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 Set 1.1: A 70 GLN : amide:sc= -5.43! K(o=-5.2!,f=-1.8) USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0.18 USER MOD Set 2.1: A 48 ASN : amide:sc= 1.12 K(o=2.3,f=-6.4!) USER MOD Set 2.2: A 88 LYS NZ :NH3+ -176:sc= 1.21 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 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 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -141:sc= -3.15! (180deg=-5.12!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0649 USER MOD Single : A 96 SER OG : rot 58:sc= 0.984 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= -0.114 K(o=-0.11,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 9.341 11.002 -16.387 1.00 1.00 N ATOM 47 CA GLU A 4 8.347 11.710 -15.589 1.00 1.00 C ATOM 48 C GLU A 4 7.012 11.770 -16.324 1.00 1.00 C ATOM 49 O GLU A 4 5.953 11.595 -15.722 1.00 1.00 O ATOM 50 CB GLU A 4 8.832 13.131 -15.294 1.00 1.00 C ATOM 51 CG GLU A 4 10.242 13.076 -14.703 1.00 1.00 C ATOM 52 CD GLU A 4 10.220 12.346 -13.365 1.00 1.00 C ATOM 53 OE1 GLU A 4 9.190 12.379 -12.711 1.00 1.00 O ATOM 54 OE2 GLU A 4 11.233 11.766 -13.011 1.00 1.00 O ATOM 0 HA GLU A 4 8.209 11.170 -14.652 1.00 1.00 H new ATOM 0 HB2 GLU A 4 8.832 13.724 -16.209 1.00 1.00 H new ATOM 0 HB3 GLU A 4 8.153 13.621 -14.597 1.00 1.00 H new ATOM 0 HG2 GLU A 4 10.915 12.567 -15.393 1.00 1.00 H new ATOM 0 HG3 GLU A 4 10.628 14.086 -14.569 1.00 1.00 H new ATOM 61 N LEU A 5 7.071 12.016 -17.628 1.00 1.00 N ATOM 62 CA LEU A 5 5.859 12.097 -18.436 1.00 1.00 C ATOM 63 C LEU A 5 5.282 10.706 -18.677 1.00 1.00 C ATOM 64 O LEU A 5 4.067 10.510 -18.630 1.00 1.00 O ATOM 65 CB LEU A 5 6.168 12.762 -19.778 1.00 1.00 C ATOM 66 CG LEU A 5 6.673 14.186 -19.539 1.00 1.00 C ATOM 67 CD1 LEU A 5 7.707 14.548 -20.607 1.00 1.00 C ATOM 68 CD2 LEU A 5 5.497 15.161 -19.617 1.00 1.00 C ATOM 0 H LEU A 5 7.938 12.162 -18.145 1.00 1.00 H new ATOM 0 HA LEU A 5 5.125 12.695 -17.896 1.00 1.00 H new ATOM 0 HB2 LEU A 5 6.919 12.185 -20.317 1.00 1.00 H new ATOM 0 HB3 LEU A 5 5.273 12.782 -20.400 1.00 1.00 H new ATOM 0 HG LEU A 5 7.134 14.248 -18.553 1.00 1.00 H new ATOM 0 HD11 LEU A 5 8.066 15.563 -20.436 1.00 1.00 H new ATOM 0 HD12 LEU A 5 8.545 13.852 -20.553 1.00 1.00 H new ATOM 0 HD13 LEU A 5 7.248 14.487 -21.594 1.00 1.00 H new ATOM 0 HD21 LEU A 5 5.854 16.177 -19.447 1.00 1.00 H new ATOM 0 HD22 LEU A 5 5.037 15.098 -20.603 1.00 1.00 H new ATOM 0 HD23 LEU A 5 4.760 14.904 -18.856 1.00 1.00 H new ATOM 80 N GLN A 6 6.160 9.742 -18.933 1.00 1.00 N ATOM 81 CA GLN A 6 5.725 8.371 -19.180 1.00 1.00 C ATOM 82 C GLN A 6 5.053 7.791 -17.941 1.00 1.00 C ATOM 83 O GLN A 6 4.009 7.147 -18.033 1.00 1.00 O ATOM 84 CB GLN A 6 6.926 7.504 -19.565 1.00 1.00 C ATOM 85 CG GLN A 6 6.518 6.533 -20.676 1.00 1.00 C ATOM 86 CD GLN A 6 7.533 5.400 -20.775 1.00 1.00 C ATOM 87 OE1 GLN A 6 7.410 4.392 -20.081 1.00 1.00 O ATOM 88 NE2 GLN A 6 8.536 5.507 -21.604 1.00 1.00 N ATOM 0 H GLN A 6 7.169 9.882 -18.975 1.00 1.00 H new ATOM 0 HA GLN A 6 5.006 8.380 -19.999 1.00 1.00 H new ATOM 0 HB2 GLN A 6 7.750 8.134 -19.902 1.00 1.00 H new ATOM 0 HB3 GLN A 6 7.282 6.951 -18.696 1.00 1.00 H new ATOM 0 HG2 GLN A 6 5.527 6.128 -20.471 1.00 1.00 H new ATOM 0 HG3 GLN A 6 6.456 7.061 -21.627 1.00 1.00 H new ATOM 0 HE21 GLN A 6 8.636 6.344 -22.178 1.00 1.00 H new ATOM 0 HE22 GLN A 6 9.220 4.754 -21.677 1.00 1.00 H new ATOM 97 N CYS A 7 5.661 8.022 -16.781 1.00 1.00 N ATOM 98 CA CYS A 7 5.112 7.517 -15.529 1.00 1.00 C ATOM 99 C CYS A 7 3.660 7.954 -15.364 1.00 1.00 C ATOM 100 O CYS A 7 2.799 7.156 -14.994 1.00 1.00 O ATOM 101 CB CYS A 7 5.939 8.033 -14.349 1.00 1.00 C ATOM 102 SG CYS A 7 7.466 7.073 -14.216 1.00 1.00 S ATOM 0 H CYS A 7 6.527 8.552 -16.683 1.00 1.00 H new ATOM 0 HA CYS A 7 5.151 6.428 -15.552 1.00 1.00 H new ATOM 0 HB2 CYS A 7 6.172 9.089 -14.488 1.00 1.00 H new ATOM 0 HB3 CYS A 7 5.365 7.952 -13.426 1.00 1.00 H new ATOM 0 HG CYS A 7 8.169 7.513 -13.215 1.00 1.00 H new ATOM 107 N ILE A 8 3.395 9.226 -15.644 1.00 1.00 N ATOM 108 CA ILE A 8 2.043 9.758 -15.528 1.00 1.00 C ATOM 109 C ILE A 8 1.147 9.194 -16.627 1.00 1.00 C ATOM 110 O ILE A 8 -0.005 8.841 -16.382 1.00 1.00 O ATOM 111 CB ILE A 8 2.072 11.285 -15.624 1.00 1.00 C ATOM 112 CG1 ILE A 8 2.840 11.854 -14.429 1.00 1.00 C ATOM 113 CG2 ILE A 8 0.641 11.825 -15.613 1.00 1.00 C ATOM 114 CD1 ILE A 8 3.250 13.298 -14.727 1.00 1.00 C ATOM 0 H ILE A 8 4.094 9.903 -15.951 1.00 1.00 H new ATOM 0 HA ILE A 8 1.639 9.462 -14.560 1.00 1.00 H new ATOM 0 HB ILE A 8 2.565 11.582 -16.550 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.219 11.818 -13.534 1.00 1.00 H new ATOM 0 HG13 ILE A 8 3.723 11.248 -14.229 1.00 1.00 H new ATOM 0 HG21 ILE A 8 0.662 12.913 -15.681 1.00 1.00 H new ATOM 0 HG22 ILE A 8 0.092 11.419 -16.463 1.00 1.00 H new ATOM 0 HG23 ILE A 8 0.148 11.529 -14.687 1.00 1.00 H new ATOM 0 HD11 ILE A 8 3.797 13.704 -13.876 1.00 1.00 H new ATOM 0 HD12 ILE A 8 3.886 13.320 -15.612 1.00 1.00 H new ATOM 0 HD13 ILE A 8 2.359 13.900 -14.906 1.00 1.00 H new ATOM 126 N ARG A 9 1.691 9.112 -17.838 1.00 1.00 N ATOM 127 CA ARG A 9 0.935 8.590 -18.970 1.00 1.00 C ATOM 128 C ARG A 9 0.623 7.110 -18.773 1.00 1.00 C ATOM 129 O ARG A 9 -0.424 6.624 -19.199 1.00 1.00 O ATOM 130 CB ARG A 9 1.735 8.777 -20.261 1.00 1.00 C ATOM 131 CG ARG A 9 1.041 9.813 -21.146 1.00 1.00 C ATOM 132 CD ARG A 9 1.838 10.000 -22.439 1.00 1.00 C ATOM 133 NE ARG A 9 1.201 9.279 -23.534 1.00 1.00 N ATOM 134 CZ ARG A 9 1.814 9.122 -24.701 1.00 1.00 C ATOM 135 NH1 ARG A 9 3.009 9.616 -24.882 1.00 1.00 N ATOM 136 NH2 ARG A 9 1.224 8.473 -25.668 1.00 1.00 N ATOM 0 H ARG A 9 2.645 9.398 -18.059 1.00 1.00 H new ATOM 0 HA ARG A 9 -0.004 9.140 -19.040 1.00 1.00 H new ATOM 0 HB2 ARG A 9 2.749 9.102 -20.029 1.00 1.00 H new ATOM 0 HB3 ARG A 9 1.818 7.828 -20.791 1.00 1.00 H new ATOM 0 HG2 ARG A 9 0.026 9.488 -21.376 1.00 1.00 H new ATOM 0 HG3 ARG A 9 0.960 10.762 -20.617 1.00 1.00 H new ATOM 0 HD2 ARG A 9 1.905 11.060 -22.683 1.00 1.00 H new ATOM 0 HD3 ARG A 9 2.857 9.639 -22.301 1.00 1.00 H new ATOM 0 HE ARG A 9 0.268 8.888 -23.401 1.00 1.00 H new ATOM 0 HH11 ARG A 9 3.471 10.122 -24.127 1.00 1.00 H new ATOM 0 HH12 ARG A 9 3.480 9.496 -25.779 1.00 1.00 H new ATOM 0 HH21 ARG A 9 0.291 8.086 -25.527 1.00 1.00 H new ATOM 0 HH22 ARG A 9 1.696 8.353 -26.564 1.00 1.00 H new ATOM 150 N GLU A 10 1.538 6.402 -18.119 1.00 1.00 N ATOM 151 CA GLU A 10 1.349 4.979 -17.866 1.00 1.00 C ATOM 152 C GLU A 10 0.273 4.765 -16.806 1.00 1.00 C ATOM 153 O GLU A 10 -0.637 3.954 -16.981 1.00 1.00 O ATOM 154 CB GLU A 10 2.663 4.353 -17.397 1.00 1.00 C ATOM 155 CG GLU A 10 3.608 4.196 -18.590 1.00 1.00 C ATOM 156 CD GLU A 10 3.439 2.815 -19.212 1.00 1.00 C ATOM 157 OE1 GLU A 10 2.354 2.534 -19.694 1.00 1.00 O ATOM 158 OE2 GLU A 10 4.396 2.059 -19.198 1.00 1.00 O ATOM 0 H GLU A 10 2.411 6.787 -17.757 1.00 1.00 H new ATOM 0 HA GLU A 10 1.032 4.501 -18.793 1.00 1.00 H new ATOM 0 HB2 GLU A 10 3.125 4.980 -16.634 1.00 1.00 H new ATOM 0 HB3 GLU A 10 2.473 3.382 -16.940 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.400 4.966 -19.333 1.00 1.00 H new ATOM 0 HG3 GLU A 10 4.640 4.335 -18.268 1.00 1.00 H new ATOM 165 N CYS A 11 0.388 5.498 -15.701 1.00 1.00 N ATOM 166 CA CYS A 11 -0.575 5.382 -14.613 1.00 1.00 C ATOM 167 C CYS A 11 -2.002 5.393 -15.154 1.00 1.00 C ATOM 168 O CYS A 11 -2.878 4.701 -14.636 1.00 1.00 O ATOM 169 CB CYS A 11 -0.392 6.538 -13.628 1.00 1.00 C ATOM 170 SG CYS A 11 -1.178 6.119 -12.052 1.00 1.00 S ATOM 0 H CYS A 11 1.134 6.174 -15.537 1.00 1.00 H new ATOM 0 HA CYS A 11 -0.401 4.436 -14.100 1.00 1.00 H new ATOM 0 HB2 CYS A 11 0.669 6.736 -13.476 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -0.831 7.449 -14.035 1.00 1.00 H new ATOM 0 HG CYS A 11 -1.021 7.101 -11.214 1.00 1.00 H new ATOM 175 N ARG A 12 -2.229 6.186 -16.198 1.00 1.00 N ATOM 176 CA ARG A 12 -3.555 6.278 -16.798 1.00 1.00 C ATOM 177 C ARG A 12 -3.916 4.977 -17.505 1.00 1.00 C ATOM 178 O ARG A 12 -5.026 4.468 -17.360 1.00 1.00 O ATOM 179 CB ARG A 12 -3.595 