USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 563 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 6 GLN : amide:sc= -2.95 K(o=-3,f=-5.3!) USER MOD Single : A 7 CYS SG : rot 180:sc= 0.023 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 88:sc= 1.2 USER MOD Single : A 70 GLN : amide:sc= -0.63 X(o=-0.63,f=-0.13) USER MOD Single : A 74 THR OG1 : rot 74:sc= 1.74 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 152:sc= -0.0308 (180deg=-0.286) USER MOD Single : A 78 LYS NZ :NH3+ -132:sc= -0.883 (180deg=-2.67!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0876 X(o=-0.088,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 7.258 4.192 -19.252 1.00 1.00 N ATOM 47 CA GLU A 4 6.228 4.896 -18.496 1.00 1.00 C ATOM 48 C GLU A 4 4.843 4.582 -19.055 1.00 1.00 C ATOM 49 O GLU A 4 3.929 4.225 -18.312 1.00 1.00 O ATOM 50 CB GLU A 4 6.475 6.404 -18.555 1.00 1.00 C ATOM 51 CG GLU A 4 7.898 6.707 -18.083 1.00 1.00 C ATOM 52 CD GLU A 4 8.041 8.194 -17.776 1.00 1.00 C ATOM 53 OE1 GLU A 4 7.646 8.991 -18.611 1.00 1.00 O ATOM 54 OE2 GLU A 4 8.542 8.513 -16.710 1.00 1.00 O ATOM 0 HA GLU A 4 6.273 4.562 -17.460 1.00 1.00 H new ATOM 0 HB2 GLU A 4 6.333 6.767 -19.573 1.00 1.00 H new ATOM 0 HB3 GLU A 4 5.753 6.926 -17.927 1.00 1.00 H new ATOM 0 HG2 GLU A 4 8.128 6.120 -17.194 1.00 1.00 H new ATOM 0 HG3 GLU A 4 8.614 6.415 -18.851 1.00 1.00 H new ATOM 61 N LEU A 5 4.697 4.719 -20.370 1.00 1.00 N ATOM 62 CA LEU A 5 3.419 4.448 -21.017 1.00 1.00 C ATOM 63 C LEU A 5 3.067 2.967 -20.911 1.00 1.00 C ATOM 64 O LEU A 5 1.894 2.598 -20.883 1.00 1.00 O ATOM 65 CB LEU A 5 3.483 4.855 -22.491 1.00 1.00 C ATOM 66 CG LEU A 5 3.496 6.381 -22.598 1.00 1.00 C ATOM 67 CD1 LEU A 5 4.471 6.807 -23.698 1.00 1.00 C ATOM 68 CD2 LEU A 5 2.091 6.880 -22.942 1.00 1.00 C ATOM 0 H LEU A 5 5.441 5.013 -21.003 1.00 1.00 H new ATOM 0 HA LEU A 5 2.648 5.030 -20.512 1.00 1.00 H new ATOM 0 HB2 LEU A 5 4.377 4.439 -22.956 1.00 1.00 H new ATOM 0 HB3 LEU A 5 2.626 4.449 -23.029 1.00 1.00 H new ATOM 0 HG LEU A 5 3.811 6.809 -21.646 1.00 1.00 H new ATOM 0 HD11 LEU A 5 4.481 7.894 -23.775 1.00 1.00 H new ATOM 0 HD12 LEU A 5 5.472 6.452 -23.454 1.00 1.00 H new ATOM 0 HD13 LEU A 5 4.156 6.379 -24.650 1.00 1.00 H new ATOM 0 HD21 LEU A 5 2.100 7.967 -23.018 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.776 6.452 -23.894 1.00 1.00 H new ATOM 0 HD23 LEU A 5 1.395 6.577 -22.159 1.00 1.00 H new ATOM 80 N GLN A 6 4.093 2.124 -20.853 1.00 1.00 N ATOM 81 CA GLN A 6 3.880 0.684 -20.748 1.00 1.00 C ATOM 82 C GLN A 6 3.197 0.338 -19.429 1.00 1.00 C ATOM 83 O GLN A 6 2.342 -0.547 -19.376 1.00 1.00 O ATOM 84 CB GLN A 6 5.219 -0.050 -20.842 1.00 1.00 C ATOM 85 CG GLN A 6 5.005 -1.538 -20.562 1.00 1.00 C ATOM 86 CD GLN A 6 5.333 -1.847 -19.106 1.00 1.00 C ATOM 87 OE1 GLN A 6 4.455 -1.777 -18.243 1.00 1.00 O ATOM 88 NE2 GLN A 6 6.549 -2.185 -18.776 1.00 1.00 N ATOM 0 H GLN A 6 5.072 2.409 -20.877 1.00 1.00 H new ATOM 0 HA GLN A 6 3.236 0.370 -21.569 1.00 1.00 H new ATOM 0 HB2 GLN A 6 5.652 0.086 -21.833 1.00 1.00 H new ATOM 0 HB3 GLN A 6 5.926 0.368 -20.125 1.00 1.00 H new ATOM 0 HG2 GLN A 6 3.972 -1.812 -20.777 1.00 1.00 H new ATOM 0 HG3 GLN A 6 5.636 -2.135 -21.220 1.00 1.00 H new ATOM 0 HE21 GLN A 6 7.274 -2.242 -19.491 1.00 1.00 H new ATOM 0 HE22 GLN A 6 6.775 -2.392 -17.803 1.00 1.00 H new ATOM 97 N CYS A 7 3.581 1.040 -18.367 1.00 1.00 N ATOM 98 CA CYS A 7 2.998 0.797 -17.054 1.00 1.00 C ATOM 99 C CYS A 7 1.523 1.185 -17.042 1.00 1.00 C ATOM 100 O CYS A 7 0.679 0.442 -16.542 1.00 1.00 O ATOM 101 CB CYS A 7 3.749 1.604 -15.991 1.00 1.00 C ATOM 102 SG CYS A 7 5.526 1.293 -16.143 1.00 1.00 S ATOM 0 H CYS A 7 4.287 1.775 -18.390 1.00 1.00 H new ATOM 0 HA CYS A 7 3.084 -0.266 -16.831 1.00 1.00 H new ATOM 0 HB2 CYS A 7 3.543 2.667 -16.113 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.404 1.325 -14.996 1.00 1.00 H new ATOM 0 HG CYS A 7 6.165 1.979 -15.243 1.00 1.00 H new ATOM 107 N ILE A 8 1.219 2.354 -17.598 1.00 1.00 N ATOM 108 CA ILE A 8 -0.158 2.832 -17.647 1.00 1.00 C ATOM 109 C ILE A 8 -1.014 1.903 -18.502 1.00 1.00 C ATOM 110 O ILE A 8 -2.198 1.704 -18.228 1.00 1.00 O ATOM 111 CB ILE A 8 -0.199 4.247 -18.228 1.00 1.00 C ATOM 112 CG1 ILE A 8 0.337 5.237 -17.193 1.00 1.00 C ATOM 113 CG2 ILE A 8 -1.642 4.611 -18.583 1.00 1.00 C ATOM 114 CD1 ILE A 8 0.930 6.453 -17.907 1.00 1.00 C ATOM 0 H ILE A 8 1.903 2.984 -18.018 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.557 2.845 -16.633 1.00 1.00 H new ATOM 0 HB ILE A 8 0.417 4.290 -19.126 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.465 5.550 -16.525 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.097 4.758 -16.576 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.672 5.619 -18.997 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -2.025 3.905 -19.320 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -2.259 4.569 -17.686 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.312 7.158 -17.169 1.00 1.00 H new ATOM 0 HD12 ILE A 8 1.744 6.132 -18.557 1.00 1.00 H new ATOM 0 HD13 ILE A 8 0.157 6.936 -18.505 1.00 1.00 H new ATOM 126 N ARG A 9 -0.407 1.339 -19.541 1.00 1.00 N ATOM 127 CA ARG A 9 -1.119 0.432 -20.433 1.00 1.00 C ATOM 128 C ARG A 9 -1.445 -0.877 -19.723 1.00 1.00 C ATOM 129 O ARG A 9 -2.464 -1.509 -20.005 1.00 1.00 O ATOM 130 CB ARG A 9 -0.269 0.145 -21.672 1.00 1.00 C ATOM 131 CG ARG A 9 -1.117 -0.585 -22.716 1.00 1.00 C ATOM 132 CD ARG A 9 -0.233 -1.006 -23.890 1.00 1.00 C ATOM 133 NE ARG A 9 -0.770 -0.478 -25.140 1.00 1.00 N ATOM 134 CZ ARG A 9 -0.296 -0.879 -26.315 1.00 1.00 C ATOM 135 NH1 ARG A 9 0.665 -1.759 -26.365 1.00 1.00 N ATOM 136 NH2 ARG A 9 -0.792 -0.392 -27.419 1.00 1.00 N ATOM 0 H ARG A 9 0.571 1.493 -19.785 1.00 1.00 H new ATOM 0 HA ARG A 9 -2.052 0.909 -20.734 1.00 1.00 H new ATOM 0 HB2 ARG A 9 0.114 1.077 -22.087 1.00 1.00 H new ATOM 0 HB3 ARG A 9 0.595 -0.462 -21.401 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -1.588 -1.461 -22.269 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -1.919 0.064 -23.066 1.00 1.00 H new ATOM 0 HD2 ARG A 9 0.783 -0.641 -23.739 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -0.177 -2.093 -23.941 1.00 1.00 H new ATOM 0 HE ARG A 9 -1.522 0.211 -25.111 1.00 1.00 H new ATOM 0 HH11 ARG A 9 1.053 -2.140 -25.502 1.00 1.00 H new ATOM 0 HH12 ARG A 9 1.028 -2.067 -27.267 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -1.544 0.297 -27.380 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -0.428 -0.700 -28.321 1.00 1.00 H new ATOM 150 N GLU A 10 -0.578 -1.278 -18.800 1.00 1.00 N ATOM 151 CA GLU A 10 -0.787 -2.515 -18.054 1.00 1.00 C ATOM 152 C GLU A 10 -1.928 -2.354 -17.053 1.00 1.00 C ATOM 153 O GLU A 10 -2.799 -3.217 -16.946 1.00 1.00 O ATOM 154 CB GLU A 10 0.494 -2.899 -17.311 1.00 1.00 C ATOM 155 CG GLU A 10 1.376 -3.753 -18.224 1.00 1.00 C ATOM 156 CD GLU A 10 2.697 -4.066 -17.528 1.00 1.00 C ATOM 157 OE1 GLU A 10 3.153 -3.232 -16.763 1.00 1.00 O ATOM 158 OE2 GLU A 10 3.233 -5.134 -17.772 1.00 1.00 O ATOM 0 H GLU A 10 0.270 -0.769 -18.551 1.00 1.00 H new ATOM 0 HA GLU A 10 -1.048 -3.302 -18.761 1.00 1.00 H new ATOM 0 HB2 GLU A 10 1.032 -2.002 -17.003 1.00 1.00 H new ATOM 0 HB3 GLU A 10 0.249 -3.451 -16.404 1.00 1.00 H new ATOM 0 HG2 GLU A 10 0.861 -4.679 -18.478 1.00 1.00 H new ATOM 0 HG3 GLU A 10 1.564 -3.226 -19.159 1.00 1.00 H new ATOM 165 N CYS A 11 -1.914 -1.244 -16.321 1.00 1.00 N ATOM 166 CA CYS A 11 -2.951 -0.981 -15.328 1.00 1.00 C ATOM 167 C CYS A 11 -4.326 -0.932 -15.985 1.00 1.00 C ATOM 168 O CYS A 11 -5.310 -1.410 -15.419 1.00 1.00 O ATOM 169 CB CYS A 11 -2.672 0.347 -14.622 1.00 1.00 C ATOM 170 SG CYS A 11 -3.297 0.273 -12.926 1.00 1.00 S ATOM 0 H CYS A 11 -1.202 -0.517 -16.395 1.00 1.00 H new ATOM 0 HA CYS A 11 -2.941 -1.790 -14.598 1.00 1.00 H new ATOM 0 HB2 CYS A 11 -1.601 0.550 -14.617 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -3.150 1.165 -15.161 1.00 1.00 H new ATOM 0 HG CYS A 11 -3.058 1.401 -12.326 1.00 1.00 H new ATOM 175 N ARG A 12 -4.389 -0.354 -17.178 1.00 1.00 N ATOM 176 CA ARG A 12 -5.653 -0.252 -17.900 1.00 