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= -2.9! C(o=-1.8!,f=-4.8!) USER MOD Set 1.2: A 74 THR OG1 : rot -13:sc= 1.07 USER MOD Single : A 6 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.16) 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 48 ASN : amide:sc= -4.38! K(o=-4.4!,f=-0.51) USER MOD Single : A 53 GLN : amide:sc= -0.0654 X(o=-0.065,f=0) USER MOD Single : A 59 SER OG : rot 68:sc= 1.13 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 154:sc= -0.0089 (180deg=-0.388) USER MOD Single : A 78 LYS NZ :NH3+ -150:sc= -0.116 (180deg=-1.03) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.493 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0279 X(o=-0.028,f=-0.46) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 8.130 8.143 -19.002 1.00 1.00 N ATOM 47 CA GLU A 4 6.959 8.003 -18.144 1.00 1.00 C ATOM 48 C GLU A 4 5.712 7.733 -18.979 1.00 1.00 C ATOM 49 O GLU A 4 4.804 7.026 -18.545 1.00 1.00 O ATOM 50 CB GLU A 4 6.759 9.277 -17.321 1.00 1.00 C ATOM 51 CG GLU A 4 6.898 10.499 -18.232 1.00 1.00 C ATOM 52 CD GLU A 4 6.564 11.769 -17.458 1.00 1.00 C ATOM 53 OE1 GLU A 4 6.562 11.712 -16.238 1.00 1.00 O ATOM 54 OE2 GLU A 4 6.317 12.779 -18.093 1.00 1.00 O ATOM 0 HA GLU A 4 7.122 7.160 -17.473 1.00 1.00 H new ATOM 0 HB2 GLU A 4 5.775 9.269 -16.852 1.00 1.00 H new ATOM 0 HB3 GLU A 4 7.494 9.323 -16.518 1.00 1.00 H new ATOM 0 HG2 GLU A 4 7.914 10.558 -18.622 1.00 1.00 H new ATOM 0 HG3 GLU A 4 6.233 10.401 -19.090 1.00 1.00 H new ATOM 61 N LEU A 5 5.678 8.302 -20.179 1.00 1.00 N ATOM 62 CA LEU A 5 4.536 8.117 -21.068 1.00 1.00 C ATOM 63 C LEU A 5 4.278 6.633 -21.308 1.00 1.00 C ATOM 64 O LEU A 5 3.145 6.165 -21.204 1.00 1.00 O ATOM 65 CB LEU A 5 4.800 8.812 -22.407 1.00 1.00 C ATOM 66 CG LEU A 5 3.958 10.087 -22.499 1.00 1.00 C ATOM 67 CD1 LEU A 5 4.449 10.939 -23.672 1.00 1.00 C ATOM 68 CD2 LEU A 5 2.489 9.718 -22.722 1.00 1.00 C ATOM 0 H LEU A 5 6.421 8.890 -20.557 1.00 1.00 H new ATOM 0 HA LEU A 5 3.657 8.556 -20.596 1.00 1.00 H new ATOM 0 HB2 LEU A 5 5.858 9.056 -22.499 1.00 1.00 H new ATOM 0 HB3 LEU A 5 4.554 8.142 -23.231 1.00 1.00 H new ATOM 0 HG LEU A 5 4.055 10.651 -21.571 1.00 1.00 H new ATOM 0 HD11 LEU A 5 3.850 11.847 -23.738 1.00 1.00 H new ATOM 0 HD12 LEU A 5 5.495 11.205 -23.516 1.00 1.00 H new ATOM 0 HD13 LEU A 5 4.353 10.373 -24.598 1.00 1.00 H new ATOM 0 HD21 LEU A 5 1.891 10.627 -22.787 1.00 1.00 H new ATOM 0 HD22 LEU A 5 2.392 9.153 -23.649 1.00 1.00 H new ATOM 0 HD23 LEU A 5 2.136 9.111 -21.889 1.00 1.00 H new ATOM 80 N GLN A 6 5.339 5.898 -21.627 1.00 1.00 N ATOM 81 CA GLN A 6 5.215 4.467 -21.878 1.00 1.00 C ATOM 82 C GLN A 6 4.707 3.745 -20.634 1.00 1.00 C ATOM 83 O GLN A 6 3.825 2.891 -20.717 1.00 1.00 O ATOM 84 CB GLN A 6 6.571 3.889 -22.287 1.00 1.00 C ATOM 85 CG GLN A 6 6.385 2.459 -22.798 1.00 1.00 C ATOM 86 CD GLN A 6 6.611 2.409 -24.305 1.00 1.00 C ATOM 87 OE1 GLN A 6 7.713 2.101 -24.758 1.00 1.00 O ATOM 88 NE2 GLN A 6 5.627 2.695 -25.113 1.00 1.00 N ATOM 0 H GLN A 6 6.286 6.266 -21.717 1.00 1.00 H new ATOM 0 HA GLN A 6 4.499 4.321 -22.686 1.00 1.00 H new ATOM 0 HB2 GLN A 6 7.022 4.508 -23.063 1.00 1.00 H new ATOM 0 HB3 GLN A 6 7.253 3.896 -21.436 1.00 1.00 H new ATOM 0 HG2 GLN A 6 7.084 1.791 -22.295 1.00 1.00 H new ATOM 0 HG3 GLN A 6 5.381 2.107 -22.561 1.00 1.00 H new ATOM 0 HE21 GLN A 6 4.715 2.950 -24.735 1.00 1.00 H new ATOM 0 HE22 GLN A 6 5.770 2.664 -26.122 1.00 1.00 H new ATOM 97 N CYS A 7 5.268 4.097 -19.482 1.00 1.00 N ATOM 98 CA CYS A 7 4.863 3.474 -18.227 1.00 1.00 C ATOM 99 C CYS A 7 3.446 3.897 -17.852 1.00 1.00 C ATOM 100 O CYS A 7 2.690 3.119 -17.272 1.00 1.00 O ATOM 101 CB CYS A 7 5.830 3.874 -17.109 1.00 1.00 C ATOM 102 SG CYS A 7 5.584 2.789 -15.683 1.00 1.00 S ATOM 0 H CYS A 7 5.998 4.804 -19.391 1.00 1.00 H new ATOM 0 HA CYS A 7 4.885 2.392 -18.356 1.00 1.00 H new ATOM 0 HB2 CYS A 7 6.859 3.802 -17.461 1.00 1.00 H new ATOM 0 HB3 CYS A 7 5.662 4.912 -16.823 1.00 1.00 H new ATOM 0 HG CYS A 7 6.406 3.126 -14.734 1.00 1.00 H new ATOM 107 N ILE A 8 3.094 5.134 -18.188 1.00 1.00 N ATOM 108 CA ILE A 8 1.765 5.649 -17.882 1.00 1.00 C ATOM 109 C ILE A 8 0.715 4.965 -18.750 1.00 1.00 C ATOM 110 O ILE A 8 -0.405 4.712 -18.305 1.00 1.00 O ATOM 111 CB ILE A 8 1.723 7.159 -18.119 1.00 1.00 C ATOM 112 CG1 ILE A 8 2.358 7.879 -16.927 1.00 1.00 C ATOM 113 CG2 ILE A 8 0.270 7.612 -18.271 1.00 1.00 C ATOM 114 CD1 ILE A 8 2.658 9.330 -17.309 1.00 1.00 C ATOM 0 H ILE A 8 3.706 5.794 -18.669 1.00 1.00 H new ATOM 0 HA ILE A 8 1.546 5.441 -16.835 1.00 1.00 H new ATOM 0 HB ILE A 8 2.276 7.399 -19.027 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.685 7.849 -16.070 1.00 1.00 H new ATOM 0 HG13 ILE A 8 3.276 7.373 -16.630 1.00 1.00 H new ATOM 0 HG21 ILE A 8 0.240 8.688 -18.440 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -0.184 7.099 -19.119 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -0.283 7.372 -17.363 1.00 1.00 H new ATOM 0 HD11 ILE A 8 3.110 9.844 -16.461 1.00 1.00 H new ATOM 0 HD12 ILE A 8 3.347 9.349 -18.154 1.00 1.00 H new ATOM 0 HD13 ILE A 8 1.731 9.833 -17.585 1.00 1.00 H new ATOM 126 N ARG A 9 1.083 4.668 -19.992 1.00 1.00 N ATOM 127 CA ARG A 9 0.164 4.011 -20.916 1.00 1.00 C ATOM 128 C ARG A 9 -0.190 2.615 -20.415 1.00 1.00 C ATOM 129 O ARG A 9 -1.303 2.134 -20.629 1.00 1.00 O ATOM 130 CB ARG A 9 0.801 3.913 -22.303 1.00 1.00 C ATOM 131 CG ARG A 9 -0.133 3.143 -23.239 1.00 1.00 C ATOM 132 CD ARG A 9 -0.199 3.855 -24.591 1.00 1.00 C ATOM 133 NE ARG A 9 1.144 4.045 -25.129 1.00 1.00 N ATOM 134 CZ ARG A 9 1.834 3.026 -25.627 1.00 1.00 C ATOM 135 NH1 ARG A 9 1.314 1.829 -25.644 1.00 1.00 N ATOM 136 NH2 ARG A 9 3.035 3.220 -26.102 1.00 1.00 N ATOM 0 H ARG A 9 2.004 4.870 -20.380 1.00 1.00 H new ATOM 0 HA ARG A 9 -0.748 4.604 -20.977 1.00 1.00 H new ATOM 0 HB2 ARG A 9 0.990 4.911 -22.700 1.00 1.00 H new ATOM 0 HB3 ARG A 9 1.765 3.408 -22.238 1.00 1.00 H new ATOM 0 HG2 ARG A 9 0.227 2.122 -23.370 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -1.129 3.076 -22.802 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -0.798 3.270 -25.289 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -0.693 4.820 -24.478 1.00 1.00 H new ATOM 0 HE ARG A 9 1.560 4.976 -25.122 1.00 1.00 H new ATOM 0 HH11 ARG A 9 0.376 1.675 -25.274 1.00 1.00 H new ATOM 0 HH12 ARG A 9 1.846 1.047 -26.027 1.00 1.00 H new ATOM 0 HH21 ARG A 9 3.443 4.155 -26.090 1.00 1.00 H new ATOM 0 HH22 ARG A 9 3.565 2.437 -26.485 1.00 1.00 H new ATOM 150 N GLU A 10 0.761 1.972 -19.748 1.00 1.00 N ATOM 151 CA GLU A 10 0.538 0.631 -19.221 1.00 1.00 C ATOM 152 C GLU A 10 -0.413 0.675 -18.029 1.00 1.00 C ATOM 153 O GLU A 10 -1.364 -0.103 -17.952 1.00 1.00 O ATOM 154 CB GLU A 10 1.869 0.010 -18.790 1.00 1.00 C ATOM 155 CG GLU A 10 2.588 -0.559 -20.015 1.00 1.00 C ATOM 156 CD GLU A 10 1.886 -1.825 -20.493 1.00 1.00 C ATOM 157 OE1 GLU A 10 1.166 -2.414 -19.704 1.00 1.00 O ATOM 158 OE2 GLU A 10 2.080 -2.187 -21.642 1.00 1.00 O ATOM 0 H GLU A 10 1.688 2.354 -19.560 1.00 1.00 H new ATOM 0 HA GLU A 10 0.091 0.023 -20.007 1.00 1.00 H new ATOM 0 HB2 GLU A 10 2.493 0.761 -18.305 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.694 -0.779 -18.059 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.603 0.182 -20.814 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.626 -0.781 -19.767 1.00 1.00 H new ATOM 165 N CYS A 11 -0.149 1.590 -17.102 1.00 1.00 N ATOM 166 CA CYS A 11 -0.989 1.727 -15.916 1.00 1.00 C ATOM 167 C CYS A 11 -2.464 1.732 -16.300 1.00 1.00 C ATOM 168 O CYS A 11 -3.300 1.158 -15.600 1.00 1.00 O ATOM 169 CB CYS A 11 -0.647 3.024 -15.182 1.00 1.00 C ATOM 170 SG CYS A 11 -1.475 3.044 -13.573 1.00 1.00 S ATOM 0 H CYS A 11 0.633 2.243 -17.147 1.00 1.00 H new ATOM 0 HA CYS A 11 -0.800 0.877 -15.260 1.00 1.00 H new ATOM 0 HB2 CYS A 11 0.432 3.105 -15.049 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -0.960 3.883 -15.775 1.00 1.00 H new ATOM 0 HG CYS A 11 -1.183 4.146 -12.948 1.00 1.00 H new ATOM 175 N ARG A 12 -2.780 2.381 -17.416 1.00 1.00 N ATOM 176 CA ARG A 12 -4.159 2.452 -17.881 1.00 1.00 C ATOM 177 C