USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 850 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -161:sc= 0 (180deg=-0.464) USER MOD Single : A 1 MET N :NH3+ -98:sc= -0.11 (180deg=-0.979) USER MOD Single : A 4 ASN : amide:sc= -0.069 K(o=-0.069,f=-2.1!) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.31 F(o=-0.82,f=-0.31) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.524) USER MOD Single : A 18 CYS SG : rot 81:sc= -3.76! USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0.375 K(o=0.38,f=-0.64) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 0:sc= -2! USER MOD Single : A 29 ASN : amide:sc= -8.27! C(o=-8.3!,f=-9.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -2.03 K(o=-2,f=-8.9!) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc=-0.00824 (180deg=-0.341) USER MOD Single : A 52 MET CE :methyl -175:sc= -14.7! (180deg=-15.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.106 X(o=0.11,f=0) USER MOD Single : A 59 ASN : amide:sc= -1.76! C(o=-1.8!,f=-4!) USER MOD Single : A 62 THR OG1 : rot -30:sc= -3.83! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.285 X(o=-0.28,f=0) USER MOD Single : A 73 SER OG : rot -59:sc= 0.772 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 160:sc= -0.0418 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -144:sc= -1.24 (180deg=-3.92!) USER MOD Single : A 83 SER OG : rot 160:sc= -1.5! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -52:sc= 1.02 USER MOD Single : A 88 LYS NZ :NH3+ -120:sc= 0.838 (180deg=-3.5!) USER MOD Single : A 92 SER OG : rot 161:sc= 0.658 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -152:sc= -0.637 (180deg=-0.924) USER MOD Single : A 101 THR OG1 : rot 37:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.232 -22.664 2.952 1.00 0.00 N ATOM 2 CA MET A 1 -26.037 -22.034 2.319 1.00 0.00 C ATOM 3 C MET A 1 -24.890 -21.945 3.329 1.00 0.00 C ATOM 4 O MET A 1 -25.092 -21.652 4.491 1.00 0.00 O ATOM 5 CB MET A 1 -26.499 -20.635 1.907 1.00 0.00 C ATOM 6 CG MET A 1 -26.731 -19.785 3.158 1.00 0.00 C ATOM 7 SD MET A 1 -28.140 -18.683 2.885 1.00 0.00 S ATOM 8 CE MET A 1 -27.470 -17.810 1.447 1.00 0.00 C ATOM 0 H1 MET A 1 -27.265 -23.673 2.703 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.171 -22.564 3.985 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.094 -22.194 2.609 1.00 0.00 H new ATOM 0 HA MET A 1 -25.668 -22.608 1.469 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.749 -20.166 1.270 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.417 -20.701 1.324 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.920 -20.428 4.018 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.838 -19.202 3.385 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.005 -16.870 1.310 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.411 -17.605 1.606 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.590 -18.428 0.557 1.00 0.00 H new ATOM 20 N ALA A 2 -23.685 -22.197 2.895 1.00 0.00 N ATOM 21 CA ALA A 2 -22.525 -22.126 3.830 1.00 0.00 C ATOM 22 C ALA A 2 -22.453 -20.742 4.479 1.00 0.00 C ATOM 23 O ALA A 2 -22.685 -20.588 5.662 1.00 0.00 O ATOM 24 CB ALA A 2 -21.296 -22.375 2.956 1.00 0.00 C ATOM 0 H ALA A 2 -23.453 -22.449 1.934 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.602 -22.852 4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.398 -22.339 3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.375 -23.356 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.237 -21.608 2.184 1.00 0.00 H new ATOM 30 N GLU A 3 -22.133 -19.734 3.714 1.00 0.00 N ATOM 31 CA GLU A 3 -22.046 -18.360 4.289 1.00 0.00 C ATOM 32 C GLU A 3 -21.482 -17.388 3.250 1.00 0.00 C ATOM 33 O GLU A 3 -20.664 -17.749 2.426 1.00 0.00 O ATOM 34 CB GLU A 3 -21.093 -18.488 5.477 1.00 0.00 C ATOM 35 CG GLU A 3 -21.813 -18.061 6.757 1.00 0.00 C ATOM 36 CD GLU A 3 -21.277 -18.869 7.940 1.00 0.00 C ATOM 37 OE1 GLU A 3 -20.102 -19.198 7.923 1.00 0.00 O ATOM 38 OE2 GLU A 3 -22.050 -19.147 8.842 1.00 0.00 O ATOM 0 H GLU A 3 -21.928 -19.802 2.717 1.00 0.00 H new ATOM 0 HA GLU A 3 -23.020 -17.974 4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.745 -19.517 5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -20.212 -17.867 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -21.663 -16.996 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -22.886 -18.218 6.652 1.00 0.00 H new ATOM 45 N ASN A 4 -21.911 -16.157 3.281 1.00 0.00 N ATOM 46 CA ASN A 4 -21.399 -15.163 2.295 1.00 0.00 C ATOM 47 C ASN A 4 -19.945 -14.804 2.612 1.00 0.00 C ATOM 48 O ASN A 4 -19.305 -14.066 1.889 1.00 0.00 O ATOM 49 CB ASN A 4 -22.301 -13.939 2.461 1.00 0.00 C ATOM 50 CG ASN A 4 -22.142 -13.019 1.249 1.00 0.00 C ATOM 51 OD1 ASN A 4 -21.691 -13.444 0.204 1.00 0.00 O ATOM 52 ND2 ASN A 4 -22.496 -11.767 1.345 1.00 0.00 N ATOM 0 H ASN A 4 -22.594 -15.796 3.947 1.00 0.00 H new ATOM 0 HA ASN A 4 -21.416 -15.547 1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -23.341 -14.251 2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -22.041 -13.403 3.374 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -22.394 -11.145 0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -22.875 -11.410 2.222 1.00 0.00 H new ATOM 59 N GLY A 5 -19.417 -15.324 3.688 1.00 0.00 N ATOM 60 CA GLY A 5 -18.005 -15.012 4.049 1.00 0.00 C ATOM 61 C GLY A 5 -17.791 -13.498 4.017 1.00 0.00 C ATOM 62 O GLY A 5 -17.324 -12.948 3.040 1.00 0.00 O ATOM 0 H GLY A 5 -19.902 -15.950 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.778 -15.401 5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -17.324 -15.501 3.352 1.00 0.00 H new ATOM 66 N ASP A 6 -18.130 -12.820 5.080 1.00 0.00 N ATOM 67 CA ASP A 6 -17.945 -11.341 5.110 1.00 0.00 C ATOM 68 C ASP A 6 -16.574 -10.967 4.538 1.00 0.00 C ATOM 69 O ASP A 6 -15.604 -11.679 4.709 1.00 0.00 O ATOM 70 CB ASP A 6 -18.032 -10.960 6.588 1.00 0.00 C ATOM 71 CG ASP A 6 -19.309 -10.152 6.833 1.00 0.00 C ATOM 72 OD1 ASP A 6 -19.384 -9.039 6.339 1.00 0.00 O ATOM 73 OD2 ASP A 6 -20.187 -10.661 7.509 1.00 0.00 O ATOM 0 H ASP A 6 -18.526 -13.226 5.928 1.00 0.00 H new ATOM 0 HA ASP A 6 -18.691 -10.820 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -18.033 -11.858 7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.158 -10.375 6.876 1.00 0.00 H new ATOM 78 N ASN A 7 -16.487 -9.855 3.861 1.00 0.00 N ATOM 79 CA ASN A 7 -15.178 -9.437 3.281 1.00 0.00 C ATOM 80 C ASN A 7 -14.671 -8.170 3.975 1.00 0.00 C ATOM 81 O ASN A 7 -13.863 -7.438 3.439 1.00 0.00 O ATOM 82 CB ASN A 7 -15.472 -9.159 1.806 1.00 0.00 C ATOM 83 CG ASN A 7 -16.646 -8.184 1.694 1.00 0.00 C ATOM 84 OD1 ASN A 7 -17.859 -8.653 1.589 1.00 0.00 O flip ATOM 85 ND2 ASN A 7 -16.457 -6.985 1.703 1.00 0.00 N flip ATOM 0 H ASN A 7 -17.264 -9.218 3.684 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.408 -10.197 3.408 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.590 -8.740 1.321 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.708 -10.090 1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.509 -6.619 1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -17.247 -6.344 1.628 1.00 0.00 H new ATOM 92 N GLU A 8 -15.138 -7.908 5.165 1.00 0.00 N ATOM 93 CA GLU A 8 -14.683 -6.688 5.893 1.00 0.00 C ATOM 94 C GLU A 8 -13.179 -6.769 6.171 1.00 0.00 C ATOM 95 O GLU A 8 -12.483 -5.772 6.170 1.00 0.00 O ATOM 96 CB GLU A 8 -15.471 -6.691 7.203 1.00 0.00 C ATOM 97 CG GLU A 8 -15.850 -5.258 7.575 1.00 0.00 C ATOM 98 CD GLU A 8 -17.339 -5.196 7.921 1.00 0.00 C ATOM 99 OE1 GLU A 8 -18.144 -5.361 7.019 1.00 0.00 O ATOM 100 OE2 GLU A 8 -17.649 -4.984 9.083 1.00 0.00 O ATOM 0 H GLU A 8 -15.814 -8.485 5.665 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.852 -5.777 5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.369 -7.300 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.874 -7.138 7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.254 -4.922 8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.630 -4.586 6.746 1.00 0.00 H new ATOM 107 N LYS A 9 -12.672 -7.947 6.412 1.00 0.00 N ATOM 108 CA LYS A 9 -11.215 -8.090 6.691 1.00 0.00 C ATOM 109 C LYS A 9 -10.392 -7.576 5.506 1.00 0.00 C ATOM 110 O LYS A 9 -9.420 -6.867 5.675 1.00 0.00 O ATOM 111 CB LYS A 9 -10.994 -9.590 6.889 1.00 0.00 C ATOM 112 CG LYS A 9 -10.056 -9.815 8.077 1.00 0.00 C ATOM 113 CD LYS A 9 -9.145 -11.010 7.788 1.00 0.00 C ATOM 114 CE LYS A 9 -9.504 -12.165 8.726 1.00 0.00 C ATOM 115 NZ LYS A 9 -9.226 -13.400 7.942 1.00 0.00 N ATOM 0 H LYS A 9 -13.204 -8.817 6.428 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.905 -7.514 7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.947 -10.089 7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.567 -10.028 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.457 -8.922 8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.635 -9.996 8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.256 -11.323 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.101 -10.727 7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.907 -12.133 9.637 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.550 -12.117 9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.448 -14.236 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.814 -13.406 7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.221 -13.422 7.674 1.00 0.00 H new ATOM 129 N MET A 10 -10.773 -7.929 4.308 1.00 0.00 N ATOM 130 CA MET A 10 -10.009 -7.459 3.116 1.00 0.00 C ATOM 131 C MET A 10 -10.205 -5.955 2.923 1.00 0.00 C ATOM 132 O MET A 10 -9.281 -5.234 2.599 1.00 0.00 O ATOM 133 CB MET A 10 -10.595 -8.236 1.936 1.00 0.00 C ATOM 134 CG MET A 10 -9.826 -9.546 1.754 1.00 0.00 C ATOM 135 SD MET A 10 -8.115 -9.181 1.287 1.00 0.00 S ATOM 136 CE MET A 10 -8.264 -9.609 -0.465 1.00 0.00 C ATOM 0 H MET A 10 -11.578 -8.521 4.103 1.00 0.00 H new ATOM 0 HA MET A 10 -8.937 -7.627 3.219 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.651 -8.443 2.112 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.535 -7.637 1.027 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.847 -10.124 2.678 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.302 -10.156 0.986 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.305 -9.456 -0.960 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.559 -10.654 -0.560 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.018 -8.975 -0.932 1.00 0.00 H new ATOM 146 N ALA A 11 -11.399 -5.478 3.125 1.00 0.00 N ATOM 147 CA ALA A 11 -11.657 -4.019 2.962 1.00 0.00 C ATOM 148 C ALA A 11 -10.758 -3.230 3.914 1.00 0.00 C ATOM 149 O ALA A 11 -10.044 -2.333 3.513 1.00 0.00 O ATOM 150 CB ALA A 11 -13.129 -3.833 3.330 1.00 0.00 C ATOM 0 H ALA A 11 -12.210 -6.034 3.396 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.448 -3.665 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.398 -2.781 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.750 -4.428 2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.291 -4.157 4.358 1.00 0.00 H new ATOM 156 N ALA A 12 -10.780 -3.569 5.173 1.00 0.00 N ATOM 157 CA ALA A 12 -9.920 -2.851 6.156 1.00 0.00 C ATOM 158 C ALA A 12 -8.447 -3.045 5.787 1.00 0.00 C ATOM 159 O ALA A 12 -7.621 -2.183 6.010 1.00 0.00 O ATOM 160 CB ALA A 12 -10.228 -3.502 7.504 1.00 0.00 C ATOM 0 H ALA A 12 -11.357 -4.313 5.565 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.111 -1.778 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.631 -3.026 8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.287 -3.381 7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.986 -4.564 7.459 1.00 0.00 H new ATOM 166 N LEU A 13 -8.116 -4.177 5.226 1.00 0.00 N ATOM 167 CA LEU A 13 -6.698 -4.435 4.843 1.00 0.00 C ATOM 168 C LEU A 13 -6.217 -3.378 3.846 1.00 0.00 C ATOM 169 O LEU A 13 -5.061 -3.003 3.836 1.00 0.00 O ATOM 170 CB LEU A 13 -6.711 -5.818 4.191 1.00 0.00 C ATOM 171 CG LEU A 13 -5.275 -6.298 3.981 1.00 0.00 C ATOM 172 CD1 LEU A 13 -5.168 -7.774 4.370 1.00 0.00 C ATOM 173 CD2 LEU A 13 -4.894 -6.129 2.510 1.00 0.00 C ATOM 0 H LEU A 13 -8.766 -4.934 5.016 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.025 -4.392 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.253 -6.523 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.235 -5.776 3.236 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.600 -5.710 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.144 -8.116 4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.441 -7.895 5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.842 -8.364 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.870 -6.471 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.569 -6.718 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.971 -5.078 2.233 1.00 0.00 H new ATOM 185 N GLU A 14 -7.092 -2.889 3.010 1.00 0.00 N ATOM 186 CA GLU A 14 -6.672 -1.852 2.023 1.00 0.00 C ATOM 187 C GLU A 14 -6.315 -0.557 2.753 1.00 0.00 