1.00 C ATOM 177 C ARG A 12 -6.102 -1.626 -18.385 1.00 1.00 C ATOM 178 O ARG A 12 -7.287 -1.953 -18.349 1.00 1.00 O ATOM 179 CB ARG A 12 -5.498 0.689 -19.096 1.00 1.00 C ATOM 180 CG ARG A 12 -6.855 0.871 -19.780 1.00 1.00 C ATOM 181 CD ARG A 12 -6.778 2.038 -20.764 1.00 1.00 C ATOM 182 NE ARG A 12 -7.542 1.736 -21.969 1.00 1.00 N ATOM 183 CZ ARG A 12 -7.033 0.972 -22.930 1.00 1.00 C ATOM 184 NH1 ARG A 12 -5.831 0.479 -22.806 1.00 1.00 N ATOM 185 NH2 ARG A 12 -7.737 0.714 -23.999 1.00 1.00 N ATOM 0 H ARG A 12 -3.587 0.049 -17.664 1.00 1.00 H new ATOM 0 HA ARG A 12 -6.407 0.147 -17.222 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -5.113 1.654 -18.766 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -4.774 0.281 -19.802 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -7.135 -0.043 -20.304 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -7.627 1.060 -19.035 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -7.166 2.943 -20.296 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -5.738 2.235 -21.024 1.00 1.00 H new ATOM 0 HE ARG A 12 -8.482 2.117 -22.076 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -5.281 0.680 -21.971 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -5.442 -0.107 -23.544 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -8.677 1.099 -24.096 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -7.347 0.128 -24.737 1.00 1.00 H new ATOM 199 N LEU A 13 -5.143 -2.429 -18.836 1.00 1.00 N ATOM 200 CA LEU A 13 -5.446 -3.769 -19.325 1.00 1.00 C ATOM 201 C LEU A 13 -5.812 -4.689 -18.164 1.00 1.00 C ATOM 202 O LEU A 13 -6.639 -5.588 -18.310 1.00 1.00 O ATOM 203 CB LEU A 13 -4.234 -4.335 -20.075 1.00 1.00 C ATOM 204 CG LEU A 13 -4.592 -5.681 -20.722 1.00 1.00 C ATOM 205 CD1 LEU A 13 -5.672 -5.483 -21.791 1.00 1.00 C ATOM 206 CD2 LEU A 13 -3.341 -6.275 -21.374 1.00 1.00 C ATOM 0 H LEU A 13 -4.155 -2.177 -18.873 1.00 1.00 H new ATOM 0 HA LEU A 13 -6.296 -3.709 -20.005 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -3.909 -3.630 -20.840 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -3.399 -4.465 -19.386 1.00 1.00 H new ATOM 0 HG LEU A 13 -4.970 -6.356 -19.954 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -5.917 -6.444 -22.243 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -6.565 -5.059 -21.332 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -5.303 -4.805 -22.560 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -3.590 -7.231 -21.835 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -2.968 -5.591 -22.136 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -2.573 -6.427 -20.616 1.00 1.00 H new ATOM 218 N ALA A 14 -5.190 -4.457 -17.014 1.00 1.00 N ATOM 219 CA ALA A 14 -5.455 -5.272 -15.834 1.00 1.00 C ATOM 220 C ALA A 14 -6.881 -5.052 -15.337 1.00 1.00 C ATOM 221 O ALA A 14 -7.474 -5.934 -14.715 1.00 1.00 O ATOM 222 CB ALA A 14 -4.466 -4.918 -14.722 1.00 1.00 C ATOM 0 H ALA A 14 -4.503 -3.716 -16.873 1.00 1.00 H new ATOM 0 HA ALA A 14 -5.336 -6.320 -16.107 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -4.671 -5.531 -13.844 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -3.449 -5.105 -15.066 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -4.573 -3.865 -14.462 1.00 1.00 H new ATOM 228 N GLN A 15 -7.425 -3.873 -15.617 1.00 1.00 N ATOM 229 CA GLN A 15 -8.784 -3.550 -15.193 1.00 1.00 C ATOM 230 C GLN A 15 -9.787 -4.492 -15.851 1.00 1.00 C ATOM 231 O GLN A 15 -10.929 -4.608 -15.404 1.00 1.00 O ATOM 232 CB GLN A 15 -9.118 -2.104 -15.564 1.00 1.00 C ATOM 233 CG GLN A 15 -8.213 -1.153 -14.778 1.00 1.00 C ATOM 234 CD GLN A 15 -9.010 -0.471 -13.672 1.00 1.00 C ATOM 235 OE1 GLN A 15 -8.815 -0.766 -12.493 1.00 1.00 O ATOM 236 NE2 GLN A 15 -9.900 0.431 -13.984 1.00 1.00 N ATOM 0 H GLN A 15 -6.952 -3.130 -16.131 1.00 1.00 H new ATOM 0 HA GLN A 15 -8.846 -3.669 -14.111 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -8.981 -1.951 -16.635 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -10.164 -1.893 -15.343 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -7.377 -1.705 -14.348 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -7.790 -0.404 -15.447 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -10.059 0.673 -14.962 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -10.436 0.894 -13.250 1.00 1.00 H new ATOM 598 N ALA A 45 5.907 -10.204 -5.515 1.00 1.00 N ATOM 599 CA ALA A 45 7.304 -10.602 -5.404 1.00 1.00 C ATOM 600 C ALA A 45 8.144 -9.470 -4.817 1.00 1.00 C ATOM 601 O ALA A 45 9.092 -9.715 -4.073 1.00 1.00 O ATOM 602 CB ALA A 45 7.851 -10.979 -6.782 1.00 1.00 C ATOM 0 HA ALA A 45 7.362 -11.464 -4.739 1.00 1.00 H new ATOM 0 HB1 ALA A 45 8.896 -11.275 -6.690 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.273 -11.809 -7.188 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.774 -10.122 -7.451 1.00 1.00 H new ATOM 608 N ILE A 46 7.791 -8.234 -5.156 1.00 1.00 N ATOM 609 CA ILE A 46 8.525 -7.077 -4.653 1.00 1.00 C ATOM 610 C ILE A 46 7.829 -6.486 -3.431 1.00 1.00 C ATOM 611 O ILE A 46 8.462 -5.845 -2.593 1.00 1.00 O ATOM 612 CB ILE A 46 8.633 -6.013 -5.747 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.244 -5.732 -6.324 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.556 -6.516 -6.861 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.318 -4.547 -7.291 1.00 1.00 C ATOM 0 H ILE A 46 7.009 -8.008 -5.771 1.00 1.00 H new ATOM 0 HA ILE A 46 9.524 -7.403 -4.362 1.00 1.00 H new ATOM 0 HB ILE A 46 9.043 -5.097 -5.322 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.870 -6.615 -6.843 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.542 -5.514 -5.519 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.633 -5.758 -7.640 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.546 -6.716 -6.451 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.147 -7.433 -7.286 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.327 -4.349 -7.700 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.674 -3.665 -6.759 1.00 1.00 H new ATOM 0 HD13 ILE A 46 8.006 -4.783 -8.103 1.00 1.00 H new ATOM 627 N ALA A 47 6.524 -6.709 -3.334 1.00 1.00 N ATOM 628 CA ALA A 47 5.754 -6.196 -2.205 1.00 1.00 C ATOM 629 C ALA A 47 6.201 -6.856 -0.906 1.00 1.00 C ATOM 630 O ALA A 47 6.034 -6.294 0.178 1.00 1.00 O ATOM 631 CB ALA A 47 4.265 -6.461 -2.428 1.00 1.00 C ATOM 0 H ALA A 47 5.980 -7.237 -4.016 1.00 1.00 H new ATOM 0 HA ALA A 47 5.926 -5.122 -2.130 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.696 -6.076 -1.582 1.00 1.00 H new ATOM 0 HB2 ALA A 47 3.940 -5.963 -3.341 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.096 -7.534 -2.520 1.00 1.00 H new ATOM 637 N ASN A 48 6.768 -8.053 -1.019 1.00 1.00 N ATOM 638 CA ASN A 48 7.234 -8.783 0.152 1.00 1.00 C ATOM 639 C ASN A 48 8.628 -8.318 0.549 1.00 1.00 C ATOM 640 O ASN A 48 9.051 -8.489 1.693 1.00 1.00 O ATOM 641 CB ASN A 48 7.255 -10.285 -0.141 1.00 1.00 C ATOM 642 CG ASN A 48 5.984 -10.934 0.395 1.00 1.00 C ATOM 643 OD1 ASN A 48 5.984 -11.490 1.494 1.00 1.00 O ATOM 644 ND2 ASN A 48 4.891 -10.892 -0.317 1.00 1.00 N ATOM 0 H ASN A 48 6.915 -8.535 -1.906 1.00 1.00 H new ATOM 0 HA ASN A 48 6.549 -8.587 0.977 1.00 1.00 H new ATOM 0 HB2 ASN A 48 7.336 -10.454 -1.215 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.130 -10.743 0.320 1.00 1.00 H new ATOM 0 HD21 ASN A 48 4.035 -11.320 0.037 1.00 1.00 H new ATOM 0 HD22 ASN A 48 4.893 -10.431 -1.227 1.00 1.00 H new ATOM 651 N PHE A 49 9.337 -7.729 -0.406 1.00 1.00 N ATOM 652 CA PHE A 49 10.686 -7.242 -0.152 1.00 1.00 C ATOM 653 C PHE A 49 10.655 -6.056 0.809 1.00 1.00 C ATOM 654 O PHE A 49 11.676 -5.410 1.046 1.00 1.00 O ATOM 655 CB PHE A 49 11.342 -6.831 -1.466 1.00 1.00 C ATOM 656 CG PHE A 49 12.371 -7.867 -1.853 1.00 1.00 C ATOM 657 CD1 PHE A 49 11.968 -9.049 -2.484 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.727 -7.646 -1.578 1.00 1.00 C ATOM 659 CE1 PHE A 49 12.919 -10.011 -2.842 1.00 1.00 C ATOM 660 CE2 PHE A 49 14.678 -8.609 -1.937 1.00 1.00 C ATOM 661 CZ PHE A 49 14.274 -9.791 -2.569 1.00 1.00 C ATOM 0 H PHE A 49 9.003 -7.578 -1.358 1.00 1.00 