USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 814 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 72 LYS NZ :NH3+ -162:sc= 0.228 (180deg=0) USER MOD Set 1.2: A 75 GLN : amide:sc= 0.188 K(o=0.42,f=-2.7) USER MOD Set 2.1: A 58 GLN : amide:sc= -0.0537 K(o=-0.081,f=-0.84) USER MOD Set 2.2: A 60 LYS NZ :NH3+ -153:sc= -0.0276 (180deg=0) USER MOD Set 3.1: A 14 ASN :FLIP amide:sc= 0.35 F(o=-1.4,f=0.32) USER MOD Set 3.2: A 17 MET CE :methyl 180:sc= -0.0288 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ 145:sc= 0.0413 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -68:sc= 0.617 USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0109) USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00346) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 13 HIS : no HD1:sc= -0.0765 X(o=-0.077,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -50:sc= 0.634 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 22 THR OG1 : rot -170:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.09! C(o=-1.1!,f=-2.4!) USER MOD Single : A 31 ASN : amide:sc= -0.374 K(o=-0.37,f=-3.1!) USER MOD Single : A 36 THR OG1 : rot 70:sc= 0.0101 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00481 X(o=-0.0048,f=-2e-05) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00512) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0189) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= -0.186 (180deg=-0.256) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS :FLIP no HE2:sc=-7.86e-05 F(o=-0.54,f=-7.9e-05) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 66 HIS : no HD1:sc= -0.372 X(o=-0.37,f=-0.15) USER MOD Single : A 67 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 83 ASN : amide:sc= -0.065 K(o=-0.065,f=-1.3) USER MOD Single : A 84 THR OG1 : rot 43:sc= 0.317 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -63:sc= 0.0621 USER MOD Single : A 92 GLN : amide:sc=-0.00139 X(o=-0.0014,f=-0.0077) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 80.191 17.527 -1.722 1.00 0.00 N ATOM 2 CA ARG A 1 79.788 18.541 -2.681 1.00 0.00 C ATOM 3 C ARG A 1 80.623 18.426 -3.957 1.00 0.00 C ATOM 4 O ARG A 1 81.788 18.035 -3.908 1.00 0.00 O ATOM 5 CB ARG A 1 79.951 19.946 -2.098 1.00 0.00 C ATOM 6 CG ARG A 1 78.593 20.548 -1.729 1.00 0.00 C ATOM 7 CD ARG A 1 78.759 21.940 -1.116 1.00 0.00 C ATOM 8 NE ARG A 1 78.664 21.858 0.358 1.00 0.00 N ATOM 9 CZ ARG A 1 78.885 22.898 1.190 1.00 0.00 C ATOM 10 NH1 ARG A 1 79.216 24.111 0.698 1.00 0.00 N ATOM 11 NH2 ARG A 1 78.773 22.712 2.492 1.00 0.00 N ATOM 0 H1 ARG A 1 80.116 17.911 -0.758 1.00 0.00 H new ATOM 0 H2 ARG A 1 79.571 16.697 -1.813 1.00 0.00 H new ATOM 0 H3 ARG A 1 81.175 17.246 -1.907 1.00 0.00 H new ATOM 0 HA ARG A 1 78.736 18.377 -2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 1 80.587 19.905 -1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 1 80.453 20.588 -2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 1 77.965 20.611 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 1 78.081 19.894 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 1 79.723 22.361 -1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 1 77.991 22.610 -1.502 1.00 0.00 H new ATOM 0 HE ARG A 1 78.416 20.959 0.772 1.00 0.00 H new ATOM 0 HH11 ARG A 1 79.301 24.247 -0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 1 79.381 24.891 1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 1 78.523 21.793 2.856 1.00 0.00 H new ATOM 0 HH22 ARG A 1 78.937 23.488 3.134 1.00 0.00 H new ATOM 24 N LYS A 2 79.995 18.774 -5.071 1.00 0.00 N ATOM 25 CA LYS A 2 80.666 18.715 -6.358 1.00 0.00 C ATOM 26 C LYS A 2 79.784 19.377 -7.419 1.00 0.00 C ATOM 27 O LYS A 2 78.651 18.953 -7.643 1.00 0.00 O ATOM 28 CB LYS A 2 81.054 17.273 -6.694 1.00 0.00 C ATOM 29 CG LYS A 2 79.839 16.346 -6.618 1.00 0.00 C ATOM 30 CD LYS A 2 79.673 15.552 -7.915 1.00 0.00 C ATOM 31 CE LYS A 2 79.426 14.070 -7.623 1.00 0.00 C ATOM 32 NZ LYS A 2 78.209 13.601 -8.323 1.00 0.00 N ATOM 0 H LYS A 2 79.028 19.098 -5.108 1.00 0.00 H new ATOM 0 HA LYS A 2 81.601 19.274 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 2 81.485 17.232 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 2 81.822 16.929 -6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 2 79.953 15.659 -5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 2 78.940 16.933 -6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 2 78.840 15.957 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 2 80.567 15.661 -8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 2 80.286 13.482 -7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 2 79.317 13.918 -6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 78.055 12.594 -8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 77.388 14.151 -7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 78.327 13.728 -9.348 1.00 0.00 H new ATOM 45 N LEU A 3 80.337 20.406 -8.044 1.00 0.00 N ATOM 46 CA LEU A 3 79.616 21.131 -9.075 1.00 0.00 C ATOM 47 C LEU A 3 78.311 21.676 -8.492 1.00 0.00 C ATOM 48 O LEU A 3 77.375 20.918 -8.239 1.00 0.00 O ATOM 49 CB LEU A 3 79.416 20.250 -10.310 1.00 0.00 C ATOM 50 CG LEU A 3 78.789 20.933 -11.527 1.00 0.00 C ATOM 51 CD1 LEU A 3 79.830 21.750 -12.294 1.00 0.00 C ATOM 52 CD2 LEU A 3 78.085 19.913 -12.426 1.00 0.00 C ATOM 0 H LEU A 3 81.277 20.755 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 3 80.197 21.989 -9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 3 80.385 19.846 -10.604 1.00 0.00 H new ATOM 0 HB3 LEU A 3 78.789 19.403 -10.030 1.00 0.00 H new ATOM 0 HG LEU A 3 78.029 21.630 -11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 3 79.358 22.225 -13.154 1.00 0.00 H new ATOM 0 HD12 LEU A 3 80.246 22.516 -11.639 1.00 0.00 H new ATOM 0 HD13 LEU A 3 80.629 21.092 -12.636 1.00 0.00 H new ATOM 0 HD21 LEU A 3 77.648 20.424 -13.284 1.00 0.00 H new ATOM 0 HD22 LEU A 3 78.807 19.174 -12.773 1.00 0.00 H new ATOM 0 HD23 LEU A 3 77.298 19.413 -11.862 1.00 0.00 H new ATOM 64 N GLU A 4 78.289 22.986 -8.294 1.00 0.00 N ATOM 65 CA GLU A 4 77.115 23.641 -7.745 1.00 0.00 C ATOM 66 C GLU A 4 75.860 23.208 -8.507 1.00 0.00 C ATOM 67 O GLU A 4 75.745 23.448 -9.707 1.00 0.00 O ATOM 68 CB GLU A 4 77.273 25.163 -7.770 1.00 0.00 C ATOM 69 CG GLU A 4 77.980 25.619 -9.048 1.00 0.00 C ATOM 70 CD GLU A 4 79.451 25.942 -8.776 1.00 0.00 C ATOM 71 OE1 GLU A 4 79.796 26.372 -7.665 1.00 0.00 O ATOM 72 OE2 GLU A 4 80.248 25.731 -9.768 1.00 0.00 O ATOM 0 H GLU A 4 79.067 23.612 -8.504 1.00 0.00 H new ATOM 0 HA GLU A 4 77.008 23.337 -6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 4 76.293 25.635 -7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 4 77.843 25.488 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 4 77.910 24.838 -9.805 1.00 0.00 H new ATOM 0 HG3 GLU A 4 77.479 26.499 -9.451 1.00 0.00 H new ATOM 80 N LEU A 5 74.952 22.577 -7.777 1.00 0.00 N ATOM 81 CA LEU A 5 73.711 22.108 -8.368 1.00 0.00 C ATOM 82 C LEU A 5 72.810 21.541 -7.270 1.00 0.00 C ATOM 83 O LEU A 5 73.196 20.610 -6.564 1.00 0.00 O ATOM 84 CB LEU A 5 73.997 21.120 -9.501 1.00 0.00 C ATOM 85 CG LEU A 5 72.889 20.957 -10.544 1.00 0.00 C ATOM 86 CD1 LEU A 5 73.361 21.424 -11.922 1.00 0.00 C ATOM 87 CD2 LEU A 5 72.371 19.517 -10.573 1.00 0.00 C ATOM 0 H LEU A 5 75.051 22.380 -6.781 1.00 0.00 H new ATOM 0 HA LEU A 5 73.171 22.936 -8.827 1.00 0.00 H new ATOM 0 HB2 LEU A 5 74.906 21.437 -10.012 1.00 0.00 H new ATOM 0 HB3 LEU A 5 74.202 20.144 -9.062 1.00 0.00 H new ATOM 0 HG LEU A 5 72.053 21.594 -10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 5 72.555 21.298 -12.645 1.00 0.00 H new ATOM 0 HD12 LEU A 5 73.643 22.476 -11.873 1.00 0.00 H new ATOM 0 HD13 LEU A 5 74.222 20.832 -12.232 1.00 0.00 H new ATOM 0 HD21 LEU A 5 71.584 19.428 -11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 5 73.189 18.841 -10.823 1.00 0.00 H new ATOM 0 HD23 LEU A 5 71.970 19.255 -9.594 1.00 0.00 H new ATOM 99 N THR A 6 71.626 22.125 -7.159 1.00 0.00 N ATOM 100 CA THR A 6 70.666 21.689 -6.159 1.00 0.00 C ATOM 101 C THR A 6 69.744 20.614 -6.737 1.00 0.00 C ATOM 102 O THR A 6 68.522 20.736 -6.668 1.00 0.00 O ATOM 103 CB THR A 6 69.918 22.923 -5.652 1.00 0.00 C ATOM 104 OG1 THR A 6 69.043 22.412 -4.651 1.00 0.00 O ATOM 105 CG2 THR A 6 68.976 23.510 -6.705 1.00 0.00 C ATOM 0 H THR A 6 71.309 22.897 -7.746 1.00 0.00 H new ATOM 0 HA THR A 6 71.165 21.222 -5.310 1.00 0.00 H new ATOM 0 HB THR A 6 70.637 23.682 -5.344 1.00 0.00 H new ATOM 0 HG1 THR A 6 68.359 21.850 -5.071 1.00 0.00 H new ATOM 0 HG21 THR A 6 68.470 24.384 -6.294 1.00 0.00 H new ATOM 0 HG22 THR A 6 69.550 23.803 -7.584 1.00 0.00 H new ATOM 0 HG23 THR A 6 68.236 22.762 -6.988 1.00 0.00 H new ATOM 113 N LYS A 7 70.365 19.584 -7.293 1.00 0.00 N ATOM 114 CA LYS A 7 69.616 18.488 -7.883 1.00 0.00 C ATOM 115 C LYS A 7 68.269 19.009 -8.386 1.00 0.00 C ATOM 116 O LYS A 7 67.220 18.645 -7.857 1.00 0.00 O ATOM 117 CB LYS A 7 69.494 17.328 -6.892 1.00 0.00 C ATOM 118 CG LYS A 7 70.768 17.185 -6.056 1.00 0.00 C ATOM 119 CD LYS A 7 71.308 15.755 -6.120 1.00 0.00 C ATOM 120 CE LYS A 7 70.574 14.847 -5.133 1.00 0.00 C ATOM 121 NZ LYS A 7 71.092 15.046 -3.761 1.00 0.00 N ATOM 0 H LYS A 7 71.379 19.486 -7.347 1.00 0.00 H new ATOM 0 HA LYS A 7 70.146 18.086 -8.747 1.00 0.00 H new ATOM 0 HB2 LYS A 7 68.640 17.494 -6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 7 69.304 16.401 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 7 71.525 17.880 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 7 70.560 17.453 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 7 71.195 15.365 -7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 7 72.375 15.755 -5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 7 69.505 15.060 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 7 70.698 13.805 -5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 70.656 14.352 -3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 72.124 14.919 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 70.861 16.007 -3.439 1.00 0.00 H new ATOM 134 N ALA A 8 68.341 19.855 -9.404 1.00 0.00 N ATOM 135 CA ALA A 8 67.140 20.431 -9.985 1.00 0.00 C ATOM 136 C ALA A 8 66.054 19.356 -10.071 1.00 0.00 C ATOM 137 O ALA A 8 64.955 19.537 -9.550 1.00 0.00 O ATOM 138 CB ALA A 8 67.472 21.034 -11.352 1.00 0.00 C ATOM 0 H ALA A 8 69.212 20.155 -9.841 1.00 0.00 H new ATOM 0 HA ALA A 8 66.759 21.236 -9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.571 21.466 -11.788 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.226 21.812 -11.233 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.855 20.254 -12.010 1.00 0.00 H new ATOM 144 N GLU A 9 66.401 18.261 -10.732 1.00 0.00 N ATOM 145 CA GLU A 9 65.470 17.157 -10.892 1.00 0.00 C ATOM 146 C GLU A 9 64.124 17.670 -11.408 1.00 0.00 C ATOM 147 O GLU A 9 63.222 17.958 -10.622 1.00 0.00 O ATOM 148 CB GLU A 9 65.298 16.390 -9.580 1.00 0.00 C ATOM 149 CG GLU A 9 66.292 15.230 -9.488 1.00 0.00 C ATOM 150 CD GLU A 9 65.664 14.024 -8.787 1.00 0.00 C ATOM 151 OE1 GLU A 9 64.713 13.427 -9.313 1.00 0.00 O ATOM 152 OE2 GLU A 9 66.199 13.712 -7.656 1.00 0.00 O ATOM 0 H GLU A 9 67.314 18.115 -11.163 1.00 0.00 H new ATOM 0 HA GLU A 9 65.880 16.465 -11.628 1.00 0.00 H new ATOM 0 HB2 GLU A 9 65.444 17.066 -8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 9 64.280 16.007 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 9 66.617 14.945 -10.489 1.00 0.00 H new ATOM 0 HG3 GLU A 9 67.180 15.550 -8.943 1.00 0.00 H new ATOM 160 N LYS A 10 64.030 17.767 -12.726 1.00 0.00 N ATOM 161 CA LYS A 10 62.809 18.239 -13.357 1.00 0.00 C ATOM 162 C LYS A 10 62.132 19.264 -12.444 1.00 0.00 C ATOM 163 O LYS A 10 60.910 19.268 -12.308 1.00 0.00 O ATOM 164 CB LYS A 10 61.908 17.060 -13.731 1.00 0.00 C ATOM 165 CG LYS A 10 62.738 15.810 -14.032 1.00 0.00 C ATOM 166 CD LYS A 10 61.859 14.691 -14.592 1.00 0.00 C ATOM 167 CE LYS A 10 60.889 14.171 -13.529 1.00 0.00 C ATOM 168 NZ LYS A 10 61.587 13.266 -12.589 1.00 0.00 N ATOM 0 H LYS A 10 64.780 17.527 -13.375 1.00 0.00 H new ATOM 0 HA LYS A 10 63.037 18.746 -14.294 1.00 0.00 H new ATOM 0 HB2 LYS A 10 61.216 16.853 -12.915 1.00 0.00 H new ATOM 0 HB3 LYS A 10 61.306 17.320 -14.602 1.00 0.00 H new ATOM 0 HG2 LYS A 10 63.523 16.054 -14.748 1.00 0.00 H new ATOM 0 HG3 LYS A 10 63.232 15.469 -13.122 1.00 0.00 H new ATOM 0 HD2 LYS A 10 61.299 15.059 -15.451 1.00 0.00 H new ATOM 0 HD3 LYS A 10 62.487 13.874 -14.947 1.00 0.00 H new ATOM 0 HE2 LYS A 10 60.456 15.009 -12.983 1.00 0.00 H new ATOM 0 HE3 LYS A 10 60.065 13.642 -14.