ARG A 12 -4.650 1.075 -18.315 1.00 1.00 C ATOM 178 O ARG A 12 -5.739 0.644 -17.936 1.00 1.00 O ATOM 179 CB ARG A 12 -4.267 3.428 -19.056 1.00 1.00 C ATOM 180 CG ARG A 12 -5.629 4.123 -19.018 1.00 1.00 C ATOM 181 CD ARG A 12 -5.846 4.893 -20.321 1.00 1.00 C ATOM 182 NE ARG A 12 -7.162 5.521 -20.323 1.00 1.00 N ATOM 183 CZ ARG A 12 -7.408 6.601 -19.588 1.00 1.00 C ATOM 184 NH1 ARG A 12 -6.464 7.117 -18.850 1.00 1.00 N ATOM 185 NH2 ARG A 12 -8.595 7.144 -19.604 1.00 1.00 N ATOM 0 H ARG A 12 -2.105 2.862 -18.011 1.00 1.00 H new ATOM 0 HA ARG A 12 -4.781 2.805 -17.058 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -3.468 4.167 -19.003 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -4.145 2.894 -19.998 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -6.421 3.387 -18.882 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -5.678 4.804 -18.168 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -5.073 5.652 -20.436 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -5.757 4.216 -21.171 1.00 1.00 H new ATOM 0 HE ARG A 12 -7.906 5.125 -20.898 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -5.537 6.692 -18.837 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -6.653 7.946 -18.286 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -9.333 6.740 -20.180 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -8.784 7.973 -19.040 1.00 1.00 H new ATOM 199 N LEU A 13 -3.838 0.387 -19.111 1.00 1.00 N ATOM 200 CA LEU A 13 -4.199 -0.943 -19.590 1.00 1.00 C ATOM 201 C LEU A 13 -4.364 -1.902 -18.416 1.00 1.00 C ATOM 202 O LEU A 13 -5.202 -2.804 -18.450 1.00 1.00 O ATOM 203 CB LEU A 13 -3.114 -1.472 -20.535 1.00 1.00 C ATOM 204 CG LEU A 13 -3.564 -1.316 -21.993 1.00 1.00 C ATOM 205 CD1 LEU A 13 -4.734 -2.261 -22.287 1.00 1.00 C ATOM 206 CD2 LEU A 13 -4.004 0.130 -22.241 1.00 1.00 C ATOM 0 H LEU A 13 -2.932 0.725 -19.436 1.00 1.00 H new ATOM 0 HA LEU A 13 -5.145 -0.873 -20.128 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -2.183 -0.928 -20.373 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -2.912 -2.521 -20.319 1.00 1.00 H new ATOM 0 HG LEU A 13 -2.730 -1.564 -22.650 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -5.046 -2.142 -23.325 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -4.421 -3.291 -22.118 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -5.569 -2.023 -21.628 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -4.324 0.240 -23.277 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -4.833 0.377 -21.577 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -3.169 0.803 -22.045 1.00 1.00 H new ATOM 218 N ALA A 14 -3.560 -1.701 -17.376 1.00 1.00 N ATOM 219 CA ALA A 14 -3.626 -2.555 -16.195 1.00 1.00 C ATOM 220 C ALA A 14 -4.816 -2.171 -15.321 1.00 1.00 C ATOM 221 O ALA A 14 -5.381 -3.011 -14.621 1.00 1.00 O ATOM 222 CB ALA A 14 -2.334 -2.427 -15.386 1.00 1.00 C ATOM 0 H ALA A 14 -2.860 -0.960 -17.327 1.00 1.00 H new ATOM 0 HA ALA A 14 -3.749 -3.587 -16.523 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -2.391 -3.067 -14.506 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -1.488 -2.731 -16.002 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -2.202 -1.391 -15.073 1.00 1.00 H new ATOM 228 N GLN A 15 -5.189 -0.895 -15.366 1.00 1.00 N ATOM 229 CA GLN A 15 -6.313 -0.409 -14.575 1.00 1.00 C ATOM 230 C GLN A 15 -7.636 -0.795 -15.229 1.00 1.00 C ATOM 231 O GLN A 15 -8.487 -1.430 -14.604 1.00 1.00 O ATOM 232 CB GLN A 15 -6.234 1.111 -14.434 1.00 1.00 C ATOM 233 CG GLN A 15 -7.157 1.571 -13.303 1.00 1.00 C ATOM 234 CD GLN A 15 -7.447 3.062 -13.443 1.00 1.00 C ATOM 235 OE1 GLN A 15 -6.768 3.888 -12.833 1.00 1.00 O ATOM 236 NE2 GLN A 15 -8.422 3.458 -14.216 1.00 1.00 N ATOM 0 H GLN A 15 -4.733 -0.184 -15.938 1.00 1.00 H new ATOM 0 HA GLN A 15 -6.263 -0.867 -13.587 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -5.208 1.414 -14.225 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -6.523 1.589 -15.370 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -8.089 1.006 -13.330 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -6.691 1.371 -12.338 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -8.983 2.772 -14.721 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -8.622 4.453 -14.315 1.00 1.00 H new ATOM 598 N ALA A 45 6.167 -9.952 -5.962 1.00 1.00 N ATOM 599 CA ALA A 45 7.584 -10.196 -6.203 1.00 1.00 C ATOM 600 C ALA A 45 8.445 -9.100 -5.578 1.00 1.00 C ATOM 601 O ALA A 45 9.610 -9.331 -5.254 1.00 1.00 O ATOM 602 CB ALA A 45 7.852 -10.257 -7.708 1.00 1.00 C ATOM 0 HA ALA A 45 7.847 -11.148 -5.742 1.00 1.00 H new ATOM 0 HB1 ALA A 45 8.912 -10.440 -7.882 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.268 -11.065 -8.149 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.567 -9.310 -8.167 1.00 1.00 H new ATOM 608 N ILE A 46 7.868 -7.910 -5.414 1.00 1.00 N ATOM 609 CA ILE A 46 8.600 -6.786 -4.829 1.00 1.00 C ATOM 610 C ILE A 46 7.973 -6.351 -3.507 1.00 1.00 C ATOM 611 O ILE A 46 8.647 -5.785 -2.648 1.00 1.00 O ATOM 612 CB ILE A 46 8.607 -5.605 -5.803 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.195 -5.388 -6.353 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.563 -5.903 -6.961 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.146 -4.067 -7.126 1.00 1.00 C ATOM 0 H ILE A 46 6.905 -7.700 -5.675 1.00 1.00 H new ATOM 0 HA ILE A 46 9.623 -7.111 -4.637 1.00 1.00 H new ATOM 0 HB ILE A 46 8.937 -4.707 -5.281 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.917 -6.215 -7.007 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.474 -5.371 -5.536 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.568 -5.062 -7.654 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.569 -6.058 -6.571 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.234 -6.802 -7.483 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.141 -3.912 -7.518 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.406 -3.245 -6.459 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.856 -4.102 -7.952 1.00 1.00 H new ATOM 627 N ALA A 47 6.682 -6.616 -3.349 1.00 1.00 N ATOM 628 CA ALA A 47 5.981 -6.245 -2.123 1.00 1.00 C ATOM 629 C ALA A 47 6.520 -7.029 -0.930 1.00 1.00 C ATOM 630 O ALA A 47 6.367 -6.611 0.218 1.00 1.00 O ATOM 631 CB ALA A 47 4.484 -6.517 -2.277 1.00 1.00 C ATOM 0 H ALA A 47 6.102 -7.082 -4.047 1.00 1.00 H new ATOM 0 HA ALA A 47 6.145 -5.182 -1.945 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.967 -6.238 -1.359 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.091 -5.930 -3.107 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.325 -7.577 -2.475 1.00 1.00 H new ATOM 637 N ASN A 48 7.147 -8.167 -1.207 1.00 1.00 N ATOM 638 CA ASN A 48 7.701 -9.004 -0.147 1.00 1.00 C ATOM 639 C ASN A 48 9.084 -8.511 0.247 1.00 1.00 C ATOM 640 O ASN A 48 9.641 -8.929 1.263 1.00 1.00 O ATOM 641 CB ASN A 48 7.783 -10.457 -0.617 1.00 1.00 C ATOM 642 CG ASN A 48 6.381 -10.988 -0.906 1.00 1.00 C ATOM 643 OD1 ASN A 48 6.167 -12.200 -0.931 1.00 1.00 O ATOM 644 ND2 ASN A 48 5.409 -10.146 -1.125 1.00 1.00 N ATOM 0 H ASN A 48 7.284 -8.530 -2.150 1.00 1.00 H new ATOM 0 HA ASN A 48 7.046 -8.945 0.722 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.399 -10.524 -1.514 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.263 -11.069 0.146 1.00 1.00 H new ATOM 0 HD21 ASN A 48 4.469 -10.491 -1.318 1.00 1.00 H new ATOM 0 HD22 ASN A 48 5.589 -9.142 -1.104 1.00 1.00 H new ATOM 651 N PHE A 49 9.636 -7.624 -0.570 1.00 1.00 N ATOM 652 CA PHE A 49 10.959 -7.081 -0.313 1.00 1.00 C ATOM 653 C PHE A 49 10.874 -5.857 0.600 1.00 1.00 C ATOM 654 O PHE A 49 11.786 -5.032 0.641 1.00 1.00 O ATOM 655 CB PHE A 49 11.621 -6.712 -1.641 1.00 1.00 C ATOM 656 CG PHE A 49 12.483 -7.861 -2.109 1.00 1.00 C ATOM 657 CD1 PHE A 49 13.750 -8.062 -1.551 1.00 1.00 C ATOM 658 CD2 PHE A 49 12.008 -8.729 -3.100 1.00 1.00 C ATOM 659 CE1 PHE A 49 14.544 -9.131 -1.983 1.00 1.00 C ATOM 660 CE2 PHE A 49 12.802 -9.799 -3.532 1.00 1.00 C ATOM 661 CZ PHE A 49 14.069 -10.000 -2.973 1.00 1.00 C ATOM 0 H PHE A 49 9.188 -7.267 -1.414 1.00 1.00 H new