C ATOM 188 O GLU A 14 -5.300 0.059 2.493 1.00 0.00 O ATOM 189 CB GLU A 14 -7.887 -1.637 1.119 1.00 0.00 C ATOM 190 CG GLU A 14 -8.461 -2.991 0.700 1.00 0.00 C ATOM 191 CD GLU A 14 -7.326 -3.922 0.270 1.00 0.00 C ATOM 192 OE1 GLU A 14 -6.776 -4.591 1.129 1.00 0.00 O ATOM 193 OE2 GLU A 14 -7.027 -3.951 -0.912 1.00 0.00 O ATOM 0 H GLU A 14 -8.074 -3.160 2.967 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.795 -2.157 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.645 -1.056 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.600 -1.064 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.014 -3.434 1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.167 -2.859 -0.120 1.00 0.00 H new ATOM 200 N ALA A 15 -7.142 -0.144 3.673 1.00 0.00 N ATOM 201 CA ALA A 15 -6.853 1.105 4.430 1.00 0.00 C ATOM 202 C ALA A 15 -5.521 0.965 5.170 1.00 0.00 C ATOM 203 O ALA A 15 -4.707 1.867 5.184 1.00 0.00 O ATOM 204 CB ALA A 15 -8.010 1.237 5.417 1.00 0.00 C ATOM 0 H ALA A 15 -8.007 -0.619 3.933 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.768 1.980 3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.875 2.136 6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.950 1.305 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.033 0.364 6.070 1.00 0.00 H new ATOM 210 N LYS A 16 -5.291 -0.166 5.778 1.00 0.00 N ATOM 211 CA LYS A 16 -4.009 -0.376 6.510 1.00 0.00 C ATOM 212 C LYS A 16 -2.831 -0.250 5.542 1.00 0.00 C ATOM 213 O LYS A 16 -1.801 0.304 5.868 1.00 0.00 O ATOM 214 CB LYS A 16 -4.099 -1.796 7.068 1.00 0.00 C ATOM 215 CG LYS A 16 -4.347 -1.737 8.577 1.00 0.00 C ATOM 216 CD LYS A 16 -5.736 -2.297 8.889 1.00 0.00 C ATOM 217 CE LYS A 16 -6.304 -1.595 10.125 1.00 0.00 C ATOM 218 NZ LYS A 16 -5.335 -1.892 11.215 1.00 0.00 N ATOM 0 H LYS A 16 -5.936 -0.956 5.800 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.854 0.359 7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.906 -2.340 6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.176 -2.338 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.585 -2.311 9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.271 -0.708 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.399 -2.149 8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.676 -3.371 9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.397 -0.521 9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.299 -1.968 10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.805 -1.785 12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.988 -2.867 11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.533 -1.232 11.156 1.00 0.00 H new ATOM 232 N ILE A 17 -2.978 -0.764 4.351 1.00 0.00 N ATOM 233 CA ILE A 17 -1.871 -0.680 3.357 1.00 0.00 C ATOM 234 C ILE A 17 -1.554 0.786 3.048 1.00 0.00 C ATOM 235 O ILE A 17 -0.409 1.188 3.004 1.00 0.00 O ATOM 236 CB ILE A 17 -2.409 -1.392 2.115 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.262 -2.904 2.299 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.620 -0.952 0.879 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.017 -3.632 1.184 1.00 0.00 C ATOM 0 H ILE A 17 -3.819 -1.239 4.023 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.948 -1.133 3.718 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.460 -1.136 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.208 -3.182 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.653 -3.202 3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.009 -1.463 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.721 0.125 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.568 -1.204 1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.912 -4.709 1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.073 -3.363 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.605 -3.343 0.217 1.00 0.00 H new ATOM 251 N CYS A 18 -2.561 1.589 2.836 1.00 0.00 N ATOM 252 CA CYS A 18 -2.312 3.027 2.537 1.00 0.00 C ATOM 253 C CYS A 18 -1.669 3.706 3.748 1.00 0.00 C ATOM 254 O CYS A 18 -0.759 4.500 3.619 1.00 0.00 O ATOM 255 CB CYS A 18 -3.693 3.620 2.257 1.00 0.00 C ATOM 256 SG CYS A 18 -4.570 2.575 1.068 1.00 0.00 S ATOM 0 H CYS A 18 -3.542 1.312 2.857 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.635 3.166 1.694 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.263 3.693 3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.593 4.632 1.864 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.094 1.559 1.687 1.00 0.00 H new ATOM 262 N HIS A 19 -2.135 3.392 4.926 1.00 0.00 N ATOM 263 CA HIS A 19 -1.555 4.009 6.152 1.00 0.00 C ATOM 264 C HIS A 19 -0.085 3.613 6.297 1.00 0.00 C ATOM 265 O HIS A 19 0.734 4.392 6.743 1.00 0.00 O ATOM 266 CB HIS A 19 -2.382 3.450 7.311 1.00 0.00 C ATOM 267 CG HIS A 19 -3.394 4.474 7.745 1.00 0.00 C ATOM 268 ND1 HIS A 19 -4.321 5.015 6.867 1.00 0.00 N ATOM 269 CD2 HIS A 19 -3.638 5.067 8.959 1.00 0.00 C ATOM 270 CE1 HIS A 19 -5.072 5.891 7.559 1.00 0.00 C ATOM 271 NE2 HIS A 19 -4.698 5.961 8.841 1.00 0.00 N ATOM 0 H HIS A 19 -2.895 2.732 5.092 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.588 5.098 6.121 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.885 2.533 7.004 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.730 3.191 8.145 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.090 4.869 9.868 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.879 6.468 7.131 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.102 6.544 9.574 1.00 0.00 H new ATOM 279 N GLN A 20 0.260 2.409 5.927 1.00 0.00 N ATOM 280 CA GLN A 20 1.682 1.983 6.053 1.00 0.00 C ATOM 281 C GLN A 20 2.555 2.864 5.158 1.00 0.00 C ATOM 282 O GLN A 20 3.548 3.412 5.595 1.00 0.00 O ATOM 283 CB GLN A 20 1.709 0.531 5.574 1.00 0.00 C ATOM 284 CG GLN A 20 2.061 -0.387 6.746 1.00 0.00 C ATOM 285 CD GLN A 20 1.205 -0.019 7.960 1.00 0.00 C ATOM 286 OE1 GLN A 20 1.723 0.375 8.986 1.00 0.00 O ATOM 287 NE2 GLN A 20 -0.092 -0.131 7.886 1.00 0.00 N ATOM 0 H GLN A 20 -0.376 1.708 5.546 1.00 0.00 H new ATOM 0 HA GLN A 20 2.061 2.074 7.071 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.739 0.255 5.161 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.441 0.414 4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.891 -1.428 6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.119 -0.291 6.991 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.527 -0.462 7.025 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.672 0.112 8.689 1.00 0.00 H new ATOM 296 N ILE A 21 2.172 3.042 3.923 1.00 0.00 N ATOM 297 CA ILE A 21 2.973 3.921 3.028 1.00 0.00 C ATOM 298 C ILE A 21 3.051 5.300 3.669 1.00 0.00 C ATOM 299 O ILE A 21 4.053 5.984 3.598 1.00 0.00 O ATOM 300 CB ILE A 21 2.196 3.976 1.714 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.096 2.570 1.119 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.926 4.892 0.731 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.469 2.133 0.605 1.00 0.00 C ATOM 0 H ILE A 21 1.346 2.620 3.499 1.00 0.00 H new ATOM 0 HA ILE A 21 3.989 3.563 2.863 1.00 0.00 H new ATOM 0 HB ILE A 21 1.194 4.363 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.739 1.869 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.371 2.559 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.373 4.933 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.999 5.894 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.927 4.503 0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.397 1.131 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.808 2.828 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.181 2.128 1.430 1.00 0.00 H new ATOM 315 N GLU A 22 1.993 5.696 4.317 1.00 0.00 N ATOM 316 CA GLU A 22 1.978 7.013 5.001 1.00 0.00 C ATOM 317 C GLU A 22 3.008 7.017 6.135 1.00 0.00 C ATOM 318 O GLU A 22 3.611 8.022 6.436 1.00 0.00 O ATOM 319 CB GLU A 22 0.562 7.154 5.561 1.00 0.00 C ATOM 320 CG GLU A 22 -0.242 8.117 4.683 1.00 0.00 C ATOM 321 CD GLU A 22 -1.545 8.486 5.393 1.00 0.00 C ATOM 322 OE1 GLU A 22 -1.470 9.086 6.453 1.00 0.00 O ATOM 323 OE2 GLU A 22 -2.597 8.164 4.864 1.00 0.00 O ATOM 0 H GLU A 22 1.131 5.157 4.402 1.00 0.00 H new ATOM 0 HA GLU A 22 2.231 7.835 4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.074 6.180 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.600 7.525 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.342 9.015 4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.458 7.654 3.720 1.00 0.00 H new ATOM 330 N TYR A 23 3.196 5.900 6.784 1.00 0.00 N ATOM 331 CA TYR A 23 4.174 5.853 7.910 1.00 0.00 C ATOM 332 C TYR A 23 5.580 6.267 7.447 1.00 0.00 C ATOM 333 O TYR A 23 6.250 7.031 8.110 1.00 0.00 O ATOM 334 CB TYR A 23 4.168 4.397 8.379 1.00 0.00 C ATOM 335 CG TYR A 23 5.401 4.127 9.208 1.00 0.00 C ATOM 336 CD1 TYR A 23 5.507 4.653 10.501 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.438 3.349 8.682 1.00 0.00 C ATOM 338 CE1 TYR A 23 6.652 4.402 11.267 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.582 3.098 9.447 1.00 0.00 C ATOM 340 CZ TYR A 23 7.690 3.624 10.739 1.00 0.00 C ATOM 341 OH TYR A 23 8.818 3.376 11.494 1.00 0.00 O ATOM 0 H TYR A 23 2.718 5.021 6.585 1.00 0.00 H new ATOM 0 HA TYR A 23 3.902 6.545 8.707 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.272 4.197 8.966 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.142 3.727 7.519 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.706 5.252 10.908 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.355 2.942 7.685 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.735 4.808 12.264 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.382 2.498 9.040 1.00 0.00 H new ATOM 0 HH TYR A 23 9.440 2.820 10.980 1.00 0.00 H new ATOM 351 N TYR A 24 6.043 5.777 6.324 1.00 0.00 N ATOM 352 CA TYR A 24 7.416 6.174 5.868 1.00 0.00 C ATOM 353 C TYR A 24 7.402 7.573 5.248 1.00 0.00 C ATOM 354 O TYR A 24 8.378 8.294 5.299 1.00 0.00 O ATOM 355 CB TYR A 24 7.862 5.167 4.800 1.00 0.00 C ATOM 356 CG TYR A 24 7.152 3.852 4.961 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.687 2.859 5.789 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.966 3.622 4.266 1.00 0.00 C ATOM 359 CE1 TYR A 24 7.026 1.634 5.922 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.309 2.400 4.393 1.00 0.00 C ATOM 361 CZ TYR A 24 5.837 1.403 5.223 1.00 0.00 C ATOM 362 OH TYR A 24 5.183 0.193 5.350 1.00 0.00 O ATOM 0 H TYR A 24 5.544 5.132 5.712 1.00 0.00 H new ATOM 0 HA TYR A 24 8.094 6.181 6.721 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.661 5.572 3.808 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.939 5.013 4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.608 3.038 6.324 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.556 4.391 3.629 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.433 0.867 6.564 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.392 2.221 3.851 1.00 0.00 H new ATOM 0 HH TYR A 24 5.683 -0.386 5.962 1.00 0.00 H new ATOM 372 N PHE A 25 6.317 7.949 4.632 1.00 0.00 N ATOM 373 CA PHE A 25 6.274 9.295 3.977 1.00 0.00 C ATOM 374 C PHE A 25 5.380 10.273 4.743 1.00 0.00 C ATOM 375 O PHE A 25 5.548 11.472 4.643 1.00 0.00 O ATOM 376 CB PHE A 25 5.675 9.036 2.593 1.00 0.00 C ATOM 377 CG PHE A 25 6.699 8.378 1.700 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.021 7.027 1.876 1.00 0.00 C ATOM 379 CD2 PHE A 25 7.320 9.118 0.687 1.00 0.00 C ATOM 380 CE1 PHE A 25 7.965 6.417 1.042 1.00 0.00 C ATOM 381 CE2 PHE A 25 8.263 8.509 -0.149 1.00 0.00 C ATOM 382 CZ PHE A 25 8.586 7.158 0.029 1.00 0.00 C ATOM 0 H PHE A 25 5.465 7.394 4.551 1.00 0.00 H new ATOM 0 HA PHE A 25 7.266 9.745 3.942 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.795 8.398 2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.344 9.975 2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.541 6.455 2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.071 10.160 0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.214 5.375 1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.741 9.081 -0.931 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.314 6.688 -0.615 1.00 0.00 H new ATOM 392 N GLY A 26 4.420 9.778 5.480 1.00 0.00 N ATOM 393 CA GLY A 26 3.497 10.681 6.235 1.00 0.00 C ATOM 394 C GLY A 26 4.146 12.049 6.418 1.00 0.00 C ATOM 395 O GLY A 26 3.579 13.070 6.086 1.00 0.00 O ATOM 0 H GLY A 26 4.234 8.782 5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.555 10.785 5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.263 10.247 7.207 1.00 0.00 H new ATOM 399 N ASP A 27 5.339 12.065 6.934 1.00 0.00 N ATOM 400 CA ASP A 27 6.064 13.348 7.145 1.00 0.00 C ATOM 401 C ASP A 27 7.204 13.118 8.129 1.00 0.00 C ATOM 402 O ASP A 27 8.263 13.699 8.016 1.00 0.00 O ATOM 403 CB ASP A 27 5.037 14.318 7.735 1.00 0.00 C ATOM 404 CG ASP A 27 4.187 13.596 8.782 1.00 0.00 C ATOM 405 OD1 ASP A 27 4.649 13.466 9.903 1.00 0.00 O ATOM 406 OD2 ASP