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 60.907 12.895 -11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 62.009 12.475 -13.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 62.336 13.790 -12.094 1.00 0.00 H new ATOM 181 N HIS A 11 62.957 20.108 -11.842 1.00 0.00 N ATOM 182 CA HIS A 11 62.454 21.136 -10.946 1.00 0.00 C ATOM 183 C HIS A 11 61.730 20.480 -9.769 1.00 0.00 C ATOM 184 O HIS A 11 60.531 20.684 -9.581 1.00 0.00 O ATOM 185 CB HIS A 11 61.573 22.133 -11.703 1.00 0.00 C ATOM 186 CG HIS A 11 62.305 22.912 -12.769 1.00 0.00 C ATOM 187 ND1 HIS A 11 63.346 23.778 -12.483 1.00 0.00 N ATOM 188 CD2 HIS A 11 62.136 22.947 -14.122 1.00 0.00 C ATOM 189 CE1 HIS A 11 63.776 24.305 -13.620 1.00 0.00 C ATOM 190 NE2 HIS A 11 63.024 23.790 -14.634 1.00 0.00 N ATOM 0 H HIS A 11 63.970 20.101 -11.957 1.00 0.00 H new ATOM 0 HA HIS A 11 63.287 21.711 -10.541 1.00 0.00 H new ATOM 0 HB2 HIS A 11 60.746 21.594 -12.165 1.00 0.00 H new ATOM 0 HB3 HIS A 11 61.138 22.833 -10.990 1.00 0.00 H new ATOM 0 HD2 HIS A 11 61.404 22.384 -14.682 1.00 0.00 H new ATOM 0 HE1 HIS A 11 64.581 25.017 -13.725 1.00 0.00 H new ATOM 0 HE2 HIS A 11 63.127 24.016 -15.623 1.00 0.00 H new ATOM 198 N VAL A 12 62.488 19.706 -9.006 1.00 0.00 N ATOM 199 CA VAL A 12 61.934 19.019 -7.852 1.00 0.00 C ATOM 200 C VAL A 12 63.036 18.805 -6.813 1.00 0.00 C ATOM 201 O VAL A 12 64.041 18.152 -7.094 1.00 0.00 O ATOM 202 CB VAL A 12 61.264 17.715 -8.291 1.00 0.00 C ATOM 203 CG1 VAL A 12 60.418 17.126 -7.160 1.00 0.00 C ATOM 204 CG2 VAL A 12 60.424 17.927 -9.552 1.00 0.00 C ATOM 0 H VAL A 12 63.482 19.540 -9.165 1.00 0.00 H new ATOM 0 HA VAL A 12 61.159 19.625 -7.383 1.00 0.00 H new ATOM 0 HB VAL A 12 62.050 16.998 -8.530 1.00 0.00 H new ATOM 0 HG11 VAL A 12 59.953 16.200 -7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.054 16.920 -6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 12 59.643 17.838 -6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 12 59.959 16.985 -9.842 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.649 18.668 -9.353 1.00 0.00 H new ATOM 0 HG23 VAL A 12 61.064 18.280 -10.361 1.00 0.00 H new ATOM 214 N HIS A 13 62.812 19.366 -5.634 1.00 0.00 N ATOM 215 CA HIS A 13 63.774 19.245 -4.552 1.00 0.00 C ATOM 216 C HIS A 13 63.492 17.969 -3.756 1.00 0.00 C ATOM 217 O HIS A 13 64.236 16.994 -3.855 1.00 0.00 O ATOM 218 CB HIS A 13 63.772 20.502 -3.680 1.00 0.00 C ATOM 219 CG HIS A 13 65.131 20.877 -3.140 1.00 0.00 C ATOM 220 ND1 HIS A 13 65.474 22.177 -2.811 1.00 0.00 N ATOM 221 CD2 HIS A 13 66.227 20.111 -2.874 1.00 0.00 C ATOM 222 CE1 HIS A 13 66.723 22.181 -2.370 1.00 0.00 C ATOM 223 NE2 HIS A 13 67.189 20.899 -2.410 1.00 0.00 N ATOM 0 H HIS A 13 61.978 19.906 -5.404 1.00 0.00 H new ATOM 0 HA HIS A 13 64.780 19.161 -4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 13 63.382 21.336 -4.263 1.00 0.00 H new ATOM 0 HB3 HIS A 13 63.089 20.351 -2.844 1.00 0.00 H new ATOM 0 HD2 HIS A 13 66.300 19.043 -3.017 1.00 0.00 H new ATOM 0 HE1 HIS A 13 67.276 23.047 -2.037 1.00 0.00 H new ATOM 0 HE2 HIS A 13 68.122 20.596 -2.130 1.00 0.00 H new ATOM 231 N ASN A 14 62.417 18.018 -2.984 1.00 0.00 N ATOM 232 CA ASN A 14 62.028 16.878 -2.171 1.00 0.00 C ATOM 233 C ASN A 14 60.789 17.242 -1.350 1.00 0.00 C ATOM 234 O ASN A 14 60.882 17.985 -0.374 1.00 0.00 O ATOM 235 CB ASN A 14 63.142 16.490 -1.197 1.00 0.00 C ATOM 236 CG ASN A 14 63.745 15.133 -1.567 1.00 0.00 C ATOM 237 OD1 ASN A 14 63.872 14.299 -0.539 1.00 0.00 O flip ATOM 238 ND2 ASN A 14 64.073 14.861 -2.710 1.00 0.00 N flip ATOM 0 H ASN A 14 61.803 18.829 -2.904 1.00 0.00 H new ATOM 0 HA ASN A 14 61.825 16.041 -2.839 1.00 0.00 H new ATOM 0 HB2 ASN A 14 63.921 17.253 -1.207 1.00 0.00 H new ATOM 0 HB3 ASN A 14 62.746 16.452 -0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 14 63.948 15.548 -3.454 1.00 0.00 H new ATOM 0 HD22 ASN A 14 64.472 13.947 -2.922 1.00 0.00 H new ATOM 245 N PHE A 15 59.657 16.701 -1.775 1.00 0.00 N ATOM 246 CA PHE A 15 58.401 16.959 -1.092 1.00 0.00 C ATOM 247 C PHE A 15 57.240 16.246 -1.789 1.00 0.00 C ATOM 248 O PHE A 15 56.397 15.637 -1.132 1.00 0.00 O ATOM 249 CB PHE A 15 58.163 18.470 -1.149 1.00 0.00 C ATOM 250 CG PHE A 15 57.524 19.047 0.116 1.00 0.00 C ATOM 251 CD1 PHE A 15 58.097 18.826 1.329 1.00 0.00 C ATOM 252 CD2 PHE A 15 56.383 19.782 0.027 1.00 0.00 C ATOM 253 CE1 PHE A 15 57.504 19.362 2.503 1.00 0.00 C ATOM 254 CE2 PHE A 15 55.790 20.318 1.200 1.00 0.00 C ATOM 255 CZ PHE A 15 56.363 20.096 2.414 1.00 0.00 C ATOM 0 H PHE A 15 59.583 16.085 -2.584 1.00 0.00 H new ATOM 0 HA PHE A 15 58.454 16.593 -0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 15 59.115 18.971 -1.324 1.00 0.00 H new ATOM 0 HB3 PHE A 15 57.523 18.695 -2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 15 59.003 18.243 1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 15 55.928 19.958 -0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 15 57.959 19.187 3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 15 54.884 20.902 1.129 1.00 0.00 H new ATOM 0 HZ PHE A 15 55.912 20.503 3.307 1.00 0.00 H new ATOM 265 N MET A 16 57.235 16.346 -3.110 1.00 0.00 N ATOM 266 CA MET A 16 56.192 15.717 -3.903 1.00 0.00 C ATOM 267 C MET A 16 56.662 14.372 -4.460 1.00 0.00 C ATOM 268 O MET A 16 56.669 14.167 -5.673 1.00 0.00 O ATOM 269 CB MET A 16 55.803 16.641 -5.059 1.00 0.00 C ATOM 270 CG MET A 16 57.040 17.103 -5.832 1.00 0.00 C ATOM 271 SD MET A 16 56.568 17.675 -7.455 1.00 0.00 S ATOM 272 CE MET A 16 56.685 16.146 -8.369 1.00 0.00 C ATOM 0 H MET A 16 57.936 16.853 -3.651 1.00 0.00 H new ATOM 0 HA MET A 16 55.329 15.541 -3.260 1.00 0.00 H new ATOM 0 HB2 MET A 16 55.123 16.120 -5.733 1.00 0.00 H new ATOM 0 HB3 MET A 16 55.267 17.508 -4.672 1.00 0.00 H new ATOM 0 HG2 MET A 16 57.541 17.903 -5.287 1.00 0.00 H new ATOM 0 HG3 MET A 16 57.752 16.282 -5.920 1.00 0.00 H new ATOM 0 HE1 MET A 16 56.421 16.324 -9.411 1.00 0.00 H new ATOM 0 HE2 MET A 16 57.705 15.766 -8.313 1.00 0.00 H new ATOM 0 HE3 MET A 16 56.001 15.413 -7.942 1.00 0.00 H new ATOM 282 N MET A 17 57.042 13.490 -3.547 1.00 0.00 N ATOM 283 CA MET A 17 57.513 12.171 -3.932 1.00 0.00 C ATOM 284 C MET A 17 57.327 11.168 -2.791 1.00 0.00 C ATOM 285 O MET A 17 56.278 10.534 -2.682 1.00 0.00 O ATOM 286 CB MET A 17 58.993 12.246 -4.310 1.00 0.00 C ATOM 287 CG MET A 17 59.706 13.343 -3.516 1.00 0.00 C ATOM 288 SD MET A 17 61.363 12.820 -3.106 1.00 0.00 S ATOM 289 CE MET A 17 62.186 13.153 -4.654 1.00 0.00 C ATOM 0 H MET A 17 57.033 13.663 -2.542 1.00 0.00 H new ATOM 0 HA MET A 17 56.928 11.833 -4.787 1.00 0.00 H new ATOM 0 HB2 MET A 17 59.470 11.285 -4.119 1.00 0.00 H new ATOM 0 HB3 MET A 17 59.090 12.443 -5.378 1.00 0.00 H new ATOM 0 HG2 MET A 17 59.740 14.263 -4.100 1.00 0.00 H new ATOM 0 HG3 MET A 17 59.150 13.564 -2.605 1.00 0.00 H new ATOM 0 HE1 MET A 17 63.238 12.881 -4.572 1.00 0.00 H new ATOM 0 HE2 MET A 17 61.721 12.567 -5.447 1.00 0.00 H new ATOM 0 HE3 MET A 17 62.102 14.214 -4.890 1.00 0.00 H new ATOM 299 N ASP A 18 58.361 11.056 -1.971 1.00 0.00 N ATOM 300 CA ASP A 18 58.325 10.141 -0.842 1.00 0.00 C ATOM 301 C ASP A 18 59.700 10.110 -0.172 1.00 0.00 C ATOM 302 O ASP A 18 60.684 9.700 -0.785 1.00 0.00 O ATOM 303 CB ASP A 18 57.989 8.719 -1.296 1.00 0.00 C ATOM 304 CG ASP A 18 58.431 8.373 -2.719 1.00 0.00 C ATOM 305 OD1 ASP A 18 59.627 8.187 -2.989 1.00 0.00 O ATOM 306 OD2 ASP A 18 57.476 8.295 -3.583 1.00 0.00 O ATOM 0 H ASP A 18 59.229 11.583 -2.065 1.00 0.00 H new ATOM 0 HA ASP A 18 57.558 10.490 -0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 18 58.453 8.014 -0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 18 56.911 8.575 -1.221 1.00 0.00 H new ATOM 312 N THR A 19 59.724 10.550 1.078 1.00 0.00 N ATOM 313 CA THR A 19 60.962 10.578 1.838 1.00 0.00 C ATOM 314 C THR A 19 60.694 10.240 3.306 1.00 0.00 C ATOM 315 O THR A 19 61.251 10.871 4.203 1.00 0.00 O ATOM 316 CB THR A 19 61.608 11.950 1.638 1.00 0.00 C ATOM 317 OG1 THR A 19 62.877 11.833 2.277 1.00 0.00 O ATOM 318 CG2 THR A 19 60.896 13.053 2.423 1.00 0.00 C ATOM 0 H THR A 19 58.906 10.890 1.583 1.00 0.00 H new ATOM 0 HA THR A 19 61.661 9.819 1.485 1.00 0.00 H new ATOM 0 HB THR A 19 61.606 12.201 0.577 1.00 0.00 H new ATOM 0 HG1 THR A 19 62.756 11.472 3.180 1.00 0.00 H new ATOM 0 HG21 THR A 19 61.395 14.006 2.246 1.00 0.00 H new ATOM 0 HG22 THR A 19 59.858 13.120 2.096 1.00 0.00 H new ATOM 0 HG23 THR A 19 60.927 12.820 3.487 1.00 0.00 H new ATOM 326 N GLN A 20 59.841 9.246 3.505 1.00 0.00 N ATOM 327 CA GLN A 20 59.493 8.818 4.849 1.00 0.00 C ATOM 328 C GLN A 20 58.402 7.746 4.798 1.00 0.00 C ATOM 329 O GLN A 20 58.638 6.596 5.167 1.00 0.00 O ATOM 330 CB GLN A 20 59.054 10.006 5.707 1.00 0.00 C ATOM 331 CG GLN A 20 59.809 10.029 7.038 1.00 0.00 C ATOM 332 CD GLN A 20 59.621 11.369 7.752 1.00 0.00 C ATOM 333 OE1 GLN A 20 58.717 12.135 7.461 1.00 0.00 O ATOM 334 NE2 GLN A 20 60.522 11.608 8.700 1.00 0.00 N ATOM 0 H GLN A 20 59.381 8.725 2.758 1.00 0.00 H new ATOM 0 HA GLN A 20 60.380 8.386 5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 20 59.233 10.936 5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 20 57.982 9.948 5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 20 59.453 9.220 7.676 1.00 0.00 H new ATOM 0 HG3 GLN A 20 60.870 9.853 6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 20 61.253 10.924 8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 20 60.482 12.476 9.234 1.00 0.00 H new ATOM 343 N LEU A 21 57.231 8.161 4.338 1.00 0.00 N ATOM 344 CA LEU A 21 56.103 7.250 4.235 1.00 0.00 C ATOM 345 C LEU A 21 55.076 7.827 3.257 1.00 0.00 C ATOM 346 O LEU A 21 54.663 7.151 2.316 1.00 0.00 O ATOM 347 CB LEU A 21 55.529 6.947 5.620 1.00 0.00 C ATOM 348 CG LEU A 21 55.477 8.124 6.597 1.00 0.00 C ATOM 349 CD1 LEU A 21 54.034 8.570 6.841 1.00 0.00 C ATOM 350 CD2 LEU A 21 56.202 7.787 7.901 1.00 0.00 C ATOM 0 H LEU A 21 57.039 9.115 4.033 1.00 0.00 H new ATOM 0 HA LEU A 21 56.425 6.290 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 21 54.518 6.559 5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 21 56.122 6.152 6.071 1.00 0.00 H new ATOM 0 HG LEU A 21 56.002 8.966 6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 21 54.025 9.407 7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 21 53.584 8.879 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 21 53.463 7.742 7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 21 56.150 8.640 8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 21 55.728 6.924 8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 21 57.246 7.556 7.688 1.00 0.00 H new ATOM 362 N THR A 22 54.695 9.069 3.514 1.00 0.00 N ATOM 363 CA THR A 22 53.725 9.744 2.668 1.00 0.00 C ATOM 364 C THR A 22 52.638 8.765 2.217 1.00 0.00 C ATOM 365 O THR A 22 52.776 8.113 1.184 1.00 0.00 O ATOM 366 CB THR A 22 54.480 10.391 1.506 1.00 0.00 C ATOM 367 OG1 THR A 22 55.716 10.804 2.082 1.00 0.00 O ATOM 368 CG2 THR A 22 53.831 11.697 1.041 1.00 0.00 C ATOM 0 H THR A 22 55.040 9.626 4.296 1.00 0.00 H new ATOM 0 HA THR A 22 53.204 10.531 3.214 1.00 0.00 H new ATOM 0 HB THR A 22 54.529 9.692 0.671 1.00 0.00 H new ATOM 0 HG1 THR A 22 56.201 11.370 1.445 1.00 0.00 H new ATOM 0 HG21 THR A 22 54.406 12.115 0.215 1.00 0.00 H new ATOM 0 HG22 THR A 22 52.812 11.499 0.710 1.00 0.00 H new ATOM 0 HG23 THR A 22 53.813 12.408 1.867 1.00 0.00 H new ATOM 376 N LYS A 23 51.582 8.695 3.015 1.00 0.00 N ATOM 377 CA LYS A 23 50.473 7.807 2.711 1.00 0.00 C ATOM 378 C LYS A 23 49.870 8.196 1.359 1.00 0.00 C ATOM 379 O LYS A 23 50.059 9.318 0.891 1.00 0.00 O ATOM 380 CB LYS A 23 49.461 7.802 3.858 1.00 0.00 C ATOM 381 CG LYS A 23 48.549 9.030 3.790 1.00 0.00 C ATOM 382 CD LYS A 23 48.599 9.822 5.097 1.00 0.00 C ATOM 383 CE LYS A 23 47.437 10.813 5.182 1.00 0.00 C ATOM 384 NZ LYS A 23 47.900 12.110 5.725 1.00 0.00 N ATOM 0 H LYS A 23 51.471 9.239 3.871 1.00 0.00 H new ATOM 0 HA LYS A 23 50.822 6.778 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 23 48.859 6.894 3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 23 49.988 7.788 4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 23 48.854 9.669 2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 