ATOM 0 HA PHE A 49 11.561 -7.835 0.193 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.861 -6.486 -2.388 1.00 1.00 H new ATOM 0 HB3 PHE A 49 12.227 -5.814 -1.521 1.00 1.00 H new ATOM 0 HD1 PHE A 49 14.116 -7.392 -0.787 1.00 1.00 H new ATOM 0 HD2 PHE A 49 11.030 -8.573 -3.531 1.00 1.00 H new ATOM 0 HE1 PHE A 49 15.523 -9.285 -1.553 1.00 1.00 H new ATOM 0 HE2 PHE A 49 12.436 -10.469 -4.296 1.00 1.00 H new ATOM 0 HZ PHE A 49 14.681 -10.826 -3.305 1.00 1.00 H new ATOM 671 N LEU A 50 9.776 -5.762 1.344 1.00 1.00 N ATOM 672 CA LEU A 50 9.575 -4.649 2.271 1.00 1.00 C ATOM 673 C LEU A 50 8.948 -5.164 3.567 1.00 1.00 C ATOM 674 O LEU A 50 7.790 -5.584 3.585 1.00 1.00 O ATOM 675 CB LEU A 50 8.656 -3.590 1.641 1.00 1.00 C ATOM 676 CG LEU A 50 9.407 -2.779 0.569 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.784 -3.048 -0.801 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.293 -1.284 0.885 1.00 1.00 C ATOM 0 H LEU A 50 9.013 -6.439 1.325 1.00 1.00 H new ATOM 0 HA LEU A 50 10.542 -4.195 2.489 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.788 -4.075 1.194 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.283 -2.919 2.415 1.00 1.00 H new ATOM 0 HG LEU A 50 10.456 -3.074 0.562 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.315 -2.474 -1.561 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.857 -4.111 -1.032 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.735 -2.751 -0.789 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.825 -0.710 0.126 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.243 -0.992 0.891 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.730 -1.085 1.863 1.00 1.00 H new ATOM 690 N GLU A 51 9.727 -5.143 4.645 1.00 1.00 N ATOM 691 CA GLU A 51 9.249 -5.624 5.942 1.00 1.00 C ATOM 692 C GLU A 51 7.839 -5.101 6.232 1.00 1.00 C ATOM 693 O GLU A 51 7.455 -4.044 5.735 1.00 1.00 O ATOM 694 CB GLU A 51 10.207 -5.155 7.043 1.00 1.00 C ATOM 695 CG GLU A 51 11.360 -6.152 7.186 1.00 1.00 C ATOM 696 CD GLU A 51 11.001 -7.218 8.215 1.00 1.00 C ATOM 697 OE1 GLU A 51 11.150 -6.946 9.395 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.582 -8.289 7.809 1.00 1.00 O ATOM 0 H GLU A 51 10.688 -4.800 4.649 1.00 1.00 H new ATOM 0 HA GLU A 51 9.214 -6.713 5.918 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.597 -4.166 6.802 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.673 -5.065 7.989 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.569 -6.619 6.224 1.00 1.00 H new ATOM 0 HG3 GLU A 51 12.267 -5.631 7.491 1.00 1.00 H new ATOM 705 N PRO A 52 7.064 -5.813 7.022 1.00 1.00 N ATOM 706 CA PRO A 52 5.671 -5.397 7.371 1.00 1.00 C ATOM 707 C PRO A 52 5.632 -4.068 8.125 1.00 1.00 C ATOM 708 O PRO A 52 4.936 -3.137 7.722 1.00 1.00 O ATOM 709 CB PRO A 52 5.142 -6.537 8.251 1.00 1.00 C ATOM 710 CG PRO A 52 6.349 -7.271 8.733 1.00 1.00 C ATOM 711 CD PRO A 52 7.425 -7.087 7.668 1.00 1.00 C ATOM 0 HA PRO A 52 5.069 -5.234 6.477 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.561 -6.148 9.087 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.484 -7.196 7.684 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.683 -6.879 9.693 1.00 1.00 H new ATOM 0 HG3 PRO A 52 6.127 -8.328 8.881 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.421 -7.044 8.109 1.00 1.00 H new ATOM 0 HD3 PRO A 52 7.427 -7.911 6.955 1.00 1.00 H new ATOM 719 N GLN A 53 6.385 -3.983 9.217 1.00 1.00 N ATOM 720 CA GLN A 53 6.424 -2.756 10.005 1.00 1.00 C ATOM 721 C GLN A 53 6.946 -1.609 9.149 1.00 1.00 C ATOM 722 O GLN A 53 6.366 -0.521 9.119 1.00 1.00 O ATOM 723 CB GLN A 53 7.328 -2.944 11.224 1.00 1.00 C ATOM 724 CG GLN A 53 6.886 -1.995 12.341 1.00 1.00 C ATOM 725 CD GLN A 53 7.866 -2.068 13.505 1.00 1.00 C ATOM 726 OE1 GLN A 53 7.463 -2.305 14.644 1.00 1.00 O ATOM 727 NE2 GLN A 53 9.139 -1.878 13.288 1.00 1.00 N ATOM 0 H GLN A 53 6.970 -4.739 9.573 1.00 1.00 H new ATOM 0 HA GLN A 53 5.415 -2.521 10.344 1.00 1.00 H new ATOM 0 HB2 GLN A 53 7.280 -3.977 11.570 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.365 -2.746 10.954 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.834 -0.974 11.963 1.00 1.00 H new ATOM 0 HG3 GLN A 53 5.885 -2.261 12.680 1.00 1.00 H new ATOM 0 HE21 GLN A 53 9.472 -1.682 12.344 1.00 1.00 H new ATOM 0 HE22 GLN A 53 9.801 -1.926 14.062 1.00 1.00 H new ATOM 736 N ALA A 54 8.037 -1.868 8.442 1.00 1.00 N ATOM 737 CA ALA A 54 8.628 -0.862 7.571 1.00 1.00 C ATOM 738 C ALA A 54 7.630 -0.451 6.501 1.00 1.00 C ATOM 739 O ALA A 54 7.655 0.679 6.013 1.00 1.00 O ATOM 740 CB ALA A 54 9.886 -1.418 6.907 1.00 1.00 C ATOM 0 H ALA A 54 8.529 -2.762 8.454 1.00 1.00 H new ATOM 0 HA ALA A 54 8.893 0.009 8.171 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.321 -0.658 6.258 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.609 -1.697 7.674 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.627 -2.296 6.315 1.00 1.00 H new ATOM 746 N LEU A 55 6.752 -1.378 6.141 1.00 1.00 N ATOM 747 CA LEU A 55 5.744 -1.098 5.123 1.00 1.00 C ATOM 748 C LEU A 55 4.868 0.070 5.560 1.00 1.00 C ATOM 749 O LEU A 55 4.537 0.945 4.760 1.00 1.00 O ATOM 750 CB LEU A 55 4.874 -2.335 4.882 1.00 1.00 C ATOM 751 CG LEU A 55 4.822 -2.635 3.383 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.951 -3.869 3.139 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.225 -1.437 2.642 1.00 1.00 C ATOM 0 H LEU A 55 6.715 -2.319 6.532 1.00 1.00 H new ATOM 0 HA LEU A 55 6.252 -0.836 4.195 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.281 -3.190 5.421 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.868 -2.166 5.265 1.00 1.00 H new ATOM 0 HG LEU A 55 5.831 -2.823 3.016 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.914 -4.083 2.071 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.375 -4.724 3.666 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.942 -3.681 3.507 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.188 -1.651 1.574 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.216 -1.248 3.009 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.845 -0.557 2.814 1.00 1.00 H new ATOM 765 N GLU A 56 4.505 0.081 6.838 1.00 1.00 N ATOM 766 CA GLU A 56 3.676 1.152 7.375 1.00 1.00 C ATOM 767 C GLU A 56 4.388 2.491 7.227 1.00 1.00 C ATOM 768 O GLU A 56 3.758 3.517 6.978 1.00 1.00 O ATOM 769 CB GLU A 56 3.373 0.889 8.851 1.00 1.00 C ATOM 770 CG GLU A 56 2.210 1.777 9.302 1.00 1.00 C ATOM 771 CD GLU A 56 2.273 1.994 10.809 1.00 1.00 C ATOM 772 OE1 GLU A 56 3.355 2.263 11.305 1.00 1.00 O ATOM 773 OE2 GLU A 56 1.237 1.888 11.446 1.00 1.00 O ATOM 0 H GLU A 56 4.769 -0.634 7.516 1.00 1.00 H new ATOM 0 HA GLU A 56 2.740 1.184 6.817 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.121 -0.161 9.000 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.256 1.094 9.456 1.00 1.00 H new ATOM 0 HG2 GLU A 56 2.253 2.736 8.786 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.261 1.312 9.033 1.00 1.00 H new ATOM 780 N ARG A 57 5.710 2.470 7.381 1.00 1.00 N ATOM 781 CA ARG A 57 6.501 3.687 7.261 1.00 1.00 C ATOM 782 C ARG A 57 6.315 4.321 5.886 1.00 1.00 C ATOM 783 O ARG A 57 6.098 5.526 5.772 1.00 1.00 O ATOM 784 CB ARG A 57 7.982 3.370 7.476 1.00 1.00 C ATOM 785 CG ARG A 57 8.505 4.154 8.678 1.00 1.00 C ATOM 786 CD ARG A 57 8.432 5.654 8.383 1.00 1.00 C ATOM 787 NE ARG A 57 7.616 6.321 9.391 1.00 1.00 N ATOM 788 CZ ARG A 57 7.830 7.589 9.731 1.00 1.00 C ATOM 789 NH1 ARG A 57 8.771 8.273 9.141 1.00 1.00 N ATOM 790 NH2 ARG A 57 7.097 8.148 10.655 1.00 1.00 N ATOM 0 H ARG A 57 6.250 1.630 7.587 1.00 1.00 H new ATOM 0 HA ARG A 57 6.161 4.390 8.021 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.115 2.301 7.641 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.553 3.629 6.584 1.00 1.00 H new ATOM 0 HG2 ARG A 57 7.915 3.918 9.564 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.534 3.865 8.894 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.435 6.081 8.375 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.007 5.818 7.393 1.00 1.00 H new ATOM 0 HE ARG A 57 6.864 5.803 9.846 1.00 1.00 H new ATOM 0 HH11 ARG