A 27 3.087 13.188 8.445 1.00 0.00 O ATOM 0 H ASP A 27 5.852 11.232 7.223 1.00 0.00 H new ATOM 0 HA ASP A 27 6.489 13.742 6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.545 15.169 8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.399 14.713 6.944 1.00 0.00 H new ATOM 411 N PHE A 28 6.988 12.279 9.102 1.00 0.00 N ATOM 412 CA PHE A 28 8.056 12.011 10.103 1.00 0.00 C ATOM 413 C PHE A 28 9.083 10.999 9.584 1.00 0.00 C ATOM 414 O PHE A 28 10.252 11.089 9.903 1.00 0.00 O ATOM 415 CB PHE A 28 7.340 11.477 11.350 1.00 0.00 C ATOM 416 CG PHE A 28 6.326 10.426 10.969 1.00 0.00 C ATOM 417 CD1 PHE A 28 6.738 9.115 10.711 1.00 0.00 C ATOM 418 CD2 PHE A 28 4.969 10.764 10.885 1.00 0.00 C ATOM 419 CE1 PHE A 28 5.795 8.140 10.370 1.00 0.00 C ATOM 420 CE2 PHE A 28 4.026 9.789 10.543 1.00 0.00 C ATOM 421 CZ PHE A 28 4.438 8.476 10.286 1.00 0.00 C ATOM 0 H PHE A 28 6.118 11.767 9.247 1.00 0.00 H new ATOM 0 HA PHE A 28 8.619 12.918 10.320 1.00 0.00 H new ATOM 0 HB2 PHE A 28 8.069 11.054 12.041 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.845 12.296 11.871 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.784 8.855 10.775 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.651 11.777 11.084 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.113 7.127 10.171 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.980 10.049 10.477 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.710 7.723 10.023 1.00 0.00 H new ATOM 431 N ASN A 29 8.676 10.018 8.822 1.00 0.00 N ATOM 432 CA ASN A 29 9.667 9.008 8.351 1.00 0.00 C ATOM 433 C ASN A 29 10.578 9.560 7.249 1.00 0.00 C ATOM 434 O ASN A 29 11.750 9.262 7.207 1.00 0.00 O ATOM 435 CB ASN A 29 8.827 7.858 7.809 1.00 0.00 C ATOM 436 CG ASN A 29 8.707 6.765 8.873 1.00 0.00 C ATOM 437 OD1 ASN A 29 8.198 7.002 9.951 1.00 0.00 O ATOM 438 ND2 ASN A 29 9.159 5.569 8.616 1.00 0.00 N ATOM 0 H ASN A 29 7.716 9.874 8.510 1.00 0.00 H new ATOM 0 HA ASN A 29 10.331 8.706 9.161 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.837 8.218 7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.286 7.453 6.907 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.085 4.834 9.319 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.586 5.369 7.712 1.00 0.00 H new ATOM 445 N LEU A 30 10.055 10.336 6.344 1.00 0.00 N ATOM 446 CA LEU A 30 10.909 10.861 5.234 1.00 0.00 C ATOM 447 C LEU A 30 12.101 11.670 5.768 1.00 0.00 C ATOM 448 O LEU A 30 13.218 11.480 5.328 1.00 0.00 O ATOM 449 CB LEU A 30 9.976 11.755 4.416 1.00 0.00 C ATOM 450 CG LEU A 30 9.937 11.268 2.965 1.00 0.00 C ATOM 451 CD1 LEU A 30 9.770 9.748 2.934 1.00 0.00 C ATOM 452 CD2 LEU A 30 8.757 11.921 2.242 1.00 0.00 C ATOM 0 H LEU A 30 9.079 10.631 6.320 1.00 0.00 H new ATOM 0 HA LEU A 30 11.340 10.052 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.973 11.738 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.321 12.788 4.454 1.00 0.00 H new ATOM 0 HG LEU A 30 10.869 11.539 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.743 9.406 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.608 9.279 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.840 9.474 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.727 11.576 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.828 11.649 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.874 13.005 2.259 1.00 0.00 H new ATOM 464 N PRO A 31 11.827 12.554 6.683 1.00 0.00 N ATOM 465 CA PRO A 31 12.895 13.410 7.263 1.00 0.00 C ATOM 466 C PRO A 31 13.991 12.572 7.934 1.00 0.00 C ATOM 467 O PRO A 31 15.119 13.007 8.059 1.00 0.00 O ATOM 468 CB PRO A 31 12.168 14.262 8.303 1.00 0.00 C ATOM 469 CG PRO A 31 10.712 14.145 7.981 1.00 0.00 C ATOM 470 CD PRO A 31 10.515 12.840 7.258 1.00 0.00 C ATOM 0 HA PRO A 31 13.399 14.003 6.499 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.375 13.907 9.313 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.496 15.300 8.256 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.114 14.173 8.892 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.388 14.980 7.361 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.197 12.050 7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.750 12.923 6.486 1.00 0.00 H new ATOM 478 N ARG A 32 13.679 11.386 8.380 1.00 0.00 N ATOM 479 CA ARG A 32 14.724 10.555 9.053 1.00 0.00 C ATOM 480 C ARG A 32 14.878 9.197 8.363 1.00 0.00 C ATOM 481 O ARG A 32 15.781 8.440 8.663 1.00 0.00 O ATOM 482 CB ARG A 32 14.217 10.372 10.484 1.00 0.00 C ATOM 483 CG ARG A 32 15.054 11.228 11.436 1.00 0.00 C ATOM 484 CD ARG A 32 16.300 10.447 11.864 1.00 0.00 C ATOM 485 NE ARG A 32 15.782 9.320 12.690 1.00 0.00 N ATOM 486 CZ ARG A 32 16.602 8.608 13.413 1.00 0.00 C ATOM 487 NH1 ARG A 32 17.878 8.884 13.416 1.00 0.00 N ATOM 488 NH2 ARG A 32 16.147 7.621 14.135 1.00 0.00 N ATOM 0 H ARG A 32 12.756 10.957 8.310 1.00 0.00 H new ATOM 0 HA ARG A 32 15.704 11.030 9.016 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.167 10.658 10.548 1.00 0.00 H new ATOM 0 HB3 ARG A 32 14.279 9.323 10.772 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.345 12.157 10.946 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.464 11.500 12.311 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.853 10.081 10.999 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.983 11.075 12.436 1.00 0.00 H new ATOM 0 HE ARG A 32 14.785 9.105 12.690 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.234 9.656 12.853 1.00 0.00 H new ATOM 0 HH12 ARG A 32 18.519 8.327 13.981 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.150 7.406 14.134 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.788 7.065 14.700 1.00 0.00 H new ATOM 502 N ASP A 33 13.997 8.867 7.463 1.00 0.00 N ATOM 503 CA ASP A 33 14.088 7.542 6.782 1.00 0.00 C ATOM 504 C ASP A 33 15.403 7.416 6.010 1.00 0.00 C ATOM 505 O ASP A 33 15.589 8.020 4.973 1.00 0.00 O ATOM 506 CB ASP A 33 12.904 7.513 5.816 1.00 0.00 C ATOM 507 CG ASP A 33 11.709 6.837 6.493 1.00 0.00 C ATOM 508 OD1 ASP A 33 11.682 6.809 7.712 1.00 0.00 O ATOM 509 OD2 ASP A 33 10.842 6.360 5.780 1.00 0.00 O ATOM 0 H ASP A 33 13.217 9.455 7.168 1.00 0.00 H new ATOM 0 HA ASP A 33 14.063 6.718 7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.640 8.527 5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.175 6.973 4.908 1.00 0.00 H new ATOM 514 N LYS A 34 16.310 6.621 6.511 1.00 0.00 N ATOM 515 CA LYS A 34 17.618 6.432 5.808 1.00 0.00 C ATOM 516 C LYS A 34 17.420 5.564 4.569 1.00 0.00 C ATOM 517 O LYS A 34 17.914 5.852 3.498 1.00 0.00 O ATOM 518 CB LYS A 34 18.544 5.709 6.795 1.00 0.00 C ATOM 519 CG LYS A 34 17.744 5.099 7.950 1.00 0.00 C ATOM 520 CD LYS A 34 18.665 4.221 8.800 1.00 0.00 C ATOM 521 CE LYS A 34 17.959 2.903 9.122 1.00 0.00 C ATOM 522 NZ LYS A 34 19.053 1.896 9.222 1.00 0.00 N ATOM 0 H LYS A 34 16.204 6.093 7.377 1.00 0.00 H new ATOM 0 HA LYS A 34 18.037 7.388 5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 34 19.095 4.925 6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.281 6.409 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.309 5.889 8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.916 4.506 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.595 4.027 8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.930 4.739 9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.399 2.972 10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.246 2.636 8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.648 0.964 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.564 1.847 8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.712 2.173 9.977 1.00 0.00 H new ATOM 536 N PHE A 35 16.706 4.493 4.720 1.00 0.00 N ATOM 537 CA PHE A 35 16.465 3.582 3.565 1.00 0.00 C ATOM 538 C PHE A 35 15.576 4.268 2.522 1.00 0.00 C ATOM 539 O PHE A 35 15.697 4.027 1.337 1.00 0.00 O ATOM 540 CB PHE A 35 15.753 2.367 4.160 1.00 0.00 C ATOM 541 CG PHE A 35 14.410 2.788 4.711 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.334 3.006 3.842 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.242 2.958 6.089 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.090 3.396 4.353 1.00 0.00 C ATOM 545 CE2 PHE A 35 12.998 3.348 6.600 1.00 0.00 C ATOM 546 CZ PHE A 35 11.922 3.566 5.731 1.00 0.00 C ATOM 0 H PHE A 35 16.274 4.203 5.597 1.00 0.00 H new ATOM 0 HA PHE A 35 17.390 3.306 3.059 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.620 1.600 3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.361 1.928 4.951 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.463 2.873 2.778 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.072 2.788 6.759 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.260 3.566 3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.869 3.481 7.664 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.962 3.866 6.125 1.00 0.00 H new ATOM 556 N LEU A 36 14.680 5.117 2.951 1.00 0.00 N ATOM 557 CA LEU A 36 13.785 5.808 1.978 1.00 0.00 C ATOM 558 C LEU A 36 14.544 6.914 1.237 1.00 0.00 C ATOM 559 O LEU A 36 14.341 7.131 0.060 1.00 0.00 O ATOM 560 CB LEU A 36 12.659 6.402 2.822 1.00 0.00 C ATOM 561 CG LEU A 36 11.386 6.491 1.980 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.719 7.119 0.624 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.817 5.085 1.765 1.00 0.00 C ATOM 0 H LEU A 36 14.530 5.361 3.930 1.00 0.00 H new ATOM 0 HA LEU A 36 13.407 5.125 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.484 5.783 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.941 7.392 3.180 1.00 0.00 H new ATOM 0 HG LEU A 36 10.649 7.106 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.813 7.184 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.126 8.119 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.455 6.502 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.909 5.148 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.553 4.470 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.583 4.636 2.730 1.00 0.00 H new ATOM 575 N LYS A 37 15.429 7.605 1.907 1.00 0.00 N ATOM 576 CA LYS A 37 16.201 8.681 1.216 1.00 0.00 C ATOM 577 C LYS A 37 17.109 8.047 0.166 1.00 0.00 C ATOM 578 O LYS A 37 17.305 8.573 -0.912 1.00 0.00 O ATOM 579 CB LYS A 37 17.036 9.359 2.303 1.00 0.00 C ATOM 580 CG LYS A 37 17.807 8.309 3.104 1.00 0.00 C ATOM 581 CD LYS A 37 18.802 9.006 4.034 1.00 0.00 C ATOM 582 CE LYS A 37 20.019 8.104 4.248 1.00 0.00 C ATOM 583 NZ LYS A 37 21.031 8.583 3.265 1.00 0.00 N ATOM 0 H LYS A 37 15.650 7.473 2.894 1.00 0.00 H new ATOM 0 HA LYS A 37 15.554 9.399 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.732 10.066 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.388 9.931 2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.115 7.699 3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.335 7.636 2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 37 19.113 9.958 3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.328 9.228 4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.393 8.181 5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 37 19.769 7.057 4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 21.896 8.012 3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.650 8.491 2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 21.255 9.581 3.455 1.00 0.00 H new ATOM 597 N GLU A 38 17.644 6.904 0.477 1.00 0.00 N ATOM 598 CA GLU A 38 18.525 6.201 -0.494 1.00 0.00 C ATOM 599 C GLU A 38 17.723 5.885 -1.758 1.00 0.00 C ATOM 600 O GLU A 38 18.147 6.158 -2.863 1.00 0.00 O ATOM 601 CB GLU A 38 18.951 4.913 0.212 1.00 0.00 C ATOM 602 CG GLU A 38 20.357 4.520 -0.246 1.00 0.00 C ATOM 603 CD GLU A 38 21.366 4.858 0.854 1.00 0.00 C ATOM 604 OE1 GLU A 38 21.541 6.034 1.129 1.00 0.00 O ATOM 605 OE2 GLU A 38 21.946 3.935 1.403 1.00 0.00 O ATOM 0 H GLU A 38 17.509 6.423 1.366 1.00 0.00 H new ATOM 0 HA GLU A 38 19.389 6.795 -0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.936 5.056 1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.247 4.112 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.393 3.454 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.613 5.049 -1.164 1.00 0.00 H new ATOM 612 N GLN A 39 16.556 5.322 -1.597 1.00 0.00 N ATOM 613 CA GLN A 39 15.709 4.998 -2.780 1.00 0.00 C ATOM 614 C GLN A 39 15.143 6.286 -3.385 1.00 0.00 C ATOM 615 O GLN A 39 15.118 6.463 -4.587 1.00 0.00 O ATOM 616 CB GLN A 39 14.582 4.122 -2.232 1.00 0.00 C ATOM 617 CG GLN A 39 14.977 2.649 -2.348 1.00 0.00 C ATOM 618 CD GLN A 39 14.428 2.072 -3.654 1.00 0.00 C ATOM 619 OE1 GLN A 39 13.443 2.555 -4.177 1.00 0.00 O ATOM 620 NE2 GLN A 39 15.026 1.053 -4.206 1.00 0.00 N ATOM 0 H GLN A 39 16.152 5.072 -0.694 1.00 0.00 H new ATOM 0 HA GLN A 39 16.269 4.493 -3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 39 14.384 4.375 -1.190 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.661 4.307 -2.786 1.00 0.00 H new ATOM 0 HG2 