23 47.525 8.716 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 23 48.560 9.136 5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 23 49.545 10.359 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 23 47.004 10.960 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 23 46.650 10.406 5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 47.099 12.771 5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 48.292 11.967 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 48.635 12.504 5.103 1.00 0.00 H new ATOM 397 N ARG A 24 49.156 7.247 0.771 1.00 0.00 N ATOM 398 CA ARG A 24 48.524 7.477 -0.517 1.00 0.00 C ATOM 399 C ARG A 24 47.026 7.179 -0.434 1.00 0.00 C ATOM 400 O ARG A 24 46.587 6.425 0.433 1.00 0.00 O ATOM 401 CB ARG A 24 49.152 6.600 -1.603 1.00 0.00 C ATOM 402 CG ARG A 24 48.800 5.127 -1.389 1.00 0.00 C ATOM 403 CD ARG A 24 50.062 4.286 -1.184 1.00 0.00 C ATOM 404 NE ARG A 24 50.490 4.353 0.231 1.00 0.00 N ATOM 405 CZ ARG A 24 51.749 4.107 0.653 1.00 0.00 C ATOM 406 NH1 ARG A 24 52.715 3.775 -0.230 1.00 0.00 N ATOM 407 NH2 ARG A 24 52.020 4.196 1.942 1.00 0.00 N ATOM 0 H ARG A 24 49.001 6.318 1.163 1.00 0.00 H new ATOM 0 HA ARG A 24 48.676 8.524 -0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 24 48.802 6.923 -2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 24 50.235 6.724 -1.595 1.00 0.00 H new ATOM 0 HG2 ARG A 24 48.148 5.028 -0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 24 48.245 4.753 -2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 24 49.869 3.251 -1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 24 50.860 4.649 -1.832 1.00 0.00 H new ATOM 0 HE ARG A 24 49.791 4.600 0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 24 52.496 3.708 -1.224 1.00 0.00 H new ATOM 0 HH12 ARG A 24 53.663 3.591 0.097 1.00 0.00 H new ATOM 0 HH21 ARG A 24 51.284 4.447 2.602 1.00 0.00 H new ATOM 0 HH22 ARG A 24 52.966 4.013 2.278 1.00 0.00 H new ATOM 420 N VAL A 25 46.282 7.787 -1.347 1.00 0.00 N ATOM 421 CA VAL A 25 44.842 7.596 -1.387 1.00 0.00 C ATOM 422 C VAL A 25 44.292 7.595 0.041 1.00 0.00 C ATOM 423 O VAL A 25 43.846 6.562 0.537 1.00 0.00 O ATOM 424 CB VAL A 25 44.505 6.318 -2.158 1.00 0.00 C ATOM 425 CG1 VAL A 25 42.994 6.086 -2.202 1.00 0.00 C ATOM 426 CG2 VAL A 25 45.095 6.357 -3.569 1.00 0.00 C ATOM 0 H VAL A 25 46.650 8.412 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 25 44.362 8.417 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 25 44.957 5.479 -1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 25 42.782 5.171 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 25 42.611 5.992 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 25 42.511 6.929 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 25 44.841 5.437 -4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 25 44.686 7.210 -4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 25 46.179 6.452 -3.508 1.00 0.00 H new ATOM 436 N LYS A 26 44.342 8.765 0.660 1.00 0.00 N ATOM 437 CA LYS A 26 43.854 8.912 2.021 1.00 0.00 C ATOM 438 C LYS A 26 44.266 7.689 2.842 1.00 0.00 C ATOM 439 O LYS A 26 43.461 7.139 3.591 1.00 0.00 O ATOM 440 CB LYS A 26 42.346 9.175 2.024 1.00 0.00 C ATOM 441 CG LYS A 26 41.864 9.581 3.418 1.00 0.00 C ATOM 442 CD LYS A 26 42.744 10.687 4.003 1.00 0.00 C ATOM 443 CE LYS A 26 41.972 11.516 5.031 1.00 0.00 C ATOM 444 NZ LYS A 26 42.888 12.422 5.759 1.00 0.00 N ATOM 0 H LYS A 26 44.713 9.620 0.245 1.00 0.00 H new ATOM 0 HA LYS A 26 44.308 9.782 2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 26 42.109 9.963 1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 26 41.816 8.280 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 26 40.831 9.924 3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 26 41.877 8.714 4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 26 43.624 10.247 4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 26 43.101 11.335 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 26 41.198 12.097 4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 26 41.469 10.855 5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 42.348 12.977 6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 43.612 11.861 6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 43.349 13.065 5.084 1.00 0.00 H new ATOM 457 N ASN A 27 45.521 7.298 2.673 1.00 0.00 N ATOM 458 CA ASN A 27 46.051 6.150 3.388 1.00 0.00 C ATOM 459 C ASN A 27 45.231 4.909 3.030 1.00 0.00 C ATOM 460 O ASN A 27 44.788 4.176 3.913 1.00 0.00 O ATOM 461 CB ASN A 27 45.961 6.355 4.902 1.00 0.00 C ATOM 462 CG ASN A 27 46.499 5.135 5.653 1.00 0.00 C ATOM 463 OD1 ASN A 27 47.181 4.286 5.103 1.00 0.00 O ATOM 464 ND2 ASN A 27 46.155 5.096 6.937 1.00 0.00 N ATOM 0 H ASN A 27 46.186 7.757 2.051 1.00 0.00 H new ATOM 0 HA ASN A 27 47.096 6.027 3.102 1.00 0.00 H new ATOM 0 HB2 ASN A 27 46.528 7.241 5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 27 44.924 6.534 5.187 1.00 0.00 H new ATOM 0 HD21 ASN A 27 46.465 4.322 7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 27 45.582 5.840 7.334 1.00 0.00 H new ATOM 471 N ALA A 28 45.053 4.711 1.732 1.00 0.00 N ATOM 472 CA ALA A 28 44.294 3.571 1.246 1.00 0.00 C ATOM 473 C ALA A 28 42.799 3.860 1.392 1.00 0.00 C ATOM 474 O ALA A 28 41.965 3.051 0.989 1.00 0.00 O ATOM 475 CB ALA A 28 44.722 2.312 2.002 1.00 0.00 C ATOM 0 H ALA A 28 45.421 5.321 1.002 1.00 0.00 H new ATOM 0 HA ALA A 28 44.495 3.399 0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 28 44.152 1.457 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.785 2.135 1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.534 2.446 3.067 1.00 0.00 H new ATOM 481 N ALA A 29 42.505 5.016 1.970 1.00 0.00 N ATOM 482 CA ALA A 29 41.125 5.421 2.174 1.00 0.00 C ATOM 483 C ALA A 29 40.602 4.798 3.470 1.00 0.00 C ATOM 484 O ALA A 29 39.420 4.472 3.573 1.00 0.00 O ATOM 485 CB ALA A 29 40.290 5.021 0.956 1.00 0.00 C ATOM 0 H ALA A 29 43.199 5.685 2.303 1.00 0.00 H new ATOM 0 HA ALA A 29 41.054 6.504 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 29 39.254 5.325 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 29 40.685 5.513 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 29 40.335 3.940 0.823 1.00 0.00 H new ATOM 491 N ALA A 30 41.507 4.651 4.426 1.00 0.00 N ATOM 492 CA ALA A 30 41.152 4.073 5.711 1.00 0.00 C ATOM 493 C ALA A 30 39.838 4.689 6.196 1.00 0.00 C ATOM 494 O ALA A 30 39.823 5.809 6.704 1.00 0.00 O ATOM 495 CB ALA A 30 42.297 4.287 6.702 1.00 0.00 C ATOM 0 H ALA A 30 42.486 4.922 4.337 1.00 0.00 H new ATOM 0 HA ALA A 30 40.998 2.998 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 30 42.030 3.853 7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 30 43.199 3.806 6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 30 42.479 5.355 6.823 1.00 0.00 H new ATOM 501 N ASN A 31 38.766 3.929 6.024 1.00 0.00 N ATOM 502 CA ASN A 31 37.451 4.386 6.438 1.00 0.00 C ATOM 503 C ASN A 31 37.205 5.790 5.883 1.00 0.00 C ATOM 504 O ASN A 31 36.411 6.550 6.436 1.00 0.00 O ATOM 505 CB ASN A 31 37.346 4.455 7.963 1.00 0.00 C ATOM 506 CG ASN A 31 36.495 3.305 8.507 1.00 0.00 C ATOM 507 OD1 ASN A 31 35.849 2.576 7.773 1.00 0.00 O ATOM 508 ND2 ASN A 31 36.532 3.185 9.831 1.00 0.00 N ATOM 0 H ASN A 31 38.782 3.000 5.603 1.00 0.00 H new ATOM 0 HA ASN A 31 36.714 3.679 6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.343 4.414 8.402 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.907 5.408 8.258 1.00 0.00 H new ATOM 0 HD21 ASN A 31 35.998 2.448 10.291 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.094 3.830 10.386 1.00 0.00 H new ATOM 515 N VAL A 32 37.901 6.093 4.798 1.00 0.00 N ATOM 516 CA VAL A 32 37.769 7.393 4.162 1.00 0.00 C ATOM 517 C VAL A 32 37.626 8.470 5.239 1.00 0.00 C ATOM 518 O VAL A 32 37.009 9.508 5.005 1.00 0.00 O ATOM 519 CB VAL A 32 36.601 7.376 3.174 1.00 0.00 C ATOM 520 CG1 VAL A 32 35.329 6.846 3.839 1.00 0.00 C ATOM 521 CG2 VAL A 32 36.370 8.764 2.575 1.00 0.00 C ATOM 0 H VAL A 32 38.559 5.460 4.342 1.00 0.00 H new ATOM 0 HA VAL A 32 38.662 7.628 3.584 1.00 0.00 H new ATOM 0 HB VAL A 32 36.860 6.699 2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.514 6.844 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 32 35.501 5.830 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 32 35.065 7.486 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.534 8.724 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 32 36.143 9.471 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 32 37.268 9.087 2.049 1.00 0.00 H new ATOM 531 N LEU A 33 38.206 8.186 6.396 1.00 0.00 N ATOM 532 CA LEU A 33 38.150 9.118 7.510 1.00 0.00 C ATOM 533 C LEU A 33 36.699 9.267 7.972 1.00 0.00 C ATOM 534 O LEU A 33 36.350 8.849 9.075 1.00 0.00 O ATOM 535 CB LEU A 33 38.815 10.443 7.133 1.00 0.00 C ATOM 536 CG LEU A 33 38.723 11.559 8.175 1.00 0.00 C ATOM 537 CD1 LEU A 33 39.651 11.281 9.359 1.00 0.00 C ATOM 538 CD2 LEU A 33 38.996 12.925 7.542 1.00 0.00 C ATOM 0 H LEU A 33 38.717 7.324 6.586 1.00 0.00 H new ATOM 0 HA LEU A 33 38.717 8.733 8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 33 39.868 10.252 6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 33 38.367 10.801 6.206 1.00 0.00 H new ATOM 0 HG LEU A 33 37.704 11.581 8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 33 39.566 12.089 10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 33 39.368 10.339 9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 33 40.681 11.216 9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 33 38.924 13.700 8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 33 39.997 12.932 7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 33 38.262 13.117 6.760 1.00 0.00 H new ATOM 550 N ARG A 34 35.894 9.863 7.106 1.00 0.00 N ATOM 551 CA ARG A 34 34.489 10.072 7.412 1.00 0.00 C ATOM 552 C ARG A 34 33.724 8.750 7.327 1.00 0.00 C ATOM 553 O ARG A 34 32.569 8.669 7.742 1.00 0.00 O ATOM 554 CB ARG A 34 33.859 11.080 6.448 1.00 0.00 C ATOM 555 CG ARG A 34 32.831 11.957 7.166 1.00 0.00 C ATOM 556 CD ARG A 34 33.519 13.058 7.976 1.00 0.00 C ATOM 557 NE ARG A 34 33.581 12.673 9.403 1.00 0.00 N ATOM 558 CZ ARG A 34 32.499 12.537 10.198 1.00 0.00 C ATOM 559 NH1 ARG A 34 31.259 12.755 9.710 1.00 0.00 N ATOM 560 NH2 ARG A 34 32.671 12.189 11.460 1.00 0.00 N ATOM 0 H ARG A 34 36.187 10.208 6.192 1.00 0.00 H new ATOM 0 HA ARG A 34 34.427 10.467 8.426 1.00 0.00 H new ATOM 0 HB2 ARG A 34 34.637 11.707 6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 34 33.379 10.550 5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 34 32.157 12.405 6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 34 32.221 11.341 7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 34 34.525 13.228 7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 34 32.974 13.996 7.867 1.00 0.00 H new ATOM 0 HE ARG A 34 34.499 12.499 9.812 1.00 0.00 H new ATOM 0 HH11 ARG A 34 31.135 13.025 8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 34 30.446 12.650 10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 34 33.611 12.027 11.821 1.00 0.00 H new ATOM 0 HH22 ARG A 34 31.864 12.082 12.074 1.00 0.00 H new ATOM 573 N GLU A 35 34.400 7.747 6.786 1.00 0.00 N ATOM 574 CA GLU A 35 33.799 6.432 6.641 1.00 0.00 C ATOM 575 C GLU A 35 32.377 6.556 6.091 1.00 0.00 C ATOM 576 O GLU A 35 31.424 6.082 6.708 1.00 0.00 O ATOM 577 CB GLU A 35 33.808 5.675 7.971 1.00 0.00 C ATOM 578 CG GLU A 35 33.064 6.460 9.053 1.00 0.00 C ATOM 579 CD GLU A 35 32.909 5.626 10.327 1.00 0.00 C ATOM 580 OE1 GLU A 35 32.312 4.540 10.288 1.00 0.00 O ATOM 581 OE2 GLU A 35 33.437 6.143 11.384 1.00 0.00 O ATOM 0 H GLU A 35 35.358 7.819 6.443 1.00 0.00 H new ATOM 0 HA GLU A 35 34.394 5.859 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 35 33.343 4.698 7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 35 34.836 5.499 8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 35 33.606 7.378 9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.081 6.753 8.684 1.00 0.00 H new ATOM 589 N THR A 36 32.278 7.196 4.935 1.00 0.00 N ATOM 590 CA THR A 36 30.988 7.389 4.294 1.00 0.00 C ATOM 591 C THR A 36 30.347 6.038 3.968 1.00 0.00 C ATOM 592 O THR A 36 29.130 5.944 3.822 1.00 0.00 O ATOM 593 CB THR A 36 31.198 8.274 3.064 1.00 0.00 C ATOM 594 OG1 THR A 36 32.395 7.773 2.476 1.00 0.00 O ATOM 595 CG2 THR A 36 31.542 9.719 3.435 1.00 0.00 C ATOM 0 H THR A 36 33.070 7.588 4.426 1.00 0.00 H new ATOM 0 HA THR A 36 30.288 7.894 4.959 1.00 0.00 H new ATOM 0 HB THR A 36 30.298 8.261 2.449 1.00 0.00 H new ATOM 0 HG1 THR A 36 32.224 6.890 2.087 1.00 0.00 H new ATOM 0 HG21 THR A 36 31.681 10.305 2.526 1.00 0.00 H new ATOM 0 HG22 THR A 36 30.730 10.147 4.022 1.00 0.00 H new ATOM 0 HG23 THR A 36 32.461 9.735 4.021 1.00 0.00 H new ATOM 603 N TRP A 37 31.196 5.027 3.864 1.00 0.00 N ATOM 604 CA TRP A 37 30.729 3.685 3.557 1.00 0.00 C ATOM 605 C TRP A 37 30.508 2.948 4.880 1.00 0.00 C ATOM 606 O TRP A 37 30.695 1.735 4.957 1.00 0.00 O ATOM 607 CB TRP A 37 31.705 2.963 2.626 1.00 0.00 C ATOM 608 CG TRP A 37 32.977 3.757 2.322 1.00 0.00 C ATOM 609 CD1 TRP A 37 34.137 3.745 2.993 1.00 0.00 C ATOM 610 CD2 TRP A 37 33.172 4.685 1.234 1.00 0.00 C ATOM 611 NE1 TRP A 37 35.061 4.595 2.420 1.00 0.00 N ATOM 612 CE2 TRP A 37 34.456 5.184 1.316 1.00 0.00 C ATOM 613 CE3 TRP A 37 32.292 5.090 0.215 1.00 0.00 C ATOM 614 CZ2 TRP A 37 34.975 6.115 0.409 1.00 0.00 C ATOM 615 CZ3 TRP A 37 32.827 6.021 -0.684 1.00 0.00 C ATOM 616 CH2 TRP A 37 34.117 6.533 -0.615 1.00 0.00 C ATOM 0 H TRP A 37 32.205 5.110 3.987 1.00 0.00 H new ATOM 0 HA TRP A 37 29.784 3.720 3.015 1.00 0.00 H new ATOM 0 HB2 TRP A 37 31.983 2.010 3.076 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.197 2.737 1.688 1.00 0.00 H new ATOM 0 HD1 TRP A 37 34.325 3.146 3.872 1.00 0.00 H new ATOM 0 HE1 TRP A 37 36.013 4.761 2.747 1.00 0.00 H new ATOM 0 HE3 TRP A 37 31.283 4.713 0.