7.433 -17.800 1.00 1.00 C ATOM 180 CG ARG A 12 -5.027 7.959 -17.915 1.00 1.00 C ATOM 181 CD ARG A 12 -5.108 8.976 -19.055 1.00 1.00 C ATOM 182 NE ARG A 12 -4.982 8.301 -20.341 1.00 1.00 N ATOM 183 CZ ARG A 12 -4.889 8.993 -21.474 1.00 1.00 C ATOM 184 NH1 ARG A 12 -4.908 10.297 -21.446 1.00 1.00 N ATOM 185 NH2 ARG A 12 -4.777 8.366 -22.613 1.00 1.00 N ATOM 0 H ARG A 12 -1.519 6.768 -16.642 1.00 1.00 H new ATOM 0 HA ARG A 12 -4.280 6.459 -16.004 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -2.928 8.232 -17.477 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -3.241 7.096 -18.774 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -5.715 7.134 -18.100 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -5.331 8.423 -16.977 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -6.056 9.511 -19.008 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -4.317 9.719 -18.947 1.00 1.00 H new ATOM 0 HE ARG A 12 -4.965 7.282 -20.373 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -4.994 10.787 -20.555 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -4.837 10.827 -22.315 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -4.761 7.346 -22.634 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -4.706 8.896 -23.482 1.00 1.00 H new ATOM 199 N LEU A 13 -2.970 4.443 -18.271 1.00 1.00 N ATOM 200 CA LEU A 13 -3.200 3.199 -18.996 1.00 1.00 C ATOM 201 C LEU A 13 -3.323 2.029 -18.022 1.00 1.00 C ATOM 202 O LEU A 13 -4.111 1.110 -18.238 1.00 1.00 O ATOM 203 CB LEU A 13 -2.042 2.941 -19.969 1.00 1.00 C ATOM 204 CG LEU A 13 -2.355 1.725 -20.852 1.00 1.00 C ATOM 205 CD1 LEU A 13 -3.566 2.015 -21.745 1.00 1.00 C ATOM 206 CD2 LEU A 13 -1.142 1.418 -21.733 1.00 1.00 C ATOM 0 H LEU A 13 -2.044 4.849 -18.405 1.00 1.00 H new ATOM 0 HA LEU A 13 -4.131 3.290 -19.556 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -1.878 3.820 -20.592 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -1.121 2.768 -19.412 1.00 1.00 H new ATOM 0 HG LEU A 13 -2.581 0.871 -20.214 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -3.777 1.144 -22.366 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -4.433 2.235 -21.122 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -3.351 2.872 -22.383 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -1.359 0.555 -22.363 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -0.922 2.280 -22.363 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -0.280 1.200 -21.102 1.00 1.00 H new ATOM 218 N ALA A 14 -2.537 2.073 -16.952 1.00 1.00 N ATOM 219 CA ALA A 14 -2.567 1.013 -15.951 1.00 1.00 C ATOM 220 C ALA A 14 -3.842 1.095 -15.119 1.00 1.00 C ATOM 221 O ALA A 14 -4.319 0.089 -14.594 1.00 1.00 O ATOM 222 CB ALA A 14 -1.348 1.124 -15.034 1.00 1.00 C ATOM 0 H ALA A 14 -1.876 2.825 -16.756 1.00 1.00 H new ATOM 0 HA ALA A 14 -2.546 0.053 -16.467 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -1.379 0.328 -14.290 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -0.438 1.032 -15.626 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.357 2.091 -14.532 1.00 1.00 H new ATOM 228 N GLN A 15 -4.390 2.302 -15.004 1.00 1.00 N ATOM 229 CA GLN A 15 -5.612 2.503 -14.233 1.00 1.00 C ATOM 230 C GLN A 15 -6.784 1.783 -14.891 1.00 1.00 C ATOM 231 O GLN A 15 -7.722 1.358 -14.215 1.00 1.00 O ATOM 232 CB GLN A 15 -5.922 3.998 -14.126 1.00 1.00 C ATOM 233 CG GLN A 15 -7.124 4.205 -13.205 1.00 1.00 C ATOM 234 CD GLN A 15 -7.271 5.684 -12.863 1.00 1.00 C ATOM 235 OE1 GLN A 15 -7.348 6.524 -13.760 1.00 1.00 O ATOM 236 NE2 GLN A 15 -7.315 6.055 -11.613 1.00 1.00 N ATOM 0 H GLN A 15 -4.011 3.148 -15.431 1.00 1.00 H new ATOM 0 HA GLN A 15 -5.462 2.092 -13.235 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -5.056 4.533 -13.737 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -6.132 4.408 -15.114 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -8.031 3.844 -13.690 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -6.997 3.623 -12.292 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -7.251 5.358 -10.871 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -7.413 7.042 -11.377 1.00 1.00 H new ATOM 598 N ALA A 45 5.967 -10.156 -5.395 1.00 1.00 N ATOM 599 CA ALA A 45 7.308 -10.239 -5.955 1.00 1.00 C ATOM 600 C ALA A 45 8.191 -9.123 -5.402 1.00 1.00 C ATOM 601 O ALA A 45 9.400 -9.300 -5.247 1.00 1.00 O ATOM 602 CB ALA A 45 7.235 -10.131 -7.480 1.00 1.00 C ATOM 0 HA ALA A 45 7.744 -11.198 -5.676 1.00 1.00 H new ATOM 0 HB1 ALA A 45 8.240 -10.193 -7.898 1.00 1.00 H new ATOM 0 HB2 ALA A 45 6.627 -10.946 -7.874 1.00 1.00 H new ATOM 0 HB3 ALA A 45 6.786 -9.177 -7.756 1.00 1.00 H new ATOM 608 N ILE A 46 7.577 -7.979 -5.100 1.00 1.00 N ATOM 609 CA ILE A 46 8.315 -6.841 -4.553 1.00 1.00 C ATOM 610 C ILE A 46 7.752 -6.444 -3.190 1.00 1.00 C ATOM 611 O ILE A 46 8.449 -5.844 -2.371 1.00 1.00 O ATOM 612 CB ILE A 46 8.232 -5.646 -5.508 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.315 -5.993 -6.683 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.630 -5.313 -6.032 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.172 -4.772 -7.597 1.00 1.00 C ATOM 0 H ILE A 46 6.578 -7.816 -5.224 1.00 1.00 H new ATOM 0 HA ILE A 46 9.358 -7.135 -4.435 1.00 1.00 H new ATOM 0 HB ILE A 46 7.829 -4.784 -4.976 1.00 1.00 H new ATOM 0 HG12 ILE A 46 7.725 -6.833 -7.243 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.336 -6.302 -6.316 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.571 -4.463 -6.711 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.282 -5.064 -5.195 1.00 1.00 H new ATOM 0 HG23 ILE A 46 10.034 -6.175 -6.563 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.519 -5.019 -8.434 1.00 1.00 H new ATOM 0 HD12 ILE A 46 6.742 -3.944 -7.033 1.00 1.00 H new ATOM 0 HD13 ILE A 46 8.153 -4.483 -7.975 1.00 1.00 H new ATOM 627 N ALA A 47 6.488 -6.781 -2.957 1.00 1.00 N ATOM 628 CA ALA A 47 5.838 -6.453 -1.692 1.00 1.00 C ATOM 629 C ALA A 47 6.498 -7.199 -0.537 1.00 1.00 C ATOM 630 O ALA A 47 6.394 -6.787 0.620 1.00 1.00 O ATOM 631 CB ALA A 47 4.355 -6.822 -1.756 1.00 1.00 C ATOM 0 H ALA A 47 5.896 -7.278 -3.622 1.00 1.00 H new ATOM 0 HA ALA A 47 5.941 -5.381 -1.522 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.877 -6.574 -0.808 1.00 1.00 H new ATOM 0 HB2 ALA A 47 3.876 -6.264 -2.561 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.254 -7.891 -1.945 1.00 1.00 H new ATOM 637 N ASN A 48 7.179 -8.294 -0.854 1.00 1.00 N ATOM 638 CA ASN A 48 7.852 -9.084 0.170 1.00 1.00 C ATOM 639 C ASN A 48 9.215 -8.482 0.486 1.00 1.00 C ATOM 640 O ASN A 48 9.750 -8.667 1.579 1.00 1.00 O ATOM 641 CB ASN A 48 8.027 -10.526 -0.311 1.00 1.00 C ATOM 642 CG ASN A 48 7.918 -11.487 0.869 1.00 1.00 C ATOM 643 OD1 ASN A 48 8.933 -11.890 1.437 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.740 -11.880 1.271 1.00 1.00 N ATOM 0 H ASN A 48 7.280 -8.653 -1.804 1.00 1.00 H new ATOM 0 HA ASN A 48 7.241 -9.078 1.073 1.00 1.00 H new ATOM 0 HB2 ASN A 48 7.268 -10.764 -1.056 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.996 -10.641 -0.796 1.00 1.00 H new ATOM 0 HD21 ASN A 48 6.658 -12.523 2.058 1.00 1.00 H new ATOM 0 HD22 ASN A 48 5.901 -11.544 0.798 1.00 1.00 H new ATOM 651 N PHE A 49 9.768 -7.758 -0.480 1.00 1.00 N ATOM 652 CA PHE A 49 11.067 -7.124 -0.301 1.00 1.00 C ATOM 653 C PHE A 49 10.955 -5.951 0.666 1.00 1.00 C ATOM 654 O PHE A 49 11.955 -5.327 1.021 1.00 1.00 O ATOM 655 CB PHE A 49 11.596 -6.638 -1.652 1.00 1.00 C ATOM 656 CG PHE A 49 12.787 -7.474 -2.060 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.681 -8.870 -2.098 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.997 -6.854 -2.393 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.785 -9.646 -2.470 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.102 -7.630 -2.766 1.00 1.00 C ATOM 661 CZ PHE A 49 14.996 -9.026 -2.805 1.00 1.00 C ATOM 0 H PHE A 49 9.339 -7.596 -1.391 1.00 1.00 H new ATOM 0 HA PHE A 49 11.761 -7.854 0.115 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.813 -6.709 -2.407 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.881 -5.588 -1.586 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.747 -9.348 -1.840 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.079 -5.778 -2.362 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.703 -10.723 -2.499 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.036 -7.152 -3.023 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.848 -9.624 -3.093 1.00 1.00 H new ATOM 671 N LEU A 50 9.728 -5.664 1.093 1.00 1.00 N ATOM 672 CA LEU A 50 9.477 -4.570 2.027 1.00 1.00 C ATOM 673 C LEU A 50 8.927 -5.120 3.341 1.00 1.00 C ATOM 674 O LEU A 50 7.801 -5.614 3.398 1.00 1.00 O ATOM 675 CB LEU A 50 8.474 -3.582 1.419 1.00 1.00 C ATOM 676 CG LEU A 50 9.181 -2.662 0.413 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.342 -2.559 -0.862 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.341 -1.267 1.022 1.00 1.00 C ATOM 0 H LEU A 50 8.892 -6.174 0.807 1.00 1.00 H new ATOM 0 HA LEU A 50 10.416 -4.052 2.223 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.671 -4.127 0.923 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.015 -2.986 2.208 1.00 1.00 H new ATOM 0 HG LEU A 50 10.162 -3.074 0.175 1.00 1.00 H new ATOM 0 HD11 LEU A 50 8.844 -1.906 -1.576 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.221 -3.550 -1.299 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.362 -2.147 -0.620 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.843 -0.614 0.308 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.359 -0.859 1.259 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.936 -1.334 1.933 1.00 1.00 H new ATOM 690 N GLU A 51 9.735 -5.032 4.394 1.00 1.00 N ATOM 691 CA GLU A 51 9.333 -5.525 5.710 1.00 1.00 C ATOM 692 C GLU A 51 7.956 -4.976 6.096 1.00 1.00 C ATOM 693 O GLU A 51 7.556 -3.911 5.627 1.00 1.00 O ATOM 694 CB GLU A 51 10.373 -5.092 6.751 1.00 1.00 C ATOM 695 CG GLU A 51 11.511 -6.117 6.814 1.00 1.00 C ATOM 696 CD GLU A 51 11.228 -7.145 7.905 1.00 1.00 C ATOM 697 OE1 GLU A 51 11.213 -6.761 9.062 1.00 1.00 O ATOM 698 OE2 GLU A 51 11.044 -8.303 7.567 1.00 1.00 O ATOM 0 H GLU A 51 10.670 -4.625 4.363 1.00 1.00 H new ATOM 0 HA GLU A 51 9.273 -6.613 5.676 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.771 -4.110 6.493 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.903 -4.998 7.730 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.615 -6.616 5.851 1.00 1.00 H new ATOM 0 HG3 GLU A 51 12.456 -5.612 7.015 1.00 1.00 H new ATOM 705 N PRO A 52 7.226 -5.674 6.939 1.00 1.00 N ATOM 706 CA PRO A 52 5.869 -5.230 7.384 1.00 1.00 C ATOM 707 C PRO A 52 5.902 -3.864 8.069 1.00 1.00 C ATOM 708 O PRO A 52 5.176 -2.949 7.680 1.00 1.00 O ATOM 709 CB PRO A 52 5.411 -6.320 8.363 1.00 1.00 C ATOM 710 CG PRO A 52 6.641 -7.080 8.734 1.00 1.00 C ATOM 711 CD PRO A 52 7.602 -6.955 7.556 1.00 1.00 C ATOM 0 HA PRO A 52 5.192 -5.108 6.538 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.942 -5.882 9.244 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.672 -6.975 7.901 1.00 1.00 H new ATOM 0 HG2 PRO A 52 7.087 -6.676 9.643 1.00 1.00 H new ATOM 0 HG3 PRO A 52 6.405 -8.126 8.933 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.641 -6.952 7.885 1.00 1.00 H new ATOM 0 HD3 PRO A 52 7.491 -7.785 6.858 1.00 1.00 H new ATOM 719 N GLN A 53 6.750 -3.732 9.085 1.00 1.00 N ATOM 720 CA GLN A 53 6.862 -2.468 9.806 1.00 1.00 C ATOM 721 C GLN A 53 7.309 -1.366 8.853 1.00 1.00 C ATOM 722 O GLN A 53 6.745 -0.270 8.839 1.00 1.00 O ATOM 723 CB GLN A 53 7.871 -2.603 10.948 1.00 1.00 C ATOM 724 CG GLN A 53 7.666 -3.948 11.651 1.00 1.00 C ATOM 725 CD GLN A 53 8.219 -3.883 13.071 1.00 1.00 C ATOM 726 OE1 GLN A 53 9.319 -4.372 13.331 1.00 1.00 O ATOM 727 NE2 GLN A 53 7.518 -3.310 14.010 1.00 1.00 N ATOM 0 H GLN A 53 7.362 -4.474 9.424 1.00 1.00 H new ATOM 0 HA GLN A 53 5.887 -2.211 10.221 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.887 -2.534 10.560 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.745 -1.786 11.658 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.605 -4.197 11.676 1.00 1.00 H new ATOM 0 HG3 GLN A 53 8.166 -4.740 11.093 1.00 1.00 H new ATOM 0 HE21 GLN A 53 6.607 -2.906 13.792 1.00 1.00 H new ATOM 0 HE22 GLN A 53 7.881 -3.266 14.962 1.00 1.00 H new ATOM 736 N ALA A 54 8.317 -1.672 8.046 1.00 1.00 N ATOM 737 CA ALA A 54 8.826 -0.711 7.079 1.00 1.00 C ATOM 738 C ALA A 54 7.722 -0.327 6.107 1.00 1.00 C ATOM 739 O ALA A 54 7.704 0.781 5.572 1.00 1.00 O ATOM 740 CB ALA A 54 10.002 -1.311 6.309 1.00 1.00 C ATOM 0 H ALA A 54 8.795 -2.573 8.042 1.00 1.00 H new ATOM 0 HA ALA A 54 9.166 0.178 7.611 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.375 -0.583 5.588 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.798 -1.572 7.006 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.673 -2.207 5.782 1.00 1.00 H new ATOM 746 N LEU A 55 6.799 -1.253 5.886 1.00 1.00 N ATOM 747 CA LEU A 55 5.686 -1.004 4.977 1.00 1.00 C ATOM 748 C LEU A 55 4.873 0.193 5.461 1.00 1.00 C ATOM 749 O LEU A 55 4.447 1.034 4.666 1.00 1.00 O ATOM 750 CB LEU A 55 4.788 -2.239 4.895 1.00 1.00 C ATOM 751 CG LEU A 55 4.464 -2.538 3.430 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.545 -3.759 3.349 1.00 1.00 C ATOM 753 CD2 LEU A 55 3.760 -1.331 2.806 1.00 1.00 C ATOM 0 H LEU A 55 6.797 -2.176 6.319 1.00 1.00 H new ATOM 0 HA LEU A 55 6.085 -0.787 3.986 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.286 -3.095 5.350 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.868 -2.071 5.455 1.00 1.00 H new ATOM 0 HG LEU A 55 5.388 -2.741 2.889 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.314 -3.972 2.305 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.044 -4.620 3.793 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.621 -3.556 3.891 1.00 1.00 H new ATOM 0 HD21 LEU A 55 3.529 -1.544 1.762 1.00 1.00 H new ATOM 0 HD22 LEU A 55 2.836 -1.128 3.348 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.413 -0.460 2.863 1.00 1.00 H new ATOM 765 N GLU A 56 4.666 0.264 6.772 1.00 1.00 N ATOM 766 CA GLU A 56 3.908 1.362 7.357 1.00 1.00 C ATOM 767 C GLU A 56 4.598 2.692 7.080 1.00 1.00 C ATOM 768 O GLU A 56 3.939 3.700 6.825 1.00 1.00 O ATOM 769 CB GLU A 56 3.776 1.158 8.869 1.00 1.00 C ATOM 770 CG GLU A 56 2.700 2.095 9.418 1.00 1.00 C ATOM 771 CD GLU A 56 1.323 1.462 9.256 1.00 1.00 C ATOM 772 OE1 GLU A 56 0.967 0.645 10.090 1.00 1.00 O ATOM 773 OE2 GLU A 56 0.645 1.800 8.300 1.00 1.00 O ATOM 0 H GLU A 56 5.010 -0.421 7.445 1.00 1.00 H new ATOM 0 HA GLU A 56 2.916 1.378 6.905 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.516 0.122 9.086 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.730 1.356 9.358 1.00 1.00 H new ATOM 0 HG2 GLU A 56 2.891 2.304 10.471 1.00 1.00 H new ATOM 0 HG3 GLU A 56 2.735 3.049 8.892 1.00 1.00 H new ATOM 780 N ARG A 57 5.926 2.690 7.133 1.00 1.00 N ATOM 781 CA ARG A 57 6.688 3.905 6.887 1.00 1.00 C ATOM 782 C ARG A 57 6.386 4.455 5.500 1.00 1.00 C ATOM 783 O ARG A 57 6.193 5.656 5.336 1.00 1.00 O ATOM 784 CB ARG A 57 8.188 3.613 7.016 1.00 1.00 C ATOM 785 CG ARG A 57 9.006 4.895 6.803 1.00 1.00 C ATOM 786 CD ARG A 57 8.659 5.924 7.883 1.00 1.00 C ATOM 787 NE ARG A 57 7.706 6.901 7.370 1.00 1.00 N ATOM 788 CZ ARG A 57 7.613 8.115 7.903 1.00 1.00 C ATOM 789 NH1 ARG A 57 8.394 8.457 8.890 1.00 1.00 N ATOM 790 NH2 ARG A 57 6.741 8.967 7.434 1.00 1.00 N ATOM 0 H ARG A 57 6.491 1.867 7.342 1.00 1.00 H new ATOM 0 HA ARG A 57 6.400 4.652 7.627 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.400 3.199 8.002 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.482 2.861 6.284 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.071 4.666 6.836 1.00 1.00 H new ATOM 0 HG3 ARG A 57 8.799 5.308 5.816 1.00 1.00 H new ATOM 0 HD2 ARG A 57 8.239 5.419 8.753 1.00 1.00 H new ATOM 0 HD3 ARG A 57 9.565 6.431 8.215 1.00 1.00 H new ATOM 0 HE ARG A 57 7.101 6.649 6.589 1.00 1.00 H new ATOM 0 HH11 ARG A 57 9.077 7.793 9.254 1.00 1.00 H new ATOM 0 HH12 ARG A 57 8.322 9.389 9.298 1.00 1.00 H new ATOM 0 HH21 ARG A 57 6.133 8.700 6.660 1.00 1.00 H new ATOM 0 HH22 ARG A 57 6.668 