H new ATOM 0 HA PHE A 49 11.267 -8.043 0.305 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.589 -6.739 -2.249 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.814 -5.854 -1.361 1.00 1.00 H new ATOM 0 HD1 PHE A 49 10.923 -9.219 -2.695 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.038 -6.734 -1.090 1.00 1.00 H new ATOM 0 HE1 PHE A 49 12.607 -10.923 -3.329 1.00 1.00 H new ATOM 0 HE2 PHE A 49 15.724 -8.440 -1.726 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.008 -10.533 -2.846 1.00 1.00 H new ATOM 671 N LEU A 50 9.478 -5.788 1.366 1.00 1.00 N ATOM 672 CA LEU A 50 9.312 -4.694 2.314 1.00 1.00 C ATOM 673 C LEU A 50 8.683 -5.226 3.600 1.00 1.00 C ATOM 674 O LEU A 50 7.504 -5.583 3.627 1.00 1.00 O ATOM 675 CB LEU A 50 8.415 -3.599 1.712 1.00 1.00 C ATOM 676 CG LEU A 50 9.198 -2.734 0.701 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.644 -2.959 -0.708 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.037 -1.255 1.066 1.00 1.00 C ATOM 0 H LEU A 50 8.625 -6.314 1.176 1.00 1.00 H new ATOM 0 HA LEU A 50 10.289 -4.265 2.536 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.559 -4.057 1.217 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.022 -2.967 2.509 1.00 1.00 H new ATOM 0 HG LEU A 50 10.251 -3.013 0.731 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.199 -2.347 -1.419 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.747 -4.010 -0.976 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.591 -2.680 -0.734 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.589 -0.642 0.353 1.00 1.00 H new ATOM 0 HD22 LEU A 50 7.981 -0.985 1.035 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.426 -1.084 2.070 1.00 1.00 H new ATOM 690 N GLU A 51 9.484 -5.287 4.662 1.00 1.00 N ATOM 691 CA GLU A 51 9.010 -5.788 5.948 1.00 1.00 C ATOM 692 C GLU A 51 7.634 -5.203 6.278 1.00 1.00 C ATOM 693 O GLU A 51 7.307 -4.104 5.832 1.00 1.00 O ATOM 694 CB GLU A 51 10.009 -5.404 7.044 1.00 1.00 C ATOM 695 CG GLU A 51 11.209 -6.353 6.994 1.00 1.00 C ATOM 696 CD GLU A 51 10.982 -7.540 7.924 1.00 1.00 C ATOM 697 OE1 GLU A 51 11.031 -7.346 9.126 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.781 -8.632 7.417 1.00 1.00 O ATOM 0 H GLU A 51 10.462 -4.996 4.656 1.00 1.00 H new ATOM 0 HA GLU A 51 8.923 -6.873 5.893 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.340 -4.375 6.906 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.531 -5.456 8.022 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.361 -6.705 5.974 1.00 1.00 H new ATOM 0 HG3 GLU A 51 12.115 -5.821 7.286 1.00 1.00 H new ATOM 705 N PRO A 52 6.821 -5.904 7.040 1.00 1.00 N ATOM 706 CA PRO A 52 5.457 -5.418 7.413 1.00 1.00 C ATOM 707 C PRO A 52 5.502 -4.078 8.141 1.00 1.00 C ATOM 708 O PRO A 52 4.834 -3.123 7.742 1.00 1.00 O ATOM 709 CB PRO A 52 4.894 -6.516 8.325 1.00 1.00 C ATOM 710 CG PRO A 52 6.065 -7.342 8.743 1.00 1.00 C ATOM 711 CD PRO A 52 7.098 -7.225 7.627 1.00 1.00 C ATOM 0 HA PRO A 52 4.840 -5.244 6.531 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.391 -6.085 9.191 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.157 -7.122 7.798 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.473 -6.985 9.689 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.773 -8.381 8.894 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.115 -7.287 8.013 1.00 1.00 H new ATOM 0 HD3 PRO A 52 6.987 -8.022 6.892 1.00 1.00 H new ATOM 719 N GLN A 53 6.291 -4.010 9.208 1.00 1.00 N ATOM 720 CA GLN A 53 6.408 -2.774 9.975 1.00 1.00 C ATOM 721 C GLN A 53 6.950 -1.661 9.086 1.00 1.00 C ATOM 722 O GLN A 53 6.424 -0.547 9.071 1.00 1.00 O ATOM 723 CB GLN A 53 7.344 -2.984 11.167 1.00 1.00 C ATOM 724 CG GLN A 53 7.080 -1.905 12.218 1.00 1.00 C ATOM 725 CD GLN A 53 8.368 -1.576 12.967 1.00 1.00 C ATOM 726 OE1 GLN A 53 8.970 -2.455 13.583 1.00 1.00 O ATOM 727 NE2 GLN A 53 8.825 -0.355 12.953 1.00 1.00 N ATOM 0 H GLN A 53 6.853 -4.786 9.559 1.00 1.00 H new ATOM 0 HA GLN A 53 5.421 -2.492 10.342 1.00 1.00 H new ATOM 0 HB2 GLN A 53 7.186 -3.973 11.598 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.383 -2.941 10.839 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.690 -1.007 11.739 1.00 1.00 H new ATOM 0 HG3 GLN A 53 6.320 -2.248 12.920 1.00 1.00 H new ATOM 0 HE21 GLN A 53 8.324 0.371 12.441 1.00 1.00 H new ATOM 0 HE22 GLN A 53 9.684 -0.126 13.454 1.00 1.00 H new ATOM 736 N ALA A 54 7.998 -1.980 8.338 1.00 1.00 N ATOM 737 CA ALA A 54 8.607 -1.014 7.431 1.00 1.00 C ATOM 738 C ALA A 54 7.618 -0.611 6.350 1.00 1.00 C ATOM 739 O ALA A 54 7.680 0.496 5.817 1.00 1.00 O ATOM 740 CB ALA A 54 9.856 -1.616 6.787 1.00 1.00 C ATOM 0 H ALA A 54 8.444 -2.897 8.341 1.00 1.00 H new ATOM 0 HA ALA A 54 8.888 -0.129 8.002 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.304 -0.887 6.111 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.574 -1.881 7.563 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.582 -2.510 6.227 1.00 1.00 H new ATOM 746 N LEU A 55 6.708 -1.521 6.026 1.00 1.00 N ATOM 747 CA LEU A 55 5.710 -1.246 4.996 1.00 1.00 C ATOM 748 C LEU A 55 4.879 -0.025 5.377 1.00 1.00 C ATOM 749 O LEU A 55 4.507 0.780 4.522 1.00 1.00 O ATOM 750 CB LEU A 55 4.789 -2.456 4.815 1.00 1.00 C ATOM 751 CG LEU A 55 4.766 -2.864 3.339 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.861 -4.084 3.160 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.232 -1.705 2.494 1.00 1.00 C ATOM 0 H LEU A 55 6.639 -2.444 6.454 1.00 1.00 H new ATOM 0 HA LEU A 55 6.229 -1.047 4.058 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.138 -3.287 5.428 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.781 -2.213 5.152 1.00 1.00 H new ATOM 0 HG LEU A 55 5.778 -3.111 3.017 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.845 -4.374 2.109 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.242 -4.911 3.759 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.850 -3.838 3.484 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.216 -1.997 1.444 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.221 -1.455 2.816 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.878 -0.836 2.619 1.00 1.00 H new ATOM 765 N GLU A 56 4.597 0.107 6.668 1.00 1.00 N ATOM 766 CA GLU A 56 3.814 1.234 7.158 1.00 1.00 C ATOM 767 C GLU A 56 4.621 2.526 7.072 1.00 1.00 C ATOM 768 O GLU A 56 4.071 3.595 6.810 1.00 1.00 O ATOM 769 CB GLU A 56 3.399 0.985 8.610 1.00 1.00 C ATOM 770 CG GLU A 56 1.953 1.439 8.818 1.00 1.00 C ATOM 771 CD GLU A 56 1.819 2.923 8.487 1.00 1.00 C ATOM 772 OE1 GLU A 56 2.022 3.727 9.381 1.00 1.00 O ATOM 773 OE2 GLU A 56 1.518 3.230 7.346 1.00 1.00 O ATOM 0 H GLU A 56 4.897 -0.548 7.390 1.00 1.00 H new ATOM 0 HA GLU A 56 2.925 1.334 6.536 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.496 -0.074 8.850 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.061 1.527 9.286 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.285 0.855 8.185 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.652 1.259 9.850 1.00 1.00 H new ATOM 780 N ARG A 57 5.927 2.420 7.304 1.00 1.00 N ATOM 781 CA ARG A 57 6.799 3.589 7.262 1.00 1.00 C ATOM 782 C ARG A 57 6.743 4.269 5.896 1.00 1.00 C ATOM 783 O ARG A 57 6.450 5.460 5.804 1.00 1.00 O ATOM 784 CB ARG A 57 8.243 3.168 7.563 1.00 1.00 C ATOM 785 CG ARG A 57 8.836 4.049 8.671 1.00 1.00 C ATOM 786 CD ARG A 57 9.031 5.477 8.151 1.00 1.00 C ATOM 787 NE ARG A 57 10.303 5.584 7.449 1.00 1.00 N ATOM 788 CZ ARG A 57 10.556 6.601 6.631 1.00 1.00 C ATOM 789 NH1 ARG A 57 9.665 7.539 6.460 1.00 1.00 N ATOM 790 NH2 ARG A 57 11.695 6.662 5.996 1.00 1.00 N ATOM 0 H ARG A 57 6.401 1.543 7.521 1.00 1.00 H new ATOM 0 HA ARG A 57 6.454 4.298 8.015 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.268 2.122 7.869 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.849 3.251 6.660 1.00 1.00 H new ATOM 0 HG2 ARG A 57 8.174 4.055 9.537 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.790 3.639 9.002 1.00 1.00 H new ATOM 0 HD2 ARG A 57 8.213 5.743 7.481 1.00 1.00 H new ATOM 0 HD3 ARG A 57 9.005 6.182 8.982 1.00 1.00 H new ATOM 0 HE ARG A 57 11.013 4.865 7.588 