A 57 9.343 7.836 8.419 1.00 1.00 H new ATOM 0 HH12 ARG A 57 8.935 9.245 9.402 1.00 1.00 H new ATOM 0 HH21 ARG A 57 6.361 7.613 11.116 1.00 1.00 H new ATOM 0 HH22 ARG A 57 7.260 9.120 10.917 1.00 1.00 H new ATOM 804 N LEU A 58 6.407 3.503 4.843 1.00 1.00 N ATOM 805 CA LEU A 58 6.247 4.003 3.482 1.00 1.00 C ATOM 806 C LEU A 58 4.907 4.711 3.335 1.00 1.00 C ATOM 807 O LEU A 58 4.824 5.835 2.855 1.00 1.00 O ATOM 808 CB LEU A 58 6.311 2.842 2.490 1.00 1.00 C ATOM 809 CG LEU A 58 6.872 3.318 1.143 1.00 1.00 C ATOM 810 CD1 LEU A 58 6.081 4.525 0.631 1.00 1.00 C ATOM 811 CD2 LEU A 58 8.352 3.703 1.278 1.00 1.00 C ATOM 0 H LEU A 58 6.589 2.502 4.912 1.00 1.00 H new ATOM 0 HA LEU A 58 7.052 4.708 3.275 1.00 1.00 H new ATOM 0 HB2 LEU A 58 6.939 2.047 2.892 1.00 1.00 H new ATOM 0 HB3 LEU A 58 5.315 2.421 2.348 1.00 1.00 H new ATOM 0 HG LEU A 58 6.780 2.497 0.432 1.00 1.00 H new ATOM 0 HD11 LEU A 58 6.492 4.850 -0.325 1.00 1.00 H new ATOM 0 HD12 LEU A 58 5.035 4.246 0.501 1.00 1.00 H new ATOM 0 HD13 LEU A 58 6.152 5.339 1.352 1.00 1.00 H new ATOM 0 HD21 LEU A 58 8.730 4.038 0.312 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.454 4.508 2.006 1.00 1.00 H new ATOM 0 HD23 LEU A 58 8.924 2.837 1.612 1.00 1.00 H new ATOM 823 N SER A 59 3.852 4.041 3.751 1.00 1.00 N ATOM 824 CA SER A 59 2.530 4.635 3.656 1.00 1.00 C ATOM 825 C SER A 59 2.489 5.935 4.458 1.00 1.00 C ATOM 826 O SER A 59 1.824 6.895 4.071 1.00 1.00 O ATOM 827 CB SER A 59 1.478 3.665 4.193 1.00 1.00 C ATOM 828 OG SER A 59 2.102 2.727 5.059 1.00 1.00 O ATOM 0 H SER A 59 3.879 3.103 4.151 1.00 1.00 H new ATOM 0 HA SER A 59 2.313 4.849 2.610 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.702 4.212 4.729 1.00 1.00 H new ATOM 0 HB3 SER A 59 0.990 3.147 3.368 1.00 1.00 H new ATOM 0 HG SER A 59 2.406 3.183 5.871 1.00 1.00 H new ATOM 834 N ARG A 60 3.198 5.950 5.585 1.00 1.00 N ATOM 835 CA ARG A 60 3.231 7.129 6.451 1.00 1.00 C ATOM 836 C ARG A 60 3.951 8.315 5.799 1.00 1.00 C ATOM 837 O ARG A 60 3.454 9.440 5.844 1.00 1.00 O ATOM 838 CB ARG A 60 3.933 6.776 7.765 1.00 1.00 C ATOM 839 CG ARG A 60 3.842 7.951 8.747 1.00 1.00 C ATOM 840 CD ARG A 60 3.861 7.413 10.177 1.00 1.00 C ATOM 841 NE ARG A 60 3.824 8.512 11.136 1.00 1.00 N ATOM 842 CZ ARG A 60 4.224 8.336 12.392 1.00 1.00 C ATOM 843 NH1 ARG A 60 4.667 7.172 12.779 1.00 1.00 N ATOM 844 NH2 ARG A 60 4.174 9.330 13.236 1.00 1.00 N ATOM 0 H ARG A 60 3.755 5.164 5.920 1.00 1.00 H new ATOM 0 HA ARG A 60 2.199 7.428 6.632 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.475 5.890 8.204 1.00 1.00 H new ATOM 0 HB3 ARG A 60 4.978 6.533 7.573 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.676 8.635 8.592 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.928 8.518 8.571 1.00 1.00 H new ATOM 0 HD2 ARG A 60 3.007 6.755 10.336 1.00 1.00 H new ATOM 0 HD3 ARG A 60 4.758 6.815 10.335 1.00 1.00 H new ATOM 0 HE ARG A 60 3.487 9.428 10.839 1.00 1.00 H new ATOM 0 HH11 ARG A 60 4.707 6.396 12.118 1.00 1.00 H new ATOM 0 HH12 ARG A 60 4.974 7.038 13.742 1.00 1.00 H new ATOM 0 HH21 ARG A 60 3.828 10.240 12.932 1.00 1.00 H new ATOM 0 HH22 ARG A 60 4.480 9.197 14.200 1.00 1.00 H new ATOM 858 N VAL A 61 5.126 8.074 5.218 1.00 1.00 N ATOM 859 CA VAL A 61 5.882 9.163 4.596 1.00 1.00 C ATOM 860 C VAL A 61 5.193 9.665 3.331 1.00 1.00 C ATOM 861 O VAL A 61 5.120 10.870 3.089 1.00 1.00 O ATOM 862 CB VAL A 61 7.328 8.729 4.285 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.369 7.783 3.084 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.173 9.966 3.973 1.00 1.00 C ATOM 0 H VAL A 61 5.568 7.156 5.164 1.00 1.00 H new ATOM 0 HA VAL A 61 5.917 9.985 5.311 1.00 1.00 H new ATOM 0 HB VAL A 61 7.725 8.208 5.156 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.400 7.492 2.885 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.776 6.894 3.300 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.960 8.288 2.209 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.196 9.662 3.753 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.755 10.484 3.110 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.171 10.635 4.834 1.00 1.00 H new ATOM 874 N ALA A 62 4.697 8.736 2.521 1.00 1.00 N ATOM 875 CA ALA A 62 4.024 9.098 1.277 1.00 1.00 C ATOM 876 C ALA A 62 2.988 10.197 1.513 1.00 1.00 C ATOM 877 O ALA A 62 2.785 11.061 0.661 1.00 1.00 O ATOM 878 CB ALA A 62 3.336 7.869 0.684 1.00 1.00 C ATOM 0 H ALA A 62 4.747 7.733 2.701 1.00 1.00 H new ATOM 0 HA ALA A 62 4.774 9.473 0.581 1.00 1.00 H new ATOM 0 HB1 ALA A 62 2.835 8.145 -0.244 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.080 7.099 0.480 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.602 7.486 1.392 1.00 1.00 H new ATOM 884 N LEU A 63 2.331 10.151 2.668 1.00 1.00 N ATOM 885 CA LEU A 63 1.309 11.142 2.994 1.00 1.00 C ATOM 886 C LEU A 63 1.926 12.518 3.233 1.00 1.00 C ATOM 887 O LEU A 63 1.237 13.534 3.139 1.00 1.00 O ATOM 888 CB LEU A 63 0.547 10.714 4.250 1.00 1.00 C ATOM 889 CG LEU A 63 -0.420 9.576 3.910 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.674 8.734 5.161 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.749 10.156 3.416 1.00 1.00 C ATOM 0 H LEU A 63 2.485 9.445 3.388 1.00 1.00 H new ATOM 0 HA LEU A 63 0.627 11.206 2.146 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.248 10.390 5.019 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.004 11.561 4.658 1.00 1.00 H new ATOM 0 HG LEU A 63 0.018 8.954 3.129 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.362 7.924 4.921 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.268 8.317 5.516 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.109 9.361 5.939 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.434 9.343 3.175 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.186 10.780 4.196 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.574 10.759 2.525 1.00 1.00 H new ATOM 903 N VAL A 64 3.215 12.544 3.558 1.00 1.00 N ATOM 904 CA VAL A 64 3.896 13.806 3.828 1.00 1.00 C ATOM 905 C VAL A 64 4.794 14.221 2.664 1.00 1.00 C ATOM 906 O VAL A 64 4.687 15.341 2.164 1.00 1.00 O ATOM 907 CB VAL A 64 4.733 13.682 5.103 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.694 15.008 5.864 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.152 12.577 5.988 1.00 1.00 C ATOM 0 H VAL A 64 3.804 11.715 3.640 1.00 1.00 H new ATOM 0 HA VAL A 64 3.134 14.575 3.958 1.00 1.00 H new ATOM 0 HB VAL A 64 5.762 13.438 4.841 1.00 1.00 H new ATOM 0 HG11 VAL A 64 5.289 14.923 6.773 1.00 1.00 H new ATOM 0 HG12 VAL A 64 5.101 15.800 5.236 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.663 15.247 6.126 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.747 12.488 6.897 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.124 12.824 6.251 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.171 11.631 5.448 1.00 1.00 H new ATOM 919 N ARG A 65 5.681 13.320 2.241 1.00 1.00 N ATOM 920 CA ARG A 65 6.593 13.624 1.139 1.00 1.00 C ATOM 921 C ARG A 65 6.611 12.501 0.110 1.00 1.00 C ATOM 922 O ARG A 65 7.496 11.646 0.123 1.00 1.00 O ATOM 923 CB ARG A 65 8.010 13.842 1.669 1.00 1.00 C ATOM 924 CG ARG A 65 8.079 15.177 2.415 1.00 1.00 C ATOM 925 CD ARG A 65 9.044 15.054 3.595 1.00 1.00 C ATOM 926 NE ARG A 65 8.518 14.115 4.579 1.00 1.00 N ATOM 927 CZ ARG A 65 9.092 13.975 5.770 1.00 1.00 C ATOM 928 NH1 ARG A 65 10.141 14.686 6.076 1.00 1.00 N ATOM 929 NH2 ARG A 65 8.606 13.125 6.633 1.00 1.00 N ATOM 0 H ARG A 65 5.787 12.387 2.638 1.00 1.00 H new ATOM 0 HA ARG A 65 6.236 14.534 0.657 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.289 13.026 2.336 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.722 13.837 0.844 1.00 1.00 H new ATOM 0 HG2 ARG A 65 8.412 15.966 1.740 1.00 1.00 H new ATOM 0 HG3 ARG A 65 7.088 15.459 2.770 1.00 1.00 H new ATOM 0 HD2 ARG A 65 10.019 14.716 3.243 1.00 1.00 H new ATOM 0 HD3 ARG A 65 9.193 16.030 4.056 1.00 1.00 H new ATOM 0 HE ARG A 65 7.696 13.556 4.350 1.00 1.00 H new ATOM 0 HH11 ARG A 65 10.522 15.350 5.402 1.00 1.00 H new ATOM 0 HH12 ARG A 65 10.581 14.578 6.990 1.00 1.00 H new ATOM 