9.899 7.842 1.00 1.00 H new ATOM 804 N LEU A 58 6.343 3.578 4.505 1.00 1.00 N ATOM 805 CA LEU A 58 6.057 4.014 3.145 1.00 1.00 C ATOM 806 C LEU A 58 4.732 4.762 3.115 1.00 1.00 C ATOM 807 O LEU A 58 4.612 5.841 2.541 1.00 1.00 O ATOM 808 CB LEU A 58 5.973 2.806 2.217 1.00 1.00 C ATOM 809 CG LEU A 58 6.398 3.191 0.795 1.00 1.00 C ATOM 810 CD1 LEU A 58 5.611 4.411 0.306 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.899 3.503 0.751 1.00 1.00 C ATOM 0 H LEU A 58 6.500 2.576 4.611 1.00 1.00 H new ATOM 0 HA LEU A 58 6.858 4.673 2.809 1.00 1.00 H new ATOM 0 HB2 LEU A 58 6.614 2.007 2.591 1.00 1.00 H new ATOM 0 HB3 LEU A 58 4.954 2.418 2.206 1.00 1.00 H new ATOM 0 HG LEU A 58 6.186 2.346 0.141 1.00 1.00 H new ATOM 0 HD11 LEU A 58 5.928 4.667 -0.705 1.00 1.00 H new ATOM 0 HD12 LEU A 58 4.546 4.180 0.305 1.00 1.00 H new ATOM 0 HD13 LEU A 58 5.798 5.255 0.970 1.00 1.00 H new ATOM 0 HD21 LEU A 58 8.185 3.774 -0.265 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.118 4.333 1.423 1.00 1.00 H new ATOM 0 HD23 LEU A 58 8.463 2.624 1.064 1.00 1.00 H new ATOM 823 N SER A 59 3.728 4.174 3.734 1.00 1.00 N ATOM 824 CA SER A 59 2.420 4.804 3.779 1.00 1.00 C ATOM 825 C SER A 59 2.485 6.098 4.589 1.00 1.00 C ATOM 826 O SER A 59 1.855 7.095 4.236 1.00 1.00 O ATOM 827 CB SER A 59 1.398 3.865 4.411 1.00 1.00 C ATOM 828 OG SER A 59 1.121 2.796 3.516 1.00 1.00 O ATOM 0 H SER A 59 3.788 3.273 4.208 1.00 1.00 H new ATOM 0 HA SER A 59 2.115 5.031 2.757 1.00 1.00 H new ATOM 0 HB2 SER A 59 1.781 3.474 5.354 1.00 1.00 H new ATOM 0 HB3 SER A 59 0.481 4.409 4.640 1.00 1.00 H new ATOM 0 HG SER A 59 0.466 2.191 3.922 1.00 1.00 H new ATOM 834 N ARG A 60 3.243 6.069 5.686 1.00 1.00 N ATOM 835 CA ARG A 60 3.372 7.241 6.547 1.00 1.00 C ATOM 836 C ARG A 60 4.113 8.375 5.842 1.00 1.00 C ATOM 837 O ARG A 60 3.675 9.525 5.877 1.00 1.00 O ATOM 838 CB ARG A 60 4.123 6.861 7.826 1.00 1.00 C ATOM 839 CG ARG A 60 3.799 7.864 8.936 1.00 1.00 C ATOM 840 CD ARG A 60 2.700 7.294 9.836 1.00 1.00 C ATOM 841 NE ARG A 60 1.500 7.018 9.055 1.00 1.00 N ATOM 842 CZ ARG A 60 0.583 7.957 8.845 1.00 1.00 C ATOM 843 NH1 ARG A 60 0.750 9.155 9.337 1.00 1.00 N ATOM 844 NH2 ARG A 60 -0.483 7.684 8.143 1.00 1.00 N ATOM 0 H ARG A 60 3.772 5.254 5.996 1.00 1.00 H new ATOM 0 HA ARG A 60 2.369 7.590 6.791 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.841 5.855 8.139 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.197 6.847 7.638 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.693 8.073 9.524 1.00 1.00 H new ATOM 0 HG3 ARG A 60 3.474 8.810 8.502 1.00 1.00 H new ATOM 0 HD2 ARG A 60 3.050 6.379 10.314 1.00 1.00 H new ATOM 0 HD3 ARG A 60 2.469 8.001 10.633 1.00 1.00 H new ATOM 0 HE ARG A 60 1.362 6.087 8.662 1.00 1.00 H new ATOM 0 HH11 ARG A 60 1.584 9.370 9.883 1.00 1.00 H new ATOM 0 HH12 ARG A 60 0.046 9.875 9.176 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -0.613 6.750 7.755 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -1.186 8.405 7.982 1.00 1.00 H new ATOM 858 N VAL A 61 5.234 8.055 5.203 1.00 1.00 N ATOM 859 CA VAL A 61 6.009 9.067 4.494 1.00 1.00 C ATOM 860 C VAL A 61 5.264 9.524 3.241 1.00 1.00 C ATOM 861 O VAL A 61 5.126 10.720 2.989 1.00 1.00 O ATOM 862 CB VAL A 61 7.395 8.517 4.132 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.260 7.447 3.061 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.283 9.653 3.617 1.00 1.00 C ATOM 0 H VAL A 61 5.623 7.113 5.161 1.00 1.00 H new ATOM 0 HA VAL A 61 6.142 9.930 5.147 1.00 1.00 H new ATOM 0 HB VAL A 61 7.850 8.079 5.021 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.247 7.060 2.807 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.636 6.635 3.435 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.800 7.878 2.172 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.266 9.259 3.361 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.828 10.097 2.732 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.387 10.413 4.391 1.00 1.00 H new ATOM 874 N ALA A 62 4.794 8.562 2.454 1.00 1.00 N ATOM 875 CA ALA A 62 4.074 8.873 1.223 1.00 1.00 C ATOM 876 C ALA A 62 2.851 9.742 1.501 1.00 1.00 C ATOM 877 O ALA A 62 2.142 10.140 0.577 1.00 1.00 O ATOM 878 CB ALA A 62 3.632 7.582 0.532 1.00 1.00 C ATOM 0 H ALA A 62 4.898 7.565 2.644 1.00 1.00 H new ATOM 0 HA ALA A 62 4.751 9.426 0.572 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.096 7.825 -0.385 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.508 6.980 0.291 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.977 7.019 1.197 1.00 1.00 H new ATOM 884 N LEU A 63 2.607 10.038 2.772 1.00 1.00 N ATOM 885 CA LEU A 63 1.464 10.867 3.136 1.00 1.00 C ATOM 886 C LEU A 63 1.902 12.312 3.334 1.00 1.00 C ATOM 887 O LEU A 63 1.097 13.236 3.215 1.00 1.00 O ATOM 888 CB LEU A 63 0.819 10.350 4.423 1.00 1.00 C ATOM 889 CG LEU A 63 -0.404 9.495 4.078 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.763 8.615 5.277 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.590 10.403 3.744 1.00 1.00 C ATOM 0 H LEU A 63 3.176 9.722 3.558 1.00 1.00 H new ATOM 0 HA LEU A 63 0.735 10.820 2.327 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.539 9.760 4.991 1.00 1.00 H new ATOM 0 HB3 LEU A 63 0.523 11.187 5.055 1.00 1.00 H new ATOM 0 HG LEU A 63 -0.174 8.867 3.217 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.633 8.006 5.033 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.079 7.966 5.517 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -0.991 9.246 6.136 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.459 9.792 3.499 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -1.820 11.032 4.604 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.337 11.033 2.891 1.00 1.00 H new ATOM 903 N VAL A 64 3.183 12.496 3.640 1.00 1.00 N ATOM 904 CA VAL A 64 3.719 13.833 3.859 1.00 1.00 C ATOM 905 C VAL A 64 4.537 14.298 2.654 1.00 1.00 C ATOM 906 O VAL A 64 4.350 15.411 2.165 1.00 1.00 O ATOM 907 CB VAL A 64 4.592 13.856 5.116 1.00 1.00 C ATOM 908 CG1 VAL A 64 3.708 14.059 6.348 1.00 1.00 C ATOM 909 CG2 VAL A 64 5.356 12.536 5.254 1.00 1.00 C ATOM 0 H VAL A 64 3.863 11.743 3.741 1.00 1.00 H new ATOM 0 HA VAL A 64 2.879 14.515 3.993 1.00 1.00 H new ATOM 0 HB VAL A 64 5.307 14.675 5.034 1.00 1.00 H new ATOM 0 HG11 VAL A 64 4.330 14.075 7.243 1.00 1.00 H new ATOM 0 HG12 VAL A 64 3.173 15.005 6.260 1.00 1.00 H new ATOM 0 HG13 VAL A 64 2.990 13.242 6.420 1.00 1.00 H new ATOM 0 HG21 VAL A 64 5.973 12.565 6.152 1.00 1.00 H new ATOM 0 HG22 VAL A 64 4.647 11.711 5.327 1.00 1.00 H new ATOM 0 HG23 VAL A 64 5.992 12.391 4.381 1.00 1.00 H new ATOM 919 N ARG A 65 5.440 13.441 2.180 1.00 1.00 N ATOM 920 CA ARG A 65 6.277 13.785 1.030 1.00 1.00 C ATOM 921 C ARG A 65 6.345 12.625 0.042 1.00 1.00 C ATOM 922 O ARG A 65 7.256 11.801 0.099 1.00 1.00 O ATOM 923 CB ARG A 65 7.692 14.135 1.490 1.00 1.00 C ATOM 924 CG ARG A 65 7.661 15.386 2.375 1.00 1.00 C ATOM 925 CD ARG A 65 8.085 15.017 3.796 1.00 1.00 C ATOM 926 NE ARG A 65 7.926 16.163 4.683 1.00 1.00 N ATOM 927 CZ ARG A 65 8.818 17.148 4.701 1.00 1.00 C ATOM 928 NH1 ARG A 65 9.861 17.098 3.917 1.00 1.00 N ATOM 929 NH2 ARG A 65 8.651 18.165 5.500 1.00 1.00 N ATOM 0 H ARG A 65 5.610 12.513 2.569 1.00 1.00 H new ATOM 0 HA ARG A 65 5.829 14.647 0.536 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.121 13.299 2.043 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.332 14.307 0.625 1.00 1.00 H new ATOM 0 HG2 ARG A 65 8.329 16.147 1.971 1.00 1.00 H new ATOM 0 HG3 ARG A 65 6.659 15.814 2.383 1.00 1.00 H new ATOM 0 HD2 ARG A 65 7.484 14.182 4.157 1.00 1.00 H new ATOM 0 HD3 ARG A 65 9.124 14.687 3.799 1.00 1.00 H new ATOM 0 HE ARG A 65 7.116 16.210 5.301 1.00 1.00 H new ATOM 0 HH11 ARG A 65 9.991 16.303 3.291 1.00 1.00 H new ATOM 0 HH12 ARG A 65 10.546 17.854 3.930 1.00 1.00 H new ATOM 0 HH21 ARG A 65 7.836 18.205 6.111 1.00 1.00 H new ATOM 0 HH22 ARG A 65 9.336 18.921 5.514 1.00 1.00 H new ATOM 943 N ARG A 66 5.379 12.574 -0.866 1.00 1.00 N ATOM 944 CA ARG A 66 5.340 11.514 -1.869 1.00 1.00 C ATOM 