GLN A 39 16.062 2.550 -2.323 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.586 2.089 -1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 39 15.853 0.648 -3.767 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.667 0.661 -5.077 1.00 0.00 H new ATOM 629 N ILE A 40 14.684 7.186 -2.557 1.00 0.00 N ATOM 630 CA ILE A 40 14.115 8.463 -3.075 1.00 0.00 C ATOM 631 C ILE A 40 15.123 9.154 -4.002 1.00 0.00 C ATOM 632 O ILE A 40 14.764 9.709 -5.021 1.00 0.00 O ATOM 633 CB ILE A 40 13.843 9.306 -1.823 1.00 0.00 C ATOM 634 CG1 ILE A 40 12.354 9.232 -1.481 1.00 0.00 C ATOM 635 CG2 ILE A 40 14.227 10.765 -2.074 1.00 0.00 C ATOM 636 CD1 ILE A 40 12.094 9.969 -0.166 1.00 0.00 C ATOM 0 H ILE A 40 14.679 7.091 -1.541 1.00 0.00 H new ATOM 0 HA ILE A 40 13.210 8.312 -3.663 1.00 0.00 H new ATOM 0 HB ILE A 40 14.438 8.917 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.764 9.677 -2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.041 8.191 -1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.029 11.353 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.287 10.825 -2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.639 11.159 -2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.033 9.916 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.673 9.504 0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.391 11.013 -0.269 1.00 0.00 H new ATOM 648 N LYS A 41 16.379 9.125 -3.657 1.00 0.00 N ATOM 649 CA LYS A 41 17.402 9.779 -4.524 1.00 0.00 C ATOM 650 C LYS A 41 17.955 8.778 -5.542 1.00 0.00 C ATOM 651 O LYS A 41 18.374 9.144 -6.622 1.00 0.00 O ATOM 652 CB LYS A 41 18.502 10.235 -3.564 1.00 0.00 C ATOM 653 CG LYS A 41 19.197 9.012 -2.964 1.00 0.00 C ATOM 654 CD LYS A 41 20.303 8.538 -3.909 1.00 0.00 C ATOM 655 CE LYS A 41 21.665 8.732 -3.239 1.00 0.00 C ATOM 656 NZ LYS A 41 21.830 10.207 -3.124 1.00 0.00 N ATOM 0 H LYS A 41 16.743 8.679 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 41 16.988 10.611 -5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 41 19.226 10.855 -4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.075 10.849 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.618 9.261 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.474 8.212 -2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.156 7.488 -4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.262 9.098 -4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.695 8.254 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.464 8.290 -3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.840 10.437 -3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.444 10.667 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.321 10.549 -2.284 1.00 0.00 H new ATOM 670 N LEU A 42 17.968 7.517 -5.200 1.00 0.00 N ATOM 671 CA LEU A 42 18.503 6.484 -6.137 1.00 0.00 C ATOM 672 C LEU A 42 18.146 6.823 -7.589 1.00 0.00 C ATOM 673 O LEU A 42 18.971 7.301 -8.342 1.00 0.00 O ATOM 674 CB LEU A 42 17.829 5.179 -5.711 1.00 0.00 C ATOM 675 CG LEU A 42 18.371 4.025 -6.556 1.00 0.00 C ATOM 676 CD1 LEU A 42 19.584 3.408 -5.859 1.00 0.00 C ATOM 677 CD2 LEU A 42 17.283 2.961 -6.722 1.00 0.00 C ATOM 0 H LEU A 42 17.630 7.156 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 42 19.590 6.421 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 42 18.016 4.989 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.749 5.258 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 42 18.667 4.400 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.970 2.586 -6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 42 20.359 4.165 -5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 42 19.289 3.033 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 42 17.668 2.138 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.988 2.587 -5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 42 16.418 3.400 -7.218 1.00 0.00 H new ATOM 689 N ASP A 43 16.931 6.571 -7.993 1.00 0.00 N ATOM 690 CA ASP A 43 16.541 6.872 -9.402 1.00 0.00 C ATOM 691 C ASP A 43 15.183 7.575 -9.454 1.00 0.00 C ATOM 692 O ASP A 43 14.146 6.943 -9.467 1.00 0.00 O ATOM 693 CB ASP A 43 16.462 5.507 -10.087 1.00 0.00 C ATOM 694 CG ASP A 43 17.693 5.308 -10.974 1.00 0.00 C ATOM 695 OD1 ASP A 43 18.780 5.642 -10.529 1.00 0.00 O ATOM 696 OD2 ASP A 43 17.530 4.826 -12.082 1.00 0.00 O ATOM 0 H ASP A 43 16.194 6.172 -7.412 1.00 0.00 H new ATOM 0 HA ASP A 43 17.253 7.539 -9.888 1.00 0.00 H new ATOM 0 HB2 ASP A 43 16.408 4.716 -9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.554 5.441 -10.687 1.00 0.00 H new ATOM 701 N GLU A 44 15.185 8.880 -9.493 1.00 0.00 N ATOM 702 CA GLU A 44 13.899 9.643 -9.555 1.00 0.00 C ATOM 703 C GLU A 44 13.165 9.606 -8.211 1.00 0.00 C ATOM 704 O GLU A 44 12.397 10.493 -7.896 1.00 0.00 O ATOM 705 CB GLU A 44 13.062 8.955 -10.637 1.00 0.00 C ATOM 706 CG GLU A 44 13.944 8.587 -11.834 1.00 0.00 C ATOM 707 CD GLU A 44 15.013 9.662 -12.043 1.00 0.00 C ATOM 708 OE1 GLU A 44 14.656 10.749 -12.469 1.00 0.00 O ATOM 709 OE2 GLU A 44 16.169 9.381 -11.775 1.00 0.00 O ATOM 0 H GLU A 44 16.026 9.457 -9.485 1.00 0.00 H new ATOM 0 HA GLU A 44 14.077 10.694 -9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.595 8.058 -10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.257 9.615 -10.959 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.417 7.620 -11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.333 8.490 -12.731 1.00 0.00 H new ATOM 716 N GLY A 45 13.379 8.594 -7.419 1.00 0.00 N ATOM 717 CA GLY A 45 12.676 8.516 -6.108 1.00 0.00 C ATOM 718 C GLY A 45 11.618 7.417 -6.167 1.00 0.00 C ATOM 719 O GLY A 45 11.099 6.982 -5.157 1.00 0.00 O ATOM 0 H GLY A 45 14.009 7.818 -7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.390 8.307 -5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.210 9.473 -5.875 1.00 0.00 H new ATOM 723 N TRP A 46 11.294 6.964 -7.346 1.00 0.00 N ATOM 724 CA TRP A 46 10.267 5.891 -7.480 1.00 0.00 C ATOM 725 C TRP A 46 10.667 4.658 -6.668 1.00 0.00 C ATOM 726 O TRP A 46 11.682 4.039 -6.921 1.00 0.00 O ATOM 727 CB TRP A 46 10.243 5.555 -8.970 1.00 0.00 C ATOM 728 CG TRP A 46 9.636 6.689 -9.725 1.00 0.00 C ATOM 729 CD1 TRP A 46 10.244 7.368 -10.723 1.00 0.00 C ATOM 730 CD2 TRP A 46 8.317 7.288 -9.563 1.00 0.00 C ATOM 731 NE1 TRP A 46 9.386 8.347 -11.187 1.00 0.00 N ATOM 732 CE2 TRP A 46 8.184 8.338 -10.504 1.00 0.00 C ATOM 733 CE3 TRP A 46 7.234 7.026 -8.702 1.00 0.00 C ATOM 734 CZ2 TRP A 46 7.019 9.101 -10.587 1.00 0.00 C ATOM 735 CZ3 TRP A 46 6.061 7.793 -8.783 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.954 8.827 -9.724 1.00 0.00 C ATOM 0 H TRP A 46 11.696 7.291 -8.225 1.00 0.00 H new ATOM 0 HA TRP A 46 9.293 6.211 -7.110 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.255 5.366 -9.328 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.670 4.643 -9.139 1.00 0.00 H new ATOM 0 HD1 TRP A 46 11.239 7.177 -11.097 1.00 0.00 H new ATOM 0 HE1 TRP A 46 9.612 8.996 -11.941 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.306 6.230 -7.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 6.941 9.897 -11.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.237 7.586 -8.117 1.00 0.00 H new ATOM 0 HH2 TRP A 46 5.048 9.412 -9.782 1.00 0.00 H new ATOM 747 N VAL A 47 9.870 4.287 -5.708 1.00 0.00 N ATOM 748 CA VAL A 47 10.194 3.083 -4.896 1.00 0.00 C ATOM 749 C VAL A 47 9.209 1.964 -5.232 1.00 0.00 C ATOM 750 O VAL A 47 8.019 2.192 -5.314 1.00 0.00 O ATOM 751 CB VAL A 47 10.029 3.515 -3.438 1.00 0.00 C ATOM 752 CG1 VAL A 47 10.381 2.345 -2.514 1.00 0.00 C ATOM 753 CG2 VAL A 47 10.960 4.694 -3.146 1.00 0.00 C ATOM 0 H VAL A 47 9.007 4.766 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 47 11.200 2.710 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 47 8.996 3.816 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 47 10.263 2.654 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.717 1.506 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.414 2.042 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.842 5.002 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.993 4.394 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.708 5.527 -3.802 1.00 0.00 H new ATOM 763 N PRO A 48 9.735 0.788 -5.411 1.00 0.00 N ATOM 764 CA PRO A 48 8.902 -0.374 -5.733 1.00 0.00 C ATOM 765 C PRO A 48 8.428 -1.021 -4.437 1.00 0.00 C ATOM 766 O PRO A 48 9.165 -1.132 -3.477 1.00 0.00 O ATOM 767 CB PRO A 48 9.850 -1.293 -6.491 1.00 0.00 C ATOM 768 CG PRO A 48 11.234 -0.877 -6.087 1.00 0.00 C ATOM 769 CD PRO A 48 11.139 0.423 -5.325 1.00 0.00 C ATOM 0 HA PRO A 48 8.010 -0.136 -6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.667 -2.338 -6.239 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.711 -1.196 -7.568 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.695 -1.646 -5.468 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.865 -0.755 -6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.455 0.301 -4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.777 1.190 -5.765 1.00 0.00 H new ATOM 777 N LEU A 49 7.201 -1.425 -4.394 1.00 0.00 N ATOM 778 CA LEU A 49 6.662 -2.045 -3.147 1.00 0.00 C ATOM 779 C LEU A 49 7.532 -3.220 -2.690 1.00 0.00 C ATOM 780 O LEU A 49 7.271 -3.826 -1.672 1.00 0.00 O ATOM 781 CB LEU A 49 5.264 -2.542 -3.517 1.00 0.00 C ATOM 782 CG LEU A 49 4.513 -1.452 -4.280 1.00 0.00 C ATOM 783 CD1 LEU A 49 4.238 -1.928 -5.706 1.00 0.00 C ATOM 784 CD2 LEU A 49 3.186 -1.163 -3.576 1.00 0.00 C ATOM 0 H LEU A 49 6.538 -1.357 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 49 6.646 -1.330 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.338 -3.442 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.714 -2.813 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 49 5.116 -0.545 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.702 -1.151 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.182 -2.138 -6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.633 -2.834 -5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.648 -0.385 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.583 -2.071 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.380 -0.827 -2.558 1.00 0.00 H new ATOM 796 N GLU A 50 8.580 -3.534 -3.403 1.00 0.00 N ATOM 797 CA GLU A 50 9.451 -4.656 -2.955 1.00 0.00 C ATOM 798 C GLU A 50 9.970 -4.338 -1.559 1.00 0.00 C ATOM 799 O GLU A 50 9.995 -5.171 -0.675 1.00 0.00 O ATOM 800 CB GLU A 50 10.601 -4.713 -3.959 1.00 0.00 C ATOM 801 CG GLU A 50 11.447 -3.445 -3.860 1.00 0.00 C ATOM 802 CD GLU A 50 12.616 -3.538 -4.843 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.615 -4.454 -5.648 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.491 -2.691 -4.774 1.00 0.00 O ATOM 0 H GLU A 50 8.867 -3.069 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 50 8.926 -5.610 -2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.220 -5.589 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.207 -4.819 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.838 -2.569 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.821 -3.322 -2.843 1.00 0.00 H new ATOM 811 N ILE A 51 10.375 -3.120 -1.367 1.00 0.00 N ATOM 812 CA ILE A 51 10.892 -2.687 -0.041 1.00 0.00 C ATOM 813 C ILE A 51 9.754 -2.647 0.984 1.00 0.00 C ATOM 814 O ILE A 51 9.915 -3.038 2.122 1.00 0.00 O ATOM 815 CB ILE A 51 11.435 -1.279 -0.282 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.709 -1.362 -1.124 1.00 0.00 C ATOM 817 CG2 ILE A 51 11.756 -0.616 1.058 1.00 0.00 C ATOM 818 CD1 ILE A 51 13.072 0.032 -1.639 1.00 0.00 C ATOM 0 H ILE A 51 10.371 -2.393 -2.082 1.00 0.00 H new ATOM 0 HA ILE A 51 11.651 -3.364 0.351 1.00 0.00 H new ATOM 0 HB ILE A 51 10.686 -0.688 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 51 13.527 -1.765 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.560 -2.043 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.143 0.388 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.850 -0.556 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.504 -1.207 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.980 -0.027 -2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.257 0.417 -2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.238 0.700 -0.794 1.00 0.00 H new ATOM 830 N MET A 52 8.604 -2.174 0.585 1.00 0.00 N ATOM 831 CA MET A 52 7.456 -2.106 1.537 1.00 0.00 C ATOM 832 C MET A 52 6.810 -3.486 1.718 1.00 0.00 C ATOM 833 O MET A 52 6.485 -3.888 2.817 1.00 0.00 O ATOM 834 CB MET A 52 6.466 -1.137 0.890 1.00 0.00 C ATOM 835 CG MET A 52 6.485 0.192 1.648 1.00 0.00 C ATOM 836 SD MET A 52 8.127 0.941 1.513 1.00 0.00 S ATOM 837 CE MET A 52 7.830 2.340 2.621 1.00 0.00 C ATOM 0 H MET A 52 8.409 -1.832 -0.356 1.00 0.00 H new ATOM 0 HA MET A 52 7.771 -1.779 2.528 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.729 -0.976 -0.155 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.462 -1.562 0.904 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.732 0.866 1.240 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.233 0.029 2.696 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.699 2.997 2.618 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.955 2.894 2.281 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.656 1.973 3.632 1.00 0.00 H new ATOM 847 N ILE A 53 6.588 -4.199 0.646 1.00 0.00 N ATOM 848 CA ILE A 53 5.922 -5.532 0.765 1.00 0.00 C ATOM 849 C ILE A 53 6.768 -6.502 1.593 1.00 0.00 C ATOM 850 O ILE A 53 6.248 -7.425 2.187 1.00 0.00 O ATOM 851 CB ILE A 53 5.774 -6.046 -0.668 1.00 0.00 C ATOM 852 CG1 ILE A 53 7.157 -6.340 -1.251 1.00 0.00 C ATOM 853 CG2 ILE A 53 5.069 -4.990 -1.522 1.00 0.00 C ATOM 854 CD1 ILE A 53 7.273 -7.833 -1.559 1.00 0.00 C ATOM 0 H ILE A 53 6.837 -3.919 -0.303 1.00 0.00 H new ATOM 0 HA ILE A 53 4.961 -5.449 1.272 1.00 0.00 H new ATOM 0 HB ILE A 53 5.181 -6.961 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 53 7.312 -5.757 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.932 -6.042 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.964 -5.358 -2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.082 -4.786 -1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.658 -4.073 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.258 -8.043 -1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.136 -8.405 -0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.507 -8.116 -2.281 1.00 0.00 H new ATOM 866 N LYS A 54 8.058 -6.316 1.650 1.00 0.00 N ATOM 867 CA LYS A 54 8.895 -7.248 2.456 1.00 0.00 C ATOM 868 C LYS A 54 9.294 -6.584 3.776 1.00 0.00 C ATOM 869 O LYS A 54 9.825 -7.217 4.667 1.00 0.00 O ATOM 870 CB LYS A 54 10.129 -7.518 1.594 1.00 0.00 C ATOM 871 CG LYS A 54 10.398 -9.023 1.543 1.00 0.00 C ATOM 872 CD LYS A 54 11.900 -9.268 1.396 1.00 0.00 C ATOM 873 CE LYS A 54 12.610 -8.887 2.698 1.00 0.00 C ATOM 874 NZ LYS A 54 13.949 -8.391 2.274 1.00 0.00 N ATOM 0 H LYS A 54 8.565 -5.567 1.178 1.00 0.00 H new ATOM 0 HA LYS A 54 8.368 -8.168 2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.973 -7.132 0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.994 -6.997 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.028 -9.500 2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.862 -9.471 0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.087 -10.316 1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.296 -8.680 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.057 -8.119 3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.699 -9.745 3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.497 -8.110 3.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.454 -9.146 1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.832 -7.570 1.646 1.00 0.00 H new ATOM 888 N PHE A 55 9.037 -5.311 3.908 1.00 0.00 N ATOM 889 CA PHE A 55 9.397 -4.602 5.169 1.00 0.00 C ATOM 890 C PHE A 55 8.601 -5.179 6.343 1.00 0.00 C ATOM 891 O PHE A 55 7.422 -5.450 6.232 1.00 0.00 O ATOM 892 CB PHE A 55 9.012 -3.142 4.925 1.00 0.00 C ATOM 893 CG PHE A 55 10.240 -2.270 5.039 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.121 -2.439 6.113 1.00 0.00 C ATOM 895 CD2 PHE A 55 10.498 -1.293 4.068 1.00 0.00 C ATOM 896 CE1 PHE A 55 12.259 -1.630 6.219 1.00 0.00 C ATOM 897 CE2 PHE A 55 11.636 -0.485 4.174 1.00 0.00 C ATOM 898 CZ PHE A 55 12.517 -0.654 5.250 1.00 0.00 C ATOM 0 H PHE A 55 8.593 -4.731 3.196 1.00 0.00 H new ATOM 0 HA PHE A 55 10.453 -4.708 5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.566 -3.033 3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.261 -2.827 5.650 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.923 -3.193 6.860 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.819 -1.164 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 55 12.938 -1.759 7.049 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.835 0.269 3.426 1.00 0.00 H new ATOM 0 HZ PHE A 55 13.395 -0.031 5.332 1.00 0.00 H new ATOM 908 N ASN A 56 9.237 -5.368 7.467 1.00 0.00 N ATOM 909 CA ASN A 56 8.516 -5.926 8.646 1.00 0.00 C ATOM 910 C ASN A 56 7.350 -5.013 9.036 1.00 0.00 C ATOM 911 O ASN A 56 6.409 -5.432 9.681 1.00 0.00 O ATOM 912 CB ASN A 56 9.560 -5.971 9.762 1.00 0.00 C ATOM 913 CG ASN A 56 9.155 -7.020 10.800 1.00 0.00 C ATOM 914 OD1 ASN A 56 9.862 -7.984 11.016 1.00 0.00 O ATOM 915 ND2 ASN A 56 8.037 -6.872 11.457 1.00 0.00 N ATOM 0 H ASN A 56 10.224 -5.160 7.620 1.00 0.00 H new ATOM 0 HA ASN A 56 8.092 -6.910 8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.539 -6.213 9.349 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.646 -4.992 10.234 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.758 -7.565 12.151 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.443 -6.063 11.276 1.00 0.00 H new ATOM 922 N ARG A 57 7.404 -3.767 8.651 1.00 0.00 N ATOM 923 CA ARG A 57 6.299 -2.828 9.001 1.00 0.00 C ATOM 924 C ARG A 57 5.100 -3.048 8.076 1.00 0.00 C ATOM 925 O ARG A 57 3.968 -2.802 8.442 1.00 0.00 O ATOM 926 CB ARG A 57 6.886 -1.432 8.792 1.00 0.00 C ATOM 927 CG ARG A 57 6.640 -0.582 10.041 1.00 0.00 C ATOM 928 CD ARG A 57 5.430 0.327 9.810 1.00 0.00 C ATOM 929 NE ARG A 57 5.153 0.941 11.138 1.00 0.00 N ATOM 930 CZ ARG A 57 4.601 0.232 12.084 1.00 0.00 C ATOM 931 NH1 ARG A 57 4.288 -1.017 11.868 1.00 0.00 N ATOM 932 NH2 ARG A 57 4.359 0.772 13.247 1.00 0.00 N ATOM 0 H ARG A 57 8.165 -3.358 8.109 1.00 0.00 H new ATOM 0 HA ARG A 57 5.942 -2.974 10.021 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.955 -1.502 8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.429 -0.960 7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.465 -1.226 10.903 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.522 0.018 10.265 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.645 1.088 9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.572 -0.241 9.451 1.00 0.00 H new ATOM 0 HE ARG A 57 5.395 1.917 11.308 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.475 -1.440 10.959 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.857 -1.570 12.609 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.601 1.748 13.416 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.927 0.218 13.987 1.00 0.00 H new ATOM 946 N LEU A 58 5.337 -3.510 6.878 1.00 0.00 N ATOM 947 CA LEU A 58 4.208 -3.743 5.932 1.00 0.00 C ATOM 948 C LEU A 58 4.028 -5.241 5.677 1.00 0.00 C ATOM 949 O LEU A 58 2.923 -5.744 5.631 1.00 0.00 O ATOM 950 CB LEU A 58 4.617 -3.024 4.646 1.00 0.00 C ATOM 951 CG LEU A 58 3.592 -1.937 4.319 1.00 0.00 C ATOM 952 CD1 LEU A 58 3.967 -1.261 3.000 1.00 0.00 C ATOM 953 CD2 LEU A 58 2.204 -2.570 4.189 1.00 0.00 C ATOM 0 H LEU A 58 6.263 -3.736 6.514 1.00 0.00 H new ATOM 0 HA LEU A 58 3.259 -3.374 6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.606 -2.582 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.682 -3.736 3.824 1.00 0.00 H new ATOM 0 HG LEU A 58 3.582 -1.195 5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.236 -0.486 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.956 -0.812 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.977 -2.002 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.472 -1.797 3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.216 -3.311 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.935 -3.053 5.128 1.00 0.00 H new ATOM 965 N ASN A 59 5.105 -5.959 5.509 1.00 0.00 N ATOM 966 CA ASN A 59 4.993 -7.424 5.255 1.00 0.00 C ATOM 967 C ASN A 59 4.195 -8.099 6.374 1.00 0.00 C ATOM 968 O ASN A 59 3.644 -9.168 6.199 1.00 0.00 O ATOM 969 CB ASN A 59 6.434 -7.934 5.240 1.00 0.00 C ATOM 970 CG ASN A 59 6.438 -9.460 5.340 1.00 0.00 C ATOM 971 OD1 ASN A 59 6.042 -10.016 6.345 1.00 0.00 O ATOM 972 ND2 ASN A 59 6.872 -10.167 4.333 1.00 0.00 N ATOM 0 H ASN A 59 6.057 -5.595 5.537 1.00 0.00 H new ATOM 0 HA ASN A 59 4.473 -7.642 4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.933 -7.618 4.324 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.992 -7.503 6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.879 -11.185 4.390 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.205 -9.701 3.489 1.00 0.00 H new ATOM 979 N ARG A 60 4.129 -7.487 7.525 1.00 0.00 N ATOM 980 CA ARG A 60 3.366 -8.097 8.653 1.00 0.00 C ATOM 981 C ARG A 60 1.864 -8.056 8.362 1.00 0.00 C ATOM 982 O ARG A 60 1.064 -8.588 9.106 1.00 0.00 O ATOM 983 CB ARG A 60 3.699 -7.235 9.871 1.00 0.00 C ATOM 984 CG ARG A 60 3.146 -5.823 9.667 1.00 0.00 C ATOM 985 CD ARG A 60 2.769 -5.222 11.023 1.00 0.00 C ATOM 986 NE ARG A 60 1.387 -4.696 10.841 1.00 0.00 N ATOM 987 CZ ARG A 60 0.371 -5.515 10.843 1.00 0.00 C ATOM 988 NH1 ARG A 60 0.561 -6.796 11.002 1.00 0.00 N ATOM 989 NH2 ARG A 60 -0.840 -5.052 10.684 1.00 0.00 N ATOM 0 H ARG A 60 4.570 -6.591 7.734 1.00 0.00 H new ATOM 0 HA ARG A 60 3.630 -9.143 8.809 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.271 -7.678 10.770 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.778 -7.196 10.018 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.890 -5.197 9.174 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.273 -5.853 9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.804 -5.974 11.811 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.459 -4.428 11.308 1.00 0.00 H new ATOM 0 HE ARG A 60 1.235 -3.695 10.715 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.506 -7.160 11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.235 -7.433 11.003 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.991 -4.051 10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.635 -5.691 10.685 1.00 0.00 H new ATOM 1003 N LEU A 61 1.474 -7.430 7.285 1.00 0.00 N ATOM 1004 CA LEU A 61 0.022 -7.357 6.951 1.00 0.00 C ATOM 1005 C LEU A 61 -0.236 -7.959 5.567 1.00 0.00 C ATOM 1006 O LEU A 61 -0.850 -8.999 5.438 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.311 -5.865 6.956 1.00 0.00 C ATOM 1008 CG LEU A 61 -1.829 -5.681 6.914 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -2.300 -5.030 8.216 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -2.200 -4.782 5.733 1.00 0.00 C ATOM 0 H LEU A 61 2.096 -6.967 6.623 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.592 -7.915 7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.099 -5.393 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.149 -5.376 6.097 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.310 -6.652 6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.382 -4.899 8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.035 -5.668 9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.820 -4.058 8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.282 -4.650 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.719 -3.811 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.864 -5.244 4.805 1.00 0.00 H new ATOM 1022 N THR A 62 0.227 -7.312 4.533 1.00 0.00 N ATOM 1023 CA THR A 62 0.005 -7.847 3.160 1.00 0.00 C ATOM 1024 C THR A 62 1.261 -7.656 2.305 1.00 0.00 C ATOM 1025 O THR A 62 2.070 -6.786 2.560 1.00 0.00 O ATOM 1026 CB THR A 62 -1.157 -7.024 2.601 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.291 -7.184 3.442 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.494 -7.500 1.189 1.00 0.00 C ATOM 0 H THR A 62 0.749 -6.437 4.579 1.00 0.00 H new ATOM 0 HA THR A 62 -0.214 -8.915 3.162 1.00 0.00 H new ATOM 0 HB THR A 62 -0.874 -5.972 2.565 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.268 -8.071 3.857 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.322 -6.911 0.795 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.623 -7.377 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.778 -8.552 1.218 1.00 0.00 H new ATOM 1036 N THR A 63 1.431 -8.463 1.295 1.00 0.00 N ATOM 1037 CA THR A 63 2.636 -8.329 0.427 1.00 0.00 C ATOM 1038 C THR A 63 2.267 -8.580 -1.038 1.00 0.00 C ATOM 1039 O THR A 63 3.123 -8.767 -1.880 1.00 0.00 O ATOM 1040 CB THR A 63 3.604 -9.402 0.927 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.903 -10.625 1.104 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.211 -8.963 2.261 1.00 0.00 C ATOM 0 H THR A 63 0.788 -9.210 1.032 1.00 0.00 H new ATOM 0 HA THR A 63 3.071 -7.331 0.477 1.00 0.00 H new ATOM 0 HB THR A 63 4.401 -9.542 0.196 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.523 -11.314 1.423 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.901 -9.729 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.749 -8.025 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.416 -8.822 2.994 1.00 0.00 H new ATOM 1050 N ASP A 64 0.999 -8.586 -1.349 1.00 0.00 N ATOM 1051 CA ASP A 64 0.580 -8.824 -2.761 1.00 0.00 C ATOM 1052 C ASP A 64 0.657 -7.522 -3.561 1.00 0.00 C ATOM 1053 O ASP A 64 -0.221 -6.685 -3.486 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.865 -9.312 -2.666 1.00 0.00 C ATOM 1055 CG ASP A 64 -1.035 -10.575 -3.512 