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 35.984 6.491 0.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 32.192 6.365 -1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 37 34.456 7.250 -1.348 1.00 0.00 H new ATOM 627 N LEU A 38 30.113 3.712 5.888 1.00 0.00 N ATOM 628 CA LEU A 38 29.865 3.147 7.203 1.00 0.00 C ATOM 629 C LEU A 38 28.632 3.813 7.816 1.00 0.00 C ATOM 630 O LEU A 38 27.753 3.135 8.344 1.00 0.00 O ATOM 631 CB LEU A 38 31.117 3.251 8.076 1.00 0.00 C ATOM 632 CG LEU A 38 32.316 2.410 7.631 1.00 0.00 C ATOM 633 CD1 LEU A 38 31.946 0.927 7.551 1.00 0.00 C ATOM 634 CD2 LEU A 38 32.892 2.929 6.313 1.00 0.00 C ATOM 0 H LEU A 38 29.959 4.718 5.820 1.00 0.00 H new ATOM 0 HA LEU A 38 29.647 2.082 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.425 4.296 8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.852 2.961 9.093 1.00 0.00 H new ATOM 0 HG LEU A 38 33.099 2.507 8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 38 32.815 0.352 7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 38 31.620 0.580 8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 38 31.138 0.792 6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.743 2.313 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.127 2.883 5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.218 3.961 6.440 1.00 0.00 H new ATOM 646 N ILE A 39 28.606 5.135 7.724 1.00 0.00 N ATOM 647 CA ILE A 39 27.495 5.901 8.263 1.00 0.00 C ATOM 648 C ILE A 39 26.256 5.674 7.395 1.00 0.00 C ATOM 649 O ILE A 39 25.129 5.784 7.875 1.00 0.00 O ATOM 650 CB ILE A 39 27.881 7.374 8.410 1.00 0.00 C ATOM 651 CG1 ILE A 39 28.619 7.874 7.166 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.691 7.604 9.688 1.00 0.00 C ATOM 653 CD1 ILE A 39 28.098 9.247 6.734 1.00 0.00 C ATOM 0 H ILE A 39 29.337 5.695 7.284 1.00 0.00 H new ATOM 0 HA ILE A 39 27.248 5.558 9.268 1.00 0.00 H new ATOM 0 HB ILE A 39 26.966 7.960 8.499 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.687 7.935 7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 39 28.492 7.160 6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 39 28.952 8.659 9.768 1.00 0.00 H new ATOM 0 HG22 ILE A 39 28.097 7.311 10.553 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.602 7.006 9.654 1.00 0.00 H new ATOM 0 HD11 ILE A 39 28.639 9.579 5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 39 27.035 9.177 6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 39 28.249 9.964 7.541 1.00 0.00 H new ATOM 665 N TYR A 40 26.507 5.360 6.132 1.00 0.00 N ATOM 666 CA TYR A 40 25.426 5.116 5.193 1.00 0.00 C ATOM 667 C TYR A 40 24.483 4.029 5.712 1.00 0.00 C ATOM 668 O TYR A 40 24.822 3.303 6.645 1.00 0.00 O ATOM 669 CB TYR A 40 26.089 4.627 3.904 1.00 0.00 C ATOM 670 CG TYR A 40 26.429 3.135 3.906 1.00 0.00 C ATOM 671 CD1 TYR A 40 27.045 2.570 5.004 1.00 0.00 C ATOM 672 CD2 TYR A 40 26.118 2.355 2.811 1.00 0.00 C ATOM 673 CE1 TYR A 40 27.365 1.165 5.006 1.00 0.00 C ATOM 674 CE2 TYR A 40 26.437 0.951 2.814 1.00 0.00 C ATOM 675 CZ TYR A 40 27.045 0.425 3.911 1.00 0.00 C ATOM 676 OH TYR A 40 27.346 -0.901 3.913 1.00 0.00 O ATOM 0 H TYR A 40 27.443 5.269 5.738 1.00 0.00 H new ATOM 0 HA TYR A 40 24.837 6.021 5.043 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.426 4.837 3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 40 27.003 5.197 3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.287 3.181 5.861 1.00 0.00 H new ATOM 0 HD2 TYR A 40 25.635 2.798 1.952 1.00 0.00 H new ATOM 0 HE1 TYR A 40 27.848 0.710 5.858 1.00 0.00 H new ATOM 0 HE2 TYR A 40 26.199 0.329 1.964 1.00 0.00 H new ATOM 0 HH TYR A 40 27.059 -1.303 3.067 1.00 0.00 H new ATOM 686 N LYS A 41 23.319 3.951 5.084 1.00 0.00 N ATOM 687 CA LYS A 41 22.325 2.964 5.471 1.00 0.00 C ATOM 688 C LYS A 41 22.136 1.963 4.330 1.00 0.00 C ATOM 689 O LYS A 41 22.963 1.885 3.424 1.00 0.00 O ATOM 690 CB LYS A 41 21.029 3.651 5.908 1.00 0.00 C ATOM 691 CG LYS A 41 20.422 4.457 4.758 1.00 0.00 C ATOM 692 CD LYS A 41 21.028 5.860 4.691 1.00 0.00 C ATOM 693 CE LYS A 41 20.065 6.901 5.267 1.00 0.00 C ATOM 694 NZ LYS A 41 20.406 8.253 4.770 1.00 0.00 N ATOM 0 H LYS A 41 23.042 4.555 4.310 1.00 0.00 H new ATOM 0 HA LYS A 41 22.667 2.399 6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.314 2.903 6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.229 4.310 6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.594 3.938 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.342 4.529 4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 41 21.966 5.882 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.263 6.110 3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.041 6.652 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.111 6.885 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.743 8.947 5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.376 8.494 5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.339 8.269 3.732 1.00 0.00 H new ATOM 707 N ASN A 42 21.041 1.221 4.412 1.00 0.00 N ATOM 708 CA ASN A 42 20.732 0.228 3.397 1.00 0.00 C ATOM 709 C ASN A 42 19.228 0.241 3.117 1.00 0.00 C ATOM 710 O ASN A 42 18.809 0.264 1.961 1.00 0.00 O ATOM 711 CB ASN A 42 21.113 -1.177 3.869 1.00 0.00 C ATOM 712 CG ASN A 42 22.005 -1.878 2.841 1.00 0.00 C ATOM 713 OD1 ASN A 42 21.660 -2.026 1.680 1.00 0.00 O ATOM 714 ND2 ASN A 42 23.167 -2.298 3.332 1.00 0.00 N ATOM 0 H ASN A 42 20.357 1.288 5.166 1.00 0.00 H new ATOM 0 HA ASN A 42 21.300 0.474 2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 42 21.633 -1.115 4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 42 20.211 -1.766 4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 42 23.833 -2.777 2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 42 23.392 -2.141 4.314 1.00 0.00 H new ATOM 721 N THR A 43 18.458 0.226 4.195 1.00 0.00 N ATOM 722 CA THR A 43 17.009 0.237 4.080 1.00 0.00 C ATOM 723 C THR A 43 16.473 1.662 4.225 1.00 0.00 C ATOM 724 O THR A 43 17.073 2.488 4.911 1.00 0.00 O ATOM 725 CB THR A 43 16.445 -0.734 5.120 1.00 0.00 C ATOM 726 OG1 THR A 43 16.558 -0.027 6.352 1.00 0.00 O ATOM 727 CG2 THR A 43 17.333 -1.965 5.314 1.00 0.00 C ATOM 0 H THR A 43 18.810 0.206 5.152 1.00 0.00 H new ATOM 0 HA THR A 43 16.688 -0.098 3.094 1.00 0.00 H new ATOM 0 HB THR A 43 15.447 -1.051 4.817 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.213 -0.583 7.081 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.887 -2.621 6.062 1.00 0.00 H new ATOM 0 HG22 THR A 43 17.424 -2.501 4.369 1.00 0.00 H new ATOM 0 HG23 THR A 43 18.322 -1.651 5.649 1.00 0.00 H new ATOM 735 N LYS A 44 15.349 1.907 3.568 1.00 0.00 N ATOM 736 CA LYS A 44 14.725 3.218 3.615 1.00 0.00 C ATOM 737 C LYS A 44 13.225 3.074 3.349 1.00 0.00 C ATOM 738 O LYS A 44 12.810 2.874 2.208 1.00 0.00 O ATOM 739 CB LYS A 44 15.430 4.182 2.658 1.00 0.00 C ATOM 740 CG LYS A 44 16.890 4.389 3.066 1.00 0.00 C ATOM 741 CD LYS A 44 17.537 5.503 2.240 1.00 0.00 C ATOM 742 CE LYS A 44 18.137 4.949 0.947 1.00 0.00 C ATOM 743 NZ LYS A 44 17.233 5.205 -0.196 1.00 0.00 N ATOM 0 H LYS A 44 14.854 1.219 3.000 1.00 0.00 H new ATOM 0 HA LYS A 44 14.832 3.656 4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.385 3.790 1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.911 5.140 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.943 4.639 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.445 3.461 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.793 6.264 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.316 5.990 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.107 5.411 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.309 3.878 1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.465 4.555 -0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.248 5.053 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.350 6.187 -0.518 1.00 0.00 H new ATOM 756 N LEU A 45 12.453 3.182 4.420 1.00 0.00 N ATOM 757 CA LEU A 45 11.009 3.066 4.317 1.00 0.00 C ATOM 758 C LEU A 45 10.359 4.343 4.856 1.00 0.00 C ATOM 759 O LEU A 45 9.590 4.295 5.814 1.00 0.00 O ATOM 760 CB LEU A 45 10.522 1.790 5.007 1.00 0.00 C ATOM 761 CG LEU A 45 10.908 1.635 6.479 1.00 0.00 C ATOM 762 CD1 LEU A 45 9.805 0.920 7.262 1.00 0.00 C ATOM 763 CD2 LEU A 45 12.260 0.934 6.621 1.00 0.00 C ATOM 0 H LEU A 45 12.801 3.349 5.364 1.00 0.00 H new ATOM 0 HA LEU A 45 10.709 2.970 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.435 1.751 4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.911 0.933 4.458 1.00 0.00 H new ATOM 0 HG LEU A 45 11.016 2.630 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.104 0.822 8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.883 1.498 7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.641 -0.070 6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.510 0.837 7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.206 -0.056 6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.029 1.521 6.119 1.00 0.00 H new ATOM 775 N VAL A 46 10.693 5.454 4.216 1.00 0.00 N ATOM 776 CA VAL A 46 10.152 6.741 4.619 1.00 0.00 C ATOM 777 C VAL A 46 10.519 7.794 3.572 1.00 0.00 C ATOM 778 O VAL A 46 11.598 8.382 3.628 1.00 0.00 O ATOM 779 CB VAL A 46 10.643 7.098 6.023 1.00 0.00 C ATOM 780 CG1 VAL A 46 12.167 7.238 6.052 1.00 0.00 C ATOM 781 CG2 VAL A 46 9.966 8.372 6.534 1.00 0.00 C ATOM 0 H VAL A 46 11.331 5.490 3.421 1.00 0.00 H new ATOM 0 HA VAL A 46 9.064 6.699 4.670 1.00 0.00 H new ATOM 0 HB VAL A 46 10.368 6.282 6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.490 7.492 7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.625 6.296 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.473 8.026 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.333 8.603 7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.195 9.200 5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.887 8.222 6.569 1.00 0.00 H new ATOM 791 N LYS A 47 9.599 8.001 2.640 1.00 0.00 N ATOM 792 CA LYS A 47 9.812 8.973 1.581 1.00 0.00 C ATOM 793 C LYS A 47 9.115 10.284 1.951 1.00 0.00 C ATOM 794 O LYS A 47 9.341 11.312 1.315 1.00 0.00 O ATOM 795 CB LYS A 47 9.371 8.401 0.232 1.00 0.00 C ATOM 796 CG LYS A 47 7.846 8.336 0.137 1.00 0.00 C ATOM 797 CD LYS A 47 7.349 6.896 0.278 1.00 0.00 C ATOM 798 CE LYS A 47 5.946 6.857 0.887 1.00 0.00 C ATOM 799 NZ LYS A 47 6.024 6.811 2.365 1.00 0.00 N ATOM 0 H LYS A 47 8.705 7.512 2.597 1.00 0.00 H new ATOM 0 HA LYS A 47 10.874 9.195 1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.763 9.020 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.790 7.403 0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.403 8.955 0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.520 8.745 -0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.338 6.414 -0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.037 6.330 0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.382 7.736 0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.407 5.984 0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.063 6.785 2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.544 5.959 2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.520 7.656 2.713 1.00 0.00 H new ATOM 812 N LYS A 48 8.282 10.205 2.978 1.00 0.00 N ATOM 813 CA LYS A 48 7.551 11.372 3.440 1.00 0.00 C ATOM 814 C LYS A 48 8.521 12.340 4.120 1.00 0.00 C ATOM 815 O LYS A 48 8.726 12.272 5.331 1.00 0.00 O ATOM 816 CB LYS A 48 6.378 10.953 4.328 1.00 0.00 C ATOM 817 CG LYS A 48 6.851 10.062 5.478 1.00 0.00 C ATOM 818 CD LYS A 48 6.710 10.779 6.822 1.00 0.00 C ATOM 819 CE LYS A 48 5.274 10.694 7.341 1.00 0.00 C ATOM 820 NZ LYS A 48 5.185 11.242 8.713 1.00 0.00 N ATOM 0 H LYS A 48 8.097 9.350 3.503 1.00 0.00 H new ATOM 0 HA LYS A 48 7.109 11.902 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.886 11.839 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.638 10.420 3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.270 9.140 5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.892 9.780 5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.390 10.334 7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.000 11.824 6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.608 11.247 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.940 9.657 7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.250 11.025 9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.924 10.814 9.