0 HH21 ARG A 65 7.786 12.568 6.394 1.00 1.00 H new ATOM 0 HH22 ARG A 65 9.047 13.018 7.547 1.00 1.00 H new ATOM 943 N ARG A 66 5.637 12.523 -0.791 1.00 1.00 N ATOM 944 CA ARG A 66 5.555 11.516 -1.840 1.00 1.00 C ATOM 945 C ARG A 66 6.807 11.551 -2.712 1.00 1.00 C ATOM 946 O ARG A 66 7.231 10.529 -3.251 1.00 1.00 O ATOM 947 CB ARG A 66 4.318 11.761 -2.707 1.00 1.00 C ATOM 948 CG ARG A 66 4.207 10.656 -3.759 1.00 1.00 C ATOM 949 CD ARG A 66 2.827 10.715 -4.416 1.00 1.00 C ATOM 950 NE ARG A 66 2.955 10.611 -5.866 1.00 1.00 N ATOM 951 CZ ARG A 66 1.994 11.048 -6.674 1.00 1.00 C ATOM 952 NH1 ARG A 66 0.912 11.578 -6.173 1.00 1.00 N ATOM 953 NH2 ARG A 66 2.133 10.947 -7.967 1.00 1.00 N ATOM 0 H ARG A 66 4.896 13.224 -0.816 1.00 1.00 H new ATOM 0 HA ARG A 66 5.478 10.535 -1.371 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.423 11.778 -2.086 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.388 12.735 -3.192 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.986 10.777 -4.512 1.00 1.00 H new ATOM 0 HG3 ARG A 66 4.360 9.681 -3.296 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.202 9.905 -4.040 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.331 11.649 -4.153 1.00 1.00 H new ATOM 0 HE ARG A 66 3.796 10.196 -6.266 1.00 1.00 H new ATOM 0 HH11 ARG A 66 0.804 11.657 -5.162 1.00 1.00 H new ATOM 0 HH12 ARG A 66 0.174 11.913 -6.793 1.00 1.00 H new ATOM 0 HH21 ARG A 66 2.979 10.533 -8.358 1.00 1.00 H new ATOM 0 HH22 ARG A 66 1.396 11.282 -8.587 1.00 1.00 H new ATOM 967 N ASP A 67 7.387 12.740 -2.853 1.00 1.00 N ATOM 968 CA ASP A 67 8.587 12.907 -3.672 1.00 1.00 C ATOM 969 C ASP A 67 9.701 11.977 -3.203 1.00 1.00 C ATOM 970 O ASP A 67 10.342 11.302 -4.005 1.00 1.00 O ATOM 971 CB ASP A 67 9.074 14.356 -3.608 1.00 1.00 C ATOM 972 CG ASP A 67 8.127 15.193 -2.753 1.00 1.00 C ATOM 973 OD1 ASP A 67 7.048 15.504 -3.228 1.00 1.00 O ATOM 974 OD2 ASP A 67 8.495 15.506 -1.633 1.00 1.00 O ATOM 0 H ASP A 67 7.050 13.597 -2.415 1.00 1.00 H new ATOM 0 HA ASP A 67 8.329 12.655 -4.701 1.00 1.00 H new ATOM 0 HB2 ASP A 67 10.080 14.391 -3.190 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.132 14.773 -4.614 1.00 1.00 H new ATOM 979 N ARG A 68 9.927 11.941 -1.898 1.00 1.00 N ATOM 980 CA ARG A 68 10.966 11.080 -1.345 1.00 1.00 C ATOM 981 C ARG A 68 10.540 9.618 -1.428 1.00 1.00 C ATOM 982 O ARG A 68 11.355 8.733 -1.686 1.00 1.00 O ATOM 983 CB ARG A 68 11.225 11.452 0.115 1.00 1.00 C ATOM 984 CG ARG A 68 12.216 12.616 0.187 1.00 1.00 C ATOM 985 CD ARG A 68 11.727 13.766 -0.698 1.00 1.00 C ATOM 986 NE ARG A 68 12.399 15.007 -0.323 1.00 1.00 N ATOM 987 CZ ARG A 68 11.891 16.190 -0.653 1.00 1.00 C ATOM 988 NH1 ARG A 68 10.776 16.257 -1.329 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.507 17.285 -0.301 1.00 1.00 N ATOM 0 H ARG A 68 9.413 12.490 -1.209 1.00 1.00 H new ATOM 0 HA ARG A 68 11.879 11.219 -1.924 1.00 1.00 H new ATOM 0 HB2 ARG A 68 10.289 11.729 0.600 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.621 10.591 0.654 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.318 12.956 1.218 1.00 1.00 H new ATOM 0 HG3 ARG A 68 13.202 12.287 -0.140 1.00 1.00 H new ATOM 0 HD2 ARG A 68 11.924 13.538 -1.746 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.648 13.882 -0.595 1.00 1.00 H new ATOM 0 HE ARG A 68 13.273 14.965 0.201 1.00 1.00 H new ATOM 0 HH11 ARG A 68 10.294 15.401 -1.604 1.00 1.00 H new ATOM 0 HH12 ARG A 68 10.387 17.165 -1.582 1.00 1.00 H new ATOM 0 HH21 ARG A 68 13.378 17.233 0.227 1.00 1.00 H new ATOM 0 HH22 ARG A 68 12.118 18.193 -0.554 1.00 1.00 H new ATOM 1003 N ALA A 69 9.256 9.381 -1.193 1.00 1.00 N ATOM 1004 CA ALA A 69 8.703 8.029 -1.222 1.00 1.00 C ATOM 1005 C ALA A 69 8.837 7.379 -2.600 1.00 1.00 C ATOM 1006 O ALA A 69 8.985 6.161 -2.703 1.00 1.00 O ATOM 1007 CB ALA A 69 7.225 8.081 -0.842 1.00 1.00 C ATOM 0 H ALA A 69 8.574 10.109 -0.979 1.00 1.00 H new ATOM 0 HA ALA A 69 9.268 7.427 -0.510 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.808 7.074 -0.862 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.121 8.496 0.160 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.689 8.710 -1.552 1.00 1.00 H new ATOM 1013 N GLN A 70 8.763 8.182 -3.654 1.00 1.00 N ATOM 1014 CA GLN A 70 8.857 7.644 -5.009 1.00 1.00 C ATOM 1015 C GLN A 70 10.292 7.247 -5.342 1.00 1.00 C ATOM 1016 O GLN A 70 10.525 6.290 -6.076 1.00 1.00 O ATOM 1017 CB GLN A 70 8.305 8.654 -6.027 1.00 1.00 C ATOM 1018 CG GLN A 70 9.412 9.581 -6.534 1.00 1.00 C ATOM 1019 CD GLN A 70 10.178 8.920 -7.676 1.00 1.00 C ATOM 1020 OE1 GLN A 70 9.867 7.794 -8.066 1.00 1.00 O ATOM 1021 NE2 GLN A 70 11.167 9.559 -8.241 1.00 1.00 N ATOM 0 H GLN A 70 8.640 9.193 -3.601 1.00 1.00 H new ATOM 0 HA GLN A 70 8.248 6.742 -5.064 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.858 8.122 -6.867 1.00 1.00 H new ATOM 0 HB3 GLN A 70 7.513 9.245 -5.566 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.980 10.522 -6.874 1.00 1.00 H new ATOM 0 HG3 GLN A 70 10.096 9.821 -5.720 1.00 1.00 H new ATOM 0 HE21 GLN A 70 11.423 10.492 -7.917 1.00 1.00 H new ATOM 0 HE22 GLN A 70 11.683 9.126 -9.007 1.00 1.00 H new ATOM 1030 N ALA A 71 11.252 7.989 -4.809 1.00 1.00 N ATOM 1031 CA ALA A 71 12.655 7.695 -5.067 1.00 1.00 C ATOM 1032 C ALA A 71 13.119 6.489 -4.246 1.00 1.00 C ATOM 1033 O ALA A 71 14.018 5.757 -4.660 1.00 1.00 O ATOM 1034 CB ALA A 71 13.509 8.914 -4.728 1.00 1.00 C ATOM 0 H ALA A 71 11.088 8.791 -4.201 1.00 1.00 H new ATOM 0 HA ALA A 71 12.769 7.455 -6.124 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.558 8.689 -4.923 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.199 9.758 -5.344 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.381 9.166 -3.675 1.00 1.00 H new ATOM 1040 N VAL A 72 12.507 6.291 -3.078 1.00 1.00 N ATOM 1041 CA VAL A 72 12.879 5.172 -2.209 1.00 1.00 C ATOM 1042 C VAL A 72 12.465 3.840 -2.825 1.00 1.00 C ATOM 1043 O VAL A 72 13.259 2.900 -2.896 1.00 1.00 O ATOM 1044 CB VAL A 72 12.203 5.320 -0.842 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.690 4.212 0.093 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.552 6.681 -0.236 1.00 1.00 C ATOM 0 H VAL A 72 11.760 6.883 -2.714 1.00 1.00 H new ATOM 0 HA VAL A 72 13.963 5.187 -2.091 1.00 1.00 H new ATOM 0 HB VAL A 72 11.123 5.245 -0.968 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.208 4.318 1.065 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.438 3.240 -0.332 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.771 4.286 0.213 1.00 1.00 H new ATOM 0 HG21 VAL A 72 12.069 6.781 0.736 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.632 6.759 -0.114 1.00 1.00 H new ATOM 0 HG23 VAL A 72 12.204 7.474 -0.898 1.00 1.00 H new ATOM 1056 N GLU A 73 11.219 3.763 -3.269 1.00 1.00 N ATOM 1057 CA GLU A 73 10.714 2.537 -3.878 1.00 1.00 C ATOM 1058 C GLU A 73 11.393 2.297 -5.222 1.00 1.00 C ATOM 1059 O GLU A 73 11.633 1.155 -5.612 1.00 1.00 O ATOM 1060 CB GLU A 73 9.195 2.613 -4.062 1.00 1.00 C ATOM 1061 CG GLU A 73 8.863 3.557 -5.214 1.00 1.00 C ATOM 1062 CD GLU A 73 8.879 2.800 -6.536 1.00 1.00 C ATOM 1063 OE1 GLU A 73 8.208 1.784 -6.625 1.00 1.00 O ATOM 1064 OE2 GLU A 73 9.558 3.250 -7.445 1.00 1.00 O ATOM 0 H GLU A 73 10.543 4.526 -3.221 1.00 1.00 H new ATOM 0 HA GLU A 73 10.942 1.704 -3.213 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.794 1.620 -4.265 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.725 2.965 -3.144 1.00 1.00 H new ATOM 0 HG2 GLU A 73 7.882 4.005 -5.055 1.00 1.00 H new ATOM 0 HG3 GLU A 73 9.585 4.373 -5.245 1.00 1.00 H new ATOM 1071 N THR A 74 11.705 3.383 -5.925 1.00 1.00 N ATOM 1072 CA THR A 74 12.362 3.272 -7.220 1.00 1.00 C ATOM 1073 C THR A 74 13.793 2.780 -7.041 1.00 1.00 C ATOM 1074 O THR A 74 14.351 2.124 -7.920 1.00 1.00 O ATOM 1075 CB THR A 74 12.370 4.631 -7.924 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.075 4.900 -8.445 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.388 4.611 -9.066 1.00 1.00 C ATOM 0 H THR A 74 11.515 4.338 -5.622 1.00 1.00 H new ATOM 0 HA THR A 74 11.811 2.556 -7.830 1.00 1.00 H new ATOM 0 HB