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.527 -11.609 -3.106 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -1.668 -10.489 -4.551 1.00 0.00 O ATOM 0 H ASP A 64 0.236 -8.437 -0.688 1.00 0.00 H new ATOM 0 HA ASP A 64 1.221 -9.545 -3.268 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.122 -9.520 -1.627 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.546 -8.535 -3.013 1.00 0.00 H new ATOM 1062 N PHE A 65 1.701 -7.345 -4.326 1.00 0.00 N ATOM 1063 CA PHE A 65 1.841 -6.096 -5.133 1.00 0.00 C ATOM 1064 C PHE A 65 0.475 -5.640 -5.652 1.00 0.00 C ATOM 1065 O PHE A 65 0.175 -4.464 -5.686 1.00 0.00 O ATOM 1066 CB PHE A 65 2.754 -6.476 -6.298 1.00 0.00 C ATOM 1067 CG PHE A 65 4.188 -6.188 -5.929 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.701 -6.647 -4.710 1.00 0.00 C ATOM 1069 CD2 PHE A 65 5.007 -5.465 -6.805 1.00 0.00 C ATOM 1070 CE1 PHE A 65 6.032 -6.382 -4.367 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.338 -5.200 -6.461 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.850 -5.659 -5.242 1.00 0.00 C ATOM 0 H PHE A 65 2.465 -8.013 -4.428 1.00 0.00 H new ATOM 0 HA PHE A 65 2.248 -5.273 -4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.634 -7.533 -6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.477 -5.913 -7.189 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.070 -7.205 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.612 -5.112 -7.746 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.428 -6.736 -3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.969 -4.642 -7.136 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.877 -5.455 -4.977 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.355 -6.561 -6.056 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.699 -6.177 -6.571 1.00 0.00 C ATOM 1084 C ASN A 66 -2.586 -5.689 -5.422 1.00 0.00 C ATOM 1085 O ASN A 66 -3.367 -4.770 -5.575 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.269 -7.456 -7.184 1.00 0.00 C ATOM 1087 CG ASN A 66 -1.941 -7.497 -8.678 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -2.775 -7.857 -9.485 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -0.752 -7.140 -9.082 1.00 0.00 N ATOM 0 H ASN A 66 -0.161 -7.562 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.647 -5.366 -7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.849 -8.329 -6.685 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.348 -7.493 -7.037 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.523 -7.163 -10.076 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.052 -6.838 -8.404 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.478 -6.300 -4.274 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.319 -5.874 -3.119 1.00 0.00 C ATOM 1098 C VAL A 67 -2.890 -4.492 -2.617 1.00 0.00 C ATOM 1099 O VAL A 67 -3.712 -3.640 -2.345 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.075 -6.932 -2.043 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -3.628 -6.437 -0.705 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -3.782 -8.230 -2.436 1.00 0.00 C ATOM 0 H VAL A 67 -1.844 -7.076 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.372 -5.795 -3.389 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.004 -7.114 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.454 -7.192 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.126 -5.511 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.699 -6.255 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.609 -8.985 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.852 -8.047 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.389 -8.584 -3.389 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.611 -4.261 -2.488 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.145 -2.931 -1.997 1.00 0.00 C ATOM 1114 C ILE A 68 -1.554 -1.839 -2.980 1.00 0.00 C ATOM 1115 O ILE A 68 -2.105 -0.820 -2.611 1.00 0.00 O ATOM 1116 CB ILE A 68 0.374 -3.041 -1.973 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.805 -3.937 -0.816 1.00 0.00 C ATOM 1118 CG2 ILE A 68 0.980 -1.652 -1.819 1.00 0.00 C ATOM 1119 CD1 ILE A 68 0.880 -5.376 -1.322 1.00 0.00 C ATOM 0 H ILE A 68 -0.872 -4.931 -2.700 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.568 -2.680 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 68 0.725 -3.480 -2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.774 -3.619 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.095 -3.861 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.067 -1.729 -1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.674 -1.027 -2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.633 -1.205 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.187 -6.032 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.099 -5.685 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.606 -5.439 -2.133 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.290 -2.056 -4.232 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.657 -1.051 -5.264 1.00 0.00 C ATOM 1133 C VAL A 69 -3.179 -1.001 -5.414 1.00 0.00 C ATOM 1134 O VAL A 69 -3.765 0.055 -5.549 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.994 -1.547 -6.546 1.00 0.00 C ATOM 1136 CG1 VAL A 69 0.488 -1.826 -6.278 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -1.678 -2.838 -7.005 1.00 0.00 C ATOM 0 H VAL A 69 -0.831 -2.894 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.331 -0.042 -5.010 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.088 -0.787 -7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.963 -2.180 -7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.977 -0.910 -5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.581 -2.587 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.206 -3.194 -7.921 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.582 -3.597 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.734 -2.643 -7.193 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.826 -2.135 -5.378 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.310 -2.146 -5.503 1.00 0.00 C ATOM 1149 C GLU A 70 -5.919 -1.301 -4.383 1.00 0.00 C ATOM 1150 O GLU A 70 -6.744 -0.440 -4.619 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.713 -3.614 -5.352 1.00 0.00 C ATOM 1152 CG GLU A 70 -7.238 -3.723 -5.308 1.00 0.00 C ATOM 1153 CD GLU A 70 -7.822 -3.258 -6.644 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -7.723 -4.004 -7.604 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -8.359 -2.162 -6.685 1.00 0.00 O ATOM 0 H GLU A 70 -3.392 -3.051 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.657 -1.732 -6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.320 -4.197 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.282 -4.029 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.534 -4.753 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.633 -3.114 -4.495 1.00 0.00 H new ATOM 1162 N ALA A 71 -5.503 -1.529 -3.167 1.00 0.00 N ATOM 1163 CA ALA A 71 -6.040 -0.727 -2.034 1.00 0.00 C ATOM 1164 C ALA A 71 -5.583 0.725 -2.187 1.00 0.00 C ATOM 1165 O ALA A 71 -6.281 1.653 -1.829 1.00 0.00 O ATOM 1166 CB ALA A 71 -5.435 -1.356 -0.776 1.00 0.00 C ATOM 0 H ALA A 71 -4.814 -2.236 -2.910 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.129 -0.726 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.785 -0.817 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.741 -2.400 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.348 -1.299 -0.827 1.00 0.00 H new ATOM 1172 N LEU A 72 -4.412 0.919 -2.729 1.00 0.00 N ATOM 1173 CA LEU A 72 -3.890 2.301 -2.928 1.00 0.00 C ATOM 1174 C LEU A 72 -4.711 3.012 -4.007 1.00 0.00 C ATOM 1175 O LEU A 72 -4.874 4.217 -3.987 1.00 0.00 O ATOM 1176 CB LEU A 72 -2.437 2.095 -3.378 1.00 0.00 C ATOM 1177 CG LEU A 72 -1.967 3.266 -4.248 1.00 0.00 C ATOM 1178 CD1 LEU A 72 -2.576 3.150 -5.648 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -2.397 4.589 -3.610 1.00 0.00 C ATOM 0 H LEU A 72 -3.790 0.175 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.952 2.919 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.791 2.002 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.353 1.163 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.880 3.239 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.238 3.985 -6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.260 2.212 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.663 3.170 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.061 5.419 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.483 4.616 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.953 4.676 -2.618 1.00 0.00 H new ATOM 1191 N SER A 73 -5.229 2.273 -4.950 1.00 0.00 N ATOM 1192 CA SER A 73 -6.037 2.900 -6.033 1.00 0.00 C ATOM 1193 C SER A 73 -7.136 3.784 -5.439 1.00 0.00 C ATOM 1194 O SER A 73 -7.617 4.700 -6.076 1.00 0.00 O ATOM 1195 CB SER A 73 -6.649 1.727 -6.797 1.00 0.00 C ATOM 1196 OG SER A 73 -7.748 1.208 -6.059 1.00 0.00 O ATOM 0 H SER A 73 -5.127 1.260 -5.017 1.00 0.00 H new ATOM 0 HA SER A 73 -5.434 3.540 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.980 2.053 -7.783 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.901 0.950 -6.953 1.00 0.00 H new ATOM 0 HG SER A 73 -7.441 0.918 -5.175 1.00 0.00 H new ATOM 1202 N LYS A 74 -7.540 3.520 -4.226 1.00 0.00 N ATOM 1203 CA LYS A 74 -8.610 4.354 -3.607 1.00 0.00 C ATOM 1204 C LYS A 74 -8.026 5.241 -2.505 1.00 0.00 C ATOM 1205 O LYS A 74 -8.604 6.241 -2.130 1.00 0.00 O ATOM 1206 CB LYS A 74 -9.601 3.350 -3.017 1.00 0.00 C ATOM 1207 CG LYS A 74 -10.079 2.398 -4.115 1.00 0.00 C ATOM 1208 CD LYS A 74 -11.554 2.667 -4.417 1.00 0.00 C ATOM 1209 CE LYS A 74 -11.746 4.147 -4.757 1.00 0.00 C ATOM 1210 NZ LYS A 74 -13.063 4.510 -4.165 1.00 0.00 N ATOM 0 H LYS A 74 -7.178 2.768 -3.640 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.082 5.020 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.128 2.786 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.451 3.875 -2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.481 2.536 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.944 1.364 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.884 2.046 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.167 2.398 -3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.944 4.755 -4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.740 4.308 -5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.265 5.512 -4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.808 3.919 -4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.037 4.353 -3.137 1.00 0.00 H new ATOM 1224 N SER A 75 -6.894 4.875 -1.967 1.00 0.00 N ATOM 1225 CA SER A 75 -6.285 5.685 -0.874 1.00 0.00 C ATOM 1226 C SER A 75 -6.074 7.136 -1.311 1.00 0.00 C ATOM 1227 O SER A 75 -5.962 7.439 -2.483 1.00 0.00 O ATOM 1228 CB SER A 75 -4.940 5.015 -0.593 1.00 0.00 C ATOM 1229 OG SER A 75 -3.908 5.746 -1.242 1.00 0.00 O ATOM 0 H SER A 75 -6.363 4.047 -2.239 1.00 0.00 H new ATOM 0 HA SER A 75 -6.927 5.720 0.006 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.756 4.978 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.952 3.985 -0.950 1.00 0.00 H new ATOM 0 HG SER A 75 -3.046 5.536 -0.825 1.00 0.00 H new ATOM 1235 N LYS A 76 -6.011 8.031 -0.364 1.00 0.00 N ATOM 1236 CA LYS A 76 -5.797 9.468 -0.695 1.00 0.00 C ATOM 1237 C LYS A 76 -4.313 9.815 -0.544 1.00 0.00 C ATOM 1238 O LYS A 76 -3.934 10.631 0.273 1.00 0.00 O ATOM 1239 CB LYS A 76 -6.638 10.241 0.321 1.00 0.00 C ATOM 1240 CG LYS A 76 -8.021 9.596 0.435 1.00 0.00 C ATOM 1241 CD LYS A 76 -8.814 10.280 1.551 1.00 0.00 C ATOM 1242 CE LYS A 76 -10.308 10.014 1.353 1.00 0.00 C ATOM 1243 NZ LYS A 76 -10.923 11.364 1.220 1.00 0.00 N ATOM 0 H LYS A 76 -6.099 7.827 0.631 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.083 9.709 -1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.144 10.241 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.735 11.282 0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.554 9.685 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.921 8.531 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.493 9.905 2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.621 11.353 1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.487 9.409 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.728 9.470 2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.949 11.266 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.742 11.915 2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.508 11.855 0.403 1.00 0.00 H new ATOM 1257 N ALA A 77 -3.471 9.193 -1.324 1.00 0.00 N ATOM 1258 CA ALA A 77 -2.009 9.474 -1.227 1.00 0.00 C ATOM 1259 C ALA A 77 -1.640 10.689 -2.063 1.00 0.00 C ATOM 1260 O ALA A 77 -0.489 10.931 -2.368 1.00 0.00 O ATOM 1261 CB ALA A 77 -1.312 8.214 -1.742 1.00 0.00 C ATOM 0 H ALA A 77 -3.733 8.501 