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.318 12.273 8.684 1.00 0.00 H new ATOM 833 N ILE A 49 9.094 13.220 3.311 1.00 0.00 N ATOM 834 CA ILE A 49 10.038 14.201 3.820 1.00 0.00 C ATOM 835 C ILE A 49 9.488 14.809 5.112 1.00 0.00 C ATOM 836 O ILE A 49 8.302 14.675 5.410 1.00 0.00 O ATOM 837 CB ILE A 49 10.366 15.237 2.743 1.00 0.00 C ATOM 838 CG1 ILE A 49 11.669 14.886 2.023 1.00 0.00 C ATOM 839 CG2 ILE A 49 10.399 16.649 3.332 1.00 0.00 C ATOM 840 CD1 ILE A 49 12.830 14.773 3.014 1.00 0.00 C ATOM 0 H ILE A 49 8.923 13.274 2.307 1.00 0.00 H new ATOM 0 HA ILE A 49 10.986 13.724 4.070 1.00 0.00 H new ATOM 0 HB ILE A 49 9.571 15.218 1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.550 13.944 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 49 11.895 15.650 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.634 17.366 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.426 16.887 3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.161 16.701 4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.744 14.523 2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 49 12.961 15.724 3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 49 12.612 13.992 3.742 1.00 0.00 H new ATOM 852 N ASP A 50 10.377 15.465 5.844 1.00 0.00 N ATOM 853 CA ASP A 50 9.995 16.094 7.097 1.00 0.00 C ATOM 854 C ASP A 50 9.819 17.598 6.875 1.00 0.00 C ATOM 855 O ASP A 50 8.869 18.196 7.376 1.00 0.00 O ATOM 856 CB ASP A 50 11.075 15.897 8.163 1.00 0.00 C ATOM 857 CG ASP A 50 11.494 14.445 8.398 1.00 0.00 C ATOM 858 OD1 ASP A 50 11.803 13.707 7.450 1.00 0.00 O ATOM 859 OD2 ASP A 50 11.496 14.071 9.633 1.00 0.00 O ATOM 0 H ASP A 50 11.360 15.574 5.594 1.00 0.00 H new ATOM 0 HA ASP A 50 9.066 15.636 7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.956 16.472 7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.715 16.312 9.104 1.00 0.00 H new ATOM 865 N HIS A 51 10.751 18.165 6.122 1.00 0.00 N ATOM 866 CA HIS A 51 10.710 19.587 5.827 1.00 0.00 C ATOM 867 C HIS A 51 10.289 20.359 7.079 1.00 0.00 C ATOM 868 O HIS A 51 9.315 21.110 7.051 1.00 0.00 O ATOM 869 CB HIS A 51 9.806 19.868 4.625 1.00 0.00 C ATOM 870 CG HIS A 51 10.454 20.709 3.552 1.00 0.00 C ATOM 871 ND1 HIS A 51 11.051 21.930 3.814 1.00 0.00 N ATOM 872 CD2 HIS A 51 10.594 20.492 2.212 1.00 0.00 C ATOM 873 CE1 HIS A 51 11.524 22.418 2.677 1.00 0.00 C ATOM 874 NE2 HIS A 51 11.239 21.526 1.685 1.00 0.00 N ATOM 0 H HIS A 51 11.538 17.666 5.708 1.00 0.00 H new ATOM 0 HA HIS A 51 11.705 19.932 5.547 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.493 18.919 4.189 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.904 20.372 4.972 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.240 19.626 1.672 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.044 23.357 2.557 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.482 21.635 0.700 1.00 0.00 H new ATOM 882 N ALA A 52 11.044 20.148 8.147 1.00 0.00 N ATOM 883 CA ALA A 52 10.761 20.815 9.407 1.00 0.00 C ATOM 884 C ALA A 52 9.383 20.381 9.910 1.00 0.00 C ATOM 885 O ALA A 52 8.368 20.969 9.538 1.00 0.00 O ATOM 886 CB ALA A 52 10.862 22.330 9.217 1.00 0.00 C ATOM 0 H ALA A 52 11.851 19.525 8.166 1.00 0.00 H new ATOM 0 HA ALA A 52 11.493 20.532 10.164 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.650 22.830 10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.868 22.589 8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.140 22.651 8.466 1.00 0.00 H new ATOM 892 N LYS A 53 9.390 19.355 10.749 1.00 0.00 N ATOM 893 CA LYS A 53 8.153 18.836 11.307 1.00 0.00 C ATOM 894 C LYS A 53 7.790 19.633 12.561 1.00 0.00 C ATOM 895 O LYS A 53 6.958 20.538 12.507 1.00 0.00 O ATOM 896 CB LYS A 53 8.265 17.329 11.548 1.00 0.00 C ATOM 897 CG LYS A 53 7.100 16.581 10.896 1.00 0.00 C ATOM 898 CD LYS A 53 7.556 15.854 9.629 1.00 0.00 C ATOM 899 CE LYS A 53 7.344 14.344 9.758 1.00 0.00 C ATOM 900 NZ LYS A 53 8.475 13.608 9.151 1.00 0.00 N ATOM 0 H LYS A 53 10.233 18.869 11.056 1.00 0.00 H new ATOM 0 HA LYS A 53 7.334 18.963 10.600 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.209 16.962 11.145 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.277 17.128 12.619 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.684 15.862 11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.304 17.284 10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.002 16.231 8.770 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.610 16.063 9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.248 14.073 10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.412 14.059 9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.349 12.588 9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.507 13.801 8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.366 13.917 9.589 1.00 0.00 H new ATOM 913 N VAL A 54 8.433 19.270 13.662 1.00 0.00 N ATOM 914 CA VAL A 54 8.188 19.940 14.927 1.00 0.00 C ATOM 915 C VAL A 54 9.016 21.225 14.988 1.00 0.00 C ATOM 916 O VAL A 54 9.764 21.441 15.940 1.00 0.00 O ATOM 917 CB VAL A 54 8.477 18.987 16.089 1.00 0.00 C ATOM 918 CG1 VAL A 54 7.543 17.776 16.050 1.00 0.00 C ATOM 919 CG2 VAL A 54 9.943 18.549 16.087 1.00 0.00 C ATOM 0 H VAL A 54 9.123 18.520 13.703 1.00 0.00 H new ATOM 0 HA VAL A 54 7.139 20.225 15.011 1.00 0.00 H new ATOM 0 HB VAL A 54 8.289 19.525 17.018 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.769 17.115 16.886 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.509 18.112 16.123 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.685 17.237 15.113 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.122 17.872 16.923 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.169 18.037 15.151 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.585 19.425 16.186 1.00 0.00 H new ATOM 929 N ARG A 55 8.855 22.044 13.959 1.00 0.00 N ATOM 930 CA ARG A 55 9.579 23.301 13.883 1.00 0.00 C ATOM 931 C ARG A 55 8.675 24.401 13.322 1.00 0.00 C ATOM 932 O ARG A 55 8.778 24.756 12.149 1.00 0.00 O ATOM 933 CB ARG A 55 10.820 23.170 12.998 1.00 0.00 C ATOM 934 CG ARG A 55 12.085 23.021 13.845 1.00 0.00 C ATOM 935 CD ARG A 55 12.808 21.712 13.525 1.00 0.00 C ATOM 936 NE ARG A 55 13.572 21.254 14.707 1.00 0.00 N ATOM 937 CZ ARG A 55 14.091 20.015 14.839 1.00 0.00 C ATOM 938 NH1 ARG A 55 13.932 19.098 13.862 1.00 0.00 N ATOM 939 NH2 ARG A 55 14.756 19.713 15.939 1.00 0.00 N ATOM 0 H ARG A 55 8.234 21.861 13.171 1.00 0.00 H new ATOM 0 HA ARG A 55 9.893 23.564 14.893 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.714 22.306 12.342 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.908 24.047 12.357 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.752 23.863 13.660 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.824 23.047 14.903 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.086 20.950 13.231 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.481 21.856 12.680 1.00 0.00 H new ATOM 0 HE ARG A 55 13.715 21.916 15.470 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.416 19.339 13.016 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.328 18.164 13.970 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.871 20.412 16.673 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.154 18.781 16.054 1.00 0.00 H new ATOM 952 N LYS A 56 7.809 24.910 14.187 1.00 0.00 N ATOM 953 CA LYS A 56 6.888 25.962 13.793 1.00 0.00 C ATOM 954 C LYS A 56 7.646 27.287 13.693 1.00 0.00 C ATOM 955 O LYS A 56 8.841 27.346 13.981 1.00 0.00 O ATOM 956 CB LYS A 56 5.690 26.009 14.743 1.00 0.00 C ATOM 957 CG LYS A 56 4.868 24.721 14.654 1.00 0.00 C ATOM 958 CD LYS A 56 3.611 24.931 13.807 1.00 0.00 C ATOM 959 CE LYS A 56 2.401 24.243 14.442 1.00 0.00 C ATOM 960 NZ LYS A 56 1.768 23.315 13.479 1.00 0.00 N ATOM 0 H LYS A 56 7.726 24.613 15.159 1.00 0.00 H new ATOM 0 HA LYS A 56 6.475 25.756 12.806 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.038 26.152 15.766 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.060 26.864 14.498 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.475 23.927 14.220 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.586 24.395 15.655 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.413 25.998 13.701 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.774 24.536 12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.712 23.696 15.332 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.677 24.992 14.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.949 22.857 13.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.454 23.845 12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.456 22.590 13.192 1.00 0.00 H new ATOM 973 N HIS A 57 6.921 28.317 13.283 1.00 0.00 N ATOM 974 CA HIS A 57 7.510 29.638 13.142 1.00 0.00 C ATOM 975 C HIS A 57 6.544 30.692 13.686 1.00 0.00 C ATOM 976 O HIS A 57 6.116 31.584 12.955 1.00 0.00 O ATOM 977 CB HIS A 57 7.916 29.899 11.690 1.00 0.00 C ATOM 978 CG HIS A 57 6.818 29.634 10.688 1.00 0.00 C ATOM 979 ND1 HIS A 57 5.716 30.368 10.359 1.00 0.00 N flip ATOM 980 CD2 HIS A 57 6.783 28.500 9.896 1.00 0.00 C flip ATOM 981 CE1 HIS A 57 5.045 29.717 9.416 1.00 0.00 C flip ATOM 982 NE2 HIS A 57 5.705 28.558 9.128 1.00 0.00 N flip ATOM 0 H HIS A 57 5.931 28.264 13.044 1.00 0.00 H new ATOM 0 HA HIS A 57 8.425 29.697 13.731 1.00 0.00 H new ATOM 0 HB2 HIS A 57 8.238 30.936 11.594 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.775 29.274 11.446 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.452 31.264 10.768 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.511 27.702 9.903 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.128 30.050 8.953 1.00 0.00 H new ATOM 990 N GLN A 58 6.230 30.555 14.966 1.00 0.00 N ATOM 991 CA GLN A 58 5.322 31.485 15.617 1.00 0.00 C ATOM 992 C GLN A 58 5.263 31.205 17.120 1.00 0.00 C ATOM 993 O GLN A 58 5.822 30.216 17.593 1.00 0.00 O ATOM 994 CB GLN A 58 3.927 31.418 14.991 1.00 0.00 C ATOM 995 CG GLN A 58 3.280 30.054 15.239 1.00 0.00 C ATOM 996 CD GLN A 58 1.784 30.091 14.920 1.00 0.00 C ATOM 997 OE1 GLN A 58 1.097 31.070 15.159 1.00 0.00 O ATOM 998 NE2 GLN A 58 1.320 28.973 14.370 1.00 0.00 N ATOM 0 H GLN A 58 6.588 29.815 15.570 1.00 0.00 H new ATOM 0 HA GLN A 58 5.702 32.496 15.471 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.299 32.204 15.409 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.996 31.602 13.919 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.768 29.299 14.623 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.427 29.761 16.279 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.950 28.190 14.197 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.334 28.898 14.121 1.00 0.00 H new ATOM 1007 N ARG A 59 4.581 32.092 17.829 1.00 0.00 N ATOM 1008 CA ARG A 59 4.442 31.953 19.268 1.00 0.00 C ATOM 1009 