THR A 74 12.644 5.408 -7.211 1.00 1.00 H new ATOM 0 HG1 THR A 74 10.534 4.083 -8.416 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.393 5.579 -9.566 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.380 4.405 -8.665 1.00 1.00 H new ATOM 0 HG23 THR A 74 13.117 3.834 -9.781 1.00 1.00 H new ATOM 1085 N TYR A 75 14.376 3.101 -5.891 1.00 1.00 N ATOM 1086 CA TYR A 75 15.741 2.684 -5.599 1.00 1.00 C ATOM 1087 C TYR A 75 15.812 1.166 -5.470 1.00 1.00 C ATOM 1088 O TYR A 75 16.672 0.523 -6.069 1.00 1.00 O ATOM 1089 CB TYR A 75 16.219 3.337 -4.300 1.00 1.00 C ATOM 1090 CG TYR A 75 17.550 2.753 -3.904 1.00 1.00 C ATOM 1091 CD1 TYR A 75 18.728 3.257 -4.468 1.00 1.00 C ATOM 1092 CD2 TYR A 75 17.610 1.709 -2.974 1.00 1.00 C ATOM 1093 CE1 TYR A 75 19.968 2.715 -4.103 1.00 1.00 C ATOM 1094 CE2 TYR A 75 18.848 1.167 -2.609 1.00 1.00 C ATOM 1095 CZ TYR A 75 20.026 1.670 -3.173 1.00 1.00 C ATOM 1096 OH TYR A 75 21.246 1.136 -2.812 1.00 1.00 O ATOM 0 H TYR A 75 13.929 3.644 -5.152 1.00 1.00 H new ATOM 0 HA TYR A 75 16.387 3.000 -6.418 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.308 4.415 -4.434 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.488 3.174 -3.508 1.00 1.00 H new ATOM 0 HD1 TYR A 75 18.681 4.064 -5.185 1.00 1.00 H new ATOM 0 HD2 TYR A 75 16.701 1.321 -2.538 1.00 1.00 H new ATOM 0 HE1 TYR A 75 20.877 3.103 -4.538 1.00 1.00 H new ATOM 0 HE2 TYR A 75 18.894 0.361 -1.892 1.00 1.00 H new ATOM 0 HH TYR A 75 21.109 0.420 -2.157 1.00 1.00 H new ATOM 1106 N LEU A 76 14.894 0.599 -4.692 1.00 1.00 N ATOM 1107 CA LEU A 76 14.860 -0.848 -4.498 1.00 1.00 C ATOM 1108 C LEU A 76 14.560 -1.553 -5.817 1.00 1.00 C ATOM 1109 O LEU A 76 15.161 -2.579 -6.135 1.00 1.00 O ATOM 1110 CB LEU A 76 13.778 -1.215 -3.480 1.00 1.00 C ATOM 1111 CG LEU A 76 13.959 -2.676 -3.039 1.00 1.00 C ATOM 1112 CD1 LEU A 76 15.207 -2.824 -2.155 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.727 -3.127 -2.249 1.00 1.00 C ATOM 0 H LEU A 76 14.170 1.113 -4.190 1.00 1.00 H new ATOM 0 HA LEU A 76 15.835 -1.168 -4.130 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.838 -0.554 -2.616 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.790 -1.077 -3.919 1.00 1.00 H new ATOM 0 HG LEU A 76 14.081 -3.295 -3.928 1.00 1.00 H new ATOM 0 HD11 LEU A 76 15.318 -3.866 -1.853 1.00 1.00 H new ATOM 0 HD12 LEU A 76 16.089 -2.513 -2.715 1.00 1.00 H new ATOM 0 HD13 LEU A 76 15.101 -2.199 -1.269 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.855 -4.163 -1.936 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.607 -2.494 -1.370 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.841 -3.045 -2.879 1.00 1.00 H new ATOM 1125 N LYS A 77 13.626 -0.992 -6.579 1.00 1.00 N ATOM 1126 CA LYS A 77 13.250 -1.568 -7.860 1.00 1.00 C ATOM 1127 C LYS A 77 14.463 -1.624 -8.786 1.00 1.00 C ATOM 1128 O LYS A 77 14.597 -2.543 -9.590 1.00 1.00 O ATOM 1129 CB LYS A 77 12.112 -0.736 -8.475 1.00 1.00 C ATOM 1130 CG LYS A 77 12.353 -0.485 -9.969 1.00 1.00 C ATOM 1131 CD LYS A 77 11.104 0.153 -10.580 1.00 1.00 C ATOM 1132 CE LYS A 77 11.496 1.420 -11.339 1.00 1.00 C ATOM 1133 NZ LYS A 77 12.448 1.071 -12.431 1.00 1.00 N ATOM 0 H LYS A 77 13.119 -0.143 -6.331 1.00 1.00 H new ATOM 0 HA LYS A 77 12.895 -2.589 -7.718 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.164 -1.256 -8.339 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.031 0.217 -7.952 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.214 0.169 -10.106 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.582 -1.423 -10.475 1.00 1.00 H new ATOM 0 HD2 LYS A 77 10.616 -0.551 -11.254 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.386 0.394 -9.796 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.608 1.897 -11.755 1.00 1.00 H new ATOM 0 HE3 LYS A 77 11.954 2.137 -10.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 12.380 1.779 -13.190 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 13.418 1.058 -12.055 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 12.211 0.132 -12.811 1.00 1.00 H new ATOM 1147 N LYS A 78 15.343 -0.636 -8.662 1.00 1.00 N ATOM 1148 CA LYS A 78 16.540 -0.588 -9.491 1.00 1.00 C ATOM 1149 C LYS A 78 17.440 -1.786 -9.194 1.00 1.00 C ATOM 1150 O LYS A 78 17.942 -2.440 -10.104 1.00 1.00 O ATOM 1151 CB LYS A 78 17.307 0.708 -9.225 1.00 1.00 C ATOM 1152 CG LYS A 78 17.945 1.205 -10.525 1.00 1.00 C ATOM 1153 CD LYS A 78 16.907 1.979 -11.340 1.00 1.00 C ATOM 1154 CE LYS A 78 17.151 1.743 -12.833 1.00 1.00 C ATOM 1155 NZ LYS A 78 18.611 1.823 -13.117 1.00 1.00 N ATOM 0 H LYS A 78 15.251 0.136 -8.001 1.00 1.00 H new ATOM 0 HA LYS A 78 16.239 -0.622 -10.538 1.00 1.00 H new ATOM 0 HB2 LYS A 78 16.633 1.466 -8.826 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.077 0.539 -8.472 1.00 1.00 H new ATOM 0 HG2 LYS A 78 18.799 1.845 -10.302 1.00 1.00 H new ATOM 0 HG3 LYS A 78 18.322 0.361 -11.103 1.00 1.00 H new ATOM 0 HD2 LYS A 78 15.902 1.656 -11.069 1.00 1.00 H new ATOM 0 HD3 LYS A 78 16.971 3.043 -11.114 1.00 1.00 H new ATOM 0 HE2 LYS A 78 16.766 0.766 -13.125 1.00 1.00 H new ATOM 0 HE3 LYS A 78 16.614 2.486 -13.422 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 18.758 2.168 -14.087 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 19.060 2.478 -12.445 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 19.036 0.879 -13.017 1.00 1.00 H new ATOM 1169 N LEU A 79 17.627 -2.070 -7.909 1.00 1.00 N ATOM 1170 CA LEU A 79 18.458 -3.198 -7.498 1.00 1.00 C ATOM 1171 C LEU A 79 17.781 -4.518 -7.862 1.00 1.00 C ATOM 1172 O LEU A 79 18.422 -5.435 -8.378 1.00 1.00 O ATOM 1173 CB LEU A 79 18.705 -3.150 -5.985 1.00 1.00 C ATOM 1174 CG LEU A 79 19.147 -1.743 -5.567 1.00 1.00 C ATOM 1175 CD1 LEU A 79 19.255 -1.675 -4.043 1.00 1.00 C ATOM 1176 CD2 LEU A 79 20.512 -1.420 -6.184 1.00 1.00 C ATOM 0 H LEU A 79 17.218 -1.540 -7.139 1.00 1.00 H new ATOM 0 HA LEU A 79 19.412 -3.130 -8.021 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.796 -3.427 -5.451 1.00 1.00 H new ATOM 0 HB3 LEU A 79 19.470 -3.876 -5.710 1.00 1.00 H new ATOM 0 HG LEU A 79 18.412 -1.019 -5.918 1.00 1.00 H new ATOM 0 HD11 LEU A 79 19.569 -0.675 -3.745 1.00 1.00 H new ATOM 0 HD12 LEU A 79 18.285 -1.898 -3.599 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.988 -2.404 -3.697 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.820 -0.419 -5.883 1.00 1.00 H new ATOM 0 HD22 LEU A 79 21.248 -2.145 -5.838 1.00 1.00 H new ATOM 0 HD23 LEU A 79 20.440 -1.466 -7.271 1.00 1.00 H new ATOM 1188 N ILE A 80 16.484 -4.609 -7.581 1.00 1.00 N ATOM 1189 CA ILE A 80 15.729 -5.825 -7.873 1.00 1.00 C ATOM 1190 C ILE A 80 15.580 -6.034 -9.378 1.00 1.00 C ATOM 1191 O ILE A 80 15.744 -7.146 -9.877 1.00 1.00 O ATOM 1192 CB ILE A 80 14.338 -5.739 -7.244 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.440 -5.985 -5.737 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.436 -6.801 -7.875 1.00 1.00 C ATOM 1195 CD1 ILE A 80 13.113 -5.624 -5.062 1.00 1.00 C ATOM 0 H ILE A 80 15.937 -3.861 -7.155 1.00 1.00 H new ATOM 0 HA ILE A 80 16.279 -6.667 -7.453 1.00 1.00 H new ATOM 0 HB ILE A 80 13.918 -4.749 -7.419 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.684 -7.030 -5.545 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.248 -5.387 -5.315 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.442 -6.745 -7.431 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.364 -6.626 -8.948 1.00 1.00 H new ATOM 0 HG23 ILE A 80 13.858 -7.790 -7.696 1.00 1.00 H new ATOM 0 HD11 ILE A 80 13.191 -5.801 -3.989 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.888 -4.573 -5.241 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.315 -6.241 -5.475 1.00 1.00 H new ATOM 1207 N ALA A 81 15.254 -4.962 -10.091 1.00 1.00 N ATOM 1208 CA ALA A 81 15.069 -5.048 -11.536 1.00 1.00 C ATOM 1209 C ALA A 81 16.406 -5.239 -12.243 1.00 1.00 C ATOM 1210 O ALA A 81 16.497 -5.971 -13.229 1.00 1.00 O ATOM 1211 CB ALA A 81 14.397 -3.774 -12.053 1.00 1.00 C ATOM 0 H ALA A 81 15.113 -4.031 -9.698 1.00 1.00 H new ATOM 0 HA ALA A 81 14.435 -5.909 -11.748 1.00 1.00 H new ATOM 0 HB1 ALA A 