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.707 9.703 -0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.232 8.352 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.594 7.363 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.613 8.028 -2.773 1.00 0.00 H new ATOM 1267 N GLU A 78 -2.619 11.443 -2.432 1.00 0.00 N ATOM 1268 CA GLU A 78 -2.375 12.662 -3.257 1.00 0.00 C ATOM 1269 C GLU A 78 -1.052 13.320 -2.855 1.00 0.00 C ATOM 1270 O GLU A 78 -0.372 13.918 -3.666 1.00 0.00 O ATOM 1271 CB GLU A 78 -3.550 13.591 -2.949 1.00 0.00 C ATOM 1272 CG GLU A 78 -4.841 12.982 -3.498 1.00 0.00 C ATOM 1273 CD GLU A 78 -6.022 13.420 -2.630 1.00 0.00 C ATOM 1274 OE1 GLU A 78 -5.955 13.217 -1.429 1.00 0.00 O ATOM 1275 OE2 GLU A 78 -6.973 13.949 -3.181 1.00 0.00 O ATOM 0 H GLU A 78 -3.597 11.273 -2.199 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.304 12.432 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.636 13.742 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.379 14.571 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.996 13.300 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.767 11.895 -3.508 1.00 0.00 H new ATOM 1282 N LEU A 79 -0.680 13.208 -1.611 1.00 0.00 N ATOM 1283 CA LEU A 79 0.601 13.821 -1.157 1.00 0.00 C ATOM 1284 C LEU A 79 1.754 13.334 -2.037 1.00 0.00 C ATOM 1285 O LEU A 79 2.361 14.097 -2.763 1.00 0.00 O ATOM 1286 CB LEU A 79 0.785 13.336 0.284 1.00 0.00 C ATOM 1287 CG LEU A 79 2.247 13.507 0.699 1.00 0.00 C ATOM 1288 CD1 LEU A 79 2.315 13.963 2.156 1.00 0.00 C ATOM 1289 CD2 LEU A 79 2.979 12.170 0.550 1.00 0.00 C ATOM 0 H LEU A 79 -1.207 12.718 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 79 0.586 14.909 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.137 13.901 0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.493 12.289 0.366 1.00 0.00 H new ATOM 0 HG LEU A 79 2.719 14.255 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.357 14.085 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.794 14.914 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.842 13.216 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.021 12.291 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.505 11.423 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.932 11.843 -0.489 1.00 0.00 H new ATOM 1301 N MET A 80 2.059 12.068 -1.979 1.00 0.00 N ATOM 1302 CA MET A 80 3.171 11.528 -2.813 1.00 0.00 C ATOM 1303 C MET A 80 2.686 11.292 -4.245 1.00 0.00 C ATOM 1304 O MET A 80 1.671 11.812 -4.663 1.00 0.00 O ATOM 1305 CB MET A 80 3.554 10.204 -2.152 1.00 0.00 C ATOM 1306 CG MET A 80 2.494 9.148 -2.469 1.00 0.00 C ATOM 1307 SD MET A 80 2.479 7.895 -1.162 1.00 0.00 S ATOM 1308 CE MET A 80 4.209 7.387 -1.315 1.00 0.00 C ATOM 0 H MET A 80 1.586 11.382 -1.390 1.00 0.00 H new ATOM 0 HA MET A 80 4.017 12.213 -2.871 1.00 0.00 H new ATOM 0 HB2 MET A 80 4.529 9.875 -2.512 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.640 10.336 -1.073 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.513 9.616 -2.550 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.706 8.682 -3.431 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.291 6.315 -1.136 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.568 7.616 -2.318 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.812 7.924 -0.583 1.00 0.00 H new ATOM 1318 N GLU A 81 3.405 10.507 -4.998 1.00 0.00 N ATOM 1319 CA GLU A 81 2.987 10.232 -6.402 1.00 0.00 C ATOM 1320 C GLU A 81 3.299 8.779 -6.766 1.00 0.00 C ATOM 1321 O GLU A 81 4.340 8.255 -6.425 1.00 0.00 O ATOM 1322 CB GLU A 81 3.815 11.191 -7.257 1.00 0.00 C ATOM 1323 CG GLU A 81 2.891 11.953 -8.211 1.00 0.00 C ATOM 1324 CD GLU A 81 2.188 10.962 -9.140 1.00 0.00 C ATOM 1325 OE1 GLU A 81 2.674 9.849 -9.264 1.00 0.00 O ATOM 1326 OE2 GLU A 81 1.177 11.333 -9.713 1.00 0.00 O ATOM 0 H GLU A 81 4.264 10.044 -4.702 1.00 0.00 H new ATOM 0 HA GLU A 81 1.917 10.376 -6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.354 11.891 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.563 10.636 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.154 12.522 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.466 12.671 -8.796 1.00 0.00 H new ATOM 1333 N ILE A 82 2.405 8.124 -7.454 1.00 0.00 N ATOM 1334 CA ILE A 82 2.653 6.704 -7.837 1.00 0.00 C ATOM 1335 C ILE A 82 2.561 6.544 -9.358 1.00 0.00 C ATOM 1336 O ILE A 82 1.749 7.170 -10.010 1.00 0.00 O ATOM 1337 CB ILE A 82 1.548 5.908 -7.144 1.00 0.00 C ATOM 1338 CG1 ILE A 82 1.885 5.764 -5.657 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.443 4.520 -7.778 1.00 0.00 C ATOM 1340 CD1 ILE A 82 0.592 5.730 -4.841 1.00 0.00 C ATOM 0 H ILE A 82 1.514 8.509 -7.768 1.00 0.00 H new ATOM 0 HA ILE A 82 3.645 6.363 -7.542 1.00 0.00 H new ATOM 0 HB ILE A 82 0.598 6.430 -7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.457 4.851 -5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.510 6.596 -5.333 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.655 3.953 -7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.207 4.621 -8.837 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.392 3.996 -7.666 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.832 5.627 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.037 6.655 -4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.017 4.883 -5.159 1.00 0.00 H new ATOM 1352 N SER A 83 3.387 5.710 -9.928 1.00 0.00 N ATOM 1353 CA SER A 83 3.344 5.512 -11.405 1.00 0.00 C ATOM 1354 C SER A 83 1.910 5.235 -11.859 1.00 0.00 C ATOM 1355 O SER A 83 1.010 5.092 -11.057 1.00 0.00 O ATOM 1356 CB SER A 83 4.232 4.298 -11.671 1.00 0.00 C ATOM 1357 OG SER A 83 3.621 3.140 -11.117 1.00 0.00 O ATOM 0 H SER A 83 4.089 5.158 -9.436 1.00 0.00 H new ATOM 0 HA SER A 83 3.686 6.393 -11.948 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.379 4.168 -12.743 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.217 4.450 -11.230 1.00 0.00 H new ATOM 0 HG SER A 83 3.993 2.339 -11.542 1.00 0.00 H new ATOM 1363 N GLU A 84 1.692 5.158 -13.143 1.00 0.00 N ATOM 1364 CA GLU A 84 0.318 4.889 -13.652 1.00 0.00 C ATOM 1365 C GLU A 84 0.029 3.385 -13.633 1.00 0.00 C ATOM 1366 O GLU A 84 -1.101 2.961 -13.777 1.00 0.00 O ATOM 1367 CB GLU A 84 0.316 5.418 -15.085 1.00 0.00 C ATOM 1368 CG GLU A 84 0.643 6.913 -15.079 1.00 0.00 C ATOM 1369 CD GLU A 84 -0.062 7.596 -16.251 1.00 0.00 C ATOM 1370 OE1 GLU A 84 0.168 7.185 -17.377 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -0.822 8.518 -16.003 1.00 0.00 O ATOM 0 H GLU A 84 2.407 5.270 -13.862 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.448 5.365 -13.041 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.049 4.877 -15.684 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.658 5.250 -15.544 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.324 7.362 -14.138 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.720 7.060 -15.154 1.00 0.00 H new ATOM 1378 N ASP A 85 1.039 2.575 -13.461 1.00 0.00 N ATOM 1379 CA ASP A 85 0.810 1.101 -13.440 1.00 0.00 C ATOM 1380 C ASP A 85 0.438 0.637 -12.029 1.00 0.00 C ATOM 1381 O ASP A 85 -0.017 -0.471 -11.830 1.00 0.00 O ATOM 1382 CB ASP A 85 2.145 0.490 -13.870 1.00 0.00 C ATOM 1383 CG ASP A 85 1.964 -1.007 -14.127 1.00 0.00 C ATOM 1384 OD1 ASP A 85 0.897 -1.384 -14.585 1.00 0.00 O ATOM 1385 OD2 ASP A 85 2.894 -1.750 -13.862 1.00 0.00 O ATOM 0 H ASP A 85 2.008 2.868 -13.335 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.009 0.802 -14.095 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.509 0.983 -14.772 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.895 0.648 -13.095 1.00 0.00 H new ATOM 1390 N LYS A 86 0.626 1.476 -11.046 1.00 0.00 N ATOM 1391 CA LYS A 86 0.282 1.079 -9.649 1.00 0.00 C ATOM 1392 C LYS A 86 1.253 0.007 -9.144 1.00 0.00 C ATOM 1393 O LYS A 86 0.856 -1.085 -8.789 1.00 0.00 O ATOM 1394 CB LYS A 86 -1.139 0.520 -9.734 1.00 0.00 C ATOM 1395 CG LYS A 86 -2.032 1.240 -8.722 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.494 0.873 -8.978 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.956 1.501 -10.296 1.00 0.00 C ATOM 1398 NZ LYS A 86 -4.678 0.411 -11.009 1.00 0.00 N ATOM 0 H LYS A 86 1.003 2.418 -11.149 1.00 0.00 H new ATOM 0 HA LYS A 86 0.350 1.917 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.533 0.652 -10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.133 -0.551 -9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.748 0.960 -7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.897 2.318 -8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.606 -0.210 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.118 1.226 -8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.608 2.356 -10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.109 1.861 -10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.025 0.765 -11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.031 -0.387 -11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.483 0.093 -10.432 1.00 0.00 H new ATOM 1412 N THR A 87 2.522 0.312 -9.106 1.00 0.00 N ATOM 1413 CA THR A 87 3.516 -0.690 -8.621 1.00 0.00 C ATOM 1414 C THR A 87 4.759 0.020 -8.073 1.00 0.00 C ATOM 1415 O THR A 87 5.814 -0.568 -7.942 1.00 0.00 O ATOM 1416 CB THR A 87 3.873 -1.523 -9.854 1.00 0.00 C ATOM 1417 OG1 THR A 87 4.989 -2.352 -9.555 1.00 0.00 O ATOM 1418 CG2 THR A 87 4.224 -0.594 -11.018 1.00 0.00 C ATOM 0 H THR A 87 2.914 1.210 -9.389 1.00 0.00 H new ATOM 0 HA THR A 87 3.121 -1.306 -7.813 1.00 0.00 H new ATOM 0 HB THR A 87 3.021 -2.143 -10.133 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.712 -1.806 -9.181 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.478 -1.189 -11.895 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.369 0.042 -11.246 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.076 0.028 -10.743 1.00 0.00 H new ATOM 1426 N LYS A 88 4.643 1.280 -7.759 1.00 0.00 N ATOM 1427 CA LYS A 88 5.816 2.029 -7.224 1.00 0.00 C ATOM 1428 C LYS A 88 5.348 3.305 -6.515 1.00 0.00 C ATOM 1429 O LYS A 88 4.279 3.815 -6.783 1.00 0.00 O ATOM 1430 CB LYS A 88 6.675 2.356 -8.445 1.00 0.00 C ATOM 1431 CG LYS A 88 6.028 3.483 -9.255 1.00 0.00 C ATOM 1432 CD LYS A 88 7.121 4.338 -9.900 1.00 0.00 C ATOM 1433 CE LYS A 88 7.857 3.514 -10.958 1.00 0.00 C ATOM 1434 NZ LYS A 88 8.889 4.434 -11.513 1.00 0.00 N ATOM 0 H LYS A 88 3.786 1.825 -7.850 1.00 0.00 H new ATOM 0 HA LYS A 88 6.377 1.453 -6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.675 2.653 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.789 1.469 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.377 3.066 -10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.404 4.099 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.682 5.225 -10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.822 4.684 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.314 2.627 -10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.175 3.170 -11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.731 4.558 -12.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.823 5.357 -11.