C ARG A 59 3.065 32.446 19.718 1.00 0.00 C ATOM 1010 O ARG A 59 2.717 33.606 19.506 1.00 0.00 O ATOM 1011 CB ARG A 59 5.525 32.742 20.006 1.00 0.00 C ATOM 1012 CG ARG A 59 5.392 34.242 19.733 1.00 0.00 C ATOM 1013 CD ARG A 59 6.645 34.995 20.185 1.00 0.00 C ATOM 1014 NE ARG A 59 7.784 34.657 19.303 1.00 0.00 N ATOM 1015 CZ ARG A 59 8.033 35.263 18.122 1.00 0.00 C ATOM 1016 NH1 ARG A 59 7.222 36.243 17.671 1.00 0.00 N ATOM 1017 NH2 ARG A 59 9.080 34.881 17.415 1.00 0.00 N ATOM 0 H ARG A 59 4.118 32.910 17.433 1.00 0.00 H new ATOM 0 HA ARG A 59 4.551 30.896 19.511 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.450 32.556 21.077 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.510 32.397 19.691 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.228 34.408 18.668 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.519 34.634 20.255 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.462 36.069 20.161 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.883 34.735 21.216 1.00 0.00 H new ATOM 0 HE ARG A 59 8.421 33.920 19.606 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.414 36.531 18.223 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.417 36.696 16.778 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.687 34.138 17.763 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.282 35.328 16.521 1.00 0.00 H new ATOM 1030 N LYS A 60 2.319 31.539 20.332 1.00 0.00 N ATOM 1031 CA LYS A 60 0.988 31.868 20.814 1.00 0.00 C ATOM 1032 C LYS A 60 1.104 32.678 22.107 1.00 0.00 C ATOM 1033 O LYS A 60 1.825 32.290 23.024 1.00 0.00 O ATOM 1034 CB LYS A 60 0.142 30.601 20.956 1.00 0.00 C ATOM 1035 CG LYS A 60 -0.917 30.522 19.855 1.00 0.00 C ATOM 1036 CD LYS A 60 -0.300 30.064 18.532 1.00 0.00 C ATOM 1037 CE LYS A 60 -0.854 28.701 18.111 1.00 0.00 C ATOM 1038 NZ LYS A 60 -0.625 28.473 16.667 1.00 0.00 N ATOM 0 H LYS A 60 2.611 30.577 20.507 1.00 0.00 H new ATOM 0 HA LYS A 60 0.465 32.494 20.091 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.786 29.723 20.910 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.342 30.590 21.933 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.704 29.829 20.152 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.384 31.498 19.724 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.508 30.800 17.756 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.784 30.005 18.633 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.374 27.912 18.690 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.921 28.652 18.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.352 27.827 16.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.677 29.379 16.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.315 28.052 16.527 1.00 0.00 H new ATOM 1051 N PHE A 61 0.382 33.789 22.138 1.00 0.00 N ATOM 1052 CA PHE A 61 0.395 34.657 23.302 1.00 0.00 C ATOM 1053 C PHE A 61 -0.630 35.784 23.158 1.00 0.00 C ATOM 1054 O PHE A 61 -0.457 36.683 22.337 1.00 0.00 O ATOM 1055 CB PHE A 61 1.796 35.267 23.391 1.00 0.00 C ATOM 1056 CG PHE A 61 1.894 36.467 24.334 1.00 0.00 C ATOM 1057 CD1 PHE A 61 1.621 37.718 23.873 1.00 0.00 C ATOM 1058 CD2 PHE A 61 2.254 36.285 25.633 1.00 0.00 C ATOM 1059 CE1 PHE A 61 1.712 38.832 24.749 1.00 0.00 C ATOM 1060 CE2 PHE A 61 2.345 37.399 26.508 1.00 0.00 C ATOM 1061 CZ PHE A 61 2.072 38.649 26.047 1.00 0.00 C ATOM 0 H PHE A 61 -0.216 34.107 21.375 1.00 0.00 H new ATOM 0 HA PHE A 61 0.143 34.084 24.195 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.495 34.499 23.723 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.111 35.575 22.394 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.335 37.863 22.842 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.471 35.292 25.999 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.495 39.825 24.384 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.631 37.254 27.539 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.141 39.497 26.713 1.00 0.00 H new ATOM 1071 N LEU A 62 -1.674 35.698 23.969 1.00 0.00 N ATOM 1072 CA LEU A 62 -2.727 36.699 23.941 1.00 0.00 C ATOM 1073 C LEU A 62 -2.710 37.487 25.253 1.00 0.00 C ATOM 1074 O LEU A 62 -2.820 38.712 25.246 1.00 0.00 O ATOM 1075 CB LEU A 62 -4.077 36.049 23.633 1.00 0.00 C ATOM 1076 CG LEU A 62 -4.221 34.580 24.035 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -5.692 34.210 24.241 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -3.536 33.663 23.020 1.00 0.00 C ATOM 0 H LEU A 62 -1.813 34.951 24.649 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.552 37.413 23.136 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.857 36.621 24.136 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.262 36.132 22.562 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.716 34.436 24.990 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.767 33.161 24.526 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.116 34.831 25.030 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.242 34.374 23.314 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.654 32.625 23.330 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.990 33.802 22.039 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.475 33.908 22.967 1.00 0.00 H new ATOM 1090 N GLN A 63 -2.570 36.752 26.346 1.00 0.00 N ATOM 1091 CA GLN A 63 -2.537 37.367 27.662 1.00 0.00 C ATOM 1092 C GLN A 63 -1.385 36.792 28.488 1.00 0.00 C ATOM 1093 O GLN A 63 -0.333 37.418 28.614 1.00 0.00 O ATOM 1094 CB GLN A 63 -3.873 37.187 28.385 1.00 0.00 C ATOM 1095 CG GLN A 63 -4.782 38.398 28.166 1.00 0.00 C ATOM 1096 CD GLN A 63 -5.638 38.672 29.405 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -6.198 37.776 30.015 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -5.707 39.957 29.741 1.00 0.00 N ATOM 0 H GLN A 63 -2.478 35.736 26.347 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.370 38.437 27.537 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.368 36.286 28.023 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.698 37.048 29.452 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.177 39.275 27.937 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.427 38.222 27.305 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.213 40.656 29.186 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.254 40.243 30.553 1.00 0.00 H new ATOM 1107 N ALA A 64 -1.621 35.605 29.029 1.00 0.00 N ATOM 1108 CA ALA A 64 -0.616 34.939 29.839 1.00 0.00 C ATOM 1109 C ALA A 64 -0.686 35.471 31.271 1.00 0.00 C ATOM 1110 O ALA A 64 -0.170 36.548 31.563 1.00 0.00 O ATOM 1111 CB ALA A 64 0.764 35.140 29.209 1.00 0.00 C ATOM 0 H ALA A 64 -2.494 35.088 28.922 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.804 33.866 29.877 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.518 34.640 29.817 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.770 34.718 28.204 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.988 36.205 29.156 1.00 0.00 H new ATOM 1117 N ILE A 65 -1.330 34.691 32.127 1.00 0.00 N ATOM 1118 CA ILE A 65 -1.474 35.070 33.523 1.00 0.00 C ATOM 1119 C ILE A 65 -1.100 33.883 34.411 1.00 0.00 C ATOM 1120 O ILE A 65 0.067 33.501 34.484 1.00 0.00 O ATOM 1121 CB ILE A 65 -2.879 35.617 33.786 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -3.190 36.798 32.865 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -3.058 35.978 35.262 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -4.584 37.361 33.147 1.00 0.00 C ATOM 0 H ILE A 65 -1.758 33.798 31.881 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.789 35.881 33.771 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.600 34.832 33.556 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.443 37.579 33.005 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.126 36.479 31.825 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.065 36.364 35.423 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.908 35.089 35.875 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.329 36.738 35.542 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.780 38.200 32.479 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.330 36.584 32.982 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.637 37.701 34.181 1.00 0.00 H new ATOM 1136 N HIS A 66 -2.112 33.331 35.065 1.00 0.00 N ATOM 1137 CA HIS A 66 -1.903 32.195 35.946 1.00 0.00 C ATOM 1138 C HIS A 66 -2.942 31.114 35.644 1.00 0.00 C ATOM 1139 O HIS A 66 -3.576 30.584 36.556 1.00 0.00 O ATOM 1140 CB HIS A 66 -1.913 32.634 37.411 1.00 0.00 C ATOM 1141 CG HIS A 66 -0.640 32.315 38.157 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -0.615 32.036 39.513 1.00 0.00 N ATOM 1143 CD2 HIS A 66 0.651 32.232 37.723 1.00 0.00 C ATOM 1144 CE1 HIS A 66 0.640 31.798 39.868 1.00 0.00 C ATOM 1145 NE2 HIS A 66 1.422 31.921 38.757 1.00 0.00 N ATOM 0 H HIS A 66 -3.079 33.650 35.002 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.918 31.765 35.763 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.089 33.709 37.456 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.749 32.153 37.918 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.988 32.392 36.710 1.00 0.00 H new ATOM 0 HE1 HIS A 66 0.983 31.550 40.862 1.00 0.00 H new ATOM 0 HE2 HIS A 66 2.434 31.795 38.726 1.00 0.00 H new ATOM 1153 N GLN A 67 -3.086 30.818 34.360 1.00 0.00 N ATOM 1154 CA GLN A 67 -4.037 29.809 33.927 1.00 0.00 C ATOM 1155 C GLN A 67 -5.417 30.090 34.525 1.00 0.00 C ATOM 1156 O GLN A 67 -5.583 31.032 35.298 1.00 0.00 O ATOM 1157 CB GLN A 67 -3.555 28.405 34.295 1.00 0.00 C ATOM 1158 CG GLN A 67 -2.047 28.268 34.074 1.00 0.00 C ATOM 1159 CD GLN A 67 -1.310 28.110 35.405 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -1.829 28.400 36.471 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -0.073 27.635 35.286 1.00 0.00 N ATOM 0 H GLN A 67 -2.560 31.260 33.606 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.116 29.855 32.841 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.794 28.196 35.338 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.083 27.666 33.693 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.846 27.406 33.438 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.672 29.146 33.548 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.301 27.412 34.364 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.501 27.494 36.117 1.00 0.00 H new ATOM 1170 N LEU A 68 -6.373 29.254 34.145 1.00 0.00 N ATOM 1171 CA LEU A 68 -7.733 29.400 34.635 1.00 0.00 C ATOM 1172 C LEU A 68 -7.864 28.691 35.984 1.00 0.00 C ATOM 1173 O LEU A 68 -8.629 27.737 36.117 1.00 0.00 O ATOM 1174 CB LEU A 68 -8.735 28.914 33.585 1.00 0.00 C ATOM 1175 CG LEU A 68 -8.747 29.682 32.262 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -9.173 28.776 31.106 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -9.621 30.934 32.363 1.00 0.00 C ATOM 0 H LEU A 68 -6.232 28.474 33.504 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.966 30.451 34.804 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.527 27.866 33.371 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.735 28.959 34.017 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.731 30.015 32.051 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.173 29.347 30.177 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.475 27.943 31.020 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.175 28.391 31.295 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.612 31.462 31.409 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.643 30.645 32.609 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.231 31.588 33.143 1.00 0.00 H new ATOM 1189 N ARG A 69 -7.105 29.185 36.952 1.00 0.00 N ATOM 1190 CA ARG A 69 -7.126 28.611 38.286 1.00 0.00 C ATOM 1191 C ARG A 69 -6.135 29.342 39.194 1.00 0.00 C ATOM 1192 O ARG A 69 -5.248 30.045 38.712 1.00 0.00 O ATOM 1193 CB ARG A 69 -6.774 27.123 38.252 1.00 0.00 C ATOM 1194 CG ARG A 69 -5.355 26.908 37.720 1.00 0.00 C ATOM 1195 CD ARG A 69 -5.043 25.416 37.581 1.00 0.00 C ATOM 1196 NE ARG A 69 -3.588 25.188 37.728 1.00 0.00 N ATOM 1197 CZ ARG A 69 -2.976 24.012 37.473 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -3.690 22.945 37.054 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -1.670 23.921 37.639 1.00 0.00 N ATOM 0 H ARG A 69 -6.472 29.977 36.838 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.136 