1.00 1.00 H new ATOM 0 HH11 ARG A 57 8.774 7.492 6.954 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.860 8.319 5.832 1.00 1.00 H new ATOM 0 HH21 ARG A 57 12.392 5.929 6.127 1.00 1.00 H new ATOM 0 HH22 ARG A 57 11.888 7.443 5.369 1.00 1.00 H new ATOM 804 N LEU A 58 7.027 3.515 4.836 1.00 1.00 N ATOM 805 CA LEU A 58 7.001 4.083 3.492 1.00 1.00 C ATOM 806 C LEU A 58 5.614 4.656 3.198 1.00 1.00 C ATOM 807 O LEU A 58 5.474 5.677 2.527 1.00 1.00 O ATOM 808 CB LEU A 58 7.364 3.009 2.455 1.00 1.00 C ATOM 809 CG LEU A 58 7.221 3.566 1.030 1.00 1.00 C ATOM 810 CD1 LEU A 58 8.022 4.863 0.883 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.759 2.538 0.031 1.00 1.00 C ATOM 0 H LEU A 58 7.274 2.526 4.880 1.00 1.00 H new ATOM 0 HA LEU A 58 7.736 4.886 3.431 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.387 2.669 2.618 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.716 2.141 2.579 1.00 1.00 H new ATOM 0 HG LEU A 58 6.168 3.770 0.835 1.00 1.00 H new ATOM 0 HD11 LEU A 58 7.911 5.246 -0.131 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.651 5.602 1.593 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.075 4.665 1.083 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.660 2.928 -0.982 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.810 2.341 0.242 1.00 1.00 H new ATOM 0 HD23 LEU A 58 7.191 1.612 0.120 1.00 1.00 H new ATOM 823 N SER A 59 4.588 3.987 3.709 1.00 1.00 N ATOM 824 CA SER A 59 3.217 4.446 3.511 1.00 1.00 C ATOM 825 C SER A 59 2.978 5.772 4.235 1.00 1.00 C ATOM 826 O SER A 59 2.299 6.660 3.722 1.00 1.00 O ATOM 827 CB SER A 59 2.235 3.397 4.031 1.00 1.00 C ATOM 828 OG SER A 59 2.434 2.177 3.329 1.00 1.00 O ATOM 0 H SER A 59 4.676 3.132 4.259 1.00 1.00 H new ATOM 0 HA SER A 59 3.059 4.597 2.443 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.382 3.243 5.100 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.210 3.744 3.897 1.00 1.00 H new ATOM 0 HG SER A 59 3.124 1.648 3.781 1.00 1.00 H new ATOM 834 N ARG A 60 3.523 5.879 5.448 1.00 1.00 N ATOM 835 CA ARG A 60 3.351 7.080 6.270 1.00 1.00 C ATOM 836 C ARG A 60 3.969 8.314 5.626 1.00 1.00 C ATOM 837 O ARG A 60 3.361 9.385 5.608 1.00 1.00 O ATOM 838 CB ARG A 60 4.016 6.858 7.634 1.00 1.00 C ATOM 839 CG ARG A 60 4.027 8.169 8.437 1.00 1.00 C ATOM 840 CD ARG A 60 5.423 8.801 8.384 1.00 1.00 C ATOM 841 NE ARG A 60 6.327 8.108 9.294 1.00 1.00 N ATOM 842 CZ ARG A 60 7.479 8.658 9.666 1.00 1.00 C ATOM 843 NH1 ARG A 60 7.804 9.845 9.234 1.00 1.00 N ATOM 844 NH2 ARG A 60 8.284 8.011 10.463 1.00 1.00 N ATOM 0 H ARG A 60 4.087 5.149 5.884 1.00 1.00 H new ATOM 0 HA ARG A 60 2.280 7.252 6.376 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.479 6.088 8.188 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.036 6.499 7.496 1.00 1.00 H new ATOM 0 HG2 ARG A 60 3.289 8.861 8.031 1.00 1.00 H new ATOM 0 HG3 ARG A 60 3.745 7.974 9.472 1.00 1.00 H new ATOM 0 HD2 ARG A 60 5.813 8.754 7.367 1.00 1.00 H new ATOM 0 HD3 ARG A 60 5.363 9.855 8.653 1.00 1.00 H new ATOM 0 HE ARG A 60 6.072 7.187 9.651 1.00 1.00 H new ATOM 0 HH11 ARG A 60 7.175 10.351 8.611 1.00 1.00 H new ATOM 0 HH12 ARG A 60 8.688 10.267 9.519 1.00 1.00 H new ATOM 0 HH21 ARG A 60 8.030 7.083 10.801 1.00 1.00 H new ATOM 0 HH22 ARG A 60 9.168 8.433 10.748 1.00 1.00 H new ATOM 858 N VAL A 61 5.187 8.173 5.131 1.00 1.00 N ATOM 859 CA VAL A 61 5.880 9.302 4.526 1.00 1.00 C ATOM 860 C VAL A 61 5.140 9.809 3.290 1.00 1.00 C ATOM 861 O VAL A 61 5.047 11.012 3.065 1.00 1.00 O ATOM 862 CB VAL A 61 7.313 8.910 4.149 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.293 7.618 3.348 1.00 1.00 C ATOM 864 CG2 VAL A 61 7.948 10.024 3.313 1.00 1.00 C ATOM 0 H VAL A 61 5.713 7.299 5.135 1.00 1.00 H new ATOM 0 HA VAL A 61 5.909 10.106 5.262 1.00 1.00 H new ATOM 0 HB VAL A 61 7.898 8.763 5.057 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.312 7.340 3.080 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.846 6.825 3.948 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.706 7.761 2.441 1.00 1.00 H new ATOM 0 HG21 VAL A 61 8.967 9.743 3.046 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.364 10.176 2.405 1.00 1.00 H new ATOM 0 HG23 VAL A 61 7.966 10.948 3.891 1.00 1.00 H new ATOM 874 N ALA A 62 4.623 8.883 2.492 1.00 1.00 N ATOM 875 CA ALA A 62 3.901 9.243 1.276 1.00 1.00 C ATOM 876 C ALA A 62 2.923 10.389 1.527 1.00 1.00 C ATOM 877 O ALA A 62 2.820 11.315 0.722 1.00 1.00 O ATOM 878 CB ALA A 62 3.137 8.029 0.747 1.00 1.00 C ATOM 0 H ALA A 62 4.689 7.880 2.663 1.00 1.00 H new ATOM 0 HA ALA A 62 4.632 9.572 0.538 1.00 1.00 H new ATOM 0 HB1 ALA A 62 2.600 8.304 -0.161 1.00 1.00 H new ATOM 0 HB2 ALA A 62 3.839 7.226 0.524 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.426 7.690 1.500 1.00 1.00 H new ATOM 884 N LEU A 63 2.195 10.315 2.636 1.00 1.00 N ATOM 885 CA LEU A 63 1.216 11.348 2.968 1.00 1.00 C ATOM 886 C LEU A 63 1.883 12.704 3.177 1.00 1.00 C ATOM 887 O LEU A 63 1.235 13.744 3.061 1.00 1.00 O ATOM 888 CB LEU A 63 0.463 10.964 4.242 1.00 1.00 C ATOM 889 CG LEU A 63 -0.664 9.988 3.899 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.098 8.809 3.106 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.301 9.473 5.191 1.00 1.00 C ATOM 0 H LEU A 63 2.262 9.558 3.316 1.00 1.00 H new ATOM 0 HA LEU A 63 0.523 11.426 2.130 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.147 10.508 4.957 1.00 1.00 H new ATOM 0 HB3 LEU A 63 0.053 11.856 4.717 1.00 1.00 H new ATOM 0 HG LEU A 63 -1.417 10.500 3.299 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -0.902 8.115 2.863 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.357 9.175 2.185 1.00 1.00 H new ATOM 0 HD13 LEU A 63 0.655 8.296 3.704 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.104 8.777 4.948 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -0.547 8.962 5.790 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.706 10.312 5.757 1.00 1.00 H new ATOM 903 N VAL A 64 3.172 12.690 3.504 1.00 1.00 N ATOM 904 CA VAL A 64 3.899 13.933 3.750 1.00 1.00 C ATOM 905 C VAL A 64 4.800 14.301 2.572 1.00 1.00 C ATOM 906 O VAL A 64 4.765 15.433 2.091 1.00 1.00 O ATOM 907 CB VAL A 64 4.740 13.797 5.020 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.704 15.114 5.794 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.163 12.683 5.898 1.00 1.00 C ATOM 0 H VAL A 64 3.730 11.842 3.604 1.00 1.00 H new ATOM 0 HA VAL A 64 3.167 14.731 3.874 1.00 1.00 H new ATOM 0 HB VAL A 64 5.768 13.555 4.750 1.00 1.00 H new ATOM 0 HG11 VAL A 64 5.303 15.020 6.700 1.00 1.00 H new ATOM 0 HG12 VAL A 64 5.109 15.913 5.172 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.674 15.350 6.062 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.762 12.586 6.803 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.136 12.927 6.168 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.180 11.741 5.349 1.00 1.00 H new ATOM 919 N ARG A 65 5.605 13.344 2.114 1.00 1.00 N ATOM 920 CA ARG A 65 6.511 13.593 0.992 1.00 1.00 C ATOM 921 C ARG A 65 6.421 12.478 -0.043 1.00 1.00 C ATOM 922 O ARG A 65 7.251 11.570 -0.066 1.00 1.00 O ATOM 923 CB ARG A 65 7.952 13.698 1.486 1.00 1.00 C ATOM 924 CG ARG A 65 8.140 15.002 2.267 1.00 1.00 C ATOM 925 CD ARG A 65 8.625 16.100 1.320 1.00 1.00 C ATOM 926 NE ARG A 65 8.718 17.371 2.030 1.00 1.00 N ATOM 927 CZ ARG A 65 8.739 18.526 1.373 1.00 1.00 C ATOM 928 NH1 ARG A 65 8.680 18.535 0.069 1.00 1.00 N ATOM 929 NH2 ARG A 65 8.820 19.650 2.031 1.00 1.00 N ATOM 0 H ARG A 65 5.650 12.399 2.496 1.00 1.00 H new ATOM 0 HA ARG A 65 6.211 14.533 0.528 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.191 12.845 2.121 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.639 13.668 0.640 1.00 1.00 H new ATOM 0 HG2 ARG A 65 7.200 15.298 2.732 1.00 1.00 H new ATOM 0 HG3 ARG A 65 8.862 14.856 3.071 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.598 15.832 0.909 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.939 16.194 0.478 1.00 1.00 H new ATOM 0 HE ARG A 65 8.768 17.373 3.049 1.00 1.00 H new ATOM 0 HH11 ARG A 65 8.618 17.656 -0.445 1.00 