81 14.262 -3.846 -13.132 1.00 1.00 H new ATOM 0 HB2 ALA A 81 13.426 -3.655 -11.573 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.024 -2.913 -11.822 1.00 1.00 H new ATOM 1306 N LYS A 88 15.455 -7.666 2.494 1.00 1.00 N ATOM 1307 CA LYS A 88 14.145 -7.027 2.499 1.00 1.00 C ATOM 1308 C LYS A 88 14.227 -5.654 3.154 1.00 1.00 C ATOM 1309 O LYS A 88 14.489 -5.541 4.350 1.00 1.00 O ATOM 1310 CB LYS A 88 13.143 -7.900 3.258 1.00 1.00 C ATOM 1311 CG LYS A 88 13.025 -9.260 2.568 1.00 1.00 C ATOM 1312 CD LYS A 88 12.891 -10.361 3.623 1.00 1.00 C ATOM 1313 CE LYS A 88 14.272 -10.694 4.195 1.00 1.00 C ATOM 1314 NZ LYS A 88 14.811 -11.906 3.514 1.00 1.00 N ATOM 0 HA LYS A 88 13.812 -6.907 1.468 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.468 -8.031 4.290 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.169 -7.411 3.290 1.00 1.00 H new ATOM 0 HG2 LYS A 88 12.159 -9.269 1.906 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.903 -9.442 1.948 1.00 1.00 H new ATOM 0 HD2 LYS A 88 12.224 -10.035 4.421 1.00 1.00 H new ATOM 0 HD3 LYS A 88 12.445 -11.251 3.180 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.949 -9.852 4.053 1.00 1.00 H new ATOM 0 HE3 LYS A 88 14.201 -10.868 5.269 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 15.749 -12.134 3.901 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 14.168 -12.708 3.671 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 14.893 -11.723 2.493 1.00 1.00 H new ATOM 1328 N ILE A 89 14.003 -4.613 2.361 1.00 1.00 N ATOM 1329 CA ILE A 89 14.057 -3.252 2.875 1.00 1.00 C ATOM 1330 C ILE A 89 13.362 -3.170 4.233 1.00 1.00 C ATOM 1331 O ILE A 89 12.350 -3.831 4.462 1.00 1.00 O ATOM 1332 CB ILE A 89 13.409 -2.290 1.859 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.510 -1.422 1.240 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.362 -1.385 2.536 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.925 -0.533 0.143 1.00 1.00 C ATOM 0 H ILE A 89 13.784 -4.685 1.367 1.00 1.00 H new ATOM 0 HA ILE A 89 15.097 -2.959 3.015 1.00 1.00 H new ATOM 0 HB ILE A 89 12.902 -2.875 1.092 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.973 -0.805 2.010 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.294 -2.056 0.825 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.923 -0.718 1.794 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.579 -2.002 2.978 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.842 -0.794 3.316 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.716 0.079 -0.290 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.483 -1.157 -0.634 1.00 1.00 H new ATOM 0 HD13 ILE A 89 13.158 0.114 0.569 1.00 1.00 H new ATOM 1347 N THR A 90 13.914 -2.347 5.120 1.00 1.00 N ATOM 1348 CA THR A 90 13.346 -2.171 6.453 1.00 1.00 C ATOM 1349 C THR A 90 13.007 -0.703 6.694 1.00 1.00 C ATOM 1350 O THR A 90 13.290 0.154 5.856 1.00 1.00 O ATOM 1351 CB THR A 90 14.339 -2.649 7.515 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.530 -1.879 7.428 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.664 -4.125 7.284 1.00 1.00 C ATOM 0 H THR A 90 14.751 -1.793 4.941 1.00 1.00 H new ATOM 0 HA THR A 90 12.433 -2.763 6.522 1.00 1.00 H new ATOM 0 HB THR A 90 13.900 -2.528 8.505 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.166 -2.183 8.109 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.371 -4.465 8.041 1.00 1.00 H new ATOM 0 HG22 THR A 90 13.749 -4.714 7.352 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.104 -4.250 6.294 1.00 1.00 H new ATOM 1361 N GLU A 91 12.407 -0.421 7.844 1.00 1.00 N ATOM 1362 CA GLU A 91 12.039 0.948 8.190 1.00 1.00 C ATOM 1363 C GLU A 91 13.278 1.828 8.225 1.00 1.00 C ATOM 1364 O GLU A 91 13.219 3.028 7.950 1.00 1.00 O ATOM 1365 CB GLU A 91 11.355 0.976 9.558 1.00 1.00 C ATOM 1366 CG GLU A 91 12.409 0.896 10.664 1.00 1.00 C ATOM 1367 CD GLU A 91 11.759 0.454 11.969 1.00 1.00 C ATOM 1368 OE1 GLU A 91 10.953 1.207 12.490 1.00 1.00 O ATOM 1369 OE2 GLU A 91 12.068 -0.635 12.425 1.00 1.00 O ATOM 0 H GLU A 91 12.166 -1.117 8.550 1.00 1.00 H new ATOM 0 HA GLU A 91 11.350 1.327 7.435 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.771 1.890 9.665 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.659 0.141 9.644 1.00 1.00 H new ATOM 0 HG2 GLU A 91 13.192 0.193 10.381 1.00 1.00 H new ATOM 0 HG3 GLU A 91 12.885 1.868 10.796 1.00 1.00 H new ATOM 1376 N ALA A 92 14.401 1.214 8.569 1.00 1.00 N ATOM 1377 CA ALA A 92 15.669 1.927 8.649 1.00 1.00 C ATOM 1378 C ALA A 92 16.219 2.186 7.253 1.00 1.00 C ATOM 1379 O ALA A 92 16.880 3.193 7.008 1.00 1.00 O ATOM 1380 CB ALA A 92 16.681 1.111 9.455 1.00 1.00 C ATOM 0 H ALA A 92 14.460 0.222 8.798 1.00 1.00 H new ATOM 0 HA ALA A 92 15.498 2.882 9.147 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.625 1.653 9.509 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.298 0.949 10.462 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.842 0.149 8.969 1.00 1.00 H new ATOM 1386 N GLU A 93 15.942 1.267 6.339 1.00 1.00 N ATOM 1387 CA GLU A 93 16.412 1.409 4.970 1.00 1.00 C ATOM 1388 C GLU A 93 15.587 2.456 4.226 1.00 1.00 C ATOM 1389 O GLU A 93 16.121 3.227 3.431 1.00 1.00 O ATOM 1390 CB GLU A 93 16.320 0.069 4.245 1.00 1.00 C ATOM 1391 CG GLU A 93 17.194 -0.962 4.959 1.00 1.00 C ATOM 1392 CD GLU A 93 18.236 -1.519 3.996 1.00 1.00 C ATOM 1393 OE1 GLU A 93 19.271 -0.889 3.844 1.00 1.00 O ATOM 1394 OE2 GLU A 93 17.983 -2.563 3.419 1.00 1.00 O ATOM 0 H GLU A 93 15.399 0.422 6.519 1.00 1.00 H new ATOM 0 HA GLU A 93 17.452 1.735 4.994 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.285 -0.272 4.220 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.644 0.181 3.210 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.687 -0.502 5.815 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.574 -1.771 5.345 1.00 1.00 H new ATOM 1401 N ILE A 94 14.281 2.476 4.485 1.00 1.00 N ATOM 1402 CA ILE A 94 13.399 3.432 3.821 1.00 1.00 C ATOM 1403 C ILE A 94 13.697 4.853 4.287 1.00 1.00 C ATOM 1404 O ILE A 94 13.827 5.768 3.475 1.00 1.00 O ATOM 1405 CB ILE A 94 11.938 3.084 4.127 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.441 2.053 3.112 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.065 4.340 4.036 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.287 1.248 3.717 1.00 1.00 C ATOM 0 H ILE A 94 13.815 1.849 5.141 1.00 1.00 H new ATOM 0 HA ILE A 94 13.571 3.376 2.746 1.00 1.00 H new ATOM 0 HB ILE A 94 11.874 2.676 5.136 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.110 2.554 2.202 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.255 1.385 2.830 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.029 4.080 4.255 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.414 5.079 4.757 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.129 4.756 3.031 1.00 1.00 H new ATOM 0 HD11 ILE A 94 9.935 0.515 2.991 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.633 0.734 4.614 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.470 1.922 3.977 1.00 1.00 H new ATOM 1420 N VAL A 95 13.819 5.029 5.598 1.00 1.00 N ATOM 1421 CA VAL A 95 14.118 6.341 6.156 1.00 1.00 C ATOM 1422 C VAL A 95 15.531 6.761 5.778 1.00 1.00 C ATOM 1423 O VAL A 95 15.794 7.924 5.476 1.00 1.00 O ATOM 1424 CB VAL A 95 13.957 6.322 7.682 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.225 5.789 8.352 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.679 7.742 8.181 1.00 1.00 C ATOM 0 H VAL A 95 13.716 4.286 6.289 1.00 1.00 H new ATOM 0 HA VAL A 95 13.415 7.065 5.744 1.00 1.00 H new ATOM 0 HB VAL A 95 13.124 5.667 7.937 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.090 5.784 9.434 1.00 1.00 H new ATOM 0 HG12 VAL A 95 15.420 4.774 8.006 1.00 1.00 H new ATOM 0 HG13 VAL A 95 16.069 6.429 8.095 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.564 7.731 9.265 1.00 1.00 H new ATOM 0 HG22 VAL A 95 14.511 8.392 7.911 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.763 8.116 7.723 1.00 1.00 H new ATOM 1436 N SER A 96 16.438 5.796 5.823 1.00 1.00 N ATOM 1437 CA SER A 96 17.841 6.052 5.506 1.00 1.00 C