 O ATOM 1658 OE2 GLU A 107 2.153 12.073 -7.445 1.00 0.00 O ATOM 0 H GLU A 107 1.082 9.193 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.450 7.649 -5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.850 8.443 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.151 9.714 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.822 10.640 -5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.823 9.369 -6.133 1.00 0.00 H new ATOM 1665 N PRO A 108 1.561 6.108 -5.674 1.00 0.00 N ATOM 1666 CA PRO A 108 2.600 5.078 -5.571 1.00 0.00 C ATOM 1667 C PRO A 108 3.908 5.507 -6.226 1.00 0.00 C ATOM 1668 O PRO A 108 3.906 6.185 -7.253 1.00 0.00 O ATOM 1669 CB PRO A 108 1.994 3.887 -6.316 1.00 0.00 C ATOM 1670 CG PRO A 108 1.025 4.491 -7.273 1.00 0.00 C ATOM 1671 CD PRO A 108 0.478 5.714 -6.590 1.00 0.00 C ATOM 0 HA PRO A 108 2.859 4.862 -4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.761 3.315 -6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.497 3.202 -5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.515 4.754 -8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.227 3.789 -7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.249 6.504 -7.305 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.444 5.495 -6.051 1.00 0.00 H new ATOM 1679 N ALA A 109 5.024 5.106 -5.625 1.00 0.00 N ATOM 1680 CA ALA A 109 6.340 5.447 -6.152 1.00 0.00 C ATOM 1681 C ALA A 109 6.573 4.795 -7.511 1.00 0.00 C ATOM 1682 O ALA A 109 6.048 3.722 -7.810 1.00 0.00 O ATOM 1683 CB ALA A 109 7.426 5.029 -5.172 1.00 0.00 C ATOM 0 H ALA A 109 5.043 4.545 -4.773 1.00 0.00 H new ATOM 0 HA ALA A 109 6.382 6.528 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.403 5.290 -5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.278 5.545 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.376 3.952 -5.011 1.00 0.00 H new ATOM 1689 N PRO A 110 7.377 5.457 -8.356 1.00 0.00 N ATOM 1690 CA PRO A 110 7.698 4.960 -9.697 1.00 0.00 C ATOM 1691 C PRO A 110 8.590 3.724 -9.660 1.00 0.00 C ATOM 1692 O PRO A 110 9.423 3.575 -8.766 1.00 0.00 O ATOM 1693 CB PRO A 110 8.437 6.134 -10.343 1.00 0.00 C ATOM 1694 CG PRO A 110 9.014 6.894 -9.199 1.00 0.00 C ATOM 1695 CD PRO A 110 8.037 6.741 -8.066 1.00 0.00 C ATOM 0 HA PRO A 110 6.806 4.649 -10.240 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.217 5.786 -11.021 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.759 6.755 -10.929 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.994 6.503 -8.925 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.151 7.944 -9.457 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.541 6.724 -7.100 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.322 7.563 -8.038 1.00 0.00 H new ATOM 1703 N ARG A 111 8.411 2.841 -10.636 1.00 0.00 N ATOM 1704 CA ARG A 111 9.200 1.617 -10.714 1.00 0.00 C ATOM 1705 C ARG A 111 10.640 1.924 -11.116 1.00 0.00 C ATOM 1706 O ARG A 111 10.934 2.138 -12.292 1.00 0.00 O ATOM 1707 CB ARG A 111 8.576 0.645 -11.717 1.00 0.00 C ATOM 1708 CG ARG A 111 7.064 0.768 -11.823 1.00 0.00 C ATOM 1709 CD ARG A 111 6.660 1.709 -12.947 1.00 0.00 C ATOM 1710 NE ARG A 111 6.438 0.998 -14.203 1.00 0.00 N ATOM 1711 CZ ARG A 111 7.354 0.894 -15.160 1.00 0.00 C ATOM 1712 NH1 ARG A 111 8.547 1.451 -15.004 1.00 0.00 N ATOM 1713 NH2 ARG A 111 7.077 0.231 -16.275 1.00 0.00 N ATOM 0 H ARG A 111 7.726 2.950 -11.384 1.00 0.00 H new ATOM 0 HA ARG A 111 9.206 1.155 -9.727 1.00 0.00 H new ATOM 0 HB2 ARG A 111 9.016 0.817 -12.699 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.830 -0.375 -11.428 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.629 -0.216 -11.997 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.660 1.133 -10.879 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.751 2.240 -12.666 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.437 2.460 -13.088 1.00 0.00 H new ATOM 0 HE ARG A 111 5.531 0.557 -14.354 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.764 1.961 -14.148 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.248 1.369 -15.740 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.160 -0.199 -16.398 1.00 0.00 H new ATOM 0 HH22 ARG A 111 7.781 0.152 -17.009 1.00 0.00 H new TER 1727 ARG A 111