1.00 H new ATOM 0 HH12 ARG A 65 8.696 19.421 -0.436 1.00 1.00 H new ATOM 0 HH21 ARG A 65 8.867 19.642 3.050 1.00 1.00 H new ATOM 0 HH22 ARG A 65 8.836 20.536 1.526 1.00 1.00 H new ATOM 943 N ARG A 66 5.419 12.564 -0.906 1.00 1.00 N ATOM 944 CA ARG A 66 5.238 11.568 -1.954 1.00 1.00 C ATOM 945 C ARG A 66 6.461 11.532 -2.866 1.00 1.00 C ATOM 946 O ARG A 66 6.807 10.487 -3.419 1.00 1.00 O ATOM 947 CB ARG A 66 3.991 11.889 -2.779 1.00 1.00 C ATOM 948 CG ARG A 66 3.053 10.679 -2.775 1.00 1.00 C ATOM 949 CD ARG A 66 1.875 10.941 -3.713 1.00 1.00 C ATOM 950 NE ARG A 66 0.678 10.273 -3.217 1.00 1.00 N ATOM 951 CZ ARG A 66 -0.534 10.660 -3.599 1.00 1.00 C ATOM 952 NH1 ARG A 66 -0.669 11.653 -4.436 1.00 1.00 N ATOM 953 NH2 ARG A 66 -1.591 10.049 -3.137 1.00 1.00 N ATOM 0 H ARG A 66 4.722 13.309 -0.902 1.00 1.00 H new ATOM 0 HA ARG A 66 5.114 10.592 -1.485 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.482 12.759 -2.365 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.273 12.141 -3.801 1.00 1.00 H new ATOM 0 HG2 ARG A 66 3.593 9.787 -3.093 1.00 1.00 H new ATOM 0 HG3 ARG A 66 2.691 10.490 -1.764 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.695 12.013 -3.792 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.112 10.582 -4.715 1.00 1.00 H new ATOM 0 HE ARG A 66 0.773 9.494 -2.565 1.00 1.00 H new ATOM 0 HH11 ARG A 66 0.156 12.132 -4.797 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -1.600 11.950 -4.729 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -1.487 9.274 -2.482 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -2.521 10.347 -3.431 1.00 1.00 H new ATOM 967 N ASP A 67 7.107 12.685 -3.020 1.00 1.00 N ATOM 968 CA ASP A 67 8.288 12.783 -3.870 1.00 1.00 C ATOM 969 C ASP A 67 9.409 11.889 -3.346 1.00 1.00 C ATOM 970 O ASP A 67 10.042 11.160 -4.110 1.00 1.00 O ATOM 971 CB ASP A 67 8.773 14.232 -3.924 1.00 1.00 C ATOM 972 CG ASP A 67 10.114 14.306 -4.646 1.00 1.00 C ATOM 973 OD1 ASP A 67 10.164 13.917 -5.801 1.00 1.00 O ATOM 974 OD2 ASP A 67 11.072 14.748 -4.032 1.00 1.00 O ATOM 0 H ASP A 67 6.834 13.559 -2.570 1.00 1.00 H new ATOM 0 HA ASP A 67 8.016 12.451 -4.872 1.00 1.00 H new ATOM 0 HB2 ASP A 67 8.039 14.851 -4.439 1.00 1.00 H new ATOM 0 HB3 ASP A 67 8.872 14.629 -2.914 1.00 1.00 H new ATOM 979 N ARG A 68 9.649 11.953 -2.041 1.00 1.00 N ATOM 980 CA ARG A 68 10.696 11.147 -1.428 1.00 1.00 C ATOM 981 C ARG A 68 10.333 9.665 -1.477 1.00 1.00 C ATOM 982 O ARG A 68 11.180 8.818 -1.760 1.00 1.00 O ATOM 983 CB ARG A 68 10.891 11.578 0.026 1.00 1.00 C ATOM 984 CG ARG A 68 11.441 13.005 0.070 1.00 1.00 C ATOM 985 CD ARG A 68 11.513 13.479 1.523 1.00 1.00 C ATOM 986 NE ARG A 68 11.797 14.909 1.575 1.00 1.00 N ATOM 987 CZ ARG A 68 11.693 15.588 2.713 1.00 1.00 C ATOM 988 NH1 ARG A 68 11.328 14.977 3.807 1.00 1.00 N ATOM 989 NH2 ARG A 68 11.954 16.867 2.736 1.00 1.00 N ATOM 0 H ARG A 68 9.137 12.550 -1.392 1.00 1.00 H new ATOM 0 HA ARG A 68 11.621 11.298 -1.984 1.00 1.00 H new ATOM 0 HB2 ARG A 68 9.943 11.526 0.561 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.578 10.897 0.528 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.431 13.039 -0.384 1.00 1.00 H new ATOM 0 HG3 ARG A 68 10.802 13.671 -0.510 1.00 1.00 H new ATOM 0 HD2 ARG A 68 10.570 13.270 2.028 1.00 1.00 H new ATOM 0 HD3 ARG A 68 12.289 12.928 2.055 1.00 1.00 H new ATOM 0 HE ARG A 68 12.080 15.396 0.724 1.00 1.00 H new ATOM 0 HH11 ARG A 68 11.122 13.978 3.789 1.00 1.00 H new ATOM 0 HH12 ARG A 68 11.248 15.498 4.680 1.00 1.00 H new ATOM 0 HH21 ARG A 68 12.238 17.345 1.881 1.00 1.00 H new ATOM 0 HH22 ARG A 68 11.874 17.388 3.609 1.00 1.00 H new ATOM 1003 N ALA A 69 9.070 9.363 -1.202 1.00 1.00 N ATOM 1004 CA ALA A 69 8.597 7.982 -1.215 1.00 1.00 C ATOM 1005 C ALA A 69 8.730 7.376 -2.606 1.00 1.00 C ATOM 1006 O ALA A 69 8.865 6.161 -2.755 1.00 1.00 O ATOM 1007 CB ALA A 69 7.131 7.933 -0.794 1.00 1.00 C ATOM 0 H ALA A 69 8.356 10.053 -0.968 1.00 1.00 H new ATOM 0 HA ALA A 69 9.207 7.409 -0.517 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.783 6.900 -0.806 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.028 8.339 0.212 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.533 8.525 -1.487 1.00 1.00 H new ATOM 1013 N GLN A 70 8.674 8.228 -3.621 1.00 1.00 N ATOM 1014 CA GLN A 70 8.771 7.765 -4.997 1.00 1.00 C ATOM 1015 C GLN A 70 10.201 7.365 -5.341 1.00 1.00 C ATOM 1016 O GLN A 70 10.428 6.434 -6.114 1.00 1.00 O ATOM 1017 CB GLN A 70 8.304 8.870 -5.947 1.00 1.00 C ATOM 1018 CG GLN A 70 7.742 8.248 -7.225 1.00 1.00 C ATOM 1019 CD GLN A 70 8.001 9.166 -8.416 1.00 1.00 C ATOM 1020 OE1 GLN A 70 7.097 9.420 -9.213 1.00 1.00 O ATOM 1021 NE2 GLN A 70 9.188 9.683 -8.585 1.00 1.00 N ATOM 0 H GLN A 70 8.563 9.237 -3.518 1.00 1.00 H new ATOM 0 HA GLN A 70 8.133 6.888 -5.109 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.542 9.481 -5.463 1.00 1.00 H new ATOM 0 HB3 GLN A 70 9.136 9.531 -6.188 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.204 7.276 -7.399 1.00 1.00 H new ATOM 0 HG3 GLN A 70 6.671 8.077 -7.114 1.00 1.00 H new ATOM 0 HE21 GLN A 70 9.935 9.471 -7.924 1.00 1.00 H new ATOM 0 HE22 GLN A 70 9.368 10.299 -9.378 1.00 1.00 H new ATOM 1030 N ALA A 71 11.164 8.081 -4.776 1.00 1.00 N ATOM 1031 CA ALA A 71 12.568 7.792 -5.038 1.00 1.00 C ATOM 1032 C ALA A 71 13.037 6.561 -4.257 1.00 1.00 C ATOM 1033 O ALA A 71 13.920 5.834 -4.709 1.00 1.00 O ATOM 1034 CB ALA A 71 13.425 9.002 -4.671 1.00 1.00 C ATOM 0 H ALA A 71 11.001 8.860 -4.138 1.00 1.00 H new ATOM 0 HA ALA A 71 12.678 7.579 -6.101 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.473 8.779 -4.869 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.117 9.860 -5.268 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.297 9.231 -3.613 1.00 1.00 H new ATOM 1040 N VAL A 72 12.446 6.332 -3.083 1.00 1.00 N ATOM 1041 CA VAL A 72 12.829 5.183 -2.260 1.00 1.00 C ATOM 1042 C VAL A 72 12.403 3.882 -2.927 1.00 1.00 C ATOM 1043 O VAL A 72 13.192 2.944 -3.051 1.00 1.00 O ATOM 1044 CB VAL A 72 12.178 5.273 -0.875 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.792 4.217 0.047 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.419 6.660 -0.276 1.00 1.00 C ATOM 0 H VAL A 72 11.711 6.917 -2.685 1.00 1.00 H new ATOM 0 HA VAL A 72 13.914 5.195 -2.152 1.00 1.00 H new ATOM 0 HB VAL A 72 11.106 5.101 -0.974 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.329 4.281 1.032 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.621 3.225 -0.371 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.864 4.392 0.138 1.00 1.00 H new ATOM 0 HG21 VAL A 72 11.954 6.717 0.708 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.491 6.834 -0.181 1.00 1.00 H new ATOM 0 HG23 VAL A 72 11.984 7.418 -0.927 1.00 1.00 H new ATOM 1056 N GLU A 73 11.155 3.835 -3.359 1.00 1.00 N ATOM 1057 CA GLU A 73 10.629 2.646 -4.020 1.00 1.00 C ATOM 1058 C GLU A 73 11.344 2.427 -5.349 1.00 1.00 C ATOM 1059 O GLU A 73 11.560 1.292 -5.772 1.00 1.00 O ATOM 1060 CB GLU A 73 9.120 2.783 -4.246 1.00 1.00 C ATOM 1061 CG GLU A 73 8.823 4.049 -5.058 1.00 1.00 C ATOM 1062 CD GLU A 73 9.097 3.813 -6.541 1.00 1.00 C ATOM 1063 OE1 GLU A 73 9.269 2.666 -6.921 1.00 1.00 O ATOM 1064 OE2 GLU A 73 9.122 4.786 -7.277 1.00 1.00 O ATOM 0 H GLU A 73 10.487 4.600 -3.266 1.00 1.00 H new ATOM 0 HA GLU A 73 10.805 1.783 -3.378 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.742 1.907 -4.772 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.603 2.827 -3.287 1.00 1.00 H new ATOM 0 HG2 GLU A 73 7.783 4.342 -4.917 1.00 1.00 H new ATOM 0 HG3 GLU A 73 9.438 4.873 -4.696 1.00 1.00 H new ATOM 1071 N THR A 74 11.714 3.526 -6.002 1.00 1.00 N ATOM 1072 CA THR A 74 12.409 3.447 -7.283 1.00 1.00 C ATOM 1073 C THR A 74 13.819 2.902 -7.087 1.00 1.00 C ATOM 1074 O THR A 74 14.358 2.214 -7.954 1.00 1.00 O ATOM 1075 CB THR A 74 12.479 4.831 -7.930 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.182 5.214 -8.367 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.432 4.788 -9.127 1.00 1.00 C ATOM 0 H THR A 74 11.546 4.475 -5.668 1.00 1.00 H new ATOM 0 HA THR A 74 