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.835 4.031 -11.355 1.00 0.00 H new ATOM 1448 N ILE A 89 6.140 3.827 -5.616 1.00 0.00 N ATOM 1449 CA ILE A 89 5.732 5.071 -4.900 1.00 0.00 C ATOM 1450 C ILE A 89 6.921 6.031 -4.791 1.00 0.00 C ATOM 1451 O ILE A 89 8.050 5.617 -4.621 1.00 0.00 O ATOM 1452 CB ILE A 89 5.289 4.603 -3.517 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.495 4.043 -2.758 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.232 3.510 -3.671 1.00 0.00 C ATOM 1455 CD1 ILE A 89 6.119 3.827 -1.291 1.00 0.00 C ATOM 0 H ILE A 89 7.048 3.448 -5.347 1.00 0.00 H new ATOM 0 HA ILE A 89 4.939 5.608 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 89 4.870 5.443 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.814 3.102 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.336 4.732 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.912 3.172 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.375 3.907 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.655 2.670 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.977 3.428 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.821 4.777 -0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.291 3.121 -1.228 1.00 0.00 H new ATOM 1467 N ARG A 90 6.675 7.308 -4.891 1.00 0.00 N ATOM 1468 CA ARG A 90 7.792 8.293 -4.800 1.00 0.00 C ATOM 1469 C ARG A 90 7.351 9.526 -4.006 1.00 0.00 C ATOM 1470 O ARG A 90 6.176 9.815 -3.894 1.00 0.00 O ATOM 1471 CB ARG A 90 8.105 8.665 -6.251 1.00 0.00 C ATOM 1472 CG ARG A 90 8.767 10.043 -6.304 1.00 0.00 C ATOM 1473 CD ARG A 90 9.298 10.303 -7.715 1.00 0.00 C ATOM 1474 NE ARG A 90 8.289 11.197 -8.346 1.00 0.00 N ATOM 1475 CZ ARG A 90 8.353 11.457 -9.624 1.00 0.00 C ATOM 1476 NH1 ARG A 90 9.301 10.932 -10.352 1.00 0.00 N ATOM 1477 NH2 ARG A 90 7.468 12.242 -10.176 1.00 0.00 N ATOM 0 H ARG A 90 5.750 7.713 -5.032 1.00 0.00 H new ATOM 0 HA ARG A 90 8.663 7.887 -4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.764 7.918 -6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.188 8.670 -6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.048 10.814 -6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.582 10.094 -5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.280 10.774 -7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.406 9.373 -8.274 1.00 0.00 H new ATOM 0 HE ARG A 90 7.547 11.607 -7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.993 10.318 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.350 11.136 -11.350 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.726 12.653 -9.609 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.518 12.445 -11.174 1.00 0.00 H new ATOM 1491 N ARG A 91 8.284 10.261 -3.464 1.00 0.00 N ATOM 1492 CA ARG A 91 7.920 11.482 -2.689 1.00 0.00 C ATOM 1493 C ARG A 91 7.666 12.641 -3.658 1.00 0.00 C ATOM 1494 O ARG A 91 8.453 12.901 -4.545 1.00 0.00 O ATOM 1495 CB ARG A 91 9.139 11.752 -1.792 1.00 0.00 C ATOM 1496 CG ARG A 91 9.452 13.253 -1.737 1.00 0.00 C ATOM 1497 CD ARG A 91 8.509 13.945 -0.747 1.00 0.00 C ATOM 1498 NE ARG A 91 9.340 14.993 -0.094 1.00 0.00 N ATOM 1499 CZ ARG A 91 9.736 16.034 -0.774 1.00 0.00 C ATOM 1500 NH1 ARG A 91 9.408 16.160 -2.030 1.00 0.00 N ATOM 1501 NH2 ARG A 91 10.464 16.951 -0.196 1.00 0.00 N ATOM 0 H ARG A 91 9.284 10.068 -3.524 1.00 0.00 H new ATOM 0 HA ARG A 91 7.013 11.364 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.946 11.379 -0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.004 11.209 -2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.488 13.407 -1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.341 13.693 -2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.652 14.383 -1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.117 13.239 -0.015 1.00 0.00 H new ATOM 0 HE ARG A 91 9.601 14.897 0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.841 15.444 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.719 16.975 -2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.722 16.853 0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.774 17.765 -0.726 1.00 0.00 H new ATOM 1515 N SER A 92 6.572 13.333 -3.504 1.00 0.00 N ATOM 1516 CA SER A 92 6.274 14.466 -4.427 1.00 0.00 C ATOM 1517 C SER A 92 7.311 15.577 -4.253 1.00 0.00 C ATOM 1518 O SER A 92 7.328 16.260 -3.248 1.00 0.00 O ATOM 1519 CB SER A 92 4.887 14.958 -4.016 1.00 0.00 C ATOM 1520 OG SER A 92 3.903 14.070 -4.531 1.00 0.00 O ATOM 0 H SER A 92 5.872 13.165 -2.781 1.00 0.00 H new ATOM 0 HA SER A 92 6.305 14.164 -5.474 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.814 15.010 -2.930 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.719 15.966 -4.395 1.00 0.00 H new ATOM 0 HG SER A 92 3.063 14.192 -4.041 1.00 0.00 H new ATOM 1526 N PRO A 93 8.143 15.723 -5.249 1.00 0.00 N ATOM 1527 CA PRO A 93 9.197 16.765 -5.214 1.00 0.00 C ATOM 1528 C PRO A 93 8.557 18.153 -5.196 1.00 0.00 C ATOM 1529 O PRO A 93 9.132 19.109 -4.713 1.00 0.00 O ATOM 1530 CB PRO A 93 9.979 16.548 -6.509 1.00 0.00 C ATOM 1531 CG PRO A 93 9.073 15.745 -7.390 1.00 0.00 C ATOM 1532 CD PRO A 93 8.176 14.943 -6.488 1.00 0.00 C ATOM 0 HA PRO A 93 9.832 16.700 -4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.239 17.498 -6.975 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.913 16.019 -6.320 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.486 16.398 -8.036 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.651 15.089 -8.041 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.180 14.827 -6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.570 13.941 -6.320 1.00 0.00 H new ATOM 1540 N SER A 94 7.368 18.268 -5.719 1.00 0.00 N ATOM 1541 CA SER A 94 6.685 19.590 -5.733 1.00 0.00 C ATOM 1542 C SER A 94 5.993 19.839 -4.392 1.00 0.00 C ATOM 1543 O SER A 94 5.474 20.908 -4.140 1.00 0.00 O ATOM 1544 CB SER A 94 5.655 19.491 -6.857 1.00 0.00 C ATOM 1545 OG SER A 94 6.242 19.936 -8.073 1.00 0.00 O ATOM 0 H SER A 94 6.840 17.502 -6.138 1.00 0.00 H new ATOM 0 HA SER A 94 7.381 20.414 -5.890 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.311 18.462 -6.961 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.781 20.097 -6.619 1.00 0.00 H new ATOM 0 HG SER A 94 5.584 19.872 -8.796 1.00 0.00 H new ATOM 1551 N LYS A 95 5.989 18.863 -3.522 1.00 0.00 N ATOM 1552 CA LYS A 95 5.340 19.052 -2.193 1.00 0.00 C ATOM 1553 C LYS A 95 6.381 18.898 -1.081 1.00 0.00 C ATOM 1554 O LYS A 95 7.116 17.931 -1.049 1.00 0.00 O ATOM 1555 CB LYS A 95 4.288 17.945 -2.103 1.00 0.00 C ATOM 1556 CG LYS A 95 2.941 18.551 -1.703 1.00 0.00 C ATOM 1557 CD LYS A 95 2.012 18.577 -2.919 1.00 0.00 C ATOM 1558 CE LYS A 95 0.555 18.598 -2.448 1.00 0.00 C ATOM 1559 NZ LYS A 95 0.243 17.183 -2.103 1.00 0.00 N ATOM 0 H LYS A 95 6.407 17.945 -3.675 1.00 0.00 H new ATOM 0 HA LYS A 95 4.895 20.041 -2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.199 17.435 -3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.594 17.197 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.491 17.966 -0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.084 19.561 -1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.220 19.455 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.190 17.703 -3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.428 19.252 -1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.108 18.969 -3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.774 17.010 -2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.784 16.547 -2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.501 17.002 -1.112 1.00 0.00 H new ATOM 1573 N PRO A 96 6.414 19.865 -0.206 1.00 0.00 N ATOM 1574 CA PRO A 96 7.379 19.841 0.918 1.00 0.00 C ATOM 1575 C PRO A 96 7.023 18.745 1.922 1.00 0.00 C ATOM 1576 O PRO A 96 5.871 18.424 2.131 1.00 0.00 O ATOM 1577 CB PRO A 96 7.244 21.209 1.564 1.00 0.00 C ATOM 1578 CG PRO A 96 5.902 21.719 1.138 1.00 0.00 C ATOM 1579 CD PRO A 96 5.565 21.060 -0.178 1.00 0.00 C ATOM 0 HA PRO A 96 8.394 19.633 0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.311 21.139 2.650 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.040 21.878 1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.147 21.486 1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.920 22.804 1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.508 20.800 -0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.776 21.719 -1.020 1.00 0.00 H new ATOM 1587 N LEU A 97 8.012 18.196 2.563 1.00 0.00 N ATOM 1588 CA LEU A 97 7.758 17.149 3.582 1.00 0.00 C ATOM 1589 C LEU A 97 8.347 17.616 4.904 1.00 0.00 C ATOM 1590 O LEU A 97 9.531 17.865 5.014 1.00 0.00 O ATOM 1591 CB LEU A 97 8.425 15.864 3.080 1.00 0.00 C ATOM 1592 CG LEU A 97 9.830 15.716 3.671 1.00 0.00 C ATOM 1593 CD1 LEU A 97 9.726 15.331 5.148 1.00 0.00 C ATOM 1594 CD2 LEU A 97 10.589 14.620 2.918 1.00 0.00 C ATOM 0 H LEU A 97 8.995 18.431 2.422 1.00 0.00 H new ATOM 0 HA LEU A 97 6.695 16.962 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.817 15.002 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.483 15.880 1.992 1.00 0.00 H new ATOM 0 HG LEU A 97 10.362 16.662 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.726 15.226 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.185 16.107 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.192 14.385 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.589 14.515 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.054 13.675 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.665 14.888 1.864 1.00 0.00 H new ATOM 1606 N PRO A 98 7.486 17.750 5.849 1.00 0.00 N ATOM 1607 CA PRO A 98 7.871 18.230 7.180 1.00 0.00 C ATOM 1608 C PRO A 98 8.156 17.067 8.130 1.00 0.00 C ATOM 1609 O PRO A 98 7.684 15.963 7.943 1.00 0.00 O ATOM 1610 CB PRO A 98 6.628 18.968 7.585 1.00 0.00 C ATOM 1611 CG PRO A 98 5.518 18.121 7.036 1.00 0.00 C ATOM 1612 CD PRO A 98 6.052 17.478 5.780 1.00 0.00 C ATOM 0 HA PRO A 98 8.781 18.830 7.196 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.557 19.069 8.668 1.00 0.00 H new ATOM 0 HB3 PRO A 98 6.607 19.975 7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 98 5.213 17.365 7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.639 18.727 6.818 1.00 0.00 H new ATOM 0 HD2 PRO A 98 5.846 16.408 5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.603 17.909 4.885 1.00 0.00 H new ATOM 1620 N GLU A 99 8.929 17.314 9.144 1.00 0.00 N ATOM 1621 CA GLU A 99 9.259 16.234 10.117 1.00 0.00 C ATOM 1622 C GLU A 99 8.623 16.531 11.478 1.00 0.00 C ATOM 1623 O GLU A 99 8.860 17.564 12.072 1.00 0.00 O ATOM 1624 CB GLU A 99 10.784 16.252 10.224 1.00 0.00 C ATOM 1625 CG GLU A 99 11.252 15.058 11.057 1.00 0.00 C ATOM 1626 CD GLU A 99 11.032 15.354 12.541 1.00 0.00 C ATOM 1627 OE1 GLU A 99 11.309 16.469 12.950 1.00 0.00 O ATOM 1628 OE2 GLU A 99 10.591 14.460 13.245 1.00 0.00 O ATOM 0 H GLU A 99 9.350 18.221 9.345 1.00 0.00 H new ATOM 0 HA GLU A 99 8.882 15.262 9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.229 16.212 9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.116 17.183 10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.702 14.162 10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.307 14.860 10.867 1.00 0.00 H new ATOM 1635 N VAL A 100 7.821 15.632 11.976 1.00 0.00 N ATOM 1636 CA VAL A 100 7.173 15.861 13.300 1.00 0.00 C ATOM 1637 C VAL A 100 7.788 14.936 14.353 1.00 0.00 C ATOM 1638 O VAL A 100 8.228 13.844 14.053 1.00 0.00 O ATOM 1639 CB VAL A 100 5.698 15.524 13.083 1.00 0.00 C ATOM 1640 CG1 VAL A 100 5.148 16.358 11.924 1.00 0.00 C ATOM 1641 CG2 VAL A 100 5.559 14.036 12.751 1.00 0.00 C ATOM 0 H VAL A 100 7.585 14.748 11.525 1.00 0.00 H new ATOM 0 HA VAL A 100 7.307 16.882 13.657 1.00 0.00 H new ATOM 0 HB VAL A 100 5.137 15.749 13.990 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.096 16.117 11.770 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.247 17.418 12.159 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.708 16.134 11.016 1.00 0.00 H new ATOM 0 HG21 VAL A 100 4.507 13.794 12.596 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.120 13.812 11.844 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.950 13.441 13.576 1.00 0.00 H new ATOM 1651 N THR A 101 7.822 15.363 15.586 1.00 0.00 N ATOM 1652 CA THR A 101 8.410 14.506 16.656 1.00 0.00 C ATOM 1653 C THR A 101 7.350 13.552 17.212 1.00 0.00 C ATOM 1654 O THR A 101 6.234 13.944 17.492 1.00 0.00 O ATOM 1655 CB THR A 101 8.874 15.483 17.736 1.00 0.00 C ATOM 1656 OG1 THR A 101 7.827 16.400 18.024 1.00 0.00 O ATOM 1657 CG2 THR A 101 10.104 16.247 17.244 1.00 0.00 C ATOM 0 H THR A 101 7.469 16.267 15.899 1.00 0.00 H new ATOM 0 HA THR A 101 9.229 13.888 16.287 1.00 0.00 H new ATOM 0 HB THR A 101 9.132 14.930 18.639 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.965 15.935 17.985 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.433 16.943 18.016 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.906 15.542 17.025 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.851 16.801 16.340 1.00 0.00 H new ATOM 1665 N ASP A 102 7.690 12.303 17.375 1.00 0.00 N ATOM 1666 CA ASP A 102 6.701 11.325 17.915 1.00 0.00 C ATOM 1667 C ASP A 102 6.880 11.173 19.427 1.00 0.00 C ATOM 1668 O ASP A 102 7.962 11.339 19.953 1.00 0.00 O ATOM 1669 CB ASP A 102 7.016 10.009 17.202 1.00 0.00 C ATOM 1670 CG ASP A 102 8.426 9.548 17.578 1.00 0.00 C ATOM 1671 OD1 ASP A 102 9.362 9.975 16.922 1.00 0.00 O ATOM 1672 OD2 ASP A 102 8.545 8.776 18.515 1.00 0.00 O ATOM 0 H ASP A 102 8.609 11.917 17.158 1.00 0.00 H new ATOM 0 HA ASP A 102 5.672 11.643 17.748 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.287 9.248 17.481 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.941 10.141 16.123 1.00 0.00 H new ATOM 1677 N GLU A 103 5.827 10.860 20.130 1.00 0.00 N ATOM 1678 CA GLU A 103 5.938 10.698 21.609 1.00 0.00 C ATOM 1679 C GLU A 103 6.515 11.970 22.236 1.00 0.00 C ATOM 1680 O GLU A 103 5.829 12.979 22.220 1.00 0.00 O ATOM 1681 CB GLU A 103 6.893 9.520 21.808 1.00 0.00 C ATOM 1682 CG GLU A 103 6.239 8.239 21.287 1.00 0.00 C ATOM 1683 CD GLU A 103 4.830 8.113 21.868 1.00 0.00 C ATOM 1684 OE1 GLU A 103 4.630 8.557 22.987 1.00 0.00 O ATOM 1685 OE2 GLU A 103 3.975 7.572 21.185 1.00 0.00 O ATOM 1686 OXT GLU A 103 7.632 11.912 22.723 1.00 0.00 O ATOM 0 H GLU A 103 4.894 10.709 19.746 1.00 0.00 H new ATOM 0 HA GLU A 103 4.971 10.521 22.080 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.829 9.704 21.280 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.139 9.412 22.864 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.195 8.258 20.198 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.838 7.372 21.567 1.00 0.00 H new TER 1693 GLU A 103