945 C ARG A 66 6.594 11.543 -2.739 1.00 1.00 C ATOM 946 O ARG A 66 7.054 10.505 -3.212 1.00 1.00 O ATOM 947 CB ARG A 66 4.101 11.679 -2.752 1.00 1.00 C ATOM 948 CG ARG A 66 4.111 10.614 -3.850 1.00 1.00 C ATOM 949 CD ARG A 66 2.690 10.409 -4.376 1.00 1.00 C ATOM 950 NE ARG A 66 1.885 9.694 -3.391 1.00 1.00 N ATOM 951 CZ ARG A 66 0.559 9.785 -3.390 1.00 1.00 C ATOM 952 NH1 ARG A 66 -0.045 10.522 -4.281 1.00 1.00 N ATOM 953 NH2 ARG A 66 -0.139 9.135 -2.499 1.00 1.00 N ATOM 0 H ARG A 66 4.616 13.248 -0.930 1.00 1.00 H new ATOM 0 HA ARG A 66 5.297 10.555 -1.352 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.197 11.587 -2.150 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.088 12.674 -3.196 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.770 10.920 -4.662 1.00 1.00 H new ATOM 0 HG3 ARG A 66 4.504 9.676 -3.458 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.234 11.374 -4.597 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.718 9.848 -5.310 1.00 1.00 H new ATOM 0 HE ARG A 66 2.348 9.114 -2.691 1.00 1.00 H new ATOM 0 HH11 ARG A 66 0.500 11.028 -4.978 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -1.063 10.592 -4.280 1.00 1.00 H new ATOM 0 HH21 ARG A 66 0.333 8.557 -1.804 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -1.157 9.205 -2.498 1.00 1.00 H new ATOM 967 N ASP A 67 7.131 12.737 -2.960 1.00 1.00 N ATOM 968 CA ASP A 67 8.321 12.889 -3.792 1.00 1.00 C ATOM 969 C ASP A 67 9.478 12.047 -3.263 1.00 1.00 C ATOM 970 O ASP A 67 10.145 11.343 -4.023 1.00 1.00 O ATOM 971 CB ASP A 67 8.741 14.359 -3.837 1.00 1.00 C ATOM 972 CG ASP A 67 8.221 15.011 -5.113 1.00 1.00 C ATOM 973 OD1 ASP A 67 7.123 14.672 -5.523 1.00 1.00 O ATOM 974 OD2 ASP A 67 8.928 15.840 -5.663 1.00 1.00 O ATOM 0 H ASP A 67 6.765 13.609 -2.578 1.00 1.00 H new ATOM 0 HA ASP A 67 8.074 12.544 -4.796 1.00 1.00 H new ATOM 0 HB2 ASP A 67 8.351 14.884 -2.965 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.827 14.437 -3.796 1.00 1.00 H new ATOM 979 N ARG A 68 9.711 12.118 -1.956 1.00 1.00 N ATOM 980 CA ARG A 68 10.788 11.356 -1.342 1.00 1.00 C ATOM 981 C ARG A 68 10.442 9.872 -1.313 1.00 1.00 C ATOM 982 O ARG A 68 11.308 9.015 -1.489 1.00 1.00 O ATOM 983 CB ARG A 68 11.026 11.859 0.080 1.00 1.00 C ATOM 984 CG ARG A 68 11.220 13.375 0.060 1.00 1.00 C ATOM 985 CD ARG A 68 11.367 13.891 1.493 1.00 1.00 C ATOM 986 NE ARG A 68 11.661 15.320 1.488 1.00 1.00 N ATOM 987 CZ ARG A 68 12.265 15.900 2.520 1.00 1.00 C ATOM 988 NH1 ARG A 68 12.610 15.191 3.558 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.517 17.181 2.492 1.00 1.00 N ATOM 0 H ARG A 68 9.172 12.692 -1.307 1.00 1.00 H new ATOM 0 HA ARG A 68 11.694 11.491 -1.932 1.00 1.00 H new ATOM 0 HB2 ARG A 68 10.180 11.599 0.715 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.905 11.375 0.506 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.105 13.631 -0.522 1.00 1.00 H new ATOM 0 HG3 ARG A 68 10.370 13.855 -0.425 1.00 1.00 H new ATOM 0 HD2 ARG A 68 10.449 13.703 2.050 1.00 1.00 H new ATOM 0 HD3 ARG A 68 12.165 13.350 2.002 1.00 1.00 H new ATOM 0 HE ARG A 68 11.399 15.883 0.679 1.00 1.00 H new ATOM 0 HH11 ARG A 68 12.416 14.190 3.579 1.00 1.00 H new ATOM 0 HH12 ARG A 68 13.074 15.637 4.349 1.00 1.00 H new ATOM 0 HH21 ARG A 68 12.250 17.736 1.679 1.00 1.00 H new ATOM 0 HH22 ARG A 68 12.981 17.627 3.284 1.00 1.00 H new ATOM 1003 N ALA A 69 9.165 9.580 -1.092 1.00 1.00 N ATOM 1004 CA ALA A 69 8.696 8.199 -1.041 1.00 1.00 C ATOM 1005 C ALA A 69 8.835 7.527 -2.401 1.00 1.00 C ATOM 1006 O ALA A 69 8.982 6.307 -2.491 1.00 1.00 O ATOM 1007 CB ALA A 69 7.223 8.173 -0.634 1.00 1.00 C ATOM 0 H ALA A 69 8.437 10.279 -0.945 1.00 1.00 H new ATOM 0 HA ALA A 69 9.303 7.661 -0.313 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.874 7.141 -0.596 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.109 8.631 0.349 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.634 8.729 -1.364 1.00 1.00 H new ATOM 1013 N GLN A 70 8.769 8.330 -3.452 1.00 1.00 N ATOM 1014 CA GLN A 70 8.868 7.809 -4.810 1.00 1.00 C ATOM 1015 C GLN A 70 10.302 7.422 -5.142 1.00 1.00 C ATOM 1016 O GLN A 70 10.546 6.416 -5.808 1.00 1.00 O ATOM 1017 CB GLN A 70 8.375 8.868 -5.797 1.00 1.00 C ATOM 1018 CG GLN A 70 7.439 8.227 -6.820 1.00 1.00 C ATOM 1019 CD GLN A 70 8.200 7.198 -7.649 1.00 1.00 C ATOM 1020 OE1 GLN A 70 7.604 6.258 -8.174 1.00 1.00 O ATOM 1021 NE2 GLN A 70 9.492 7.318 -7.796 1.00 1.00 N ATOM 0 H GLN A 70 8.648 9.341 -3.393 1.00 1.00 H new ATOM 0 HA GLN A 70 8.248 6.916 -4.886 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.855 9.662 -5.262 1.00 1.00 H new ATOM 0 HB3 GLN A 70 9.223 9.328 -6.305 1.00 1.00 H new ATOM 0 HG2 GLN A 70 6.602 7.749 -6.310 1.00 1.00 H new ATOM 0 HG3 GLN A 70 7.020 8.993 -7.472 1.00 1.00 H new ATOM 0 HE21 GLN A 70 9.985 8.098 -7.360 1.00 1.00 H new ATOM 0 HE22 GLN A 70 10.009 6.632 -8.347 1.00 1.00 H new ATOM 1030 N ALA A 71 11.244 8.226 -4.675 1.00 1.00 N ATOM 1031 CA ALA A 71 12.653 7.960 -4.930 1.00 1.00 C ATOM 1032 C ALA A 71 13.080 6.654 -4.264 1.00 1.00 C ATOM 1033 O ALA A 71 13.815 5.860 -4.853 1.00 1.00 O ATOM 1034 CB ALA A 71 13.494 9.118 -4.401 1.00 1.00 C ATOM 0 H ALA A 71 11.062 9.063 -4.121 1.00 1.00 H new ATOM 0 HA ALA A 71 12.806 7.863 -6.005 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.549 8.919 -4.592 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.202 10.040 -4.904 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.333 9.224 -3.328 1.00 1.00 H new ATOM 1040 N VAL A 72 12.607 6.427 -3.041 1.00 1.00 N ATOM 1041 CA VAL A 72 12.942 5.203 -2.317 1.00 1.00 C ATOM 1042 C VAL A 72 12.436 3.991 -3.089 1.00 1.00 C ATOM 1043 O VAL A 72 13.164 3.023 -3.301 1.00 1.00 O ATOM 1044 CB VAL A 72 12.306 5.220 -0.925 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.888 4.086 -0.078 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.595 6.558 -0.243 1.00 1.00 C ATOM 0 H VAL A 72 11.996 7.068 -2.534 1.00 1.00 H new ATOM 0 HA VAL A 72 14.026 5.144 -2.214 1.00 1.00 H new ATOM 0 HB VAL A 72 11.229 5.086 -1.023 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.433 4.101 0.912 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.680 3.130 -0.558 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.966 4.218 0.016 1.00 1.00 H new ATOM 0 HG21 VAL A 72 12.141 6.567 0.748 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.672 6.693 -0.150 1.00 1.00 H new ATOM 0 HG23 VAL A 72 12.178 7.369 -0.841 1.00 1.00 H new ATOM 1056 N GLU A 73 11.182 4.060 -3.503 1.00 1.00 N ATOM 1057 CA GLU A 73 10.570 2.970 -4.255 1.00 1.00 C ATOM 1058 C GLU A 73 11.364 2.696 -5.529 1.00 1.00 C ATOM 1059 O GLU A 73 11.480 1.553 -5.968 1.00 1.00 O ATOM 1060 CB GLU A 73 9.128 3.331 -4.620 1.00 1.00 C ATOM 1061 CG GLU A 73 8.166 2.342 -3.956 1.00 1.00 C ATOM 1062 CD GLU A 73 8.394 0.938 -4.506 1.00 1.00 C ATOM 1063 OE1 GLU A 73 8.148 0.737 -5.685 1.00 1.00 O ATOM 1064 OE2 GLU A 73 8.821 0.087 -3.744 1.00 1.00 O ATOM 0 H GLU A 73 10.567 4.856 -3.333 1.00 1.00 H new ATOM 0 HA GLU A 73 10.572 2.075 -3.633 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.903 4.347 -4.294 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.000 3.308 -5.702 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.316 2.347 -2.876 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.136 2.649 -4.136 1.00 1.00 H new ATOM 1071 N THR A 74 11.908 3.758 -6.113 1.00 1.00 N ATOM 1072 CA THR A 74 12.692 3.629 -7.336 1.00 1.00 C ATOM 1073 C THR A 74 14.059 3.021 -7.033 1.00 1.00 C ATOM 1074 O THR A 74 14.582 2.226 -7.812 1.00 1.00 O ATOM 1075 CB THR A 74 12.874 5.001 -7.990 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.701 5.337 -8.716 1.00 1.00 O ATOM 1077 CG2 THR A 74 14.073 4.961 -8.940 1.00 1.00 C ATOM 0 H THR A 74 11.822 4.712 -5.762 1.00 1.00 H new ATOM 0 HA THR A 74 12.157 2.971 -8.020 1.00 1.00 H new ATOM 0 HB THR A 74 13.051 5.751 -7.219 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.815 6.216 -9.134 1.00 1.00 H new ATOM 0 HG21 THR A 74 14.202 5.938 -9.405 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.972 