28.724 38.679 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.858 26.703 39.254 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.487 26.591 37.622 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.247 27.398 36.752 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.635 27.373 38.394 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.587 24.850 38.338 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.380 25.054 36.609 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.011 25.969 38.042 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.699 23.024 36.928 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.220 22.060 36.863 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.138 24.732 37.956 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.192 23.040 37.451 1.00 0.00 H new ATOM 1212 N SER A 70 -6.318 29.150 40.492 1.00 0.00 N ATOM 1213 CA SER A 70 -5.451 29.782 41.472 1.00 0.00 C ATOM 1214 C SER A 70 -5.256 28.856 42.674 1.00 0.00 C ATOM 1215 O SER A 70 -5.292 29.303 43.819 1.00 0.00 O ATOM 1216 CB SER A 70 -6.020 31.128 41.925 1.00 0.00 C ATOM 1217 OG SER A 70 -5.067 32.180 41.803 1.00 0.00 O ATOM 0 H SER A 70 -7.054 28.566 40.888 1.00 0.00 H new ATOM 0 HA SER A 70 -4.484 29.966 41.004 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.902 31.367 41.330 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.346 31.053 42.962 1.00 0.00 H new ATOM 0 HG SER A 70 -5.470 33.022 42.101 1.00 0.00 H new ATOM 1223 N VAL A 71 -5.056 27.581 42.372 1.00 0.00 N ATOM 1224 CA VAL A 71 -4.856 26.588 43.414 1.00 0.00 C ATOM 1225 C VAL A 71 -6.092 26.544 44.314 1.00 0.00 C ATOM 1226 O VAL A 71 -6.041 26.007 45.420 1.00 0.00 O ATOM 1227 CB VAL A 71 -3.567 26.887 44.182 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -3.406 25.939 45.372 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -2.350 26.819 43.257 1.00 0.00 C ATOM 0 H VAL A 71 -5.028 27.213 41.421 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.736 25.596 42.978 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.636 27.903 44.571 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.482 26.173 45.901 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.252 26.058 46.049 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.369 24.910 45.015 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.447 27.035 43.828 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.276 25.821 42.826 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.459 27.552 42.458 1.00 0.00 H new ATOM 1239 N LYS A 72 -7.175 27.116 43.808 1.00 0.00 N ATOM 1240 CA LYS A 72 -8.422 27.149 44.553 1.00 0.00 C ATOM 1241 C LYS A 72 -9.566 27.521 43.607 1.00 0.00 C ATOM 1242 O LYS A 72 -10.195 28.566 43.769 1.00 0.00 O ATOM 1243 CB LYS A 72 -8.298 28.077 45.763 1.00 0.00 C ATOM 1244 CG LYS A 72 -7.672 27.346 46.953 1.00 0.00 C ATOM 1245 CD LYS A 72 -8.302 27.802 48.270 1.00 0.00 C ATOM 1246 CE LYS A 72 -7.413 28.826 48.978 1.00 0.00 C ATOM 1247 NZ LYS A 72 -8.056 30.159 48.979 1.00 0.00 N ATOM 0 H LYS A 72 -7.214 27.560 42.891 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.651 26.163 44.958 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.688 28.942 45.501 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.283 28.453 46.040 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.806 26.271 46.835 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.598 27.533 46.975 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.282 28.238 48.077 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.459 26.941 48.919 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.225 28.506 50.003 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.446 28.883 48.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.342 30.889 49.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.486 30.338 48.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.793 30.188 49.712 1.00 0.00 H new ATOM 1260 N MET A 73 -9.800 26.646 42.641 1.00 0.00 N ATOM 1261 CA MET A 73 -10.858 26.869 41.670 1.00 0.00 C ATOM 1262 C MET A 73 -12.235 26.648 42.298 1.00 0.00 C ATOM 1263 O MET A 73 -12.996 25.792 41.849 1.00 0.00 O ATOM 1264 CB MET A 73 -10.676 25.914 40.488 1.00 0.00 C ATOM 1265 CG MET A 73 -10.813 24.457 40.935 1.00 0.00 C ATOM 1266 SD MET A 73 -11.901 23.578 39.825 1.00 0.00 S ATOM 1267 CE MET A 73 -10.816 22.258 39.310 1.00 0.00 C ATOM 0 H MET A 73 -9.275 25.781 42.509 1.00 0.00 H new ATOM 0 HA MET A 73 -10.798 27.902 41.327 1.00 0.00 H new ATOM 0 HB2 MET A 73 -11.418 26.134 39.720 1.00 0.00 H new ATOM 0 HB3 MET A 73 -9.696 26.069 40.038 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.833 23.979 40.951 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.205 24.415 41.951 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.340 21.609 38.609 1.00 0.00 H new ATOM 0 HE2 MET A 73 -9.935 22.679 38.826 1.00 0.00 H new ATOM 0 HE3 MET A 73 -10.509 21.679 40.181 1.00 0.00 H new ATOM 1277 N GLU A 74 -12.514 27.434 43.327 1.00 0.00 N ATOM 1278 CA GLU A 74 -13.786 27.335 44.022 1.00 0.00 C ATOM 1279 C GLU A 74 -13.808 28.277 45.227 1.00 0.00 C ATOM 1280 O GLU A 74 -14.268 27.901 46.304 1.00 0.00 O ATOM 1281 CB GLU A 74 -14.068 25.893 44.447 1.00 0.00 C ATOM 1282 CG GLU A 74 -12.857 25.285 45.158 1.00 0.00 C ATOM 1283 CD GLU A 74 -12.990 23.765 45.265 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -12.632 23.043 44.322 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -13.485 23.337 46.377 1.00 0.00 O ATOM 0 H GLU A 74 -11.880 28.143 43.697 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.577 27.637 43.336 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.934 25.868 45.109 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.319 25.294 43.571 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.947 25.536 44.613 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.762 25.716 46.154 1.00 0.00 H new ATOM 1293 N GLN A 75 -13.305 29.482 45.005 1.00 0.00 N ATOM 1294 CA GLN A 75 -13.261 30.481 46.060 1.00 0.00 C ATOM 1295 C GLN A 75 -14.415 31.472 45.901 1.00 0.00 C ATOM 1296 O GLN A 75 -14.512 32.160 44.886 1.00 0.00 O ATOM 1297 CB GLN A 75 -11.913 31.205 46.073 1.00 0.00 C ATOM 1298 CG GLN A 75 -11.919 32.355 47.082 1.00 0.00 C ATOM 1299 CD GLN A 75 -10.618 32.385 47.887 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -9.545 32.078 47.394 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -10.773 32.770 49.151 1.00 0.00 N ATOM 0 H GLN A 75 -12.924 29.790 44.110 1.00 0.00 H new ATOM 0 HA GLN A 75 -13.373 29.975 47.019 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.120 30.500 46.324 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.694 31.591 45.077 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.049 33.302 46.558 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.767 32.246 47.758 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.700 33.013 49.500 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.965 32.822 49.771 1.00 0.00 H new ATOM 1310 N ARG A 76 -15.261 31.514 46.920 1.00 0.00 N ATOM 1311 CA ARG A 76 -16.405 32.410 46.906 1.00 0.00 C ATOM 1312 C ARG A 76 -16.044 33.743 47.565 1.00 0.00 C ATOM 1313 O ARG A 76 -15.300 33.773 48.545 1.00 0.00 O ATOM 1314 CB ARG A 76 -17.597 31.793 47.640 1.00 0.00 C ATOM 1315 CG ARG A 76 -17.168 31.203 48.985 1.00 0.00 C ATOM 1316 CD ARG A 76 -18.353 31.116 49.949 1.00 0.00 C ATOM 1317 NE ARG A 76 -18.006 30.253 51.100 1.00 0.00 N ATOM 1318 CZ ARG A 76 -17.857 28.914 51.025 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -18.023 28.271 49.849 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -17.546 28.242 52.118 1.00 0.00 N ATOM 0 H ARG A 76 -15.177 30.942 47.760 1.00 0.00 H new ATOM 0 HA ARG A 76 -16.681 32.578 45.865 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -18.363 32.552 47.800 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -18.045 31.014 47.023 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -16.745 30.210 48.832 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.383 31.820 49.423 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -18.622 32.113 50.299 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -19.224 30.714 49.432 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.871 30.699 52.008 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.263 28.798 49.009 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.909 27.259 49.801 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -17.422 28.735 53.002 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.430 27.229 52.078 1.00 0.00 H new ATOM 1333 N LYS A 77 -16.586 34.812 47.001 1.00 0.00 N ATOM 1334 CA LYS A 77 -16.330 36.144 47.522 1.00 0.00 C ATOM 1335 C LYS A 77 -17.294 37.136 46.869 1.00 0.00 C ATOM 1336 O LYS A 77 -17.706 36.946 45.726 1.00 0.00 O ATOM 1337 CB LYS A 77 -14.855 36.513 47.348 1.00 0.00 C ATOM 1338 CG LYS A 77 -14.606 37.138 45.974 1.00 0.00 C ATOM 1339 CD LYS A 77 -13.108 37.208 45.667 1.00 0.00 C ATOM 1340 CE LYS A 77 -12.635 38.659 45.572 1.00 0.00 C ATOM 1341 NZ LYS A 77 -12.311 39.009 44.171 1.00 0.00 N ATOM 0 H LYS A 77 -17.202 34.783 46.188 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.518 36.176 48.595 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -14.556 37.212 48.129 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.237 35.622 47.464 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.111 36.551 45.207 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.034 38.140 45.943 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.549 36.690 46.446 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.901 36.692 44.729 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.410 39.326 45.949 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.757 38.803 46.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.992 39.998 44.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.556 38.385 43.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.158 38.891 43.579 1.00 0.00 H new ATOM 1354 N LEU A 78 -17.625 38.174 47.623 1.00 0.00 N ATOM 1355 CA LEU A 78 -18.533 39.197 47.132 1.00 0.00 C ATOM 1356 C LEU A 78 -18.280 40.503 47.888 1.00 0.00 C ATOM 1357 O LEU A 78 -18.179 41.567 47.279 1.00 0.00 O ATOM 1358 CB LEU A 78 -19.982 38.710 47.212 1.00 0.00 C ATOM 1359 CG LEU A 78 -20.228 37.475 48.080 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -21.563 37.582 48.819 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -20.133 36.193 47.250 1.00 0.00 C ATOM 0 H LEU A 78 -17.281 38.329 48.571 1.00 0.00 H new ATOM 0 HA LEU A 78 -18.346 39.398 46.077 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -20.598 39.525 47.592 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -20.328 38.494 46.201 1.00 0.00 H new ATOM 0 HG LEU A 78 -19.444 37.427 48.836 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -21.714 36.691 49.429 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -21.554 38.464 49.460 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -22.374 37.668 48.095 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -20.312 35.330 47.892 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -20.880 36.217 46.457 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -19.139 36.118 46.809 1.00 0.00 H new ATOM 1373 N ASN A 79 -18.186 40.379 49.204 1.00 0.00 N ATOM 1374 CA ASN A 79 -17.947 41.536 50.049 1.00 0.00 C ATOM 1375 C ASN A 79 -16.441 41.792 50.143 1.00 0.00 C ATOM 1376 O ASN A 79 -15.905 41.968 51.236 1.00 0.00 O ATOM 1377 CB ASN A 79 -18.476 41.302 51.465 1.00 0.00 C ATOM 1378 CG ASN A 79 -19.953 41.686 51.569 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -20.324 42.848 51.531 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -20.773 40.648 51.703 1.00 0.00 N ATOM 0 H ASN A 79 -18.271 39.495 49.705 1.00 0.00 H new ATOM 0 HA ASN A 79 -18.463 42.388 49.607 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -18.349 40.254 51.736 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -17.893 41.888 52.176 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -21.779 40.799 51.781 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -20.396 39.700 51.728 1.00 0.00 H new ATOM 1387 N ASP A 80 -15.802 41.803 48.982 1.00 0.00 N ATOM 1388 CA ASP A 80 -14.369 42.035 48.920 1.00 0.00 C ATOM 1389 C ASP A 80 -13.635 40.815 49.481 1.00 0.00 