11.855 2.773 -7.936 1.00 1.00 H new ATOM 0 HB THR A 74 12.845 5.555 -7.203 1.00 1.00 H new ATOM 0 HG1 THR A 74 10.635 5.460 -7.592 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.482 5.774 -9.588 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.426 4.494 -8.790 1.00 1.00 H new ATOM 0 HG23 THR A 74 13.068 4.065 -9.856 1.00 1.00 H new ATOM 1085 N TYR A 75 14.407 3.216 -5.939 1.00 1.00 N ATOM 1086 CA TYR A 75 15.756 2.756 -5.628 1.00 1.00 C ATOM 1087 C TYR A 75 15.788 1.234 -5.513 1.00 1.00 C ATOM 1088 O TYR A 75 16.645 0.575 -6.098 1.00 1.00 O ATOM 1089 CB TYR A 75 16.219 3.390 -4.316 1.00 1.00 C ATOM 1090 CG TYR A 75 17.503 2.744 -3.860 1.00 1.00 C ATOM 1091 CD1 TYR A 75 18.734 3.243 -4.303 1.00 1.00 C ATOM 1092 CD2 TYR A 75 17.466 1.647 -2.991 1.00 1.00 C ATOM 1093 CE1 TYR A 75 19.926 2.647 -3.876 1.00 1.00 C ATOM 1094 CE2 TYR A 75 18.658 1.050 -2.564 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.888 1.551 -3.007 1.00 1.00 C ATOM 1096 OH TYR A 75 21.064 0.962 -2.586 1.00 1.00 O ATOM 0 H TYR A 75 13.974 3.784 -5.211 1.00 1.00 H new ATOM 0 HA TYR A 75 16.428 3.054 -6.433 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.369 4.461 -4.452 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.450 3.270 -3.553 1.00 1.00 H new ATOM 0 HD1 TYR A 75 18.764 4.088 -4.975 1.00 1.00 H new ATOM 0 HD2 TYR A 75 16.517 1.261 -2.650 1.00 1.00 H new ATOM 0 HE1 TYR A 75 20.875 3.033 -4.217 1.00 1.00 H new ATOM 0 HE2 TYR A 75 18.629 0.204 -1.894 1.00 1.00 H new ATOM 0 HH TYR A 75 20.859 0.215 -1.986 1.00 1.00 H new ATOM 1106 N LEU A 76 14.844 0.685 -4.757 1.00 1.00 N ATOM 1107 CA LEU A 76 14.766 -0.761 -4.568 1.00 1.00 C ATOM 1108 C LEU A 76 14.417 -1.466 -5.880 1.00 1.00 C ATOM 1109 O LEU A 76 15.021 -2.480 -6.228 1.00 1.00 O ATOM 1110 CB LEU A 76 13.695 -1.084 -3.523 1.00 1.00 C ATOM 1111 CG LEU A 76 13.786 -2.562 -3.112 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.859 -2.757 -2.037 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.437 -3.022 -2.557 1.00 1.00 C ATOM 0 H LEU A 76 14.124 1.216 -4.266 1.00 1.00 H new ATOM 0 HA LEU A 76 15.739 -1.115 -4.229 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.826 -0.447 -2.648 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.705 -0.871 -3.928 1.00 1.00 H new ATOM 0 HG LEU A 76 14.051 -3.150 -3.991 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.908 -3.810 -1.759 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.826 -2.439 -2.426 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.607 -2.161 -1.159 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.502 -4.070 -2.266 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.177 -2.419 -1.687 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.670 -2.905 -3.322 1.00 1.00 H new ATOM 1125 N LYS A 77 13.429 -0.934 -6.593 1.00 1.00 N ATOM 1126 CA LYS A 77 12.993 -1.530 -7.851 1.00 1.00 C ATOM 1127 C LYS A 77 14.139 -1.577 -8.860 1.00 1.00 C ATOM 1128 O LYS A 77 14.317 -2.574 -9.560 1.00 1.00 O ATOM 1129 CB LYS A 77 11.796 -0.733 -8.405 1.00 1.00 C ATOM 1130 CG LYS A 77 11.987 -0.388 -9.888 1.00 1.00 C ATOM 1131 CD LYS A 77 10.719 0.287 -10.415 1.00 1.00 C ATOM 1132 CE LYS A 77 11.069 1.669 -10.970 1.00 1.00 C ATOM 1133 NZ LYS A 77 11.981 1.519 -12.138 1.00 1.00 N ATOM 0 H LYS A 77 12.917 -0.094 -6.322 1.00 1.00 H new ATOM 0 HA LYS A 77 12.680 -2.558 -7.670 1.00 1.00 H new ATOM 0 HB2 LYS A 77 10.882 -1.314 -8.280 1.00 1.00 H new ATOM 0 HB3 LYS A 77 11.671 0.185 -7.830 1.00 1.00 H new ATOM 0 HG2 LYS A 77 12.844 0.274 -10.012 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.197 -1.292 -10.460 1.00 1.00 H new ATOM 0 HD2 LYS A 77 10.265 -0.325 -11.194 1.00 1.00 H new ATOM 0 HD3 LYS A 77 9.985 0.380 -9.615 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.161 2.193 -11.269 1.00 1.00 H new ATOM 0 HE3 LYS A 77 11.546 2.273 -10.198 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 11.852 2.323 -12.784 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 12.967 1.494 -11.808 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 11.761 0.634 -12.639 1.00 1.00 H new ATOM 1147 N LYS A 78 14.905 -0.495 -8.941 1.00 1.00 N ATOM 1148 CA LYS A 78 16.018 -0.436 -9.882 1.00 1.00 C ATOM 1149 C LYS A 78 17.073 -1.483 -9.540 1.00 1.00 C ATOM 1150 O LYS A 78 17.552 -2.202 -10.414 1.00 1.00 O ATOM 1151 CB LYS A 78 16.650 0.956 -9.851 1.00 1.00 C ATOM 1152 CG LYS A 78 17.821 1.010 -10.833 1.00 1.00 C ATOM 1153 CD LYS A 78 18.088 2.461 -11.232 1.00 1.00 C ATOM 1154 CE LYS A 78 18.379 3.291 -9.978 1.00 1.00 C ATOM 1155 NZ LYS A 78 17.105 3.853 -9.448 1.00 1.00 N ATOM 0 H LYS A 78 14.779 0.344 -8.374 1.00 1.00 H new ATOM 0 HA LYS A 78 15.634 -0.642 -10.881 1.00 1.00 H new ATOM 0 HB2 LYS A 78 15.907 1.709 -10.113 1.00 1.00 H new ATOM 0 HB3 LYS A 78 16.996 1.187 -8.844 1.00 1.00 H new ATOM 0 HG2 LYS A 78 18.712 0.578 -10.377 1.00 1.00 H new ATOM 0 HG3 LYS A 78 17.595 0.415 -11.718 1.00 1.00 H new ATOM 0 HD2 LYS A 78 18.933 2.511 -11.918 1.00 1.00 H new ATOM 0 HD3 LYS A 78 17.225 2.869 -11.759 1.00 1.00 H new ATOM 0 HE2 LYS A 78 18.858 2.670 -9.221 1.00 1.00 H new ATOM 0 HE3 LYS A 78 19.074 4.097 -10.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 17.228 4.867 -9.251 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 16.350 3.726 -10.152 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 16.846 3.359 -8.570 1.00 1.00 H new ATOM 1169 N LEU A 79 17.424 -1.566 -8.263 1.00 1.00 N ATOM 1170 CA LEU A 79 18.421 -2.534 -7.819 1.00 1.00 C ATOM 1171 C LEU A 79 17.879 -3.956 -7.938 1.00 1.00 C ATOM 1172 O LEU A 79 18.557 -4.843 -8.458 1.00 1.00 O ATOM 1173 CB LEU A 79 18.823 -2.244 -6.373 1.00 1.00 C ATOM 1174 CG LEU A 79 20.057 -1.336 -6.359 1.00 1.00 C ATOM 1175 CD1 LEU A 79 19.759 -0.047 -7.131 1.00 1.00 C ATOM 1176 CD2 LEU A 79 20.419 -0.990 -4.912 1.00 1.00 C ATOM 0 H LEU A 79 17.038 -0.981 -7.522 1.00 1.00 H new ATOM 0 HA LEU A 79 19.300 -2.445 -8.458 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.999 -1.764 -5.844 1.00 1.00 H new ATOM 0 HB3 LEU A 79 19.038 -3.176 -5.850 1.00 1.00 H new ATOM 0 HG LEU A 79 20.891 -1.855 -6.831 1.00 1.00 H new ATOM 0 HD11 LEU A 79 20.639 0.596 -7.119 1.00 1.00 H new ATOM 0 HD12 LEU A 79 19.502 -0.291 -8.162 1.00 1.00 H new ATOM 0 HD13 LEU A 79 18.923 0.473 -6.663 1.00 1.00 H new ATOM 0 HD21 LEU A 79 21.297 -0.344 -4.901 1.00 1.00 H new ATOM 0 HD22 LEU A 79 19.583 -0.474 -4.441 1.00 1.00 H new ATOM 0 HD23 LEU A 79 20.636 -1.906 -4.362 1.00 1.00 H new ATOM 1188 N ILE A 80 16.651 -4.173 -7.466 1.00 1.00 N ATOM 1189 CA ILE A 80 16.044 -5.498 -7.547 1.00 1.00 C ATOM 1190 C ILE A 80 15.950 -5.934 -9.005 1.00 1.00 C ATOM 1191 O ILE A 80 16.229 -7.086 -9.340 1.00 1.00 O ATOM 1192 CB ILE A 80 14.640 -5.491 -6.920 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.764 -5.723 -5.406 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.791 -6.608 -7.549 1.00 1.00 C ATOM 1195 CD1 ILE A 80 13.392 -5.592 -4.735 1.00 1.00 C ATOM 0 H ILE A 80 16.066 -3.460 -7.030 1.00 1.00 H new ATOM 0 HA ILE A 80 16.670 -6.199 -6.995 1.00 1.00 H new ATOM 0 HB ILE A 80 14.159 -4.530 -7.103 1.00 1.00 H new ATOM 0 HG12 ILE A 80 15.177 -6.714 -5.215 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.458 -5.000 -4.976 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.796 -6.603 -7.104 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.709 -6.442 -8.623 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.265 -7.572 -7.366 1.00 1.00 H new ATOM 0 HD11 ILE A 80 13.494 -5.759 -3.663 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.995 -4.592 -4.911 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.710 -6.332 -5.154 1.00 1.00 H new ATOM 1207 N ALA A 81 15.550 -5.005 -9.865 1.00 1.00 N ATOM 1208 CA ALA A 81 15.413 -5.297 -11.285 1.00 1.00 C ATOM 1209 C ALA A 81 16.777 -5.515 -11.929 1.00 1.00 C ATOM 1210 O ALA A 81 16.917 -6.333 -12.839 1.00 1.00 O ATOM 1211 CB ALA A 81 14.694 -4.143 -11.987 1.00 1.00 C ATOM 0 H ALA A 81 15.316 -4.047 -9.605 1.00 1.00 H new ATOM 0 HA ALA A 81 14.828 -6.211 -11.391 1.00 1.00 H new ATOM 0 HB1 ALA A 81 14.595 -4.368 -13.049 1.00 1.00 H new ATOM 0 HB2 ALA A 81 13.704 -4.012 -11.550 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.270 -3.226 -11.863 1.00 1.00 H new ATOM 1306 N LYS A 88 15.351 -7.691 2.406 1.00 1.00 N ATOM 1307 CA LYS A 88 14.058 -7.021 2.336 1.00 1.00 C ATOM 1308 C LYS A 88 14.131 -5.654 3.007 1.00 1.00 C ATOM 1309 O LYS A 88 14.430 -5.550 4.196 1.00 1.00 O ATOM 1310 CB LYS A 88 12.970 -7.866 3.015 1.00 1.00 C ATOM 1311 CG LYS A 88 13.344 -9.355 2.989 1.00 1.00 C ATOM 1312 CD LYS A 88 13.420 -9.856 1.541 1.00 1.00 C ATOM 1313 CE LYS A 88 14.042 -11.251 1.520 1.00 1.00 C ATOM 1314 NZ LYS A 88 13.375 -12.075 0.472 1.00 1.00 N ATOM 0 HA LYS A 88 13.802 -6.893 1.284 1.00 1.00 H new ATOM 0 HB2 LYS A 88 12.838 -7.537 4.046 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.017 -7.716 2.508 1.00 1.00 H new ATOM 0 HG2 LYS A 88 14.303 -9.505 3.485 1.00 1.00 H new ATOM 0 HG3 LYS A 88 12.605 -9.933 3.543 1.00 1.00 H new ATOM 0 HD2 LYS A 88 12.423 -9.883 1.101 1.00 1.00 H new ATOM 0 HD3 LYS A 88 14.016 -9.171 0.938 1.00 1.00 H new ATOM 0 HE2 LYS A 88 15.111 -11.182 1.318 1.00 1.00 H new ATOM 0 HE3 LYS A 88 13.932 -11.725 2.