4.704 -8.380 1.00 1.00 H new ATOM 0 HG23 THR A 74 13.900 4.212 -9.712 1.00 1.00 H new ATOM 1085 N TYR A 75 14.626 3.399 -5.892 1.00 1.00 N ATOM 1086 CA TYR A 75 15.930 2.883 -5.490 1.00 1.00 C ATOM 1087 C TYR A 75 15.910 1.358 -5.460 1.00 1.00 C ATOM 1088 O TYR A 75 16.802 0.701 -5.996 1.00 1.00 O ATOM 1089 CB TYR A 75 16.293 3.426 -4.105 1.00 1.00 C ATOM 1090 CG TYR A 75 17.557 2.768 -3.617 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.497 1.532 -2.963 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.794 3.395 -3.816 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.671 0.921 -2.509 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.970 2.785 -3.363 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.908 1.548 -2.708 1.00 1.00 C ATOM 1096 OH TYR A 75 21.066 0.946 -2.261 1.00 1.00 O ATOM 0 H TYR A 75 14.207 4.056 -5.234 1.00 1.00 H new ATOM 0 HA TYR A 75 16.677 3.208 -6.214 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.429 4.507 -4.152 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.479 3.237 -3.405 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.543 1.049 -2.809 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.840 4.349 -4.319 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.624 -0.033 -2.006 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.924 3.267 -3.518 1.00 1.00 H new ATOM 0 HH TYR A 75 21.835 1.513 -2.480 1.00 1.00 H new ATOM 1106 N LEU A 76 14.880 0.803 -4.829 1.00 1.00 N ATOM 1107 CA LEU A 76 14.735 -0.645 -4.725 1.00 1.00 C ATOM 1108 C LEU A 76 14.552 -1.280 -6.101 1.00 1.00 C ATOM 1109 O LEU A 76 15.135 -2.325 -6.393 1.00 1.00 O ATOM 1110 CB LEU A 76 13.518 -0.980 -3.861 1.00 1.00 C ATOM 1111 CG LEU A 76 13.521 -2.475 -3.515 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.683 -2.803 -2.571 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.197 -2.840 -2.839 1.00 1.00 C ATOM 0 H LEU A 76 14.133 1.334 -4.382 1.00 1.00 H new ATOM 0 HA LEU A 76 15.643 -1.043 -4.271 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.535 -0.386 -2.947 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.602 -0.722 -4.392 1.00 1.00 H new ATOM 0 HG LEU A 76 13.641 -3.051 -4.433 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.671 -3.867 -2.335 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.627 -2.549 -3.054 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.579 -2.227 -1.652 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.195 -3.902 -2.592 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.081 -2.255 -1.927 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.371 -2.624 -3.516 1.00 1.00 H new ATOM 1125 N LYS A 77 13.734 -0.652 -6.938 1.00 1.00 N ATOM 1126 CA LYS A 77 13.475 -1.176 -8.269 1.00 1.00 C ATOM 1127 C LYS A 77 14.782 -1.311 -9.045 1.00 1.00 C ATOM 1128 O LYS A 77 14.968 -2.262 -9.805 1.00 1.00 O ATOM 1129 CB LYS A 77 12.489 -0.246 -8.993 1.00 1.00 C ATOM 1130 CG LYS A 77 12.903 -0.027 -10.450 1.00 1.00 C ATOM 1131 CD LYS A 77 11.771 0.686 -11.196 1.00 1.00 C ATOM 1132 CE LYS A 77 11.522 2.057 -10.570 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.841 2.938 -11.562 1.00 1.00 N ATOM 0 H LYS A 77 13.243 0.215 -6.718 1.00 1.00 H new ATOM 0 HA LYS A 77 13.030 -2.169 -8.196 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.488 -0.675 -8.957 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.444 0.713 -8.477 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.815 0.568 -10.495 1.00 1.00 H new ATOM 0 HG3 LYS A 77 13.122 -0.983 -10.926 1.00 1.00 H new ATOM 0 HD2 LYS A 77 12.031 0.798 -12.249 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.862 0.087 -11.155 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.907 1.954 -9.676 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.466 2.504 -10.258 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.671 3.872 -11.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 11.444 3.045 -12.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.933 2.513 -11.838 1.00 1.00 H new ATOM 1147 N LYS A 78 15.690 -0.362 -8.845 1.00 1.00 N ATOM 1148 CA LYS A 78 16.976 -0.400 -9.527 1.00 1.00 C ATOM 1149 C LYS A 78 17.814 -1.563 -9.005 1.00 1.00 C ATOM 1150 O LYS A 78 18.533 -2.215 -9.762 1.00 1.00 O ATOM 1151 CB LYS A 78 17.726 0.914 -9.305 1.00 1.00 C ATOM 1152 CG LYS A 78 19.165 0.773 -9.805 1.00 1.00 C ATOM 1153 CD LYS A 78 19.789 2.161 -9.966 1.00 1.00 C ATOM 1154 CE LYS A 78 19.746 2.898 -8.626 1.00 1.00 C ATOM 1155 NZ LYS A 78 18.393 3.489 -8.426 1.00 1.00 N ATOM 0 H LYS A 78 15.561 0.435 -8.222 1.00 1.00 H new ATOM 0 HA LYS A 78 16.801 -0.537 -10.594 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.224 1.725 -9.833 1.00 1.00 H new ATOM 0 HB3 LYS A 78 17.722 1.173 -8.246 1.00 1.00 H new ATOM 0 HG2 LYS A 78 19.749 0.180 -9.101 1.00 1.00 H new ATOM 0 HG3 LYS A 78 19.180 0.243 -10.758 1.00 1.00 H new ATOM 0 HD2 LYS A 78 20.819 2.071 -10.311 1.00 1.00 H new ATOM 0 HD3 LYS A 78 19.248 2.729 -10.723 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.977 2.210 -7.813 1.00 1.00 H new ATOM 0 HE3 LYS A 78 20.503 3.682 -8.606 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 18.485 4.427 -7.987 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 17.916 3.583 -9.345 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 17.832 2.870 -7.806 1.00 1.00 H new ATOM 1169 N LEU A 79 17.701 -1.823 -7.706 1.00 1.00 N ATOM 1170 CA LEU A 79 18.442 -2.919 -7.090 1.00 1.00 C ATOM 1171 C LEU A 79 17.896 -4.264 -7.562 1.00 1.00 C ATOM 1172 O LEU A 79 18.654 -5.152 -7.948 1.00 1.00 O ATOM 1173 CB LEU A 79 18.340 -2.834 -5.564 1.00 1.00 C ATOM 1174 CG LEU A 79 19.638 -2.261 -4.987 1.00 1.00 C ATOM 1175 CD1 LEU A 79 19.854 -0.840 -5.515 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.540 -2.226 -3.461 1.00 1.00 C ATOM 0 H LEU A 79 17.109 -1.295 -7.064 1.00 1.00 H new ATOM 0 HA LEU A 79 19.487 -2.835 -7.387 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.497 -2.204 -5.282 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.152 -3.824 -5.147 1.00 1.00 H new ATOM 0 HG LEU A 79 20.477 -2.889 -5.288 1.00 1.00 H new ATOM 0 HD11 LEU A 79 20.778 -0.435 -5.103 1.00 1.00 H new ATOM 0 HD12 LEU A 79 19.921 -0.862 -6.603 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.017 -0.210 -5.216 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.462 -1.819 -3.046 1.00 1.00 H new ATOM 0 HD22 LEU A 79 18.700 -1.597 -3.165 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.388 -3.237 -3.083 1.00 1.00 H new ATOM 1188 N ILE A 80 16.573 -4.403 -7.525 1.00 1.00 N ATOM 1189 CA ILE A 80 15.932 -5.643 -7.947 1.00 1.00 C ATOM 1190 C ILE A 80 16.061 -5.835 -9.456 1.00 1.00 C ATOM 1191 O ILE A 80 16.363 -6.931 -9.927 1.00 1.00 O ATOM 1192 CB ILE A 80 14.453 -5.627 -7.556 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.331 -5.439 -6.038 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.804 -6.952 -7.960 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.861 -5.253 -5.656 1.00 1.00 C ATOM 0 H ILE A 80 15.929 -3.678 -7.209 1.00 1.00 H new ATOM 0 HA ILE A 80 16.432 -6.472 -7.447 1.00 1.00 H new ATOM 0 HB ILE A 80 13.949 -4.806 -8.067 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.744 -6.305 -5.521 1.00 1.00 H new ATOM 0 HG13 ILE A 80 14.911 -4.572 -5.722 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.750 -6.941 -7.681 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.893 -7.087 -9.038 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.306 -7.774 -7.449 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.779 -5.120 -4.577 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.462 -4.373 -6.161 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.293 -6.133 -5.957 1.00 1.00 H new ATOM 1207 N ALA A 81 15.827 -4.764 -10.206 1.00 1.00 N ATOM 1208 CA ALA A 81 15.917 -4.830 -11.661 1.00 1.00 C ATOM 1209 C ALA A 81 17.340 -5.162 -12.097 1.00 1.00 C ATOM 1210 O ALA A 81 17.551 -5.767 -13.148 1.00 1.00 O ATOM 1211 CB ALA A 81 15.494 -3.492 -12.270 1.00 1.00 C ATOM 