C ATOM 1390 O ASP A 80 -12.920 40.127 48.754 1.00 0.00 O ATOM 1391 CB ASP A 80 -13.970 43.252 49.755 1.00 0.00 C ATOM 1392 CG ASP A 80 -12.602 43.848 49.418 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -12.493 44.779 48.606 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -11.606 43.310 50.037 1.00 0.00 O ATOM 0 H ASP A 80 -16.250 41.655 48.078 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.101 42.210 47.878 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.728 44.025 49.628 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.977 42.969 50.808 1.00 0.00 H new ATOM 1400 N GLN A 81 -13.838 40.584 50.770 1.00 0.00 N ATOM 1401 CA GLN A 81 -13.204 39.460 51.438 1.00 0.00 C ATOM 1402 C GLN A 81 -13.858 39.214 52.799 1.00 0.00 C ATOM 1403 O GLN A 81 -14.378 40.140 53.418 1.00 0.00 O ATOM 1404 CB GLN A 81 -11.698 39.688 51.586 1.00 0.00 C ATOM 1405 CG GLN A 81 -11.410 40.838 52.552 1.00 0.00 C ATOM 1406 CD GLN A 81 -10.424 40.407 53.639 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -10.782 40.175 54.782 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -9.165 40.314 53.221 1.00 0.00 N ATOM 0 H GLN A 81 -14.433 41.156 51.369 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.344 38.571 50.823 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.222 38.776 51.948 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.263 39.909 50.612 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.002 41.686 52.002 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.340 41.173 53.012 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.933 40.523 52.250 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.431 40.034 53.872 1.00 0.00 H new ATOM 1417 N ALA A 82 -13.810 37.960 53.224 1.00 0.00 N ATOM 1418 CA ALA A 82 -14.391 37.580 54.501 1.00 0.00 C ATOM 1419 C ALA A 82 -15.861 38.003 54.533 1.00 0.00 C ATOM 1420 O ALA A 82 -16.369 38.570 53.566 1.00 0.00 O ATOM 1421 CB ALA A 82 -13.580 38.204 55.637 1.00 0.00 C ATOM 0 H ALA A 82 -13.378 37.194 52.707 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.356 36.498 54.632 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.016 37.919 56.594 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.551 37.849 55.587 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.594 39.290 55.541 1.00 0.00 H new ATOM 1427 N ASN A 83 -16.503 37.712 55.655 1.00 0.00 N ATOM 1428 CA ASN A 83 -17.905 38.055 55.826 1.00 0.00 C ATOM 1429 C ASN A 83 -18.013 39.478 56.378 1.00 0.00 C ATOM 1430 O ASN A 83 -18.107 40.438 55.616 1.00 0.00 O ATOM 1431 CB ASN A 83 -18.587 37.110 56.816 1.00 0.00 C ATOM 1432 CG ASN A 83 -19.201 35.909 56.094 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -18.911 35.629 54.943 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -20.064 35.217 56.833 1.00 0.00 N ATOM 0 H ASN A 83 -16.078 37.243 56.455 1.00 0.00 H new ATOM 0 HA ASN A 83 -18.393 37.972 54.855 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -17.862 36.764 57.553 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -19.363 37.647 57.361 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -20.528 34.397 56.442 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -20.262 35.506 57.791 1.00 0.00 H new ATOM 1441 N THR A 84 -17.996 39.568 57.700 1.00 0.00 N ATOM 1442 CA THR A 84 -18.091 40.857 58.364 1.00 0.00 C ATOM 1443 C THR A 84 -19.124 41.742 57.664 1.00 0.00 C ATOM 1444 O THR A 84 -18.778 42.524 56.779 1.00 0.00 O ATOM 1445 CB THR A 84 -16.691 41.472 58.405 1.00 0.00 C ATOM 1446 OG1 THR A 84 -16.239 41.397 57.055 1.00 0.00 O ATOM 1447 CG2 THR A 84 -15.694 40.608 59.180 1.00 0.00 C ATOM 0 H THR A 84 -17.918 38.769 58.329 1.00 0.00 H new ATOM 0 HA THR A 84 -18.444 40.749 59.390 1.00 0.00 H new ATOM 0 HB THR A 84 -16.743 42.462 58.859 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.965 41.659 56.452 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.716 41.090 59.178 1.00 0.00 H new ATOM 0 HG22 THR A 84 -16.038 40.488 60.207 1.00 0.00 H new ATOM 0 HG23 THR A 84 -15.616 39.629 58.707 1.00 0.00 H new ATOM 1455 N LEU A 85 -20.370 41.590 58.086 1.00 0.00 N ATOM 1456 CA LEU A 85 -21.456 42.366 57.510 1.00 0.00 C ATOM 1457 C LEU A 85 -22.023 43.308 58.574 1.00 0.00 C ATOM 1458 O LEU A 85 -22.814 44.197 58.263 1.00 0.00 O ATOM 1459 CB LEU A 85 -22.503 41.442 56.886 1.00 0.00 C ATOM 1460 CG LEU A 85 -23.261 40.535 57.856 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -24.624 41.132 58.214 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -23.386 39.116 57.297 1.00 0.00 C ATOM 0 H LEU A 85 -20.653 40.941 58.820 1.00 0.00 H new ATOM 0 HA LEU A 85 -21.089 42.989 56.695 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -23.228 42.056 56.352 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -22.009 40.815 56.144 1.00 0.00 H new ATOM 0 HG LEU A 85 -22.686 40.468 58.780 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -25.142 40.467 58.905 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -24.483 42.105 58.684 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -25.219 41.249 57.308 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -23.929 38.492 58.007 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -23.926 39.144 56.351 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -22.392 38.700 57.135 1.00 0.00 H new ATOM 1474 N VAL A 86 -21.598 43.081 59.808 1.00 0.00 N ATOM 1475 CA VAL A 86 -22.054 43.898 60.919 1.00 0.00 C ATOM 1476 C VAL A 86 -20.990 43.895 62.019 1.00 0.00 C ATOM 1477 O VAL A 86 -21.143 43.218 63.034 1.00 0.00 O ATOM 1478 CB VAL A 86 -23.418 43.405 61.406 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -23.451 41.877 61.489 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -23.780 44.035 62.753 1.00 0.00 C ATOM 0 H VAL A 86 -20.942 42.342 60.063 1.00 0.00 H new ATOM 0 HA VAL A 86 -22.191 44.932 60.602 1.00 0.00 H new ATOM 0 HB VAL A 86 -24.167 43.717 60.678 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -24.431 41.553 61.838 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -23.259 41.455 60.503 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -22.686 41.534 62.186 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -24.754 43.668 63.076 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -23.027 43.767 63.494 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -23.817 45.119 62.649 1.00 0.00 H new ATOM 1490 N ASP A 87 -19.935 44.660 61.779 1.00 0.00 N ATOM 1491 CA ASP A 87 -18.846 44.755 62.736 1.00 0.00 C ATOM 1492 C ASP A 87 -17.748 45.655 62.166 1.00 0.00 C ATOM 1493 O ASP A 87 -16.631 45.201 61.924 1.00 0.00 O ATOM 1494 CB ASP A 87 -18.234 43.380 63.012 1.00 0.00 C ATOM 1495 CG ASP A 87 -17.839 42.586 61.765 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -18.074 43.023 60.628 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -17.259 41.457 61.998 1.00 0.00 O ATOM 0 H ASP A 87 -19.811 45.220 60.935 1.00 0.00 H new ATOM 0 HA ASP A 87 -19.247 45.164 63.663 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.350 43.511 63.636 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.947 42.791 63.589 1.00 0.00 H new ATOM 1503 N LEU A 88 -18.105 46.916 61.968 1.00 0.00 N ATOM 1504 CA LEU A 88 -17.163 47.884 61.431 1.00 0.00 C ATOM 1505 C LEU A 88 -16.027 48.095 62.434 1.00 0.00 C ATOM 1506 O LEU A 88 -14.896 48.380 62.044 1.00 0.00 O ATOM 1507 CB LEU A 88 -17.887 49.175 61.042 1.00 0.00 C ATOM 1508 CG LEU A 88 -18.177 50.152 62.183 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -17.937 51.597 61.741 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -19.589 49.948 62.734 1.00 0.00 C ATOM 0 H LEU A 88 -19.033 47.289 62.170 1.00 0.00 H new ATOM 0 HA LEU A 88 -16.712 47.508 60.513 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.289 49.691 60.291 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -18.832 48.909 60.569 1.00 0.00 H new ATOM 0 HG LEU A 88 -17.482 49.944 62.996 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -18.150 52.271 62.570 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.898 51.716 61.435 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -18.592 51.835 60.903 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -19.769 50.655 63.544 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -20.317 50.113 61.940 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -19.689 48.930 63.112 1.00 0.00 H new ATOM 1522 N ALA A 89 -16.367 47.946 63.706 1.00 0.00 N ATOM 1523 CA ALA A 89 -15.390 48.116 64.767 1.00 0.00 C ATOM 1524 C ALA A 89 -16.054 47.835 66.116 1.00 0.00 C ATOM 1525 O ALA A 89 -16.483 48.759 66.805 1.00 0.00 O ATOM 1526 CB ALA A 89 -14.795 49.523 64.692 1.00 0.00 C ATOM 0 H ALA A 89 -17.306 47.709 64.025 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.569 47.408 64.650 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.062 49.651 65.488 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.310 49.662 63.726 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -15.589 50.261 64.808 1.00 0.00 H new ATOM 1532 N LYS A 90 -16.118 46.555 66.453 1.00 0.00 N ATOM 1533 CA LYS A 90 -16.723 46.141 67.708 1.00 0.00 C ATOM 1534 C LYS A 90 -18.220 46.455 67.675 1.00 0.00 C ATOM 1535 O LYS A 90 -18.758 46.827 66.633 1.00 0.00 O ATOM 1536 CB LYS A 90 -15.987 46.772 68.891 1.00 0.00 C ATOM 1537 CG LYS A 90 -14.505 46.393 68.881 1.00 0.00 C ATOM 1538 CD LYS A 90 -14.281 45.037 69.552 1.00 0.00 C ATOM 1539 CE LYS A 90 -12.848 44.548 69.334 1.00 0.00 C ATOM 1540 NZ LYS A 90 -11.895 45.373 70.110 1.00 0.00 N ATOM 0 H LYS A 90 -15.761 45.791 65.879 1.00 0.00 H new ATOM 0 HA LYS A 90 -16.626 45.064 67.841 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -16.089 47.856 68.850 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -16.444 46.444 69.825 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.142 46.359 67.854 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.927 47.159 69.398 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.483 45.118 70.620 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.983 44.307 69.149 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.764 43.504 69.636 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.599 44.594 68.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.927 45.028 69.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.964 46.364 69.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.124 45.308 71.122 1.00 0.00 H new ATOM 1553 N THR A 91 -18.851 46.294 68.829 1.00 0.00 N ATOM 1554 CA THR A 91 -20.275 46.556 68.947 1.00 0.00 C ATOM 1555 C THR A 91 -20.527 47.714 69.914 1.00 0.00 C ATOM 1556 O THR A 91 -21.270 47.568 70.883 1.00 0.00 O ATOM 1557 CB THR A 91 -20.962 45.255 69.365 1.00 0.00 C ATOM 1558 OG1 THR A 91 -22.351 45.526 69.195 1.00 0.00 O ATOM 1559 CG2 THR A 91 -20.818 44.971 70.861 1.00 0.00 C ATOM 0 H THR A 91 -18.402 45.985 69.691 1.00 0.00 H new ATOM 0 HA THR A 91 -20.699 46.873 67.994 1.00 0.00 H new ATOM 0 HB THR A 91 -20.543 44.425 68.796 1.00 0.00 H new ATOM 0 HG1 THR A 91 -22.621 46.245 69.804 1.00 0.00 H new ATOM 0 HG21 THR A 91 -21.323 44.036 71.104 1.00 0.00 H new ATOM 0 HG22 THR A 91 -19.761 44.889 71.116 1.00 0.00 H new ATOM 0 HG23 THR A 91 -21.266 45.785 71.431 1.00 0.00 H new ATOM 1567 N GLN A 92 -19.892 48.839 69.618 1.00 0.00 N ATOM 1568 CA GLN A 92 -20.038 50.022 70.450 1.00 0.00 C ATOM 1569 C GLN A 92 -19.733 49.684 71.910 1.00 0.00 C ATOM 1570 O GLN A 92 -20.625 49.709 72.757 1.00 0.00 O ATOM 1571 CB GLN A 92 -21.437 50.624 70.307 1.00 0.00 C ATOM 1572 CG GLN A 92 -21.442 51.766 69.289 1.00 0.00 C ATOM 1573 CD GLN A 92 -22.202 52.979 69.830 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -23.318 52.880 70.312 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -21.536 54.126 69.723 1.00 0.00 N ATOM 0 H GLN A 92 -19.275 48.956 68.814 1.00 0.00 H new ATOM 0 HA GLN A 92 -19.321 50.770 70.113 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -22.139 49.851 69.995 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -21.778 50.993 71.274 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -20.417 52.051 69.051 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -21.902 51.428 68.360 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -20.604 54.138 69.309 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -21.957 54.993 70.055 1.00 0.00 H new TER 1584 GLN A 92