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 13.797 -13.025 0.456 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 12.360 -12.151 0.684 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 13.502 -11.625 -0.457 1.00 1.00 H new ATOM 1328 N ILE A 89 13.858 -4.612 2.234 1.00 1.00 N ATOM 1329 CA ILE A 89 13.897 -3.253 2.759 1.00 1.00 C ATOM 1330 C ILE A 89 13.211 -3.187 4.123 1.00 1.00 C ATOM 1331 O ILE A 89 12.133 -3.751 4.317 1.00 1.00 O ATOM 1332 CB ILE A 89 13.230 -2.288 1.753 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.278 -1.291 1.241 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.075 -1.511 2.405 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.679 -0.427 0.127 1.00 1.00 C ATOM 0 H ILE A 89 13.609 -4.680 1.247 1.00 1.00 H new ATOM 0 HA ILE A 89 14.935 -2.950 2.895 1.00 1.00 H new ATOM 0 HB ILE A 89 12.827 -2.877 0.930 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.620 -0.658 2.060 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.150 -1.827 0.867 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.627 -0.841 1.671 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.322 -2.212 2.764 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.456 -0.928 3.243 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.430 0.278 -0.230 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.359 -1.065 -0.697 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.821 0.122 0.514 1.00 1.00 H new ATOM 1347 N THR A 90 13.845 -2.485 5.056 1.00 1.00 N ATOM 1348 CA THR A 90 13.301 -2.326 6.400 1.00 1.00 C ATOM 1349 C THR A 90 13.013 -0.852 6.680 1.00 1.00 C ATOM 1350 O THR A 90 13.379 0.021 5.894 1.00 1.00 O ATOM 1351 CB THR A 90 14.297 -2.858 7.433 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.448 -2.026 7.451 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.703 -4.288 7.066 1.00 1.00 C ATOM 0 H THR A 90 14.738 -2.016 4.906 1.00 1.00 H new ATOM 0 HA THR A 90 12.372 -2.891 6.470 1.00 1.00 H new ATOM 0 HB THR A 90 13.833 -2.857 8.419 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.086 -2.365 8.113 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.412 -4.665 7.803 1.00 1.00 H new ATOM 0 HG22 THR A 90 13.819 -4.925 7.054 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.167 -4.293 6.080 1.00 1.00 H new ATOM 1361 N GLU A 91 12.356 -0.584 7.804 1.00 1.00 N ATOM 1362 CA GLU A 91 12.022 0.789 8.178 1.00 1.00 C ATOM 1363 C GLU A 91 13.271 1.663 8.195 1.00 1.00 C ATOM 1364 O GLU A 91 13.209 2.867 7.939 1.00 1.00 O ATOM 1365 CB GLU A 91 11.380 0.805 9.568 1.00 1.00 C ATOM 1366 CG GLU A 91 12.402 0.338 10.608 1.00 1.00 C ATOM 1367 CD GLU A 91 13.045 1.542 11.288 1.00 1.00 C ATOM 1368 OE1 GLU A 91 13.129 2.581 10.655 1.00 1.00 O ATOM 1369 OE2 GLU A 91 13.444 1.406 12.432 1.00 1.00 O ATOM 0 H GLU A 91 12.045 -1.293 8.469 1.00 1.00 H new ATOM 0 HA GLU A 91 11.323 1.184 7.441 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.034 1.810 9.809 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.506 0.154 9.584 1.00 1.00 H new ATOM 0 HG2 GLU A 91 11.914 -0.292 11.352 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.168 -0.271 10.128 1.00 1.00 H new ATOM 1376 N ALA A 92 14.400 1.046 8.510 1.00 1.00 N ATOM 1377 CA ALA A 92 15.666 1.766 8.577 1.00 1.00 C ATOM 1378 C ALA A 92 16.255 1.954 7.186 1.00 1.00 C ATOM 1379 O ALA A 92 16.921 2.954 6.915 1.00 1.00 O ATOM 1380 CB ALA A 92 16.657 0.998 9.452 1.00 1.00 C ATOM 0 H ALA A 92 14.467 0.051 8.723 1.00 1.00 H new ATOM 0 HA ALA A 92 15.478 2.747 9.013 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.600 1.542 9.497 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.250 0.894 10.458 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.828 0.009 9.026 1.00 1.00 H new ATOM 1386 N GLU A 93 16.010 0.990 6.309 1.00 1.00 N ATOM 1387 CA GLU A 93 16.528 1.066 4.953 1.00 1.00 C ATOM 1388 C GLU A 93 15.866 2.210 4.196 1.00 1.00 C ATOM 1389 O GLU A 93 16.548 2.994 3.544 1.00 1.00 O ATOM 1390 CB GLU A 93 16.281 -0.253 4.226 1.00 1.00 C ATOM 1391 CG GLU A 93 17.091 -1.368 4.895 1.00 1.00 C ATOM 1392 CD GLU A 93 18.066 -1.980 3.896 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.877 -1.244 3.358 1.00 1.00 O ATOM 1394 OE2 GLU A 93 17.994 -3.182 3.690 1.00 1.00 O ATOM 0 H GLU A 93 15.461 0.154 6.511 1.00 1.00 H new ATOM 0 HA GLU A 93 17.601 1.252 4.999 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.219 -0.498 4.247 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.566 -0.161 3.178 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.637 -0.969 5.750 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.419 -2.137 5.277 1.00 1.00 H new ATOM 1401 N ILE A 94 14.542 2.313 4.303 1.00 1.00 N ATOM 1402 CA ILE A 94 13.807 3.381 3.627 1.00 1.00 C ATOM 1403 C ILE A 94 14.255 4.729 4.161 1.00 1.00 C ATOM 1404 O ILE A 94 14.529 5.654 3.396 1.00 1.00 O ATOM 1405 CB ILE A 94 12.306 3.216 3.872 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.799 1.972 3.144 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.558 4.447 3.359 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.867 1.188 4.068 1.00 1.00 C ATOM 0 H ILE A 94 13.960 1.676 4.847 1.00 1.00 H new ATOM 0 HA ILE A 94 14.008 3.326 2.557 1.00 1.00 H new ATOM 0 HB ILE A 94 12.130 3.107 4.942 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.271 2.259 2.235 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.639 1.347 2.841 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.490 4.324 3.536 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.913 5.334 3.884 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.737 4.563 2.290 1.00 1.00 H new ATOM 0 HD11 ILE A 94 10.504 0.300 3.550 1.00 1.00 H new ATOM 0 HD12 ILE A 94 11.410 0.889 4.964 1.00 1.00 H new ATOM 0 HD13 ILE A 94 10.021 1.815 4.349 1.00 1.00 H new ATOM 1420 N VAL A 95 14.353 4.827 5.478 1.00 1.00 N ATOM 1421 CA VAL A 95 14.800 6.058 6.105 1.00 1.00 C ATOM 1422 C VAL A 95 16.158 6.450 5.538 1.00 1.00 C ATOM 1423 O VAL A 95 16.438 7.627 5.316 1.00 1.00 O ATOM 1424 CB VAL A 95 14.908 5.871 7.619 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.828 6.944 8.202 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.516 5.999 8.245 1.00 1.00 C ATOM 0 H VAL A 95 14.130 4.073 6.128 1.00 1.00 H new ATOM 0 HA VAL A 95 14.076 6.846 5.899 1.00 1.00 H new ATOM 0 HB VAL A 95 15.318 4.885 7.836 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.905 6.810 9.281 1.00 1.00 H new ATOM 0 HG12 VAL A 95 16.818 6.857 7.754 1.00 1.00 H new ATOM 0 HG13 VAL A 95 15.418 7.931 7.987 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.589 5.866 9.324 1.00 1.00 H new ATOM 0 HG22 VAL A 95 13.109 6.986 8.028 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.858 5.236 7.829 1.00 1.00 H new ATOM 1436 N SER A 96 17.002 5.444 5.321 1.00 1.00 N ATOM 1437 CA SER A 96 18.343 5.681 4.796 1.00 1.00 C ATOM 1438 C SER A 96 18.287 6.347 