0 H ALA A 81 15.576 -3.847 -9.836 1.00 1.00 H new ATOM 0 HA ALA A 81 15.250 -5.617 -12.012 1.00 1.00 H new ATOM 0 HB1 ALA A 81 15.564 -3.548 -13.356 1.00 1.00 H new ATOM 0 HB2 ALA A 81 14.466 -3.271 -11.983 1.00 1.00 H new ATOM 0 HB3 ALA A 81 16.151 -2.702 -11.905 1.00 1.00 H new ATOM 1306 N LYS A 88 15.980 -7.474 1.954 1.00 1.00 N ATOM 1307 CA LYS A 88 14.629 -6.932 2.087 1.00 1.00 C ATOM 1308 C LYS A 88 14.659 -5.572 2.779 1.00 1.00 C ATOM 1309 O LYS A 88 15.085 -5.460 3.929 1.00 1.00 O ATOM 1310 CB LYS A 88 13.757 -7.897 2.894 1.00 1.00 C ATOM 1311 CG LYS A 88 14.231 -9.332 2.659 1.00 1.00 C ATOM 1312 CD LYS A 88 13.242 -10.307 3.300 1.00 1.00 C ATOM 1313 CE LYS A 88 12.203 -10.738 2.262 1.00 1.00 C ATOM 1314 NZ LYS A 88 11.131 -11.529 2.930 1.00 1.00 N ATOM 0 HA LYS A 88 14.209 -6.808 1.089 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.813 -7.654 3.955 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.713 -7.795 2.598 1.00 1.00 H new ATOM 0 HG2 LYS A 88 14.312 -9.529 1.590 1.00 1.00 H new ATOM 0 HG3 LYS A 88 15.224 -9.473 3.085 1.00 1.00 H new ATOM 0 HD2 LYS A 88 13.772 -11.179 3.683 1.00 1.00 H new ATOM 0 HD3 LYS A 88 12.749 -9.835 4.149 1.00 1.00 H new ATOM 0 HE2 LYS A 88 11.774 -9.862 1.776 1.00 1.00 H new ATOM 0 HE3 LYS A 88 12.678 -11.334 1.483 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 10.461 -11.879 2.215 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 11.556 -12.335 3.431 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 10.627 -10.925 3.610 1.00 1.00 H new ATOM 1328 N ILE A 89 14.204 -4.542 2.072 1.00 1.00 N ATOM 1329 CA ILE A 89 14.182 -3.195 2.628 1.00 1.00 C ATOM 1330 C ILE A 89 13.622 -3.212 4.049 1.00 1.00 C ATOM 1331 O ILE A 89 12.791 -4.053 4.390 1.00 1.00 O ATOM 1332 CB ILE A 89 13.343 -2.270 1.722 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.297 -1.474 0.823 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.497 -1.298 2.563 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.507 -0.650 -0.197 1.00 1.00 C ATOM 0 H ILE A 89 13.848 -4.614 1.119 1.00 1.00 H new ATOM 0 HA ILE A 89 15.202 -2.812 2.672 1.00 1.00 H new ATOM 0 HB ILE A 89 12.666 -2.876 1.120 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.915 -0.815 1.432 1.00 1.00 H new ATOM 0 HG13 ILE A 89 14.972 -2.155 0.305 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.915 -0.657 1.902 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.823 -1.865 3.205 1.00 1.00 H new ATOM 0 HG23 ILE A 89 13.154 -0.683 3.179 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.199 -0.091 -0.827 1.00 1.00 H new ATOM 0 HD12 ILE A 89 12.908 -1.317 -0.818 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.851 0.045 0.327 1.00 1.00 H new ATOM 1347 N THR A 90 14.080 -2.267 4.867 1.00 1.00 N ATOM 1348 CA THR A 90 13.621 -2.164 6.247 1.00 1.00 C ATOM 1349 C THR A 90 13.182 -0.734 6.551 1.00 1.00 C ATOM 1350 O THR A 90 13.446 0.185 5.777 1.00 1.00 O ATOM 1351 CB THR A 90 14.742 -2.573 7.204 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.719 -1.543 7.252 1.00 1.00 O ATOM 1353 CG2 THR A 90 15.389 -3.868 6.714 1.00 1.00 C ATOM 0 H THR A 90 14.767 -1.563 4.597 1.00 1.00 H new ATOM 0 HA THR A 90 12.771 -2.833 6.383 1.00 1.00 H new ATOM 0 HB THR A 90 14.329 -2.731 8.200 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.438 -1.802 7.866 1.00 1.00 H new ATOM 0 HG21 THR A 90 16.187 -4.157 7.398 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.639 -4.658 6.677 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.803 -3.714 5.717 1.00 1.00 H new ATOM 1361 N GLU A 91 12.510 -0.554 7.683 1.00 1.00 N ATOM 1362 CA GLU A 91 12.037 0.767 8.084 1.00 1.00 C ATOM 1363 C GLU A 91 13.190 1.761 8.104 1.00 1.00 C ATOM 1364 O GLU A 91 13.005 2.957 7.872 1.00 1.00 O ATOM 1365 CB GLU A 91 11.406 0.695 9.477 1.00 1.00 C ATOM 1366 CG GLU A 91 10.927 2.085 9.894 1.00 1.00 C ATOM 1367 CD GLU A 91 10.078 1.987 11.158 1.00 1.00 C ATOM 1368 OE1 GLU A 91 9.900 0.881 11.643 1.00 1.00 O ATOM 1369 OE2 GLU A 91 9.620 3.017 11.622 1.00 1.00 O ATOM 0 H GLU A 91 12.281 -1.302 8.337 1.00 1.00 H new ATOM 0 HA GLU A 91 11.292 1.100 7.362 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.569 -0.003 9.473 1.00 1.00 H new ATOM 0 HB3 GLU A 91 12.132 0.318 10.197 1.00 1.00 H new ATOM 0 HG2 GLU A 91 11.783 2.736 10.071 1.00 1.00 H new ATOM 0 HG3 GLU A 91 10.345 2.535 9.089 1.00 1.00 H new ATOM 1376 N ALA A 92 14.379 1.254 8.385 1.00 1.00 N ATOM 1377 CA ALA A 92 15.570 2.092 8.441 1.00 1.00 C ATOM 1378 C ALA A 92 16.088 2.376 7.039 1.00 1.00 C ATOM 1379 O ALA A 92 16.627 3.449 6.772 1.00 1.00 O ATOM 1380 CB ALA A 92 16.660 1.400 9.260 1.00 1.00 C ATOM 0 H ALA A 92 14.547 0.267 8.578 1.00 1.00 H new ATOM 0 HA ALA A 92 15.305 3.036 8.917 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.546 2.034 9.296 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.298 1.225 10.273 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.914 0.447 8.796 1.00 1.00 H new ATOM 1386 N GLU A 93 15.915 1.410 6.147 1.00 1.00 N ATOM 1387 CA GLU A 93 16.368 1.569 4.773 1.00 1.00 C ATOM 1388 C GLU A 93 15.576 2.673 4.080 1.00 1.00 C ATOM 1389 O GLU A 93 16.150 3.525 3.400 1.00 1.00 O ATOM 1390 CB GLU A 93 16.195 0.254 4.012 1.00 1.00 C ATOM 1391 CG GLU A 93 17.361 0.072 3.037 1.00 1.00 C ATOM 1392 CD GLU A 93 18.578 -0.475 3.778 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.762 -0.106 4.925 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.301 -1.260 3.188 1.00 1.00 O ATOM 0 H GLU A 93 15.468 0.515 6.348 1.00 1.00 H new ATOM 0 HA GLU A 93 17.423 1.843 4.782 1.00 1.00 H new ATOM 0 HB2 GLU A 93 16.158 -0.581 4.711 1.00 1.00 H new ATOM 0 HB3 GLU A 93 15.250 0.257 3.469 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.074 -0.611 2.237 1.00 1.00 H new ATOM 0 HG3 GLU A 93 17.607 1.025 2.569 1.00 1.00 H new ATOM 1401 N ILE A 94 14.258 2.659 4.258 1.00 1.00 N ATOM 1402 CA ILE A 94 13.411 3.673 3.640 1.00 1.00 C ATOM 1403 C ILE A 94 13.755 5.051 4.191 1.00 1.00 C ATOM 1404 O ILE A 94 13.919 6.010 3.437 1.00 1.00 O ATOM 1405 CB ILE A 94 11.938 3.372 3.916 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.626 1.927 3.522 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.059 4.321 3.100 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.198 1.577 3.946 1.00 1.00 C ATOM 0 H ILE A 94 13.759 1.967 4.817 1.00 1.00 H new ATOM 0 HA ILE A 94 13.586 3.659 2.564 1.00 1.00 H new ATOM 0 HB ILE A 94 11.736 3.511 4.978 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.738 1.801 2.445 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.334 1.249 3.998 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.009 4.105 3.298 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.277 5.351 3.381 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.264 4.184 2.038 1.00 1.00 H new ATOM 0 HD11 ILE A 94 9.977 0.547 3.665 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.102 1.687 5.026 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.496 2.247 3.449 1.00 1.00 H new ATOM 1420 N VAL A 95 13.878 5.135 5.509 1.00 1.00 N ATOM 1421 CA VAL A 95 14.219 6.393 6.158 1.00 1.00 C ATOM 1422 C VAL A 95 15.651 6.791 5.819 1.00 1.00 C ATOM 1423 O VAL A 95 15.944 7.966 5.594 1.00 1.00 O ATOM 1424 CB VAL A 95 14.070 6.257 7.675 1.00 1.00 C ATOM 1425 CG1 VAL A 95 14.927 7.313 8.376 1.00 1.00 C ATOM 1426 CG2 VAL A 95 12.602 6.458 8.059 1.00 1.00 C ATOM 0 H VAL A 95 13.747 4.350 6.147 1.00 1.00 H new ATOM 0 HA VAL A 95 13.540 7.166 5.797 1.00 1.00 H new ATOM 0 HB VAL A 95 14.399 5.264 7.983 1.00 1.00 H new ATOM 0 HG11 VAL A 95 14.818 7.212 9.456 1.00 1.00 H new ATOM 0 HG12 VAL A 95 15.973 7.173 8.103 1.00 1.00 H new ATOM 0 HG13 VAL A 95 14.602 8.307 8.070 1.00 1.00 H new ATOM 0 HG21 VAL A 95 12.492 6.362 9.139 1.00 1.00 H new ATOM 0 HG22 VAL A 95 12.277 7.451 7.748 1.00 1.00 H new ATOM 0 HG23 VAL A 95 11.990 5.704 7.563 1.00 1.00 H new ATOM 1436 N SER A 96 16.540 5.802 5.799 1.00 1.00 N ATOM 1437 CA SER A 96 17.949 6.055 5.507 1.00 1.00 C ATOM 1438 C SER A 96 18.125 6.583 4.090 