ATOM 1438 C SER A 96 17.993 6.601 4.091 1.00 1.00 C ATOM 1439 O SER A 96 18.715 7.574 3.870 1.00 1.00 O ATOM 1440 CB SER A 96 18.653 4.765 5.642 1.00 1.00 C ATOM 1441 OG SER A 96 19.927 4.946 5.035 1.00 1.00 O ATOM 0 H SER A 96 16.231 4.830 6.075 1.00 1.00 H new ATOM 0 HA SER A 96 18.214 6.796 6.210 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.772 4.506 6.694 1.00 1.00 H new ATOM 0 HB3 SER A 96 18.126 3.937 5.168 1.00 1.00 H new ATOM 0 HG SER A 96 20.451 4.122 5.122 1.00 1.00 H new ATOM 1447 N ILE A 97 17.309 5.981 3.137 1.00 1.00 N ATOM 1448 CA ILE A 97 17.381 6.430 1.753 1.00 1.00 C ATOM 1449 C ILE A 97 16.623 7.747 1.599 1.00 1.00 C ATOM 1450 O ILE A 97 17.046 8.637 0.862 1.00 1.00 O ATOM 1451 CB ILE A 97 16.794 5.364 0.821 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.575 4.056 0.985 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.899 5.827 -0.631 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.704 2.879 0.542 1.00 1.00 C ATOM 0 H ILE A 97 16.704 5.175 3.294 1.00 1.00 H new ATOM 0 HA ILE A 97 18.425 6.589 1.482 1.00 1.00 H new ATOM 0 HB ILE A 97 15.746 5.206 1.078 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.488 4.089 0.391 1.00 1.00 H new ATOM 0 HG13 ILE A 97 17.875 3.928 2.025 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.480 5.064 -1.287 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.346 6.758 -0.757 1.00 1.00 H new ATOM 0 HG23 ILE A 97 17.946 5.990 -0.886 1.00 1.00 H new ATOM 0 HD11 ILE A 97 17.261 1.950 0.659 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.803 2.842 1.155 1.00 1.00 H new ATOM 0 HD13 ILE A 97 16.426 3.006 -0.504 1.00 1.00 H new ATOM 1466 N LEU A 98 15.504 7.859 2.309 1.00 1.00 N ATOM 1467 CA LEU A 98 14.690 9.069 2.258 1.00 1.00 C ATOM 1468 C LEU A 98 15.542 10.290 2.590 1.00 1.00 C ATOM 1469 O LEU A 98 15.504 11.298 1.885 1.00 1.00 O ATOM 1470 CB LEU A 98 13.550 8.952 3.273 1.00 1.00 C ATOM 1471 CG LEU A 98 12.783 10.273 3.365 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.279 9.990 3.424 1.00 1.00 C ATOM 1473 CD2 LEU A 98 13.199 11.020 4.637 1.00 1.00 C ATOM 0 H LEU A 98 15.142 7.130 2.924 1.00 1.00 H new ATOM 0 HA LEU A 98 14.282 9.184 1.254 1.00 1.00 H new ATOM 0 HB2 LEU A 98 12.873 8.150 2.979 1.00 1.00 H new ATOM 0 HB3 LEU A 98 13.951 8.688 4.251 1.00 1.00 H new ATOM 0 HG LEU A 98 13.010 10.881 2.489 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.734 10.932 3.490 1.00 1.00 H new ATOM 0 HD12 LEU A 98 10.974 9.456 2.524 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.057 9.381 4.300 1.00 1.00 H new ATOM 0 HD21 LEU A 98 12.652 11.961 4.702 1.00 1.00 H new ATOM 0 HD22 LEU A 98 12.972 10.407 5.509 1.00 1.00 H new ATOM 0 HD23 LEU A 98 14.269 11.224 4.606 1.00 1.00 H new ATOM 1485 N ASN A 99 16.310 10.186 3.668 1.00 1.00 N ATOM 1486 CA ASN A 99 17.175 11.278 4.093 1.00 1.00 C ATOM 1487 C ASN A 99 18.263 11.539 3.055 1.00 1.00 C ATOM 1488 O ASN A 99 18.692 12.677 2.862 1.00 1.00 O ATOM 1489 CB ASN A 99 17.815 10.941 5.440 1.00 1.00 C ATOM 1490 CG ASN A 99 17.803 12.169 6.343 1.00 1.00 C ATOM 1491 OD1 ASN A 99 17.912 13.295 5.857 1.00 1.00 O ATOM 1492 ND2 ASN A 99 17.682 12.021 7.634 1.00 1.00 N ATOM 0 H ASN A 99 16.351 9.358 4.262 1.00 1.00 H new ATOM 0 HA ASN A 99 16.569 12.178 4.195 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.273 10.124 5.916 1.00 1.00 H new ATOM 0 HB3 ASN A 99 18.839 10.599 5.290 1.00 1.00 H new ATOM 0 HD21 ASN A 99 17.678 12.839 8.243 1.00 1.00 H new ATOM 0 HD22 ASN A 99 17.592 11.087 8.034 1.00 1.00 H new ATOM 1499 N GLY A 100 18.707 10.476 2.393 1.00 1.00 N ATOM 1500 CA GLY A 100 19.748 10.599 1.377 1.00 1.00 C ATOM 1501 C GLY A 100 19.212 11.292 0.129 1.00 1.00 C ATOM 1502 O GLY A 100 19.934 12.030 -0.541 1.00 1.00 O ATOM 0 H GLY A 100 18.366 9.526 2.539 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.589 11.164 1.779 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.125 9.610 1.115 1.00 1.00 H new ATOM 1506 N ILE A 101 17.941 11.049 -0.176 1.00 1.00 N ATOM 1507 CA ILE A 101 17.314 11.655 -1.345 1.00 1.00 C ATOM 1508 C ILE A 101 17.003 13.126 -1.086 1.00 1.00 C ATOM 1509 O ILE A 101 17.105 13.959 -1.987 1.00 1.00 O ATOM 1510 CB ILE A 101 16.025 10.901 -1.685 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.378 9.611 -2.431 1.00 1.00 C ATOM 1512 CG2 ILE A 101 15.127 11.771 -2.572 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.426 8.496 -1.999 1.00 1.00 C ATOM 0 H ILE A 101 17.328 10.440 0.367 1.00 1.00 H new ATOM 0 HA ILE A 101 18.005 11.592 -2.186 1.00 1.00 H new ATOM 0 HB ILE A 101 15.494 10.663 -0.763 1.00 1.00 H new ATOM 0 HG12 ILE A 101 16.306 9.769 -3.507 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.409 9.326 -2.219 1.00 1.00 H new ATOM 0 HG21 ILE A 101 14.213 11.227 -2.809 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.875 12.691 -2.044 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.653 12.015 -3.495 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.677 7.578 -2.530 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.521 8.332 -0.926 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.401 8.782 -2.233 1.00 1.00 H new ATOM 1525 N ALA A 102 16.626 13.438 0.150 1.00 1.00 N ATOM 1526 CA ALA A 102 16.305 14.812 0.511 1.00 1.00 C ATOM 1527 C ALA A 102 17.515 15.716 0.298 1.00 1.00 C ATOM 1528 O ALA A 102 17.372 16.906 0.014 1.00 1.00 O ATOM 1529 CB ALA A 102 15.869 14.879 1.976 1.00 1.00 C ATOM 0 H ALA A 102 16.536 12.765 0.911 1.00 1.00 H new ATOM 0 HA ALA A 102 15.490 15.155 -0.126 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.631 15.910 2.238 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.988 14.254 2.122 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.678 14.520 2.613 1.00 1.00 H new ATOM 1535 N LYS A 103 18.706 15.143 0.431 1.00 1.00 N ATOM 1536 CA LYS A 103 19.936 15.905 0.248 1.00 1.00 C ATOM 1537 C LYS A 103 20.222 16.110 -1.236 1.00 1.00 C ATOM 1538 O LYS A 103 20.589 17.206 -1.662 1.00 1.00 O ATOM 1539 CB LYS A 103 21.109 15.169 0.898 1.00 1.00 C ATOM 1540 CG LYS A 103 22.420 15.865 0.525 1.00 1.00 C ATOM 1541 CD LYS A 103 23.529 15.413 1.477 1.00 1.00 C ATOM 1542 CE LYS A 103 24.889 15.802 0.896 1.00 1.00 C ATOM 1543 NZ LYS A 103 25.752 16.355 1.978 1.00 1.00 N ATOM 0 H LYS A 103 18.846 14.160 0.663 1.00 1.00 H new ATOM 0 HA LYS A 103 19.812 16.879 0.722 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.988 15.155 1.981 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.129 14.131 0.566 1.00 1.00 H new ATOM 0 HG2 LYS A 103 22.690 15.627 -0.504 1.00 1.00 H new ATOM 0 HG3 LYS A 103 22.298 16.947 0.580 1.00 1.00 H new ATOM 0 HD2 LYS A 103 23.394 15.875 2.455 1.00 1.00 H new ATOM 0 HD3 LYS A 103 23.479 14.334 1.624 1.00 1.00 H new ATOM 0 HE2 LYS A 103 25.366 14.932 0.445 1.00 1.00 H new ATOM 0 HE3 LYS A 103 24.761 16.541 0.105 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 26.677 16.620 1.583 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 25.298 17.195 2.389 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 25.884 15.636 2.718 1.00 1.00 H new ATOM 1557 N GLN A 104 20.054 15.049 -2.020 1.00 1.00 N ATOM 1558 CA GLN A 104 20.298 15.124 -3.455 1.00 1.00 C ATOM 1559 C GLN A 104 19.365 16.139 -4.106 1.00 1.00 C ATOM 1560 O GLN A 104 19.816 17.090 -4.743 1.00 1.00 O ATOM 1561 CB GLN A 104 20.086 13.749 -4.094 1.00 1.00 C ATOM 1562 CG GLN A 104 21.087 12.753 -3.506 1.00 1.00 C ATOM 1563 CD GLN A 104 22.220 12.506 -4.497 1.00 1.00 C ATOM 1564 OE1 GLN A 104 22.981 13.422 -4.811 1.00 1.00 O ATOM 1565 NE2 GLN A 104 22.378 11.317 -5.010 1.00 1.00 N ATOM 0 H GLN A 104 19.752 14.133 -1.688 1.00 1.00 H new ATOM 0 HA GLN A 104 21.328 15.443 -3.612 1.00 1.00 H new ATOM 0 HB2 GLN A 104 19.067 13.406 -3.914 1.00 1.00 H new ATOM 0 HB3 GLN A 104 20.214 13.815 -5.174 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.490 13.139 -2.570 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.585 11.814 -3.274 1.00 1.00 H new ATOM 0 HE21 GLN A 104 21.746 10.560 -4.748 1.00 1.00 H new ATOM 0 HE22 GLN A 104 23.133 11.144 -5.673 1.00 1.00 H new