3.425 1.00 1.00 C ATOM 1439 O SER A 96 19.002 7.317 3.176 1.00 1.00 O ATOM 1440 CB SER A 96 19.113 4.364 4.702 1.00 1.00 C ATOM 1441 OG SER A 96 20.093 4.320 5.731 1.00 1.00 O ATOM 0 H SER A 96 16.783 4.464 5.499 1.00 1.00 H new ATOM 0 HA SER A 96 18.859 6.352 5.482 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.429 3.521 4.799 1.00 1.00 H new ATOM 0 HB3 SER A 96 19.590 4.277 3.726 1.00 1.00 H new ATOM 0 HG SER A 96 20.588 3.476 5.675 1.00 1.00 H new ATOM 1447 N ILE A 97 17.431 5.844 2.538 1.00 1.00 N ATOM 1448 CA ILE A 97 17.315 6.444 1.214 1.00 1.00 C ATOM 1449 C ILE A 97 16.664 7.814 1.344 1.00 1.00 C ATOM 1450 O ILE A 97 17.102 8.784 0.727 1.00 1.00 O ATOM 1451 CB ILE A 97 16.479 5.569 0.265 1.00 1.00 C ATOM 1452 CG1 ILE A 97 16.572 4.091 0.651 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.986 5.743 -1.169 1.00 1.00 C ATOM 1454 CD1 ILE A 97 18.033 3.673 0.843 1.00 1.00 C ATOM 0 H ILE A 97 16.822 5.043 2.706 1.00 1.00 H new ATOM 0 HA ILE A 97 18.316 6.534 0.792 1.00 1.00 H new ATOM 0 HB ILE A 97 15.438 5.884 0.340 1.00 1.00 H new ATOM 0 HG12 ILE A 97 16.014 3.914 1.571 1.00 1.00 H new ATOM 0 HG13 ILE A 97 16.112 3.478 -0.124 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.394 5.123 -1.842 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.894 6.788 -1.463 1.00 1.00 H new ATOM 0 HG23 ILE A 97 18.032 5.442 -1.224 1.00 1.00 H new ATOM 0 HD11 ILE A 97 18.077 2.619 1.117 1.00 1.00 H new ATOM 0 HD12 ILE A 97 18.581 3.830 -0.086 1.00 1.00 H new ATOM 0 HD13 ILE A 97 18.482 4.273 1.635 1.00 1.00 H new ATOM 1466 N LEU A 98 15.612 7.879 2.153 1.00 1.00 N ATOM 1467 CA LEU A 98 14.893 9.128 2.371 1.00 1.00 C ATOM 1468 C LEU A 98 15.846 10.225 2.838 1.00 1.00 C ATOM 1469 O LEU A 98 15.772 11.364 2.379 1.00 1.00 O ATOM 1470 CB LEU A 98 13.809 8.909 3.428 1.00 1.00 C ATOM 1471 CG LEU A 98 13.105 10.227 3.736 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.593 10.001 3.789 1.00 1.00 C ATOM 1473 CD2 LEU A 98 13.586 10.754 5.089 1.00 1.00 C ATOM 0 H LEU A 98 15.239 7.082 2.668 1.00 1.00 H new ATOM 0 HA LEU A 98 14.439 9.440 1.431 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.086 8.176 3.072 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.253 8.503 4.337 1.00 1.00 H new ATOM 0 HG LEU A 98 13.336 10.952 2.956 1.00 1.00 H new ATOM 0 HD11 LEU A 98 11.092 10.944 4.009 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.248 9.622 2.827 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.361 9.276 4.569 1.00 1.00 H new ATOM 0 HD21 LEU A 98 13.085 11.696 5.312 1.00 1.00 H new ATOM 0 HD22 LEU A 98 13.353 10.026 5.866 1.00 1.00 H new ATOM 0 HD23 LEU A 98 14.663 10.916 5.054 1.00 1.00 H new ATOM 1485 N ASN A 99 16.742 9.871 3.754 1.00 1.00 N ATOM 1486 CA ASN A 99 17.710 10.828 4.278 1.00 1.00 C ATOM 1487 C ASN A 99 18.706 11.234 3.194 1.00 1.00 C ATOM 1488 O ASN A 99 19.182 12.368 3.164 1.00 1.00 O ATOM 1489 CB ASN A 99 18.461 10.216 5.463 1.00 1.00 C ATOM 1490 CG ASN A 99 18.089 10.948 6.748 1.00 1.00 C ATOM 1491 OD1 ASN A 99 18.539 12.071 6.976 1.00 1.00 O ATOM 1492 ND2 ASN A 99 17.285 10.377 7.602 1.00 1.00 N ATOM 0 H ASN A 99 16.818 8.933 4.147 1.00 1.00 H new ATOM 0 HA ASN A 99 17.171 11.716 4.609 1.00 1.00 H new ATOM 0 HB2 ASN A 99 18.215 9.158 5.553 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.536 10.281 5.296 1.00 1.00 H new ATOM 0 HD21 ASN A 99 17.027 10.861 8.462 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.914 9.446 7.410 1.00 1.00 H new ATOM 1499 N GLY A 100 19.015 10.294 2.308 1.00 1.00 N ATOM 1500 CA GLY A 100 19.954 10.557 1.223 1.00 1.00 C ATOM 1501 C GLY A 100 19.273 11.294 0.075 1.00 1.00 C ATOM 1502 O GLY A 100 19.898 12.101 -0.616 1.00 1.00 O ATOM 0 H GLY A 100 18.632 9.349 2.319 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.789 11.150 1.596 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.369 9.616 0.860 1.00 1.00 H new ATOM 1506 N ILE A 101 17.991 11.010 -0.126 1.00 1.00 N ATOM 1507 CA ILE A 101 17.231 11.649 -1.194 1.00 1.00 C ATOM 1508 C ILE A 101 16.881 13.087 -0.827 1.00 1.00 C ATOM 1509 O ILE A 101 16.857 13.967 -1.687 1.00 1.00 O ATOM 1510 CB ILE A 101 15.950 10.860 -1.462 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.275 9.653 -2.344 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.933 11.754 -2.176 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.352 8.490 -1.976 1.00 1.00 C ATOM 0 H ILE A 101 17.458 10.344 0.434 1.00 1.00 H new ATOM 0 HA ILE A 101 17.847 11.662 -2.093 1.00 1.00 H new ATOM 0 HB ILE A 101 15.529 10.520 -0.516 1.00 1.00 H new ATOM 0 HG12 ILE A 101 16.149 9.913 -3.395 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.317 9.361 -2.210 1.00 1.00 H new ATOM 0 HG21 ILE A 101 14.021 11.188 -2.365 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.702 12.615 -1.549 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.351 12.096 -3.123 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.583 7.630 -2.604 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.500 8.225 -0.929 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.314 8.785 -2.132 1.00 1.00 H new ATOM 1525 N ALA A 102 16.608 13.318 0.452 1.00 1.00 N ATOM 1526 CA ALA A 102 16.259 14.655 0.917 1.00 1.00 C ATOM 1527 C ALA A 102 17.397 15.630 0.637 1.00 1.00 C ATOM 1528 O ALA A 102 17.164 16.807 0.358 1.00 1.00 O ATOM 1529 CB ALA A 102 15.964 14.625 2.418 1.00 1.00 C ATOM 0 H ALA A 102 16.621 12.604 1.180 1.00 1.00 H new ATOM 0 HA ALA A 102 15.370 14.988 0.381 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.704 15.628 2.758 1.00 1.00 H new ATOM 0 HB2 ALA A 102 15.131 13.949 2.612 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.846 14.277 2.955 1.00 1.00 H new ATOM 1535 N LYS A 103 18.625 15.134 0.712 1.00 1.00 N ATOM 1536 CA LYS A 103 19.794 15.970 0.462 1.00 1.00 C ATOM 1537 C LYS A 103 19.989 16.180 -1.036 1.00 1.00 C ATOM 1538 O LYS A 103 20.529 17.200 -1.466 1.00 1.00 O ATOM 1539 CB LYS A 103 21.043 15.313 1.053 1.00 1.00 C ATOM 1540 CG LYS A 103 21.819 16.337 1.881 1.00 1.00 C ATOM 1541 CD LYS A 103 23.195 15.771 2.236 1.00 1.00 C ATOM 1542 CE LYS A 103 24.237 16.308 1.253 1.00 1.00 C ATOM 1543 NZ LYS A 103 25.543 15.635 1.495 1.00 1.00 N ATOM 0 H LYS A 103 18.838 14.163 0.942 1.00 1.00 H new ATOM 0 HA LYS A 103 19.634 16.938 0.937 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.759 14.466 1.677 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.674 14.923 0.254 1.00 1.00 H new ATOM 0 HG2 LYS A 103 21.930 17.265 1.320 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.268 16.578 2.790 1.00 1.00 H new ATOM 0 HD2 LYS A 103 23.463 16.050 3.255 1.00 1.00 H new ATOM 0 HD3 LYS A 103 23.172 14.682 2.199 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.910 16.132 0.228 1.00 1.00 H new ATOM 0 HE3 LYS A 103 24.344 17.386 1.373 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 26.251 16.000 0.827 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 25.856 15.824 2.469 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 25.436 14.610 1.359 1.00 1.00 H new ATOM 1557 N GLN A 104 19.548 15.206 -1.827 1.00 1.00 N ATOM 1558 CA GLN A 104 19.680 15.291 -3.276 1.00 1.00 C ATOM 1559 C GLN A 104 18.575 16.159 -3.872 1.00 1.00 C ATOM 1560 O GLN A 104 18.843 17.065 -4.660 1.00 1.00 O ATOM 1561 CB GLN A 104 19.614 13.890 -3.888 1.00 1.00 C ATOM 1562 CG GLN A 104 20.898 13.128 -3.555 1.00 1.00 C ATOM 1563 CD GLN A 104 22.020 13.565 -4.491 1.00 1.00 C ATOM 1564 OE1 GLN A 104 22.111 13.082 -5.619 1.00 1.00 O ATOM 1565 NE2 GLN A 104 22.884 14.454 -4.087 1.00 1.00 N ATOM 0 H GLN A 104 19.099 14.354 -1.491 1.00 1.00 H new ATOM 0 HA GLN A 104 20.644 15.746 -3.505 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.748 13.353 -3.501 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.489 13.959 -4.969 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.183 13.314 -2.520 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.730 12.055 -3.651 1.00 1.00 H new ATOM 0 HE21 GLN A 104 22.806 14.853 -3.151 1.00 1.00 H new ATOM 0 HE22 GLN A 104 23.638 14.751 -4.707 1.00 1.00 H new