1.00 1.00 C ATOM 1439 O SER A 96 18.840 7.559 3.867 1.00 1.00 O ATOM 1440 CB SER A 96 18.757 4.768 5.676 1.00 1.00 C ATOM 1441 OG SER A 96 18.779 4.403 7.049 1.00 1.00 O ATOM 0 H SER A 96 16.313 4.824 5.980 1.00 1.00 H new ATOM 0 HA SER A 96 18.310 6.809 6.207 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.316 3.968 5.082 1.00 1.00 H new ATOM 0 HB3 SER A 96 19.774 4.913 5.310 1.00 1.00 H new ATOM 0 HG SER A 96 17.861 4.289 7.372 1.00 1.00 H new ATOM 1447 N ILE A 97 17.460 5.944 3.136 1.00 1.00 N ATOM 1448 CA ILE A 97 17.546 6.376 1.749 1.00 1.00 C ATOM 1449 C ILE A 97 16.831 7.714 1.596 1.00 1.00 C ATOM 1450 O ILE A 97 17.341 8.635 0.960 1.00 1.00 O ATOM 1451 CB ILE A 97 16.915 5.322 0.835 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.704 4.015 0.951 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.947 5.798 -0.618 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.832 2.849 0.484 1.00 1.00 C ATOM 0 H ILE A 97 16.862 5.134 3.295 1.00 1.00 H new ATOM 0 HA ILE A 97 18.591 6.496 1.465 1.00 1.00 H new ATOM 0 HB ILE A 97 15.880 5.163 1.138 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.610 4.070 0.347 1.00 1.00 H new ATOM 0 HG13 ILE A 97 18.018 3.858 1.983 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.496 5.041 -1.259 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.388 6.729 -0.708 1.00 1.00 H new ATOM 0 HG23 ILE A 97 17.980 5.964 -0.924 1.00 1.00 H new ATOM 0 HD11 ILE A 97 17.394 1.919 0.567 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.939 2.790 1.106 1.00 1.00 H new ATOM 0 HD13 ILE A 97 16.541 3.006 -0.555 1.00 1.00 H new ATOM 1466 N LEU A 98 15.651 7.809 2.199 1.00 1.00 N ATOM 1467 CA LEU A 98 14.866 9.036 2.143 1.00 1.00 C ATOM 1468 C LEU A 98 15.701 10.215 2.639 1.00 1.00 C ATOM 1469 O LEU A 98 15.705 11.284 2.033 1.00 1.00 O ATOM 1470 CB LEU A 98 13.620 8.877 3.018 1.00 1.00 C ATOM 1471 CG LEU A 98 12.872 10.207 3.120 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.373 9.961 2.957 1.00 1.00 C ATOM 1473 CD2 LEU A 98 13.138 10.836 4.491 1.00 1.00 C ATOM 0 H LEU A 98 15.218 7.054 2.731 1.00 1.00 H new ATOM 0 HA LEU A 98 14.567 9.228 1.112 1.00 1.00 H new ATOM 0 HB2 LEU A 98 12.965 8.115 2.596 1.00 1.00 H new ATOM 0 HB3 LEU A 98 13.907 8.536 4.013 1.00 1.00 H new ATOM 0 HG LEU A 98 13.218 10.881 2.336 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.839 10.908 3.030 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.182 9.510 1.983 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.027 9.288 3.742 1.00 1.00 H new ATOM 0 HD21 LEU A 98 12.606 11.784 4.566 1.00 1.00 H new ATOM 0 HD22 LEU A 98 12.791 10.162 5.274 1.00 1.00 H new ATOM 0 HD23 LEU A 98 14.207 11.010 4.610 1.00 1.00 H new ATOM 1485 N ASN A 99 16.413 10.002 3.740 1.00 1.00 N ATOM 1486 CA ASN A 99 17.258 11.047 4.308 1.00 1.00 C ATOM 1487 C ASN A 99 18.300 11.494 3.289 1.00 1.00 C ATOM 1488 O ASN A 99 18.694 12.660 3.253 1.00 1.00 O ATOM 1489 CB ASN A 99 17.956 10.527 5.565 1.00 1.00 C ATOM 1490 CG ASN A 99 17.450 11.276 6.793 1.00 1.00 C ATOM 1491 OD1 ASN A 99 17.737 12.461 6.960 1.00 1.00 O ATOM 1492 ND2 ASN A 99 16.709 10.652 7.667 1.00 1.00 N ATOM 0 H ASN A 99 16.423 9.121 4.255 1.00 1.00 H new ATOM 0 HA ASN A 99 16.632 11.899 4.571 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.770 9.459 5.678 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.034 10.654 5.471 1.00 1.00 H new ATOM 0 HD21 ASN A 99 16.366 11.146 8.491 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.472 9.670 7.526 1.00 1.00 H new ATOM 1499 N GLY A 100 18.742 10.553 2.461 1.00 1.00 N ATOM 1500 CA GLY A 100 19.738 10.851 1.437 1.00 1.00 C ATOM 1501 C GLY A 100 19.105 11.598 0.270 1.00 1.00 C ATOM 1502 O GLY A 100 19.734 12.459 -0.345 1.00 1.00 O ATOM 0 H GLY A 100 18.429 9.583 2.478 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.540 11.451 1.867 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.189 9.925 1.081 1.00 1.00 H new ATOM 1506 N ILE A 101 17.855 11.260 -0.028 1.00 1.00 N ATOM 1507 CA ILE A 101 17.138 11.902 -1.123 1.00 1.00 C ATOM 1508 C ILE A 101 16.695 13.307 -0.724 1.00 1.00 C ATOM 1509 O ILE A 101 16.682 14.221 -1.549 1.00 1.00 O ATOM 1510 CB ILE A 101 15.918 11.062 -1.502 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.384 9.753 -2.140 1.00 1.00 C ATOM 1512 CG2 ILE A 101 15.047 11.831 -2.500 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.457 8.616 -1.704 1.00 1.00 C ATOM 0 H ILE A 101 17.320 10.549 0.471 1.00 1.00 H new ATOM 0 HA ILE A 101 17.807 11.980 -1.980 1.00 1.00 H new ATOM 0 HB ILE A 101 15.335 10.849 -0.606 1.00 1.00 H new ATOM 0 HG12 ILE A 101 16.380 9.844 -3.226 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.410 9.535 -1.842 1.00 1.00 H new ATOM 0 HG21 ILE A 101 14.179 11.227 -2.766 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.714 12.765 -2.048 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.627 12.048 -3.397 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.788 7.682 -2.158 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.483 8.521 -0.618 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.438 8.834 -2.024 1.00 1.00 H new ATOM 1525 N ALA A 102 16.326 13.471 0.541 1.00 1.00 N ATOM 1526 CA ALA A 102 15.880 14.770 1.033 1.00 1.00 C ATOM 1527 C ALA A 102 17.009 15.794 0.953 1.00 1.00 C ATOM 1528 O ALA A 102 16.760 16.998 0.882 1.00 1.00 O ATOM 1529 CB ALA A 102 15.406 14.643 2.482 1.00 1.00 C ATOM 0 H ALA A 102 16.326 12.728 1.240 1.00 1.00 H new ATOM 0 HA ALA A 102 15.055 15.109 0.407 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.074 15.617 2.843 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.578 13.936 2.533 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.227 14.286 3.103 1.00 1.00 H new ATOM 1535 N LYS A 103 18.246 15.313 0.971 1.00 1.00 N ATOM 1536 CA LYS A 103 19.402 16.203 0.907 1.00 1.00 C ATOM 1537 C LYS A 103 19.642 16.689 -0.521 1.00 1.00 C ATOM 1538 O LYS A 103 19.869 17.877 -0.748 1.00 1.00 O ATOM 1539 CB LYS A 103 20.648 15.475 1.413 1.00 1.00 C ATOM 1540 CG LYS A 103 21.891 16.313 1.102 1.00 1.00 C ATOM 1541 CD LYS A 103 23.033 15.901 2.034 1.00 1.00 C ATOM 1542 CE LYS A 103 23.306 14.404 1.874 1.00 1.00 C ATOM 1543 NZ LYS A 103 24.610 14.066 2.511 1.00 1.00 N ATOM 0 H LYS A 103 18.475 14.321 1.029 1.00 1.00 H new ATOM 0 HA LYS A 103 19.199 17.068 1.538 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.571 15.304 2.487 1.00 1.00 H new ATOM 0 HB3 LYS A 103 20.728 14.497 0.939 1.00 1.00 H new ATOM 0 HG2 LYS A 103 22.187 16.171 0.063 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.669 17.373 1.229 1.00 1.00 H new ATOM 0 HD2 LYS A 103 23.931 16.472 1.801 1.00 1.00 H new ATOM 0 HD3 LYS A 103 22.772 16.126 3.068 1.00 1.00 H new ATOM 0 HE2 LYS A 103 22.504 13.826 2.333 1.00 1.00 H new ATOM 0 HE3 LYS A 103 23.326 14.138 0.817 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 24.796 13.049 2.402 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 25.371 14.608 2.053 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 24.575 14.305 3.522 1.00 1.00 H new ATOM 1557 N GLN A 104 19.595 15.767 -1.477 1.00 1.00 N ATOM 1558 CA GLN A 104 19.817 16.124 -2.874 1.00 1.00 C ATOM 1559 C GLN A 104 18.548 16.704 -3.495 1.00 1.00 C ATOM 1560 O GLN A 104 18.606 17.677 -4.246 1.00 1.00 O ATOM 1561 CB GLN A 104 20.265 14.893 -3.669 1.00 1.00 C ATOM 1562 CG GLN A 104 19.059 13.999 -3.961 1.00 1.00 C ATOM 1563 CD GLN A 104 19.526 12.603 -4.354 1.00 1.00 C ATOM 1564 OE1 GLN A 104 20.534 12.117 -3.842 1.00 1.00 O ATOM 1565 NE2 GLN A 104 18.847 11.921 -5.236 1.00 1.00 N ATOM 0 H GLN A 104 19.407 14.778 -1.313 1.00 1.00 H new ATOM 0 HA GLN A 104 20.600 16.881 -2.910 1.00 1.00 H new ATOM 0 HB2 GLN A 104 20.735 15.203 -4.603 1.00 1.00 H new ATOM 0 HB3 GLN A 104 21.014 14.337 -3.105 1.00 1.00 H new ATOM 0 HG2 GLN A 104 18.417 13.942 -3.082 1.00 1.00 H new ATOM 0 HG3 GLN A 104 18.462 14.431 -4.764 1.00 1.00 H new ATOM 0 HE21 GLN A 104 18.012 12.325 -5.660 1.00 1.00 H new ATOM 0 HE22 GLN A 104 19.152 10.984 -5.501 1.00 1.00 H new